A0A087YE09_POEFO Loading...

SLIT and NTRK like family member 5

AlphaFold DB , UniProt , Accession A0A087YE09, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 805 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
1N54.7Low73.7Confident144 Ų14476.4 Ų76.477%0.7740%0.402SS*.  083.30179.267000107.8R7N1-R7 PolarHBondContact OD1-NE 3.13Å; N1-R7 PolarHBondContact OD1-NH2 3.1Å
2Y65.8Low75Confident84 Ų8472.5 Ų72.533%0.32939%0.385SS..  trans-99.91-150.9-50.9-83.9000115E14 L19 F39Y2-E14 WeakPolarHBondContact CE1-OE2 2.99Å; Y2-E14 PolarHBondContact OH-OE2 3.37Å; Y2-L19 HydrophobicContact CD1-CD1 3.96Å; Y2-L19 HydrophobicContact CD1-CD2 4.19Å; Y2-L19 HydrophobicContact CD2-CD1 4.12Å; Y2-L19 HydrophobicContact CE1-CD1 4Å; Y2-L19 HydrophobicContact CE2-CD1 4.19Å; Y2-L19 HydrophobicContact CG-CD1 4.01Å; Y2-L19 HydrophobicContact CG-CD2 4.19Å; Y2-F39 AromaticContact CD1-CD2 3.9Å; Y2-F39 HydrophobicContact CD1-CD2 3.9Å; Y2-F39 HydrophobicContact CD1-CE2 4.31Å; Y2-F39 HydrophobicContact CE1-CD2 4.03Å; Y2-F39 AromaticContact CE1-CE2 3.95Å; Y2-F39 HydrophobicContact CE1-CE2 3.95Å
3G64.1Low75.9Confident26 Ų2673.8 Ų73.827%0.26839%0.392SS..  trans145.5-173.2-176.500000110.9
4E70.9Confident76.7Confident136 Ų13674.5 Ų74.564%0.63639%0.392SS*.SBendtrans-86.7-34.6173.3-62.1-161.7132.600112.2C6 R7 S8E4-C6 VanDerWaalsContact C-N 3.26Å; E4-C6 PolarHBondContact O-N 3.32Å; E4-R7 WeakPolarHBondContact O-CA 3.48Å; E4-R7 WeakPolarHBondContact O-CB 3.33Å; E4-R7 PolarHBondContact O-N 2.84Å; E4-S8 PolarHBondContact O-N 3.16Å; E4-S8 PolarHBondContact O-OG 3.39Å
5I80Confident76.9Confident6 Ų676.7 Ų76.73%0.03140%0.397CS..Hα-helixtrans-37.8-53.3166.2-178.8-174.8000113.1R7 S8 L9 C10 V21 I34 S35 V37I5-R7 PolarHBondContact O-N 3.14Å; I5-R7 VanDerWaalsContact O-N 3.17Å; I5-S8 PolarHBondContact O-N 3.46Å; I5-L9 PolarHBondContact O-N 3.27Å; I5-L9 VanDerWaalsContact O-N 3.1Å; I5-C10 HydrophobicContact CD1-CB 4.39Å; I5-C10 HydrophobicContact CG1-CB 3.84Å; I5-C10 VanDerWaalsContact CG1-SG 3.53Å; I5-C10 PolarHBondContact O-N 2.82Å; I5-V21 HydrophobicContact CD1-CG1 3.59Å; I5-V21 HydrophobicContact CG1-CG1 4.44Å; I5-I34 HydrophobicContact CD1-CG2 3.38Å; I5-I34 HydrophobicContact CG1-CG2 4.03Å; I5-S35 WeakPolarHBondContact CB-OG 3.37Å; I5-S35 VanDerWaalsContact CG2-OG 3.32Å; I5-S35 WeakPolarHBondContact CG2-OG 3.48Å; I5-S35 PolarHBondContact N-OG 3.49Å; I5-V37 HydrophobicContact CD1-CG2 4.01Å; I5-V37 HydrophobicContact CG2-CG2 3.54Å
6C79.6Confident76.9Confident29 Ų2983 Ų8320%0.19642%0.424CS..Hα-helixtrans-74.64.7-178.8-61.20000115.1E4 C12E4-C6 VanDerWaalsContact C-N 3.26Å; E4-C6 PolarHBondContact O-N 3.32Å; C6-C12 WeakPolarHBondContact CA-SG 3.43Å; C6-C12 HydrophobicContact CB-CB 3.59Å; C6-C12 WeakPolarHBondContact CB-SG 3.49Å; C6-C12 WeakPolarHBondContact SG-CB 3.27Å; C6-C12 CovalentContact SG-SG 2.03Å; C6-C12 PolarHBondContact SG-SG 3.1Å
7R71.4Confident77.2Confident167 Ų16780.5 Ų80.563%0.6342%0.424SS*.Hα-helixtrans-114.3-17.1178.7-64.4174.1168.9-173.2-6.7113.1N1 E4 I5N1-R7 PolarHBondContact OD1-NE 3.13Å; N1-R7 PolarHBondContact OD1-NH2 3.1Å; E4-R7 WeakPolarHBondContact O-CA 3.48Å; E4-R7 WeakPolarHBondContact O-CB 3.33Å; E4-R7 PolarHBondContact O-N 2.84Å; I5-R7 PolarHBondContact O-N 3.14Å; I5-R7 VanDerWaalsContact O-N 3.17Å
8S70.6Confident77.4Confident98 Ų9879.4 Ų79.469%0.68542%0.417SS*.Hα-helixtrans-142.6-38.3-166.858.30000115E4 I5E4-S8 PolarHBondContact O-N 3.16Å; E4-S8 PolarHBondContact O-OG 3.39Å; I5-S8 PolarHBondContact O-N 3.46Å
9L79.6Confident78Confident57 Ų5775.2 Ų75.230%0.29840%0.395SS..THydrogen-bonded Turntrans-108.1-42.9-169.7-145.185.5000112.8I5 I28 I34I5-L9 PolarHBondContact O-N 3.27Å; I5-L9 VanDerWaalsContact O-N 3.1Å; L9-I28 HydrophobicContact CD2-CD1 3.91Å; L9-I28 HydrophobicContact CD2-CG1 4.18Å; L9-I34 HydrophobicContact CD2-CG1 4.38Å
10C86.8Confident78.5Confident9 Ų973.5 Ų73.56%0.06139%0.388CS..SBendtrans-128.1150.8-170.4-49.70000111.7I5 V21 S22 C23I5-C10 HydrophobicContact CD1-CB 4.39Å; I5-C10 HydrophobicContact CG1-CB 3.84Å; I5-C10 VanDerWaalsContact CG1-SG 3.53Å; I5-C10 PolarHBondContact O-N 2.82Å; C10-V21 HydrophobicContact CB-CG1 4.22Å; C10-S22 CarbonylContact C-O 3.49Å; C10-S22 WeakPolarHBondContact CA-O 3.36Å; C10-S22 VanDerWaalsContact CB-O 3.27Å; C10-S22 WeakPolarHBondContact CB-O 3.48Å; C10-C23 HydrophobicContact CB-CB 3.99Å; C10-C23 WeakPolarHBondContact CB-SG 3.43Å; C10-C23 VanDerWaalsContact SG-CA 3.52Å; C10-C23 WeakPolarHBondContact SG-CB 3.41Å; C10-C23 CovalentContact SG-SG 2.03Å; C10-C23 PolarHBondContact SG-SG 3.17Å
11T87.1Confident79.1Confident84 Ų8470 Ų7052%0.51537%0.37SS..EExtended strand (participates in β ladder)trans-80.5135.2171.6-40.20000108.6V21 S22 R26T11-V21 CarbonylContact O-C 3.1Å; T11-V21 WeakPolarHBondContact O-CA 3.39Å; T11-S22 PolarHBondContact N-O 3.44Å; T11-S22 PolarHBondContact O-N 3.25Å; T11-R26 PolarHBondContact OG1-NH2 2.93Å
12C89.6Confident80.6Confident30 Ų3064.3 Ų64.320%0.20334%0.341CS..EExtended strand (participates in β ladder)trans-131.3126.3177.3-59.20000111C6 L19 T20C6-C12 WeakPolarHBondContact CA-SG 3.43Å; C6-C12 HydrophobicContact CB-CB 3.59Å; C6-C12 WeakPolarHBondContact CB-SG 3.49Å; C6-C12 WeakPolarHBondContact SG-CB 3.27Å; C6-C12 CovalentContact SG-SG 2.03Å; C6-C12 PolarHBondContact SG-SG 3.1Å; C12-L19 HydrophobicContact CB-CD1 4.37Å; C12-T20 VanDerWaalsContact CA-O 3.28Å; C12-T20 WeakPolarHBondContact CA-O 3.35Å
13D86.4Confident81.8Confident89 Ų8960.3 Ų60.348%0.47633%0.326SS..EExtended strand (participates in β ladder)trans-128142.8178.7-173.126.5000110.5L19 T20D13-L19 CarbonylContact O-C 3.36Å; D13-L19 WeakPolarHBondContact O-CA 3.03Å; D13-L19 WeakPolarHBondContact O-CD1 3.2Å; D13-T20 PolarHBondContact N-O 3.39Å; D13-T20 PolarHBondContact O-N 2.99Å
14E87.8Confident82.8Confident84 Ų8461.9 Ų61.939%0.39333%0.326SS..EExtended strand (participates in β ladder)trans-117.8112.8-177.9-168.8-171.9152.700110.4Y2 I18 L19 F39Y2-E14 WeakPolarHBondContact CE1-OE2 2.99Å; Y2-E14 PolarHBondContact OH-OE2 3.37Å; E14-I18 WeakPolarHBondContact CA-O 3.32Å; E14-L19 HydrophobicContact CB-CD1 3.88Å; E14-L19 HydrophobicContact CG-CD1 4.45Å; E14-F39 HydrophobicContact CG-CE2 4.32Å; E14-F39 HydrophobicContact CG-CZ 3.83Å; E14-F39 WeakPolarHBondContact OE1-CZ 3.44Å
15K79.3Confident83.6Confident107 Ų10761.4 Ų61.447%0.46533%0.328SS..EExtended strand (participates in β ladder)trans-127.8128.8-179.3-172.8170.1-180174.20110.6G17 I18K15-G17 PolarHBondContact O-N 3.19Å; K15-I18 PolarHBondContact N-O 3.09Å; K15-I18 PolarHBondContact O-N 2.78Å; K15-I18 VanDerWaalsContact O-O 3.06Å
16E77.4Confident84Confident178 Ų17867.3 Ų67.383%0.83235%0.35SS*.THydrogen-bonded Turntrans55.623.5174-66.9163.2-129.200114.8
17G80.4Confident84.5Confident40 Ų4067.4 Ų67.441%0.41236%0.356SS..THydrogen-bonded Turntrans896.8-178.500000114.9K15 F39K15-G17 PolarHBondContact O-N 3.19Å; G17-F39 WeakPolarHBondContact O-CE1 3.31Å
18I82.1Confident85.4Confident61 Ų6159.6 Ų59.631%0.31333%0.326SS..EExtended strand (participates in β ladder)trans-111137.3170.6-57.4174.2000108.4E14 K15 M41E14-I18 WeakPolarHBondContact CA-O 3.32Å; K15-I18 PolarHBondContact N-O 3.09Å; K15-I18 PolarHBondContact O-N 2.78Å; K15-I18 VanDerWaalsContact O-O 3.06Å; I18-M41 WeakPolarHBondContact CA-O 3.4Å; I18-M41 HydrophobicContact CG1-CB 4.43Å
19L88.9Confident86.4Confident0 Ų059.3 Ų59.30%032%0.316CS..EExtended strand (participates in β ladder)trans-100.3128.6174.7-175.883.7000109.8Y2 C12 D13 E14 V21 V37 F39 M41 Y42 H43Y2-L19 HydrophobicContact CD1-CD1 3.96Å; Y2-L19 HydrophobicContact CD1-CD2 4.19Å; Y2-L19 HydrophobicContact CD2-CD1 4.12Å; Y2-L19 HydrophobicContact CE1-CD1 4Å; Y2-L19 HydrophobicContact CE2-CD1 4.19Å; Y2-L19 HydrophobicContact CG-CD1 4.01Å; Y2-L19 HydrophobicContact CG-CD2 4.19Å; C12-L19 HydrophobicContact CB-CD1 4.37Å; D13-L19 CarbonylContact O-C 3.36Å; D13-L19 WeakPolarHBondContact O-CA 3.03Å; D13-L19 WeakPolarHBondContact O-CD1 3.2Å; E14-L19 HydrophobicContact CB-CD1 3.88Å; E14-L19 HydrophobicContact CG-CD1 4.45Å; L19-V21 HydrophobicContact CD2-CG2 3.8Å; L19-V21 HydrophobicContact CG-CG2 4.12Å; L19-V37 HydrophobicContact CD2-CG1 3.62Å; L19-F39 HydrophobicContact CB-CD1 3.53Å; L19-F39 HydrophobicContact CB-CE1 3.68Å; L19-F39 HydrophobicContact CB-CG 4.03Å; L19-F39 HydrophobicContact CB-CZ 4.27Å; L19-F39 HydrophobicContact CD2-CB 4.17Å; L19-F39 HydrophobicContact CD2-CD1 4.44Å; L19-F39 HydrophobicContact CD2-CG 4.15Å; L19-M41 PolarHBondContact N-O 2.03Å; L19-M41 VanDerWaalsContact N-O 3.11Å; L19-Y42 CarbonylContact O-C 3.6Å; L19-Y42 WeakPolarHBondContact O-CA 3.09Å; L19-Y42 WeakPolarHBondContact O-CB 3.23Å; L19-H43 PolarHBondContact O-N 3.23Å
20T87Confident86.9Confident41 Ų4164.6 Ų64.625%0.25233%0.332SS..EExtended strand (participates in β ladder)trans-99.5125.7170.3-64.30000109.3C12 D13 H43 L45C12-T20 VanDerWaalsContact CA-O 3.28Å; C12-T20 WeakPolarHBondContact CA-O 3.35Å; D13-T20 PolarHBondContact N-O 3.39Å; D13-T20 PolarHBondContact O-N 2.99Å; T20-H43 HydrophobicContact CG2-CB 4.47Å; T20-L45 HydrophobicContact CG2-CD1 4.06Å; T20-L45 HydrophobicContact CG2-CG 4.43Å
21V90.8Very high87Confident0 Ų064.7 Ų64.70%033%0.332CS..EExtended strand (participates in β ladder)trans-115.196-178.1-178.10000108.7I5 C10 T11 L19 V37 Y42 H43 L44 L45I5-V21 HydrophobicContact CD1-CG1 3.59Å; I5-V21 HydrophobicContact CG1-CG1 4.44Å; C10-V21 HydrophobicContact CB-CG1 4.22Å; T11-V21 CarbonylContact O-C 3.1Å; T11-V21 WeakPolarHBondContact O-CA 3.39Å; L19-V21 HydrophobicContact CD2-CG2 3.8Å; L19-V21 HydrophobicContact CG-CG2 4.12Å; V21-V37 HydrophobicContact CG2-CG2 4.3Å; V21-Y42 HydrophobicContact CG2-CD2 4.06Å; V21-H43 WeakPolarHBondContact CB-O 3.26Å; V21-H43 PolarHBondContact N-O 3.48Å; V21-L44 HydrophobicContact CB-CD1 4.18Å; V21-L44 HydrophobicContact CG1-CD1 3.87Å; V21-L45 PolarHBondContact O-N 3.07Å
22S87.8Confident86.9Confident25 Ų2566.1 Ų66.118%0.17534%0.341CS..EExtended strand (participates in β ladder)trans-92.5110.7177.7177.10000111.6C10 T11 E24C10-S22 CarbonylContact C-O 3.49Å; C10-S22 WeakPolarHBondContact CA-O 3.36Å; C10-S22 VanDerWaalsContact CB-O 3.27Å; C10-S22 WeakPolarHBondContact CB-O 3.48Å; T11-S22 PolarHBondContact N-O 3.44Å; T11-S22 PolarHBondContact O-N 3.25Å; S22-E24 PolarHBondContact OG-OE2 3.46Å
23C89.8Confident86.7Confident0 Ų069 Ų690%035%0.351CS..  trans-109.326.5175.7-62.40000111.4C10 R26 I28 L45 L46 N49C10-C23 HydrophobicContact CB-CB 3.99Å; C10-C23 WeakPolarHBondContact CB-SG 3.43Å; C10-C23 VanDerWaalsContact SG-CA 3.52Å; C10-C23 WeakPolarHBondContact SG-CB 3.41Å; C10-C23 CovalentContact SG-SG 2.03Å; C10-C23 PolarHBondContact SG-SG 3.17Å; C23-R26 WeakPolarHBondContact O-CG 3.02Å; C23-I28 HydrophobicContact CB-CD1 3.96Å; C23-L45 CarbonylContact C-O 3.07Å; C23-L45 WeakPolarHBondContact CA-O 3.38Å; C23-L45 WeakPolarHBondContact CB-O 3.42Å; C23-L45 PolarHBondContact N-O 2.93Å; C23-L46 HydrophobicContact CB-CD2 3.48Å; C23-L46 VanDerWaalsContact CB-CD2 3.48Å; C23-L46 HydrophobicContact CB-CG 4.39Å; C23-N49 PolarHBondContact O-ND2 3.17Å
24E85.8Confident86.8Confident58 Ų5865.2 Ų65.227%0.27133%0.331SS..THydrogen-bonded Turntrans-80.4145.7-166.1-61.4172.6103.800113.1S22 R26 L45 T47S22-E24 PolarHBondContact OG-OE2 3.46Å; E24-R26 WeakPolarHBondContact O-CG 3.32Å; E24-R26 PolarHBondContact O-N 3.36Å; E24-R26 VanDerWaalsContact O-N 3.14Å; E24-R26 PolarHBondContact O-NE 3.31Å; E24-L45 HydrophobicContact CG-CB 3.65Å; E24-L45 WeakPolarHBondContact OE2-CD1 3.41Å; E24-T47 VanDerWaalsContact CA-O 3.28Å; E24-T47 WeakPolarHBondContact CA-O 3.47Å; E24-T47 WeakPolarHBondContact OE1-CB 3.02Å; E24-T47 PolarHBondContact OE1-OG1 3.03Å
25N86.7Confident86.6Confident127 Ų12763.3 Ų63.368%0.67933%0.327SS*.THydrogen-bonded Turntrans52.730.2-179.7-61.4-76.1000114.4T47 G48N25-T47 PolarHBondContact N-O 2.7Å; N25-G48 WeakPolarHBondContact CA-O 3.28Å
26R88.8Confident86.8Confident130 Ų13060.8 Ų60.849%0.49132%0.322SS..SBendtrans-90.7-5.5-178.4-58.9-53.8173.8130.94114.1T11 C23 E24 I28 N49T11-R26 PolarHBondContact OG1-NH2 2.93Å; C23-R26 WeakPolarHBondContact O-CG 3.02Å; E24-R26 WeakPolarHBondContact O-CG 3.32Å; E24-R26 PolarHBondContact O-N 3.36Å; E24-R26 VanDerWaalsContact O-N 3.14Å; E24-R26 PolarHBondContact O-NE 3.31Å; R26-I28 VanDerWaalsContact C-N 3.32Å; R26-I28 HydrophobicContact CB-CD1 4Å; R26-I28 HydrophobicContact CB-CG1 3.95Å; R26-N49 PolarHBondContact N-OD1 3.43Å; R26-N49 VanDerWaalsContact N-OD1 3.11Å
27G89.7Confident87.2Confident31 Ų3152.6 Ų52.632%0.3228%0.284SS..  trans7519.6-179.700000114.1I29 N49G27-I29 WeakPolarHBondContact O-CG1 3.25Å; G27-I29 PolarHBondContact O-N 3.02Å; G27-N49 PolarHBondContact N-OD1 3.14Å
28I91.5Very high87.3Confident3 Ų360.2 Ų60.22%0.01531%0.309CS..  trans-61.7129.9-177.2-62.7163.8000109.7L9 C23 R26 R30 E33 I34 L46 N49 L50 L51L9-I28 HydrophobicContact CD2-CD1 3.91Å; L9-I28 HydrophobicContact CD2-CG1 4.18Å; C23-I28 HydrophobicContact CB-CD1 3.96Å; R26-I28 VanDerWaalsContact C-N 3.32Å; R26-I28 HydrophobicContact CB-CD1 4Å; R26-I28 HydrophobicContact CB-CG1 3.95Å; I28-R30 WeakPolarHBondContact CG2-O 3.32Å; I28-E33 HydrophobicContact CG2-CB 4.24Å; I28-I34 HydrophobicContact CD1-CD1 3.98Å; I28-I34 HydrophobicContact CD1-CG1 4.33Å; I28-I34 HydrophobicContact CG2-CD1 4.27Å; I28-I34 HydrophobicContact CG2-CG1 4.33Å; I28-L46 HydrophobicContact CD1-CD2 4.09Å; I28-N49 HydrophobicContact CB-CB 4.28Å; I28-N49 PolarHBondContact N-OD1 3.11Å; I28-L50 CarbonylContact O-C 3.53Å; I28-L50 WeakPolarHBondContact O-CA 3.49Å; I28-L50 PolarHBondContact O-N 3.17Å; I28-L51 HydrophobicContact CG2-CD2 4.17Å; I28-L51 PolarHBondContact O-N 2.87Å
29I91.9Very high87.5Confident91 Ų9159 Ų5947%0.46730%0.301SS..  trans-101.9-27.3-175.5-49.7179.7000111G27 E33 L50G27-I29 WeakPolarHBondContact O-CG1 3.25Å; G27-I29 PolarHBondContact O-N 3.02Å; I29-E33 WeakPolarHBondContact CA-OE1 3.35Å; I29-E33 WeakPolarHBondContact CB-OE1 3.3Å; I29-E33 PolarHBondContact N-OE1 2.89Å; I29-E33 VanDerWaalsContact N-OE1 3.1Å; I29-E33 PolarHBondContact N-OE2 3.17Å; I29-L50 HydrophobicContact CG1-CB 4.24Å
30R89.2Confident87.4Confident168 Ų16863.9 Ų63.963%0.63433%0.333SS*.  trans-142.6143.4-178.6-56.8-177.8-178.9-165.9-1.7112I28 T32 E33I28-R30 WeakPolarHBondContact CG2-O 3.32Å; R30-T32 WeakPolarHBondContact CB-OG1 3.31Å; R30-T32 PolarHBondContact O-N 2.64Å; R30-T32 VanDerWaalsContact O-N 3.09Å; R30-E33 PolarHBondContact N-OE1 2.88Å; R30-E33 WeakPolarHBondContact O-CB 3.44Å; R30-E33 PolarHBondContact O-N 2.86Å
31L88.9Confident87.4Confident12 Ų1267 Ų676%0.06335%0.346CS..G310 helixtrans-60.2-20.1172.5-74.5161.8000113.5E33 I34 L46 L51 L54 D58 F59L31-E33 PolarHBondContact O-N 2.66Å; L31-I34 HydrophobicContact CD2-CD1 4.2Å; L31-I34 WeakPolarHBondContact O-CB 3.26Å; L31-I34 PolarHBondContact O-N 3.17Å; L31-I34 VanDerWaalsContact O-N 3.07Å; L31-L46 HydrophobicContact CD2-CD1 3.78Å; L31-L51 HydrophobicContact CG-CD2 4.4Å; L31-L54 HydrophobicContact CD1-CD2 3.83Å; L31-D58 HydrophobicContact CD1-CB 3.8Å; L31-F59 HydrophobicContact CD1-CD2 4.46Å; L31-F59 HydrophobicContact CD1-CE1 3.94Å; L31-F59 HydrophobicContact CD1-CE2 3.71Å; L31-F59 HydrophobicContact CD1-CZ 3.4Å; L31-F59 VanDerWaalsContact CD1-CZ 3.4Å; L31-F59 HydrophobicContact CD2-CE1 3.89Å; L31-F59 HydrophobicContact CD2-CZ 4Å; L31-F59 HydrophobicContact CG-CZ 4.38Å
32T86.3Confident87.3Confident114 Ų11467 Ų6770%0.69935%0.346SS*.G310 helixtrans-66.3-14.3172.356.70000114.5R30 I34R30-T32 WeakPolarHBondContact CB-OG1 3.31Å; R30-T32 PolarHBondContact O-N 2.64Å; R30-T32 VanDerWaalsContact O-N 3.09Å; T32-I34 PolarHBondContact O-N 3.39Å
33E85.3Confident87.4Confident89 Ų8967.8 Ų67.842%0.41635%0.347SS..G310 helixtrans-76.9-7.7172.6-63.7162-130.900111.8I28 I29 R30 L31I28-E33 HydrophobicContact CG2-CB 4.24Å; I29-E33 WeakPolarHBondContact CA-OE1 3.35Å; I29-E33 WeakPolarHBondContact CB-OE1 3.3Å; I29-E33 PolarHBondContact N-OE1 2.89Å; I29-E33 VanDerWaalsContact N-OE1 3.1Å; I29-E33 PolarHBondContact N-OE2 3.17Å; R30-E33 PolarHBondContact N-OE1 2.88Å; R30-E33 WeakPolarHBondContact O-CB 3.44Å; R30-E33 PolarHBondContact O-N 2.86Å; L31-E33 PolarHBondContact O-N 2.66Å
34I87.1Confident87.5Confident10 Ų1067.9 Ų67.95%0.05135%0.347CS..SBendtrans-115.6128.2-173.2-47.6-173.5000110I5 L9 I28 L31 T32 L46 Y62I5-I34 HydrophobicContact CD1-CG2 3.38Å; I5-I34 HydrophobicContact CG1-CG2 4.03Å; L9-I34 HydrophobicContact CD2-CG1 4.38Å; I28-I34 HydrophobicContact CD1-CD1 3.98Å; I28-I34 HydrophobicContact CD1-CG1 4.33Å; I28-I34 HydrophobicContact CG2-CD1 4.27Å; I28-I34 HydrophobicContact CG2-CG1 4.33Å; L31-I34 HydrophobicContact CD2-CD1 4.2Å; L31-I34 WeakPolarHBondContact O-CB 3.26Å; L31-I34 PolarHBondContact O-N 3.17Å; L31-I34 VanDerWaalsContact O-N 3.07Å; T32-I34 PolarHBondContact O-N 3.39Å; I34-L46 HydrophobicContact CD1-CD1 4.34Å; I34-L46 HydrophobicContact CD1-CD2 3.37Å; I34-L46 HydrophobicContact CD1-CG 4.48Å; I34-Y62 PolarHBondContact O-OH 3.44Å
35S83.8Confident87.6Confident45 Ų4566 Ų6632%0.31534%0.339SS..PPolyproline II helixtrans-81.4129170.366.60000110.4I5I5-S35 WeakPolarHBondContact CB-OG 3.37Å; I5-S35 VanDerWaalsContact CG2-OG 3.32Å; I5-S35 WeakPolarHBondContact CG2-OG 3.48Å; I5-S35 PolarHBondContact N-OG 3.49Å
36P83.6Confident87.9Confident54 Ų5460 Ų6035%0.35131%0.307SS..PPolyproline II helixtrans-60.4140.7177.125.4-34.4000111.4N61 Y62P36-N61 HydrophobicContact CB-CB 3.82Å; P36-N61 HydrophobicContact CG-CB 3.8Å; P36-Y62 HydrophobicContact CB-CD1 4.31Å; P36-Y62 HydrophobicContact CB-CD2 4.08Å; P36-Y62 HydrophobicContact CB-CE1 4.09Å; P36-Y62 HydrophobicContact CB-CE2 3.87Å; P36-Y62 HydrophobicContact CB-CG 4.32Å
37V85.5Confident87.8Confident6 Ų654.9 Ų54.94%0.03629%0.29CS..PPolyproline II helixtrans-91.3130.6-179.1175.60000110.2I5 L19 V21 F39 Y42I5-V37 HydrophobicContact CD1-CG2 4.01Å; I5-V37 HydrophobicContact CG2-CG2 3.54Å; L19-V37 HydrophobicContact CD2-CG1 3.62Å; V21-V37 HydrophobicContact CG2-CG2 4.3Å; V37-F39 HydrophobicContact CG1-CB 3.83Å; V37-F39 PolarHBondContact O-N 2.98Å; V37-Y42 HydrophobicContact CB-CD2 4.48Å; V37-Y42 HydrophobicContact CB-CE1 4.21Å; V37-Y42 HydrophobicContact CB-CE2 3.9Å; V37-Y42 HydrophobicContact CG1-CE1 4.5Å; V37-Y42 PolarHBondContact N-OH 3.4Å; V37-Y42 WeakPolarHBondContact O-CE1 3.39Å; V37-Y42 PolarHBondContact O-OH 3.05Å
38Q83.7Confident87.5Confident200 Ų20054.5 Ų54.594%0.93529%0.286SS*.  trans-99.468.7-176.9-157.6161.328.100110.6
39F86Confident87.5Confident35 Ų3554.6 Ų54.615%0.15429%0.286CS..  trans-133.3145.2-178.1-167.4-91.9000109.5Y2 E14 G17 L19 V37 M41 Y42Y2-F39 AromaticContact CD1-CD2 3.9Å; Y2-F39 HydrophobicContact CD1-CD2 3.9Å; Y2-F39 HydrophobicContact CD1-CE2 4.31Å; Y2-F39 HydrophobicContact CE1-CD2 4.03Å; Y2-F39 AromaticContact CE1-CE2 3.95Å; Y2-F39 HydrophobicContact CE1-CE2 3.95Å; E14-F39 HydrophobicContact CG-CE2 4.32Å; E14-F39 HydrophobicContact CG-CZ 3.83Å; E14-F39 WeakPolarHBondContact OE1-CZ 3.44Å; G17-F39 WeakPolarHBondContact O-CE1 3.31Å; L19-F39 HydrophobicContact CB-CD1 3.53Å; L19-F39 HydrophobicContact CB-CE1 3.68Å; L19-F39 HydrophobicContact CB-CG 4.03Å; L19-F39 HydrophobicContact CB-CZ 4.27Å; L19-F39 HydrophobicContact CD2-CB 4.17Å; L19-F39 HydrophobicContact CD2-CD1 4.44Å; L19-F39 HydrophobicContact CD2-CG 4.15Å; V37-F39 HydrophobicContact CG1-CB 3.83Å; V37-F39 PolarHBondContact O-N 2.98Å; F39-M41 VanDerWaalsContact CD1-O 3.23Å; F39-M41 WeakPolarHBondContact CD1-O 3.24Å; F39-M41 WeakPolarHBondContact CE1-O 3.14Å; F39-M41 PolarHBondContact O-N 2.89Å; F39-Y42 HydrophobicContact CB-CD1 4.36Å; F39-Y42 WeakPolarHBondContact O-CD1 3.34Å
40P85.6Confident87.7Confident102 Ų10254.1 Ų54.166%0.66228%0.284SS*.SBendtrans-68-35.3-166.623.5-35.3000115.8
41M87.1Confident88Confident107 Ų10746.2 Ų46.253%0.52726%0.255SS..SBendtrans-142.7120.9177.4-68.2-175.5179.500109.7I18 L19 F39 G64 T66I18-M41 WeakPolarHBondContact CA-O 3.4Å; I18-M41 HydrophobicContact CG1-CB 4.43Å; L19-M41 PolarHBondContact N-O 2.03Å; L19-M41 VanDerWaalsContact N-O 3.11Å; F39-M41 VanDerWaalsContact CD1-O 3.23Å; F39-M41 WeakPolarHBondContact CD1-O 3.24Å; F39-M41 WeakPolarHBondContact CE1-O 3.14Å; F39-M41 PolarHBondContact O-N 2.89Å; M41-G64 CarbonylContact C-O 3.58Å; M41-G64 VanDerWaalsContact CA-O 3.31Å; M41-G64 WeakPolarHBondContact CA-O 3.27Å; M41-T66 HydrophobicContact CB-CG2 4.25Å; M41-T66 HydrophobicContact CG-CG2 4.27Å
42Y89.6Confident88.3Confident0 Ų050.8 Ų50.80%027%0.274CS..EExtended strand (participates in β ladder)trans-147.6153.4-178.867-86.9000114.9L19 V21 V37 F39 Y62 G64 V65 T66L19-Y42 CarbonylContact O-C 3.6Å; L19-Y42 WeakPolarHBondContact O-CA 3.09Å; L19-Y42 WeakPolarHBondContact O-CB 3.23Å; V21-Y42 HydrophobicContact CG2-CD2 4.06Å; V37-Y42 HydrophobicContact CB-CD2 4.48Å; V37-Y42 HydrophobicContact CB-CE1 4.21Å; V37-Y42 HydrophobicContact CB-CE2 3.9Å; V37-Y42 HydrophobicContact CG1-CE1 4.5Å; V37-Y42 PolarHBondContact N-OH 3.4Å; V37-Y42 WeakPolarHBondContact O-CE1 3.39Å; V37-Y42 PolarHBondContact O-OH 3.05Å; F39-Y42 HydrophobicContact CB-CD1 4.36Å; F39-Y42 WeakPolarHBondContact O-CD1 3.34Å; Y42-Y62 HydrophobicContact CE2-CD1 4.46Å; Y42-Y62 WeakPolarHBondContact OH-CD1 3.38Å; Y42-G64 WeakPolarHBondContact CD1-O 3.22Å; Y42-G64 PolarHBondContact N-O 2.82Å; Y42-V65 HydrophobicContact CD2-CG2 3.84Å; Y42-V65 HydrophobicContact CE1-CG2 4.16Å; Y42-V65 HydrophobicContact CE2-CG2 3.34Å; Y42-V65 HydrophobicContact CG-CG2 4.45Å; Y42-V65 CarbonylContact O-C 3.55Å; Y42-V65 VanDerWaalsContact O-CA 3.26Å; Y42-V65 WeakPolarHBondContact O-CA 3.34Å; Y42-T66 PolarHBondContact O-N 3.28Å; Y42-T66 PolarHBondContact O-OG1 3.11Å
43H89.5Confident88.7Confident42 Ų4249 Ų4919%0.19426%0.256CS..EExtended strand (participates in β ladder)trans-98.2138.4171.3-55.1152000109.2L19 T20 V21 L45 T66 I67L19-H43 PolarHBondContact O-N 3.23Å; T20-H43 HydrophobicContact CG2-CB 4.47Å; V21-H43 WeakPolarHBondContact CB-O 3.26Å; V21-H43 PolarHBondContact N-O 3.48Å; H43-L45 HydrophobicContact CB-CD2 4.43Å; H43-T66 PolarHBondContact CD2-OG1 2.97Å; H43-T66 PolarHBondContact NE2-OG1 2.79Å; H43-I67 WeakPolarHBondContact CA-O 3.49Å; H43-I67 HydrophobicContact CB-CB 4.28Å
44L92.3Very high89.1Confident1 Ų144.8 Ų44.81%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-122.3109178.9179.757.1000109.7V21 L46 Y62 V65 I67 L68 H69V21-L44 HydrophobicContact CB-CD1 4.18Å; V21-L44 HydrophobicContact CG1-CD1 3.87Å; L44-L46 HydrophobicContact CD1-CD1 4.38Å; L44-L46 HydrophobicContact CD1-CG 4.27Å; L44-L46 HydrophobicContact CD2-CD1 4.01Å; L44-L46 HydrophobicContact CG-CD1 3.94Å; L44-L46 HydrophobicContact CG-CG 4.17Å; L44-Y62 HydrophobicContact CD2-CD1 3.88Å; L44-Y62 HydrophobicContact CD2-CE1 3.89Å; L44-V65 HydrophobicContact CB-CG1 4.14Å; L44-V65 HydrophobicContact CB-CG2 4.32Å; L44-V65 HydrophobicContact CD2-CG2 4.45Å; L44-I67 PolarHBondContact N-O 2.96Å; L44-L68 HydrophobicContact CB-CD1 4.12Å; L44-L68 HydrophobicContact CD2-CD1 4.06Å; L44-L68 HydrophobicContact CG-CD1 4.06Å; L44-L68 WeakPolarHBondContact O-CA 3.2Å; L44-H69 PolarHBondContact O-N 2.99Å
45L88.5Confident89.5Confident20 Ų2046.1 Ų46.111%0.10525%0.247CC..EExtended strand (participates in β ladder)trans-102.7112.3-177.1-38.4-178.5000109.3T20 V21 C23 E24 H43 H69T20-L45 HydrophobicContact CG2-CD1 4.06Å; T20-L45 HydrophobicContact CG2-CG 4.43Å; V21-L45 PolarHBondContact O-N 3.07Å; C23-L45 CarbonylContact C-O 3.07Å; C23-L45 WeakPolarHBondContact CA-O 3.38Å; C23-L45 WeakPolarHBondContact CB-O 3.42Å; C23-L45 PolarHBondContact N-O 2.93Å; E24-L45 HydrophobicContact CG-CB 3.65Å; E24-L45 WeakPolarHBondContact OE2-CD1 3.41Å; H43-L45 HydrophobicContact CB-CD2 4.43Å; L45-H69 HydrophobicContact CD2-CB 4.44Å; L45-H69 WeakPolarHBondContact CD2-CD2 3.42Å
46L91.1Very high89.9Confident0 Ų047.3 Ų47.30%025%0.252CS..  trans-119.219.6-179.1-70.1163.3000112.3C23 I28 L31 I34 L44 N49 L68 H69 L70 N73C23-L46 HydrophobicContact CB-CD2 3.48Å; C23-L46 VanDerWaalsContact CB-CD2 3.48Å; C23-L46 HydrophobicContact CB-CG 4.39Å; I28-L46 HydrophobicContact CD1-CD2 4.09Å; L31-L46 HydrophobicContact CD2-CD1 3.78Å; I34-L46 HydrophobicContact CD1-CD1 4.34Å; I34-L46 HydrophobicContact CD1-CD2 3.37Å; I34-L46 HydrophobicContact CD1-CG 4.48Å; L44-L46 HydrophobicContact CD1-CD1 4.38Å; L44-L46 HydrophobicContact CD1-CG 4.27Å; L44-L46 HydrophobicContact CD2-CD1 4.01Å; L44-L46 HydrophobicContact CG-CD1 3.94Å; L44-L46 HydrophobicContact CG-CG 4.17Å; L46-N49 VanDerWaalsContact C-ND2 3.35Å; L46-N49 PolarHBondContact O-ND2 2.64Å; L46-L68 HydrophobicContact CD1-CD1 4.28Å; L46-H69 CarbonylContact C-O 3.43Å; L46-H69 WeakPolarHBondContact CA-O 3.44Å; L46-H69 VanDerWaalsContact CB-O 3.31Å; L46-H69 WeakPolarHBondContact CB-O 3.34Å; L46-H69 PolarHBondContact N-O 2.76Å; L46-L70 HydrophobicContact CB-CD2 4Å; L46-L70 HydrophobicContact CD1-CD2 3.85Å; L46-N73 PolarHBondContact O-ND2 2.95Å
47T87.2Confident90.2Very high23 Ų2347.9 Ų47.914%0.14125%0.252CS..THydrogen-bonded Turntrans-53.6139.6177.4-30.60000112.6E24 N25 N49 G71 N72E24-T47 VanDerWaalsContact CA-O 3.28Å; E24-T47 WeakPolarHBondContact CA-O 3.47Å; E24-T47 WeakPolarHBondContact OE1-CB 3.02Å; E24-T47 PolarHBondContact OE1-OG1 3.03Å; N25-T47 PolarHBondContact N-O 2.7Å; T47-N49 PolarHBondContact O-ND2 2.64Å; T47-G71 WeakPolarHBondContact CA-O 3.29Å; T47-N72 HydrophobicContact CG2-CB 4.29Å
48G83.7Confident90.6Very high22 Ų2249.8 Ų49.823%0.22726%0.262CS..THydrogen-bonded Turntrans72.827.6171.900000114.9N25 G71 N72N25-G48 WeakPolarHBondContact CA-O 3.28Å; G48-G71 PolarHBondContact N-O 3.39Å; G48-N72 WeakPolarHBondContact CA-O 3.17Å; G48-N72 PolarHBondContact N-O 3.06Å
49N92.4Very high91Very high5 Ų540.2 Ų40.23%0.02722%0.218CC..  trans-104.5-173.4178.8-77-67.2000111.7C23 R26 G27 I28 L46 T47 N73C23-N49 PolarHBondContact O-ND2 3.17Å; R26-N49 PolarHBondContact N-OD1 3.43Å; R26-N49 VanDerWaalsContact N-OD1 3.11Å; G27-N49 PolarHBondContact N-OD1 3.14Å; I28-N49 HydrophobicContact CB-CB 4.28Å; I28-N49 PolarHBondContact N-OD1 3.11Å; L46-N49 VanDerWaalsContact C-ND2 3.35Å; L46-N49 PolarHBondContact O-ND2 2.64Å; T47-N49 PolarHBondContact O-ND2 2.64Å; N49-N73 WeakPolarHBondContact CA-OD1 3.34Å; N49-N73 VanDerWaalsContact CB-OD1 3.26Å; N49-N73 WeakPolarHBondContact CB-OD1 3.36Å; N49-N73 PolarHBondContact N-ND2 3.32Å; N49-N73 PolarHBondContact O-OD1 3.01Å
50L94.4Very high91.3Very high82 Ų8242.5 Ų42.543%0.42923%0.231SC..  trans-113.825.6-173-59.7177.2000112.1I28 I29 K52I28-L50 CarbonylContact O-C 3.53Å; I28-L50 WeakPolarHBondContact O-CA 3.49Å; I28-L50 PolarHBondContact O-N 3.17Å; I29-L50 HydrophobicContact CG1-CB 4.24Å; L50-K52 VanDerWaalsContact O-CG 3.3Å; L50-K52 WeakPolarHBondContact O-CG 3.44Å; L50-K52 PolarHBondContact O-N 3.1Å
51L95.9Very high91.5Very high2 Ų243 Ų431%0.0123%0.227CC..  trans-63127.5175.9-60.2174.9000109.2I28 L31 L70 N73 D74 I75I28-L51 HydrophobicContact CG2-CD2 4.17Å; I28-L51 PolarHBondContact O-N 2.87Å; L31-L51 HydrophobicContact CG-CD2 4.4Å; L51-L70 HydrophobicContact CD1-CD2 3.57Å; L51-N73 HydrophobicContact CB-CB 4.5Å; L51-N73 WeakPolarHBondContact CB-OD1 3.23Å; L51-N73 WeakPolarHBondContact CG-OD1 3.3Å; L51-N73 PolarHBondContact N-OD1 3.33Å; L51-D74 CarbonylContact O-C 3.56Å; L51-D74 VanDerWaalsContact O-CA 3.25Å; L51-D74 WeakPolarHBondContact O-CA 3.01Å; L51-D74 WeakPolarHBondContact O-CB 3.22Å; L51-D74 PolarHBondContact O-N 2.84Å; L51-I75 HydrophobicContact CB-CD1 4.27Å; L51-I75 HydrophobicContact CB-CG1 3.94Å; L51-I75 VanDerWaalsContact O-CG1 3.31Å; L51-I75 WeakPolarHBondContact O-CG1 3.28Å; L51-I75 PolarHBondContact O-N 2.71Å
52K94.8Very high91.7Very high108 Ų10838.2 Ų38.247%0.4720%0.204SC..  trans-111.7-23-177.2-46-145.2178.8-1480114.1L50 D74 I75 S76L50-K52 VanDerWaalsContact O-CG 3.3Å; L50-K52 WeakPolarHBondContact O-CG 3.44Å; L50-K52 PolarHBondContact O-N 3.1Å; K52-D74 HydrophobicContact CB-CB 4.45Å; K52-D74 HydrophobicContact CD-CB 4.15Å; K52-D74 WeakPolarHBondContact CE-OD2 3.41Å; K52-D74 HydrophobicContact CG-CB 3.88Å; K52-D74 IonicContact NZ-OD2 3.08Å; K52-D74 PolarHBondContact NZ-OD2 3.27Å; K52-I75 WeakPolarHBondContact O-CA 3.31Å; K52-S76 PolarHBondContact O-N 3.22Å
53K94.7Very high91.7Very high76 Ų7643 Ų4333%0.3323%0.233SC..EExtended strand (participates in β ladder)trans-149.3140.7-175.4175.7167.5-176.8157.80109.3E77 E79K53-E77 CarbonylContact C-O 3.6Å; K53-E77 VanDerWaalsContact CA-O 3.26Å; K53-E77 WeakPolarHBondContact CA-O 3.37Å; K53-E77 HydrophobicContact CB-CB 4.43Å; K53-E77 HydrophobicContact CD-CB 4.31Å; K53-E77 HydrophobicContact CD-CG 4.4Å; K53-E77 VanDerWaalsContact CD-OE2 3.31Å; K53-E77 WeakPolarHBondContact CD-OE2 3.24Å; K53-E77 VanDerWaalsContact CE-CD 3.49Å; K53-E77 WeakPolarHBondContact CE-OE2 3.28Å; K53-E77 HydrophobicContact CG-CB 4.12Å; K53-E77 IonicContact NZ-OE1 2.63Å; K53-E77 PolarHBondContact NZ-OE1 3.35Å; K53-E77 IonicContact NZ-OE2 3.89Å; K53-E77 PolarHBondContact NZ-OE2 2.94Å; K53-E79 WeakPolarHBondContact CE-OE1 3.41Å; K53-E79 IonicContact NZ-OE1 2.66Å; K53-E79 PolarHBondContact NZ-OE1 2.86Å
54L95.4Very high91.7Very high0 Ų041.4 Ų41.40%023%0.228CC..EExtended strand (participates in β ladder)trans-107121.7166.9-54.9179.3000108L31 F59 L70 I75 E77 I78 E79 A82 F83L31-L54 HydrophobicContact CD1-CD2 3.83Å; L54-F59 HydrophobicContact CD1-CE2 4.5Å; L54-F59 HydrophobicContact CD2-CE2 4.32Å; L54-L70 HydrophobicContact CD1-CD1 4Å; L54-I75 HydrophobicContact CD1-CD1 4.32Å; L54-I75 HydrophobicContact CD2-CD1 4.15Å; L54-I75 HydrophobicContact CG-CD1 4.26Å; L54-I75 HydrophobicContact CG-CG2 4.17Å; L54-E77 PolarHBondContact N-O 2.89Å; L54-I78 HydrophobicContact CB-CG1 4.46Å; L54-I78 HydrophobicContact CB-CG2 4.32Å; L54-I78 HydrophobicContact CD1-CD1 4.17Å; L54-I78 HydrophobicContact CD1-CG1 4.1Å; L54-I78 HydrophobicContact CG-CG1 4.44Å; L54-E79 PolarHBondContact O-N 3.07Å; L54-A82 HydrophobicContact CB-CB 3.89Å; L54-F83 HydrophobicContact CD1-CE1 3.71Å; L54-F83 HydrophobicContact CD1-CZ 3.64Å
55S93.7Very high91.8Very high38 Ų3841.3 Ų41.327%0.26623%0.227SC..  trans-100.4158.2-175.3-104.70000113.1N57 D58 E79 A82S55-N57 PolarHBondContact O-N 2.88Å; S55-D58 PolarHBondContact N-OD2 3.23Å; S55-D58 WeakPolarHBondContact O-CB 3.31Å; S55-D58 VanDerWaalsContact O-CG 3.28Å; S55-D58 PolarHBondContact O-N 2.82Å; S55-E79 WeakPolarHBondContact CA-OE2 2.99Å; S55-E79 VanDerWaalsContact CB-OE2 3.24Å; S55-E79 WeakPolarHBondContact CB-OE2 3.48Å; S55-E79 PolarHBondContact OG-OE2 3.42Å; S55-A82 VanDerWaalsContact O-CA 3.28Å; S55-A82 WeakPolarHBondContact O-CA 3.5Å; S55-A82 WeakPolarHBondContact O-CB 3.47Å
56V92.6Very high91.8Very high70 Ų7041.3 Ų41.342%0.42423%0.228SC..THydrogen-bonded Turntrans-54.2127.6-176.5-171.10000111D58 E79 S80V56-D58 VanDerWaalsContact C-N 3.29Å; V56-D58 PolarHBondContact O-N 3.27Å; V56-E79 HydrophobicContact CG2-CB 3.55Å; V56-E79 HydrophobicContact CG2-CG 4.44Å; V56-E79 PolarHBondContact N-OE2 3.45Å; V56-S80 WeakPolarHBondContact CG2-O 3.33Å
57N91.3Very high91.8Very high66 Ų6642.4 Ų42.435%0.35323%0.234SC..THydrogen-bonded Turntrans6514.5-178.6-53.9-41.7000116.3S55 F59 I60 G81 N84S55-N57 PolarHBondContact O-N 2.88Å; N57-F59 PolarHBondContact O-N 3.04Å; N57-F59 VanDerWaalsContact O-N 3.09Å; N57-I60 HydrophobicContact CB-CB 3.98Å; N57-I60 HydrophobicContact CB-CD1 4.13Å; N57-I60 HydrophobicContact CB-CG2 4.24Å; N57-I60 WeakPolarHBondContact O-CB 3.17Å; N57-I60 VanDerWaalsContact O-CG2 3.23Å; N57-I60 WeakPolarHBondContact O-CG2 3.35Å; N57-I60 PolarHBondContact O-N 2.7Å; N57-G81 PolarHBondContact N-O 3.18Å; N57-G81 VanDerWaalsContact N-O 3.08Å; N57-N84 VanDerWaalsContact OD1-CB 3.3Å; N57-N84 WeakPolarHBondContact OD1-CB 3.2Å; N57-N84 PolarHBondContact OD1-ND2 3.14Å
58D92.3Very high92.1Very high46 Ų4641.3 Ų41.325%0.24623%0.227CC..THydrogen-bonded Turntrans-51.8-35.1174.9-84.9-8.1000112.2L31 S55 V56L31-D58 HydrophobicContact CD1-CB 3.8Å; S55-D58 PolarHBondContact N-OD2 3.23Å; S55-D58 WeakPolarHBondContact O-CB 3.31Å; S55-D58 VanDerWaalsContact O-CG 3.28Å; S55-D58 PolarHBondContact O-N 2.82Å; V56-D58 VanDerWaalsContact C-N 3.29Å; V56-D58 PolarHBondContact O-N 3.27Å
59F93.7Very high92.4Very high0 Ų042.6 Ų42.60%023%0.227CC..THydrogen-bonded Turntrans-95.710.5-179.7-65.1-75.1000115.5L31 L54 N57 N61 Y62 L68 L70 F83 N84 L86L31-F59 HydrophobicContact CD1-CD2 4.46Å; L31-F59 HydrophobicContact CD1-CE1 3.94Å; L31-F59 HydrophobicContact CD1-CE2 3.71Å; L31-F59 HydrophobicContact CD1-CZ 3.4Å; L31-F59 VanDerWaalsContact CD1-CZ 3.4Å; L31-F59 HydrophobicContact CD2-CE1 3.89Å; L31-F59 HydrophobicContact CD2-CZ 4Å; L31-F59 HydrophobicContact CG-CZ 4.38Å; L54-F59 HydrophobicContact CD1-CE2 4.5Å; L54-F59 HydrophobicContact CD2-CE2 4.32Å; N57-F59 PolarHBondContact O-N 3.04Å; N57-F59 VanDerWaalsContact O-N 3.09Å; F59-N61 PolarHBondContact O-N 3.05Å; F59-N61 VanDerWaalsContact O-N 3.07Å; F59-Y62 HydrophobicContact CB-CD2 4.45Å; F59-Y62 HydrophobicContact CD1-CD2 4.18Å; F59-Y62 HydrophobicContact CD1-CG 4.18Å; F59-Y62 WeakPolarHBondContact O-CB 3.33Å; F59-Y62 PolarHBondContact O-N 3.21Å; F59-L68 HydrophobicContact CD1-CD2 4.42Å; F59-L68 HydrophobicContact CE1-CD1 4.25Å; F59-L68 HydrophobicContact CE1-CD2 3.9Å; F59-L68 HydrophobicContact CE2-CD2 4.35Å; F59-L68 HydrophobicContact CZ-CD2 3.85Å; F59-L70 HydrophobicContact CZ-CD1 4.16Å; F59-L70 HydrophobicContact CZ-CD2 4.5Å; F59-F83 AromaticContact CD2-CD1 3.89Å; F59-F83 HydrophobicContact CD2-CD1 3.89Å; F59-F83 HydrophobicContact CD2-CE1 4.45Å; F59-F83 AromaticContact CE2-CD1 3.94Å; F59-F83 HydrophobicContact CE2-CD1 3.94Å; F59-F83 HydrophobicContact CE2-CE1 4.03Å; F59-N84 CarbonylContact C-O 3.43Å; F59-L86 HydrophobicContact CB-CD1 3.78Å; F59-L86 HydrophobicContact CB-CD2 3.84Å; F59-L86 HydrophobicContact CB-CG 3.59Å; F59-L86 HydrophobicContact CD1-CD1 4.17Å; F59-L86 HydrophobicContact CD1-CD2 4.31Å; F59-L86 HydrophobicContact CD2-CD1 4.02Å; F59-L86 HydrophobicContact CG-CD1 3.73Å; F59-L86 HydrophobicContact CG-CD2 4.29Å; F59-L86 HydrophobicContact CG-CG 4.11Å
60I91.4Very high92.5Very high83 Ų8342.3 Ų42.343%0.42623%0.226SC..THydrogen-bonded Turntrans-61-27.8-170.1-163.1167000115N57 N84N57-I60 HydrophobicContact CB-CB 3.98Å; N57-I60 HydrophobicContact CB-CD1 4.13Å; N57-I60 HydrophobicContact CB-CG2 4.24Å; N57-I60 WeakPolarHBondContact O-CB 3.17Å; N57-I60 VanDerWaalsContact O-CG2 3.23Å; N57-I60 WeakPolarHBondContact O-CG2 3.35Å; N57-I60 PolarHBondContact O-N 2.7Å; I60-N84 VanDerWaalsContact CA-O 3.23Å; I60-N84 WeakPolarHBondContact CA-O 3.5Å; I60-N84 PolarHBondContact N-O 3.43Å; I60-N84 VanDerWaalsContact N-O 3.16Å
61N89.8Confident92.1Very high111 Ų11138.4 Ų38.459%0.59421%0.205SC*.THydrogen-bonded Turntrans-96.22.8178.5-64.1-44.3000113.5P36 F59 T63P36-N61 HydrophobicContact CB-CB 3.82Å; P36-N61 HydrophobicContact CG-CB 3.8Å; F59-N61 PolarHBondContact O-N 3.05Å; F59-N61 VanDerWaalsContact O-N 3.07Å; N61-T63 VanDerWaalsContact C-N 3.33Å; N61-T63 PolarHBondContact O-N 3.24Å
62Y91.2Very high91.7Very high8 Ų841.3 Ų41.33%0.03122%0.221CC..  trans-97.936.7-174.8-69-99.4000112I34 P36 Y42 L44 F59 G64 V65 L86I34-Y62 PolarHBondContact O-OH 3.44Å; P36-Y62 HydrophobicContact CB-CD1 4.31Å; P36-Y62 HydrophobicContact CB-CD2 4.08Å; P36-Y62 HydrophobicContact CB-CE1 4.09Å; P36-Y62 HydrophobicContact CB-CE2 3.87Å; P36-Y62 HydrophobicContact CB-CG 4.32Å; Y42-Y62 HydrophobicContact CE2-CD1 4.46Å; Y42-Y62 WeakPolarHBondContact OH-CD1 3.38Å; L44-Y62 HydrophobicContact CD2-CD1 3.88Å; L44-Y62 HydrophobicContact CD2-CE1 3.89Å; F59-Y62 HydrophobicContact CB-CD2 4.45Å; F59-Y62 HydrophobicContact CD1-CD2 4.18Å; F59-Y62 HydrophobicContact CD1-CG 4.18Å; F59-Y62 WeakPolarHBondContact O-CB 3.33Å; F59-Y62 PolarHBondContact O-N 3.21Å; Y62-G64 PolarHBondContact O-N 2.96Å; Y62-V65 HydrophobicContact CD1-CG2 4.27Å; Y62-V65 WeakPolarHBondContact O-CG2 3.49Å; Y62-V65 PolarHBondContact O-N 2.85Å; Y62-L86 WeakPolarHBondContact O-CD2 3.48Å
63T89.9Confident91.5Very high100 Ų10036.7 Ų36.761%0.61320%0.201SC*.THydrogen-bonded Turntrans-64.6-14.5-168.957.40000115.5N61N61-T63 VanDerWaalsContact C-N 3.33Å; N61-T63 PolarHBondContact O-N 3.24Å
64G90Very high91.5Very high8 Ų834.8 Ų34.88%0.08219%0.194CC..THydrogen-bonded Turntrans-92.1-1175.800000115M41 Y42 Y62 T66M41-G64 CarbonylContact C-O 3.58Å; M41-G64 VanDerWaalsContact CA-O 3.31Å; M41-G64 WeakPolarHBondContact CA-O 3.27Å; Y42-G64 WeakPolarHBondContact CD1-O 3.22Å; Y42-G64 PolarHBondContact N-O 2.82Å; Y62-G64 PolarHBondContact O-N 2.96Å; G64-T66 PolarHBondContact O-N 2.71Å
65V93.6Very high91.6Very high0 Ų034.8 Ų34.80%019%0.194CC..EExtended strand (participates in β ladder)trans-73.5122.4-177.3-176.80000111Y42 L44 Y62 I67 L68 L86 G88 L89Y42-V65 HydrophobicContact CD2-CG2 3.84Å; Y42-V65 HydrophobicContact CE1-CG2 4.16Å; Y42-V65 HydrophobicContact CE2-CG2 3.34Å; Y42-V65 HydrophobicContact CG-CG2 4.45Å; Y42-V65 CarbonylContact O-C 3.55Å; Y42-V65 VanDerWaalsContact O-CA 3.26Å; Y42-V65 WeakPolarHBondContact O-CA 3.34Å; L44-V65 HydrophobicContact CB-CG1 4.14Å; L44-V65 HydrophobicContact CB-CG2 4.32Å; L44-V65 HydrophobicContact CD2-CG2 4.45Å; Y62-V65 HydrophobicContact CD1-CG2 4.27Å; Y62-V65 WeakPolarHBondContact O-CG2 3.49Å; Y62-V65 PolarHBondContact O-N 2.85Å; V65-I67 VanDerWaalsContact CG1-O 3.24Å; V65-I67 WeakPolarHBondContact CG1-O 3.43Å; V65-L68 HydrophobicContact CG1-CB 4.14Å; V65-L86 HydrophobicContact CB-CD2 4Å; V65-L86 HydrophobicContact CG2-CD2 4.34Å; V65-G88 CarbonylContact O-C 3.58Å; V65-L89 HydrophobicContact CB-CD1 4.37Å; V65-L89 HydrophobicContact CG1-CD1 3.65Å; V65-L89 WeakPolarHBondContact O-CA 3.42Å; V65-L89 PolarHBondContact O-N 3.02Å
66T89.3Confident91.6Very high20 Ų2035.9 Ų35.912%0.12320%0.202CC..EExtended strand (participates in β ladder)trans-102-27.817748.20000113.1M41 Y42 H43 G64 K90 R91M41-T66 HydrophobicContact CB-CG2 4.25Å; M41-T66 HydrophobicContact CG-CG2 4.27Å; Y42-T66 PolarHBondContact O-N 3.28Å; Y42-T66 PolarHBondContact O-OG1 3.11Å; H43-T66 PolarHBondContact CD2-OG1 2.97Å; H43-T66 PolarHBondContact NE2-OG1 2.79Å; G64-T66 PolarHBondContact O-N 2.71Å; T66-K90 PolarHBondContact O-N 2.57Å; T66-R91 PolarHBondContact O-N 2.03Å
67I89.8Confident91.6Very high23 Ų2336.3 Ų36.312%0.11820%0.2CC..EExtended strand (participates in β ladder)trans-136.4134.5174.3-59.5-176.4000109.3H43 L44 V65 H69 R91H43-I67 WeakPolarHBondContact CA-O 3.49Å; H43-I67 HydrophobicContact CB-CB 4.28Å; L44-I67 PolarHBondContact N-O 2.96Å; V65-I67 VanDerWaalsContact CG1-O 3.24Å; V65-I67 WeakPolarHBondContact CG1-O 3.43Å; I67-H69 VanDerWaalsContact CG2-NE2 3.33Å; I67-H69 WeakPolarHBondContact CG2-NE2 3.21Å; I67-R91 HydrophobicContact CB-CB 4.48Å; I67-R91 HydrophobicContact CD1-CG 4.42Å; I67-R91 HydrophobicContact CG1-CB 4.11Å; I67-R91 HydrophobicContact CG1-CG 4.2Å; I67-R91 HydrophobicContact CG2-CB 4.16Å
68L94.7Very high91.8Very high0 Ų033.6 Ų33.60%019%0.185CC..EExtended strand (participates in β ladder)trans-132.4113.3-178.1177.156.2000111L44 L46 F59 V65 L70 L86 L89 R91 L92 H93L44-L68 HydrophobicContact CB-CD1 4.12Å; L44-L68 HydrophobicContact CD2-CD1 4.06Å; L44-L68 HydrophobicContact CG-CD1 4.06Å; L44-L68 WeakPolarHBondContact O-CA 3.2Å; L46-L68 HydrophobicContact CD1-CD1 4.28Å; F59-L68 HydrophobicContact CD1-CD2 4.42Å; F59-L68 HydrophobicContact CE1-CD1 4.25Å; F59-L68 HydrophobicContact CE1-CD2 3.9Å; F59-L68 HydrophobicContact CE2-CD2 4.35Å; F59-L68 HydrophobicContact CZ-CD2 3.85Å; V65-L68 HydrophobicContact CG1-CB 4.14Å; L68-L70 HydrophobicContact CD1-CD1 4.37Å; L68-L70 HydrophobicContact CD1-CD2 4.43Å; L68-L70 HydrophobicContact CD1-CG 4.07Å; L68-L70 HydrophobicContact CD2-CD1 3.94Å; L68-L70 HydrophobicContact CG-CD1 4Å; L68-L70 HydrophobicContact CG-CG 4.06Å; L68-L86 HydrophobicContact CD2-CD1 3.69Å; L68-L89 HydrophobicContact CB-CD1 3.64Å; L68-L89 HydrophobicContact CB-CD2 4.22Å; L68-R91 PolarHBondContact N-O 2.76Å; L68-L92 HydrophobicContact CB-CD1 4.19Å; L68-L92 HydrophobicContact CD2-CD1 4.02Å; L68-L92 HydrophobicContact CG-CD1 4.02Å; L68-H93 PolarHBondContact O-N 2.56Å
69H89.3Confident91.8Very high48 Ų4833.9 Ų33.922%0.22219%0.185CC..EExtended strand (participates in β ladder)trans-100117.9173-62.8-114.7000109.9L44 L45 L46 I67 H93L44-H69 PolarHBondContact O-N 2.99Å; L45-H69 HydrophobicContact CD2-CB 4.44Å; L45-H69 WeakPolarHBondContact CD2-CD2 3.42Å; L46-H69 CarbonylContact C-O 3.43Å; L46-H69 WeakPolarHBondContact CA-O 3.44Å; L46-H69 VanDerWaalsContact CB-O 3.31Å; L46-H69 WeakPolarHBondContact CB-O 3.34Å; L46-H69 PolarHBondContact N-O 2.76Å; I67-H69 VanDerWaalsContact CG2-NE2 3.33Å; I67-H69 WeakPolarHBondContact CG2-NE2 3.21Å; H69-H93 AromaticContact CD2-CD2 3.83Å; H69-H93 AromaticContact CE1-CD2 3.51Å; H69-H93 AromaticContact CE1-CE1 3.52Å; H69-H93 AromaticContact CE1-CG 3.82Å; H69-H93 AromaticContact CE1-ND1 3.81Å; H69-H93 AromaticContact CE1-NE2 3.38Å; H69-H93 PolarHBondContact CE1-NE2 2.85Å; H69-H93 AromaticContact CG-CD2 3.75Å; H69-H93 AromaticContact ND1-CD2 3.56Å; H69-H93 AromaticContact ND1-CG 3.57Å; H69-H93 AromaticContact ND1-ND1 3.86Å; H69-H93 AromaticContact ND1-NE2 3.91Å; H69-H93 AromaticContact NE2-CD2 3.7Å; H69-H93 AromaticContact NE2-NE2 3.54Å
70L94.3Very high91.6Very high0 Ų036.4 Ų36.40%020%0.202CC..  trans-11915.7173.2-70164.4000111.1L46 L51 L54 F59 L68 N73 I75 F83 L92 H93 L94 N97L46-L70 HydrophobicContact CB-CD2 4Å; L46-L70 HydrophobicContact CD1-CD2 3.85Å; L51-L70 HydrophobicContact CD1-CD2 3.57Å; L54-L70 HydrophobicContact CD1-CD1 4Å; F59-L70 HydrophobicContact CZ-CD1 4.16Å; F59-L70 HydrophobicContact CZ-CD2 4.5Å; L68-L70 HydrophobicContact CD1-CD1 4.37Å; L68-L70 HydrophobicContact CD1-CD2 4.43Å; L68-L70 HydrophobicContact CD1-CG 4.07Å; L68-L70 HydrophobicContact CD2-CD1 3.94Å; L68-L70 HydrophobicContact CG-CD1 4Å; L68-L70 HydrophobicContact CG-CG 4.06Å; L70-N73 PolarHBondContact O-ND2 2.82Å; L70-I75 HydrophobicContact CB-CD1 4.06Å; L70-I75 HydrophobicContact CD2-CD1 4.43Å; L70-F83 HydrophobicContact CD1-CE1 4.22Å; L70-L92 HydrophobicContact CD1-CD1 4.28Å; L70-H93 CarbonylContact C-O 3.36Å; L70-H93 WeakPolarHBondContact CA-O 3.38Å; L70-H93 WeakPolarHBondContact CB-O 3.16Å; L70-H93 PolarHBondContact N-O 3.22Å; L70-L94 HydrophobicContact CB-CD2 3.85Å; L70-L94 HydrophobicContact CD1-CD2 3.93Å; L70-N97 PolarHBondContact O-ND2 3.39Å
71G86.4Confident91.5Very high0 Ų032.7 Ų32.70%018%0.184CC..  trans-64.3161.3-178.900000114T47 G48 N73 H93 N95T47-G71 WeakPolarHBondContact CA-O 3.29Å; G48-G71 PolarHBondContact N-O 3.39Å; G71-N73 PolarHBondContact O-N 3.18Å; G71-N73 PolarHBondContact O-ND2 2.9Å; G71-H93 PolarHBondContact N-O 3.38Å; G71-N95 CarbonylContact C-O 3.12Å; G71-N95 WeakPolarHBondContact CA-O 3.3Å; G71-N95 WeakPolarHBondContact CA-OD1 3.4Å
72N87.9Confident91.8Very high63 Ų6327.4 Ų27.434%0.33716%0.156SC..SBendtrans51.751.4179-62-55.3000112.4T47 G48 N95 N96T47-N72 HydrophobicContact CG2-CB 4.29Å; G48-N72 WeakPolarHBondContact CA-O 3.17Å; G48-N72 PolarHBondContact N-O 3.06Å; N72-N95 PolarHBondContact N-O 2.89Å; N72-N96 WeakPolarHBondContact CA-O 3.35Å; N72-N96 PolarHBondContact N-O 2.88Å; N72-N96 WeakPolarHBondContact OD1-CB 3.4Å; N72-N96 PolarHBondContact OD1-ND2 3.01Å
73N90.9Very high92Very high10 Ų1027 Ų275%0.05315%0.154CC..SBendtrans-127.2-178.4179.5-89.6-100.9000110.4L46 N49 L51 L70 G71 I75 N96 N97L46-N73 PolarHBondContact O-ND2 2.95Å; N49-N73 WeakPolarHBondContact CA-OD1 3.34Å; N49-N73 VanDerWaalsContact CB-OD1 3.26Å; N49-N73 WeakPolarHBondContact CB-OD1 3.36Å; N49-N73 PolarHBondContact N-ND2 3.32Å; N49-N73 PolarHBondContact O-OD1 3.01Å; L51-N73 HydrophobicContact CB-CB 4.5Å; L51-N73 WeakPolarHBondContact CB-OD1 3.23Å; L51-N73 WeakPolarHBondContact CG-OD1 3.3Å; L51-N73 PolarHBondContact N-OD1 3.33Å; L70-N73 PolarHBondContact O-ND2 2.82Å; G71-N73 PolarHBondContact O-N 3.18Å; G71-N73 PolarHBondContact O-ND2 2.9Å; N73-I75 HydrophobicContact CB-CD1 4.2Å; N73-I75 HydrophobicContact CB-CG1 4.03Å; N73-N96 PolarHBondContact N-O 2.89Å; N73-N97 WeakPolarHBondContact CA-OD1 3.28Å; N73-N97 WeakPolarHBondContact CB-OD1 3.28Å; N73-N97 PolarHBondContact O-OD1 3.43Å
74D94.5Very high92.1Very high36 Ų3624.3 Ų24.319%0.19314%0.136CC..  trans-95.113.1-179.2-109.60.2000112.8L51 K52 S76 K98L51-D74 CarbonylContact O-C 3.56Å; L51-D74 VanDerWaalsContact O-CA 3.25Å; L51-D74 WeakPolarHBondContact O-CA 3.01Å; L51-D74 WeakPolarHBondContact O-CB 3.22Å; L51-D74 PolarHBondContact O-N 2.84Å; K52-D74 HydrophobicContact CB-CB 4.45Å; K52-D74 HydrophobicContact CD-CB 4.15Å; K52-D74 WeakPolarHBondContact CE-OD2 3.41Å; K52-D74 HydrophobicContact CG-CB 3.88Å; K52-D74 IonicContact NZ-OD2 3.08Å; K52-D74 PolarHBondContact NZ-OD2 3.27Å; D74-S76 PolarHBondContact O-N 3.01Å; D74-S76 VanDerWaalsContact O-N 3.11Å; D74-K98 IonicContact OD1-NZ 2.64Å; D74-K98 PolarHBondContact OD1-NZ 3.49Å
75I96.9Very high92Very high0 Ų024.9 Ų24.90%014%0.142CC..  trans-68.1112.1-163.5-56.7168.5000110.7L51 K52 L54 L70 N73 I78 L94 N97 K98 I99L51-I75 HydrophobicContact CB-CD1 4.27Å; L51-I75 HydrophobicContact CB-CG1 3.94Å; L51-I75 VanDerWaalsContact O-CG1 3.31Å; L51-I75 WeakPolarHBondContact O-CG1 3.28Å; L51-I75 PolarHBondContact O-N 2.71Å; K52-I75 WeakPolarHBondContact O-CA 3.31Å; L54-I75 HydrophobicContact CD1-CD1 4.32Å; L54-I75 HydrophobicContact CD2-CD1 4.15Å; L54-I75 HydrophobicContact CG-CD1 4.26Å; L54-I75 HydrophobicContact CG-CG2 4.17Å; L70-I75 HydrophobicContact CB-CD1 4.06Å; L70-I75 HydrophobicContact CD2-CD1 4.43Å; N73-I75 HydrophobicContact CB-CD1 4.2Å; N73-I75 HydrophobicContact CB-CG1 4.03Å; I75-I78 HydrophobicContact CG2-CG1 4.1Å; I75-L94 HydrophobicContact CD1-CD2 4.4Å; I75-N97 HydrophobicContact CB-CB 4.43Å; I75-N97 WeakPolarHBondContact CB-OD1 3.45Å; I75-N97 WeakPolarHBondContact CG1-OD1 3.08Å; I75-N97 PolarHBondContact N-OD1 2.83Å; I75-K98 CarbonylContact O-C 3.45Å; I75-K98 VanDerWaalsContact O-C 3.23Å; I75-K98 VanDerWaalsContact O-CA 3.27Å; I75-K98 WeakPolarHBondContact O-CA 3.04Å; I75-K98 PolarHBondContact O-N 2.78Å; I75-I99 HydrophobicContact CG2-CG1 4.47Å; I75-I99 WeakPolarHBondContact O-CG1 3.39Å; I75-I99 PolarHBondContact O-N 3.28Å
76S94.8Very high92Very high61 Ų6124.9 Ų24.943%0.42714%0.142SC..  trans-111.6-16.3175.766.20000114.1K52 D74 K98K52-S76 PolarHBondContact O-N 3.22Å; D74-S76 PolarHBondContact O-N 3.01Å; D74-S76 VanDerWaalsContact O-N 3.11Å; S76-K98 WeakPolarHBondContact CA-O 3.35Å
77E92.2Very high92.1Very high80 Ų8030 Ų3037%0.37417%0.165SC..EExtended strand (participates in β ladder)trans-132.9128.3-178.2-165.7-172.9166.800111.4K53 L54K53-E77 CarbonylContact C-O 3.6Å; K53-E77 VanDerWaalsContact CA-O 3.26Å; K53-E77 WeakPolarHBondContact CA-O 3.37Å; K53-E77 HydrophobicContact CB-CB 4.43Å; K53-E77 HydrophobicContact CD-CB 4.31Å; K53-E77 HydrophobicContact CD-CG 4.4Å; K53-E77 VanDerWaalsContact CD-OE2 3.31Å; K53-E77 WeakPolarHBondContact CD-OE2 3.24Å; K53-E77 VanDerWaalsContact CE-CD 3.49Å; K53-E77 WeakPolarHBondContact CE-OE2 3.28Å; K53-E77 HydrophobicContact CG-CB 4.12Å; K53-E77 IonicContact NZ-OE1 2.63Å; K53-E77 PolarHBondContact NZ-OE1 3.35Å; K53-E77 IonicContact NZ-OE2 3.89Å; K53-E77 PolarHBondContact NZ-OE2 2.94Å; L54-E77 PolarHBondContact N-O 2.89Å
78I95.3Very high92.2Very high8 Ų830.5 Ų30.54%0.04118%0.175CC..EExtended strand (participates in β ladder)trans-119.8120.2170.1-54.4-179.6000107.3L54 I75 A82 F83 L94 I99 R103 T106L54-I78 HydrophobicContact CB-CG1 4.46Å; L54-I78 HydrophobicContact CB-CG2 4.32Å; L54-I78 HydrophobicContact CD1-CD1 4.17Å; L54-I78 HydrophobicContact CD1-CG1 4.1Å; L54-I78 HydrophobicContact CG-CG1 4.44Å; I75-I78 HydrophobicContact CG2-CG1 4.1Å; I78-A82 HydrophobicContact CG2-CB 3.91Å; I78-F83 HydrophobicContact CD1-CE2 4.33Å; I78-F83 HydrophobicContact CD1-CZ 4.21Å; I78-F83 HydrophobicContact CG2-CE2 3.98Å; I78-F83 HydrophobicContact CG2-CZ 4.39Å; I78-L94 HydrophobicContact CD1-CD1 4.36Å; I78-I99 HydrophobicContact CD1-CD1 3.85Å; I78-I99 HydrophobicContact CD1-CG1 4.48Å; I78-R103 PolarHBondContact O-NH1 3.42Å; I78-T106 HydrophobicContact CB-CG2 4.35Å; I78-T106 HydrophobicContact CD1-CG2 4.47Å; I78-T106 HydrophobicContact CG2-CG2 4.02Å
79E93Very high92.2Very high53 Ų5330.5 Ų30.525%0.24818%0.175CC..  trans-78.5148.4175.3-61-173.2142.200111.2K53 L54 S55 V56 G81 A82K53-E79 WeakPolarHBondContact CE-OE1 3.41Å; K53-E79 IonicContact NZ-OE1 2.66Å; K53-E79 PolarHBondContact NZ-OE1 2.86Å; L54-E79 PolarHBondContact O-N 3.07Å; S55-E79 WeakPolarHBondContact CA-OE2 2.99Å; S55-E79 VanDerWaalsContact CB-OE2 3.24Å; S55-E79 WeakPolarHBondContact CB-OE2 3.48Å; S55-E79 PolarHBondContact OG-OE2 3.42Å; V56-E79 HydrophobicContact CG2-CB 3.55Å; V56-E79 HydrophobicContact CG2-CG 4.44Å; V56-E79 PolarHBondContact N-OE2 3.45Å; E79-G81 PolarHBondContact O-N 2.92Å; E79-A82 WeakPolarHBondContact O-CB 3Å; E79-A82 PolarHBondContact O-N 3.09Å
80S89.5Confident92.2Very high53 Ų5332.5 Ų32.537%0.37118%0.183SC..THydrogen-bonded Turntrans-57119.6178.4-60.80000111.3V56V56-S80 WeakPolarHBondContact CG2-O 3.33Å
81G89.3Confident91.8Very high4 Ų433.9 Ų33.94%0.04119%0.189CC..THydrogen-bonded Turntrans78.222.5-17500000115.2N57 E79 F83 N84 D105N57-G81 PolarHBondContact N-O 3.18Å; N57-G81 VanDerWaalsContact N-O 3.08Å; E79-G81 PolarHBondContact O-N 2.92Å; G81-F83 VanDerWaalsContact C-N 3.26Å; G81-F83 PolarHBondContact O-N 2.96Å; G81-N84 VanDerWaalsContact O-CB 3.28Å; G81-N84 WeakPolarHBondContact O-CB 3.36Å; G81-N84 PolarHBondContact O-N 2.97Å; G81-N84 PolarHBondContact O-ND2 3.3Å; G81-N84 VanDerWaalsContact O-ND2 3.14Å; G81-D105 PolarHBondContact N-O 3.02Å
82A94.6Very high92.3Very high0 Ų033.9 Ų33.90%019%0.189CC..THydrogen-bonded Turntrans-57.6-40.7168.900000112.2L54 S55 I78 E79 N84L54-A82 HydrophobicContact CB-CB 3.89Å; S55-A82 VanDerWaalsContact O-CA 3.28Å; S55-A82 WeakPolarHBondContact O-CA 3.5Å; S55-A82 WeakPolarHBondContact O-CB 3.47Å; I78-A82 HydrophobicContact CG2-CB 3.91Å; E79-A82 WeakPolarHBondContact O-CB 3Å; E79-A82 PolarHBondContact O-N 3.09Å; A82-N84 PolarHBondContact O-N 3.08Å
83F95.7Very high92.3Very high0 Ų031 Ų310%017%0.173CC..THydrogen-bonded Turntrans-80.910177.9-55.6-61.8000114.8L54 F59 L70 I78 G81 G85 L86 L92 L94 T106 F107 T108 L110L54-F83 HydrophobicContact CD1-CE1 3.71Å; L54-F83 HydrophobicContact CD1-CZ 3.64Å; F59-F83 AromaticContact CD2-CD1 3.89Å; F59-F83 HydrophobicContact CD2-CD1 3.89Å; F59-F83 HydrophobicContact CD2-CE1 4.45Å; F59-F83 AromaticContact CE2-CD1 3.94Å; F59-F83 HydrophobicContact CE2-CD1 3.94Å; F59-F83 HydrophobicContact CE2-CE1 4.03Å; L70-F83 HydrophobicContact CD1-CE1 4.22Å; I78-F83 HydrophobicContact CD1-CE2 4.33Å; I78-F83 HydrophobicContact CD1-CZ 4.21Å; I78-F83 HydrophobicContact CG2-CE2 3.98Å; I78-F83 HydrophobicContact CG2-CZ 4.39Å; G81-F83 VanDerWaalsContact C-N 3.26Å; G81-F83 PolarHBondContact O-N 2.96Å; F83-G85 PolarHBondContact O-N 3.22Å; F83-L86 HydrophobicContact CB-CD1 4.12Å; F83-L86 HydrophobicContact CD1-CD1 3.85Å; F83-L86 HydrophobicContact CG-CD1 4.44Å; F83-L86 WeakPolarHBondContact O-CB 3.43Å; F83-L86 PolarHBondContact O-N 3.16Å; F83-L92 HydrophobicContact CE1-CD1 4.4Å; F83-L92 HydrophobicContact CE1-CD2 4.26Å; F83-L92 HydrophobicContact CE2-CD2 4.31Å; F83-L92 HydrophobicContact CZ-CD2 4.04Å; F83-L94 HydrophobicContact CZ-CD1 4.23Å; F83-T106 WeakPolarHBondContact CD2-O 3.22Å; F83-F107 HydrophobicContact CD2-CD1 4.26Å; F83-F107 HydrophobicContact CE2-CD1 4Å; F83-F107 HydrophobicContact CE2-CE1 4.32Å; F83-T108 CarbonylContact C-O 3.49Å; F83-L110 HydrophobicContact CB-CD1 4.1Å; F83-L110 HydrophobicContact CB-CD2 3.85Å; F83-L110 HydrophobicContact CB-CG 3.83Å; F83-L110 HydrophobicContact CD2-CD1 3.93Å; F83-L110 HydrophobicContact CG-CD1 3.98Å; F83-L110 HydrophobicContact CG-CD2 4.42Å; F83-L110 HydrophobicContact CG-CG 4.29Å
84N92.8Very high92.5Very high44 Ų4430.5 Ų30.524%0.23517%0.171CC..THydrogen-bonded Turntrans-55.4132.6172.7-76.6-16.4000110.4N57 F59 I60 G81 A82N57-N84 VanDerWaalsContact OD1-CB 3.3Å; N57-N84 WeakPolarHBondContact OD1-CB 3.2Å; N57-N84 PolarHBondContact OD1-ND2 3.14Å; F59-N84 CarbonylContact C-O 3.43Å; I60-N84 VanDerWaalsContact CA-O 3.23Å; I60-N84 WeakPolarHBondContact CA-O 3.5Å; I60-N84 PolarHBondContact N-O 3.43Å; I60-N84 VanDerWaalsContact N-O 3.16Å; G81-N84 VanDerWaalsContact O-CB 3.28Å; G81-N84 WeakPolarHBondContact O-CB 3.36Å; G81-N84 PolarHBondContact O-N 2.97Å; G81-N84 PolarHBondContact O-ND2 3.3Å; G81-N84 VanDerWaalsContact O-ND2 3.14Å; A82-N84 PolarHBondContact O-N 3.08Å
85G86.9Confident92.3Very high20 Ų2029.7 Ų29.721%0.20617%0.166CC..THydrogen-bonded Turntrans102.5-25-175.700000114.4F83 Q87F83-G85 PolarHBondContact O-N 3.22Å; G85-Q87 PolarHBondContact O-N 3.28Å
86L94.4Very high91.9Very high0 Ų033.4 Ų33.40%019%0.186CC..  trans-79.540.1-177.3-63-177.6000114.1F59 Y62 V65 L68 F83 G88 L89 G109 L110F59-L86 HydrophobicContact CB-CD1 3.78Å; F59-L86 HydrophobicContact CB-CD2 3.84Å; F59-L86 HydrophobicContact CB-CG 3.59Å; F59-L86 HydrophobicContact CD1-CD1 4.17Å; F59-L86 HydrophobicContact CD1-CD2 4.31Å; F59-L86 HydrophobicContact CD2-CD1 4.02Å; F59-L86 HydrophobicContact CG-CD1 3.73Å; F59-L86 HydrophobicContact CG-CD2 4.29Å; F59-L86 HydrophobicContact CG-CG 4.11Å; Y62-L86 WeakPolarHBondContact O-CD2 3.48Å; V65-L86 HydrophobicContact CB-CD2 4Å; V65-L86 HydrophobicContact CG2-CD2 4.34Å; L68-L86 HydrophobicContact CD2-CD1 3.69Å; F83-L86 HydrophobicContact CB-CD1 4.12Å; F83-L86 HydrophobicContact CD1-CD1 3.85Å; F83-L86 HydrophobicContact CG-CD1 4.44Å; F83-L86 WeakPolarHBondContact O-CB 3.43Å; F83-L86 PolarHBondContact O-N 3.16Å; L86-G88 PolarHBondContact O-N 2.86Å; L86-G88 VanDerWaalsContact O-N 3.16Å; L86-L89 HydrophobicContact CB-CB 4.07Å; L86-L89 HydrophobicContact CD1-CD2 4.22Å; L86-L89 VanDerWaalsContact O-CB 3.28Å; L86-L89 WeakPolarHBondContact O-CB 3.33Å; L86-L89 PolarHBondContact O-N 3.3Å; L86-G109 CarbonylContact C-O 3.57Å; L86-L110 HydrophobicContact CB-CD2 3.57Å; L86-L110 HydrophobicContact CD1-CD2 4.18Å
87Q90.4Very high91.8Very high127 Ų12730.6 Ų30.659%0.59317%0.166SC*.THydrogen-bonded Turntrans-64.6-20.6-175.1-68.7-171-35.800114.2G85 G109 S112G85-Q87 PolarHBondContact O-N 3.28Å; Q87-G109 WeakPolarHBondContact CA-O 3.33Å; Q87-S112 VanDerWaalsContact O-CB 3.23Å; Q87-S112 WeakPolarHBondContact O-CB 3.49Å; Q87-S112 PolarHBondContact O-OG 2.7Å
88G91.5Very high91.9Very high33 Ų3331.5 Ų31.534%0.3417%0.169SC..THydrogen-bonded Turntrans-92.40.3174.800000115.2V65 L86 K90V65-G88 CarbonylContact O-C 3.58Å; L86-G88 PolarHBondContact O-N 2.86Å; L86-G88 VanDerWaalsContact O-N 3.16Å; G88-K90 PolarHBondContact O-N 2.8Å
89L96.2Very high91.9Very high0 Ų031.3 Ų31.30%017%0.168CC..  trans-72.8120.7-173.9-168.678000111.4V65 L68 L86 R91 L92 L110 S112 L113V65-L89 HydrophobicContact CB-CD1 4.37Å; V65-L89 HydrophobicContact CG1-CD1 3.65Å; V65-L89 WeakPolarHBondContact O-CA 3.42Å; V65-L89 PolarHBondContact O-N 3.02Å; L68-L89 HydrophobicContact CB-CD1 3.64Å; L68-L89 HydrophobicContact CB-CD2 4.22Å; L86-L89 HydrophobicContact CB-CB 4.07Å; L86-L89 HydrophobicContact CD1-CD2 4.22Å; L86-L89 VanDerWaalsContact O-CB 3.28Å; L86-L89 WeakPolarHBondContact O-CB 3.33Å; L86-L89 PolarHBondContact O-N 3.3Å; L89-R91 WeakPolarHBondContact CD1-O 3.17Å; L89-L92 HydrophobicContact CD2-CB 3.99Å; L89-L92 HydrophobicContact CD2-CD1 4.4Å; L89-L110 HydrophobicContact CB-CD2 4.06Å; L89-L110 HydrophobicContact CD2-CD1 4.49Å; L89-L110 HydrophobicContact CD2-CD2 3.59Å; L89-L110 HydrophobicContact CG-CD2 4.44Å; L89-S112 CarbonylContact O-C 3.55Å; L89-S112 VanDerWaalsContact O-O 3.14Å; L89-L113 HydrophobicContact CD2-CD1 4.02Å; L89-L113 HydrophobicContact CG-CD1 4.21Å; L89-L113 VanDerWaalsContact O-CA 3.31Å; L89-L113 WeakPolarHBondContact O-CA 3.15Å; L89-L113 PolarHBondContact O-N 3.19Å
90K87.9Confident92Very high90 Ų9032.8 Ų32.839%0.39118%0.178SC..  trans-94.4-34.7176.7-72.7171154.4-72.80113T66 G88 E114 Y115T66-K90 PolarHBondContact O-N 2.57Å; G88-K90 PolarHBondContact O-N 2.8Å; K90-E114 WeakPolarHBondContact CG-OE2 3.3Å; K90-E114 IonicContact NZ-OE1 2.75Å; K90-E114 PolarHBondContact NZ-OE1 2.92Å; K90-E114 IonicContact NZ-OE2 3.49Å; K90-E114 PolarHBondContact NZ-OE2 3.48Å; K90-E114 WeakPolarHBondContact O-CA 3.49Å; K90-E114 PolarHBondContact O-N 3.41Å; K90-Y115 PolarHBondContact O-N 3.03Å; K90-Y115 VanDerWaalsContact O-N 3.07Å
91R86.5Confident92.2Very high29 Ų2932.3 Ų32.311%0.10917%0.17CC..EExtended strand (participates in β ladder)trans-132.6137.7-177.9-51.8-161.2178.3155.7-20.8112.9T66 I67 L68 L89 Y115 E799 T803T66-R91 PolarHBondContact O-N 2.03Å; I67-R91 HydrophobicContact CB-CB 4.48Å; I67-R91 HydrophobicContact CD1-CG 4.42Å; I67-R91 HydrophobicContact CG1-CB 4.11Å; I67-R91 HydrophobicContact CG1-CG 4.2Å; I67-R91 HydrophobicContact CG2-CB 4.16Å; L68-R91 PolarHBondContact N-O 2.76Å; L89-R91 WeakPolarHBondContact CD1-O 3.17Å; R91-Y115 HydrophobicContact CB-CD1 4.18Å; R91-Y115 HydrophobicContact CG-CD1 4.47Å; R91-E799 WeakPolarHBondContact CD-OE1 3.43Å; R91-E799 IonicContact CZ-OE1 2.94Å; R91-E799 IonicContact NE-OE1 2.82Å; R91-E799 PolarHBondContact NE-OE1 3.38Å; R91-E799 IonicContact NH1-OE1 2.7Å; R91-E799 PolarHBondContact NH1-OE1 2.93Å; R91-E799 PolarHBondContact NH2-O 2.99Å; R91-E799 IonicContact NH2-OE1 3.23Å; R91-T803 PolarHBondContact NH2-OG1 3.35Å
92L96.1Very high92.5Very high0 Ų032.1 Ų32.10%017%0.169CC..EExtended strand (participates in β ladder)trans-134.3125.4178.4178.357000110.6L68 L70 F83 L89 L94 F107 L110 L113 Y115 L116 Q117L68-L92 HydrophobicContact CB-CD1 4.19Å; L68-L92 HydrophobicContact CD2-CD1 4.02Å; L68-L92 HydrophobicContact CG-CD1 4.02Å; L70-L92 HydrophobicContact CD1-CD1 4.28Å; F83-L92 HydrophobicContact CE1-CD1 4.4Å; F83-L92 HydrophobicContact CE1-CD2 4.26Å; F83-L92 HydrophobicContact CE2-CD2 4.31Å; F83-L92 HydrophobicContact CZ-CD2 4.04Å; L89-L92 HydrophobicContact CD2-CB 3.99Å; L89-L92 HydrophobicContact CD2-CD1 4.4Å; L92-L94 HydrophobicContact CD1-CD1 4.42Å; L92-L94 HydrophobicContact CD1-CG 4.17Å; L92-L94 HydrophobicContact CD2-CD1 3.89Å; L92-L94 HydrophobicContact CD2-CG 4.5Å; L92-L94 HydrophobicContact CG-CD1 4.04Å; L92-L94 HydrophobicContact CG-CG 4.13Å; L92-F107 HydrophobicContact CD2-CD1 4.42Å; L92-F107 HydrophobicContact CD2-CE1 4.4Å; L92-L110 HydrophobicContact CD2-CD1 3.56Å; L92-L113 HydrophobicContact CB-CD1 3.76Å; L92-L113 HydrophobicContact CB-CD2 4.43Å; L92-Y115 PolarHBondContact N-O 3.35Å; L92-Y115 VanDerWaalsContact N-O 3.14Å; L92-L116 HydrophobicContact CB-CD1 4.17Å; L92-L116 HydrophobicContact CD2-CD1 4.07Å; L92-L116 HydrophobicContact CG-CD1 4.12Å; L92-Q117 PolarHBondContact O-N 3.42Å
93H89.8Confident92.4Very high3 Ų336 Ų361%0.01418%0.183CC..EExtended strand (participates in β ladder)trans-116.1118.1177.7-46.7-113.8000109.1L68 H69 L70 G71 Y115 Q117 E799L68-H93 PolarHBondContact O-N 2.56Å; H69-H93 AromaticContact CD2-CD2 3.83Å; H69-H93 AromaticContact CE1-CD2 3.51Å; H69-H93 AromaticContact CE1-CE1 3.52Å; H69-H93 AromaticContact CE1-CG 3.82Å; H69-H93 AromaticContact CE1-ND1 3.81Å; H69-H93 AromaticContact CE1-NE2 3.38Å; H69-H93 PolarHBondContact CE1-NE2 2.85Å; H69-H93 AromaticContact CG-CD2 3.75Å; H69-H93 AromaticContact ND1-CD2 3.56Å; H69-H93 AromaticContact ND1-CG 3.57Å; H69-H93 AromaticContact ND1-ND1 3.86Å; H69-H93 AromaticContact ND1-NE2 3.91Å; H69-H93 AromaticContact NE2-CD2 3.7Å; H69-H93 AromaticContact NE2-NE2 3.54Å; L70-H93 CarbonylContact C-O 3.36Å; L70-H93 WeakPolarHBondContact CA-O 3.38Å; L70-H93 WeakPolarHBondContact CB-O 3.16Å; L70-H93 PolarHBondContact N-O 3.22Å; G71-H93 PolarHBondContact N-O 3.38Å; H93-Y115 AromaticContact CE1-CE1 3.51Å; H93-Y115 AromaticContact ND1-CE1 3.75Å; H93-Q117 HydrophobicContact CB-CB 4.39Å; H93-Q117 HydrophobicContact CB-CG 4.12Å; H93-Q117 PolarHBondContact ND1-OE1 3.15Å; H93-E799 IonicContact CE1-OE1 3.72Å; H93-E799 PolarHBondContact CE1-OE1 2.98Å; H93-E799 IonicContact CE1-OE2 3.97Å; H93-E799 PolarHBondContact CE1-OE2 3.13Å; H93-E799 IonicContact NE2-OE1 3.48Å
94L94.6Very high92.1Very high0 Ų038.3 Ų38.30%020%0.195CC..  trans-123.219.5178.7-73.3164.5000111L70 I75 I78 F83 L92 N97 I99 F107 Q117 I118 N121L70-L94 HydrophobicContact CB-CD2 3.85Å; L70-L94 HydrophobicContact CD1-CD2 3.93Å; I75-L94 HydrophobicContact CD1-CD2 4.4Å; I78-L94 HydrophobicContact CD1-CD1 4.36Å; F83-L94 HydrophobicContact CZ-CD1 4.23Å; L92-L94 HydrophobicContact CD1-CD1 4.42Å; L92-L94 HydrophobicContact CD1-CG 4.17Å; L92-L94 HydrophobicContact CD2-CD1 3.89Å; L92-L94 HydrophobicContact CD2-CG 4.5Å; L92-L94 HydrophobicContact CG-CD1 4.04Å; L92-L94 HydrophobicContact CG-CG 4.13Å; L94-N97 WeakPolarHBondContact O-CB 3.47Å; L94-N97 PolarHBondContact O-ND2 2.67Å; L94-N97 VanDerWaalsContact O-ND2 3.17Å; L94-I99 HydrophobicContact CB-CD1 4.21Å; L94-I99 HydrophobicContact CD1-CD1 4.42Å; L94-I99 HydrophobicContact CD2-CD1 4.36Å; L94-F107 HydrophobicContact CD1-CE1 4.26Å; L94-Q117 PolarHBondContact N-O 3.14Å; L94-I118 HydrophobicContact CB-CB 4.27Å; L94-I118 HydrophobicContact CB-CD1 4.07Å; L94-I118 HydrophobicContact CB-CG1 3.77Å; L94-I118 HydrophobicContact CD1-CD1 3.86Å; L94-I118 HydrophobicContact CD1-CG1 4.48Å; L94-N121 PolarHBondContact O-ND2 3.01Å
95N90.6Very high91.9Very high19 Ų1940.4 Ų40.410%0.10221%0.207CC..  trans-61.8150-17760.6-41.6000113.6G71 N72 N97 Q117 D119G71-N95 CarbonylContact C-O 3.12Å; G71-N95 WeakPolarHBondContact CA-O 3.3Å; G71-N95 WeakPolarHBondContact CA-OD1 3.4Å; N72-N95 PolarHBondContact N-O 2.89Å; N95-N97 PolarHBondContact O-N 3.2Å; N95-N97 PolarHBondContact O-ND2 2.02Å; N95-Q117 HydrophobicContact CB-CG 3.71Å; N95-Q117 PolarHBondContact ND2-NE2 3.36Å; N95-D119 WeakPolarHBondContact CA-O 3.4Å; N95-D119 WeakPolarHBondContact CB-OD1 3.44Å
96N87.3Confident92.1Very high77 Ų7739.5 Ų39.541%0.41220%0.197SC..SBendtrans4863.2-179.9-168.321.7000112.5N72 N73 D119 Y120N72-N96 WeakPolarHBondContact CA-O 3.35Å; N72-N96 PolarHBondContact N-O 2.88Å; N72-N96 WeakPolarHBondContact OD1-CB 3.4Å; N72-N96 PolarHBondContact OD1-ND2 3.01Å; N73-N96 PolarHBondContact N-O 2.89Å; N96-D119 PolarHBondContact N-O 3.4Å; N96-D119 VanDerWaalsContact N-O 3.15Å; N96-Y120 VanDerWaalsContact CA-O 3.3Å; N96-Y120 WeakPolarHBondContact CA-O 3.4Å
97N92.5Very high92.1Very high3 Ų339.6 Ų39.62%0.01620%0.198CC..SBendtrans-130.6-162.7177.9-90-83.2000109.4L70 N73 I75 L94 N95 I99 Y120 N121 Y122L70-N97 PolarHBondContact O-ND2 3.39Å; N73-N97 WeakPolarHBondContact CA-OD1 3.28Å; N73-N97 WeakPolarHBondContact CB-OD1 3.28Å; N73-N97 PolarHBondContact O-OD1 3.43Å; I75-N97 HydrophobicContact CB-CB 4.43Å; I75-N97 WeakPolarHBondContact CB-OD1 3.45Å; I75-N97 WeakPolarHBondContact CG1-OD1 3.08Å; I75-N97 PolarHBondContact N-OD1 2.83Å; L94-N97 WeakPolarHBondContact O-CB 3.47Å; L94-N97 PolarHBondContact O-ND2 2.67Å; L94-N97 VanDerWaalsContact O-ND2 3.17Å; N95-N97 PolarHBondContact O-N 3.2Å; N95-N97 PolarHBondContact O-ND2 2.02Å; N97-I99 HydrophobicContact CB-CD1 4.48Å; N97-I99 HydrophobicContact CB-CG1 4.39Å; N97-Y120 PolarHBondContact N-O 3.34Å; N97-N121 WeakPolarHBondContact CA-OD1 3.34Å; N97-N121 VanDerWaalsContact CB-OD1 3.22Å; N97-N121 WeakPolarHBondContact CB-OD1 3.35Å; N97-N121 PolarHBondContact O-OD1 2.78Å; N97-Y122 WeakPolarHBondContact O-CE2 3.44Å
98K95.1Very high92.1Very high99 Ų9935.4 Ų35.443%0.4318%0.181SC..  trans-123.424.3-171.7-70.1172.9-179166.70113.3D74 I75 S76 N121 Y122D74-K98 IonicContact OD1-NZ 2.64Å; D74-K98 PolarHBondContact OD1-NZ 3.49Å; I75-K98 CarbonylContact O-C 3.45Å; I75-K98 VanDerWaalsContact O-C 3.23Å; I75-K98 VanDerWaalsContact O-CA 3.27Å; I75-K98 WeakPolarHBondContact O-CA 3.04Å; I75-K98 PolarHBondContact O-N 2.78Å; S76-K98 WeakPolarHBondContact CA-O 3.35Å; K98-N121 PolarHBondContact N-OD1 3.44Å; K98-Y122 HydrophobicContact CG-CE2 4.17Å
99I96.3Very high92.1Very high4 Ų434.1 Ų34.12%0.02117%0.168CC..  trans-74.6130.9-175.3-53.2168.6000109.7I75 I78 L94 N97 L102 I118 N121 Y122 I123I75-I99 HydrophobicContact CG2-CG1 4.47Å; I75-I99 WeakPolarHBondContact O-CG1 3.39Å; I75-I99 PolarHBondContact O-N 3.28Å; I78-I99 HydrophobicContact CD1-CD1 3.85Å; I78-I99 HydrophobicContact CD1-CG1 4.48Å; L94-I99 HydrophobicContact CB-CD1 4.21Å; L94-I99 HydrophobicContact CD1-CD1 4.42Å; L94-I99 HydrophobicContact CD2-CD1 4.36Å; N97-I99 HydrophobicContact CB-CD1 4.48Å; N97-I99 HydrophobicContact CB-CG1 4.39Å; I99-L102 HydrophobicContact CG2-CD2 3.92Å; I99-I118 HydrophobicContact CD1-CD1 3.85Å; I99-I118 HydrophobicContact CD1-CG1 4.21Å; I99-N121 WeakPolarHBondContact CB-OD1 3.32Å; I99-N121 WeakPolarHBondContact CG1-OD1 3.15Å; I99-N121 PolarHBondContact N-OD1 3.49Å; I99-Y122 CarbonylContact O-C 3.49Å; I99-Y122 VanDerWaalsContact O-C 3.23Å; I99-Y122 WeakPolarHBondContact O-CA 3.32Å; I99-Y122 PolarHBondContact O-N 2.84Å; I99-I123 HydrophobicContact CB-CG1 4.37Å; I99-I123 HydrophobicContact CG2-CD1 4.49Å; I99-I123 HydrophobicContact CG2-CG1 4.16Å; I99-I123 WeakPolarHBondContact O-CG1 3.23Å; I99-I123 PolarHBondContact O-N 3.4Å
100D94.1Very high92Very high84 Ų8434.1 Ų34.145%0.44917%0.168SC..  trans-114.9-21.6-175.371.3-27.4000114.8I123 T124D100-I123 WeakPolarHBondContact O-CA 3.37Å; D100-T124 PolarHBondContact O-N 3.14Å; D100-T124 PolarHBondContact O-OG1 3.37Å; D100-T124 VanDerWaalsContact O-OG1 3.14Å
101L93.6Very high92.3Very high42 Ų4234.3 Ų34.322%0.2217%0.17CC..EExtended strand (participates in β ladder)trans-146.3128.7-175.3172.664.2000111.2R103 T125 E127L101-R103 HydrophobicContact CD2-CG 4.03Å; L101-R103 HydrophobicContact CG-CG 4.06Å; L101-T125 HydrophobicContact CD1-CG2 3.87Å; L101-E127 HydrophobicContact CD1-CG 4.35Å
102L94.8Very high92.7Very high0 Ų034.5 Ų34.50%018%0.176CC..EExtended strand (participates in β ladder)trans-100.8119.1167.7-59.1-177.3000109.9I99 T106 F107 I118 I123 T125 I126 E127I99-L102 HydrophobicContact CG2-CD2 3.92Å; L102-T106 HydrophobicContact CD2-CG2 4.35Å; L102-F107 HydrophobicContact CD1-CE2 4.03Å; L102-F107 HydrophobicContact CD1-CZ 4.08Å; L102-F107 HydrophobicContact CD2-CE2 4.45Å; L102-F107 HydrophobicContact CD2-CZ 4.04Å; L102-I118 HydrophobicContact CD1-CD1 4.4Å; L102-I118 HydrophobicContact CD2-CD1 3.91Å; L102-I123 HydrophobicContact CD1-CD1 3.99Å; L102-I123 HydrophobicContact CD2-CD1 4.23Å; L102-I123 HydrophobicContact CG-CD1 4.03Å; L102-I123 HydrophobicContact CG-CG2 4.16Å; L102-T125 PolarHBondContact N-O 3.15Å; L102-T125 VanDerWaalsContact N-O 3.15Å; L102-I126 HydrophobicContact CB-CB 4.49Å; L102-I126 HydrophobicContact CB-CG1 4.27Å; L102-I126 HydrophobicContact CB-CG2 4.22Å; L102-I126 HydrophobicContact CD1-CD1 4.2Å; L102-I126 HydrophobicContact CD1-CG1 4.12Å; L102-I126 HydrophobicContact CG-CG1 4.45Å; L102-I126 CarbonylContact O-C 3.23Å; L102-I126 WeakPolarHBondContact O-CA 3.01Å; L102-E127 PolarHBondContact O-N 2.96Å
103R93.4Very high92.7Very high83 Ų8334.5 Ų34.531%0.31318%0.176SC..  trans-92.5161.7-177.8-61.3-175.7-17691.66.7112.4I78 L101 D105 T106 E127 A130I78-R103 PolarHBondContact O-NH1 3.42Å; L101-R103 HydrophobicContact CD2-CG 4.03Å; L101-R103 HydrophobicContact CG-CG 4.06Å; R103-D105 PolarHBondContact O-N 3.03Å; R103-D105 VanDerWaalsContact O-N 3.13Å; R103-T106 WeakPolarHBondContact CA-OG1 3.47Å; R103-T106 WeakPolarHBondContact CB-OG1 3.37Å; R103-T106 PolarHBondContact N-OG1 2.9Å; R103-T106 WeakPolarHBondContact O-CB 3.21Å; R103-T106 PolarHBondContact O-N 2.84Å; R103-T106 PolarHBondContact O-OG1 3.5Å; R103-E127 WeakPolarHBondContact CA-OE2 3.36Å; R103-E127 VanDerWaalsContact CB-OE2 3.32Å; R103-E127 WeakPolarHBondContact CB-OE2 3.48Å; R103-A130 WeakPolarHBondContact O-CB 3.42Å
104D90.2Very high92.8Very high47 Ų4736 Ų3625%0.25118%0.183SC..THydrogen-bonded Turntrans-51.5-38.6-177.7-90.3-0.6000113.5E127 N129 A130D104-E127 HydrophobicContact CB-CB 4.46Å; D104-E127 PolarHBondContact N-OE2 2.04Å; D104-E127 VanDerWaalsContact OD1-C 3.22Å; D104-E127 WeakPolarHBondContact OD1-CB 3.5Å; D104-N129 HydrophobicContact CB-CB 4.16Å; D104-N129 WeakPolarHBondContact OD1-CA 3.47Å; D104-N129 WeakPolarHBondContact OD1-CB 3.43Å; D104-N129 PolarHBondContact OD1-N 2.92Å; D104-N129 PolarHBondContact OD2-ND2 2.8Å; D104-A130 WeakPolarHBondContact O-CA 3.48Å
105D87.2Confident92.5Very high88 Ų8836.1 Ų36.147%0.47118%0.183SC..THydrogen-bonded Turntrans-99.76.2-178.2-64.3-45.4000113.9G81 R103 F107 T108G81-D105 PolarHBondContact N-O 3.02Å; R103-D105 PolarHBondContact O-N 3.03Å; R103-D105 VanDerWaalsContact O-N 3.13Å; D105-F107 PolarHBondContact O-N 3.02Å; D105-T108 WeakPolarHBondContact CA-OG1 3.35Å; D105-T108 VanDerWaalsContact O-CB 3.32Å; D105-T108 WeakPolarHBondContact O-CB 3.4Å; D105-T108 PolarHBondContact O-N 2.83Å; D105-T108 VanDerWaalsContact O-N 3.14Å; D105-T108 PolarHBondContact O-OG1 2.91Å
106T91.3Very high92.8Very high2 Ų235.2 Ų35.21%0.01218%0.178CC..THydrogen-bonded Turntrans-56.7-46.7-171.5-700000112.6I78 F83 L102 R103 T108I78-T106 HydrophobicContact CB-CG2 4.35Å; I78-T106 HydrophobicContact CD1-CG2 4.47Å; I78-T106 HydrophobicContact CG2-CG2 4.02Å; F83-T106 WeakPolarHBondContact CD2-O 3.22Å; L102-T106 HydrophobicContact CD2-CG2 4.35Å; R103-T106 WeakPolarHBondContact CA-OG1 3.47Å; R103-T106 WeakPolarHBondContact CB-OG1 3.37Å; R103-T106 PolarHBondContact N-OG1 2.9Å; R103-T106 WeakPolarHBondContact O-CB 3.21Å; R103-T106 PolarHBondContact O-N 2.84Å; R103-T106 PolarHBondContact O-OG1 3.5Å; T106-T108 VanDerWaalsContact C-N 3.33Å; T106-T108 PolarHBondContact O-N 3.11Å
107F94.3Very high93Very high2 Ų231.6 Ų31.61%0.00916%0.159CC..THydrogen-bonded Turntrans-94.923.4-178.2-54.9-63.3000113.6F83 L92 L94 L102 D105 G109 L110 L116 I118 L131 L134F83-F107 HydrophobicContact CD2-CD1 4.26Å; F83-F107 HydrophobicContact CE2-CD1 4Å; F83-F107 HydrophobicContact CE2-CE1 4.32Å; L92-F107 HydrophobicContact CD2-CD1 4.42Å; L92-F107 HydrophobicContact CD2-CE1 4.4Å; L94-F107 HydrophobicContact CD1-CE1 4.26Å; L102-F107 HydrophobicContact CD1-CE2 4.03Å; L102-F107 HydrophobicContact CD1-CZ 4.08Å; L102-F107 HydrophobicContact CD2-CE2 4.45Å; L102-F107 HydrophobicContact CD2-CZ 4.04Å; D105-F107 PolarHBondContact O-N 3.02Å; F107-G109 PolarHBondContact O-N 2.87Å; F107-L110 HydrophobicContact CB-CD1 4.13Å; F107-L110 HydrophobicContact CD1-CD1 3.99Å; F107-L110 WeakPolarHBondContact O-CB 3.49Å; F107-L110 PolarHBondContact O-N 3.17Å; F107-L116 HydrophobicContact CE1-CD1 4.23Å; F107-L116 HydrophobicContact CE1-CD2 4.25Å; F107-L116 HydrophobicContact CE2-CD2 4Å; F107-L116 HydrophobicContact CZ-CD1 4.41Å; F107-L116 HydrophobicContact CZ-CD2 3.82Å; F107-I118 HydrophobicContact CZ-CD1 4.37Å; F107-L131 HydrophobicContact CD2-CD2 4.11Å; F107-L131 HydrophobicContact CE2-CD2 4.01Å; F107-L134 HydrophobicContact CB-CD1 4.13Å; F107-L134 HydrophobicContact CB-CD2 3.89Å; F107-L134 HydrophobicContact CB-CG 4.37Å; F107-L134 HydrophobicContact CD2-CD1 4.02Å; F107-L134 HydrophobicContact CG-CD1 4.23Å
108T91.9Very high93.1Very high38 Ų3831.4 Ų31.423%0.23316%0.158CC..THydrogen-bonded Turntrans-60.4131.1174.4-58.30000110.6F83 D105 T106F83-T108 CarbonylContact C-O 3.49Å; D105-T108 WeakPolarHBondContact CA-OG1 3.35Å; D105-T108 VanDerWaalsContact O-CB 3.32Å; D105-T108 WeakPolarHBondContact O-CB 3.4Å; D105-T108 PolarHBondContact O-N 2.83Å; D105-T108 VanDerWaalsContact O-N 3.14Å; D105-T108 PolarHBondContact O-OG1 2.91Å; T106-T108 VanDerWaalsContact C-N 3.33Å; T106-T108 PolarHBondContact O-N 3.11Å
109G90.1Very high92.7Very high7 Ų726.8 Ų26.87%0.07214%0.138CC..THydrogen-bonded Turntrans102.7-19-174.100000114.5L86 Q87 F107 E111L86-G109 CarbonylContact C-O 3.57Å; Q87-G109 WeakPolarHBondContact CA-O 3.33Å; F107-G109 PolarHBondContact O-N 2.87Å; G109-E111 VanDerWaalsContact C-N 3.35Å; G109-E111 PolarHBondContact O-N 3.07Å
110L95.6Very high92.2Very high0 Ų028.5 Ų28.50%015%0.145CC..  trans-92.643.4-173.1-58.5-174000114.2F83 L86 L89 L92 F107 S112 L113 L134F83-L110 HydrophobicContact CB-CD1 4.1Å; F83-L110 HydrophobicContact CB-CD2 3.85Å; F83-L110 HydrophobicContact CB-CG 3.83Å; F83-L110 HydrophobicContact CD2-CD1 3.93Å; F83-L110 HydrophobicContact CG-CD1 3.98Å; F83-L110 HydrophobicContact CG-CD2 4.42Å; F83-L110 HydrophobicContact CG-CG 4.29Å; L86-L110 HydrophobicContact CB-CD2 3.57Å; L86-L110 HydrophobicContact CD1-CD2 4.18Å; L89-L110 HydrophobicContact CB-CD2 4.06Å; L89-L110 HydrophobicContact CD2-CD1 4.49Å; L89-L110 HydrophobicContact CD2-CD2 3.59Å; L89-L110 HydrophobicContact CG-CD2 4.44Å; L92-L110 HydrophobicContact CD2-CD1 3.56Å; F107-L110 HydrophobicContact CB-CD1 4.13Å; F107-L110 HydrophobicContact CD1-CD1 3.99Å; F107-L110 WeakPolarHBondContact O-CB 3.49Å; F107-L110 PolarHBondContact O-N 3.17Å; L110-S112 PolarHBondContact O-N 3.02Å; L110-S112 VanDerWaalsContact O-N 3.13Å; L110-L113 HydrophobicContact CB-CB 4.18Å; L110-L113 HydrophobicContact CD1-CD2 4.22Å; L110-L113 WeakPolarHBondContact O-CB 3.24Å; L110-L113 PolarHBondContact O-N 2.83Å; L110-L113 VanDerWaalsContact O-N 3.17Å; L110-L134 HydrophobicContact CB-CD2 3.78Å; L110-L134 VanDerWaalsContact O-CD2 3.25Å; L110-L134 WeakPolarHBondContact O-CD2 3.2Å
111E92.9Very high92.1Very high94 Ų9424.8 Ų24.844%0.43913%0.125SC..THydrogen-bonded Turntrans-68.7-11.7-173.4-62-179.3-170.700114.1G109 Q136G109-E111 VanDerWaalsContact C-N 3.35Å; G109-E111 PolarHBondContact O-N 3.07Å; E111-Q136 PolarHBondContact O-NE2 3.39Å
112S95.4Very high92.1Very high33 Ų3329 Ų2923%0.23114%0.138CC..THydrogen-bonded Turntrans-1059.2175.7-54.40000115Q87 L89 L110 E114Q87-S112 VanDerWaalsContact O-CB 3.23Å; Q87-S112 WeakPolarHBondContact O-CB 3.49Å; Q87-S112 PolarHBondContact O-OG 2.7Å; L89-S112 CarbonylContact O-C 3.55Å; L89-S112 VanDerWaalsContact O-O 3.14Å; L110-S112 PolarHBondContact O-N 3.02Å; L110-S112 VanDerWaalsContact O-N 3.13Å; S112-E114 PolarHBondContact O-N 3.24Å
113L96.9Very high92.2Very high0 Ų029 Ų290%014%0.138CC..  trans-71.2122.7-174.9-163.173.2000111.6L89 L92 L110 L116 L134 Q136 L137L89-L113 HydrophobicContact CD2-CD1 4.02Å; L89-L113 HydrophobicContact CG-CD1 4.21Å; L89-L113 VanDerWaalsContact O-CA 3.31Å; L89-L113 WeakPolarHBondContact O-CA 3.15Å; L89-L113 PolarHBondContact O-N 3.19Å; L92-L113 HydrophobicContact CB-CD1 3.76Å; L92-L113 HydrophobicContact CB-CD2 4.43Å; L110-L113 HydrophobicContact CB-CB 4.18Å; L110-L113 HydrophobicContact CD1-CD2 4.22Å; L110-L113 WeakPolarHBondContact O-CB 3.24Å; L110-L113 PolarHBondContact O-N 2.83Å; L110-L113 VanDerWaalsContact O-N 3.17Å; L113-L116 HydrophobicContact CD2-CB 4.01Å; L113-L116 HydrophobicContact CD2-CD1 4.34Å; L113-L116 HydrophobicContact CD2-CD2 4.49Å; L113-L134 HydrophobicContact CB-CD2 4.3Å; L113-L134 HydrophobicContact CD2-CD1 4.37Å; L113-L134 HydrophobicContact CD2-CD2 4.34Å; L113-Q136 CarbonylContact O-C 3.33Å; L113-L137 HydrophobicContact CD2-CD1 4.17Å; L113-L137 HydrophobicContact CG-CD1 4.22Å; L113-L137 WeakPolarHBondContact O-CA 3.39Å; L113-L137 PolarHBondContact O-N 3.37Å
114E89.9Confident92.2Very high35 Ų3527.9 Ų27.916%0.16414%0.141CC..  trans-102-32-179.5-72.7161.4-176.900111.9K90 S112 Q136 T138 V139K90-E114 WeakPolarHBondContact CG-OE2 3.3Å; K90-E114 IonicContact NZ-OE1 2.75Å; K90-E114 PolarHBondContact NZ-OE1 2.92Å; K90-E114 IonicContact NZ-OE2 3.49Å; K90-E114 PolarHBondContact NZ-OE2 3.48Å; K90-E114 WeakPolarHBondContact O-CA 3.49Å; K90-E114 PolarHBondContact O-N 3.41Å; S112-E114 PolarHBondContact O-N 3.24Å; E114-Q136 HydrophobicContact CG-CB 4.38Å; E114-T138 PolarHBondContact O-N 2.85Å; E114-T138 PolarHBondContact O-OG1 2.93Å; E114-V139 PolarHBondContact O-N 2.93Å; E114-V139 VanDerWaalsContact O-N 3.11Å
115Y90.1Very high92.3Very high1 Ų129 Ų290%0.00415%0.149CC..EExtended strand (participates in β ladder)trans-134.6132.2-177.9175.1-89.3000111.8K90 R91 L92 H93 Q117 V139 I141 L795 E799K90-Y115 PolarHBondContact O-N 3.03Å; K90-Y115 VanDerWaalsContact O-N 3.07Å; R91-Y115 HydrophobicContact CB-CD1 4.18Å; R91-Y115 HydrophobicContact CG-CD1 4.47Å; L92-Y115 PolarHBondContact N-O 3.35Å; L92-Y115 VanDerWaalsContact N-O 3.14Å; H93-Y115 AromaticContact CE1-CE1 3.51Å; H93-Y115 AromaticContact ND1-CE1 3.75Å; Y115-Q117 HydrophobicContact CD1-CB 4.44Å; Y115-Q117 HydrophobicContact CE1-CB 3.49Å; Y115-Q117 VanDerWaalsContact CE1-CB 3.49Å; Y115-Q117 PolarHBondContact OH-OE1 2.9Å; Y115-Q117 VanDerWaalsContact OH-OE1 3.08Å; Y115-V139 WeakPolarHBondContact CA-O 3.26Å; Y115-V139 HydrophobicContact CD2-CB 3.55Å; Y115-V139 HydrophobicContact CD2-CG1 3.5Å; Y115-V139 VanDerWaalsContact CD2-CG1 3.5Å; Y115-V139 HydrophobicContact CD2-CG2 4.1Å; Y115-V139 HydrophobicContact CE2-CB 4.25Å; Y115-V139 HydrophobicContact CE2-CG1 3.67Å; Y115-V139 HydrophobicContact CG-CB 4.38Å; Y115-I141 HydrophobicContact CE2-CD1 3.92Å; Y115-L795 WeakPolarHBondContact OH-CB 3.48Å; Y115-L795 PolarHBondContact OH-O 3.18Å; Y115-E799 HydrophobicContact CD1-CG 4.04Å; Y115-E799 HydrophobicContact CD2-CB 3.88Å; Y115-E799 HydrophobicContact CD2-CG 3.68Å; Y115-E799 HydrophobicContact CE1-CB 4.42Å; Y115-E799 HydrophobicContact CE1-CG 3.87Å; Y115-E799 VanDerWaalsContact CE2-CA 3.41Å; Y115-E799 HydrophobicContact CE2-CB 3.37Å; Y115-E799 HydrophobicContact CE2-CG 3.54Å; Y115-E799 HydrophobicContact CG-CG 3.94Å
116L95.9Very high92.7Very high0 Ų025.1 Ų25.10%013%0.129CC..EExtended strand (participates in β ladder)trans-131.7116.4175.9177.957.6000111.4L92 F107 L113 L134 L137 V139 M140 I141L92-L116 HydrophobicContact CB-CD1 4.17Å; L92-L116 HydrophobicContact CD2-CD1 4.07Å; L92-L116 HydrophobicContact CG-CD1 4.12Å; F107-L116 HydrophobicContact CE1-CD1 4.23Å; F107-L116 HydrophobicContact CE1-CD2 4.25Å; F107-L116 HydrophobicContact CE2-CD2 4Å; F107-L116 HydrophobicContact CZ-CD1 4.41Å; F107-L116 HydrophobicContact CZ-CD2 3.82Å; L113-L116 HydrophobicContact CD2-CB 4.01Å; L113-L116 HydrophobicContact CD2-CD1 4.34Å; L113-L116 HydrophobicContact CD2-CD2 4.49Å; L116-L134 HydrophobicContact CD2-CD1 4.47Å; L116-L137 HydrophobicContact CB-CD1 3.8Å; L116-V139 PolarHBondContact N-O 3.05Å; L116-M140 HydrophobicContact CD2-CE 3.99Å; L116-M140 HydrophobicContact CD2-CG 4.45Å; L116-I141 PolarHBondContact O-N 3.04Å
117Q90.7Very high92.8Very high1 Ų128.1 Ų28.11%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-107.5119.4175.9152.7153.635.300109.9L92 H93 L94 N95 Y115 D119 L795L92-Q117 PolarHBondContact O-N 3.42Å; H93-Q117 HydrophobicContact CB-CB 4.39Å; H93-Q117 HydrophobicContact CB-CG 4.12Å; H93-Q117 PolarHBondContact ND1-OE1 3.15Å; L94-Q117 PolarHBondContact N-O 3.14Å; N95-Q117 HydrophobicContact CB-CG 3.71Å; N95-Q117 PolarHBondContact ND2-NE2 3.36Å; Y115-Q117 HydrophobicContact CD1-CB 4.44Å; Y115-Q117 HydrophobicContact CE1-CB 3.49Å; Y115-Q117 VanDerWaalsContact CE1-CB 3.49Å; Y115-Q117 PolarHBondContact OH-OE1 2.9Å; Y115-Q117 VanDerWaalsContact OH-OE1 3.08Å; Q117-D119 WeakPolarHBondContact CG-OD1 3.42Å; Q117-D119 PolarHBondContact NE2-OD1 3.47Å; Q117-L795 HydrophobicContact CB-CD2 3.7Å; Q117-L795 HydrophobicContact CG-CD2 3.46Å; Q117-L795 VanDerWaalsContact CG-CD2 3.46Å
118I95.3Very high92.6Very high0 Ų031.6 Ų31.60%017%0.165CC..  trans-150.433.7-179.2-159.6168.6000113.2L94 I99 L102 F107 I123 I141 L142 N145L94-I118 HydrophobicContact CB-CB 4.27Å; L94-I118 HydrophobicContact CB-CD1 4.07Å; L94-I118 HydrophobicContact CB-CG1 3.77Å; L94-I118 HydrophobicContact CD1-CD1 3.86Å; L94-I118 HydrophobicContact CD1-CG1 4.48Å; I99-I118 HydrophobicContact CD1-CD1 3.85Å; I99-I118 HydrophobicContact CD1-CG1 4.21Å; L102-I118 HydrophobicContact CD1-CD1 4.4Å; L102-I118 HydrophobicContact CD2-CD1 3.91Å; F107-I118 HydrophobicContact CZ-CD1 4.37Å; I118-I123 HydrophobicContact CD1-CD1 3.83Å; I118-I123 HydrophobicContact CG1-CD1 3.84Å; I118-I123 HydrophobicContact CG2-CD1 4.19Å; I118-I141 PolarHBondContact N-O 3.15Å; I118-I141 VanDerWaalsContact N-O 3.13Å; I118-L142 HydrophobicContact CG2-CD2 3.51Å; I118-L142 HydrophobicContact CG2-CG 4.25Å; I118-N145 PolarHBondContact O-ND2 3.48Å
119D87.4Confident92.6Very high1 Ų133.7 Ų33.71%0.00518%0.175CC..  trans-65.6169.7168.562.1-57.6000113.9N95 N96 Q117 N121 N143 L795N95-D119 WeakPolarHBondContact CA-O 3.4Å; N95-D119 WeakPolarHBondContact CB-OD1 3.44Å; N96-D119 PolarHBondContact N-O 3.4Å; N96-D119 VanDerWaalsContact N-O 3.15Å; Q117-D119 WeakPolarHBondContact CG-OD1 3.42Å; Q117-D119 PolarHBondContact NE2-OD1 3.47Å; D119-N121 PolarHBondContact O-N 2.86Å; D119-N121 VanDerWaalsContact O-N 3.15Å; D119-N121 PolarHBondContact O-ND2 2.76Å; D119-N143 WeakPolarHBondContact CA-O 3.45Å; D119-N143 WeakPolarHBondContact CB-OD1 3.31Å; D119-L795 HydrophobicContact CB-CD1 3.74Å; D119-L795 HydrophobicContact CB-CD2 3.88Å; D119-L795 HydrophobicContact CB-CG 4.46Å; D119-L795 VanDerWaalsContact CG-CD2 3.48Å; D119-L795 WeakPolarHBondContact OD1-CD2 3.46Å; D119-L795 WeakPolarHBondContact OD2-CD1 3.49Å
120Y85.1Confident92.8Very high41 Ų4133.5 Ų33.516%0.16117%0.173CC..SBendtrans44.247-177.4-59.5-61.5000112.9N96 N97 N143 D144 E791N96-Y120 VanDerWaalsContact CA-O 3.3Å; N96-Y120 WeakPolarHBondContact CA-O 3.4Å; N97-Y120 PolarHBondContact N-O 3.34Å; Y120-N143 PolarHBondContact N-O 3.17Å; Y120-D144 HydrophobicContact CD1-CB 3.48Å; Y120-D144 VanDerWaalsContact CD1-CB 3.48Å; Y120-D144 HydrophobicContact CE1-CB 3.22Å; Y120-D144 VanDerWaalsContact CE1-CG 3.46Å; Y120-D144 WeakPolarHBondContact CE1-OD2 3.49Å; Y120-D144 HydrophobicContact CG-CB 4.42Å; Y120-D144 PolarHBondContact OH-OD2 2.91Å; Y120-E791 WeakPolarHBondContact CD2-O 3.44Å; Y120-E791 HydrophobicContact CE1-CB 3.63Å; Y120-E791 WeakPolarHBondContact CE2-O 3.37Å; Y120-E791 WeakPolarHBondContact OH-CB 3.3Å
121N91.2Very high92.7Very high5 Ų533.6 Ų33.63%0.02717%0.173CC..SBendtrans-121.2-177.1173.7-87.4-92.6000109L94 N97 K98 I99 D119 I123 N145L94-N121 PolarHBondContact O-ND2 3.01Å; N97-N121 WeakPolarHBondContact CA-OD1 3.34Å; N97-N121 VanDerWaalsContact CB-OD1 3.22Å; N97-N121 WeakPolarHBondContact CB-OD1 3.35Å; N97-N121 PolarHBondContact O-OD1 2.78Å; K98-N121 PolarHBondContact N-OD1 3.44Å; I99-N121 WeakPolarHBondContact CB-OD1 3.32Å; I99-N121 WeakPolarHBondContact CG1-OD1 3.15Å; I99-N121 PolarHBondContact N-OD1 3.49Å; D119-N121 PolarHBondContact O-N 2.86Å; D119-N121 VanDerWaalsContact O-N 3.15Å; D119-N121 PolarHBondContact O-ND2 2.76Å; N121-I123 HydrophobicContact CB-CD1 4.29Å; N121-I123 HydrophobicContact CB-CG1 4.11Å; N121-N145 WeakPolarHBondContact CB-OD1 3.46Å; N121-N145 PolarHBondContact O-OD1 3.36Å
122Y94.1Very high92.6Very high130 Ų13030.4 Ų30.451%0.5116%0.162SC..  trans-109.323-174.5-58.9-97.1000111.2N97 K98 I99 T124 L146N97-Y122 WeakPolarHBondContact O-CE2 3.44Å; K98-Y122 HydrophobicContact CG-CE2 4.17Å; I99-Y122 CarbonylContact O-C 3.49Å; I99-Y122 VanDerWaalsContact O-C 3.23Å; I99-Y122 WeakPolarHBondContact O-CA 3.32Å; I99-Y122 PolarHBondContact O-N 2.84Å; Y122-T124 WeakPolarHBondContact O-CG2 3.05Å; Y122-T124 PolarHBondContact O-N 3.1Å; Y122-L146 HydrophobicContact CD1-CD1 4.41Å
123I96.4Very high92.4Very high0 Ų033.2 Ų33.20%017%0.17CC..  trans-64.8113.1-167.4-56.6167.5000109.5I99 D100 L102 I118 N121 T125 I126 L142 N145 L146 L147I99-I123 HydrophobicContact CB-CG1 4.37Å; I99-I123 HydrophobicContact CG2-CD1 4.49Å; I99-I123 HydrophobicContact CG2-CG1 4.16Å; I99-I123 WeakPolarHBondContact O-CG1 3.23Å; I99-I123 PolarHBondContact O-N 3.4Å; D100-I123 WeakPolarHBondContact O-CA 3.37Å; L102-I123 HydrophobicContact CD1-CD1 3.99Å; L102-I123 HydrophobicContact CD2-CD1 4.23Å; L102-I123 HydrophobicContact CG-CD1 4.03Å; L102-I123 HydrophobicContact CG-CG2 4.16Å; I118-I123 HydrophobicContact CD1-CD1 3.83Å; I118-I123 HydrophobicContact CG1-CD1 3.84Å; I118-I123 HydrophobicContact CG2-CD1 4.19Å; N121-I123 HydrophobicContact CB-CD1 4.29Å; N121-I123 HydrophobicContact CB-CG1 4.11Å; I123-T125 WeakPolarHBondContact CG2-O 3.28Å; I123-I126 HydrophobicContact CG2-CG1 4.11Å; I123-L142 HydrophobicContact CD1-CD2 4.32Å; I123-N145 HydrophobicContact CB-CB 4.45Å; I123-N145 VanDerWaalsContact CB-OD1 3.25Å; I123-N145 WeakPolarHBondContact CB-OD1 3.28Å; I123-N145 VanDerWaalsContact CG1-OD1 3.23Å; I123-N145 WeakPolarHBondContact CG1-OD1 3.47Å; I123-N145 PolarHBondContact N-OD1 2.75Å; I123-L146 CarbonylContact O-C 3.51Å; I123-L146 WeakPolarHBondContact O-CA 3.26Å; I123-L146 PolarHBondContact O-N 3.23Å; I123-L147 HydrophobicContact CB-CD2 4.37Å; I123-L147 HydrophobicContact CG2-CD2 3.73Å; I123-L147 PolarHBondContact O-N 3.12Å; I123-L147 VanDerWaalsContact O-N 3.11Å
124T93.5Very high92.3Very high61 Ų6133.2 Ų33.237%0.37417%0.17SC..  trans-94.6-29.1-180610000112.4D100 Y122 L146D100-T124 PolarHBondContact O-N 3.14Å; D100-T124 PolarHBondContact O-OG1 3.37Å; D100-T124 VanDerWaalsContact O-OG1 3.14Å; Y122-T124 WeakPolarHBondContact O-CG2 3.05Å; Y122-T124 PolarHBondContact O-N 3.1Å; T124-L146 HydrophobicContact CG2-CB 3.99Å; T124-L146 HydrophobicContact CG2-CD1 4.28Å
125T92.4Very high92.5Very high69 Ų6936.3 Ų36.342%0.42318%0.184SC..EExtended strand (participates in β ladder)trans-146.9143.7-172.1-64.60000110.4L101 L102 I123L101-T125 HydrophobicContact CD1-CG2 3.87Å; L102-T125 PolarHBondContact N-O 3.15Å; L102-T125 VanDerWaalsContact N-O 3.15Å; I123-T125 WeakPolarHBondContact CG2-O 3.28Å
126I95.7Very high92.6Very high8 Ų840.6 Ų40.64%0.04120%0.204CC..EExtended strand (participates in β ladder)trans-120.8135.2168.7-57.2179.6000106.2L102 I123 A130 L142 L147 L150 P151 I154L102-I126 HydrophobicContact CB-CB 4.49Å; L102-I126 HydrophobicContact CB-CG1 4.27Å; L102-I126 HydrophobicContact CB-CG2 4.22Å; L102-I126 HydrophobicContact CD1-CD1 4.2Å; L102-I126 HydrophobicContact CD1-CG1 4.12Å; L102-I126 HydrophobicContact CG-CG1 4.45Å; L102-I126 CarbonylContact O-C 3.23Å; L102-I126 WeakPolarHBondContact O-CA 3.01Å; I123-I126 HydrophobicContact CG2-CG1 4.11Å; I126-A130 HydrophobicContact CG2-CB 3.74Å; I126-L142 HydrophobicContact CD1-CD1 4.22Å; I126-L142 HydrophobicContact CD1-CD2 4.46Å; I126-L147 HydrophobicContact CD1-CD1 4.14Å; I126-L147 HydrophobicContact CD1-CD2 3.97Å; I126-L147 HydrophobicContact CG1-CD2 3.82Å; I126-L150 HydrophobicContact CD1-CD2 4.13Å; I126-P151 HydrophobicContact CB-CG 4.35Å; I126-P151 WeakPolarHBondContact O-CG 3.31Å; I126-I154 HydrophobicContact CG2-CD1 3.95Å; I126-I154 HydrophobicContact CG2-CG1 4.34Å
127E93.9Very high92.6Very high65 Ų6540.6 Ų40.630%0.30420%0.204SC..  trans-81151.1175.4-64.3-177.2164.500111.4L101 L102 R103 D104 N129 A130 I154L101-E127 HydrophobicContact CD1-CG 4.35Å; L102-E127 PolarHBondContact O-N 2.96Å; R103-E127 WeakPolarHBondContact CA-OE2 3.36Å; R103-E127 VanDerWaalsContact CB-OE2 3.32Å; R103-E127 WeakPolarHBondContact CB-OE2 3.48Å; D104-E127 HydrophobicContact CB-CB 4.46Å; D104-E127 PolarHBondContact N-OE2 2.04Å; D104-E127 VanDerWaalsContact OD1-C 3.22Å; D104-E127 WeakPolarHBondContact OD1-CB 3.5Å; E127-N129 VanDerWaalsContact C-N 3.25Å; E127-N129 PolarHBondContact O-N 3.06Å; E127-A130 WeakPolarHBondContact O-CB 3.29Å; E127-A130 PolarHBondContact O-N 3.44Å; E127-A130 VanDerWaalsContact O-N 3.1Å; E127-I154 WeakPolarHBondContact O-CD1 3.47Å
128P90.8Very high92.5Very high74 Ų7441.9 Ų41.948%0.48121%0.212SC..THydrogen-bonded Turntrans-63.1-22.3-161.8-23.735000116.5P151 I154P128-P151 HydrophobicContact CB-CB 4.03Å; P128-P151 HydrophobicContact CG-CB 4.22Å; P128-I154 WeakPolarHBondContact O-CD1 3.3Å
129N91.7Very high92.1Very high83 Ų8341.9 Ų41.944%0.44421%0.212SC..THydrogen-bonded Turntrans-108.45.8-178.9-49.1-77.9000112.9D104 E127 L131 S132D104-N129 HydrophobicContact CB-CB 4.16Å; D104-N129 WeakPolarHBondContact OD1-CA 3.47Å; D104-N129 WeakPolarHBondContact OD1-CB 3.43Å; D104-N129 PolarHBondContact OD1-N 2.92Å; D104-N129 PolarHBondContact OD2-ND2 2.8Å; E127-N129 VanDerWaalsContact C-N 3.25Å; E127-N129 PolarHBondContact O-N 3.06Å; N129-L131 PolarHBondContact O-N 3.16Å; N129-L131 VanDerWaalsContact O-N 3.11Å; N129-S132 WeakPolarHBondContact O-CB 3.44Å; N129-S132 PolarHBondContact O-N 2.88Å; N129-S132 PolarHBondContact O-OG 2.8Å
130A93.5Very high92.4Very high3 Ų341.9 Ų41.93%0.02521%0.212CC..THydrogen-bonded Turntrans-55-34.4-175.400000113.9R103 D104 I126 E127 I154R103-A130 WeakPolarHBondContact O-CB 3.42Å; D104-A130 WeakPolarHBondContact O-CA 3.48Å; I126-A130 HydrophobicContact CG2-CB 3.74Å; E127-A130 WeakPolarHBondContact O-CB 3.29Å; E127-A130 PolarHBondContact O-N 3.44Å; E127-A130 VanDerWaalsContact O-N 3.1Å; A130-I154 HydrophobicContact CB-CD1 4.45Å
131L94.2Very high92.6Very high1 Ų139.9 Ų39.91%0.00520%0.204CC..THydrogen-bonded Turntrans-96.82.6176.4-47.7-175.1000113.5F107 N129 K133 L134 M140 I154 F155 V158F107-L131 HydrophobicContact CD2-CD2 4.11Å; F107-L131 HydrophobicContact CE2-CD2 4.01Å; N129-L131 PolarHBondContact O-N 3.16Å; N129-L131 VanDerWaalsContact O-N 3.11Å; L131-K133 PolarHBondContact O-N 3.21Å; L131-L134 HydrophobicContact CB-CD1 4.35Å; L131-L134 HydrophobicContact CD2-CD1 3.87Å; L131-L134 PolarHBondContact O-N 3.33Å; L131-M140 HydrophobicContact CD1-CE 3.85Å; L131-M140 HydrophobicContact CD1-SD 3.46Å; L131-M140 WeakPolarHBondContact CD1-SD 3.45Å; L131-M140 HydrophobicContact CD2-CE 3.64Å; L131-M140 HydrophobicContact CD2-SD 4.24Å; L131-M140 HydrophobicContact CG-CE 4.36Å; L131-I154 HydrophobicContact CB-CD1 4.32Å; L131-I154 HydrophobicContact CD1-CD1 4.42Å; L131-I154 HydrophobicContact CD1-CG1 3.84Å; L131-I154 HydrophobicContact CG-CD1 3.96Å; L131-I154 HydrophobicContact CG-CG1 3.94Å; L131-F155 HydrophobicContact CD1-CD1 4.42Å; L131-F155 HydrophobicContact CD1-CE1 4.35Å; L131-V158 HydrophobicContact CB-CG1 4.03Å; L131-V158 WeakPolarHBondContact O-CG1 3.21Å
132S91.5Very high92.7Very high28 Ų2839.7 Ų39.720%0.19620%0.203CC..THydrogen-bonded Turntrans-62.5-16-166.866.90000115.2N129 H135 N157N129-S132 WeakPolarHBondContact O-CB 3.44Å; N129-S132 PolarHBondContact O-N 2.88Å; N129-S132 PolarHBondContact O-OG 2.8Å; S132-H135 PolarHBondContact O-CE1 3.39Å; S132-N157 PolarHBondContact O-ND2 3.44Å
133K91Very high92.4Very high91 Ų9133.5 Ų33.540%0.39618%0.179SC..THydrogen-bonded Turntrans-99.9-13.9-180-55.4-60.7-177.7170.50114.3L131 H135L131-K133 PolarHBondContact O-N 3.21Å; K133-H135 PolarHBondContact O-CD2 3.41Å; K133-H135 PolarHBondContact O-N 3.3Å
134L94.4Very high91.9Very high0 Ų035.1 Ų35.10%019%0.188CC..  trans-85.853.2-165.9-54.4-178000111.7F107 L110 L113 L116 L131 Q136 L137 V158F107-L134 HydrophobicContact CB-CD1 4.13Å; F107-L134 HydrophobicContact CB-CD2 3.89Å; F107-L134 HydrophobicContact CB-CG 4.37Å; F107-L134 HydrophobicContact CD2-CD1 4.02Å; F107-L134 HydrophobicContact CG-CD1 4.23Å; L110-L134 HydrophobicContact CB-CD2 3.78Å; L110-L134 VanDerWaalsContact O-CD2 3.25Å; L110-L134 WeakPolarHBondContact O-CD2 3.2Å; L113-L134 HydrophobicContact CB-CD2 4.3Å; L113-L134 HydrophobicContact CD2-CD1 4.37Å; L113-L134 HydrophobicContact CD2-CD2 4.34Å; L116-L134 HydrophobicContact CD2-CD1 4.47Å; L131-L134 HydrophobicContact CB-CD1 4.35Å; L131-L134 HydrophobicContact CD2-CD1 3.87Å; L131-L134 PolarHBondContact O-N 3.33Å; L134-Q136 PolarHBondContact O-N 3.07Å; L134-L137 HydrophobicContact CB-CB 3.96Å; L134-L137 HydrophobicContact CB-CD2 4.27Å; L134-L137 HydrophobicContact CD1-CD2 4.03Å; L134-L137 VanDerWaalsContact O-CB 3.23Å; L134-L137 WeakPolarHBondContact O-CB 3.42Å; L134-L137 PolarHBondContact O-N 2.82Å; L134-V158 HydrophobicContact CB-CG1 3.96Å; L134-V158 WeakPolarHBondContact O-CG1 3.49Å
135H93.1Very high91.8Very high100 Ų10032.4 Ų32.446%0.46317%0.171SC..THydrogen-bonded Turntrans-62.1-11.2-166.4-62.5-47.6000115.8S132 K133 N157 P159S132-H135 PolarHBondContact O-CE1 3.39Å; K133-H135 PolarHBondContact O-CD2 3.41Å; K133-H135 PolarHBondContact O-N 3.3Å; H135-N157 PolarHBondContact ND1-O 3Å; H135-P159 WeakPolarHBondContact O-CD 2.94Å
136Q93.6Very high91.9Very high91 Ų9132.5 Ų32.543%0.42517%0.168SC..THydrogen-bonded Turntrans-108.91.9179-64.4178.881.700112.6E111 L113 E114 L134 T138E111-Q136 PolarHBondContact O-NE2 3.39Å; L113-Q136 CarbonylContact O-C 3.33Å; E114-Q136 HydrophobicContact CG-CB 4.38Å; L134-Q136 PolarHBondContact O-N 3.07Å; Q136-T138 PolarHBondContact O-N 3.21Å
137L95.5Very high91.9Very high0 Ų032.1 Ų32.10%017%0.166CC..  trans-69.5116.1-174.2-16970.8000111.1L113 L116 L134 V139 M140 V158 P159 L160L113-L137 HydrophobicContact CD2-CD1 4.17Å; L113-L137 HydrophobicContact CG-CD1 4.22Å; L113-L137 WeakPolarHBondContact O-CA 3.39Å; L113-L137 PolarHBondContact O-N 3.37Å; L116-L137 HydrophobicContact CB-CD1 3.8Å; L134-L137 HydrophobicContact CB-CB 3.96Å; L134-L137 HydrophobicContact CB-CD2 4.27Å; L134-L137 HydrophobicContact CD1-CD2 4.03Å; L134-L137 VanDerWaalsContact O-CB 3.23Å; L134-L137 WeakPolarHBondContact O-CB 3.42Å; L134-L137 PolarHBondContact O-N 2.82Å; L137-V139 WeakPolarHBondContact CD1-O 3.45Å; L137-M140 HydrophobicContact CD2-CB 4.08Å; L137-M140 HydrophobicContact CD2-CG 4.39Å; L137-M140 HydrophobicContact CD2-SD 4.46Å; L137-V158 HydrophobicContact CB-CB 4.25Å; L137-V158 HydrophobicContact CB-CG1 4.26Å; L137-V158 HydrophobicContact CD2-CG1 4.41Å; L137-P159 CarbonylContact O-C 3.52Å; L137-P159 VanDerWaalsContact O-CD 3.24Å; L137-P159 WeakPolarHBondContact O-CD 3.31Å; L137-L160 HydrophobicContact CD2-CD2 4.14Å; L137-L160 HydrophobicContact CG-CD2 3.95Å; L137-L160 PolarHBondContact O-N 3.19Å
138T88.3Confident91.7Very high28 Ų2832.4 Ų32.417%0.17218%0.176CC..  trans-108.4-31.2-179.557.30000112E114 Q136 T161 H162 T802E114-T138 PolarHBondContact O-N 2.85Å; E114-T138 PolarHBondContact O-OG1 2.93Å; Q136-T138 PolarHBondContact O-N 3.21Å; T138-T161 PolarHBondContact O-N 3.01Å; T138-T161 PolarHBondContact O-OG1 3.38Å; T138-T161 VanDerWaalsContact O-OG1 3.13Å; T138-H162 PolarHBondContact O-N 3.43Å; T138-T802 WeakPolarHBondContact OG1-CB 3.41Å; T138-T802 WeakPolarHBondContact OG1-CG2 3.31Å; T138-T802 PolarHBondContact OG1-OG1 3.08Å
139V86.1Confident91.8Very high0 Ų031.5 Ų31.50%017%0.174CC..EExtended strand (participates in β ladder)trans-121.7126.1177.1-173.60000109.2E114 Y115 L116 L137 I141 H162 L798 T802E114-V139 PolarHBondContact O-N 2.93Å; E114-V139 VanDerWaalsContact O-N 3.11Å; Y115-V139 WeakPolarHBondContact CA-O 3.26Å; Y115-V139 HydrophobicContact CD2-CB 3.55Å; Y115-V139 HydrophobicContact CD2-CG1 3.5Å; Y115-V139 VanDerWaalsContact CD2-CG1 3.5Å; Y115-V139 HydrophobicContact CD2-CG2 4.1Å; Y115-V139 HydrophobicContact CE2-CB 4.25Å; Y115-V139 HydrophobicContact CE2-CG1 3.67Å; Y115-V139 HydrophobicContact CG-CB 4.38Å; L116-V139 PolarHBondContact N-O 3.05Å; L137-V139 WeakPolarHBondContact CD1-O 3.45Å; V139-I141 HydrophobicContact CG1-CD1 3.73Å; V139-I141 HydrophobicContact CG1-CG1 3.7Å; V139-H162 WeakPolarHBondContact CA-O 3.07Å; V139-H162 HydrophobicContact CG1-CB 4.4Å; V139-H162 HydrophobicContact CG2-CB 4.33Å; V139-L798 HydrophobicContact CG1-CB 4.05Å; V139-L798 HydrophobicContact CG1-CD2 3.89Å; V139-L798 HydrophobicContact CG1-CG 4.05Å; V139-T802 HydrophobicContact CG2-CG2 3.28Å; V139-T802 VanDerWaalsContact CG2-OG1 3.23Å; V139-T802 WeakPolarHBondContact CG2-OG1 3.24Å
140M95.4Very high91.9Very high1 Ų128.5 Ų28.51%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-132.8133.3169.5-172.9-175.3-166.900108.9L116 L131 L137 L142 L160 H162 L163 D164L116-M140 HydrophobicContact CD2-CE 3.99Å; L116-M140 HydrophobicContact CD2-CG 4.45Å; L131-M140 HydrophobicContact CD1-CE 3.85Å; L131-M140 HydrophobicContact CD1-SD 3.46Å; L131-M140 WeakPolarHBondContact CD1-SD 3.45Å; L131-M140 HydrophobicContact CD2-CE 3.64Å; L131-M140 HydrophobicContact CD2-SD 4.24Å; L131-M140 HydrophobicContact CG-CE 4.36Å; L137-M140 HydrophobicContact CD2-CB 4.08Å; L137-M140 HydrophobicContact CD2-CG 4.39Å; L137-M140 HydrophobicContact CD2-SD 4.46Å; M140-L142 HydrophobicContact CE-CD1 3.58Å; M140-L142 HydrophobicContact CE-CD2 4.25Å; M140-L142 HydrophobicContact CE-CG 3.99Å; M140-L142 HydrophobicContact CG-CD1 4.32Å; M140-L142 HydrophobicContact CG-CG 4.45Å; M140-L142 HydrophobicContact SD-CD1 3.87Å; M140-L160 HydrophobicContact CB-CD1 4.36Å; M140-L160 HydrophobicContact CB-CD2 3.77Å; M140-H162 PolarHBondContact N-O 3.46Å; M140-L163 HydrophobicContact CB-CD1 4.28Å; M140-L163 WeakPolarHBondContact O-CA 3.33Å; M140-L163 WeakPolarHBondContact O-CD1 3.15Å; M140-D164 PolarHBondContact O-N 3.34Å
141I87.4Confident91.8Very high0 Ų029.3 Ų29.30%016%0.163CC..EExtended strand (participates in β ladder)trans-137.3130.3-175.6-39.9173.5000111.1Y115 L116 I118 V139 N143 D164 L795 L798Y115-I141 HydrophobicContact CE2-CD1 3.92Å; L116-I141 PolarHBondContact O-N 3.04Å; I118-I141 PolarHBondContact N-O 3.15Å; I118-I141 VanDerWaalsContact N-O 3.13Å; V139-I141 HydrophobicContact CG1-CD1 3.73Å; V139-I141 HydrophobicContact CG1-CG1 3.7Å; I141-N143 WeakPolarHBondContact CG2-OD1 3.35Å; I141-D164 HydrophobicContact CG2-CB 3.67Å; I141-L795 HydrophobicContact CB-CD2 3.43Å; I141-L795 VanDerWaalsContact CB-CD2 3.43Å; I141-L795 HydrophobicContact CB-CG 3.81Å; I141-L795 HydrophobicContact CD1-CB 3.63Å; I141-L795 HydrophobicContact CD1-CD2 3.8Å; I141-L795 HydrophobicContact CD1-CG 3.57Å; I141-L795 HydrophobicContact CG1-CD2 4.16Å; I141-L795 HydrophobicContact CG1-CG 4.28Å; I141-L795 HydrophobicContact CG2-CD1 4.09Å; I141-L795 HydrophobicContact CG2-CD2 3.5Å; I141-L795 HydrophobicContact CG2-CG 3.43Å; I141-L795 VanDerWaalsContact CG2-CG 3.43Å; I141-L798 HydrophobicContact CD1-CB 3.74Å; I141-L798 HydrophobicContact CD1-CD2 3.53Å; I141-L798 HydrophobicContact CD1-CG 4.27Å; I141-L798 HydrophobicContact CG1-CD2 3.77Å
142L95.1Very high91.4Very high1 Ų132.9 Ų32.91%0.00519%0.188CC..  trans-141.612.1-160.2-84.5168.7000111.7I118 I123 I126 M140 N145 L147 D164 L165 N168I118-L142 HydrophobicContact CG2-CD2 3.51Å; I118-L142 HydrophobicContact CG2-CG 4.25Å; I123-L142 HydrophobicContact CD1-CD2 4.32Å; I126-L142 HydrophobicContact CD1-CD1 4.22Å; I126-L142 HydrophobicContact CD1-CD2 4.46Å; M140-L142 HydrophobicContact CE-CD1 3.58Å; M140-L142 HydrophobicContact CE-CD2 4.25Å; M140-L142 HydrophobicContact CE-CG 3.99Å; M140-L142 HydrophobicContact CG-CD1 4.32Å; M140-L142 HydrophobicContact CG-CG 4.45Å; M140-L142 HydrophobicContact SD-CD1 3.87Å; L142-N145 PolarHBondContact O-ND2 3.02Å; L142-L147 HydrophobicContact CB-CD1 4.4Å; L142-L147 HydrophobicContact CD1-CD1 4.11Å; L142-L147 HydrophobicContact CD2-CD1 4.22Å; L142-D164 PolarHBondContact N-O 3Å; L142-L165 HydrophobicContact CB-CD2 3.81Å; L142-L165 HydrophobicContact CD1-CD2 3.84Å; L142-N168 PolarHBondContact O-ND2 2.8Å
143N86.5Confident91.2Very high0 Ų034.8 Ų34.80%020%0.196CC..  trans-58.2158.3179.960.3-70000112D119 Y120 I141 N145 D164 R166 L795D119-N143 WeakPolarHBondContact CA-O 3.45Å; D119-N143 WeakPolarHBondContact CB-OD1 3.31Å; Y120-N143 PolarHBondContact N-O 3.17Å; I141-N143 WeakPolarHBondContact CG2-OD1 3.35Å; N143-N145 PolarHBondContact O-N 2.83Å; N143-N145 PolarHBondContact O-ND2 3Å; N143-D164 PolarHBondContact OD1-OD2 3.35Å; N143-R166 CarbonylContact C-O 3.53Å; N143-R166 WeakPolarHBondContact CA-O 3.33Å; N143-R166 HydrophobicContact CB-CB 4.08Å; N143-R166 WeakPolarHBondContact CB-O 2.95Å; N143-L795 WeakPolarHBondContact OD1-CD1 3.28Å
144D86.2Confident91.3Very high34 Ų3430.7 Ų30.718%0.18218%0.178CC..SBendtrans54.841.1172.5-52.5-44.3000113Y120 R166 G167Y120-D144 HydrophobicContact CD1-CB 3.48Å; Y120-D144 VanDerWaalsContact CD1-CB 3.48Å; Y120-D144 HydrophobicContact CE1-CB 3.22Å; Y120-D144 VanDerWaalsContact CE1-CG 3.46Å; Y120-D144 WeakPolarHBondContact CE1-OD2 3.49Å; Y120-D144 HydrophobicContact CG-CB 4.42Å; Y120-D144 PolarHBondContact OH-OD2 2.91Å; D144-R166 PolarHBondContact N-O 3.17Å; D144-G167 WeakPolarHBondContact OD1-CA 3.32Å
145N92.4Very high91.2Very high3 Ų330.9 Ų30.92%0.01618%0.179CC..SBendtrans-113.6-172.6170.8-87.2-90.4000110.3I118 N121 I123 L142 N143 N168I118-N145 PolarHBondContact O-ND2 3.48Å; N121-N145 WeakPolarHBondContact CB-OD1 3.46Å; N121-N145 PolarHBondContact O-OD1 3.36Å; I123-N145 HydrophobicContact CB-CB 4.45Å; I123-N145 VanDerWaalsContact CB-OD1 3.25Å; I123-N145 WeakPolarHBondContact CB-OD1 3.28Å; I123-N145 VanDerWaalsContact CG1-OD1 3.23Å; I123-N145 WeakPolarHBondContact CG1-OD1 3.47Å; I123-N145 PolarHBondContact N-OD1 2.75Å; L142-N145 PolarHBondContact O-ND2 3.02Å; N143-N145 PolarHBondContact O-N 2.83Å; N143-N145 PolarHBondContact O-ND2 3Å; N145-N168 VanDerWaalsContact C-OD1 3.22Å; N145-N168 VanDerWaalsContact CB-OD1 3.28Å; N145-N168 WeakPolarHBondContact CB-OD1 3.42Å; N145-N168 PolarHBondContact O-OD1 2.91Å
146L93.1Very high91Very high71 Ų7133.9 Ų33.937%0.37219%0.186SC..  trans-112.220.8-173-60.2178.5000113.4Y122 I123 T124 S148Y122-L146 HydrophobicContact CD1-CD1 4.41Å; I123-L146 CarbonylContact O-C 3.51Å; I123-L146 WeakPolarHBondContact O-CA 3.26Å; I123-L146 PolarHBondContact O-N 3.23Å; T124-L146 HydrophobicContact CG2-CB 3.99Å; T124-L146 HydrophobicContact CG2-CD1 4.28Å; L146-S148 PolarHBondContact O-N 2.87Å
147L96Very high90.8Very high0 Ų032.8 Ų32.80%018%0.184CC..  trans-65117.3-173.9-62.8173.6000111.4I123 I126 L142 L150 L165 N168 R169 L170I123-L147 HydrophobicContact CB-CD2 4.37Å; I123-L147 HydrophobicContact CG2-CD2 3.73Å; I123-L147 PolarHBondContact O-N 3.12Å; I123-L147 VanDerWaalsContact O-N 3.11Å; I126-L147 HydrophobicContact CD1-CD1 4.14Å; I126-L147 HydrophobicContact CD1-CD2 3.97Å; I126-L147 HydrophobicContact CG1-CD2 3.82Å; L142-L147 HydrophobicContact CB-CD1 4.4Å; L142-L147 HydrophobicContact CD1-CD1 4.11Å; L142-L147 HydrophobicContact CD2-CD1 4.22Å; L147-L150 HydrophobicContact CD1-CD2 4.1Å; L147-L165 HydrophobicContact CD1-CD2 4.38Å; L147-N168 HydrophobicContact CB-CB 4.44Å; L147-N168 VanDerWaalsContact CB-OD1 3.23Å; L147-N168 WeakPolarHBondContact CB-OD1 3.45Å; L147-N168 WeakPolarHBondContact CG-OD1 3.31Å; L147-N168 PolarHBondContact N-OD1 3.14Å; L147-N168 VanDerWaalsContact N-OD1 3.07Å; L147-R169 CarbonylContact O-C 3.29Å; L147-R169 WeakPolarHBondContact O-CA 3.28Å; L147-R169 WeakPolarHBondContact O-CB 3.49Å; L147-R169 PolarHBondContact O-N 3.05Å; L147-L170 HydrophobicContact CB-CD2 4.21Å; L147-L170 PolarHBondContact O-N 2.75Å; L147-L170 VanDerWaalsContact O-N 3.11Å
148S91Very high90.7Very high72 Ų7233.2 Ų33.250%0.50319%0.186SC..SBendtrans-88.8-2417763.10000113.8L146L146-S148 PolarHBondContact O-N 2.87Å
149A91.2Very high90.7Very high54 Ų5433.6 Ų33.645%0.44619%0.189SC..  trans-159.2163.6174.200000110.1
150L93.8Very high90.9Very high21 Ų2134 Ų3411%0.1119%0.192CC..  trans-109145.3171.1-69.4171.3000110.6I126 L147 I154 F155 L165 L170 F173 L178I126-L150 HydrophobicContact CD1-CD2 4.13Å; L147-L150 HydrophobicContact CD1-CD2 4.1Å; L150-I154 HydrophobicContact CB-CG2 4.47Å; L150-F155 HydrophobicContact CD1-CE2 3.9Å; L150-F155 HydrophobicContact CD1-CZ 3.83Å; L150-L165 HydrophobicContact CD1-CD1 4.03Å; L150-L165 HydrophobicContact CD1-CD2 4.38Å; L150-L170 HydrophobicContact CG-CD2 4.36Å; L150-F173 HydrophobicContact CD1-CE2 3.78Å; L150-F173 HydrophobicContact CD1-CZ 4.22Å; L150-L178 HydrophobicContact CB-CD1 4.03Å; L150-L178 HydrophobicContact CB-CD2 4.2Å; L150-L178 HydrophobicContact CD1-CD1 4.44Å
151P91.7Very high90.4Very high20 Ų2035.4 Ų35.413%0.1320%0.2CC..  trans-65.7142.7177-20.933.1000112.9I126 P128 N153 I154 L178I126-P151 HydrophobicContact CB-CG 4.35Å; I126-P151 WeakPolarHBondContact O-CG 3.31Å; P128-P151 HydrophobicContact CB-CB 4.03Å; P128-P151 HydrophobicContact CG-CB 4.22Å; P151-N153 PolarHBondContact O-N 2.97Å; P151-I154 HydrophobicContact CB-CB 4.26Å; P151-I154 HydrophobicContact CG-CD1 4.44Å; P151-I154 WeakPolarHBondContact O-CB 3.35Å; P151-I154 WeakPolarHBondContact O-CG2 3.02Å; P151-I154 PolarHBondContact O-N 2.72Å; P151-L178 VanDerWaalsContact O-CD2 3.29Å; P151-L178 WeakPolarHBondContact O-CD2 3.01Å
152S87Confident90.3Very high76 Ų7635.7 Ų35.753%0.53120%0.201SC..THydrogen-bonded Turntrans-63.1134.1172.457.40000110.8I154S152-I154 VanDerWaalsContact C-N 3.32Å
153N86.8Confident90.2Very high67 Ų6735.7 Ų35.736%0.35820%0.201SC..THydrogen-bonded Turntrans73.38.3-176.4-47.1-90.3000115.7P151 F155 R156 G177P151-N153 PolarHBondContact O-N 2.97Å; N153-F155 PolarHBondContact O-N 2.87Å; N153-F155 VanDerWaalsContact O-N 3.16Å; N153-R156 HydrophobicContact CB-CB 3.99Å; N153-R156 WeakPolarHBondContact O-CB 3.43Å; N153-R156 PolarHBondContact O-N 3.37Å; N153-G177 WeakPolarHBondContact CA-O 3.22Å; N153-G177 PolarHBondContact N-O 3.37Å
154I92.6Very high90.3Very high5 Ų535.8 Ų35.83%0.02620%0.202CC..THydrogen-bonded Turntrans-58-31.6177.5-162.762.7000112.4I126 E127 P128 A130 L131 L150 P151 S152 L178I126-I154 HydrophobicContact CG2-CD1 3.95Å; I126-I154 HydrophobicContact CG2-CG1 4.34Å; E127-I154 WeakPolarHBondContact O-CD1 3.47Å; P128-I154 WeakPolarHBondContact O-CD1 3.3Å; A130-I154 HydrophobicContact CB-CD1 4.45Å; L131-I154 HydrophobicContact CB-CD1 4.32Å; L131-I154 HydrophobicContact CD1-CD1 4.42Å; L131-I154 HydrophobicContact CD1-CG1 3.84Å; L131-I154 HydrophobicContact CG-CD1 3.96Å; L131-I154 HydrophobicContact CG-CG1 3.94Å; L150-I154 HydrophobicContact CB-CG2 4.47Å; P151-I154 HydrophobicContact CB-CB 4.26Å; P151-I154 HydrophobicContact CG-CD1 4.44Å; P151-I154 WeakPolarHBondContact O-CB 3.35Å; P151-I154 WeakPolarHBondContact O-CG2 3.02Å; P151-I154 PolarHBondContact O-N 2.72Å; S152-I154 VanDerWaalsContact C-N 3.32Å; I154-L178 HydrophobicContact CG2-CD2 3.7Å
155F92.1Very high90.7Very high4 Ų434.1 Ų34.12%0.01819%0.193CC..THydrogen-bonded Turntrans-89.1-2.3177.3-57.8-47.4000115L131 L150 N153 N157 V158 L160 L163 F173 L178 H181 M182L131-F155 HydrophobicContact CD1-CD1 4.42Å; L131-F155 HydrophobicContact CD1-CE1 4.35Å; L150-F155 HydrophobicContact CD1-CE2 3.9Å; L150-F155 HydrophobicContact CD1-CZ 3.83Å; N153-F155 PolarHBondContact O-N 2.87Å; N153-F155 VanDerWaalsContact O-N 3.16Å; F155-N157 PolarHBondContact O-N 2.93Å; F155-N157 VanDerWaalsContact O-N 3.14Å; F155-V158 HydrophobicContact CB-CG2 4.25Å; F155-V158 HydrophobicContact CD1-CG2 4.04Å; F155-V158 PolarHBondContact O-N 3.47Å; F155-L160 HydrophobicContact CD1-CD1 3.45Å; F155-L160 VanDerWaalsContact CD1-CD1 3.45Å; F155-L160 HydrophobicContact CE1-CD1 3.58Å; F155-L160 HydrophobicContact CG-CD1 4.3Å; F155-L160 HydrophobicContact CZ-CD1 4.5Å; F155-L163 HydrophobicContact CE1-CD2 4.1Å; F155-L163 HydrophobicContact CE2-CD2 3.95Å; F155-L163 HydrophobicContact CZ-CD2 3.54Å; F155-F173 HydrophobicContact CE2-CZ 4.04Å; F155-L178 HydrophobicContact CD2-CB 4.33Å; F155-L178 HydrophobicContact CD2-CD2 3.84Å; F155-L178 HydrophobicContact CE2-CD2 3.99Å; F155-H181 HydrophobicContact CB-CB 4.28Å; F155-M182 HydrophobicContact CD2-CG 4.39Å; F155-M182 HydrophobicContact CD2-SD 4Å; F155-M182 HydrophobicContact CE2-SD 4.25Å
156R90.1Very high90.5Very high163 Ų16335.9 Ų35.962%0.61520%0.199SC*.THydrogen-bonded Turntrans-62.1-27.5-171.3179.6172.4178.3-154.4-0.7114.9N153 H181N153-R156 HydrophobicContact CB-CB 3.99Å; N153-R156 WeakPolarHBondContact O-CB 3.43Å; N153-R156 PolarHBondContact O-N 3.37Å; R156-H181 WeakPolarHBondContact CG-NE2 3.33Å
157N88.9Confident90.2Very high69 Ų6933 Ų3337%0.36919%0.187SC..THydrogen-bonded Turntrans-109.22.1-174.3-7515.2000113.6S132 H135 F155S132-N157 PolarHBondContact O-ND2 3.44Å; H135-N157 PolarHBondContact ND1-O 3Å; F155-N157 PolarHBondContact O-N 2.93Å; F155-N157 VanDerWaalsContact O-N 3.14Å
158V92.4Very high90.2Very high8 Ų833 Ų335%0.04819%0.187CC..  trans-124.6121.9-171.2-62.60000111.3L131 L134 L137 F155 L160L131-V158 HydrophobicContact CB-CG1 4.03Å; L131-V158 WeakPolarHBondContact O-CG1 3.21Å; L134-V158 HydrophobicContact CB-CG1 3.96Å; L134-V158 WeakPolarHBondContact O-CG1 3.49Å; L137-V158 HydrophobicContact CB-CB 4.25Å; L137-V158 HydrophobicContact CB-CG1 4.26Å; L137-V158 HydrophobicContact CD2-CG1 4.41Å; F155-V158 HydrophobicContact CB-CG2 4.25Å; F155-V158 HydrophobicContact CD1-CG2 4.04Å; F155-V158 PolarHBondContact O-N 3.47Å; V158-L160 HydrophobicContact CB-CG 4.47Å; V158-L160 HydrophobicContact CG2-CD1 4.2Å; V158-L160 HydrophobicContact CG2-CG 4.01Å; V158-L160 PolarHBondContact O-N 3.22Å
159P89.3Confident90.3Very high37 Ų3735.5 Ų35.524%0.2419%0.185CC..  trans-83.956-173.336.2-38.6000113H135 L137 T161 K184H135-P159 WeakPolarHBondContact O-CD 2.94Å; L137-P159 CarbonylContact O-C 3.52Å; L137-P159 VanDerWaalsContact O-CD 3.24Å; L137-P159 WeakPolarHBondContact O-CD 3.31Å; P159-T161 PolarHBondContact O-N 3.26Å; P159-K184 HydrophobicContact CB-CD 4.35Å
160L91Very high90.5Very high9 Ų933 Ų335%0.04716%0.164CC..  trans-59130.7-174.4-67.5177.6000113L137 M140 F155 V158 L163L137-L160 HydrophobicContact CD2-CD2 4.14Å; L137-L160 HydrophobicContact CG-CD2 3.95Å; L137-L160 PolarHBondContact O-N 3.19Å; M140-L160 HydrophobicContact CB-CD1 4.36Å; M140-L160 HydrophobicContact CB-CD2 3.77Å; F155-L160 HydrophobicContact CD1-CD1 3.45Å; F155-L160 VanDerWaalsContact CD1-CD1 3.45Å; F155-L160 HydrophobicContact CE1-CD1 3.58Å; F155-L160 HydrophobicContact CG-CD1 4.3Å; F155-L160 HydrophobicContact CZ-CD1 4.5Å; V158-L160 HydrophobicContact CB-CG 4.47Å; V158-L160 HydrophobicContact CG2-CD1 4.2Å; V158-L160 HydrophobicContact CG2-CG 4.01Å; V158-L160 PolarHBondContact O-N 3.22Å; L160-L163 HydrophobicContact CD1-CD2 4.3Å
161T85.1Confident90.4Very high29 Ų2937.7 Ų37.718%0.17818%0.184CC..SBendtrans-107.5-29.2170.9550000111.6T138 P159 K184 V186 E187 T802T138-T161 PolarHBondContact O-N 3.01Å; T138-T161 PolarHBondContact O-OG1 3.38Å; T138-T161 VanDerWaalsContact O-OG1 3.13Å; P159-T161 PolarHBondContact O-N 3.26Å; T161-K184 HydrophobicContact CG2-CB 4.46Å; T161-V186 PolarHBondContact O-N 2.82Å; T161-E187 PolarHBondContact O-N 3.08Å; T161-T802 WeakPolarHBondContact OG1-CG2 3.39Å
162H83.5Confident90.3Very high7 Ų740.1 Ų40.13%0.03219%0.194CC..EExtended strand (participates in β ladder)trans-134.3131.3177.3-48.570.7000110.2T138 V139 M140 E187 L798 Q801T138-H162 PolarHBondContact O-N 3.43Å; V139-H162 WeakPolarHBondContact CA-O 3.07Å; V139-H162 HydrophobicContact CG1-CB 4.4Å; V139-H162 HydrophobicContact CG2-CB 4.33Å; M140-H162 PolarHBondContact N-O 3.46Å; H162-E187 WeakPolarHBondContact CA-O 3.15Å; H162-E187 HydrophobicContact CB-CB 4.36Å; H162-E187 IonicContact CD2-OE2 2.9Å; H162-L798 HydrophobicContact CB-CD1 3.98Å; H162-L798 HydrophobicContact CB-CD2 3.64Å; H162-L798 HydrophobicContact CB-CG 3.52Å; H162-Q801 PolarHBondContact NE2-NE2 3.42Å
163L93.9Very high90.5Very high1 Ų136.5 Ų36.51%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-143120.4-179.5174.360.2000110.6M140 F155 L160 L165 M182 E187 L188 Q189M140-L163 HydrophobicContact CB-CD1 4.28Å; M140-L163 WeakPolarHBondContact O-CA 3.33Å; M140-L163 WeakPolarHBondContact O-CD1 3.15Å; F155-L163 HydrophobicContact CE1-CD2 4.1Å; F155-L163 HydrophobicContact CE2-CD2 3.95Å; F155-L163 HydrophobicContact CZ-CD2 3.54Å; L160-L163 HydrophobicContact CD1-CD2 4.3Å; L163-L165 HydrophobicContact CD1-CD1 4.32Å; L163-L165 HydrophobicContact CD1-CD2 4.3Å; L163-L165 HydrophobicContact CD1-CG 4Å; L163-L165 HydrophobicContact CD2-CD1 3.92Å; L163-L165 HydrophobicContact CD2-CG 4.48Å; L163-L165 HydrophobicContact CG-CD1 4.01Å; L163-L165 HydrophobicContact CG-CG 4.07Å; L163-M182 HydrophobicContact CD2-CE 3.78Å; L163-E187 PolarHBondContact N-O 3.38Å; L163-L188 HydrophobicContact CB-CD1 3.95Å; L163-L188 HydrophobicContact CD2-CD1 3.86Å; L163-L188 HydrophobicContact CG-CD1 3.89Å; L163-L188 CarbonylContact O-C 3.52Å; L163-L188 WeakPolarHBondContact O-CA 3.46Å; L163-Q189 PolarHBondContact O-N 2.68Å
164D87.8Confident90.6Very high1 Ų135.2 Ų35.21%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-117127173.716926.4000111.2M140 I141 L142 N143 R166 Q189M140-D164 PolarHBondContact O-N 3.34Å; I141-D164 HydrophobicContact CG2-CB 3.67Å; L142-D164 PolarHBondContact N-O 3Å; N143-D164 PolarHBondContact OD1-OD2 3.35Å; D164-R166 WeakPolarHBondContact OD1-CB 3.43Å; D164-R166 WeakPolarHBondContact OD1-CG 3.23Å; D164-R166 IonicContact OD1-CZ 3.68Å; D164-R166 PolarHBondContact OD1-N 3.12Å; D164-R166 IonicContact OD1-NE 3.2Å; D164-R166 PolarHBondContact OD1-NE 3.01Å; D164-R166 IonicContact OD1-NH2 3.84Å; D164-R166 IonicContact OD2-CZ 3.67Å; D164-R166 IonicContact OD2-NE 3.64Å; D164-R166 PolarHBondContact OD2-NE 3.04Å; D164-R166 IonicContact OD2-NH2 2.87Å; D164-R166 PolarHBondContact OD2-NH2 3.31Å; D164-Q189 HydrophobicContact CB-CB 3.99Å; D164-Q189 HydrophobicContact CB-CG 4.44Å; D164-Q189 VanDerWaalsContact CG-OE1 3.23Å; D164-Q189 WeakPolarHBondContact OD1-CB 3.46Å; D164-Q189 PolarHBondContact OD1-OE1 2.73Å; D164-Q189 PolarHBondContact OD2-OE1 3.13Å
165L95.5Very high90.3Very high0 Ų040.2 Ų40.20%018%0.183CC..  trans-128.316.9-174.7-69.2164.7000112.2L142 L147 L150 L163 N168 L170 F173 Q189 L190 N193L142-L165 HydrophobicContact CB-CD2 3.81Å; L142-L165 HydrophobicContact CD1-CD2 3.84Å; L147-L165 HydrophobicContact CD1-CD2 4.38Å; L150-L165 HydrophobicContact CD1-CD1 4.03Å; L150-L165 HydrophobicContact CD1-CD2 4.38Å; L163-L165 HydrophobicContact CD1-CD1 4.32Å; L163-L165 HydrophobicContact CD1-CD2 4.3Å; L163-L165 HydrophobicContact CD1-CG 4Å; L163-L165 HydrophobicContact CD2-CD1 3.92Å; L163-L165 HydrophobicContact CD2-CG 4.48Å; L163-L165 HydrophobicContact CG-CD1 4.01Å; L163-L165 HydrophobicContact CG-CG 4.07Å; L165-N168 WeakPolarHBondContact O-CB 3.39Å; L165-N168 PolarHBondContact O-ND2 2.97Å; L165-N168 VanDerWaalsContact O-ND2 3.15Å; L165-L170 HydrophobicContact CB-CD1 4.14Å; L165-L170 HydrophobicContact CD1-CD1 4.09Å; L165-F173 HydrophobicContact CD1-CE2 3.7Å; L165-F173 HydrophobicContact CD1-CZ 4.42Å; L165-Q189 PolarHBondContact N-O 3.37Å; L165-L190 HydrophobicContact CD1-CD2 4.24Å; L165-N193 PolarHBondContact O-ND2 3.35Å
166R88.9Confident89.9Confident40 Ų4046.3 Ų46.315%0.15121%0.214CC..THydrogen-bonded Turntrans-59.2160.6-176.1-69.6174.7-60111.316.2113.6N143 D144 D164 N168 Q189 E191N143-R166 CarbonylContact C-O 3.53Å; N143-R166 WeakPolarHBondContact CA-O 3.33Å; N143-R166 HydrophobicContact CB-CB 4.08Å; N143-R166 WeakPolarHBondContact CB-O 2.95Å; D144-R166 PolarHBondContact N-O 3.17Å; D164-R166 WeakPolarHBondContact OD1-CB 3.43Å; D164-R166 WeakPolarHBondContact OD1-CG 3.23Å; D164-R166 IonicContact OD1-CZ 3.68Å; D164-R166 PolarHBondContact OD1-N 3.12Å; D164-R166 IonicContact OD1-NE 3.2Å; D164-R166 PolarHBondContact OD1-NE 3.01Å; D164-R166 IonicContact OD1-NH2 3.84Å; D164-R166 IonicContact OD2-CZ 3.67Å; D164-R166 IonicContact OD2-NE 3.64Å; D164-R166 PolarHBondContact OD2-NE 3.04Å; D164-R166 IonicContact OD2-NH2 2.87Å; D164-R166 PolarHBondContact OD2-NH2 3.31Å; R166-N168 PolarHBondContact O-N 3.15Å; R166-N168 PolarHBondContact O-ND2 3.25Å; R166-Q189 HydrophobicContact CG-CB 3.82Å; R166-Q189 VanDerWaalsContact NE-CD 3.33Å; R166-E191 WeakPolarHBondContact CA-O 3.4Å; R166-E191 WeakPolarHBondContact CD-OE2 3.28Å; R166-E191 HydrophobicContact CG-CB 3.95Å; R166-E191 WeakPolarHBondContact CG-OE2 3.25Å
167G86.5Confident89.6Confident10 Ų1038.5 Ų38.510%0.10319%0.185CC..THydrogen-bonded Turntrans65.9-2.5175.800000116.7D144 R169 E191D144-G167 WeakPolarHBondContact OD1-CA 3.32Å; G167-R169 PolarHBondContact O-NH1 3.35Å; G167-R169 VanDerWaalsContact O-NH1 3.15Å; G167-E191 PolarHBondContact N-O 2.95Å
168N94.7Very high89.6Confident0 Ų035.3 Ų35.30%017%0.168CC..SBendtrans-74.4-166.8-177.9-85.2-92.2000112.5L142 N145 L147 L165 R166 L170 N193 P194L142-N168 PolarHBondContact O-ND2 2.8Å; N145-N168 VanDerWaalsContact C-OD1 3.22Å; N145-N168 VanDerWaalsContact CB-OD1 3.28Å; N145-N168 WeakPolarHBondContact CB-OD1 3.42Å; N145-N168 PolarHBondContact O-OD1 2.91Å; L147-N168 HydrophobicContact CB-CB 4.44Å; L147-N168 VanDerWaalsContact CB-OD1 3.23Å; L147-N168 WeakPolarHBondContact CB-OD1 3.45Å; L147-N168 WeakPolarHBondContact CG-OD1 3.31Å; L147-N168 PolarHBondContact N-OD1 3.14Å; L147-N168 VanDerWaalsContact N-OD1 3.07Å; L165-N168 WeakPolarHBondContact O-CB 3.39Å; L165-N168 PolarHBondContact O-ND2 2.97Å; L165-N168 VanDerWaalsContact O-ND2 3.15Å; R166-N168 PolarHBondContact O-N 3.15Å; R166-N168 PolarHBondContact O-ND2 3.25Å; N168-L170 HydrophobicContact CB-CG 4.33Å; N168-N193 WeakPolarHBondContact CA-OD1 3.49Å; N168-N193 WeakPolarHBondContact CB-OD1 3.33Å; N168-N193 PolarHBondContact O-OD1 3.13Å; N168-P194 WeakPolarHBondContact O-CD 3.45Å
169R94.5Very high89.3Confident125 Ų12535.1 Ų35.147%0.47217%0.167SC..  trans-116.721.2-177.2-58.2-61178.4-123.36.1112.6L147 G167 K171 N193L147-R169 CarbonylContact O-C 3.29Å; L147-R169 WeakPolarHBondContact O-CA 3.28Å; L147-R169 WeakPolarHBondContact O-CB 3.49Å; L147-R169 PolarHBondContact O-N 3.05Å; G167-R169 PolarHBondContact O-NH1 3.35Å; G167-R169 VanDerWaalsContact O-NH1 3.15Å; R169-K171 PolarHBondContact O-N 2.84Å; R169-N193 PolarHBondContact N-OD1 2.9Å
170L94.8Very high89.2Confident1 Ų137.2 Ų37.21%0.00517%0.173CC..  trans-65.4130.9-177.7-58175.6000110.9L147 L150 L165 N168 N193 P194 W195L147-L170 HydrophobicContact CB-CD2 4.21Å; L147-L170 PolarHBondContact O-N 2.75Å; L147-L170 VanDerWaalsContact O-N 3.11Å; L150-L170 HydrophobicContact CG-CD2 4.36Å; L165-L170 HydrophobicContact CB-CD1 4.14Å; L165-L170 HydrophobicContact CD1-CD1 4.09Å; N168-L170 HydrophobicContact CB-CG 4.33Å; L170-N193 HydrophobicContact CB-CB 4.33Å; L170-N193 VanDerWaalsContact CB-OD1 3.22Å; L170-N193 WeakPolarHBondContact CB-OD1 3.48Å; L170-N193 WeakPolarHBondContact CG-OD1 3.47Å; L170-N193 PolarHBondContact N-OD1 3.18Å; L170-P194 CarbonylContact O-C 3.49Å; L170-P194 WeakPolarHBondContact O-CD 3.36Å; L170-W195 HydrophobicContact CB-CH2 3.67Å; L170-W195 HydrophobicContact CB-CZ2 4.31Å; L170-W195 HydrophobicContact CB-CZ3 3.89Å; L170-W195 HydrophobicContact CD1-CH2 4Å
171K91Very high89Confident120 Ų12039.1 Ų39.152%0.52218%0.182SC..  trans-106.4-22.9177.4-63.9-179.8-179.9175.40112.9R169 P194 N196R169-K171 PolarHBondContact O-N 2.84Å; K171-P194 HydrophobicContact CG-CG 4.37Å; K171-N196 HydrophobicContact CB-CB 4.17Å; K171-N196 WeakPolarHBondContact O-CB 3.31Å; K171-N196 PolarHBondContact O-N 3.42Å
172M90.2Very high89Confident70 Ų7038.1 Ų38.135%0.34518%0.175SC..  trans-152.6151.1-17963.9179.3-68.700111P174 E200 L201M172-P174 HydrophobicContact CE-CB 4.23Å; M172-P174 HydrophobicContact CE-CG 4.48Å; M172-E200 HydrophobicContact CE-CB 4.2Å; M172-L201 HydrophobicContact CB-CD1 4.26Å
173F91.7Very high88.7Confident1 Ų144.5 Ų44.50%0.00421%0.209CC..  trans-127.692.2175-149.4-78.8000108.6L150 F155 L165 L178 L179 M182 L190 W195 L204L150-F173 HydrophobicContact CD1-CE2 3.78Å; L150-F173 HydrophobicContact CD1-CZ 4.22Å; F155-F173 HydrophobicContact CE2-CZ 4.04Å; L165-F173 HydrophobicContact CD1-CE2 3.7Å; L165-F173 HydrophobicContact CD1-CZ 4.42Å; F173-L178 HydrophobicContact CD1-CB 4.18Å; F173-L178 HydrophobicContact CD1-CD1 3.98Å; F173-L178 HydrophobicContact CD2-CD1 4.5Å; F173-L178 HydrophobicContact CE1-CB 3.66Å; F173-L178 HydrophobicContact CE1-CD1 3.84Å; F173-L178 HydrophobicContact CE1-CG 4.4Å; F173-L178 HydrophobicContact CE2-CD1 4.37Å; F173-L178 HydrophobicContact CG-CD1 4.34Å; F173-L178 HydrophobicContact CZ-CB 4.34Å; F173-L178 HydrophobicContact CZ-CD1 4.06Å; F173-L179 HydrophobicContact CD1-CD1 4.09Å; F173-L179 HydrophobicContact CD1-CD2 3.43Å; F173-L179 VanDerWaalsContact CD1-CD2 3.43Å; F173-L179 HydrophobicContact CD1-CG 3.61Å; F173-L179 HydrophobicContact CE1-CD2 3.37Å; F173-L179 HydrophobicContact CE1-CG 3.8Å; F173-M182 HydrophobicContact CE1-SD 3.76Å; F173-M182 HydrophobicContact CZ-CE 4.42Å; F173-M182 HydrophobicContact CZ-SD 3.93Å; F173-L190 HydrophobicContact CD2-CD2 4.24Å; F173-L190 HydrophobicContact CE2-CD2 4.3Å; F173-W195 HydrophobicContact CB-CH2 4.27Å; F173-W195 HydrophobicContact CB-CZ3 4.02Å; F173-W195 HydrophobicContact CD2-CH2 4.18Å; F173-L204 HydrophobicContact CB-CB 4.48Å; F173-L204 HydrophobicContact CB-CD1 4.25Å; F173-L204 HydrophobicContact CB-CD2 3.98Å; F173-L204 HydrophobicContact CB-CG 4.47Å
174P87.5Confident88.1Confident39 Ų3949.8 Ų49.825%0.25323%0.233SC..  trans-67.1148.9-176.125.7-35.4000112.5M172 L178M172-P174 HydrophobicContact CE-CB 4.23Å; M172-P174 HydrophobicContact CE-CG 4.48Å; P174-L178 HydrophobicContact CG-CD1 3.9Å; P174-L178 HydrophobicContact CG-CG 4.27Å; P174-L178 WeakPolarHBondContact O-CB 3.41Å
175Y86.5Confident87.8Confident110 Ų11050.4 Ų50.443%0.43124%0.236SC..THydrogen-bonded Turntrans-71.8-51.2173.9178.9-85.4000111.9G177 L178 L179 E180Y175-G177 PolarHBondContact O-N 3.38Å; Y175-L178 PolarHBondContact O-N 2.99Å; Y175-L179 HydrophobicContact CD2-CB 3.91Å; Y175-L179 HydrophobicContact CG-CB 4.44Å; Y175-L179 PolarHBondContact O-N 3.04Å; Y175-L179 VanDerWaalsContact O-N 3.16Å; Y175-E180 HydrophobicContact CD1-CB 4.16Å; Y175-E180 HydrophobicContact CE1-CB 3.66Å; Y175-E180 PolarHBondContact O-N 3.29Å; Y175-E180 VanDerWaalsContact O-N 3.13Å
176I85Confident86.9Confident132 Ų13253.6 Ų53.668%0.67726%0.256SS*.THydrogen-bonded Turntrans-65.4128178.2-55.8172000108.7L178I176-L178 VanDerWaalsContact C-N 3.3Å; I176-L178 PolarHBondContact O-N 2.88Å
177G82.8Confident86.5Confident0 Ų052.1 Ų52.10%025%0.251CS..THydrogen-bonded Turntrans83.2-26.6-177.400000115.6N153 Y175 E180 H181N153-G177 WeakPolarHBondContact CA-O 3.22Å; N153-G177 PolarHBondContact N-O 3.37Å; Y175-G177 PolarHBondContact O-N 3.38Å; G177-E180 WeakPolarHBondContact CA-OE1 3.42Å; G177-E180 PolarHBondContact N-OE1 3.2Å; G177-H181 PolarHBondContact O-ND1 2.83Å
178L88.9Confident86.6Confident2 Ų251.7 Ų51.71%0.0125%0.246CC..THydrogen-bonded Turntrans-114.8-80.6179.9-54179000112.1L150 P151 I154 F155 F173 P174 Y175 I176 E180 H181L150-L178 HydrophobicContact CB-CD1 4.03Å; L150-L178 HydrophobicContact CB-CD2 4.2Å; L150-L178 HydrophobicContact CD1-CD1 4.44Å; P151-L178 VanDerWaalsContact O-CD2 3.29Å; P151-L178 WeakPolarHBondContact O-CD2 3.01Å; I154-L178 HydrophobicContact CG2-CD2 3.7Å; F155-L178 HydrophobicContact CD2-CB 4.33Å; F155-L178 HydrophobicContact CD2-CD2 3.84Å; F155-L178 HydrophobicContact CE2-CD2 3.99Å; F173-L178 HydrophobicContact CD1-CB 4.18Å; F173-L178 HydrophobicContact CD1-CD1 3.98Å; F173-L178 HydrophobicContact CD2-CD1 4.5Å; F173-L178 HydrophobicContact CE1-CB 3.66Å; F173-L178 HydrophobicContact CE1-CD1 3.84Å; F173-L178 HydrophobicContact CE1-CG 4.4Å; F173-L178 HydrophobicContact CE2-CD1 4.37Å; F173-L178 HydrophobicContact CG-CD1 4.34Å; F173-L178 HydrophobicContact CZ-CB 4.34Å; F173-L178 HydrophobicContact CZ-CD1 4.06Å; P174-L178 HydrophobicContact CG-CD1 3.9Å; P174-L178 HydrophobicContact CG-CG 4.27Å; P174-L178 WeakPolarHBondContact O-CB 3.41Å; Y175-L178 PolarHBondContact O-N 2.99Å; I176-L178 VanDerWaalsContact C-N 3.3Å; I176-L178 PolarHBondContact O-N 2.88Å; L178-E180 PolarHBondContact O-N 3.11Å; L178-E180 VanDerWaalsContact O-N 3.11Å; L178-H181 PolarHBondContact O-N 3.2Å
179L87.3Confident86.2Confident4 Ų452.6 Ų52.62%0.02125%0.25CS..G310 helixtrans-61.3-26.2-170.4-57.4165.6000113.5F173 Y175 H181 M182 L204 W207F173-L179 HydrophobicContact CD1-CD1 4.09Å; F173-L179 HydrophobicContact CD1-CD2 3.43Å; F173-L179 VanDerWaalsContact CD1-CD2 3.43Å; F173-L179 HydrophobicContact CD1-CG 3.61Å; F173-L179 HydrophobicContact CE1-CD2 3.37Å; F173-L179 HydrophobicContact CE1-CG 3.8Å; Y175-L179 HydrophobicContact CD2-CB 3.91Å; Y175-L179 HydrophobicContact CG-CB 4.44Å; Y175-L179 PolarHBondContact O-N 3.04Å; Y175-L179 VanDerWaalsContact O-N 3.16Å; L179-H181 PolarHBondContact O-N 3.16Å; L179-M182 HydrophobicContact CD2-SD 4Å; L179-M182 PolarHBondContact O-N 3.33Å; L179-M182 VanDerWaalsContact O-N 3.12Å; L179-L204 HydrophobicContact CD1-CB 4.42Å; L179-L204 HydrophobicContact CD1-CD1 4Å; L179-L204 HydrophobicContact CD2-CD1 4.27Å; L179-W207 HydrophobicContact CB-CD2 4.34Å; L179-W207 HydrophobicContact CB-CG 4.02Å; L179-W207 HydrophobicContact CD1-CB 3.83Å; L179-W207 HydrophobicContact CD1-CD2 4.26Å; L179-W207 HydrophobicContact CD1-CG 3.94Å; L179-W207 HydrophobicContact CD2-CD2 3.7Å; L179-W207 HydrophobicContact CD2-CE3 3.86Å; L179-W207 HydrophobicContact CD2-CG 4.16Å; L179-W207 HydrophobicContact CD2-CH2 4.21Å; L179-W207 HydrophobicContact CD2-CZ2 4.06Å; L179-W207 HydrophobicContact CD2-CZ3 4.12Å; L179-W207 HydrophobicContact CG-CD2 4.32Å; L179-W207 HydrophobicContact CG-CG 4.26Å
180E86.6Confident86.1Confident80 Ų8046.7 Ų46.737%0.37423%0.228SC..G310 helixtrans-63.7-15.5174.275.3-171.9170.700114Y175 G177 L178Y175-E180 HydrophobicContact CD1-CB 4.16Å; Y175-E180 HydrophobicContact CE1-CB 3.66Å; Y175-E180 PolarHBondContact O-N 3.29Å; Y175-E180 VanDerWaalsContact O-N 3.13Å; G177-E180 WeakPolarHBondContact CA-OE1 3.42Å; G177-E180 PolarHBondContact N-OE1 3.2Å; L178-E180 PolarHBondContact O-N 3.11Å; L178-E180 VanDerWaalsContact O-N 3.11Å
181H86.6Confident85.8Confident50 Ų5048.9 Ų48.923%0.23124%0.238CC..G310 helixtrans-104.93.5176.2-57.7107.8000113.2F155 R156 G177 L178 L179F155-H181 HydrophobicContact CB-CB 4.28Å; R156-H181 WeakPolarHBondContact CG-NE2 3.33Å; G177-H181 PolarHBondContact O-ND1 2.83Å; L178-H181 PolarHBondContact O-N 3.2Å; L179-H181 PolarHBondContact O-N 3.16Å
182M84.6Confident85.6Confident8 Ų848.8 Ų48.84%0.03924%0.24CC..  trans-106.543.2-173.5-62.1177.168.600112.3F155 L163 F173 L179 K184 V185 L188 W207F155-M182 HydrophobicContact CD2-CG 4.39Å; F155-M182 HydrophobicContact CD2-SD 4Å; F155-M182 HydrophobicContact CE2-SD 4.25Å; L163-M182 HydrophobicContact CD2-CE 3.78Å; F173-M182 HydrophobicContact CE1-SD 3.76Å; F173-M182 HydrophobicContact CZ-CE 4.42Å; F173-M182 HydrophobicContact CZ-SD 3.93Å; L179-M182 HydrophobicContact CD2-SD 4Å; L179-M182 PolarHBondContact O-N 3.33Å; L179-M182 VanDerWaalsContact O-N 3.12Å; M182-K184 VanDerWaalsContact C-N 3.31Å; M182-K184 PolarHBondContact O-N 3.18Å; M182-V185 HydrophobicContact CE-CG2 4.48Å; M182-L188 HydrophobicContact CE-CD1 3.84Å; M182-L188 HydrophobicContact CE-CD2 3.79Å; M182-L188 HydrophobicContact CE-CG 4.39Å; M182-W207 HydrophobicContact CB-CZ2 4.3Å
183D78.3Confident85.6Confident140 Ų14045.9 Ų45.975%0.74923%0.225SC*.THydrogen-bonded Turntrans-76.2-15.3-175.973.3-42.3000114.4
184K79.8Confident85.5Confident113 Ų11347.3 Ų47.349%0.49124%0.235SC..THydrogen-bonded Turntrans-104.62-178.6-66174.1-173.6174.60114.6P159 T161 M182 V186P159-K184 HydrophobicContact CB-CD 4.35Å; T161-K184 HydrophobicContact CG2-CB 4.46Å; M182-K184 VanDerWaalsContact C-N 3.31Å; M182-K184 PolarHBondContact O-N 3.18Å; K184-V186 PolarHBondContact O-N 3.14Å
185V83.1Confident85.9Confident14 Ų1445.5 Ų45.59%0.08522%0.223CC..  trans-69.1130.1-171.678.70000111.4M182 E187 L188 W207 I211M182-V185 HydrophobicContact CE-CG2 4.48Å; V185-E187 WeakPolarHBondContact CG2-O 3.35Å; V185-L188 HydrophobicContact CG2-CB 4.04Å; V185-W207 HydrophobicContact CG1-CH2 3.91Å; V185-W207 HydrophobicContact CG1-CZ2 3.82Å; V185-I211 HydrophobicContact CG1-CD1 4.02Å
186V76.6Confident86.1Confident67 Ų6742.1 Ų42.141%0.40621%0.212SC..SBendtrans-104.6-34.7178.2-179.50000110T161 K184 A215 L216T161-V186 PolarHBondContact O-N 2.82Å; K184-V186 PolarHBondContact O-N 3.14Å; V186-A215 CarbonylContact O-C 3.14Å; V186-A215 VanDerWaalsContact O-CA 3.23Å; V186-A215 WeakPolarHBondContact O-CA 3.35Å; V186-L216 PolarHBondContact O-N 3.36Å
187E79.3Confident86.4Confident9 Ų935.9 Ų35.94%0.04218%0.18CC..EExtended strand (participates in β ladder)trans-139.5120.8-179.8-158.6150.4-152.100109.5T161 H162 L163 V185 L216 R450 Y794 L798T161-E187 PolarHBondContact O-N 3.08Å; H162-E187 WeakPolarHBondContact CA-O 3.15Å; H162-E187 HydrophobicContact CB-CB 4.36Å; H162-E187 IonicContact CD2-OE2 2.9Å; L163-E187 PolarHBondContact N-O 3.38Å; V185-E187 WeakPolarHBondContact CG2-O 3.35Å; E187-L216 CarbonylContact C-O 3.53Å; E187-L216 WeakPolarHBondContact CA-O 3.47Å; E187-L216 HydrophobicContact CG-CB 4.4Å; E187-L216 WeakPolarHBondContact OE1-CD2 3.4Å; E187-R450 IonicContact OE1-NH1 3.83Å; E187-Y794 PolarHBondContact OE1-OH 3.39Å; E187-L798 HydrophobicContact CG-CD1 4.32Å; E187-L798 VanDerWaalsContact OE2-CD1 3.31Å; E187-L798 WeakPolarHBondContact OE2-CD1 3.43Å
188L88.9Confident86.7Confident1 Ų137.1 Ų37.11%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-132.3111.2178176.460.2000110.5L163 M182 V185 L190 W207 L216 V217 G218L163-L188 HydrophobicContact CB-CD1 3.95Å; L163-L188 HydrophobicContact CD2-CD1 3.86Å; L163-L188 HydrophobicContact CG-CD1 3.89Å; L163-L188 CarbonylContact O-C 3.52Å; L163-L188 WeakPolarHBondContact O-CA 3.46Å; M182-L188 HydrophobicContact CE-CD1 3.84Å; M182-L188 HydrophobicContact CE-CD2 3.79Å; M182-L188 HydrophobicContact CE-CG 4.39Å; V185-L188 HydrophobicContact CG2-CB 4.04Å; L188-L190 HydrophobicContact CD1-CD2 4.17Å; L188-L190 HydrophobicContact CD1-CG 4.38Å; L188-L190 HydrophobicContact CD2-CD1 4.01Å; L188-L190 HydrophobicContact CD2-CG 4.37Å; L188-L190 HydrophobicContact CG-CD1 4.14Å; L188-L190 HydrophobicContact CG-CD2 4.29Å; L188-L190 HydrophobicContact CG-CG 4Å; L188-W207 HydrophobicContact CD2-CH2 3.41Å; L188-W207 VanDerWaalsContact CD2-CH2 3.41Å; L188-W207 HydrophobicContact CD2-CZ2 4.49Å; L188-W207 HydrophobicContact CD2-CZ3 3.64Å; L188-L216 PolarHBondContact N-O 3.24Å; L188-V217 HydrophobicContact CB-CG1 4.35Å; L188-V217 HydrophobicContact CD2-CG1 4.48Å; L188-V217 HydrophobicContact CG-CG1 4.46Å; L188-V217 CarbonylContact O-C 3.21Å; L188-V217 VanDerWaalsContact O-CA 3.28Å; L188-V217 WeakPolarHBondContact O-CA 3.43Å; L188-G218 PolarHBondContact O-N 3.01Å
189Q86.3Confident86.7Confident19 Ų1940.1 Ų40.19%0.08921%0.209CC..EExtended strand (participates in β ladder)trans-102.4135.3179.1-64.8-162.2-66.700112.6L163 D164 L165 R166 E191 Y794L163-Q189 PolarHBondContact O-N 2.68Å; D164-Q189 HydrophobicContact CB-CB 3.99Å; D164-Q189 HydrophobicContact CB-CG 4.44Å; D164-Q189 VanDerWaalsContact CG-OE1 3.23Å; D164-Q189 WeakPolarHBondContact OD1-CB 3.46Å; D164-Q189 PolarHBondContact OD1-OE1 2.73Å; D164-Q189 PolarHBondContact OD2-OE1 3.13Å; L165-Q189 PolarHBondContact N-O 3.37Å; R166-Q189 HydrophobicContact CG-CB 3.82Å; R166-Q189 VanDerWaalsContact NE-CD 3.33Å; Q189-E191 WeakPolarHBondContact CA-OE2 3.43Å; Q189-E191 VanDerWaalsContact CB-OE2 3.31Å; Q189-E191 WeakPolarHBondContact CB-OE2 3.35Å; Q189-E191 PolarHBondContact NE2-OE1 2.72Å; Q189-Y794 VanDerWaalsContact CD-CZ 3.42Å; Q189-Y794 PolarHBondContact OE1-OH 2.76Å
190L93.1Very high86.6Confident0 Ų045 Ų450%023%0.232CC..  trans-142.92.2-166.5-65.8177.6000112.5L165 F173 L188 W195 L204 V217 V220L165-L190 HydrophobicContact CD1-CD2 4.24Å; F173-L190 HydrophobicContact CD2-CD2 4.24Å; F173-L190 HydrophobicContact CE2-CD2 4.3Å; L188-L190 HydrophobicContact CD1-CD2 4.17Å; L188-L190 HydrophobicContact CD1-CG 4.38Å; L188-L190 HydrophobicContact CD2-CD1 4.01Å; L188-L190 HydrophobicContact CD2-CG 4.37Å; L188-L190 HydrophobicContact CG-CD1 4.14Å; L188-L190 HydrophobicContact CG-CD2 4.29Å; L188-L190 HydrophobicContact CG-CG 4Å; L190-W195 HydrophobicContact CB-CZ2 3.84Å; L190-W195 HydrophobicContact CD2-CH2 4.06Å; L190-W195 HydrophobicContact CD2-CZ2 3.89Å; L190-W195 HydrophobicContact CG-CZ2 4.33Å; L190-W195 PolarHBondContact O-NE1 3.08Å; L190-L204 HydrophobicContact CD1-CD1 4.34Å; L190-V217 HydrophobicContact CD1-CG1 4.24Å; L190-V220 HydrophobicContact CB-CG2 3.98Å; L190-V220 HydrophobicContact CD1-CG2 3.73Å
191E87.6Confident86.8Confident48 Ų4841.1 Ų41.122%0.22421%0.214CC..THydrogen-bonded Turntrans-61.5163179.5-55.290.7135.900111.3R166 G167 Q189 N193 G218R166-E191 WeakPolarHBondContact CA-O 3.4Å; R166-E191 WeakPolarHBondContact CD-OE2 3.28Å; R166-E191 HydrophobicContact CG-CB 3.95Å; R166-E191 WeakPolarHBondContact CG-OE2 3.25Å; G167-E191 PolarHBondContact N-O 2.95Å; Q189-E191 WeakPolarHBondContact CA-OE2 3.43Å; Q189-E191 VanDerWaalsContact CB-OE2 3.31Å; Q189-E191 WeakPolarHBondContact CB-OE2 3.35Å; Q189-E191 PolarHBondContact NE2-OE1 2.72Å; E191-N193 PolarHBondContact O-N 2.87Å; E191-N193 PolarHBondContact O-ND2 3.5Å; E191-G218 WeakPolarHBondContact OE1-CA 3.4Å; E191-G218 WeakPolarHBondContact OE2-CA 3.43Å
192E86.5Confident86.9Confident118 Ų11841 Ų4155%0.55121%0.214SC*.THydrogen-bonded Turntrans57.120.8172.4-54.9-171-160.400115.4
193N91.4Very high87.1Confident8 Ų842.1 Ų42.14%0.04323%0.225CC..SBendtrans-103.2144.4173.2-83.7-94000111.6L165 N168 R169 L170 E191 W195L165-N193 PolarHBondContact O-ND2 3.35Å; N168-N193 WeakPolarHBondContact CA-OD1 3.49Å; N168-N193 WeakPolarHBondContact CB-OD1 3.33Å; N168-N193 PolarHBondContact O-OD1 3.13Å; R169-N193 PolarHBondContact N-OD1 2.9Å; L170-N193 HydrophobicContact CB-CB 4.33Å; L170-N193 VanDerWaalsContact CB-OD1 3.22Å; L170-N193 WeakPolarHBondContact CB-OD1 3.48Å; L170-N193 WeakPolarHBondContact CG-OD1 3.47Å; L170-N193 PolarHBondContact N-OD1 3.18Å; E191-N193 PolarHBondContact O-N 2.87Å; E191-N193 PolarHBondContact O-ND2 3.5Å; N193-W195 VanDerWaalsContact C-N 3.28Å; N193-W195 HydrophobicContact CB-CD2 4.28Å; N193-W195 HydrophobicContact CB-CZ2 3.68Å; N193-W195 PolarHBondContact O-N 2.89Å
194P89.4Confident87.7Confident32 Ų3235.4 Ų35.421%0.20819%0.189CC..  trans-79.863.9-175.634.3-38.5000113.2N168 L170 K171 N196 E223N168-P194 WeakPolarHBondContact O-CD 3.45Å; L170-P194 CarbonylContact O-C 3.49Å; L170-P194 WeakPolarHBondContact O-CD 3.36Å; K171-P194 HydrophobicContact CG-CG 4.37Å; P194-N196 PolarHBondContact O-N 2.96Å; P194-E223 HydrophobicContact CB-CB 4.14Å; P194-E223 HydrophobicContact CB-CG 3.93Å
195W94.3Very high88.1Confident0 Ų030.5 Ų30.50%017%0.168CC..EExtended strand (participates in β ladder)trans-59.4131.4-172.9-63.1109.6000114.1L170 F173 L190 N193 L201 V220 E223 T224L170-W195 HydrophobicContact CB-CH2 3.67Å; L170-W195 HydrophobicContact CB-CZ2 4.31Å; L170-W195 HydrophobicContact CB-CZ3 3.89Å; L170-W195 HydrophobicContact CD1-CH2 4Å; F173-W195 HydrophobicContact CB-CH2 4.27Å; F173-W195 HydrophobicContact CB-CZ3 4.02Å; F173-W195 HydrophobicContact CD2-CH2 4.18Å; L190-W195 HydrophobicContact CB-CZ2 3.84Å; L190-W195 HydrophobicContact CD2-CH2 4.06Å; L190-W195 HydrophobicContact CD2-CZ2 3.89Å; L190-W195 HydrophobicContact CG-CZ2 4.33Å; L190-W195 PolarHBondContact O-NE1 3.08Å; N193-W195 VanDerWaalsContact C-N 3.28Å; N193-W195 HydrophobicContact CB-CD2 4.28Å; N193-W195 HydrophobicContact CB-CZ2 3.68Å; N193-W195 PolarHBondContact O-N 2.89Å; W195-L201 HydrophobicContact CB-CD2 4.25Å; W195-L201 HydrophobicContact CE3-CD1 4.16Å; W195-V220 HydrophobicContact CB-CG1 4.38Å; W195-V220 HydrophobicContact CD2-CG1 3.83Å; W195-V220 HydrophobicContact CG-CG1 3.68Å; W195-E223 PolarHBondContact O-N 2.75Å; W195-T224 PolarHBondContact O-N 3.43Å
196N91.4Very high88.3Confident40 Ų4031.8 Ų31.821%0.21418%0.18CC..EExtended strand (participates in β ladder)trans-96.188.9173.3177.133.8000110K171 P194 S198 E200 T224K171-N196 HydrophobicContact CB-CB 4.17Å; K171-N196 WeakPolarHBondContact O-CB 3.31Å; K171-N196 PolarHBondContact O-N 3.42Å; P194-N196 PolarHBondContact O-N 2.96Å; N196-S198 PolarHBondContact O-N 3.11Å; N196-E200 PolarHBondContact ND2-OE2 3.4Å; N196-T224 CarbonylContact C-O 3.53Å; N196-T224 WeakPolarHBondContact CA-O 3.4Å; N196-T224 WeakPolarHBondContact CA-OG1 3.39Å; N196-T224 PolarHBondContact OD1-OG1 2.76Å
197C91Very high88.8Confident0 Ų029.4 Ų29.40%016%0.163CC..  trans-70.965176-69.30000112.3L201 C222 T224 P225 L228 L241C197-L201 HydrophobicContact CB-CD2 4.3Å; C197-L201 VanDerWaalsContact SG-CD2 3.5Å; C197-C222 HydrophobicContact CB-CB 3.7Å; C197-C222 WeakPolarHBondContact CB-SG 3.07Å; C197-C222 WeakPolarHBondContact SG-CA 3.35Å; C197-C222 WeakPolarHBondContact SG-CB 3.21Å; C197-C222 CovalentContact SG-SG 2.01Å; C197-C222 PolarHBondContact SG-SG 3.4Å; C197-T224 WeakPolarHBondContact CB-O 3.33Å; C197-T224 PolarHBondContact N-O 2.83Å; C197-P225 VanDerWaalsContact O-CD 3.25Å; C197-P225 WeakPolarHBondContact O-CD 3.33Å; C197-L228 HydrophobicContact CB-CB 4.44Å; C197-L228 HydrophobicContact CB-CD1 4.13Å; C197-L228 WeakPolarHBondContact O-CD1 3.26Å; C197-L241 HydrophobicContact CB-CD2 3.58Å
198S90.1Very high89.2Confident26 Ų2629.8 Ų29.818%0.18217%0.165CC..SBendtrans-105.4-172.6173.685.20000110.7N196 E200 L201 L241N196-S198 PolarHBondContact O-N 3.11Å; S198-E200 PolarHBondContact O-N 3.1Å; S198-E200 WeakPolarHBondContact OG-CB 3.32Å; S198-E200 PolarHBondContact OG-N 3.27Å; S198-E200 VanDerWaalsContact OG-N 3.12Å; S198-E200 PolarHBondContact OG-OE2 3.15Å; S198-L201 PolarHBondContact O-N 3.18Å; S198-L201 VanDerWaalsContact O-N 3.1Å; S198-L241 CarbonylContact C-O 3.49Å
199C88.2Confident89Confident65 Ų6535 Ų3544%0.43919%0.19SC..G310 helixtrans-50.6-29170-59.80000113.8L201 I202 L241 C242C199-L201 VanDerWaalsContact C-N 3.32Å; C199-L201 PolarHBondContact O-N 2.99Å; C199-I202 WeakPolarHBondContact O-CB 3.24Å; C199-I202 PolarHBondContact O-N 3.03Å; C199-L241 PolarHBondContact N-O 3.17Å; C199-L241 VanDerWaalsContact N-O 3.1Å; C199-C242 HydrophobicContact CB-CB 3.69Å; C199-C242 WeakPolarHBondContact CB-SG 3.43Å; C199-C242 WeakPolarHBondContact SG-CA 3.16Å; C199-C242 WeakPolarHBondContact SG-CB 3.36Å; C199-C242 CovalentContact SG-SG 2.04Å; C199-C242 PolarHBondContact SG-SG 2.98Å
200E85.2Confident88.7Confident106 Ų10638.2 Ų38.250%0.49521%0.214SC..G310 helixtrans-70.3-28.7-177.1-63.9162.6158.800112.1M172 N196 S198 I202M172-E200 HydrophobicContact CE-CB 4.2Å; N196-E200 PolarHBondContact ND2-OE2 3.4Å; S198-E200 PolarHBondContact O-N 3.1Å; S198-E200 WeakPolarHBondContact OG-CB 3.32Å; S198-E200 PolarHBondContact OG-N 3.27Å; S198-E200 VanDerWaalsContact OG-N 3.12Å; S198-E200 PolarHBondContact OG-OE2 3.15Å; E200-I202 VanDerWaalsContact C-N 3.34Å
201L90.9Very high87.9Confident0 Ų040.4 Ų40.40%023%0.226CC..G310 helixtrans-86.5-2.6-177.8-146.666.3000113.8M172 W195 C197 S198 C199 A203 L204 K205 L233M172-L201 HydrophobicContact CB-CD1 4.26Å; W195-L201 HydrophobicContact CB-CD2 4.25Å; W195-L201 HydrophobicContact CE3-CD1 4.16Å; C197-L201 HydrophobicContact CB-CD2 4.3Å; C197-L201 VanDerWaalsContact SG-CD2 3.5Å; S198-L201 PolarHBondContact O-N 3.18Å; S198-L201 VanDerWaalsContact O-N 3.1Å; C199-L201 VanDerWaalsContact C-N 3.32Å; C199-L201 PolarHBondContact O-N 2.99Å; L201-A203 PolarHBondContact O-N 3.36Å; L201-L204 HydrophobicContact CD1-CB 4.17Å; L201-L204 HydrophobicContact CD1-CD2 3.96Å; L201-L204 HydrophobicContact CG-CB 4.29Å; L201-L204 HydrophobicContact CG-CD2 4.3Å; L201-L204 PolarHBondContact O-N 3.17Å; L201-K205 PolarHBondContact O-N 2.98Å; L201-L233 HydrophobicContact CD2-CD1 3.96Å; L201-L233 HydrophobicContact CD2-CD2 3.78Å; L201-L233 HydrophobicContact CD2-CG 4.45Å; L201-L233 HydrophobicContact CG-CD1 4.32Å; L201-L233 HydrophobicContact CG-CD2 3.81Å
202I89.2Confident86.9Confident47 Ų4740.7 Ų40.724%0.24124%0.236CC..Hα-helixtrans-57.6-31.4170.8-71.5178.2000111.3C199 E200 K205 A206 K238 L241 C242C199-I202 WeakPolarHBondContact O-CB 3.24Å; C199-I202 PolarHBondContact O-N 3.03Å; E200-I202 VanDerWaalsContact C-N 3.34Å; I202-K205 PolarHBondContact O-N 3.13Å; I202-A206 VanDerWaalsContact O-CB 3.28Å; I202-A206 WeakPolarHBondContact O-CB 3.43Å; I202-A206 PolarHBondContact O-N 3.38Å; I202-K238 HydrophobicContact CD1-CB 4.4Å; I202-K238 WeakPolarHBondContact CD1-O 3.42Å; I202-K238 HydrophobicContact CG2-CD 4.44Å; I202-K238 HydrophobicContact CG2-CG 4.31Å; I202-L241 HydrophobicContact CD1-CB 4.24Å; I202-L241 HydrophobicContact CG1-CB 3.8Å; I202-L241 HydrophobicContact CG1-CD1 3.73Å; I202-L241 HydrophobicContact CG1-CG 4.43Å; I202-C242 HydrophobicContact CD1-CB 3.44Å; I202-C242 VanDerWaalsContact CD1-CB 3.44Å
203A87.5Confident85.6Confident31 Ų3145.9 Ų45.926%0.25625%0.252SS..Hα-helixtrans-61.1-51.2177.100000111.9L201 A206 W207L201-A203 PolarHBondContact O-N 3.36Å; A203-A206 PolarHBondContact O-N 3.48Å; A203-W207 PolarHBondContact O-N 2.9Å
204L91.3Very high83.7Confident0 Ų050.2 Ų50.20%028%0.279CS..Hα-helixtrans-62.5-47.5174.7178.960.1000110.9F173 L179 L190 L201 A206 W207 L208 V220 L233F173-L204 HydrophobicContact CB-CB 4.48Å; F173-L204 HydrophobicContact CB-CD1 4.25Å; F173-L204 HydrophobicContact CB-CD2 3.98Å; F173-L204 HydrophobicContact CB-CG 4.47Å; L179-L204 HydrophobicContact CD1-CB 4.42Å; L179-L204 HydrophobicContact CD1-CD1 4Å; L179-L204 HydrophobicContact CD2-CD1 4.27Å; L190-L204 HydrophobicContact CD1-CD1 4.34Å; L201-L204 HydrophobicContact CD1-CB 4.17Å; L201-L204 HydrophobicContact CD1-CD2 3.96Å; L201-L204 HydrophobicContact CG-CB 4.29Å; L201-L204 HydrophobicContact CG-CD2 4.3Å; L201-L204 PolarHBondContact O-N 3.17Å; L204-A206 VanDerWaalsContact C-N 3.34Å; L204-A206 PolarHBondContact O-N 3.28Å; L204-W207 HydrophobicContact CD1-CE3 4.17Å; L204-W207 WeakPolarHBondContact O-CB 3.4Å; L204-W207 PolarHBondContact O-N 2.83Å; L204-L208 HydrophobicContact CD1-CG 4.29Å; L204-L208 HydrophobicContact CG-CD1 4.19Å; L204-L208 HydrophobicContact CG-CG 4.4Å; L204-L208 WeakPolarHBondContact O-CG 3.36Å; L204-L208 PolarHBondContact O-N 3.3Å; L204-V220 HydrophobicContact CD2-CG1 3.83Å; L204-V220 HydrophobicContact CD2-CG2 4.29Å; L204-L233 HydrophobicContact CB-CD2 4.11Å; L204-L233 HydrophobicContact CD2-CD2 3.75Å; L204-L233 HydrophobicContact CG-CD2 3.79Å
205K89.3Confident82.5Confident10 Ų1049.5 Ų49.54%0.04328%0.276CS..Hα-helixtrans-57.4-44.7178.6-177170.5-177.7670112.8L201 I202 W207 L208 E209 L233 D234 V236 K238 L241L201-K205 PolarHBondContact O-N 2.98Å; I202-K205 PolarHBondContact O-N 3.13Å; K205-W207 PolarHBondContact O-N 2.7Å; K205-L208 PolarHBondContact O-N 3.13Å; K205-E209 WeakPolarHBondContact CE-OE1 3.15Å; K205-E209 IonicContact NZ-OE1 2.7Å; K205-E209 WeakPolarHBondContact O-CG 3.46Å; K205-E209 PolarHBondContact O-N 3.3Å; K205-L233 HydrophobicContact CB-CD1 4.07Å; K205-L233 HydrophobicContact CB-CD2 4.13Å; K205-L233 HydrophobicContact CB-CG 3.95Å; K205-L233 HydrophobicContact CD-CD1 4.44Å; K205-L233 HydrophobicContact CG-CG 4.4Å; K205-L233 PolarHBondContact NZ-O 2.94Å; K205-D234 VanDerWaalsContact NZ-CA 3.26Å; K205-D234 PolarHBondContact NZ-O 2.77Å; K205-V236 WeakPolarHBondContact CD-O 3.5Å; K205-V236 WeakPolarHBondContact CE-O 3.02Å; K205-V236 PolarHBondContact NZ-O 2.78Å; K205-K238 HydrophobicContact CD-CG 4.08Å; K205-L241 HydrophobicContact CB-CD1 4.16Å; K205-L241 HydrophobicContact CD-CD1 3.91Å
206A86.4Confident81.3Confident40 Ų4053.3 Ų53.333%0.33130%0.296SS..Hα-helixtrans-66.9-24.9179.500000113I202 A203 L204 S210I202-A206 VanDerWaalsContact O-CB 3.28Å; I202-A206 WeakPolarHBondContact O-CB 3.43Å; I202-A206 PolarHBondContact O-N 3.38Å; A203-A206 PolarHBondContact O-N 3.48Å; L204-A206 VanDerWaalsContact C-N 3.34Å; L204-A206 PolarHBondContact O-N 3.28Å; A206-S210 WeakPolarHBondContact O-CB 3.29Å; A206-S210 PolarHBondContact O-OG 2.94Å
207W88.5Confident80.9Confident17 Ų1753 Ų536%0.06430%0.296CS..Hα-helixtrans-78-45173.2179.887.6000111.8L179 M182 V185 L188 A203 L204 K205 E209 S210 I211L179-W207 HydrophobicContact CB-CD2 4.34Å; L179-W207 HydrophobicContact CB-CG 4.02Å; L179-W207 HydrophobicContact CD1-CB 3.83Å; L179-W207 HydrophobicContact CD1-CD2 4.26Å; L179-W207 HydrophobicContact CD1-CG 3.94Å; L179-W207 HydrophobicContact CD2-CD2 3.7Å; L179-W207 HydrophobicContact CD2-CE3 3.86Å; L179-W207 HydrophobicContact CD2-CG 4.16Å; L179-W207 HydrophobicContact CD2-CH2 4.21Å; L179-W207 HydrophobicContact CD2-CZ2 4.06Å; L179-W207 HydrophobicContact CD2-CZ3 4.12Å; L179-W207 HydrophobicContact CG-CD2 4.32Å; L179-W207 HydrophobicContact CG-CG 4.26Å; M182-W207 HydrophobicContact CB-CZ2 4.3Å; V185-W207 HydrophobicContact CG1-CH2 3.91Å; V185-W207 HydrophobicContact CG1-CZ2 3.82Å; L188-W207 HydrophobicContact CD2-CH2 3.41Å; L188-W207 VanDerWaalsContact CD2-CH2 3.41Å; L188-W207 HydrophobicContact CD2-CZ2 4.49Å; L188-W207 HydrophobicContact CD2-CZ3 3.64Å; A203-W207 PolarHBondContact O-N 2.9Å; L204-W207 HydrophobicContact CD1-CE3 4.17Å; L204-W207 WeakPolarHBondContact O-CB 3.4Å; L204-W207 PolarHBondContact O-N 2.83Å; K205-W207 PolarHBondContact O-N 2.7Å; W207-E209 VanDerWaalsContact C-N 3.33Å; W207-E209 PolarHBondContact O-N 3.42Å; W207-S210 WeakPolarHBondContact CA-OG 3.39Å; W207-S210 CarbonylContact O-C 3.29Å; W207-S210 WeakPolarHBondContact O-CA 3.24Å; W207-S210 PolarHBondContact O-N 3.43Å; W207-S210 PolarHBondContact O-OG 3.38Å; W207-I211 HydrophobicContact CH2-CD1 3.38Å; W207-I211 HydrophobicContact CH2-CG1 4.41Å; W207-I211 HydrophobicContact CZ2-CD1 3.66Å; W207-I211 HydrophobicContact CZ2-CG1 4.29Å; W207-I211 HydrophobicContact CZ3-CD1 3.87Å; W207-I211 PolarHBondContact O-N 3.19Å
208L86.9Confident80.1Confident17 Ų1753.5 Ų53.59%0.08930%0.3CS..Hα-helixtrans-55.2-46.2173.8-66172.3000111.6L204 K205 S210 I211 V217 V220 L233 D234L204-L208 HydrophobicContact CD1-CG 4.29Å; L204-L208 HydrophobicContact CG-CD1 4.19Å; L204-L208 HydrophobicContact CG-CG 4.4Å; L204-L208 WeakPolarHBondContact O-CG 3.36Å; L204-L208 PolarHBondContact O-N 3.3Å; K205-L208 PolarHBondContact O-N 3.13Å; L208-S210 PolarHBondContact O-N 3.34Å; L208-I211 WeakPolarHBondContact O-CG2 3.42Å; L208-I211 PolarHBondContact O-N 3.1Å; L208-V217 HydrophobicContact CD2-CB 4.26Å; L208-V217 HydrophobicContact CD2-CG1 3.61Å; L208-V217 HydrophobicContact CD2-CG2 4.5Å; L208-V220 HydrophobicContact CD1-CG2 4.24Å; L208-L233 HydrophobicContact CD1-CD2 3.94Å; L208-L233 HydrophobicContact CD1-CG 4.36Å; L208-D234 WeakPolarHBondContact CB-OD1 3.33Å
209E84Confident79.6Confident112 Ų11253.9 Ų53.952%0.52330%0.299SS..THydrogen-bonded Turntrans-60.5-12.5173.5-73.7174.7-154.100114.7K205 W207 K238K205-E209 WeakPolarHBondContact CE-OE1 3.15Å; K205-E209 IonicContact NZ-OE1 2.7Å; K205-E209 WeakPolarHBondContact O-CG 3.46Å; K205-E209 PolarHBondContact O-N 3.3Å; W207-E209 VanDerWaalsContact C-N 3.33Å; W207-E209 PolarHBondContact O-N 3.42Å; E209-K238 WeakPolarHBondContact OE1-CE 3.49Å; E209-K238 IonicContact OE1-NZ 3.06Å; E209-K238 PolarHBondContact OE1-NZ 3.24Å; E209-K238 IonicContact OE2-NZ 2.58Å; E209-K238 PolarHBondContact OE2-NZ 3.39Å
210S79.9Confident79.7Confident85 Ų8550.8 Ų50.859%0.59428%0.279SS*.THydrogen-bonded Turntrans-118.6-10.1-171.876.20000115A206 W207 L208A206-S210 WeakPolarHBondContact O-CB 3.29Å; A206-S210 PolarHBondContact O-OG 2.94Å; W207-S210 WeakPolarHBondContact CA-OG 3.39Å; W207-S210 CarbonylContact O-C 3.29Å; W207-S210 WeakPolarHBondContact O-CA 3.24Å; W207-S210 PolarHBondContact O-N 3.43Å; W207-S210 PolarHBondContact O-OG 3.38Å; L208-S210 PolarHBondContact O-N 3.34Å
211I77.1Confident79.7Confident47 Ų4747.3 Ų47.324%0.24126%0.264CS..SBendtrans-69.8159.1-176.2-154.6178.3000111.2V185 W207 L208 Y213 A215 V217V185-I211 HydrophobicContact CG1-CD1 4.02Å; W207-I211 HydrophobicContact CH2-CD1 3.38Å; W207-I211 HydrophobicContact CH2-CG1 4.41Å; W207-I211 HydrophobicContact CZ2-CD1 3.66Å; W207-I211 HydrophobicContact CZ2-CG1 4.29Å; W207-I211 HydrophobicContact CZ3-CD1 3.87Å; W207-I211 PolarHBondContact O-N 3.19Å; L208-I211 WeakPolarHBondContact O-CG2 3.42Å; L208-I211 PolarHBondContact O-N 3.1Å; I211-Y213 PolarHBondContact O-N 3.05Å; I211-A215 HydrophobicContact CD1-CB 3.71Å; I211-A215 HydrophobicContact CG1-CB 4.09Å; I211-V217 HydrophobicContact CD1-CG2 3.72Å
212A66.3Low79.4Confident54 Ų5447.3 Ų47.345%0.44627%0.265SS..  trans-65.2132.5173.200000110.6T214 A215A212-T214 PolarHBondContact O-N 3.02Å; A212-A215 WeakPolarHBondContact O-CB 3.09Å; A212-A215 PolarHBondContact O-N 2.95Å
213Y58.3Low79.2Confident226 Ų22649.3 Ų49.389%0.88627%0.273SS*.THydrogen-bonded Turntrans-60.4-5.5176.766.5-90.3000114.9I211I211-Y213 PolarHBondContact O-N 3.05Å
214T52.2Low78.7Confident100 Ų10050.5 Ų50.561%0.61328%0.277SS*.THydrogen-bonded Turntrans-91-1317453.60000113.3A212A212-T214 PolarHBondContact O-N 3.02Å
215A65.1Low78.2Confident17 Ų1752 Ų5214%0.1429%0.287CS..SBendtrans-84.5130.3174.800000109.6V186 I211 A212V186-A215 CarbonylContact O-C 3.14Å; V186-A215 VanDerWaalsContact O-CA 3.23Å; V186-A215 WeakPolarHBondContact O-CA 3.35Å; I211-A215 HydrophobicContact CD1-CB 3.71Å; I211-A215 HydrophobicContact CG1-CB 4.09Å; A212-A215 WeakPolarHBondContact O-CB 3.09Å; A212-A215 PolarHBondContact O-N 2.95Å
216L69.4Low77.3Confident79 Ų7959.7 Ų59.741%0.41432%0.32SS..EExtended strand (participates in β ladder)trans-86.6120.1172.8-175.760.4000108.7V186 E187 L188V186-L216 PolarHBondContact O-N 3.36Å; E187-L216 CarbonylContact C-O 3.53Å; E187-L216 WeakPolarHBondContact CA-O 3.47Å; E187-L216 HydrophobicContact CG-CB 4.4Å; E187-L216 WeakPolarHBondContact OE1-CD2 3.4Å; L188-L216 PolarHBondContact N-O 3.24Å
217V83.1Confident77Confident34 Ų3465.9 Ų65.921%0.20634%0.335CS..EExtended strand (participates in β ladder)trans-119134.4175.2-168.90000109.8L188 L190 L208 I211L188-V217 HydrophobicContact CB-CG1 4.35Å; L188-V217 HydrophobicContact CD2-CG1 4.48Å; L188-V217 HydrophobicContact CG-CG1 4.46Å; L188-V217 CarbonylContact O-C 3.21Å; L188-V217 VanDerWaalsContact O-CA 3.28Å; L188-V217 WeakPolarHBondContact O-CA 3.43Å; L190-V217 HydrophobicContact CD1-CG1 4.24Å; L208-V217 HydrophobicContact CD2-CB 4.26Å; L208-V217 HydrophobicContact CD2-CG1 3.61Å; L208-V217 HydrophobicContact CD2-CG2 4.5Å; I211-V217 HydrophobicContact CD1-CG2 3.72Å
218G72.7Confident76.5Confident10 Ų1065.5 Ų65.510%0.10333%0.334CS..  trans-68.7151.9177.700000113.5L188 E191 V220L188-G218 PolarHBondContact O-N 3.01Å; E191-G218 WeakPolarHBondContact OE1-CA 3.4Å; E191-G218 WeakPolarHBondContact OE2-CA 3.43Å; G218-V220 PolarHBondContact O-N 3.01Å
219E80.1Confident75.9Confident34 Ų3466.4 Ų66.416%0.15934%0.338CS..  trans-68.4125.9-176.6-62.9-164.3146.500112.1V221 K331 Y333 L355E219-V221 HydrophobicContact CB-CG2 4.43Å; E219-V221 PolarHBondContact O-N 2.87Å; E219-K331 IonicContact OE1-NZ 3.72Å; E219-K331 PolarHBondContact OE1-NZ 3.46Å; E219-Y333 PolarHBondContact OE1-OH 3.36Å; E219-Y333 VanDerWaalsContact OE2-CE1 3.23Å; E219-Y333 WeakPolarHBondContact OE2-CE1 3.3Å; E219-Y333 VanDerWaalsContact OE2-CZ 3.31Å; E219-Y333 PolarHBondContact OE2-OH 3.47Å; E219-L355 WeakPolarHBondContact OE1-CD1 3.42Å
220V89.6Confident75.3Confident1 Ų161.3 Ų61.31%0.00632%0.315CS..  trans-96.678.1-174.3-177.80000109.1L190 W195 L204 L208 G218 C222 L233L190-V220 HydrophobicContact CB-CG2 3.98Å; L190-V220 HydrophobicContact CD1-CG2 3.73Å; W195-V220 HydrophobicContact CB-CG1 4.38Å; W195-V220 HydrophobicContact CD2-CG1 3.83Å; W195-V220 HydrophobicContact CG-CG1 3.68Å; L204-V220 HydrophobicContact CD2-CG1 3.83Å; L204-V220 HydrophobicContact CD2-CG2 4.29Å; L208-V220 HydrophobicContact CD1-CG2 4.24Å; G218-V220 PolarHBondContact O-N 3.01Å; V220-C222 PolarHBondContact O-N 2.96Å; V220-L233 HydrophobicContact CB-CB 3.79Å; V220-L233 HydrophobicContact CB-CD2 4.32Å; V220-L233 HydrophobicContact CG1-CB 3.85Å; V220-L233 HydrophobicContact CG1-CD2 3.78Å; V220-L233 HydrophobicContact CG1-CG 4.47Å; V220-L233 WeakPolarHBondContact O-CB 3.15Å; V220-L233 PolarHBondContact O-N 3.41Å
221V85.6Confident75Confident32 Ų3258.4 Ų58.419%0.19429%0.291CS..EExtended strand (participates in β ladder)trans-77.7116.3-176-174.20000111.4E219 E223 R231E219-V221 HydrophobicContact CB-CG2 4.43Å; E219-V221 PolarHBondContact O-N 2.87Å; V221-E223 PolarHBondContact O-N 2.94Å; V221-R231 CarbonylContact C-O 3.09Å; V221-R231 WeakPolarHBondContact CA-O 3.17Å
222C84.4Confident75.2Confident1 Ų156.8 Ų56.81%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-57122.3173.9-60.50000112.2C197 V220 L228 H229 G230 R231C197-C222 HydrophobicContact CB-CB 3.7Å; C197-C222 WeakPolarHBondContact CB-SG 3.07Å; C197-C222 WeakPolarHBondContact SG-CA 3.35Å; C197-C222 WeakPolarHBondContact SG-CB 3.21Å; C197-C222 CovalentContact SG-SG 2.01Å; C197-C222 PolarHBondContact SG-SG 3.4Å; V220-C222 PolarHBondContact O-N 2.96Å; C222-L228 HydrophobicContact CB-CB 4.45Å; C222-L228 WeakPolarHBondContact CB-O 3.24Å; C222-H229 CarbonylContact O-C 3.11Å; C222-H229 VanDerWaalsContact O-CA 3.31Å; C222-H229 WeakPolarHBondContact O-CA 3.04Å; C222-G230 PolarHBondContact O-N 3.38Å; C222-R231 VanDerWaalsContact CB-O 3.29Å; C222-R231 WeakPolarHBondContact CB-O 3.45Å; C222-R231 PolarHBondContact N-O 2.78Å; C222-R231 PolarHBondContact SG-O 3.15Å
223E85.6Confident76.2Confident88 Ų8854.2 Ų54.241%0.41126%0.262SS..EExtended strand (participates in β ladder)trans-94.3-37.8169.617147.1-151.500111.1P194 W195 V221 H229P194-E223 HydrophobicContact CB-CB 4.14Å; P194-E223 HydrophobicContact CB-CG 3.93Å; W195-E223 PolarHBondContact O-N 2.75Å; V221-E223 PolarHBondContact O-N 2.94Å; E223-H229 WeakPolarHBondContact O-CB 3.27Å; E223-H229 PolarHBondContact O-ND1 2.63Å; E223-H229 VanDerWaalsContact O-ND1 3.1Å; E223-H229 IonicContact OE1-ND1 3.83Å; E223-H229 IonicContact OE2-CE1 2.97Å; E223-H229 PolarHBondContact OE2-CE1 3.36Å; E223-H229 IonicContact OE2-ND1 2.89Å; E223-H229 PolarHBondContact OE2-ND1 3.49Å
224T76.2Confident77.3Confident57 Ų5747.6 Ų47.635%0.3524%0.242SC..EExtended strand (participates in β ladder)trans-131.8158.1176.451.70000111.4W195 N196 C197W195-T224 PolarHBondContact O-N 3.43Å; N196-T224 CarbonylContact C-O 3.53Å; N196-T224 WeakPolarHBondContact CA-O 3.4Å; N196-T224 WeakPolarHBondContact CA-OG1 3.39Å; N196-T224 PolarHBondContact OD1-OG1 2.76Å; C197-T224 WeakPolarHBondContact CB-O 3.33Å; C197-T224 PolarHBondContact N-O 2.83Å
225P81.6Confident78.4Confident30 Ų3044.7 Ų44.720%0.19522%0.221CC..SBendcis-71.5159.3-1132.8-36.2000111.8C197 R227 L228 H229C197-P225 VanDerWaalsContact O-CD 3.25Å; C197-P225 WeakPolarHBondContact O-CD 3.33Å; P225-R227 HydrophobicContact CB-CG 4.31Å; P225-R227 HydrophobicContact CG-CG 4.04Å; P225-R227 PolarHBondContact O-N 2.77Å; P225-L228 HydrophobicContact CG-CD1 4.42Å; P225-L228 PolarHBondContact O-N 3.37Å; P225-H229 PolarHBondContact O-N 3.34Å
226F71.1Confident79.2Confident172 Ų17243.9 Ų43.975%0.75422%0.215SC*.G310 helixtrans-45.7-35.7-177.8-180-96.9000115.5L228 H229F226-L228 PolarHBondContact O-N 2.8Å; F226-H229 WeakPolarHBondContact O-CB 2.88Å; F226-H229 PolarHBondContact O-N 2.65Å
227R78.9Confident80Confident170 Ų17042 Ų4264%0.64221%0.208SC*.G310 helixtrans-69-6.2176.853.9178.515584.31.3115.4P225P225-R227 HydrophobicContact CB-CG 4.31Å; P225-R227 HydrophobicContact CG-CG 4.04Å; P225-R227 PolarHBondContact O-N 2.77Å
228L78.9Confident80.1Confident9 Ų943.3 Ų43.35%0.04721%0.211CC..G310 helixtrans-128.23.5173.2-65.8174.5000112.1C197 C222 P225 F226 R231 V236 E240 L241C197-L228 HydrophobicContact CB-CB 4.44Å; C197-L228 HydrophobicContact CB-CD1 4.13Å; C197-L228 WeakPolarHBondContact O-CD1 3.26Å; C222-L228 HydrophobicContact CB-CB 4.45Å; C222-L228 WeakPolarHBondContact CB-O 3.24Å; P225-L228 HydrophobicContact CG-CD1 4.42Å; P225-L228 PolarHBondContact O-N 3.37Å; F226-L228 PolarHBondContact O-N 2.8Å; L228-R231 VanDerWaalsContact O-CB 3.28Å; L228-R231 WeakPolarHBondContact O-CB 3.25Å; L228-R231 WeakPolarHBondContact O-CG 3.21Å; L228-R231 PolarHBondContact O-N 2.9Å; L228-V236 HydrophobicContact CD1-CG1 3.9Å; L228-V236 HydrophobicContact CD2-CG1 3.75Å; L228-V236 HydrophobicContact CD2-CG2 4.23Å; L228-V236 HydrophobicContact CG-CG1 4.44Å; L228-E240 HydrophobicContact CD2-CB 4.31Å; L228-L241 HydrophobicContact CD1-CD2 4.37Å
229H74.9Confident80.7Confident37 Ų3749.4 Ų49.417%0.17124%0.237CC..THydrogen-bonded Turntrans-61.4136.2-178.7167.298.5000111.5C222 E223 P225 F226 R314C222-H229 CarbonylContact O-C 3.11Å; C222-H229 VanDerWaalsContact O-CA 3.31Å; C222-H229 WeakPolarHBondContact O-CA 3.04Å; E223-H229 WeakPolarHBondContact O-CB 3.27Å; E223-H229 PolarHBondContact O-ND1 2.63Å; E223-H229 VanDerWaalsContact O-ND1 3.1Å; E223-H229 IonicContact OE1-ND1 3.83Å; E223-H229 IonicContact OE2-CE1 2.97Å; E223-H229 PolarHBondContact OE2-CE1 3.36Å; E223-H229 IonicContact OE2-ND1 2.89Å; E223-H229 PolarHBondContact OE2-ND1 3.49Å; P225-H229 PolarHBondContact O-N 3.34Å; F226-H229 WeakPolarHBondContact O-CB 2.88Å; F226-H229 PolarHBondContact O-N 2.65Å; H229-R314 PolarHBondContact CD2-NH2 3.49Å; H229-R314 PolarHBondContact NE2-NH2 3.28Å; H229-R314 VanDerWaalsContact NE2-NH2 3.19Å
230G71.4Confident80.9Confident4 Ų451.4 Ų51.44%0.04125%0.246CC..THydrogen-bonded Turntrans77.116.1-175.600000114.6C222 N310C222-G230 PolarHBondContact O-N 3.38Å; G230-N310 WeakPolarHBondContact CA-ND2 3.06Å; G230-N310 WeakPolarHBondContact O-CB 3.39Å; G230-N310 PolarHBondContact O-ND2 3.14Å
231R73Confident80.8Confident24 Ų2451.5 Ų51.59%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-105136.1177.2-61.9-164.161.2-169.1-2.5112V221 C222 L228 E235 V236 E240 N299V221-R231 CarbonylContact C-O 3.09Å; V221-R231 WeakPolarHBondContact CA-O 3.17Å; C222-R231 VanDerWaalsContact CB-O 3.29Å; C222-R231 WeakPolarHBondContact CB-O 3.45Å; C222-R231 PolarHBondContact N-O 2.78Å; C222-R231 PolarHBondContact SG-O 3.15Å; L228-R231 VanDerWaalsContact O-CB 3.28Å; L228-R231 WeakPolarHBondContact O-CB 3.25Å; L228-R231 WeakPolarHBondContact O-CG 3.21Å; L228-R231 PolarHBondContact O-N 2.9Å; R231-E235 PolarHBondContact NH2-O 2.97Å; R231-V236 HydrophobicContact CB-CG2 3.69Å; R231-E240 IonicContact CZ-OE2 3.6Å; R231-E240 IonicContact NH1-OE2 3.46Å; R231-E240 PolarHBondContact NH1-OE2 3.49Å; R231-E240 IonicContact NH2-OE2 2.83Å; R231-N299 VanDerWaalsContact CD-OD1 3.24Å; R231-N299 WeakPolarHBondContact CD-OD1 3.37Å; R231-N299 PolarHBondContact NE-OD1 2.99Å
232D81.1Confident80.8Confident14 Ų1452 Ų528%0.07525%0.251CS..EExtended strand (participates in β ladder)trans-69.1132.9167.9-177.55.4000110.2D234 E235 V236 K331D232-D234 PolarHBondContact O-N 2.89Å; D232-D234 PolarHBondContact OD1-N 2.9Å; D232-E235 HydrophobicContact CB-CG 4.07Å; D232-E235 WeakPolarHBondContact O-CB 3.48Å; D232-E235 PolarHBondContact O-N 3.15Å; D232-V236 PolarHBondContact O-N 2.99Å; D232-K331 IonicContact OD2-NZ 3.43Å; D232-K331 PolarHBondContact OD2-NZ 3.08Å
233L87.3Confident80.6Confident0 Ų055.5 Ų55.50%027%0.274CS..THydrogen-bonded Turntrans-58.7-31.3-176.5-177.158.4000112.6L201 L204 K205 L208 V220 E235 V236 L241L201-L233 HydrophobicContact CD2-CD1 3.96Å; L201-L233 HydrophobicContact CD2-CD2 3.78Å; L201-L233 HydrophobicContact CD2-CG 4.45Å; L201-L233 HydrophobicContact CG-CD1 4.32Å; L201-L233 HydrophobicContact CG-CD2 3.81Å; L204-L233 HydrophobicContact CB-CD2 4.11Å; L204-L233 HydrophobicContact CD2-CD2 3.75Å; L204-L233 HydrophobicContact CG-CD2 3.79Å; K205-L233 HydrophobicContact CB-CD1 4.07Å; K205-L233 HydrophobicContact CB-CD2 4.13Å; K205-L233 HydrophobicContact CB-CG 3.95Å; K205-L233 HydrophobicContact CD-CD1 4.44Å; K205-L233 HydrophobicContact CG-CG 4.4Å; K205-L233 PolarHBondContact NZ-O 2.94Å; L208-L233 HydrophobicContact CD1-CD2 3.94Å; L208-L233 HydrophobicContact CD1-CG 4.36Å; V220-L233 HydrophobicContact CB-CB 3.79Å; V220-L233 HydrophobicContact CB-CD2 4.32Å; V220-L233 HydrophobicContact CG1-CB 3.85Å; V220-L233 HydrophobicContact CG1-CD2 3.78Å; V220-L233 HydrophobicContact CG1-CG 4.47Å; V220-L233 WeakPolarHBondContact O-CB 3.15Å; V220-L233 PolarHBondContact O-N 3.41Å; L233-E235 PolarHBondContact O-N 2.92Å; L233-V236 PolarHBondContact O-N 3.07Å; L233-L241 HydrophobicContact CD1-CD1 3.78Å; L233-L241 HydrophobicContact CD1-CD2 3.78Å; L233-L241 HydrophobicContact CD1-CG 4.36Å
234D81.6Confident79.8Confident87 Ų8762.8 Ų62.847%0.46530%0.298SS..THydrogen-bonded Turntrans-63.4-28.1175.5-90.7-2.4000112.5K205 L208 D232K205-D234 VanDerWaalsContact NZ-CA 3.26Å; K205-D234 PolarHBondContact NZ-O 2.77Å; L208-D234 WeakPolarHBondContact CB-OD1 3.33Å; D232-D234 PolarHBondContact O-N 2.89Å; D232-D234 PolarHBondContact OD1-N 2.9Å
235E75.6Confident78.6Confident38 Ų3870.9 Ų70.918%0.17832%0.322CS..THydrogen-bonded Turntrans-86.7-21.1179.5-54.2179-160.800113.6R231 D232 L233 N308 K331R231-E235 PolarHBondContact NH2-O 2.97Å; D232-E235 HydrophobicContact CB-CG 4.07Å; D232-E235 WeakPolarHBondContact O-CB 3.48Å; D232-E235 PolarHBondContact O-N 3.15Å; L233-E235 PolarHBondContact O-N 2.92Å; E235-N308 PolarHBondContact OE1-ND2 2.94Å; E235-N308 PolarHBondContact OE2-ND2 3.04Å; E235-K331 WeakPolarHBondContact OE1-CE 3.49Å; E235-K331 IonicContact OE1-NZ 3.73Å; E235-K331 PolarHBondContact OE1-NZ 3.06Å; E235-K331 VanDerWaalsContact OE1-NZ 3.07Å
236V81.1Confident76.8Confident0 Ų075.1 Ų75.10%035%0.349CS..SBendtrans-85.2123.5-178.4-175.30000110.9K205 L228 R231 D232 L233 E240 L241K205-V236 WeakPolarHBondContact CD-O 3.5Å; K205-V236 WeakPolarHBondContact CE-O 3.02Å; K205-V236 PolarHBondContact NZ-O 2.78Å; L228-V236 HydrophobicContact CD1-CG1 3.9Å; L228-V236 HydrophobicContact CD2-CG1 3.75Å; L228-V236 HydrophobicContact CD2-CG2 4.23Å; L228-V236 HydrophobicContact CG-CG1 4.44Å; R231-V236 HydrophobicContact CB-CG2 3.69Å; D232-V236 PolarHBondContact O-N 2.99Å; L233-V236 PolarHBondContact O-N 3.07Å; V236-E240 HydrophobicContact CG1-CB 3.73Å; V236-L241 HydrophobicContact CB-CD2 4.4Å; V236-L241 HydrophobicContact CG1-CD2 3.81Å; V236-L241 HydrophobicContact CG1-CG 3.84Å
237S86.6Confident75.2Confident39 Ų3972.5 Ų72.527%0.27335%0.347SS..  trans-70.1155.8177.476.30000113.1Q239 E240 L241S237-Q239 PolarHBondContact O-N 2.91Å; S237-Q239 VanDerWaalsContact O-N 3.15Å; S237-E240 WeakPolarHBondContact CB-OE1 3.42Å; S237-E240 PolarHBondContact N-OE1 3.47Å; S237-E240 WeakPolarHBondContact O-CB 3.15Å; S237-E240 PolarHBondContact O-N 3.07Å; S237-E240 WeakPolarHBondContact OG-CG 3.43Å; S237-E240 PolarHBondContact OG-N 3.34Å; S237-E240 PolarHBondContact OG-OE1 2.98Å; S237-L241 PolarHBondContact O-N 3.11Å
238K85.2Confident73.4Confident62 Ų6272.4 Ų72.427%0.2735%0.354SS..Hα-helixtrans-60.2-25.9177.2-68.9169.6174.7161.40112.5I202 K205 E209 C242I202-K238 HydrophobicContact CD1-CB 4.4Å; I202-K238 WeakPolarHBondContact CD1-O 3.42Å; I202-K238 HydrophobicContact CG2-CD 4.44Å; I202-K238 HydrophobicContact CG2-CG 4.31Å; K205-K238 HydrophobicContact CD-CG 4.08Å; E209-K238 WeakPolarHBondContact OE1-CE 3.49Å; E209-K238 IonicContact OE1-NZ 3.06Å; E209-K238 PolarHBondContact OE1-NZ 3.24Å; E209-K238 IonicContact OE2-NZ 2.58Å; E209-K238 PolarHBondContact OE2-NZ 3.39Å; K238-C242 PolarHBondContact O-N 3.04Å; K238-C242 VanDerWaalsContact O-N 3.08Å
239Q85.4Confident71.1Confident139 Ų13979.3 Ų79.365%0.6539%0.391SS*.Hα-helixtrans-75.9-26.6174.2-69.680-9.100113.1S237 C242 P243S237-Q239 PolarHBondContact O-N 2.91Å; S237-Q239 VanDerWaalsContact O-N 3.15Å; Q239-C242 CarbonylContact O-C 3.29Å; Q239-C242 VanDerWaalsContact O-C 3.26Å; Q239-P243 WeakPolarHBondContact O-CA 3.49Å
240E83.9Confident69.3Low75 Ų7582.9 Ų82.935%0.3542%0.416SS..Hα-helixtrans-83-37.1175.4-71.2159.6-93.600111.9L228 R231 V236 S237L228-E240 HydrophobicContact CD2-CB 4.31Å; R231-E240 IonicContact CZ-OE2 3.6Å; R231-E240 IonicContact NH1-OE2 3.46Å; R231-E240 PolarHBondContact NH1-OE2 3.49Å; R231-E240 IonicContact NH2-OE2 2.83Å; V236-E240 HydrophobicContact CG1-CB 3.73Å; S237-E240 WeakPolarHBondContact CB-OE1 3.42Å; S237-E240 PolarHBondContact N-OE1 3.47Å; S237-E240 WeakPolarHBondContact O-CB 3.15Å; S237-E240 PolarHBondContact O-N 3.07Å; S237-E240 WeakPolarHBondContact OG-CG 3.43Å; S237-E240 PolarHBondContact OG-N 3.34Å; S237-E240 PolarHBondContact OG-OE1 2.98Å
241L87Confident67.7Low3 Ų388.2 Ų88.22%0.01645%0.447CS..Hα-helixtrans-59.2-46.7168.2-67.3175.4000111.1C197 S198 C199 I202 K205 L228 L233 V236 S237C197-L241 HydrophobicContact CB-CD2 3.58Å; S198-L241 CarbonylContact C-O 3.49Å; C199-L241 PolarHBondContact N-O 3.17Å; C199-L241 VanDerWaalsContact N-O 3.1Å; I202-L241 HydrophobicContact CD1-CB 4.24Å; I202-L241 HydrophobicContact CG1-CB 3.8Å; I202-L241 HydrophobicContact CG1-CD1 3.73Å; I202-L241 HydrophobicContact CG1-CG 4.43Å; K205-L241 HydrophobicContact CB-CD1 4.16Å; K205-L241 HydrophobicContact CD-CD1 3.91Å; L228-L241 HydrophobicContact CD1-CD2 4.37Å; L233-L241 HydrophobicContact CD1-CD1 3.78Å; L233-L241 HydrophobicContact CD1-CD2 3.78Å; L233-L241 HydrophobicContact CD1-CG 4.36Å; V236-L241 HydrophobicContact CB-CD2 4.4Å; V236-L241 HydrophobicContact CG1-CD2 3.81Å; V236-L241 HydrophobicContact CG1-CG 3.84Å; S237-L241 PolarHBondContact O-N 3.11Å
242C86.7Confident65.9Low42 Ų4298.7 Ų98.728%0.28449%0.486SS..SBendtrans-128.879.3-179.7-154.80000112.2C199 I202 K238 Q239 R244C199-C242 HydrophobicContact CB-CB 3.69Å; C199-C242 WeakPolarHBondContact CB-SG 3.43Å; C199-C242 WeakPolarHBondContact SG-CA 3.16Å; C199-C242 WeakPolarHBondContact SG-CB 3.36Å; C199-C242 CovalentContact SG-SG 2.04Å; C199-C242 PolarHBondContact SG-SG 2.98Å; I202-C242 HydrophobicContact CD1-CB 3.44Å; I202-C242 VanDerWaalsContact CD1-CB 3.44Å; K238-C242 PolarHBondContact O-N 3.04Å; K238-C242 VanDerWaalsContact O-N 3.08Å; Q239-C242 CarbonylContact O-C 3.29Å; Q239-C242 VanDerWaalsContact O-C 3.26Å; C242-R244 PolarHBondContact O-N 3.13Å
243P78.7Confident64.3Low76 Ų76102.4 Ų102.449%0.49451%0.512SS..  trans-64.7111.8174.326.1-33.2000108.8Q239 R245Q239-P243 WeakPolarHBondContact O-CA 3.49Å; P243-R245 PolarHBondContact O-N 2.95Å
244R69.2Low61.7Low240 Ų240110.7 Ų110.791%0.90655%0.55SS*.PPolyproline II helixtrans-55.8128.4171.8-69.5-176.5176.7-177.4-1.3108C242C242-R244 PolarHBondContact O-N 3.13Å
245R52.3Low59.4Low228 Ų228113.1 Ų113.186%0.8656%0.562SS**PPolyproline II helixtrans-54.6137166.2-65.9-176.3-178.2-176.80.9107.7P243 V247P243-R245 PolarHBondContact O-N 2.95Å; R245-V247 PolarHBondContact O-N 3.1Å
246P42.1Very low57.3Low119 Ų119118.4 Ų118.477%0.77359%0.591SS**PPolyproline II helixtrans-56.3129.9161.626.8-32.4000107.1E248P246-E248 PolarHBondContact O-N 2.7Å
247V38.8Very low54.9Low117 Ų117125.7 Ų125.771%0.70963%0.629SS**PPolyproline II helixtrans-68.2123.9172177.20000106.4R245 D249R245-V247 PolarHBondContact O-N 3.1Å; V247-D249 VanDerWaalsContact C-N 3.33Å; V247-D249 PolarHBondContact O-N 3.07Å
248E39.7Very low52.3Low168 Ų168129.5 Ų129.579%0.78566%0.656SS**  trans-69.997.6165.3-69.7-174.6116.300107.2P246 T250P246-E248 PolarHBondContact O-N 2.7Å; E248-T250 HydrophobicContact CB-CG2 4.24Å; E248-T250 PolarHBondContact O-N 2.96Å
249D32.7Very low49.6Very low153 Ų153138 Ų13882%0.81869%0.686SS**  trans-69.967.1175.8-80.7-34.7000110.6V247 V251V247-D249 VanDerWaalsContact C-N 3.33Å; V247-D249 PolarHBondContact O-N 3.07Å; D249-V251 PolarHBondContact O-N 2.83Å
250T36.8Very low47.6Very low113 Ų113136.3 Ų136.369%0.69369%0.687SS**  trans-75.693.5179.651.30000111.5E248E248-T250 HydrophobicContact CB-CG2 4.24Å; E248-T250 PolarHBondContact O-N 2.96Å
251V37.7Very low44.9Very low115 Ų115140.5 Ų140.570%0.69771%0.711SS**  trans76.2118.8140.7-175.70000116.4D249D249-V251 PolarHBondContact O-N 2.83Å
252R34.3Very low42.3Very low244 Ų244145.2 Ų145.292%0.92174%0.744SS**  -152.6157.1102.8-96.6178.5-167.7-129.6-5.2111.3
253P47.1Very low40.1Very low93 Ų93148.1 Ų148.160%0.60476%0.763SS**  trans-128.2165.7-138.242.5-30.3000115.4
254H33.9Very low37.8Very low174 Ų174152.8 Ų152.881%0.80678%0.777SS**  trans-149.9116.5137.4-82.5-68.3000107
255L32.5Very low36Very low137 Ų137149.6 Ų149.672%0.71777%0.773SS**  57.6109.496-80.4164.5000111.5
256L31.5Very low34.9Very low150 Ų150145.3 Ų145.379%0.78577%0.766SS**  cis-154.3177.542.4-92.1158.2000114.5
257L31.7Very low34.5Very low152 Ų152149 Ų14980%0.79677%0.771SS**  trans-54.9147.5173.3-65.572.8000111.1
258S31Very low34.1Very low120 Ų120152.1 Ų152.184%0.83978%0.782SS**  -167.3163.266.550.60000115.7
259R27.8Very low33.7Very low239 Ų239147.1 Ų147.190%0.90278%0.776SS**  trans-97171.4164.7-99.7-177.4175.5-178.5-1109.4
260P44.5Very low34.1Very low104 Ų104145.8 Ų145.868%0.67578%0.775SS**  cis-131.2-172.7-21.932.2-11.7000111.8
261L27.5Very low34.1Very low164 Ų164146.3 Ų146.386%0.85978%0.781SS**  trans151.3124131.6-82157.1000113.2
262S32.7Very low34.2Very low101 Ų101146.9 Ų146.971%0.70679%0.787SS**  trans-88.9166.1143.557.10000107.5
263P40.8Very low34.2Very low103 Ų103138.6 Ų138.667%0.66978%0.777SS**  cis-146.2-173.132.544.6-24.2000117.5
264H29.4Very low33.4Very low174 Ų174142 Ų14281%0.80679%0.79SS**  trans25.1121.4152.7-56.6-60.1000120.5
265Q30.7Very low33.6Very low174 Ų174139.3 Ų139.381%0.81379%0.787SS**  178.6148.594.6-95.8-176.7-2.800115.2
266L29.3Very low33.5Very low137 Ų137143.4 Ų143.472%0.71779%0.793SS**  trans48.3118.5142.1-62.9165.7000122.8
267F33.3Very low33.4Very low198 Ų198141 Ų14187%0.86879%0.794SS**  18.9127.9129.1-78.2-93.3000120.5
268L30.5Very low33.6Very low181 Ų181142.4 Ų142.495%0.94880%0.797SS**  trans-154.4158.8135.3-106.2157.8000110
269G32.9Very low33.6Very low63 Ų63139.4 Ų139.465%0.64979%0.785SS**  trans-88176.7-162.700000117.2
270P40.1Very low33.8Very low125 Ų125135.7 Ų135.781%0.81278%0.783SS**  trans-84.7147.3-174.333.7-35.6000114.3
271P37Very low33.2Very low125 Ų125138.6 Ų138.681%0.81279%0.792SS**  trans-83.4154.9169.334.1-34.1000112.9
272P40.8Very low33.4Very low127 Ų127136.5 Ų136.583%0.82579%0.786SS**  trans-105.7144.8-16937.9-34.2000117
273G33.9Very low33.1Very low69 Ų69140.8 Ų140.871%0.71180%0.795SS**  trans77.3157.3163.300000116
274L29.9Very low32.8Very low166 Ų166142.2 Ų142.287%0.86980%0.802SS**  cis-163.8169.9-9.2-105.4132.1000105.8
275P38.5Very low33Very low116 Ų116143.3 Ų143.375%0.75380%0.804SS**  cis-126.2-168.70.542.8-26.8000114.5
276R29.2Very low33Very low224 Ų224139.9 Ų139.985%0.84580%0.799SS**  trans-67.5143.4-178.8-63.4165.9171152.3-5.5113.7
277A29.6Very low33.8Very low98 Ų98139 Ų13981%0.8180%0.802SS**  trans-116.5142.714400000108.3
278H36.1Very low34.4Very low182 Ų182133.3 Ų133.384%0.84378%0.784SS**  trans-84.6117.9177.4-78.6-33.9000111
279G31.8Very low35.3Very low57 Ų57129.1 Ų129.159%0.58877%0.767SS**  trans-142.2123.3162.600000108.2L281G279-L281 PolarHBondContact O-N 3.11Å
280N31.9Very low36.8Very low161 Ų161129.9 Ų129.986%0.86176%0.756SS**  trans-74.489.6178.6-73-6.7000109.4T282N280-T282 VanDerWaalsContact C-N 3.32Å; N280-T282 PolarHBondContact O-N 3.41Å; N280-T282 VanDerWaalsContact O-N 3.08Å
281L30.5Very low38.2Very low166 Ų166127.8 Ų127.887%0.86974%0.738SS**  trans-69.599.5153.4-78.689.4000107.2G279 E283G279-L281 PolarHBondContact O-N 3.11Å; L281-E283 PolarHBondContact O-N 3.04Å
282T31.8Very low40.2Very low119 Ų119123.9 Ų123.973%0.7371%0.713SS**  trans-51.6130.615346.50000108.3N280 T284N280-T282 VanDerWaalsContact C-N 3.32Å; N280-T282 PolarHBondContact O-N 3.41Å; N280-T282 VanDerWaalsContact O-N 3.08Å; T282-T284 PolarHBondContact O-N 2.86Å
283E27.3Very low42.3Very low192 Ų192117.9 Ų117.990%0.89767%0.674SS**  trans-57.4107.9174.9-64.5177.8124.800109.6L281 K285L281-E283 PolarHBondContact O-N 3.04Å; E283-K285 VanDerWaalsContact C-N 3.29Å; E283-K285 PolarHBondContact O-N 2.74Å
284T34Very low44.6Very low133 Ų133121 Ų12182%0.81668%0.679SS**  trans-65.598.9159.448.60000106.4T282 S286T282-T284 PolarHBondContact O-N 2.86Å; T284-S286 PolarHBondContact O-N 2.95Å
285K33Very low47.1Very low196 Ų196115.1 Ų115.185%0.85266%0.655SS**  trans-40.1127.4166.1-95.5-175.9170.9-178.30108.1E283E283-K285 VanDerWaalsContact C-N 3.29Å; E283-K285 PolarHBondContact O-N 2.74Å
286S31.9Very low49.2Very low102 Ų102110.3 Ų110.371%0.71362%0.624SS**PPolyproline II helixtrans-49.9140.3174.8-53.30000109.5T284 V288T284-S286 PolarHBondContact O-N 2.95Å; S286-V288 PolarHBondContact O-N 3.32Å; S286-V288 VanDerWaalsContact O-N 3.14Å
287P44.9Very low51.5Low118 Ų118101.8 Ų101.877%0.76660%0.597SS**PPolyproline II helixtrans-55.2125.9179.223.6-33.3000108.9
288V46.4Very low53.9Low80 Ų8098.6 Ų98.649%0.48557%0.568SS.*PPolyproline II helixtrans-57.1132.4175.9179.30000107.4S286 L290 Y327S286-V288 PolarHBondContact O-N 3.32Å; S286-V288 VanDerWaalsContact O-N 3.14Å; V288-L290 WeakPolarHBondContact O-CD1 3.5Å; V288-L290 PolarHBondContact O-N 3.42Å; V288-Y327 HydrophobicContact CG1-CD1 4.12Å; V288-Y327 HydrophobicContact CG1-CE1 4.28Å; V288-Y327 HydrophobicContact CG1-CG 4.41Å
289P50.5Low55.4Low92 Ų9291.2 Ų91.260%0.59754%0.535SS*.PPolyproline II helixtrans-53.8116.3174.9-2735.8000110.3D291P289-D291 PolarHBondContact O-N 2.92Å
290L63.7Low57Low80 Ų8092.9 Ų92.942%0.41953%0.53SS..  trans-86.673.4-179.6-76.8128.7000108.9V288 C292 L300 L307V288-L290 WeakPolarHBondContact O-CD1 3.5Å; V288-L290 PolarHBondContact O-N 3.42Å; L290-C292 PolarHBondContact O-N 3.11Å; L290-L300 HydrophobicContact CB-CD1 4.08Å; L290-L300 HydrophobicContact CD1-CD1 3.87Å; L290-L300 HydrophobicContact CD1-CD2 3.68Å; L290-L300 HydrophobicContact CD1-CG 4.3Å; L290-L300 HydrophobicContact CD2-CD1 4.15Å; L290-L300 HydrophobicContact CD2-CD2 3.73Å; L290-L300 HydrophobicContact CD2-CG 4.04Å; L290-L300 HydrophobicContact CG-CD1 4.22Å; L290-L300 HydrophobicContact CG-CD2 4.27Å; L290-L307 HydrophobicContact CD2-CB 4.21Å; L290-L307 HydrophobicContact CD2-CD1 4.15Å; L290-L307 HydrophobicContact CD2-CD2 4.39Å; L290-L307 HydrophobicContact CD2-CG 4.49Å
291D69.6Low58Low80 Ų8087.4 Ų87.443%0.42850%0.499SS..  trans-63.2113.5-179.6-80.9-20000110.8P289 P324 P326P289-D291 PolarHBondContact O-N 2.92Å; D291-P324 HydrophobicContact CB-CB 3.79Å; D291-P324 HydrophobicContact CB-CG 3.62Å; D291-P326 WeakPolarHBondContact O-CA 3.5Å
292C79.4Confident58.9Low43 Ų4387.3 Ų87.329%0.29150%0.498SS..  trans-104.6133.9177.1-178.70000110.4L290 T294 C298 P324L290-C292 PolarHBondContact O-N 3.11Å; C292-T294 PolarHBondContact O-N 2.99Å; C292-C298 VanDerWaalsContact CA-SG 3.51Å; C292-C298 HydrophobicContact CB-CB 3.68Å; C292-C298 WeakPolarHBondContact CB-SG 3.44Å; C292-C298 WeakPolarHBondContact SG-CB 3.21Å; C292-C298 PolarHBondContact SG-N 3.44Å; C292-C298 VanDerWaalsContact SG-N 3.42Å; C292-C298 CovalentContact SG-SG 2.03Å; C292-C298 PolarHBondContact SG-SG 3.46Å; C292-P324 WeakPolarHBondContact O-CD 3.12Å; C292-P324 WeakPolarHBondContact O-CG 3.42Å
293P85.1Confident59.5Low1 Ų186.6 Ų86.61%0.00650%0.497CS..  trans-59.2136.3175.4-21.931000112.4A295 C296 L322 K323 P324 P326P293-A295 PolarHBondContact O-N 3.25Å; P293-A295 VanDerWaalsContact O-N 3.09Å; P293-C296 HydrophobicContact CB-CB 4.15Å; P293-C296 HydrophobicContact CG-CB 4.46Å; P293-C296 PolarHBondContact O-N 3.04Å; P293-L322 HydrophobicContact CB-CB 3.96Å; P293-L322 HydrophobicContact CB-CD2 3.95Å; P293-L322 HydrophobicContact CB-CG 4.5Å; P293-L322 HydrophobicContact CG-CB 3.85Å; P293-L322 HydrophobicContact CG-CD1 4.49Å; P293-L322 HydrophobicContact CG-CD2 4.29Å; P293-L322 HydrophobicContact CG-CG 4.45Å; P293-K323 WeakPolarHBondContact CA-O 3.34Å; P293-P324 WeakPolarHBondContact CA-O 3.23Å; P293-P324 WeakPolarHBondContact CG-O 3.37Å; P293-P326 HydrophobicContact CG-CG 4.44Å
294T82.2Confident60.6Low134 Ų13482.6 Ų82.682%0.82248%0.479SS*.THydrogen-bonded Turntrans-64.9-17.3-177.256.70000114.7C292 K323C292-T294 PolarHBondContact O-N 2.99Å; T294-K323 PolarHBondContact N-O 3.07Å; T294-K323 PolarHBondContact OG1-O 3.48Å
295A81.5Confident61.7Low43 Ų4383.6 Ų83.636%0.35548%0.478SS..THydrogen-bonded Turntrans-81.7-14.7174.400000113.8P293 R314P293-A295 PolarHBondContact O-N 3.25Å; P293-A295 VanDerWaalsContact O-N 3.09Å; A295-R314 WeakPolarHBondContact O-CG 3.46Å
296C83.3Confident63.3Low15 Ų1574.5 Ų74.510%0.10144%0.439CS..SBendtrans-121.5164.1-164-56.50000112.4P293 V309 N310 C311 L322P293-C296 HydrophobicContact CB-CB 4.15Å; P293-C296 HydrophobicContact CG-CB 4.46Å; P293-C296 PolarHBondContact O-N 3.04Å; C296-V309 HydrophobicContact CB-CG1 4.16Å; C296-N310 CarbonylContact C-O 3.26Å; C296-N310 VanDerWaalsContact CA-O 3.29Å; C296-N310 WeakPolarHBondContact CA-O 3.18Å; C296-N310 WeakPolarHBondContact CB-O 3.42Å; C296-C311 HydrophobicContact CB-CB 4.13Å; C296-C311 WeakPolarHBondContact CB-SG 3.33Å; C296-C311 WeakPolarHBondContact SG-CB 3.33Å; C296-C311 CovalentContact SG-SG 2.03Å; C296-C311 PolarHBondContact SG-SG 2.89Å; C296-L322 WeakPolarHBondContact SG-CD2 3.49Å
297T77.6Confident65.6Low46 Ų4669.8 Ų69.828%0.28241%0.406SS..EExtended strand (participates in β ladder)trans-103.8131.4167.550.60000109N310T297-N310 PolarHBondContact N-O 3.07Å; T297-N310 PolarHBondContact O-N 2.98Å
298C79.3Confident67.3Low31 Ų3164.3 Ų64.321%0.20937%0.37CS..EExtended strand (participates in β ladder)trans-125.3140.3178.9-42.40000111.8C292 L307 N308 V309C292-C298 VanDerWaalsContact CA-SG 3.51Å; C292-C298 HydrophobicContact CB-CB 3.68Å; C292-C298 WeakPolarHBondContact CB-SG 3.44Å; C292-C298 WeakPolarHBondContact SG-CB 3.21Å; C292-C298 PolarHBondContact SG-N 3.44Å; C292-C298 VanDerWaalsContact SG-N 3.42Å; C292-C298 CovalentContact SG-SG 2.03Å; C292-C298 PolarHBondContact SG-SG 3.46Å; C298-L307 HydrophobicContact CB-CD1 3.76Å; C298-L307 HydrophobicContact CB-CG 4.44Å; C298-N308 CarbonylContact C-O 3.57Å; C298-N308 VanDerWaalsContact CA-O 3.22Å; C298-N308 WeakPolarHBondContact CA-O 3.23Å; C298-V309 HydrophobicContact CB-CG2 4.39Å
299N68.8Low69.1Low26 Ų2660.5 Ų60.514%0.13935%0.347CS..EExtended strand (participates in β ladder)trans-125.6146-176.8-50.9-70.1000110.6R231 N308R231-N299 VanDerWaalsContact CD-OD1 3.24Å; R231-N299 WeakPolarHBondContact CD-OD1 3.37Å; R231-N299 PolarHBondContact NE-OD1 2.99Å; N299-N308 PolarHBondContact N-O 3.18Å; N299-N308 PolarHBondContact O-N 3.29Å
300L64.7Low70.5Confident93 Ų9356.3 Ų56.349%0.48732%0.32SS..EExtended strand (participates in β ladder)trans-102.5116.1179.5-98.6130.7000110.9L290 I302 L307L290-L300 HydrophobicContact CB-CD1 4.08Å; L290-L300 HydrophobicContact CD1-CD1 3.87Å; L290-L300 HydrophobicContact CD1-CD2 3.68Å; L290-L300 HydrophobicContact CD1-CG 4.3Å; L290-L300 HydrophobicContact CD2-CD1 4.15Å; L290-L300 HydrophobicContact CD2-CD2 3.73Å; L290-L300 HydrophobicContact CD2-CG 4.04Å; L290-L300 HydrophobicContact CG-CD1 4.22Å; L290-L300 HydrophobicContact CG-CD2 4.27Å; L300-I302 PolarHBondContact O-N 2.87Å; L300-I302 VanDerWaalsContact O-N 3.13Å; L300-L307 HydrophobicContact CG-CD1 4.49Å
301Q52.3Low71.5Confident45 Ų4552.5 Ų52.521%0.2130%0.3CS..EExtended strand (participates in β ladder)trans-8290.9176.6-170.9167.9-20.600109.7S303 E304 I305 G306 N308Q301-S303 PolarHBondContact O-N 3.43Å; Q301-S303 VanDerWaalsContact O-N 3.07Å; Q301-E304 HydrophobicContact CG-CB 4.41Å; Q301-E304 PolarHBondContact O-N 3.07Å; Q301-I305 PolarHBondContact O-N 3.34Å; Q301-G306 PolarHBondContact N-O 3.48Å; Q301-N308 PolarHBondContact OE1-ND2 2.89Å; Q301-N308 VanDerWaalsContact OE1-ND2 3.13Å
302I48.9Very low72Confident164 Ų16450.6 Ų50.684%0.84129%0.288SS*.THydrogen-bonded Turntrans-56.3-26.3-173.8-60.9173.7000112.8L300L300-I302 PolarHBondContact O-N 2.87Å; L300-I302 VanDerWaalsContact O-N 3.13Å
303S44.4Very low72.1Confident104 Ų10455.9 Ų55.973%0.72731%0.309SS*.THydrogen-bonded Turntrans-76.4-22.5177.644.20000115.1Q301Q301-S303 PolarHBondContact O-N 3.43Å; Q301-S303 VanDerWaalsContact O-N 3.07Å
304E50.8Low72Confident108 Ų10859.8 Ų59.851%0.50532%0.323SS..THydrogen-bonded Turntrans-133.6-3-172.1-68-162.3-173.900115.5Q301 G306 K330Q301-E304 HydrophobicContact CG-CB 4.41Å; Q301-E304 PolarHBondContact O-N 3.07Å; E304-G306 PolarHBondContact O-N 3.3Å; E304-K330 WeakPolarHBondContact OE2-CE 3.4Å; E304-K330 IonicContact OE2-NZ 2.78Å; E304-K330 PolarHBondContact OE2-NZ 2.96Å
305I58.1Low72.3Confident155 Ų15559.9 Ų59.980%0.79531%0.312SS*.THydrogen-bonded Turntrans60.733.9-174.5-34.3178.8000111.6Q301Q301-I305 PolarHBondContact O-N 3.34Å
306G66.8Low72.7Confident4 Ų458.6 Ų58.64%0.04130%0.299CS..EExtended strand (participates in β ladder)trans-94.2139.6173.800000112.4Q301 E304Q301-G306 PolarHBondContact N-O 3.48Å; E304-G306 PolarHBondContact O-N 3.3Å
307L78.9Confident73.2Confident4 Ų464.3 Ų64.32%0.02133%0.325CS..EExtended strand (participates in β ladder)trans-101.4113.9169179.768.2000109L290 C298 L300 V309 P326 P329 K330L290-L307 HydrophobicContact CD2-CB 4.21Å; L290-L307 HydrophobicContact CD2-CD1 4.15Å; L290-L307 HydrophobicContact CD2-CD2 4.39Å; L290-L307 HydrophobicContact CD2-CG 4.49Å; C298-L307 HydrophobicContact CB-CD1 3.76Å; C298-L307 HydrophobicContact CB-CG 4.44Å; L300-L307 HydrophobicContact CG-CD1 4.49Å; L307-V309 HydrophobicContact CD2-CG2 4.26Å; L307-V309 HydrophobicContact CG-CG2 4.02Å; L307-P326 HydrophobicContact CD2-CB 3.96Å; L307-P329 CarbonylContact O-C 3.59Å; L307-P329 WeakPolarHBondContact O-CA 3.5Å; L307-P329 VanDerWaalsContact O-CB 3.32Å; L307-P329 WeakPolarHBondContact O-CB 3.37Å; L307-K330 PolarHBondContact O-N 2.82Å
308N81.1Confident73.9Confident3 Ų362.9 Ų62.92%0.01632%0.316CS..EExtended strand (participates in β ladder)trans-99.4125.1179.4-62.2-18.1000108.9E235 C298 N299 Q301 K330 K331E235-N308 PolarHBondContact OE1-ND2 2.94Å; E235-N308 PolarHBondContact OE2-ND2 3.04Å; C298-N308 CarbonylContact C-O 3.57Å; C298-N308 VanDerWaalsContact CA-O 3.22Å; C298-N308 WeakPolarHBondContact CA-O 3.23Å; N299-N308 PolarHBondContact N-O 3.18Å; N299-N308 PolarHBondContact O-N 3.29Å; Q301-N308 PolarHBondContact OE1-ND2 2.89Å; Q301-N308 VanDerWaalsContact OE1-ND2 3.13Å; N308-K330 WeakPolarHBondContact OD1-CB 3.25Å; N308-K331 HydrophobicContact CB-CB 4.14Å; N308-K331 PolarHBondContact OD1-N 3.48Å; N308-K331 VanDerWaalsContact OD1-N 3.14Å
309V84.1Confident74.4Confident0 Ų061.7 Ų61.70%031%0.308CS..EExtended strand (participates in β ladder)trans-119.9116.5-168.5-177.50000109.7C296 C298 L307 P326 P329 K331 M332 Y333C296-V309 HydrophobicContact CB-CG1 4.16Å; C298-V309 HydrophobicContact CB-CG2 4.39Å; L307-V309 HydrophobicContact CD2-CG2 4.26Å; L307-V309 HydrophobicContact CG-CG2 4.02Å; V309-P326 HydrophobicContact CG2-CB 3.84Å; V309-P326 HydrophobicContact CG2-CG 4.29Å; V309-P329 HydrophobicContact CG2-CB 4Å; V309-K331 PolarHBondContact N-O 3.07Å; V309-M332 HydrophobicContact CB-CG 4.29Å; V309-M332 WeakPolarHBondContact O-CA 3.4Å; V309-Y333 PolarHBondContact O-N 3.12Å
310N81.1Confident75.3Confident3 Ų362.9 Ų62.92%0.01632%0.318CS..EExtended strand (participates in β ladder)trans-109.2123.4175.5-170.2-46000111.4G230 C296 T297 Q312 Y333G230-N310 WeakPolarHBondContact CA-ND2 3.06Å; G230-N310 WeakPolarHBondContact O-CB 3.39Å; G230-N310 PolarHBondContact O-ND2 3.14Å; C296-N310 CarbonylContact C-O 3.26Å; C296-N310 VanDerWaalsContact CA-O 3.29Å; C296-N310 WeakPolarHBondContact CA-O 3.18Å; C296-N310 WeakPolarHBondContact CB-O 3.42Å; T297-N310 PolarHBondContact N-O 3.07Å; T297-N310 PolarHBondContact O-N 2.98Å; N310-Q312 VanDerWaalsContact ND2-CD 3.34Å; N310-Q312 PolarHBondContact ND2-OE1 2.91Å; N310-Q312 WeakPolarHBondContact OD1-CB 3.47Å; N310-Q312 VanDerWaalsContact OD1-CG 3.27Å; N310-Q312 WeakPolarHBondContact OD1-CG 3.01Å; N310-Q312 PolarHBondContact OD1-N 3.31Å; N310-Q312 PolarHBondContact OD1-OE1 3.34Å; N310-Y333 HydrophobicContact CB-CD2 4.48Å
311C84.3Confident76.3Confident0 Ų063 Ų630%032%0.319CS..  trans-128.225.4-178.6-58.40000111.4C296 R314 I316 Y333 L334 N337C296-C311 HydrophobicContact CB-CB 4.13Å; C296-C311 WeakPolarHBondContact CB-SG 3.33Å; C296-C311 WeakPolarHBondContact SG-CB 3.33Å; C296-C311 CovalentContact SG-SG 2.03Å; C296-C311 PolarHBondContact SG-SG 2.89Å; C311-R314 WeakPolarHBondContact O-CG 3.29Å; C311-I316 HydrophobicContact CB-CD1 3.65Å; C311-Y333 CarbonylContact C-O 3.42Å; C311-Y333 WeakPolarHBondContact CA-O 3.49Å; C311-Y333 WeakPolarHBondContact CB-O 3.29Å; C311-Y333 PolarHBondContact N-O 3.01Å; C311-L334 HydrophobicContact CB-CD2 3.55Å; C311-L334 HydrophobicContact CB-CG 4.31Å; C311-N337 PolarHBondContact O-ND2 2.94Å
312Q79.1Confident77.9Confident40 Ų4061.2 Ų61.219%0.18731%0.311CS..THydrogen-bonded Turntrans-65.1138.1-173.5-68.7174.9-47.400113N310 R314 T335N310-Q312 VanDerWaalsContact ND2-CD 3.34Å; N310-Q312 PolarHBondContact ND2-OE1 2.91Å; N310-Q312 WeakPolarHBondContact OD1-CB 3.47Å; N310-Q312 VanDerWaalsContact OD1-CG 3.27Å; N310-Q312 WeakPolarHBondContact OD1-CG 3.01Å; N310-Q312 PolarHBondContact OD1-N 3.31Å; N310-Q312 PolarHBondContact OD1-OE1 3.34Å; Q312-R314 WeakPolarHBondContact O-CD 3.29Å; Q312-R314 VanDerWaalsContact O-CG 3.3Å; Q312-R314 WeakPolarHBondContact O-CG 3.31Å; Q312-R314 PolarHBondContact O-N 3.06Å; Q312-R314 VanDerWaalsContact O-N 3.07Å; Q312-R314 PolarHBondContact O-NE 3.02Å; Q312-T335 WeakPolarHBondContact CA-O 3.27Å; Q312-T335 HydrophobicContact CG-CG2 3.69Å; Q312-T335 VanDerWaalsContact NE2-CG2 3.26Å
313E81.1Confident79.5Confident154 Ų15460 Ų6072%0.7230%0.3SS*.THydrogen-bonded Turntrans55.418.8178.6-60.1-164.8-17700116.4K315 T335E313-K315 PolarHBondContact O-N 2.88Å; E313-T335 PolarHBondContact N-O 3.02Å; E313-T335 VanDerWaalsContact N-O 3.08Å
314R83.4Confident81.5Confident84 Ų8457.6 Ų57.632%0.31728%0.281SS..SBendtrans-81.19.2-176.3-54.9-53.3165.2123.1-15.4115.1H229 A295 C311 Q312 I316 N337H229-R314 PolarHBondContact CD2-NH2 3.49Å; H229-R314 PolarHBondContact NE2-NH2 3.28Å; H229-R314 VanDerWaalsContact NE2-NH2 3.19Å; A295-R314 WeakPolarHBondContact O-CG 3.46Å; C311-R314 WeakPolarHBondContact O-CG 3.29Å; Q312-R314 WeakPolarHBondContact O-CD 3.29Å; Q312-R314 VanDerWaalsContact O-CG 3.3Å; Q312-R314 WeakPolarHBondContact O-CG 3.31Å; Q312-R314 PolarHBondContact O-N 3.06Å; Q312-R314 VanDerWaalsContact O-N 3.07Å; Q312-R314 PolarHBondContact O-NE 3.02Å; R314-I316 HydrophobicContact CB-CD1 3.88Å; R314-I316 HydrophobicContact CB-CG1 4Å; R314-I316 PolarHBondContact O-N 3.48Å; R314-N337 PolarHBondContact N-OD1 3.1Å; R314-N337 VanDerWaalsContact N-OD1 3.08Å
315K88.9Confident83Confident136 Ų13656.5 Ų56.559%0.59128%0.275SS*.  trans56.331.7-179.3-54.9-179.3-179.8176.90113.2E313 E317 N337 Y338E313-K315 PolarHBondContact O-N 2.88Å; K315-E317 PolarHBondContact O-N 3.08Å; K315-N337 PolarHBondContact N-OD1 2.92Å; K315-Y338 HydrophobicContact CB-CD2 3.98Å; K315-Y338 HydrophobicContact CB-CE2 3.69Å; K315-Y338 HydrophobicContact CD-CE2 4.13Å; K315-Y338 HydrophobicContact CG-CD2 4.46Å; K315-Y338 HydrophobicContact CG-CE2 3.69Å
316I90.6Very high84.2Confident15 Ų1549.6 Ų49.68%0.07724%0.24CC..  trans-67.7129.3179.9-66.6158.8000109.4C311 R314 S318 L322 L334 N337 Y338 I339C311-I316 HydrophobicContact CB-CD1 3.65Å; R314-I316 HydrophobicContact CB-CD1 3.88Å; R314-I316 HydrophobicContact CB-CG1 4Å; R314-I316 PolarHBondContact O-N 3.48Å; I316-S318 VanDerWaalsContact CG2-O 3.3Å; I316-S318 WeakPolarHBondContact CG2-O 3.46Å; I316-L322 HydrophobicContact CD1-CD2 3.94Å; I316-L334 HydrophobicContact CD1-CD2 4.08Å; I316-N337 HydrophobicContact CB-CB 4.25Å; I316-N337 PolarHBondContact N-OD1 2.93Å; I316-Y338 CarbonylContact O-C 3.55Å; I316-Y338 WeakPolarHBondContact O-CA 3.38Å; I316-Y338 PolarHBondContact O-N 2.93Å; I316-I339 HydrophobicContact CG2-CG1 4.3Å; I316-I339 PolarHBondContact O-N 2.9Å
317E92.3Very high84.8Confident136 Ų13656.1 Ų56.164%0.63626%0.264SS*.SBendtrans-96.7-23.9177.6-62.1-174.3-179.800112.4K315 P340K315-E317 PolarHBondContact O-N 3.08Å; E317-P340 WeakPolarHBondContact O-CD 3.3Å
318S92.3Very high84.9Confident15 Ų1558.2 Ų58.211%0.10528%0.276CS..  trans-146.5138.4173.6-160.50000112.8I316 S320 D321 R343I316-S318 VanDerWaalsContact CG2-O 3.3Å; I316-S318 WeakPolarHBondContact CG2-O 3.46Å; S318-S320 PolarHBondContact O-N 2.82Å; S318-D321 VanDerWaalsContact CB-OD2 3.29Å; S318-D321 WeakPolarHBondContact CB-OD2 3.28Å; S318-D321 PolarHBondContact N-OD2 2.84Å; S318-D321 WeakPolarHBondContact O-CB 3.41Å; S318-D321 PolarHBondContact O-N 2.84Å; S318-R343 PolarHBondContact OG-NH1 2.99Å
319I91.1Very high85.2Confident6 Ų658.1 Ų58.13%0.03128%0.275CS..G310 helixtrans-64.9-30.7176.9-50.4172.3000110.6D321 L322 L334 I339 D346 F347 L358I319-D321 PolarHBondContact O-N 3.2Å; I319-L322 HydrophobicContact CG2-CD1 3.93Å; I319-L322 VanDerWaalsContact O-CB 3.29Å; I319-L322 WeakPolarHBondContact O-CB 3.34Å; I319-L322 VanDerWaalsContact O-CG 3.25Å; I319-L322 WeakPolarHBondContact O-CG 3.27Å; I319-L322 PolarHBondContact O-N 2.9Å; I319-L334 HydrophobicContact CD1-CD1 4.12Å; I319-L334 HydrophobicContact CG1-CD1 4.11Å; I319-L334 HydrophobicContact CG2-CD1 4.19Å; I319-I339 HydrophobicContact CD1-CD1 4.31Å; I319-I339 HydrophobicContact CG1-CD1 3.75Å; I319-I339 HydrophobicContact CG1-CG1 4.4Å; I319-I339 HydrophobicContact CG1-CG2 4.26Å; I319-D346 HydrophobicContact CB-CB 3.77Å; I319-D346 HydrophobicContact CD1-CB 4.24Å; I319-D346 HydrophobicContact CG2-CB 3.85Å; I319-F347 HydrophobicContact CD1-CE2 4.35Å; I319-F347 HydrophobicContact CD1-CZ 3.79Å; I319-L358 HydrophobicContact CD1-CD2 3.88Å
320S87.4Confident85.2Confident51 Ų5160.4 Ų60.436%0.35729%0.285SS..G310 helixtrans-64-11.1171.4-73.10000114.8S318 L322 D346S318-S320 PolarHBondContact O-N 2.82Å; S320-L322 VanDerWaalsContact C-N 3.33Å; S320-D346 WeakPolarHBondContact CB-OD1 3.31Å; S320-D346 PolarHBondContact N-OD1 3.11Å; S320-D346 VanDerWaalsContact N-OD1 3.12Å; S320-D346 PolarHBondContact OG-OD1 3.25Å
321D84.9Confident85.4Confident95 Ų9561.5 Ų61.551%0.50829%0.29SS..G310 helixtrans-82.9-11.8175.4-60.6-33.3000112.9S318 I319 K323S318-D321 VanDerWaalsContact CB-OD2 3.29Å; S318-D321 WeakPolarHBondContact CB-OD2 3.28Å; S318-D321 PolarHBondContact N-OD2 2.84Å; S318-D321 WeakPolarHBondContact O-CB 3.41Å; S318-D321 PolarHBondContact O-N 2.84Å; I319-D321 PolarHBondContact O-N 3.2Å; D321-K323 PolarHBondContact O-N 3.26Å
322L85.9Confident85.5Confident8 Ų861.9 Ų61.94%0.04229%0.292CS..  trans-64.2100.9176-64.9-177.6000110.8P293 C296 I316 I319 S320 P324 K325 M332 L334P293-L322 HydrophobicContact CB-CB 3.96Å; P293-L322 HydrophobicContact CB-CD2 3.95Å; P293-L322 HydrophobicContact CB-CG 4.5Å; P293-L322 HydrophobicContact CG-CB 3.85Å; P293-L322 HydrophobicContact CG-CD1 4.49Å; P293-L322 HydrophobicContact CG-CD2 4.29Å; P293-L322 HydrophobicContact CG-CG 4.45Å; C296-L322 WeakPolarHBondContact SG-CD2 3.49Å; I316-L322 HydrophobicContact CD1-CD2 3.94Å; I319-L322 HydrophobicContact CG2-CD1 3.93Å; I319-L322 VanDerWaalsContact O-CB 3.29Å; I319-L322 WeakPolarHBondContact O-CB 3.34Å; I319-L322 VanDerWaalsContact O-CG 3.25Å; I319-L322 WeakPolarHBondContact O-CG 3.27Å; I319-L322 PolarHBondContact O-N 2.9Å; S320-L322 VanDerWaalsContact C-N 3.33Å; L322-P324 CarbonylContact O-C 3.23Å; L322-K325 WeakPolarHBondContact O-CA 3.37Å; L322-K325 PolarHBondContact O-N 3.28Å; L322-M332 HydrophobicContact CD1-CE 4.16Å; L322-L334 HydrophobicContact CD1-CD2 4.38Å
323K84.1Confident85.8Confident140 Ų14060.4 Ų60.461%0.60929%0.285SS*.SBendtrans-123.7129.8-176-71.8170.4-172.6164.70111.5P293 T294 D321P293-K323 WeakPolarHBondContact CA-O 3.34Å; T294-K323 PolarHBondContact N-O 3.07Å; T294-K323 PolarHBondContact OG1-O 3.48Å; D321-K323 PolarHBondContact O-N 3.26Å
324P84.8Confident86.1Confident52 Ų5253.1 Ų53.134%0.33825%0.25SS..SBendcis-61.1157.1-14.431.5-38.9000111.9D291 C292 P293 L322D291-P324 HydrophobicContact CB-CB 3.79Å; D291-P324 HydrophobicContact CB-CG 3.62Å; C292-P324 WeakPolarHBondContact O-CD 3.12Å; C292-P324 WeakPolarHBondContact O-CG 3.42Å; P293-P324 WeakPolarHBondContact CA-O 3.23Å; P293-P324 WeakPolarHBondContact CG-O 3.37Å; L322-P324 CarbonylContact O-C 3.23Å
325K83.4Confident86.1Confident86 Ų8650 Ų5037%0.37424%0.241SC..PPolyproline II helixtrans-73134.3178.4-171.8-177.4-176.7-177.60109.1L322 Y327 S345 D346 V348L322-K325 WeakPolarHBondContact O-CA 3.37Å; L322-K325 PolarHBondContact O-N 3.28Å; K325-Y327 PolarHBondContact O-N 2.91Å; K325-S345 PolarHBondContact NZ-O 2.82Å; K325-D346 WeakPolarHBondContact CE-O 3.3Å; K325-D346 VanDerWaalsContact NZ-C 3.35Å; K325-D346 PolarHBondContact NZ-O 3.16Å; K325-V348 PolarHBondContact NZ-O 2.59Å
326P82.2Confident85.7Confident9 Ų944.7 Ų44.76%0.05823%0.225CC..PPolyproline II helixtrans-66.9128.6-178.828-34.1000111D291 P293 L307 V309 N328 P329 M332D291-P326 WeakPolarHBondContact O-CA 3.5Å; P293-P326 HydrophobicContact CG-CG 4.44Å; L307-P326 HydrophobicContact CD2-CB 3.96Å; V309-P326 HydrophobicContact CG2-CB 3.84Å; V309-P326 HydrophobicContact CG2-CG 4.29Å; P326-N328 PolarHBondContact O-N 3.08Å; P326-P329 HydrophobicContact CB-CB 4.45Å; P326-P329 HydrophobicContact CB-CG 4.33Å; P326-P329 HydrophobicContact CG-CG 4.2Å; P326-M332 HydrophobicContact CG-CE 4.4Å
327Y80.2Confident85.6Confident141 Ų14144.1 Ų44.155%0.55322%0.222SC*.SBendtrans-77.4116176.7-177.3-91.2000110.5V288 K325V288-Y327 HydrophobicContact CG1-CD1 4.12Å; V288-Y327 HydrophobicContact CG1-CE1 4.28Å; V288-Y327 HydrophobicContact CG1-CG 4.41Å; K325-Y327 PolarHBondContact O-N 2.91Å
328N81.8Confident85.7Confident48 Ų4842 Ų4226%0.25721%0.208SC..SBendtrans43.659.6175.3-163.972.7000115.3P326 D349 T351 G352P326-N328 PolarHBondContact O-N 3.08Å; N328-D349 WeakPolarHBondContact CA-O 3.49Å; N328-D349 PolarHBondContact OD1-O 3.45Å; N328-T351 PolarHBondContact OD1-N 3.47Å; N328-T351 VanDerWaalsContact OD1-N 3.12Å; N328-T351 PolarHBondContact OD1-OG1 3.37Å; N328-G352 PolarHBondContact OD1-N 2.87Å
329P85.6Confident85.9Confident1 Ų141.2 Ų41.21%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-64.9154.4179.127.8-35.4000113.4L307 V309 P326 M332 A350 G352 L353L307-P329 CarbonylContact O-C 3.59Å; L307-P329 WeakPolarHBondContact O-CA 3.5Å; L307-P329 VanDerWaalsContact O-CB 3.32Å; L307-P329 WeakPolarHBondContact O-CB 3.37Å; V309-P329 HydrophobicContact CG2-CB 4Å; P326-P329 HydrophobicContact CB-CB 4.45Å; P326-P329 HydrophobicContact CB-CG 4.33Å; P326-P329 HydrophobicContact CG-CG 4.2Å; P329-M332 HydrophobicContact CB-CG 3.94Å; P329-M332 HydrophobicContact CB-SD 4.33Å; P329-M332 HydrophobicContact CG-CG 3.89Å; P329-M332 HydrophobicContact CG-SD 3.61Å; P329-A350 HydrophobicContact CG-CB 4.25Å; P329-G352 CarbonylContact O-C 3.06Å; P329-G352 VanDerWaalsContact O-C 3.29Å; P329-L353 HydrophobicContact CB-CD1 4.34Å; P329-L353 HydrophobicContact CG-CD1 4.29Å; P329-L353 VanDerWaalsContact O-CA 3.23Å; P329-L353 WeakPolarHBondContact O-CA 3.49Å; P329-L353 PolarHBondContact O-N 2.81Å; P329-L353 VanDerWaalsContact O-N 3.12Å
330K84.8Confident86.1Confident49 Ų4943.5 Ų43.521%0.21322%0.218CC..EExtended strand (participates in β ladder)trans-101.3-41-179.5173.486.7-170.3-1540112.2E304 L307 N308 D354 L355E304-K330 WeakPolarHBondContact OE2-CE 3.4Å; E304-K330 IonicContact OE2-NZ 2.78Å; E304-K330 PolarHBondContact OE2-NZ 2.96Å; L307-K330 PolarHBondContact O-N 2.82Å; N308-K330 WeakPolarHBondContact OD1-CB 3.25Å; K330-D354 HydrophobicContact CD-CB 4.26Å; K330-D354 PolarHBondContact O-N 2.92Å; K330-L355 PolarHBondContact O-N 3.41Å
331K84.8Confident86.5Confident26 Ų2642.4 Ų42.411%0.11321%0.209CC..EExtended strand (participates in β ladder)trans-124.3143.1166.2-56.7-166-169.7-1800110.6E219 D232 E235 N308 V309 Y333 L355E219-K331 IonicContact OE1-NZ 3.72Å; E219-K331 PolarHBondContact OE1-NZ 3.46Å; D232-K331 IonicContact OD2-NZ 3.43Å; D232-K331 PolarHBondContact OD2-NZ 3.08Å; E235-K331 WeakPolarHBondContact OE1-CE 3.49Å; E235-K331 IonicContact OE1-NZ 3.73Å; E235-K331 PolarHBondContact OE1-NZ 3.06Å; E235-K331 VanDerWaalsContact OE1-NZ 3.07Å; N308-K331 HydrophobicContact CB-CB 4.14Å; N308-K331 PolarHBondContact OD1-N 3.48Å; N308-K331 VanDerWaalsContact OD1-N 3.14Å; V309-K331 PolarHBondContact N-O 3.07Å; K331-Y333 HydrophobicContact CB-CE2 3.86Å; K331-Y333 HydrophobicContact CD-CE2 3.85Å; K331-Y333 WeakPolarHBondContact CD-OH 3.23Å; K331-Y333 PolarHBondContact NZ-OH 3.44Å; K331-Y333 VanDerWaalsContact NZ-OH 3.14Å; K331-L355 WeakPolarHBondContact CA-O 3.22Å; K331-L355 HydrophobicContact CB-CB 4.44Å; K331-L355 HydrophobicContact CG-CB 4.22Å
332M87.5Confident87Confident7 Ų737.9 Ų37.93%0.03419%0.185CC..EExtended strand (participates in β ladder)trans-132.9119.5171.4-75.2-173.275.500111.9V309 L322 P326 P329 L334 F347 L353 L355 L356 H357V309-M332 HydrophobicContact CB-CG 4.29Å; V309-M332 WeakPolarHBondContact O-CA 3.4Å; L322-M332 HydrophobicContact CD1-CE 4.16Å; P326-M332 HydrophobicContact CG-CE 4.4Å; P329-M332 HydrophobicContact CB-CG 3.94Å; P329-M332 HydrophobicContact CB-SD 4.33Å; P329-M332 HydrophobicContact CG-CG 3.89Å; P329-M332 HydrophobicContact CG-SD 3.61Å; M332-L334 HydrophobicContact CE-CD1 4.02Å; M332-F347 HydrophobicContact SD-CE1 4.37Å; M332-L353 HydrophobicContact CB-CD1 3.96Å; M332-L353 HydrophobicContact CG-CD1 3.65Å; M332-L353 HydrophobicContact SD-CD1 4.27Å; M332-L353 HydrophobicContact SD-CD2 4.35Å; M332-L355 PolarHBondContact N-O 3.47Å; M332-L356 HydrophobicContact CB-CD1 3.97Å; M332-H357 PolarHBondContact O-N 2.88Å
333Y84.4Confident87.4Confident10 Ų1041.5 Ų41.54%0.03920%0.198CC..EExtended strand (participates in β ladder)trans-109.3114.5177.2-57.7-92.5000110.9E219 V309 N310 C311 K331 L355 H357E219-Y333 PolarHBondContact OE1-OH 3.36Å; E219-Y333 VanDerWaalsContact OE2-CE1 3.23Å; E219-Y333 WeakPolarHBondContact OE2-CE1 3.3Å; E219-Y333 VanDerWaalsContact OE2-CZ 3.31Å; E219-Y333 PolarHBondContact OE2-OH 3.47Å; V309-Y333 PolarHBondContact O-N 3.12Å; N310-Y333 HydrophobicContact CB-CD2 4.48Å; C311-Y333 CarbonylContact C-O 3.42Å; C311-Y333 WeakPolarHBondContact CA-O 3.49Å; C311-Y333 WeakPolarHBondContact CB-O 3.29Å; C311-Y333 PolarHBondContact N-O 3.01Å; K331-Y333 HydrophobicContact CB-CE2 3.86Å; K331-Y333 HydrophobicContact CD-CE2 3.85Å; K331-Y333 WeakPolarHBondContact CD-OH 3.23Å; K331-Y333 PolarHBondContact NZ-OH 3.44Å; K331-Y333 VanDerWaalsContact NZ-OH 3.14Å; Y333-L355 HydrophobicContact CD1-CD2 4.16Å; Y333-L355 HydrophobicContact CE1-CD2 3.74Å; Y333-H357 HydrophobicContact CD1-CB 4.02Å
334L87.6Confident87.7Confident0 Ų040.2 Ų40.20%019%0.19CC..  trans-127.113.8-176.3-78.8160.9000112.6C311 I316 I319 L322 M332 N337 I339 H357 L358 N361C311-L334 HydrophobicContact CB-CD2 3.55Å; C311-L334 HydrophobicContact CB-CG 4.31Å; I316-L334 HydrophobicContact CD1-CD2 4.08Å; I319-L334 HydrophobicContact CD1-CD1 4.12Å; I319-L334 HydrophobicContact CG1-CD1 4.11Å; I319-L334 HydrophobicContact CG2-CD1 4.19Å; L322-L334 HydrophobicContact CD1-CD2 4.38Å; M332-L334 HydrophobicContact CE-CD1 4.02Å; L334-N337 PolarHBondContact O-ND2 3.19Å; L334-I339 HydrophobicContact CB-CD1 4.19Å; L334-I339 HydrophobicContact CD2-CD1 4.21Å; L334-H357 CarbonylContact C-O 3.2Å; L334-H357 WeakPolarHBondContact CA-O 3.44Å; L334-H357 PolarHBondContact N-O 2.69Å; L334-L358 HydrophobicContact CB-CD2 3.86Å; L334-L358 HydrophobicContact CD1-CD2 3.88Å; L334-N361 PolarHBondContact O-ND2 3.11Å
335T84.4Confident88Confident20 Ų2040.6 Ų40.612%0.12319%0.194CC..THydrogen-bonded Turntrans-64.7153.7178.3179.20000113.9Q312 E313 N337 H357 G359Q312-T335 WeakPolarHBondContact CA-O 3.27Å; Q312-T335 HydrophobicContact CG-CG2 3.69Å; Q312-T335 VanDerWaalsContact NE2-CG2 3.26Å; E313-T335 PolarHBondContact N-O 3.02Å; E313-T335 VanDerWaalsContact N-O 3.08Å; T335-N337 VanDerWaalsContact C-N 3.34Å; T335-N337 PolarHBondContact O-N 3.02Å; T335-N337 PolarHBondContact O-ND2 3.28Å; T335-H357 WeakPolarHBondContact CB-ND1 3.4Å; T335-H357 PolarHBondContact N-O 3.33Å; T335-G359 VanDerWaalsContact CA-O 3.25Å; T335-G359 WeakPolarHBondContact CA-O 3.46Å; T335-G359 WeakPolarHBondContact CB-O 3.35Å; T335-G359 PolarHBondContact OG1-O 2.87Å
336G79Confident88.4Confident24 Ų2436.8 Ų36.825%0.24718%0.177CC..THydrogen-bonded Turntrans74.318.2-179.700000114.8N360G336-N360 VanDerWaalsContact CA-O 3.27Å; G336-N360 WeakPolarHBondContact CA-O 3.22Å; G336-N360 PolarHBondContact N-O 2.74Å; G336-N360 VanDerWaalsContact N-O 3.07Å
337N89Confident88.8Confident3 Ų336.3 Ų36.32%0.01617%0.174CC..SBendtrans-103.7-174.9-178.5-75.2-71.8000112C311 R314 K315 I316 L334 T335 I339 N361C311-N337 PolarHBondContact O-ND2 2.94Å; R314-N337 PolarHBondContact N-OD1 3.1Å; R314-N337 VanDerWaalsContact N-OD1 3.08Å; K315-N337 PolarHBondContact N-OD1 2.92Å; I316-N337 HydrophobicContact CB-CB 4.25Å; I316-N337 PolarHBondContact N-OD1 2.93Å; L334-N337 PolarHBondContact O-ND2 3.19Å; T335-N337 VanDerWaalsContact C-N 3.34Å; T335-N337 PolarHBondContact O-N 3.02Å; T335-N337 PolarHBondContact O-ND2 3.28Å; N337-I339 HydrophobicContact CB-CD1 4.32Å; N337-I339 HydrophobicContact CB-CG1 4.26Å; N337-N361 WeakPolarHBondContact CA-OD1 3.25Å; N337-N361 VanDerWaalsContact CB-OD1 3.23Å; N337-N361 WeakPolarHBondContact CB-OD1 3.07Å; N337-N361 WeakPolarHBondContact O-CA 3.35Å; N337-N361 PolarHBondContact O-OD1 3.07Å
338Y94.3Very high88.9Confident90 Ų9032.5 Ų32.535%0.35317%0.166SC..  trans-113.621.8-175.4-56.5-32.3000112.8K315 I316 P340K315-Y338 HydrophobicContact CB-CD2 3.98Å; K315-Y338 HydrophobicContact CB-CE2 3.69Å; K315-Y338 HydrophobicContact CD-CE2 4.13Å; K315-Y338 HydrophobicContact CG-CD2 4.46Å; K315-Y338 HydrophobicContact CG-CE2 3.69Å; I316-Y338 CarbonylContact O-C 3.55Å; I316-Y338 WeakPolarHBondContact O-CA 3.38Å; I316-Y338 PolarHBondContact O-N 2.93Å; Y338-P340 VanDerWaalsContact O-CD 3.29Å; Y338-P340 WeakPolarHBondContact O-CD 3.33Å
339I96.1Very high88.7Confident0 Ų035.5 Ų35.50%018%0.181CC..  trans-61.8120-176.6-57.1163.4000109.2I316 I319 L334 N337 V342 L358 N361 R362 I363I316-I339 HydrophobicContact CG2-CG1 4.3Å; I316-I339 PolarHBondContact O-N 2.9Å; I319-I339 HydrophobicContact CD1-CD1 4.31Å; I319-I339 HydrophobicContact CG1-CD1 3.75Å; I319-I339 HydrophobicContact CG1-CG1 4.4Å; I319-I339 HydrophobicContact CG1-CG2 4.26Å; L334-I339 HydrophobicContact CB-CD1 4.19Å; L334-I339 HydrophobicContact CD2-CD1 4.21Å; N337-I339 HydrophobicContact CB-CD1 4.32Å; N337-I339 HydrophobicContact CB-CG1 4.26Å; I339-V342 HydrophobicContact CG2-CG2 4.5Å; I339-L358 HydrophobicContact CD1-CD2 4.13Å; I339-N361 WeakPolarHBondContact CB-OD1 3.28Å; I339-N361 WeakPolarHBondContact CG1-OD1 3.35Å; I339-N361 PolarHBondContact N-OD1 2.97Å; I339-R362 CarbonylContact O-C 3.52Å; I339-R362 WeakPolarHBondContact O-CA 3.48Å; I339-R362 PolarHBondContact O-N 2.77Å; I339-R362 VanDerWaalsContact O-N 3.13Å; I339-I363 HydrophobicContact CB-CG1 4.42Å; I339-I363 HydrophobicContact CG2-CG1 4.26Å; I339-I363 WeakPolarHBondContact O-CG1 3.39Å; I339-I363 PolarHBondContact O-N 3.28Å
340P95.1Very high88.8Confident53 Ų5335.6 Ų35.634%0.34418%0.183SC..  trans-97.5-24.6-178.135.8-31.9000113.4E317 Y338 R362 I363 S364E317-P340 WeakPolarHBondContact O-CD 3.3Å; Y338-P340 VanDerWaalsContact O-CD 3.29Å; Y338-P340 WeakPolarHBondContact O-CD 3.33Å; P340-R362 WeakPolarHBondContact CA-O 3.23Å; P340-I363 WeakPolarHBondContact O-CA 3.32Å; P340-S364 PolarHBondContact O-N 3.35Å; P340-S364 PolarHBondContact O-OG 2.92Å
341V95.9Very high89Confident28 Ų2836.3 Ų36.317%0.1719%0.191CC..EExtended strand (participates in β ladder)trans-143135.3-173.8-178.30000110R343 V365V341-R343 HydrophobicContact CG1-CG 4.05Å; V341-V365 VanDerWaalsContact CA-O 3.29Å; V341-V365 WeakPolarHBondContact CA-O 3.24Å; V341-V365 HydrophobicContact CG1-CB 4.46Å; V341-V365 HydrophobicContact CG2-CB 4.44Å
342V96.1Very high89Confident0 Ų035.9 Ų35.90%019%0.194CC..EExtended strand (participates in β ladder)trans-108.2130.9175.2-179.30000109.9I339 F347 L358 I363 V365 I366 H367 A370 F371I339-V342 HydrophobicContact CG2-CG2 4.5Å; V342-F347 HydrophobicContact CG1-CD2 4.38Å; V342-F347 HydrophobicContact CG1-CE2 3.58Å; V342-F347 HydrophobicContact CG1-CZ 4.46Å; V342-L358 HydrophobicContact CG2-CD1 4.29Å; V342-I363 HydrophobicContact CG2-CD1 3.75Å; V342-I363 HydrophobicContact CG2-CG1 4.07Å; V342-I363 HydrophobicContact CG2-CG2 4.02Å; V342-V365 PolarHBondContact N-O 2.9Å; V342-I366 HydrophobicContact CB-CB 4.46Å; V342-I366 HydrophobicContact CB-CG1 4.16Å; V342-I366 HydrophobicContact CB-CG2 4.25Å; V342-I366 HydrophobicContact CG1-CG2 4.39Å; V342-I366 HydrophobicContact CG2-CG1 4.35Å; V342-H367 PolarHBondContact O-N 3.41Å; V342-A370 HydrophobicContact CG1-CB 4.25Å; V342-F371 HydrophobicContact CG1-CE1 4.1Å; V342-F371 HydrophobicContact CG1-CZ 4.41Å
343R94.7Very high89.2Confident85 Ų8535.6 Ų35.632%0.32119%0.193SC..  trans-128.3153-171.8-51.8-176.8-169.296.2-2.3111.3S318 V341 S345 D346S318-R343 PolarHBondContact OG-NH1 2.99Å; V341-R343 HydrophobicContact CG1-CG 4.05Å; R343-S345 WeakPolarHBondContact CB-OG 3.29Å; R343-S345 PolarHBondContact O-N 2.96Å; R343-D346 WeakPolarHBondContact CB-OD2 3.47Å; R343-D346 PolarHBondContact N-OD2 3.45Å; R343-D346 WeakPolarHBondContact O-CB 3.35Å; R343-D346 PolarHBondContact O-N 3.44Å
344R90.9Very high89.3Confident113 Ų11336.5 Ų36.543%0.42620%0.198SC..Hα-helixtrans-57.8-32.6175.8-167.6175.1177.3-178.20.8113.6D346 F347 V348 R369 D373R344-D346 PolarHBondContact O-N 3.22Å; R344-D346 VanDerWaalsContact O-N 3.15Å; R344-F347 PolarHBondContact O-N 3.46Å; R344-F347 VanDerWaalsContact O-N 3.12Å; R344-V348 VanDerWaalsContact O-CG2 3.31Å; R344-V348 WeakPolarHBondContact O-CG2 3.37Å; R344-V348 PolarHBondContact O-N 2.74Å; R344-R369 WeakPolarHBondContact CD-O 3.44Å; R344-D373 IonicContact CZ-OD1 2.72Å; R344-D373 IonicContact CZ-OD2 3.94Å; R344-D373 IonicContact NE-OD1 3.37Å; R344-D373 IonicContact NE-OD2 3.91Å; R344-D373 PolarHBondContact NE-OD2 3.41Å; R344-D373 IonicContact NH2-OD1 2.92Å; R344-D373 PolarHBondContact NH2-OD1 3.35Å; R344-D373 IonicContact NH2-OD2 2.69Å; R344-D373 PolarHBondContact NH2-OD2 3.01Å
345S90.1Very high89.3Confident60 Ų6036.5 Ų36.542%0.4220%0.199SC..Hα-helixtrans-53.3-33.6174.451.30000113.2K325 R343 F347K325-S345 PolarHBondContact NZ-O 2.82Å; R343-S345 WeakPolarHBondContact CB-OG 3.29Å; R343-S345 PolarHBondContact O-N 2.96Å; S345-F347 VanDerWaalsContact C-N 3.3Å; S345-F347 PolarHBondContact O-N 3.19Å
346D91.3Very high89.8Confident5 Ų535.6 Ų35.63%0.02719%0.193CC..Hα-helixtrans-66.6-32.9-177-56.9-35.3000111.3I319 S320 K325 R343 R344I319-D346 HydrophobicContact CB-CB 3.77Å; I319-D346 HydrophobicContact CD1-CB 4.24Å; I319-D346 HydrophobicContact CG2-CB 3.85Å; S320-D346 WeakPolarHBondContact CB-OD1 3.31Å; S320-D346 PolarHBondContact N-OD1 3.11Å; S320-D346 VanDerWaalsContact N-OD1 3.12Å; S320-D346 PolarHBondContact OG-OD1 3.25Å; K325-D346 WeakPolarHBondContact CE-O 3.3Å; K325-D346 VanDerWaalsContact NZ-C 3.35Å; K325-D346 PolarHBondContact NZ-O 3.16Å; R343-D346 WeakPolarHBondContact CB-OD2 3.47Å; R343-D346 PolarHBondContact N-OD2 3.45Å; R343-D346 WeakPolarHBondContact O-CB 3.35Å; R343-D346 PolarHBondContact O-N 3.44Å; R344-D346 PolarHBondContact O-N 3.22Å; R344-D346 VanDerWaalsContact O-N 3.15Å
347F90.7Very high90.3Very high0 Ų035.7 Ų35.70%019%0.187CC..Hα-helixtrans-1143.6-172.7-61.4-56.9000116.3I319 M332 V342 R344 S345 D349 A350 L356 L358 F371 L374I319-F347 HydrophobicContact CD1-CE2 4.35Å; I319-F347 HydrophobicContact CD1-CZ 3.79Å; M332-F347 HydrophobicContact SD-CE1 4.37Å; V342-F347 HydrophobicContact CG1-CD2 4.38Å; V342-F347 HydrophobicContact CG1-CE2 3.58Å; V342-F347 HydrophobicContact CG1-CZ 4.46Å; R344-F347 PolarHBondContact O-N 3.46Å; R344-F347 VanDerWaalsContact O-N 3.12Å; S345-F347 VanDerWaalsContact C-N 3.3Å; S345-F347 PolarHBondContact O-N 3.19Å; F347-D349 PolarHBondContact O-N 2.93Å; F347-A350 WeakPolarHBondContact O-CB 3.39Å; F347-A350 PolarHBondContact O-N 2.9Å; F347-L356 HydrophobicContact CE1-CD1 3.94Å; F347-L356 HydrophobicContact CE1-CD2 3.87Å; F347-L356 HydrophobicContact CE2-CD2 4.02Å; F347-L356 HydrophobicContact CZ-CD1 3.97Å; F347-L356 HydrophobicContact CZ-CD2 3.53Å; F347-L356 HydrophobicContact CZ-CG 4.4Å; F347-L358 HydrophobicContact CZ-CD1 4.28Å; F347-F371 AromaticContact CD2-CD1 3.96Å; F347-F371 HydrophobicContact CD2-CD1 3.96Å; F347-F371 HydrophobicContact CD2-CE1 4.26Å; F347-F371 AromaticContact CE2-CD1 3.91Å; F347-F371 HydrophobicContact CE2-CD1 3.91Å; F347-F371 AromaticContact CE2-CE1 3.73Å; F347-F371 HydrophobicContact CE2-CE1 3.73Å; F347-L374 HydrophobicContact CB-CD1 4.29Å; F347-L374 HydrophobicContact CB-CD2 3.94Å; F347-L374 HydrophobicContact CB-CG 4.16Å; F347-L374 HydrophobicContact CD1-CD1 4.32Å; F347-L374 HydrophobicContact CD1-CD2 4.41Å; F347-L374 HydrophobicContact CD2-CD1 4.22Å; F347-L374 HydrophobicContact CG-CD1 4.01Å; F347-L374 HydrophobicContact CG-CD2 4.31Å; F347-L374 HydrophobicContact CG-CG 4.42Å
348V83.2Confident90.5Very high61 Ų6135.5 Ų35.537%0.3719%0.186SC..THydrogen-bonded Turntrans-48.4131.4168.4-1740000110.5K325 R344 A350K325-V348 PolarHBondContact NZ-O 2.59Å; R344-V348 VanDerWaalsContact O-CG2 3.31Å; R344-V348 WeakPolarHBondContact O-CG2 3.37Å; R344-V348 PolarHBondContact O-N 2.74Å; V348-A350 PolarHBondContact O-N 3.47Å
349D78.1Confident90.2Very high110 Ų11031.2 Ų31.259%0.58817%0.169SC*.THydrogen-bonded Turntrans63.89.8-177.7-53-40000116.7N328 F347 T351N328-D349 WeakPolarHBondContact CA-O 3.49Å; N328-D349 PolarHBondContact OD1-O 3.45Å; F347-D349 PolarHBondContact O-N 2.93Å; D349-T351 PolarHBondContact O-N 2.92Å
350A87.1Confident89.7Confident4 Ų434.8 Ų34.83%0.03319%0.188CC..  trans-86.437.2174.700000113.6P329 F347 V348 G352 L353 L374P329-A350 HydrophobicContact CG-CB 4.25Å; F347-A350 WeakPolarHBondContact O-CB 3.39Å; F347-A350 PolarHBondContact O-N 2.9Å; V348-A350 PolarHBondContact O-N 3.47Å; A350-G352 VanDerWaalsContact C-N 3.28Å; A350-G352 PolarHBondContact O-N 2.81Å; A350-L353 VanDerWaalsContact O-CB 3.32Å; A350-L353 WeakPolarHBondContact O-CB 3.31Å; A350-L353 PolarHBondContact O-N 3.21Å; A350-L374 HydrophobicContact CB-CD2 3.79Å; A350-L374 VanDerWaalsContact O-CD2 3.25Å; A350-L374 WeakPolarHBondContact O-CD2 3.37Å
351T87.6Confident89.6Confident63 Ų6332.9 Ų32.939%0.38718%0.175SC..THydrogen-bonded Turntrans-66-25.1-167.965.30000114.8N328 D349 L353 N376N328-T351 PolarHBondContact OD1-N 3.47Å; N328-T351 VanDerWaalsContact OD1-N 3.12Å; N328-T351 PolarHBondContact OD1-OG1 3.37Å; D349-T351 PolarHBondContact O-N 2.92Å; T351-L353 VanDerWaalsContact C-N 3.3Å; T351-L353 PolarHBondContact O-N 3.3Å; T351-N376 PolarHBondContact O-ND2 3.09Å
352G86.5Confident89.5Confident18 Ų1838 Ų3819%0.18619%0.191CC..THydrogen-bonded Turntrans-80.92.7178.300000115.9N328 P329 A350 D354N328-G352 PolarHBondContact OD1-N 2.87Å; P329-G352 CarbonylContact O-C 3.06Å; P329-G352 VanDerWaalsContact O-C 3.29Å; A350-G352 VanDerWaalsContact C-N 3.28Å; A350-G352 PolarHBondContact O-N 2.81Å; G352-D354 PolarHBondContact O-N 2.91Å
353L90.5Very high89.6Confident0 Ų038 Ų380%019%0.191CC..  trans-70.7125.1-174.1-164.366.6000111.3P329 M332 A350 T351 L355 L356 L374 N376 L377P329-L353 HydrophobicContact CB-CD1 4.34Å; P329-L353 HydrophobicContact CG-CD1 4.29Å; P329-L353 VanDerWaalsContact O-CA 3.23Å; P329-L353 WeakPolarHBondContact O-CA 3.49Å; P329-L353 PolarHBondContact O-N 2.81Å; P329-L353 VanDerWaalsContact O-N 3.12Å; M332-L353 HydrophobicContact CB-CD1 3.96Å; M332-L353 HydrophobicContact CG-CD1 3.65Å; M332-L353 HydrophobicContact SD-CD1 4.27Å; M332-L353 HydrophobicContact SD-CD2 4.35Å; A350-L353 VanDerWaalsContact O-CB 3.32Å; A350-L353 WeakPolarHBondContact O-CB 3.31Å; A350-L353 PolarHBondContact O-N 3.21Å; T351-L353 VanDerWaalsContact C-N 3.3Å; T351-L353 PolarHBondContact O-N 3.3Å; L353-L355 WeakPolarHBondContact CD1-O 3.47Å; L353-L356 HydrophobicContact CD2-CB 3.94Å; L353-L356 HydrophobicContact CD2-CD1 4.31Å; L353-L356 HydrophobicContact CD2-CD2 4.25Å; L353-L356 HydrophobicContact CD2-CG 4.4Å; L353-L374 HydrophobicContact CB-CD2 4.06Å; L353-L374 HydrophobicContact CD2-CD1 4.13Å; L353-L374 HydrophobicContact CD2-CD2 3.85Å; L353-N376 CarbonylContact O-C 3.48Å; L353-L377 HydrophobicContact CB-CD1 4.28Å; L353-L377 HydrophobicContact CD2-CD1 4.04Å; L353-L377 HydrophobicContact CG-CD1 3.79Å; L353-L377 WeakPolarHBondContact O-CA 3.36Å; L353-L377 PolarHBondContact O-N 3.03Å
354D86.6Confident89.6Confident29 Ų2936.4 Ų36.416%0.15519%0.193CC..  trans-106.9-33.7-178.8-171.3104.5000111.2K330 G352 R378 R379K330-D354 HydrophobicContact CD-CB 4.26Å; K330-D354 PolarHBondContact O-N 2.92Å; G352-D354 PolarHBondContact O-N 2.91Å; D354-R378 PolarHBondContact O-N 2.82Å; D354-R378 VanDerWaalsContact OD1-CD 3.24Å; D354-R378 WeakPolarHBondContact OD1-CD 3.14Å; D354-R378 IonicContact OD1-NE 2.67Å; D354-R378 PolarHBondContact OD1-NE 3.24Å; D354-R379 PolarHBondContact O-N 3.03Å
355L89Confident89.8Confident1 Ų134.4 Ų34.41%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-129.4131175.5-175.4154.3000112E219 K330 K331 M332 Y333 L353 H357 R379 Y381E219-L355 WeakPolarHBondContact OE1-CD1 3.42Å; K330-L355 PolarHBondContact O-N 3.41Å; K331-L355 WeakPolarHBondContact CA-O 3.22Å; K331-L355 HydrophobicContact CB-CB 4.44Å; K331-L355 HydrophobicContact CG-CB 4.22Å; M332-L355 PolarHBondContact N-O 3.47Å; Y333-L355 HydrophobicContact CD1-CD2 4.16Å; Y333-L355 HydrophobicContact CE1-CD2 3.74Å; L353-L355 WeakPolarHBondContact CD1-O 3.47Å; L355-H357 HydrophobicContact CD2-CB 4.13Å; L355-R379 HydrophobicContact CD1-CB 4.47Å; L355-R379 HydrophobicContact CG-CB 4.26Å; L355-Y381 HydrophobicContact CD1-CE2 4.22Å; L355-Y381 HydrophobicContact CG-CE2 4.24Å
356L94.1Very high90.1Very high0 Ų031.8 Ų31.80%017%0.174CC..EExtended strand (participates in β ladder)trans-130.5113174.1176.855.8000110.1M332 F347 L353 L358 F371 L374 L377 R379 L380 Y381M332-L356 HydrophobicContact CB-CD1 3.97Å; F347-L356 HydrophobicContact CE1-CD1 3.94Å; F347-L356 HydrophobicContact CE1-CD2 3.87Å; F347-L356 HydrophobicContact CE2-CD2 4.02Å; F347-L356 HydrophobicContact CZ-CD1 3.97Å; F347-L356 HydrophobicContact CZ-CD2 3.53Å; F347-L356 HydrophobicContact CZ-CG 4.4Å; L353-L356 HydrophobicContact CD2-CB 3.94Å; L353-L356 HydrophobicContact CD2-CD1 4.31Å; L353-L356 HydrophobicContact CD2-CD2 4.25Å; L353-L356 HydrophobicContact CD2-CG 4.4Å; L356-L358 HydrophobicContact CD1-CD1 4.14Å; L356-L358 HydrophobicContact CD1-CG 3.96Å; L356-L358 HydrophobicContact CD2-CD1 3.89Å; L356-L358 HydrophobicContact CG-CD1 3.93Å; L356-L358 HydrophobicContact CG-CG 4.07Å; L356-F371 HydrophobicContact CD2-CD1 4.24Å; L356-F371 HydrophobicContact CD2-CE1 3.9Å; L356-L374 HydrophobicContact CD2-CD1 3.94Å; L356-L377 HydrophobicContact CB-CD1 3.72Å; L356-L377 HydrophobicContact CB-CD2 4.18Å; L356-R379 PolarHBondContact N-O 3.16Å; L356-L380 HydrophobicContact CB-CD1 4.15Å; L356-L380 HydrophobicContact CD2-CD1 3.97Å; L356-L380 HydrophobicContact CG-CD1 4Å; L356-Y381 PolarHBondContact O-N 3.24Å
357H89.4Confident90.2Very high26 Ų2635.8 Ų35.812%0.1219%0.193CC..EExtended strand (participates in β ladder)trans-108102.1-179.6-162.2-42.8000111.7M332 Y333 L334 T335 L355 G359 Y381M332-H357 PolarHBondContact O-N 2.88Å; Y333-H357 HydrophobicContact CD1-CB 4.02Å; L334-H357 CarbonylContact C-O 3.2Å; L334-H357 WeakPolarHBondContact CA-O 3.44Å; L334-H357 PolarHBondContact N-O 2.69Å; T335-H357 WeakPolarHBondContact CB-ND1 3.4Å; T335-H357 PolarHBondContact N-O 3.33Å; L355-H357 HydrophobicContact CD2-CB 4.13Å; H357-G359 PolarHBondContact ND1-N 2.86Å; H357-Y381 HydrophobicContact CB-CD2 4.13Å; H357-Y381 AromaticContact CD2-CD2 3.73Å; H357-Y381 AromaticContact CD2-CG 3.7Å; H357-Y381 AromaticContact CG-CD2 3.98Å; H357-Y381 AromaticContact CG-CG 3.99Å; H357-Y381 AromaticContact NE2-CG 3.9Å
358L94.1Very high90.4Very high0 Ų040.2 Ų40.20%022%0.216CC..  trans-112.78.1179.7-74.4168.3000113.1I319 L334 I339 V342 F347 L356 N361 I363 F371 Y381 L382 N385I319-L358 HydrophobicContact CD1-CD2 3.88Å; L334-L358 HydrophobicContact CB-CD2 3.86Å; L334-L358 HydrophobicContact CD1-CD2 3.88Å; I339-L358 HydrophobicContact CD1-CD2 4.13Å; V342-L358 HydrophobicContact CG2-CD1 4.29Å; F347-L358 HydrophobicContact CZ-CD1 4.28Å; L356-L358 HydrophobicContact CD1-CD1 4.14Å; L356-L358 HydrophobicContact CD1-CG 3.96Å; L356-L358 HydrophobicContact CD2-CD1 3.89Å; L356-L358 HydrophobicContact CG-CD1 3.93Å; L356-L358 HydrophobicContact CG-CG 4.07Å; L358-N361 WeakPolarHBondContact O-CB 3.39Å; L358-N361 PolarHBondContact O-ND2 2.98Å; L358-I363 HydrophobicContact CB-CD1 3.86Å; L358-I363 HydrophobicContact CD1-CD1 4.46Å; L358-I363 HydrophobicContact CD2-CD1 4.29Å; L358-I363 HydrophobicContact CG-CD1 4.44Å; L358-F371 HydrophobicContact CD1-CE1 4.35Å; L358-Y381 CarbonylContact C-O 3.5Å; L358-Y381 VanDerWaalsContact C-O 3.31Å; L358-Y381 VanDerWaalsContact CA-O 3.29Å; L358-Y381 WeakPolarHBondContact CA-O 3.16Å; L358-Y381 WeakPolarHBondContact CB-O 3.3Å; L358-Y381 PolarHBondContact N-O 2.77Å; L358-L382 HydrophobicContact CB-CD2 3.76Å; L358-L382 HydrophobicContact CD1-CD2 4.03Å; L358-N385 PolarHBondContact O-ND2 3.19Å
359G87.7Confident90.8Very high0 Ų042.3 Ų42.30%022%0.218CC..  trans-57.1166.3175.900000114.9T335 H357 N361 Y381 N383T335-G359 VanDerWaalsContact CA-O 3.25Å; T335-G359 WeakPolarHBondContact CA-O 3.46Å; T335-G359 WeakPolarHBondContact CB-O 3.35Å; T335-G359 PolarHBondContact OG1-O 2.87Å; H357-G359 PolarHBondContact ND1-N 2.86Å; G359-N361 VanDerWaalsContact C-N 3.35Å; G359-N361 PolarHBondContact O-N 2.75Å; G359-N361 PolarHBondContact O-ND2 3.19Å; G359-Y381 PolarHBondContact N-O 3.23Å; G359-Y381 VanDerWaalsContact N-O 3.08Å; G359-N383 CarbonylContact C-O 3.48Å; G359-N383 WeakPolarHBondContact CA-O 3.5Å; G359-N383 VanDerWaalsContact CA-OD1 3.28Å; G359-N383 WeakPolarHBondContact CA-OD1 3.33Å
360N86.1Confident91.6Very high74 Ų7437 Ų3740%0.39619%0.19SC..SBendtrans45.954.4177.3-65.4-12.9000113G336 N383 G384G336-N360 VanDerWaalsContact CA-O 3.27Å; G336-N360 WeakPolarHBondContact CA-O 3.22Å; G336-N360 PolarHBondContact N-O 2.74Å; G336-N360 VanDerWaalsContact N-O 3.07Å; N360-N383 PolarHBondContact N-O 3.17Å; N360-G384 WeakPolarHBondContact CA-O 3.36Å
361N92.1Very high92Very high13 Ų1336.9 Ų36.97%0.0719%0.188CC..SBendtrans-125.5-156-178.8-97.7-92.6000110.1L334 N337 I339 L358 G359 I363 G384 N385L334-N361 PolarHBondContact O-ND2 3.11Å; N337-N361 WeakPolarHBondContact CA-OD1 3.25Å; N337-N361 VanDerWaalsContact CB-OD1 3.23Å; N337-N361 WeakPolarHBondContact CB-OD1 3.07Å; N337-N361 WeakPolarHBondContact O-CA 3.35Å; N337-N361 PolarHBondContact O-OD1 3.07Å; I339-N361 WeakPolarHBondContact CB-OD1 3.28Å; I339-N361 WeakPolarHBondContact CG1-OD1 3.35Å; I339-N361 PolarHBondContact N-OD1 2.97Å; L358-N361 WeakPolarHBondContact O-CB 3.39Å; L358-N361 PolarHBondContact O-ND2 2.98Å; G359-N361 VanDerWaalsContact C-N 3.35Å; G359-N361 PolarHBondContact O-N 2.75Å; G359-N361 PolarHBondContact O-ND2 3.19Å; N361-I363 HydrophobicContact CB-CD1 4.2Å; N361-I363 HydrophobicContact CB-CG1 4.1Å; N361-G384 PolarHBondContact N-O 2.9Å; N361-N385 WeakPolarHBondContact CA-OD1 3.3Å; N361-N385 WeakPolarHBondContact CB-OD1 3.37Å; N361-N385 PolarHBondContact N-OD1 2.76Å
362R94.5Very high92.2Very high136 Ų13634.3 Ų34.351%0.51317%0.174SC..  trans-120.719.9176.5-61.8-174.7178.5-155.5-1.4112.3I339 P340 S364 N385 L386I339-R362 CarbonylContact O-C 3.52Å; I339-R362 WeakPolarHBondContact O-CA 3.48Å; I339-R362 PolarHBondContact O-N 2.77Å; I339-R362 VanDerWaalsContact O-N 3.13Å; P340-R362 WeakPolarHBondContact CA-O 3.23Å; R362-S364 PolarHBondContact O-N 3.4Å; R362-S364 VanDerWaalsContact O-N 3.1Å; R362-N385 PolarHBondContact N-OD1 2.81Å; R362-L386 HydrophobicContact CB-CD1 4.14Å
363I97.4Very high92.3Very high0 Ų035.3 Ų35.30%018%0.175CC..  trans-64.9115-169.4-59.6165.4000108.6I339 P340 V342 L358 N361 I366 L382 N385 L386 M387I339-I363 HydrophobicContact CB-CG1 4.42Å; I339-I363 HydrophobicContact CG2-CG1 4.26Å; I339-I363 WeakPolarHBondContact O-CG1 3.39Å; I339-I363 PolarHBondContact O-N 3.28Å; P340-I363 WeakPolarHBondContact O-CA 3.32Å; V342-I363 HydrophobicContact CG2-CD1 3.75Å; V342-I363 HydrophobicContact CG2-CG1 4.07Å; V342-I363 HydrophobicContact CG2-CG2 4.02Å; L358-I363 HydrophobicContact CB-CD1 3.86Å; L358-I363 HydrophobicContact CD1-CD1 4.46Å; L358-I363 HydrophobicContact CD2-CD1 4.29Å; L358-I363 HydrophobicContact CG-CD1 4.44Å; N361-I363 HydrophobicContact CB-CD1 4.2Å; N361-I363 HydrophobicContact CB-CG1 4.1Å; I363-I366 HydrophobicContact CG2-CD1 4.5Å; I363-I366 HydrophobicContact CG2-CG1 3.84Å; I363-L382 HydrophobicContact CD1-CD2 4.14Å; I363-N385 HydrophobicContact CB-CB 4.31Å; I363-N385 VanDerWaalsContact CB-OD1 3.28Å; I363-N385 WeakPolarHBondContact CB-OD1 3.18Å; I363-N385 WeakPolarHBondContact CG1-OD1 3.38Å; I363-N385 PolarHBondContact N-OD1 2.86Å; I363-L386 CarbonylContact O-C 3.59Å; I363-L386 VanDerWaalsContact O-C 3.29Å; I363-L386 WeakPolarHBondContact O-CA 3.35Å; I363-L386 PolarHBondContact O-N 3.14Å; I363-M387 HydrophobicContact CG2-CG 4.29Å; I363-M387 HydrophobicContact CG2-SD 4.35Å; I363-M387 WeakPolarHBondContact O-CG 3.37Å; I363-M387 PolarHBondContact O-N 3.26Å
364S95.4Very high92.5Very high51 Ų5135.3 Ų35.336%0.35718%0.175SC..  trans-107.8-24.5173.758.60000112.3P340 R362P340-S364 PolarHBondContact O-N 3.35Å; P340-S364 PolarHBondContact O-OG 2.92Å; R362-S364 PolarHBondContact O-N 3.4Å; R362-S364 VanDerWaalsContact O-N 3.1Å
365V94.3Very high92.7Very high71 Ų7136.4 Ų36.443%0.4318%0.183SC..EExtended strand (participates in β ladder)trans-135.8127.8-179.8-174.80000110.8V341 V342V341-V365 VanDerWaalsContact CA-O 3.29Å; V341-V365 WeakPolarHBondContact CA-O 3.24Å; V341-V365 HydrophobicContact CG1-CB 4.46Å; V341-V365 HydrophobicContact CG2-CB 4.44Å; V342-V365 PolarHBondContact N-O 2.9Å
366I96.3Very high92.8Very high5 Ų539.9 Ų39.93%0.02620%0.202CC..EExtended strand (participates in β ladder)trans-107.3125.3163-57.5175.4000106.1V342 I363 A370 F371 L382 M387 M394V342-I366 HydrophobicContact CB-CB 4.46Å; V342-I366 HydrophobicContact CB-CG1 4.16Å; V342-I366 HydrophobicContact CB-CG2 4.25Å; V342-I366 HydrophobicContact CG1-CG2 4.39Å; V342-I366 HydrophobicContact CG2-CG1 4.35Å; I363-I366 HydrophobicContact CG2-CD1 4.5Å; I363-I366 HydrophobicContact CG2-CG1 3.84Å; I366-A370 HydrophobicContact CG2-CB 3.85Å; I366-F371 HydrophobicContact CD1-CE2 4.07Å; I366-F371 HydrophobicContact CD1-CZ 4.01Å; I366-F371 HydrophobicContact CG2-CD2 4.48Å; I366-F371 HydrophobicContact CG2-CE2 3.8Å; I366-F371 HydrophobicContact CG2-CZ 4Å; I366-L382 HydrophobicContact CD1-CD1 3.72Å; I366-L382 HydrophobicContact CD1-CD2 3.94Å; I366-M387 HydrophobicContact CD1-SD 3.6Å; I366-M387 HydrophobicContact CG1-SD 4.04Å; I366-M394 HydrophobicContact CB-CE 4.13Å; I366-M394 HydrophobicContact CB-CG 3.93Å; I366-M394 HydrophobicContact CB-SD 4.13Å; I366-M394 HydrophobicContact CD1-CG 4.36Å; I366-M394 HydrophobicContact CD1-SD 4.01Å; I366-M394 HydrophobicContact CG1-SD 4.5Å; I366-M394 HydrophobicContact CG2-CG 3.86Å
367H94.7Very high92.8Very high89 Ų8939.9 Ų39.941%0.41220%0.202SC..  trans-67.6144.9176.9-75.4-152.5000110.8V342 R369 A370V342-H367 PolarHBondContact O-N 3.41Å; H367-R369 PolarHBondContact O-N 3.48Å; H367-A370 HydrophobicContact CB-CB 4.48Å; H367-A370 WeakPolarHBondContact O-CB 3.23Å; H367-A370 PolarHBondContact O-N 3.12Å
368D92.9Very high92.8Very high93 Ų9343.2 Ų43.250%0.49721%0.213SC..THydrogen-bonded Turntrans-53.5135.5173.8-63.4-45.6000111.2A370 T391 E393D368-A370 PolarHBondContact O-N 3.36Å; D368-T391 PolarHBondContact OD1-OG1 3.17Å; D368-E393 HydrophobicContact CB-CB 3.76Å
369R93.5Very high92.5Very high105 Ų10546.6 Ų46.640%0.39623%0.226SC..THydrogen-bonded Turntrans57.622.9-175.2-43.6-171.9172.2144.94.5114.7R344 H367 F371 G372 E393 F396R344-R369 WeakPolarHBondContact CD-O 3.44Å; H367-R369 PolarHBondContact O-N 3.48Å; R369-F371 PolarHBondContact O-N 2.92Å; R369-G372 PolarHBondContact O-N 2.99Å; R369-E393 HydrophobicContact CG-CB 4.44Å; R369-E393 IonicContact CZ-OE1 2.67Å; R369-E393 IonicContact CZ-OE2 3.82Å; R369-E393 VanDerWaalsContact CZ-OE2 3.23Å; R369-E393 PolarHBondContact N-O 3.47Å; R369-E393 IonicContact NE-OE2 3.07Å; R369-E393 PolarHBondContact NE-OE2 2.81Å; R369-E393 IonicContact NH2-OE1 2.82Å; R369-E393 PolarHBondContact NH2-OE1 3.2Å; R369-E393 IonicContact NH2-OE2 3.64Å; R369-E393 PolarHBondContact NH2-OE2 2.86Å; R369-F396 HydrophobicContact CB-CB 4.28Å; R369-F396 HydrophobicContact CB-CD1 4.07Å; R369-F396 HydrophobicContact CB-CG 4.37Å; R369-F396 HydrophobicContact CG-CB 3.82Å; R369-F396 HydrophobicContact CG-CD1 3.88Å; R369-F396 HydrophobicContact CG-CD2 4.44Å; R369-F396 HydrophobicContact CG-CG 3.79Å
370A94.6Very high93Very high0 Ų046.6 Ų46.60%023%0.226CC..THydrogen-bonded Turntrans-57-36.3173.800000112.6V342 I366 H367 D368 G372V342-A370 HydrophobicContact CG1-CB 4.25Å; I366-A370 HydrophobicContact CG2-CB 3.85Å; H367-A370 HydrophobicContact CB-CB 4.48Å; H367-A370 WeakPolarHBondContact O-CB 3.23Å; H367-A370 PolarHBondContact O-N 3.12Å; D368-A370 PolarHBondContact O-N 3.36Å; A370-G372 VanDerWaalsContact C-N 3.35Å
371F95.1Very high93.3Very high0 Ų044.9 Ų44.90%021%0.214CC..THydrogen-bonded Turntrans-91.110.6177-52.1-54.4000113.9V342 F347 L356 L358 I366 R369 D373 L374 L380 L382 M394 F395 F396 L398V342-F371 HydrophobicContact CG1-CE1 4.1Å; V342-F371 HydrophobicContact CG1-CZ 4.41Å; F347-F371 AromaticContact CD2-CD1 3.96Å; F347-F371 HydrophobicContact CD2-CD1 3.96Å; F347-F371 HydrophobicContact CD2-CE1 4.26Å; F347-F371 AromaticContact CE2-CD1 3.91Å; F347-F371 HydrophobicContact CE2-CD1 3.91Å; F347-F371 AromaticContact CE2-CE1 3.73Å; F347-F371 HydrophobicContact CE2-CE1 3.73Å; L356-F371 HydrophobicContact CD2-CD1 4.24Å; L356-F371 HydrophobicContact CD2-CE1 3.9Å; L358-F371 HydrophobicContact CD1-CE1 4.35Å; I366-F371 HydrophobicContact CD1-CE2 4.07Å; I366-F371 HydrophobicContact CD1-CZ 4.01Å; I366-F371 HydrophobicContact CG2-CD2 4.48Å; I366-F371 HydrophobicContact CG2-CE2 3.8Å; I366-F371 HydrophobicContact CG2-CZ 4Å; R369-F371 PolarHBondContact O-N 2.92Å; F371-D373 PolarHBondContact O-N 3.18Å; F371-L374 HydrophobicContact CB-CD1 4.06Å; F371-L374 HydrophobicContact CB-CG 4.48Å; F371-L374 HydrophobicContact CD1-CD1 3.72Å; F371-L374 HydrophobicContact CG-CD1 4.32Å; F371-L374 WeakPolarHBondContact O-CB 3.29Å; F371-L374 PolarHBondContact O-N 3.34Å; F371-L380 HydrophobicContact CD2-CD2 4.35Å; F371-L380 HydrophobicContact CE2-CD2 3.96Å; F371-L380 HydrophobicContact CZ-CD1 4.38Å; F371-L380 HydrophobicContact CZ-CD2 4.14Å; F371-L382 HydrophobicContact CZ-CD1 4.39Å; F371-M394 WeakPolarHBondContact CD2-O 3.47Å; F371-F395 HydrophobicContact CD2-CD1 4.24Å; F371-F395 HydrophobicContact CE2-CD1 4.18Å; F371-F395 HydrophobicContact CE2-CE1 4.3Å; F371-F396 CarbonylContact C-O 3.16Å; F371-L398 HydrophobicContact CB-CD1 3.95Å; F371-L398 HydrophobicContact CB-CD2 3.82Å; F371-L398 HydrophobicContact CB-CG 3.81Å; F371-L398 HydrophobicContact CD2-CD1 3.85Å; F371-L398 HydrophobicContact CG-CD1 4.1Å; F371-L398 HydrophobicContact CG-CG 4.49Å
372G91.9Very high93.5Very high9 Ų944.3 Ų44.39%0.09321%0.211CC..THydrogen-bonded Turntrans-59.1-21-166.400000116.5R369 A370 F396R369-G372 PolarHBondContact O-N 2.99Å; A370-G372 VanDerWaalsContact C-N 3.35Å; G372-F396 VanDerWaalsContact CA-O 3.29Å; G372-F396 WeakPolarHBondContact CA-O 3.33Å; G372-F396 PolarHBondContact N-O 2.81Å
373D88.8Confident93.3Very high39 Ų3938.8 Ų38.821%0.20919%0.192CC..THydrogen-bonded Turntrans-103.1-4.6-177.6-51.8-54000112.4R344 F371 T375R344-D373 IonicContact CZ-OD1 2.72Å; R344-D373 IonicContact CZ-OD2 3.94Å; R344-D373 IonicContact NE-OD1 3.37Å; R344-D373 IonicContact NE-OD2 3.91Å; R344-D373 PolarHBondContact NE-OD2 3.41Å; R344-D373 IonicContact NH2-OD1 2.92Å; R344-D373 PolarHBondContact NH2-OD1 3.35Å; R344-D373 IonicContact NH2-OD2 2.69Å; R344-D373 PolarHBondContact NH2-OD2 3.01Å; F371-D373 PolarHBondContact O-N 3.18Å; D373-T375 VanDerWaalsContact C-N 3.32Å; D373-T375 PolarHBondContact O-N 3.1Å; D373-T375 VanDerWaalsContact O-N 3.12Å
374L93.3Very high92.8Very high0 Ų039.7 Ų39.70%020%0.202CC..  trans-87.451-175-58.9-175.4000113.2F347 A350 L353 L356 F371 N376 L377 L398F347-L374 HydrophobicContact CB-CD1 4.29Å; F347-L374 HydrophobicContact CB-CD2 3.94Å; F347-L374 HydrophobicContact CB-CG 4.16Å; F347-L374 HydrophobicContact CD1-CD1 4.32Å; F347-L374 HydrophobicContact CD1-CD2 4.41Å; F347-L374 HydrophobicContact CD2-CD1 4.22Å; F347-L374 HydrophobicContact CG-CD1 4.01Å; F347-L374 HydrophobicContact CG-CD2 4.31Å; F347-L374 HydrophobicContact CG-CG 4.42Å; A350-L374 HydrophobicContact CB-CD2 3.79Å; A350-L374 VanDerWaalsContact O-CD2 3.25Å; A350-L374 WeakPolarHBondContact O-CD2 3.37Å; L353-L374 HydrophobicContact CB-CD2 4.06Å; L353-L374 HydrophobicContact CD2-CD1 4.13Å; L353-L374 HydrophobicContact CD2-CD2 3.85Å; L356-L374 HydrophobicContact CD2-CD1 3.94Å; F371-L374 HydrophobicContact CB-CD1 4.06Å; F371-L374 HydrophobicContact CB-CG 4.48Å; F371-L374 HydrophobicContact CD1-CD1 3.72Å; F371-L374 HydrophobicContact CG-CD1 4.32Å; F371-L374 WeakPolarHBondContact O-CB 3.29Å; F371-L374 PolarHBondContact O-N 3.34Å; L374-N376 VanDerWaalsContact C-N 3.26Å; L374-N376 PolarHBondContact O-N 2.88Å; L374-L377 HydrophobicContact CB-CB 4.28Å; L374-L377 HydrophobicContact CD1-CD2 4.31Å; L374-L377 WeakPolarHBondContact O-CB 3.33Å; L374-L377 PolarHBondContact O-N 3.07Å; L374-L398 HydrophobicContact CB-CD2 3.87Å
375T90.8Very high92.7Very high52 Ų5237.5 Ų37.532%0.31919%0.186SC..THydrogen-bonded Turntrans-66.1-21.4-169.256.40000115.2D373 N400D373-T375 VanDerWaalsContact C-N 3.32Å; D373-T375 PolarHBondContact O-N 3.1Å; D373-T375 VanDerWaalsContact O-N 3.12Å; T375-N400 PolarHBondContact O-ND2 3.06Å
376N90.9Very high92.7Very high75 Ų7537.7 Ų37.740%0.40118%0.184SC..THydrogen-bonded Turntrans-90.9-2.8179.1-68.3-68000114.5T351 L353 L374 R378T351-N376 PolarHBondContact O-ND2 3.09Å; L353-N376 CarbonylContact O-C 3.48Å; L374-N376 VanDerWaalsContact C-N 3.26Å; L374-N376 PolarHBondContact O-N 2.88Å; N376-R378 PolarHBondContact O-N 2.8Å
377L95Very high92.7Very high0 Ų037.5 Ų37.50%018%0.183CC..  trans-66.5126.6-171.7-165.276.5000111.5L353 L356 L374 L380 L398 N400 L401L353-L377 HydrophobicContact CB-CD1 4.28Å; L353-L377 HydrophobicContact CD2-CD1 4.04Å; L353-L377 HydrophobicContact CG-CD1 3.79Å; L353-L377 WeakPolarHBondContact O-CA 3.36Å; L353-L377 PolarHBondContact O-N 3.03Å; L356-L377 HydrophobicContact CB-CD1 3.72Å; L356-L377 HydrophobicContact CB-CD2 4.18Å; L374-L377 HydrophobicContact CB-CB 4.28Å; L374-L377 HydrophobicContact CD1-CD2 4.31Å; L374-L377 WeakPolarHBondContact O-CB 3.33Å; L374-L377 PolarHBondContact O-N 3.07Å; L377-L380 HydrophobicContact CD2-CB 4.03Å; L377-L380 HydrophobicContact CD2-CD1 4.37Å; L377-L380 HydrophobicContact CD2-CD2 4.42Å; L377-L398 HydrophobicContact CB-CD2 3.85Å; L377-L398 HydrophobicContact CD2-CD2 3.56Å; L377-L398 HydrophobicContact CG-CD2 4.32Å; L377-N400 CarbonylContact O-C 3.09Å; L377-L401 HydrophobicContact CD2-CD1 4.05Å; L377-L401 HydrophobicContact CG-CD1 4.12Å; L377-L401 WeakPolarHBondContact O-CA 3.39Å; L377-L401 PolarHBondContact O-N 3.37Å
378R88.9Confident92.7Very high96 Ų9635.8 Ų35.836%0.36218%0.177SC..  trans-103.1-37.5178.5-62.8-177.9-173.5-84.8-8.8113.4D354 N376 Q402 Y403D354-R378 PolarHBondContact O-N 2.82Å; D354-R378 VanDerWaalsContact OD1-CD 3.24Å; D354-R378 WeakPolarHBondContact OD1-CD 3.14Å; D354-R378 IonicContact OD1-NE 2.67Å; D354-R378 PolarHBondContact OD1-NE 3.24Å; N376-R378 PolarHBondContact O-N 2.8Å; R378-Q402 PolarHBondContact O-N 3.23Å; R378-Y403 PolarHBondContact O-N 2.94Å
379R88.9Confident92.8Very high71 Ų7136.8 Ų36.827%0.26817%0.174SC..EExtended strand (participates in β ladder)trans-125.3123.3-175.3-56.8-172.9-173.3127.6-1.7110.5D354 L355 L356 Y381 Y403D354-R379 PolarHBondContact O-N 3.03Å; L355-R379 HydrophobicContact CD1-CB 4.47Å; L355-R379 HydrophobicContact CG-CB 4.26Å; L356-R379 PolarHBondContact N-O 3.16Å; R379-Y381 HydrophobicContact CB-CE2 3.82Å; R379-Y403 HydrophobicContact CG-CD2 3.88Å; R379-Y403 HydrophobicContact CG-CG 4.38Å
380L96.7Very high92.9Very high0 Ų031.9 Ų31.90%016%0.155CC..EExtended strand (participates in β ladder)trans-126.6113.2176.717853.9000109.7L356 F371 L377 L382 F395 L398 L401 Y403 L404 Y405L356-L380 HydrophobicContact CB-CD1 4.15Å; L356-L380 HydrophobicContact CD2-CD1 3.97Å; L356-L380 HydrophobicContact CG-CD1 4Å; F371-L380 HydrophobicContact CD2-CD2 4.35Å; F371-L380 HydrophobicContact CE2-CD2 3.96Å; F371-L380 HydrophobicContact CZ-CD1 4.38Å; F371-L380 HydrophobicContact CZ-CD2 4.14Å; L377-L380 HydrophobicContact CD2-CB 4.03Å; L377-L380 HydrophobicContact CD2-CD1 4.37Å; L377-L380 HydrophobicContact CD2-CD2 4.42Å; L380-L382 HydrophobicContact CD1-CD1 4.18Å; L380-L382 HydrophobicContact CD1-CG 4.02Å; L380-L382 HydrophobicContact CD2-CD1 3.9Å; L380-L382 HydrophobicContact CG-CD1 3.9Å; L380-L382 HydrophobicContact CG-CG 4.08Å; L380-F395 HydrophobicContact CD2-CD1 4.21Å; L380-F395 HydrophobicContact CD2-CE1 4.13Å; L380-L398 HydrophobicContact CD2-CD1 3.76Å; L380-L401 HydrophobicContact CB-CD1 3.73Å; L380-L401 HydrophobicContact CB-CD2 4.38Å; L380-Y403 PolarHBondContact N-O 2.89Å; L380-Y403 VanDerWaalsContact N-O 3.1Å; L380-L404 HydrophobicContact CB-CD1 4.11Å; L380-L404 HydrophobicContact CD2-CD1 3.99Å; L380-L404 HydrophobicContact CG-CD1 3.99Å; L380-Y405 PolarHBondContact O-N 2.98Å; L380-Y405 VanDerWaalsContact O-N 3.1Å
381Y92.7Very high92.9Very high38 Ų3833.3 Ų33.315%0.14916%0.164CC..EExtended strand (participates in β ladder)trans-101.5115.1176.7-55.7-99.2000109.9L355 L356 H357 L358 G359 R379 Y405L355-Y381 HydrophobicContact CD1-CE2 4.22Å; L355-Y381 HydrophobicContact CG-CE2 4.24Å; L356-Y381 PolarHBondContact O-N 3.24Å; H357-Y381 HydrophobicContact CB-CD2 4.13Å; H357-Y381 AromaticContact CD2-CD2 3.73Å; H357-Y381 AromaticContact CD2-CG 3.7Å; H357-Y381 AromaticContact CG-CD2 3.98Å; H357-Y381 AromaticContact CG-CG 3.99Å; H357-Y381 AromaticContact NE2-CG 3.9Å; L358-Y381 CarbonylContact C-O 3.5Å; L358-Y381 VanDerWaalsContact C-O 3.31Å; L358-Y381 VanDerWaalsContact CA-O 3.29Å; L358-Y381 WeakPolarHBondContact CA-O 3.16Å; L358-Y381 WeakPolarHBondContact CB-O 3.3Å; L358-Y381 PolarHBondContact N-O 2.77Å; G359-Y381 PolarHBondContact N-O 3.23Å; G359-Y381 VanDerWaalsContact N-O 3.08Å; R379-Y381 HydrophobicContact CB-CE2 3.82Å; Y381-Y405 AromaticContact CD1-CD2 3.38Å; Y381-Y405 HydrophobicContact CD1-CD2 3.38Å; Y381-Y405 AromaticContact CD1-CE2 3.88Å; Y381-Y405 HydrophobicContact CD1-CE2 3.88Å; Y381-Y405 AromaticContact CD1-CG 3.83Å; Y381-Y405 HydrophobicContact CD1-CG 3.83Å; Y381-Y405 AromaticContact CE1-CD2 3.41Å; Y381-Y405 HydrophobicContact CE1-CD2 3.41Å; Y381-Y405 VanDerWaalsContact CE1-CD2 3.41Å; Y381-Y405 AromaticContact CE1-CE2 3.36Å; Y381-Y405 HydrophobicContact CE1-CE2 3.36Å; Y381-Y405 HydrophobicContact CE1-CG 4.09Å; Y381-Y405 HydrophobicContact CG-CD2 4.04Å; Y381-Y405 AromaticContact CZ-CE2 3.78Å
382L96.6Very high92.8Very high0 Ų034 Ų340%017%0.171CC..  trans-126.713.5177.1-73.9167.4000111.7L358 I363 I366 F371 L380 N385 M387 F395 Y405 L406 N409L358-L382 HydrophobicContact CB-CD2 3.76Å; L358-L382 HydrophobicContact CD1-CD2 4.03Å; I363-L382 HydrophobicContact CD1-CD2 4.14Å; I366-L382 HydrophobicContact CD1-CD1 3.72Å; I366-L382 HydrophobicContact CD1-CD2 3.94Å; F371-L382 HydrophobicContact CZ-CD1 4.39Å; L380-L382 HydrophobicContact CD1-CD1 4.18Å; L380-L382 HydrophobicContact CD1-CG 4.02Å; L380-L382 HydrophobicContact CD2-CD1 3.9Å; L380-L382 HydrophobicContact CG-CD1 3.9Å; L380-L382 HydrophobicContact CG-CG 4.08Å; L382-N385 PolarHBondContact O-ND2 3.25Å; L382-N385 VanDerWaalsContact O-ND2 3.14Å; L382-M387 HydrophobicContact CB-CE 3.9Å; L382-M387 HydrophobicContact CD1-CE 4.46Å; L382-F395 HydrophobicContact CD1-CE1 4.03Å; L382-Y405 CarbonylContact C-O 3.57Å; L382-Y405 WeakPolarHBondContact CA-O 3.47Å; L382-Y405 WeakPolarHBondContact CB-O 3.39Å; L382-Y405 PolarHBondContact N-O 2.97Å; L382-L406 HydrophobicContact CB-CD2 3.76Å; L382-L406 HydrophobicContact CD1-CD2 3.97Å; L382-N409 PolarHBondContact O-ND2 3.42Å
383N91.6Very high92.8Very high20 Ų2036 Ų3611%0.10718%0.178CC..  trans-59.6155.5177.360.8-39.1000113.2G359 N360 N385 Y405 E407G359-N383 CarbonylContact C-O 3.48Å; G359-N383 WeakPolarHBondContact CA-O 3.5Å; G359-N383 VanDerWaalsContact CA-OD1 3.28Å; G359-N383 WeakPolarHBondContact CA-OD1 3.33Å; N360-N383 PolarHBondContact N-O 3.17Å; N383-N385 PolarHBondContact O-N 2.81Å; N383-N385 PolarHBondContact O-ND2 3.05Å; N383-Y405 PolarHBondContact N-O 3.3Å; N383-E407 CarbonylContact C-O 3.19Å; N383-E407 WeakPolarHBondContact CA-O 3.29Å; N383-E407 HydrophobicContact CB-CG 3.89Å; N383-E407 WeakPolarHBondContact CB-OE1 3.24Å
384G85.1Confident93.1Very high20 Ų2034.5 Ų34.521%0.20617%0.17CC..SBendtrans60.343.3175.100000113.9N360 N361 E407 Y408N360-G384 WeakPolarHBondContact CA-O 3.36Å; N361-G384 PolarHBondContact N-O 2.9Å; G384-E407 PolarHBondContact N-O 2.8Å; G384-Y408 WeakPolarHBondContact CA-O 3.47Å
385N94.4Very high93.2Very high5 Ų534.5 Ų34.53%0.02717%0.17CC..SBendtrans-123.1-167.4-178.4-88.6-73.5000111.1L358 N361 R362 I363 L382 N383 Y408 N409L358-N385 PolarHBondContact O-ND2 3.19Å; N361-N385 WeakPolarHBondContact CA-OD1 3.3Å; N361-N385 WeakPolarHBondContact CB-OD1 3.37Å; N361-N385 PolarHBondContact N-OD1 2.76Å; R362-N385 PolarHBondContact N-OD1 2.81Å; I363-N385 HydrophobicContact CB-CB 4.31Å; I363-N385 VanDerWaalsContact CB-OD1 3.28Å; I363-N385 WeakPolarHBondContact CB-OD1 3.18Å; I363-N385 WeakPolarHBondContact CG1-OD1 3.38Å; I363-N385 PolarHBondContact N-OD1 2.86Å; L382-N385 PolarHBondContact O-ND2 3.25Å; L382-N385 VanDerWaalsContact O-ND2 3.14Å; N383-N385 PolarHBondContact O-N 2.81Å; N383-N385 PolarHBondContact O-ND2 3.05Å; N385-Y408 PolarHBondContact N-O 3.45Å; N385-N409 WeakPolarHBondContact CA-OD1 3.36Å; N385-N409 WeakPolarHBondContact CB-OD1 3.49Å
386L95Very high93.4Very high75 Ų7534.9 Ų34.939%0.39317%0.167SC..  trans-121.319.7-168.9-61.9177.4000113.3R362 I363 N409 K410R362-L386 HydrophobicContact CB-CD1 4.14Å; I363-L386 CarbonylContact O-C 3.59Å; I363-L386 VanDerWaalsContact O-C 3.29Å; I363-L386 WeakPolarHBondContact O-CA 3.35Å; I363-L386 PolarHBondContact O-N 3.14Å; L386-N409 PolarHBondContact N-OD1 2.77Å; L386-K410 HydrophobicContact CD2-CD 4.35Å
387M96.2Very high93.4Very high1 Ų131.6 Ų31.61%0.00515%0.151CC..  trans-69.4135.9-176.4-60.9-175.1-72.300111.7I363 I366 L382 L406 N409 K410 I411I363-M387 HydrophobicContact CG2-CG 4.29Å; I363-M387 HydrophobicContact CG2-SD 4.35Å; I363-M387 WeakPolarHBondContact O-CG 3.37Å; I363-M387 PolarHBondContact O-N 3.26Å; I366-M387 HydrophobicContact CD1-SD 3.6Å; I366-M387 HydrophobicContact CG1-SD 4.04Å; L382-M387 HydrophobicContact CB-CE 3.9Å; L382-M387 HydrophobicContact CD1-CE 4.46Å; M387-L406 HydrophobicContact CE-CD2 3.58Å; M387-N409 VanDerWaalsContact CE-OD1 3.27Å; M387-N409 WeakPolarHBondContact CE-OD1 3.29Å; M387-N409 PolarHBondContact N-OD1 3.32Å; M387-K410 CarbonylContact O-C 3.59Å; M387-K410 WeakPolarHBondContact O-CA 3.49Å; M387-K410 PolarHBondContact O-N 3.16Å; M387-I411 HydrophobicContact CB-CG1 4.4Å; M387-I411 PolarHBondContact O-N 3.11Å; M387-I411 VanDerWaalsContact O-N 3.15Å
388D94.1Very high93.4Very high53 Ų5331.6 Ų31.628%0.28315%0.151SC..  trans-101.3-19.7-178.787-48.4000114.5I411 K412D388-I411 WeakPolarHBondContact O-CA 3.32Å; D388-K412 PolarHBondContact O-N 3.18Å
389R94.8Very high93.5Very high113 Ų11332.4 Ų32.443%0.42616%0.159SC..EExtended strand (participates in β ladder)trans-152.3160-177.370.1-167.960.8-114.5-11.1111.4E413R389-E413 WeakPolarHBondContact CA-O 3.3Å; R389-E413 IonicContact NH1-OE2 3.43Å
390L96.3Very high93.7Very high2 Ų231.9 Ų31.91%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-115.4132.7165.4-52.2176.5000109.7M394 F395 L406 I411 E413 V414 E415 T418 F419 L430L390-M394 HydrophobicContact CD2-CE 4.44Å; L390-M394 HydrophobicContact CD2-SD 3.83Å; L390-F395 HydrophobicContact CD1-CE2 4.35Å; L390-F395 HydrophobicContact CD2-CE2 4.34Å; L390-F395 HydrophobicContact CD2-CZ 4.29Å; L390-L406 HydrophobicContact CD1-CD1 3.9Å; L390-L406 HydrophobicContact CD2-CD2 4.4Å; L390-I411 HydrophobicContact CD1-CD1 4.28Å; L390-I411 HydrophobicContact CD2-CD1 3.95Å; L390-I411 HydrophobicContact CD2-CG1 4.5Å; L390-I411 HydrophobicContact CG-CD1 4.16Å; L390-I411 HydrophobicContact CG-CG2 4.04Å; L390-E413 PolarHBondContact N-O 2.89Å; L390-E413 VanDerWaalsContact N-O 3.11Å; L390-V414 HydrophobicContact CB-CG1 4.32Å; L390-V414 HydrophobicContact CD1-CG1 4.35Å; L390-V414 HydrophobicContact CD1-CG2 4.02Å; L390-V414 HydrophobicContact CG-CG2 4.47Å; L390-E415 WeakPolarHBondContact O-CB 3.42Å; L390-E415 PolarHBondContact O-N 3.32Å; L390-T418 HydrophobicContact CB-CG2 3.69Å; L390-T418 HydrophobicContact CD1-CG2 4.26Å; L390-T418 PolarHBondContact O-OG1 3.16Å; L390-F419 HydrophobicContact CD1-CE1 4.26Å; L390-F419 HydrophobicContact CD1-CZ 4.07Å; L390-L430 HydrophobicContact CD1-CD2 4.35Å
391T94.5Very high93.7Very high31 Ų3131.9 Ų31.919%0.1916%0.161CC..  trans-98.5163.1-179.762.30000112.2D368 E393 M394 E415 T418D368-T391 PolarHBondContact OD1-OG1 3.17Å; T391-E393 VanDerWaalsContact C-N 3.28Å; T391-E393 PolarHBondContact O-N 3.23Å; T391-M394 WeakPolarHBondContact OG1-CB 3.42Å; T391-E415 VanDerWaalsContact CA-OE2 3.24Å; T391-E415 WeakPolarHBondContact CA-OE2 3.42Å; T391-E415 WeakPolarHBondContact CB-OE2 3.27Å; T391-T418 VanDerWaalsContact C-OG1 3.24Å; T391-T418 PolarHBondContact O-OG1 3.1Å
392G91.6Very high93.6Very high14 Ų1432.2 Ų32.214%0.14416%0.164CC..THydrogen-bonded Turntrans-63.2-28.2-177.400000114.7E415G392-E415 PolarHBondContact N-OE2 2.8Å
393E93.3Very high93.2Very high51 Ų5134.8 Ų34.824%0.23817%0.174CC..THydrogen-bonded Turntrans-110.10.9-173.7-68.3-85-178.900113.1D368 R369 T391 F395 F396D368-E393 HydrophobicContact CB-CB 3.76Å; R369-E393 HydrophobicContact CG-CB 4.44Å; R369-E393 IonicContact CZ-OE1 2.67Å; R369-E393 IonicContact CZ-OE2 3.82Å; R369-E393 VanDerWaalsContact CZ-OE2 3.23Å; R369-E393 PolarHBondContact N-O 3.47Å; R369-E393 IonicContact NE-OE2 3.07Å; R369-E393 PolarHBondContact NE-OE2 2.81Å; R369-E393 IonicContact NH2-OE1 2.82Å; R369-E393 PolarHBondContact NH2-OE1 3.2Å; R369-E393 IonicContact NH2-OE2 3.64Å; R369-E393 PolarHBondContact NH2-OE2 2.86Å; T391-E393 VanDerWaalsContact C-N 3.28Å; T391-E393 PolarHBondContact O-N 3.23Å; E393-F395 PolarHBondContact O-N 3.35Å; E393-F396 VanDerWaalsContact O-CB 3.31Å; E393-F396 WeakPolarHBondContact O-CB 3.48Å; E393-F396 PolarHBondContact O-N 3.38Å; E393-F396 VanDerWaalsContact OE2-CD2 3.28Å; E393-F396 WeakPolarHBondContact OE2-CD2 3.21Å
394M94.7Very high93.5Very high7 Ų733.9 Ų33.93%0.03417%0.169CC..THydrogen-bonded Turntrans-56.5-48.3-179.5-174.1175-72.300112.6I366 F371 L390 T391I366-M394 HydrophobicContact CB-CE 4.13Å; I366-M394 HydrophobicContact CB-CG 3.93Å; I366-M394 HydrophobicContact CB-SD 4.13Å; I366-M394 HydrophobicContact CD1-CG 4.36Å; I366-M394 HydrophobicContact CD1-SD 4.01Å; I366-M394 HydrophobicContact CG1-SD 4.5Å; I366-M394 HydrophobicContact CG2-CG 3.86Å; F371-M394 WeakPolarHBondContact CD2-O 3.47Å; L390-M394 HydrophobicContact CD2-CE 4.44Å; L390-M394 HydrophobicContact CD2-SD 3.83Å; T391-M394 WeakPolarHBondContact OG1-CB 3.42Å
395F95.6Very high93.8Very high0 Ų034.7 Ų34.70%017%0.166CC..THydrogen-bonded Turntrans-96.317.3-176.7-57.6-65.9000113.6F371 L380 L382 L390 E393 G397 L398 L404 L406 T418 F419 L422F371-F395 HydrophobicContact CD2-CD1 4.24Å; F371-F395 HydrophobicContact CE2-CD1 4.18Å; F371-F395 HydrophobicContact CE2-CE1 4.3Å; L380-F395 HydrophobicContact CD2-CD1 4.21Å; L380-F395 HydrophobicContact CD2-CE1 4.13Å; L382-F395 HydrophobicContact CD1-CE1 4.03Å; L390-F395 HydrophobicContact CD1-CE2 4.35Å; L390-F395 HydrophobicContact CD2-CE2 4.34Å; L390-F395 HydrophobicContact CD2-CZ 4.29Å; E393-F395 PolarHBondContact O-N 3.35Å; F395-G397 PolarHBondContact O-N 2.84Å; F395-L398 HydrophobicContact CB-CD1 4.14Å; F395-L398 HydrophobicContact CD1-CD1 3.93Å; F395-L398 PolarHBondContact O-N 2.76Å; F395-L404 HydrophobicContact CE1-CD1 4.1Å; F395-L404 HydrophobicContact CE1-CD2 4.18Å; F395-L404 HydrophobicContact CE2-CD2 4.38Å; F395-L404 HydrophobicContact CZ-CD1 4.47Å; F395-L404 HydrophobicContact CZ-CD2 4.11Å; F395-L406 HydrophobicContact CZ-CD1 4.13Å; F395-L406 HydrophobicContact CZ-CD2 4.28Å; F395-T418 HydrophobicContact CD2-CG2 3.6Å; F395-T418 HydrophobicContact CE2-CG2 3.63Å; F395-F419 HydrophobicContact CD2-CD1 4.23Å; F395-F419 HydrophobicContact CD2-CE1 4.32Å; F395-F419 HydrophobicContact CE2-CD1 4.4Å; F395-F419 HydrophobicContact CE2-CE1 4.03Å; F395-L422 HydrophobicContact CB-CD1 4.2Å; F395-L422 HydrophobicContact CB-CD2 4.07Å; F395-L422 HydrophobicContact CB-CG 4.28Å; F395-L422 HydrophobicContact CG-CD1 4.38Å
396F94.7Very high93.9Very high61 Ų6134.4 Ų34.427%0.26817%0.165SC..THydrogen-bonded Turntrans-55.2136175.2-179.8-82.4000111R369 F371 G372 E393 Y421R369-F396 HydrophobicContact CB-CB 4.28Å; R369-F396 HydrophobicContact CB-CD1 4.07Å; R369-F396 HydrophobicContact CB-CG 4.37Å; R369-F396 HydrophobicContact CG-CB 3.82Å; R369-F396 HydrophobicContact CG-CD1 3.88Å; R369-F396 HydrophobicContact CG-CD2 4.44Å; R369-F396 HydrophobicContact CG-CG 3.79Å; F371-F396 CarbonylContact C-O 3.16Å; G372-F396 VanDerWaalsContact CA-O 3.29Å; G372-F396 WeakPolarHBondContact CA-O 3.33Å; G372-F396 PolarHBondContact N-O 2.81Å; E393-F396 VanDerWaalsContact O-CB 3.31Å; E393-F396 WeakPolarHBondContact O-CB 3.48Å; E393-F396 PolarHBondContact O-N 3.38Å; E393-F396 VanDerWaalsContact OE2-CD2 3.28Å; E393-F396 WeakPolarHBondContact OE2-CD2 3.21Å; F396-Y421 HydrophobicContact CB-CD2 4.34Å; F396-Y421 AromaticContact CD2-CD1 3.97Å; F396-Y421 HydrophobicContact CD2-CD1 3.97Å; F396-Y421 HydrophobicContact CD2-CD2 4.27Å; F396-Y421 AromaticContact CD2-CE1 3.71Å; F396-Y421 HydrophobicContact CD2-CE1 3.71Å; F396-Y421 HydrophobicContact CD2-CE2 4.04Å; F396-Y421 HydrophobicContact CD2-CG 4.26Å; F396-Y421 AromaticContact CD2-CZ 3.76Å; F396-Y421 HydrophobicContact CE2-CD1 4.36Å; F396-Y421 AromaticContact CE2-CE1 3.9Å; F396-Y421 HydrophobicContact CE2-CE1 3.9Å
397G90.1Very high93.4Very high5 Ų531.7 Ų31.75%0.05215%0.15CC..THydrogen-bonded Turntrans95.2-19.2177.200000115.7F395 Q399F395-G397 PolarHBondContact O-N 2.84Å; G397-Q399 PolarHBondContact O-N 2.94Å
398L95.2Very high93Very high0 Ų034.8 Ų34.80%016%0.162CC..  trans-78.752.5-171.9-67.3-178.3000114.6F371 L374 L377 L380 F395 N400 L401 L422F371-L398 HydrophobicContact CB-CD1 3.95Å; F371-L398 HydrophobicContact CB-CD2 3.82Å; F371-L398 HydrophobicContact CB-CG 3.81Å; F371-L398 HydrophobicContact CD2-CD1 3.85Å; F371-L398 HydrophobicContact CG-CD1 4.1Å; F371-L398 HydrophobicContact CG-CG 4.49Å; L374-L398 HydrophobicContact CB-CD2 3.87Å; L377-L398 HydrophobicContact CB-CD2 3.85Å; L377-L398 HydrophobicContact CD2-CD2 3.56Å; L377-L398 HydrophobicContact CG-CD2 4.32Å; L380-L398 HydrophobicContact CD2-CD1 3.76Å; F395-L398 HydrophobicContact CB-CD1 4.14Å; F395-L398 HydrophobicContact CD1-CD1 3.93Å; F395-L398 PolarHBondContact O-N 2.76Å; L398-N400 VanDerWaalsContact C-N 3.34Å; L398-N400 PolarHBondContact O-N 2.93Å; L398-L401 HydrophobicContact CB-CB 4.23Å; L398-L401 HydrophobicContact CD1-CD2 4.23Å; L398-L401 WeakPolarHBondContact O-CB 3.45Å; L398-L401 PolarHBondContact O-N 2.91Å; L398-L422 HydrophobicContact CB-CD2 3.43Å; L398-L422 VanDerWaalsContact CB-CD2 3.43Å; L398-L422 HydrophobicContact CD1-CD2 4.39Å; L398-L422 WeakPolarHBondContact O-CD2 3.36Å
399Q91.8Very high93Very high114 Ų11432.8 Ų32.853%0.53315%0.151SC..THydrogen-bonded Turntrans-63-32.7-169.6-64.8-179.26.300114.5G397 N424G397-Q399 PolarHBondContact O-N 2.94Å; Q399-N424 PolarHBondContact O-ND2 3.07Å
400N93.6Very high93Very high59 Ų5932.6 Ų32.632%0.31615%0.154SC..THydrogen-bonded Turntrans-96.89.5-178.3-72.5-65.3000114.1T375 L377 L398 Q402T375-N400 PolarHBondContact O-ND2 3.06Å; L377-N400 CarbonylContact O-C 3.09Å; L398-N400 VanDerWaalsContact C-N 3.34Å; L398-N400 PolarHBondContact O-N 2.93Å; N400-Q402 PolarHBondContact O-N 3.13Å
401L96.4Very high93.1Very high0 Ų032.5 Ų32.50%015%0.153CC..  trans-67.7127.6-176.6-162.975.9000110.8L377 L380 L398 L404 L422 N424 L425L377-L401 HydrophobicContact CD2-CD1 4.05Å; L377-L401 HydrophobicContact CG-CD1 4.12Å; L377-L401 WeakPolarHBondContact O-CA 3.39Å; L377-L401 PolarHBondContact O-N 3.37Å; L380-L401 HydrophobicContact CB-CD1 3.73Å; L380-L401 HydrophobicContact CB-CD2 4.38Å; L398-L401 HydrophobicContact CB-CB 4.23Å; L398-L401 HydrophobicContact CD1-CD2 4.23Å; L398-L401 WeakPolarHBondContact O-CB 3.45Å; L398-L401 PolarHBondContact O-N 2.91Å; L401-L404 HydrophobicContact CD2-CB 4.02Å; L401-L404 HydrophobicContact CD2-CD1 4.37Å; L401-L404 HydrophobicContact CD2-CD2 4.28Å; L401-L404 HydrophobicContact CD2-CG 4.46Å; L401-L422 HydrophobicContact CB-CD2 4.06Å; L401-L422 HydrophobicContact CD2-CD1 4.25Å; L401-L422 HydrophobicContact CD2-CD2 3.85Å; L401-N424 CarbonylContact O-C 3.53Å; L401-L425 HydrophobicContact CD2-CD1 4.11Å; L401-L425 HydrophobicContact CG-CD1 4.21Å; L401-L425 VanDerWaalsContact O-CA 3.26Å; L401-L425 WeakPolarHBondContact O-CA 3.31Å; L401-L425 PolarHBondContact O-N 2.75Å; L401-L425 VanDerWaalsContact O-N 3.11Å
402Q89.5Confident93.1Very high46 Ų4636.6 Ų36.622%0.21517%0.168CC..  trans-111.3-33.3-178.1-69.2175.9-4700111.6R378 N400 Q426 L427R378-Q402 PolarHBondContact O-N 3.23Å; N400-Q402 PolarHBondContact O-N 3.13Å; Q402-Q426 PolarHBondContact O-N 2.68Å; Q402-L427 PolarHBondContact O-N 3.21Å
403Y89.7Confident93.2Very high54 Ų5441.3 Ų41.321%0.21219%0.187CC..EExtended strand (participates in β ladder)trans-129.7123.7-175.9-53.1-96.8000110.6R378 R379 L380 L427R378-Y403 PolarHBondContact O-N 2.94Å; R379-Y403 HydrophobicContact CG-CD2 3.88Å; R379-Y403 HydrophobicContact CG-CG 4.38Å; L380-Y403 PolarHBondContact N-O 2.89Å; L380-Y403 VanDerWaalsContact N-O 3.1Å; Y403-L427 HydrophobicContact CD1-CB 3.82Å; Y403-L427 HydrophobicContact CD1-CD1 4.14Å; Y403-L427 HydrophobicContact CD1-CD2 4.48Å; Y403-L427 HydrophobicContact CD1-CG 4.37Å; Y403-L427 HydrophobicContact CE1-CB 4.37Å; Y403-L427 HydrophobicContact CE1-CD1 4.5Å
404L96.8Very high93.4Very high0 Ų039.2 Ų39.20%018%0.178CC..EExtended strand (participates in β ladder)trans-129.3116.3177.5179.853.3000110.7L380 F395 L401 L406 F419 L422 L425 L427 L428 F429L380-L404 HydrophobicContact CB-CD1 4.11Å; L380-L404 HydrophobicContact CD2-CD1 3.99Å; L380-L404 HydrophobicContact CG-CD1 3.99Å; F395-L404 HydrophobicContact CE1-CD1 4.1Å; F395-L404 HydrophobicContact CE1-CD2 4.18Å; F395-L404 HydrophobicContact CE2-CD2 4.38Å; F395-L404 HydrophobicContact CZ-CD1 4.47Å; F395-L404 HydrophobicContact CZ-CD2 4.11Å; L401-L404 HydrophobicContact CD2-CB 4.02Å; L401-L404 HydrophobicContact CD2-CD1 4.37Å; L401-L404 HydrophobicContact CD2-CD2 4.28Å; L401-L404 HydrophobicContact CD2-CG 4.46Å; L404-L406 HydrophobicContact CD1-CD1 4.2Å; L404-L406 HydrophobicContact CD1-CD2 4.44Å; L404-L406 HydrophobicContact CD1-CG 4.05Å; L404-L406 HydrophobicContact CD2-CD1 3.92Å; L404-L406 HydrophobicContact CG-CD1 3.84Å; L404-L406 HydrophobicContact CG-CG 4.06Å; L404-F419 HydrophobicContact CD2-CD1 4.46Å; L404-F419 HydrophobicContact CD2-CE1 4.18Å; L404-L422 HydrophobicContact CD2-CD1 3.93Å; L404-L425 HydrophobicContact CB-CD1 3.79Å; L404-L427 PolarHBondContact N-O 2.98Å; L404-L428 HydrophobicContact CB-CD1 4.24Å; L404-L428 HydrophobicContact CD2-CD1 4.04Å; L404-L428 HydrophobicContact CG-CD1 4.08Å; L404-F429 PolarHBondContact O-N 2.74Å
405Y91.8Very high93.4Very high37 Ų3743.8 Ų43.815%0.14520%0.199CC..EExtended strand (participates in β ladder)trans-108.1115.1-178.2-60.7-86.6000109.8L380 Y381 L382 N383 E407 L427 F429L380-Y405 PolarHBondContact O-N 2.98Å; L380-Y405 VanDerWaalsContact O-N 3.1Å; Y381-Y405 AromaticContact CD1-CD2 3.38Å; Y381-Y405 HydrophobicContact CD1-CD2 3.38Å; Y381-Y405 AromaticContact CD1-CE2 3.88Å; Y381-Y405 HydrophobicContact CD1-CE2 3.88Å; Y381-Y405 AromaticContact CD1-CG 3.83Å; Y381-Y405 HydrophobicContact CD1-CG 3.83Å; Y381-Y405 AromaticContact CE1-CD2 3.41Å; Y381-Y405 HydrophobicContact CE1-CD2 3.41Å; Y381-Y405 VanDerWaalsContact CE1-CD2 3.41Å; Y381-Y405 AromaticContact CE1-CE2 3.36Å; Y381-Y405 HydrophobicContact CE1-CE2 3.36Å; Y381-Y405 HydrophobicContact CE1-CG 4.09Å; Y381-Y405 HydrophobicContact CG-CD2 4.04Å; Y381-Y405 AromaticContact CZ-CE2 3.78Å; L382-Y405 CarbonylContact C-O 3.57Å; L382-Y405 WeakPolarHBondContact CA-O 3.47Å; L382-Y405 WeakPolarHBondContact CB-O 3.39Å; L382-Y405 PolarHBondContact N-O 2.97Å; N383-Y405 PolarHBondContact N-O 3.3Å; Y405-E407 VanDerWaalsContact C-OE2 3.29Å; Y405-E407 WeakPolarHBondContact CA-OE2 3.28Å; Y405-E407 WeakPolarHBondContact CB-OE2 3.5Å; Y405-L427 HydrophobicContact CD1-CD2 4.29Å; Y405-L427 HydrophobicContact CE1-CD2 3.75Å; Y405-F429 HydrophobicContact CD1-CB 4.34Å; Y405-F429 AromaticContact CD1-CD2 3.79Å; Y405-F429 HydrophobicContact CD1-CD2 3.79Å; Y405-F429 HydrophobicContact CD1-CE2 4.47Å; Y405-F429 HydrophobicContact CD1-CG 4.28Å; Y405-F429 AromaticContact CE1-CD2 3.87Å; Y405-F429 HydrophobicContact CE1-CD2 3.87Å; Y405-F429 HydrophobicContact CE1-CE2 4.11Å; Y405-F429 HydrophobicContact CE1-CG 4.48Å
406L95.6Very high93.2Very high0 Ų047 Ų470%023%0.226CC..  trans-129.58.7-176.6-69.7165.2000112.4L382 M387 L390 F395 L404 N409 I411 L428 F429 L430 N433L382-L406 HydrophobicContact CB-CD2 3.76Å; L382-L406 HydrophobicContact CD1-CD2 3.97Å; M387-L406 HydrophobicContact CE-CD2 3.58Å; L390-L406 HydrophobicContact CD1-CD1 3.9Å; L390-L406 HydrophobicContact CD2-CD2 4.4Å; F395-L406 HydrophobicContact CZ-CD1 4.13Å; F395-L406 HydrophobicContact CZ-CD2 4.28Å; L404-L406 HydrophobicContact CD1-CD1 4.2Å; L404-L406 HydrophobicContact CD1-CD2 4.44Å; L404-L406 HydrophobicContact CD1-CG 4.05Å; L404-L406 HydrophobicContact CD2-CD1 3.92Å; L404-L406 HydrophobicContact CG-CD1 3.84Å; L404-L406 HydrophobicContact CG-CG 4.06Å; L406-N409 PolarHBondContact O-ND2 2.79Å; L406-I411 HydrophobicContact CB-CD1 4.24Å; L406-L428 HydrophobicContact CD1-CD1 4.25Å; L406-F429 WeakPolarHBondContact CB-O 3.31Å; L406-F429 PolarHBondContact N-O 2.88Å; L406-L430 HydrophobicContact CB-CD2 3.81Å; L406-L430 HydrophobicContact CD1-CD2 3.84Å; L406-L430 HydrophobicContact CG-CD2 4.49Å; L406-N433 PolarHBondContact O-ND2 3.06Å
407E85.8Confident93Very high18 Ų1845 Ų458%0.08422%0.222CC..  trans-62.5154.5179.564.4-79.8-17700113.3N383 G384 Y405 N409 F429 N431N383-E407 CarbonylContact C-O 3.19Å; N383-E407 WeakPolarHBondContact CA-O 3.29Å; N383-E407 HydrophobicContact CB-CG 3.89Å; N383-E407 WeakPolarHBondContact CB-OE1 3.24Å; G384-E407 PolarHBondContact N-O 2.8Å; Y405-E407 VanDerWaalsContact C-OE2 3.29Å; Y405-E407 WeakPolarHBondContact CA-OE2 3.28Å; Y405-E407 WeakPolarHBondContact CB-OE2 3.5Å; E407-N409 VanDerWaalsContact C-N 3.27Å; E407-N409 PolarHBondContact O-N 3.27Å; E407-N409 PolarHBondContact O-ND2 3.4Å; E407-F429 VanDerWaalsContact OE2-CB 3.3Å; E407-F429 WeakPolarHBondContact OE2-CB 3.45Å; E407-N431 WeakPolarHBondContact CA-O 3.44Å; E407-N431 WeakPolarHBondContact CB-O 3.28Å
408Y87.9Confident93.3Very high66 Ų6644.8 Ų44.826%0.25922%0.219SC..SBendtrans54.938.7-175.4-47.8-83.2000114.4G384 N385 N431 N432 E791 P792G384-Y408 WeakPolarHBondContact CA-O 3.47Å; N385-Y408 PolarHBondContact N-O 3.45Å; Y408-N431 PolarHBondContact N-O 2.98Å; Y408-N432 WeakPolarHBondContact CA-O 3.41Å; Y408-N432 HydrophobicContact CD1-CB 3.72Å; Y408-N432 HydrophobicContact CE1-CB 4.1Å; Y408-N432 WeakPolarHBondContact CE1-ND2 3.44Å; Y408-N432 HydrophobicContact CG-CB 4.25Å; Y408-N432 PolarHBondContact N-O 3.12Å; Y408-E791 HydrophobicContact CE1-CB 4.26Å; Y408-E791 HydrophobicContact CE1-CG 4.15Å; Y408-E791 VanDerWaalsContact OH-CA 3.3Å; Y408-E791 WeakPolarHBondContact OH-CA 3.4Å; Y408-E791 WeakPolarHBondContact OH-CB 3.49Å; Y408-P792 VanDerWaalsContact OH-C 3.31Å; Y408-P792 PolarHBondContact OH-O 2.82Å
409N92.9Very high93.3Very high10 Ų1044.8 Ų44.85%0.05322%0.219CC..SBendtrans-99.8-160.7165.3-83.6-91.8000109.4L382 N385 L386 M387 L406 E407 I411 N433L382-N409 PolarHBondContact O-ND2 3.42Å; N385-N409 WeakPolarHBondContact CA-OD1 3.36Å; N385-N409 WeakPolarHBondContact CB-OD1 3.49Å; L386-N409 PolarHBondContact N-OD1 2.77Å; M387-N409 VanDerWaalsContact CE-OD1 3.27Å; M387-N409 WeakPolarHBondContact CE-OD1 3.29Å; M387-N409 PolarHBondContact N-OD1 3.32Å; L406-N409 PolarHBondContact O-ND2 2.79Å; E407-N409 VanDerWaalsContact C-N 3.27Å; E407-N409 PolarHBondContact O-N 3.27Å; E407-N409 PolarHBondContact O-ND2 3.4Å; N409-I411 HydrophobicContact CB-CD1 3.93Å; N409-I411 HydrophobicContact CB-CG1 3.76Å; N409-N433 WeakPolarHBondContact CA-OD1 3.25Å; N409-N433 VanDerWaalsContact CB-OD1 3.24Å; N409-N433 WeakPolarHBondContact CB-OD1 3.47Å; N409-N433 PolarHBondContact O-OD1 3.12Å
410K95.1Very high93.4Very high109 Ų10947.3 Ų47.347%0.47422%0.224SC..  trans-127.930.2178.7-60.9-179.1-178.2175.30110.3L386 M387 K412 N433 L434L386-K410 HydrophobicContact CD2-CD 4.35Å; M387-K410 CarbonylContact O-C 3.59Å; M387-K410 WeakPolarHBondContact O-CA 3.49Å; M387-K410 PolarHBondContact O-N 3.16Å; K410-K412 PolarHBondContact O-N 3.35Å; K410-N433 PolarHBondContact N-OD1 2.92Å; K410-L434 HydrophobicContact CB-CD1 4.26Å
411I97.6Very high93.3Very high0 Ų047.7 Ų47.70%022%0.221CC..  trans-69121.2-170.3-53.2165000108.4M387 D388 L390 L406 N409 E413 V414 L430 N433 L434 L435M387-I411 HydrophobicContact CB-CG1 4.4Å; M387-I411 PolarHBondContact O-N 3.11Å; M387-I411 VanDerWaalsContact O-N 3.15Å; D388-I411 WeakPolarHBondContact O-CA 3.32Å; L390-I411 HydrophobicContact CD1-CD1 4.28Å; L390-I411 HydrophobicContact CD2-CD1 3.95Å; L390-I411 HydrophobicContact CD2-CG1 4.5Å; L390-I411 HydrophobicContact CG-CD1 4.16Å; L390-I411 HydrophobicContact CG-CG2 4.04Å; L406-I411 HydrophobicContact CB-CD1 4.24Å; N409-I411 HydrophobicContact CB-CD1 3.93Å; N409-I411 HydrophobicContact CB-CG1 3.76Å; I411-E413 WeakPolarHBondContact CG2-O 3.46Å; I411-V414 HydrophobicContact CG2-CG2 4.4Å; I411-L430 HydrophobicContact CD1-CD2 4.19Å; I411-N433 HydrophobicContact CB-CB 4.47Å; I411-N433 WeakPolarHBondContact CB-OD1 3.48Å; I411-N433 VanDerWaalsContact CG1-OD1 3.31Å; I411-N433 WeakPolarHBondContact CG1-OD1 3.34Å; I411-N433 PolarHBondContact N-OD1 3.14Å; I411-L434 CarbonylContact O-C 3.31Å; I411-L434 VanDerWaalsContact O-CA 3.29Å; I411-L434 WeakPolarHBondContact O-CA 3.49Å; I411-L434 PolarHBondContact O-N 3.15Å; I411-L435 HydrophobicContact CB-CD2 4.24Å; I411-L435 HydrophobicContact CG2-CD2 3.66Å; I411-L435 PolarHBondContact O-N 3.43Å
412K95.6Very high93.3Very high117 Ų11747.7 Ų47.751%0.50922%0.221SC..  trans-103.1-24.8179.6-64.8156.7-168.91670112.7D388 K410 L434D388-K412 PolarHBondContact O-N 3.18Å; K410-K412 PolarHBondContact O-N 3.35Å; K412-L434 HydrophobicContact CG-CB 3.8Å; K412-L434 HydrophobicContact CG-CD1 4.2Å
413E94.4Very high93.4Very high114 Ų11448.4 Ų48.453%0.53323%0.23SC..EExtended strand (participates in β ladder)trans-147.1139.5-167.9-175.4175.5-158.700109.8R389 L390 I411R389-E413 WeakPolarHBondContact CA-O 3.3Å; R389-E413 IonicContact NH1-OE2 3.43Å; L390-E413 PolarHBondContact N-O 2.89Å; L390-E413 VanDerWaalsContact N-O 3.11Å; I411-E413 WeakPolarHBondContact CG2-O 3.46Å
414V96.5Very high93.5Very high7 Ų749.5 Ų49.54%0.04224%0.24CC..EExtended strand (participates in β ladder)trans-119.7128.6171-177.90000107L390 I411 T418 F419 L435 L438 P439 I442L390-V414 HydrophobicContact CB-CG1 4.32Å; L390-V414 HydrophobicContact CD1-CG1 4.35Å; L390-V414 HydrophobicContact CD1-CG2 4.02Å; L390-V414 HydrophobicContact CG-CG2 4.47Å; I411-V414 HydrophobicContact CG2-CG2 4.4Å; V414-T418 HydrophobicContact CG1-CG2 4.14Å; V414-F419 HydrophobicContact CG1-CE2 4.27Å; V414-F419 HydrophobicContact CG1-CZ 4.35Å; V414-L435 HydrophobicContact CG2-CD2 3.77Å; V414-L438 HydrophobicContact CG2-CD2 4.38Å; V414-P439 WeakPolarHBondContact O-CD 3.06Å; V414-P439 WeakPolarHBondContact O-CG 3.4Å; V414-I442 HydrophobicContact CG1-CD1 3.72Å; V414-I442 HydrophobicContact CG1-CG1 4.32Å
415E95Very high93.4Very high102 Ų10249.5 Ų49.548%0.47724%0.24SC..  trans-73.8149.5179.6-168.9174-168.900111.8L390 T391 G392 G417 T418L390-E415 WeakPolarHBondContact O-CB 3.42Å; L390-E415 PolarHBondContact O-N 3.32Å; T391-E415 VanDerWaalsContact CA-OE2 3.24Å; T391-E415 WeakPolarHBondContact CA-OE2 3.42Å; T391-E415 WeakPolarHBondContact CB-OE2 3.27Å; G392-E415 PolarHBondContact N-OE2 2.8Å; E415-G417 PolarHBondContact O-N 3.4Å; E415-T418 PolarHBondContact O-N 2.75Å; E415-T418 PolarHBondContact O-OG1 3.19Å; E415-T418 VanDerWaalsContact O-OG1 3.11Å
416A91.6Very high93.2Very high69 Ų6951.5 Ų51.557%0.5725%0.25SS*.THydrogen-bonded Turntrans-60.7114.4177.400000110.9P439A416-P439 HydrophobicContact CB-CB 4.02Å; A416-P439 HydrophobicContact CB-CG 4.46Å
417G91Very high92.8Very high18 Ų1852 Ų5219%0.18625%0.253CS..THydrogen-bonded Turntrans93.67.117900000116E415 F419 R420E415-G417 PolarHBondContact O-N 3.4Å; G417-F419 PolarHBondContact O-N 3.17Å; G417-R420 WeakPolarHBondContact O-CB 3.34Å; G417-R420 PolarHBondContact O-N 2.94Å
418T95.4Very high93.3Very high0 Ų051.1 Ų51.10%025%0.249CC..THydrogen-bonded Turntrans-44.4-39.2173-72.80000114.1L390 T391 F395 V414 E415L390-T418 HydrophobicContact CB-CG2 3.69Å; L390-T418 HydrophobicContact CD1-CG2 4.26Å; L390-T418 PolarHBondContact O-OG1 3.16Å; T391-T418 VanDerWaalsContact C-OG1 3.24Å; T391-T418 PolarHBondContact O-OG1 3.1Å; F395-T418 HydrophobicContact CD2-CG2 3.6Å; F395-T418 HydrophobicContact CE2-CG2 3.63Å; V414-T418 HydrophobicContact CG1-CG2 4.14Å; E415-T418 PolarHBondContact O-N 2.75Å; E415-T418 PolarHBondContact O-OG1 3.19Å; E415-T418 VanDerWaalsContact O-OG1 3.11Å
419F95.4Very high93.4Very high0 Ų048.9 Ų48.90%024%0.241CC..THydrogen-bonded Turntrans-967.8-179.3-48.8-52.7000114.3L390 F395 L404 V414 G417 Y421 L422 L428 L430 I442 F443 L446L390-F419 HydrophobicContact CD1-CE1 4.26Å; L390-F419 HydrophobicContact CD1-CZ 4.07Å; F395-F419 HydrophobicContact CD2-CD1 4.23Å; F395-F419 HydrophobicContact CD2-CE1 4.32Å; F395-F419 HydrophobicContact CE2-CD1 4.4Å; F395-F419 HydrophobicContact CE2-CE1 4.03Å; L404-F419 HydrophobicContact CD2-CD1 4.46Å; L404-F419 HydrophobicContact CD2-CE1 4.18Å; V414-F419 HydrophobicContact CG1-CE2 4.27Å; V414-F419 HydrophobicContact CG1-CZ 4.35Å; G417-F419 PolarHBondContact O-N 3.17Å; F419-Y421 PolarHBondContact O-N 2.7Å; F419-L422 HydrophobicContact CB-CD1 4.17Å; F419-L422 HydrophobicContact CD1-CD1 3.78Å; F419-L422 HydrophobicContact CG-CD1 4.41Å; F419-L422 WeakPolarHBondContact O-CB 3.23Å; F419-L422 PolarHBondContact O-N 2.82Å; F419-L428 HydrophobicContact CD2-CD2 4.21Å; F419-L428 HydrophobicContact CE1-CD1 4.34Å; F419-L428 HydrophobicContact CE1-CD2 4.42Å; F419-L428 HydrophobicContact CE2-CD2 3.72Å; F419-L428 HydrophobicContact CZ-CD1 4.23Å; F419-L428 HydrophobicContact CZ-CD2 3.84Å; F419-L430 HydrophobicContact CZ-CD1 4.41Å; F419-I442 HydrophobicContact CD2-CD1 3.54Å; F419-I442 HydrophobicContact CD2-CG1 3.7Å; F419-I442 HydrophobicContact CE2-CD1 3.84Å; F419-I442 HydrophobicContact CE2-CG1 3.83Å; F419-I442 HydrophobicContact CG-CD1 4.38Å; F419-F443 HydrophobicContact CD2-CD1 4.48Å; F419-F443 HydrophobicContact CD2-CE1 4.43Å; F419-F443 HydrophobicContact CE2-CE1 4.35Å; F419-L446 HydrophobicContact CB-CD1 3.9Å; F419-L446 HydrophobicContact CB-CD2 3.99Å; F419-L446 HydrophobicContact CB-CG 4.36Å; F419-L446 HydrophobicContact CD2-CD1 4.34Å; F419-L446 HydrophobicContact CG-CD1 4.39Å; F419-L446 WeakPolarHBondContact O-CD2 3.39Å
420R93.4Very high93.6Very high168 Ų16848.4 Ų48.463%0.63424%0.238SC*.THydrogen-bonded Turntrans-53-30.4-178.7171.4172.3-84.9175-4.7113.6G417 S445G417-R420 WeakPolarHBondContact O-CB 3.34Å; G417-R420 PolarHBondContact O-N 2.94Å; R420-S445 WeakPolarHBondContact CA-OG 3.43Å
421Y92.8Very high93.3Very high66 Ų6643.6 Ų43.626%0.25922%0.217SC..THydrogen-bonded Turntrans-937.9-175-59.8-74.7000114.2F396 F419 P423F396-Y421 HydrophobicContact CB-CD2 4.34Å; F396-Y421 AromaticContact CD2-CD1 3.97Å; F396-Y421 HydrophobicContact CD2-CD1 3.97Å; F396-Y421 HydrophobicContact CD2-CD2 4.27Å; F396-Y421 AromaticContact CD2-CE1 3.71Å; F396-Y421 HydrophobicContact CD2-CE1 3.71Å; F396-Y421 HydrophobicContact CD2-CE2 4.04Å; F396-Y421 HydrophobicContact CD2-CG 4.26Å; F396-Y421 AromaticContact CD2-CZ 3.76Å; F396-Y421 HydrophobicContact CE2-CD1 4.36Å; F396-Y421 AromaticContact CE2-CE1 3.9Å; F396-Y421 HydrophobicContact CE2-CE1 3.9Å; F419-Y421 PolarHBondContact O-N 2.7Å; Y421-P423 WeakPolarHBondContact O-CD 3.49Å
422L95.3Very high92.8Very high0 Ų044.5 Ų44.50%022%0.222CC..  trans-114.953.4-172.8-54.5-177.1000113.8F395 L398 L401 L404 F419 N424 L425 L446F395-L422 HydrophobicContact CB-CD1 4.2Å; F395-L422 HydrophobicContact CB-CD2 4.07Å; F395-L422 HydrophobicContact CB-CG 4.28Å; F395-L422 HydrophobicContact CG-CD1 4.38Å; L398-L422 HydrophobicContact CB-CD2 3.43Å; L398-L422 VanDerWaalsContact CB-CD2 3.43Å; L398-L422 HydrophobicContact CD1-CD2 4.39Å; L398-L422 WeakPolarHBondContact O-CD2 3.36Å; L401-L422 HydrophobicContact CB-CD2 4.06Å; L401-L422 HydrophobicContact CD2-CD1 4.25Å; L401-L422 HydrophobicContact CD2-CD2 3.85Å; L404-L422 HydrophobicContact CD2-CD1 3.93Å; F419-L422 HydrophobicContact CB-CD1 4.17Å; F419-L422 HydrophobicContact CD1-CD1 3.78Å; F419-L422 HydrophobicContact CG-CD1 4.41Å; F419-L422 WeakPolarHBondContact O-CB 3.23Å; F419-L422 PolarHBondContact O-N 2.82Å; L422-N424 PolarHBondContact O-N 2.88Å; L422-N424 VanDerWaalsContact O-N 3.09Å; L422-L425 HydrophobicContact CB-CB 4.08Å; L422-L425 HydrophobicContact CB-CD2 4.46Å; L422-L425 HydrophobicContact CD1-CD2 4Å; L422-L425 WeakPolarHBondContact O-CB 3.31Å; L422-L425 PolarHBondContact O-N 3.33Å; L422-L425 VanDerWaalsContact O-N 3.1Å; L422-L446 HydrophobicContact CB-CD2 4.06Å; L422-L446 WeakPolarHBondContact O-CD2 3.36Å
423P92Very high92.7Very high61 Ų6139.3 Ų39.340%0.39620%0.2SC..THydrogen-bonded Turntrans-63.2-22.8-169.328.1-36.9000114.8Y421Y421-P423 WeakPolarHBondContact O-CD 3.49Å
424N92Very high92.8Very high77 Ų7736.7 Ų36.741%0.41219%0.19SC..THydrogen-bonded Turntrans-95.97.2-179.7-70.2-68.5000113.9Q399 L401 L422 Q426Q399-N424 PolarHBondContact O-ND2 3.07Å; L401-N424 CarbonylContact O-C 3.53Å; L422-N424 PolarHBondContact O-N 2.88Å; L422-N424 VanDerWaalsContact O-N 3.09Å; N424-Q426 PolarHBondContact O-N 3.12Å
425L95.3Very high92.9Very high0 Ų036.4 Ų36.40%019%0.188CC..  trans-68.7123.4-175.2-166.270000111.3L401 L404 L422 L428 L446 S447 L448L401-L425 HydrophobicContact CD2-CD1 4.11Å; L401-L425 HydrophobicContact CG-CD1 4.21Å; L401-L425 VanDerWaalsContact O-CA 3.26Å; L401-L425 WeakPolarHBondContact O-CA 3.31Å; L401-L425 PolarHBondContact O-N 2.75Å; L401-L425 VanDerWaalsContact O-N 3.11Å; L404-L425 HydrophobicContact CB-CD1 3.79Å; L422-L425 HydrophobicContact CB-CB 4.08Å; L422-L425 HydrophobicContact CB-CD2 4.46Å; L422-L425 HydrophobicContact CD1-CD2 4Å; L422-L425 WeakPolarHBondContact O-CB 3.31Å; L422-L425 PolarHBondContact O-N 3.33Å; L422-L425 VanDerWaalsContact O-N 3.1Å; L425-L428 HydrophobicContact CD2-CB 4.15Å; L425-L446 HydrophobicContact CB-CD2 4.34Å; L425-L446 HydrophobicContact CD2-CD1 4.39Å; L425-S447 CarbonylContact O-C 3.48Å; L425-L448 HydrophobicContact CB-CD2 4.42Å; L425-L448 HydrophobicContact CD2-CD2 4.01Å; L425-L448 HydrophobicContact CG-CD2 3.94Å; L425-L448 PolarHBondContact O-N 3.06Å
426Q86.4Confident92.8Very high79 Ų7937.4 Ų37.437%0.36919%0.19SC..  trans-109-36.1-177.8-69.9174.4-18.500111.8Q402 N424 S449 R450Q402-Q426 PolarHBondContact O-N 2.68Å; N424-Q426 PolarHBondContact O-N 3.12Å; Q426-S449 PolarHBondContact O-N 3.2Å; Q426-R450 PolarHBondContact O-N 3.17Å
427L88.1Confident93Very high11 Ų1138.5 Ų38.56%0.05819%0.19CC..EExtended strand (participates in β ladder)trans-124.8126-179.3-176.5151.5000110.6Q402 Y403 L404 Y405 F429 R450Q402-L427 PolarHBondContact O-N 3.21Å; Y403-L427 HydrophobicContact CD1-CB 3.82Å; Y403-L427 HydrophobicContact CD1-CD1 4.14Å; Y403-L427 HydrophobicContact CD1-CD2 4.48Å; Y403-L427 HydrophobicContact CD1-CG 4.37Å; Y403-L427 HydrophobicContact CE1-CB 4.37Å; Y403-L427 HydrophobicContact CE1-CD1 4.5Å; L404-L427 PolarHBondContact N-O 2.98Å; Y405-L427 HydrophobicContact CD1-CD2 4.29Å; Y405-L427 HydrophobicContact CE1-CD2 3.75Å; L427-F429 HydrophobicContact CD1-CD1 4.48Å; L427-F429 HydrophobicContact CD1-CE1 3.86Å; L427-F429 HydrophobicContact CD1-CZ 4.05Å; L427-F429 HydrophobicContact CD2-CD1 3.61Å; L427-F429 HydrophobicContact CD2-CD2 4.38Å; L427-F429 HydrophobicContact CD2-CE1 3.83Å; L427-F429 HydrophobicContact CD2-CG 3.92Å; L427-F429 HydrophobicContact CD2-CZ 4.31Å; L427-F429 HydrophobicContact CG-CD1 3.96Å; L427-F429 HydrophobicContact CG-CE1 3.79Å; L427-F429 HydrophobicContact CG-CZ 4.41Å; L427-R450 WeakPolarHBondContact CA-O 3.31Å; L427-R450 HydrophobicContact CB-CB 4.37Å; L427-R450 HydrophobicContact CD1-CB 4.3Å; L427-R450 HydrophobicContact CG-CB 4.17Å
428L95.8Very high93.2Very high0 Ų038 Ų380%018%0.183CC..EExtended strand (participates in β ladder)trans-130.7112.6174.6175.458000109.9L404 L406 F419 L425 L430 F443 L448 R450 L451 N452L404-L428 HydrophobicContact CB-CD1 4.24Å; L404-L428 HydrophobicContact CD2-CD1 4.04Å; L404-L428 HydrophobicContact CG-CD1 4.08Å; L406-L428 HydrophobicContact CD1-CD1 4.25Å; F419-L428 HydrophobicContact CD2-CD2 4.21Å; F419-L428 HydrophobicContact CE1-CD1 4.34Å; F419-L428 HydrophobicContact CE1-CD2 4.42Å; F419-L428 HydrophobicContact CE2-CD2 3.72Å; F419-L428 HydrophobicContact CZ-CD1 4.23Å; F419-L428 HydrophobicContact CZ-CD2 3.84Å; L425-L428 HydrophobicContact CD2-CB 4.15Å; L428-L430 HydrophobicContact CD1-CD1 4.17Å; L428-L430 HydrophobicContact CD1-CG 4.07Å; L428-L430 HydrophobicContact CD2-CD1 3.95Å; L428-L430 HydrophobicContact CG-CD1 3.97Å; L428-L430 HydrophobicContact CG-CG 4.19Å; L428-F443 HydrophobicContact CD2-CE1 4.09Å; L428-L448 HydrophobicContact CB-CD1 4.44Å; L428-L448 HydrophobicContact CB-CD2 3.78Å; L428-L448 HydrophobicContact CD2-CD1 4.3Å; L428-R450 PolarHBondContact N-O 3.39Å; L428-R450 VanDerWaalsContact N-O 3.09Å; L428-L451 HydrophobicContact CB-CD1 4.19Å; L428-L451 HydrophobicContact CD2-CD1 4.04Å; L428-L451 HydrophobicContact CG-CD1 4.08Å; L428-L451 WeakPolarHBondContact O-CA 3.47Å; L428-N452 PolarHBondContact O-N 3.15Å
429F90.5Very high93.1Very high19 Ų1939.4 Ų39.48%0.08319%0.192CC..EExtended strand (participates in β ladder)trans-104.2122.9175.2-788.5000110.2L404 Y405 L406 E407 L427 N452L404-F429 PolarHBondContact O-N 2.74Å; Y405-F429 HydrophobicContact CD1-CB 4.34Å; Y405-F429 AromaticContact CD1-CD2 3.79Å; Y405-F429 HydrophobicContact CD1-CD2 3.79Å; Y405-F429 HydrophobicContact CD1-CE2 4.47Å; Y405-F429 HydrophobicContact CD1-CG 4.28Å; Y405-F429 AromaticContact CE1-CD2 3.87Å; Y405-F429 HydrophobicContact CE1-CD2 3.87Å; Y405-F429 HydrophobicContact CE1-CE2 4.11Å; Y405-F429 HydrophobicContact CE1-CG 4.48Å; L406-F429 WeakPolarHBondContact CB-O 3.31Å; L406-F429 PolarHBondContact N-O 2.88Å; E407-F429 VanDerWaalsContact OE2-CB 3.3Å; E407-F429 WeakPolarHBondContact OE2-CB 3.45Å; L427-F429 HydrophobicContact CD1-CD1 4.48Å; L427-F429 HydrophobicContact CD1-CE1 3.86Å; L427-F429 HydrophobicContact CD1-CZ 4.05Å; L427-F429 HydrophobicContact CD2-CD1 3.61Å; L427-F429 HydrophobicContact CD2-CD2 4.38Å; L427-F429 HydrophobicContact CD2-CE1 3.83Å; L427-F429 HydrophobicContact CD2-CG 3.92Å; L427-F429 HydrophobicContact CD2-CZ 4.31Å; L427-F429 HydrophobicContact CG-CD1 3.96Å; L427-F429 HydrophobicContact CG-CE1 3.79Å; L427-F429 HydrophobicContact CG-CZ 4.41Å; F429-N452 HydrophobicContact CD1-CB 3.66Å; F429-N452 HydrophobicContact CE1-CB 4.03Å; F429-N452 HydrophobicContact CG-CB 4.2Å
430L95.7Very high92.9Very high0 Ų045.1 Ų45.10%022%0.22CC..  trans-131.413.1-179.3-77.5166.4000111.6L390 L406 I411 F419 L428 N433 L435 N452 L453 N456L390-L430 HydrophobicContact CD1-CD2 4.35Å; L406-L430 HydrophobicContact CB-CD2 3.81Å; L406-L430 HydrophobicContact CD1-CD2 3.84Å; L406-L430 HydrophobicContact CG-CD2 4.49Å; I411-L430 HydrophobicContact CD1-CD2 4.19Å; F419-L430 HydrophobicContact CZ-CD1 4.41Å; L428-L430 HydrophobicContact CD1-CD1 4.17Å; L428-L430 HydrophobicContact CD1-CG 4.07Å; L428-L430 HydrophobicContact CD2-CD1 3.95Å; L428-L430 HydrophobicContact CG-CD1 3.97Å; L428-L430 HydrophobicContact CG-CG 4.19Å; L430-N433 WeakPolarHBondContact O-CB 3.33Å; L430-N433 PolarHBondContact O-ND2 3.01Å; L430-N433 VanDerWaalsContact O-ND2 3.1Å; L430-L435 HydrophobicContact CB-CD1 4.28Å; L430-L435 HydrophobicContact CD1-CD1 4.34Å; L430-L435 HydrophobicContact CD2-CD1 4.45Å; L430-N452 CarbonylContact C-O 3.37Å; L430-N452 WeakPolarHBondContact CA-O 3.46Å; L430-N452 PolarHBondContact N-O 3.48Å; L430-L453 HydrophobicContact CB-CD2 4.01Å; L430-L453 HydrophobicContact CD1-CD2 4.11Å; L430-N456 PolarHBondContact O-ND2 3.31Å
431N90Very high92.8Very high7 Ų738.1 Ų38.14%0.03720%0.201CC..  trans-64.7159.2179.750.7-66.4000113.2E407 Y408 N433 N452 R454E407-N431 WeakPolarHBondContact CA-O 3.44Å; E407-N431 WeakPolarHBondContact CB-O 3.28Å; Y408-N431 PolarHBondContact N-O 2.98Å; N431-N433 PolarHBondContact O-ND2 2.57Å; N431-N452 PolarHBondContact N-O 3.43Å; N431-R454 CarbonylContact C-O 3.38Å; N431-R454 WeakPolarHBondContact CA-O 3.39Å; N431-R454 HydrophobicContact CB-CB 4.12Å; N431-R454 WeakPolarHBondContact CB-O 3.31Å
432N86.6Confident92.9Very high20 Ų2035.1 Ų35.111%0.10719%0.189CC..SBendtrans54.953.5-176.7-52-63.8000112.2Y408 R454 N455 P792Y408-N432 WeakPolarHBondContact CA-O 3.41Å; Y408-N432 HydrophobicContact CD1-CB 3.72Å; Y408-N432 HydrophobicContact CE1-CB 4.1Å; Y408-N432 WeakPolarHBondContact CE1-ND2 3.44Å; Y408-N432 HydrophobicContact CG-CB 4.25Å; Y408-N432 PolarHBondContact N-O 3.12Å; N432-R454 PolarHBondContact N-O 3.02Å; N432-N455 VanDerWaalsContact CA-O 3.28Å; N432-N455 WeakPolarHBondContact CA-O 3.32Å; N432-N455 PolarHBondContact N-O 3.1Å; N432-N455 PolarHBondContact OD1-ND2 3.02Å; N432-P792 PolarHBondContact ND2-O 3.26Å; N432-P792 WeakPolarHBondContact OD1-CD 3.46Å; N432-P792 VanDerWaalsContact OD1-CG 3.26Å; N432-P792 WeakPolarHBondContact OD1-CG 3.36Å
433N94.5Very high92.8Very high7 Ų735.2 Ų35.24%0.03719%0.19CC..SBendtrans-130.6-168.4177.2-87.7-77.3000110L406 N409 K410 I411 L430 N431 L435 N455 N456L406-N433 PolarHBondContact O-ND2 3.06Å; N409-N433 WeakPolarHBondContact CA-OD1 3.25Å; N409-N433 VanDerWaalsContact CB-OD1 3.24Å; N409-N433 WeakPolarHBondContact CB-OD1 3.47Å; N409-N433 PolarHBondContact O-OD1 3.12Å; K410-N433 PolarHBondContact N-OD1 2.92Å; I411-N433 HydrophobicContact CB-CB 4.47Å; I411-N433 WeakPolarHBondContact CB-OD1 3.48Å; I411-N433 VanDerWaalsContact CG1-OD1 3.31Å; I411-N433 WeakPolarHBondContact CG1-OD1 3.34Å; I411-N433 PolarHBondContact N-OD1 3.14Å; L430-N433 WeakPolarHBondContact O-CB 3.33Å; L430-N433 PolarHBondContact O-ND2 3.01Å; L430-N433 VanDerWaalsContact O-ND2 3.1Å; N431-N433 PolarHBondContact O-ND2 2.57Å; N433-L435 HydrophobicContact CB-CG 4.42Å; N433-N455 PolarHBondContact N-O 3.19Å; N433-N456 WeakPolarHBondContact CA-OD1 3.36Å; N433-N456 WeakPolarHBondContact CB-OD1 3.44Å; N433-N456 PolarHBondContact O-OD1 3.04Å
434L96.3Very high92.7Very high60 Ų6036.4 Ų36.431%0.31420%0.199SC..  trans-121.123.6-174.1-57.2174.9000111.9K410 I411 K412 N456K410-L434 HydrophobicContact CB-CD1 4.26Å; I411-L434 CarbonylContact O-C 3.31Å; I411-L434 VanDerWaalsContact O-CA 3.29Å; I411-L434 WeakPolarHBondContact O-CA 3.49Å; I411-L434 PolarHBondContact O-N 3.15Å; K412-L434 HydrophobicContact CG-CB 3.8Å; K412-L434 HydrophobicContact CG-CD1 4.2Å; L434-N456 PolarHBondContact N-OD1 2.99Å
435L97.3Very high92.4Very high0 Ų034.9 Ų34.90%020%0.195CC..  trans-68.1134.1-175.6-62.3175.4000111I411 V414 L430 N433 N456 Q457 F458I411-L435 HydrophobicContact CB-CD2 4.24Å; I411-L435 HydrophobicContact CG2-CD2 3.66Å; I411-L435 PolarHBondContact O-N 3.43Å; V414-L435 HydrophobicContact CG2-CD2 3.77Å; L430-L435 HydrophobicContact CB-CD1 4.28Å; L430-L435 HydrophobicContact CD1-CD1 4.34Å; L430-L435 HydrophobicContact CD2-CD1 4.45Å; N433-L435 HydrophobicContact CB-CG 4.42Å; L435-N456 HydrophobicContact CB-CB 4.43Å; L435-N456 VanDerWaalsContact CB-OD1 3.29Å; L435-N456 WeakPolarHBondContact CB-OD1 3.46Å; L435-N456 WeakPolarHBondContact CG-OD1 3.41Å; L435-N456 PolarHBondContact N-OD1 2.85Å; L435-Q457 CarbonylContact O-C 3.59Å; L435-Q457 WeakPolarHBondContact O-CA 3.21Å; L435-Q457 WeakPolarHBondContact O-CB 3.39Å; L435-Q457 PolarHBondContact O-N 2.86Å; L435-F458 HydrophobicContact CB-CE1 3.97Å; L435-F458 HydrophobicContact CB-CE2 3.9Å; L435-F458 HydrophobicContact CB-CZ 3.41Å; L435-F458 VanDerWaalsContact CB-CZ 3.41Å; L435-F458 HydrophobicContact CD1-CE2 4.4Å; L435-F458 HydrophobicContact CD1-CZ 3.96Å; L435-F458 HydrophobicContact CG-CZ 4.33Å; L435-F458 PolarHBondContact O-N 3.5Å
436K94.4Very high92.3Very high123 Ų12335.7 Ų35.754%0.53520%0.199SC..  trans-108.7-30.9179-66.7-174.4175.6-167.30114.1Q457 F458K436-Q457 HydrophobicContact CG-CB 3.76Å; K436-F458 VanDerWaalsContact C-CD1 3.48Å; K436-F458 WeakPolarHBondContact O-CD1 3.45Å
437T93.9Very high92.4Very high92 Ų9234.6 Ų34.656%0.56420%0.2SC*.  trans-150.1160.4-177.552.60000108.9
438L95.5Very high92.5Very high9 Ų934.3 Ų34.35%0.04720%0.198CC..  trans-117.9142170.7-70.5175.5000109V414 I442 F443 L453 F458 L461 V466V414-L438 HydrophobicContact CG2-CD2 4.38Å; L438-I442 HydrophobicContact CB-CG2 4.26Å; L438-F443 HydrophobicContact CD1-CE2 4.02Å; L438-F443 HydrophobicContact CD1-CZ 3.79Å; L438-L453 HydrophobicContact CD1-CD1 4.23Å; L438-F458 HydrophobicContact CD1-CZ 4.34Å; L438-F458 HydrophobicContact CD2-CE1 4.5Å; L438-F458 HydrophobicContact CD2-CZ 4.24Å; L438-F458 HydrophobicContact CG-CE1 3.9Å; L438-F458 HydrophobicContact CG-CZ 3.96Å; L438-L461 HydrophobicContact CD1-CD2 4.08Å; L438-L461 HydrophobicContact CG-CD2 4.26Å; L438-V466 HydrophobicContact CB-CG1 4.16Å; L438-V466 HydrophobicContact CB-CG2 4.41Å; L438-V466 HydrophobicContact CD1-CG1 4.05Å
439P94.4Very high91.9Very high28 Ų2836 Ų3618%0.18221%0.211CC..  trans-75.1149.9-178.431.2-35000111.7V414 A416 G441 I442V414-P439 WeakPolarHBondContact O-CD 3.06Å; V414-P439 WeakPolarHBondContact O-CG 3.4Å; A416-P439 HydrophobicContact CB-CB 4.02Å; A416-P439 HydrophobicContact CB-CG 4.46Å; P439-G441 PolarHBondContact O-N 3.35Å; P439-I442 HydrophobicContact CG-CB 4.05Å; P439-I442 HydrophobicContact CG-CD1 4.12Å; P439-I442 HydrophobicContact CG-CG1 4.23Å; P439-I442 VanDerWaalsContact O-CB 3.3Å; P439-I442 WeakPolarHBondContact O-CB 3.42Å; P439-I442 WeakPolarHBondContact O-CG2 3.49Å; P439-I442 PolarHBondContact O-N 3.43Å
440M91.2Very high91.5Very high120 Ų12037.7 Ų37.759%0.59122%0.216SC*.THydrogen-bonded Turntrans-59.4132.2176.8-59.5-69.1-87.100111P462 S464 G465 V466M440-P462 HydrophobicContact SD-CG 4.34Å; M440-S464 VanDerWaalsContact CE-O 3.29Å; M440-S464 WeakPolarHBondContact CE-O 3.25Å; M440-G465 CarbonylContact C-O 3.42Å; M440-V466 HydrophobicContact SD-CG2 4.49Å
441G90.6Very high91.3Very high22 Ų2238 Ų3823%0.22722%0.218CC..THydrogen-bonded Turntrans84.27.3179.900000115.4P439 F443 S444 G465P439-G441 PolarHBondContact O-N 3.35Å; G441-F443 PolarHBondContact O-N 3.18Å; G441-S444 VanDerWaalsContact O-CB 3.31Å; G441-S444 WeakPolarHBondContact O-CB 3.46Å; G441-S444 PolarHBondContact O-N 2.99Å; G441-S444 VanDerWaalsContact O-N 3.12Å; G441-S444 PolarHBondContact O-OG 3.01Å; G441-G465 PolarHBondContact N-O 2.84Å
442I94.8Very high91.1Very high2 Ų237.8 Ų37.81%0.0122%0.217CC..THydrogen-bonded Turntrans-60.3-29.4-173.2-170.153.9000114.3V414 F419 L438 P439 V466V414-I442 HydrophobicContact CG1-CD1 3.72Å; V414-I442 HydrophobicContact CG1-CG1 4.32Å; F419-I442 HydrophobicContact CD2-CD1 3.54Å; F419-I442 HydrophobicContact CD2-CG1 3.7Å; F419-I442 HydrophobicContact CE2-CD1 3.84Å; F419-I442 HydrophobicContact CE2-CG1 3.83Å; F419-I442 HydrophobicContact CG-CD1 4.38Å; L438-I442 HydrophobicContact CB-CG2 4.26Å; P439-I442 HydrophobicContact CG-CB 4.05Å; P439-I442 HydrophobicContact CG-CD1 4.12Å; P439-I442 HydrophobicContact CG-CG1 4.23Å; P439-I442 VanDerWaalsContact O-CB 3.3Å; P439-I442 WeakPolarHBondContact O-CB 3.42Å; P439-I442 WeakPolarHBondContact O-CG2 3.49Å; P439-I442 PolarHBondContact O-N 3.43Å; I442-V466 HydrophobicContact CG2-CG1 4.08Å; I442-V466 HydrophobicContact CG2-CG2 4.41Å
443F93.9Very high91.5Very high3 Ų336.9 Ų36.91%0.01321%0.212CC..THydrogen-bonded Turntrans-106.25.2179.8-53.8-44.6000113.1F419 L428 L438 G441 S445 L446 L448 L451 V466 Q469 L470F419-F443 HydrophobicContact CD2-CD1 4.48Å; F419-F443 HydrophobicContact CD2-CE1 4.43Å; F419-F443 HydrophobicContact CE2-CE1 4.35Å; L428-F443 HydrophobicContact CD2-CE1 4.09Å; L438-F443 HydrophobicContact CD1-CE2 4.02Å; L438-F443 HydrophobicContact CD1-CZ 3.79Å; G441-F443 PolarHBondContact O-N 3.18Å; F443-S445 PolarHBondContact O-N 2.91Å; F443-L446 HydrophobicContact CB-CD1 4.41Å; F443-L446 HydrophobicContact CD1-CD1 3.83Å; F443-L446 PolarHBondContact O-N 3.18Å; F443-L448 HydrophobicContact CD1-CD1 3.86Å; F443-L448 HydrophobicContact CE1-CD1 4.09Å; F443-L448 HydrophobicContact CG-CD1 4.37Å; F443-L451 HydrophobicContact CE2-CD2 3.88Å; F443-L451 HydrophobicContact CZ-CD1 4.26Å; F443-L451 HydrophobicContact CZ-CD2 3.73Å; F443-V466 HydrophobicContact CD2-CG1 3.93Å; F443-V466 HydrophobicContact CE2-CG1 3.68Å; F443-Q469 HydrophobicContact CB-CB 3.93Å; F443-L470 HydrophobicContact CB-CD2 4Å; F443-L470 HydrophobicContact CD2-CD1 4.16Å; F443-L470 HydrophobicContact CD2-CD2 3.55Å; F443-L470 HydrophobicContact CD2-CG 3.91Å; F443-L470 HydrophobicContact CE2-CD1 4.19Å; F443-L470 HydrophobicContact CE2-CD2 4.13Å; F443-L470 HydrophobicContact CE2-CG 4.43Å; F443-L470 HydrophobicContact CG-CD2 3.81Å
444S89.4Confident91.2Very high85 Ų8537 Ų3759%0.59421%0.212SC*.THydrogen-bonded Turntrans-64.9-17.3-168.359.70000115.8G441G441-S444 VanDerWaalsContact O-CB 3.31Å; G441-S444 WeakPolarHBondContact O-CB 3.46Å; G441-S444 PolarHBondContact O-N 2.99Å; G441-S444 VanDerWaalsContact O-N 3.12Å; G441-S444 PolarHBondContact O-OG 3.01Å
445S86.1Confident90.9Very high45 Ų4537.4 Ų37.432%0.31521%0.214SC..THydrogen-bonded Turntrans-108.77.1176.958.40000113.9R420 F443R420-S445 WeakPolarHBondContact CA-OG 3.43Å; F443-S445 PolarHBondContact O-N 2.91Å
446L92Very high90.8Very high18 Ų1837.7 Ų37.79%0.09422%0.216CC..  trans-107.9157.5-170.2-52-175.4000113.2F419 L422 L425 F443 L448F419-L446 HydrophobicContact CB-CD1 3.9Å; F419-L446 HydrophobicContact CB-CD2 3.99Å; F419-L446 HydrophobicContact CB-CG 4.36Å; F419-L446 HydrophobicContact CD2-CD1 4.34Å; F419-L446 HydrophobicContact CG-CD1 4.39Å; F419-L446 WeakPolarHBondContact O-CD2 3.39Å; L422-L446 HydrophobicContact CB-CD2 4.06Å; L422-L446 WeakPolarHBondContact O-CD2 3.36Å; L425-L446 HydrophobicContact CB-CD2 4.34Å; L425-L446 HydrophobicContact CD2-CD1 4.39Å; F443-L446 HydrophobicContact CB-CD1 4.41Å; F443-L446 HydrophobicContact CD1-CD1 3.83Å; F443-L446 PolarHBondContact O-N 3.18Å; L446-L448 HydrophobicContact CB-CG 4.07Å; L446-L448 HydrophobicContact CD1-CD1 3.8Å; L446-L448 HydrophobicContact CD1-CD2 4.5Å; L446-L448 HydrophobicContact CD1-CG 3.95Å
447S88.5Confident90.9Very high55 Ų5535.5 Ų35.539%0.38521%0.207SC..  trans-117.445172-62.50000111L425 S449L425-S447 CarbonylContact O-C 3.48Å; S447-S449 PolarHBondContact O-N 3.32Å
448L91.1Very high91Very high5 Ų531.1 Ų31.13%0.02618%0.181CC..  trans-58.1129.2-175.7-74.4175.4000111.9L425 L428 F443 L446 L451 L470 L472 L473L425-L448 HydrophobicContact CB-CD2 4.42Å; L425-L448 HydrophobicContact CD2-CD2 4.01Å; L425-L448 HydrophobicContact CG-CD2 3.94Å; L425-L448 PolarHBondContact O-N 3.06Å; L428-L448 HydrophobicContact CB-CD1 4.44Å; L428-L448 HydrophobicContact CB-CD2 3.78Å; L428-L448 HydrophobicContact CD2-CD1 4.3Å; F443-L448 HydrophobicContact CD1-CD1 3.86Å; F443-L448 HydrophobicContact CE1-CD1 4.09Å; F443-L448 HydrophobicContact CG-CD1 4.37Å; L446-L448 HydrophobicContact CB-CG 4.07Å; L446-L448 HydrophobicContact CD1-CD1 3.8Å; L446-L448 HydrophobicContact CD1-CD2 4.5Å; L446-L448 HydrophobicContact CD1-CG 3.95Å; L448-L451 HydrophobicContact CD1-CD1 4.48Å; L448-L470 HydrophobicContact CB-CD2 4.32Å; L448-L470 HydrophobicContact CD1-CD2 4.01Å; L448-L472 CarbonylContact O-C 3.17Å; L448-L472 VanDerWaalsContact O-C 3.29Å; L448-L473 PolarHBondContact O-N 2.84Å
449S82.8Confident91Very high37 Ų3736.4 Ų36.426%0.25921%0.205SC..SBendtrans-102.5-32.4171.8-51.20000111.9Q426 S447 V474 Q475Q426-S449 PolarHBondContact O-N 3.2Å; S447-S449 PolarHBondContact O-N 3.32Å; S449-V474 WeakPolarHBondContact O-CA 3.28Å; S449-V474 WeakPolarHBondContact O-CB 3.1Å; S449-V474 PolarHBondContact O-N 2.93Å; S449-Q475 PolarHBondContact O-N 3.43Å
450R81.6Confident90.9Very high54 Ų5437.4 Ų37.420%0.20421%0.209CC..EExtended strand (participates in β ladder)trans-129.5128.1177.6-66.5-174.1156.6160.70.6110.8E187 Q426 L427 L428 Q475E187-R450 IonicContact OE1-NH1 3.83Å; Q426-R450 PolarHBondContact O-N 3.17Å; L427-R450 WeakPolarHBondContact CA-O 3.31Å; L427-R450 HydrophobicContact CB-CB 4.37Å; L427-R450 HydrophobicContact CD1-CB 4.3Å; L427-R450 HydrophobicContact CG-CB 4.17Å; L428-R450 PolarHBondContact N-O 3.39Å; L428-R450 VanDerWaalsContact N-O 3.09Å; R450-Q475 WeakPolarHBondContact CA-O 3.46Å; R450-Q475 HydrophobicContact CG-CB 4.13Å
451L92.3Very high91Very high5 Ų531.9 Ų31.93%0.02618%0.182CC..EExtended strand (participates in β ladder)trans-133.2121.6175.6174.960.8000110.1L428 F443 L448 L453 L470 L473 Q475 I476 D477L428-L451 HydrophobicContact CB-CD1 4.19Å; L428-L451 HydrophobicContact CD2-CD1 4.04Å; L428-L451 HydrophobicContact CG-CD1 4.08Å; L428-L451 WeakPolarHBondContact O-CA 3.47Å; F443-L451 HydrophobicContact CE2-CD2 3.88Å; F443-L451 HydrophobicContact CZ-CD1 4.26Å; F443-L451 HydrophobicContact CZ-CD2 3.73Å; L448-L451 HydrophobicContact CD1-CD1 4.48Å; L451-L453 HydrophobicContact CD1-CD2 4.27Å; L451-L453 HydrophobicContact CD1-CG 4.24Å; L451-L453 HydrophobicContact CD2-CD1 4.16Å; L451-L453 HydrophobicContact CD2-CG 4.49Å; L451-L453 HydrophobicContact CG-CD1 4.37Å; L451-L453 HydrophobicContact CG-CG 4.16Å; L451-L470 HydrophobicContact CD2-CD1 3.79Å; L451-L470 HydrophobicContact CD2-CD2 4.31Å; L451-L473 HydrophobicContact CB-CD1 4.13Å; L451-Q475 PolarHBondContact N-O 3.36Å; L451-Q475 VanDerWaalsContact N-O 3.07Å; L451-I476 HydrophobicContact CB-CG1 4.33Å; L451-I476 HydrophobicContact CD2-CD1 4.04Å; L451-I476 HydrophobicContact CD2-CG1 4.41Å; L451-I476 HydrophobicContact CG-CG1 4.39Å; L451-I476 VanDerWaalsContact O-CA 3.3Å; L451-I476 WeakPolarHBondContact O-CA 3.44Å; L451-D477 PolarHBondContact O-N 3.4Å
452N86.6Confident91.1Very high4 Ų433.3 Ų33.32%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-112.1121.3174.5-163.9-22.9000111.3L428 F429 L430 N431 R454 D477L428-N452 PolarHBondContact O-N 3.15Å; F429-N452 HydrophobicContact CD1-CB 3.66Å; F429-N452 HydrophobicContact CE1-CB 4.03Å; F429-N452 HydrophobicContact CG-CB 4.2Å; L430-N452 CarbonylContact C-O 3.37Å; L430-N452 WeakPolarHBondContact CA-O 3.46Å; L430-N452 PolarHBondContact N-O 3.48Å; N431-N452 PolarHBondContact N-O 3.43Å; N452-R454 VanDerWaalsContact OD1-CB 3.24Å; N452-R454 WeakPolarHBondContact OD1-CB 3.5Å; N452-R454 PolarHBondContact OD1-N 2.03Å; N452-D477 PolarHBondContact OD1-OD2 3.06Å
453L94.8Very high90.9Very high0 Ų035 Ų350%020%0.197CC..  trans-120.89.7176.3-63173.4000112.9L430 L438 L451 N456 F458 L461 D477 L478 N481L430-L453 HydrophobicContact CB-CD2 4.01Å; L430-L453 HydrophobicContact CD1-CD2 4.11Å; L438-L453 HydrophobicContact CD1-CD1 4.23Å; L451-L453 HydrophobicContact CD1-CD2 4.27Å; L451-L453 HydrophobicContact CD1-CG 4.24Å; L451-L453 HydrophobicContact CD2-CD1 4.16Å; L451-L453 HydrophobicContact CD2-CG 4.49Å; L451-L453 HydrophobicContact CG-CD1 4.37Å; L451-L453 HydrophobicContact CG-CG 4.16Å; L453-N456 PolarHBondContact O-ND2 2.97Å; L453-F458 HydrophobicContact CB-CD2 4.47Å; L453-F458 HydrophobicContact CB-CE2 4.01Å; L453-F458 HydrophobicContact CD1-CE2 4.25Å; L453-F458 HydrophobicContact CD2-CE2 3.98Å; L453-F458 HydrophobicContact CD2-CZ 4.25Å; L453-F458 HydrophobicContact CG-CE2 4.31Å; L453-L461 HydrophobicContact CD1-CD1 4Å; L453-D477 PolarHBondContact N-O 3.07Å; L453-L478 HydrophobicContact CB-CD2 4.27Å; L453-L478 HydrophobicContact CD1-CD2 4.02Å; L453-N481 PolarHBondContact O-ND2 3.48Å
454R88.8Confident90.7Very high11 Ų1138.8 Ų38.84%0.04222%0.224CC..  trans-53.4145.8-178.9175.2172.8171.8-174.6-5.2113N431 N432 N452 N456 D477 F479 E480 D793 E796N431-R454 CarbonylContact C-O 3.38Å; N431-R454 WeakPolarHBondContact CA-O 3.39Å; N431-R454 HydrophobicContact CB-CB 4.12Å; N431-R454 WeakPolarHBondContact CB-O 3.31Å; N432-R454 PolarHBondContact N-O 3.02Å; N452-R454 VanDerWaalsContact OD1-CB 3.24Å; N452-R454 WeakPolarHBondContact OD1-CB 3.5Å; N452-R454 PolarHBondContact OD1-N 2.03Å; R454-N456 PolarHBondContact O-ND2 3.09Å; R454-D477 VanDerWaalsContact CB-OD2 3.26Å; R454-D477 WeakPolarHBondContact CB-OD2 3.12Å; R454-D477 WeakPolarHBondContact CD-OD2 3.41Å; R454-F479 VanDerWaalsContact CA-O 3.28Å; R454-F479 WeakPolarHBondContact CA-O 3.4Å; R454-F479 HydrophobicContact CG-CB 4.06Å; R454-E480 HydrophobicContact CG-CB 4.36Å; R454-E480 IonicContact CZ-OE1 3.87Å; R454-E480 IonicContact CZ-OE2 3.75Å; R454-E480 IonicContact NE-OE1 2.93Å; R454-E480 IonicContact NE-OE2 3.33Å; R454-E480 PolarHBondContact NE-OE2 3.23Å; R454-E480 IonicContact NH2-OE1 2.74Å; R454-E480 PolarHBondContact NH2-OE1 3.24Å; R454-E480 IonicContact NH2-OE2 3.02Å; R454-E480 PolarHBondContact NH2-OE2 3.48Å; R454-D793 IonicContact CZ-OD2 2.76Å; R454-D793 IonicContact NH1-OD2 3.55Å; R454-D793 PolarHBondContact NH1-OD2 3.29Å; R454-D793 IonicContact NH2-OD2 3.05Å; R454-E796 IonicContact CZ-OE2 2.7Å; R454-E796 IonicContact NH1-OE1 2.7Å; R454-E796 PolarHBondContact NH1-OE1 2.88Å; R454-E796 IonicContact NH1-OE2 2.64Å; R454-E796 PolarHBondContact NH1-OE2 2.93Å
455N88.7Confident90.6Very high67 Ų6735.3 Ų35.336%0.35820%0.201SC..SBendtrans52.265.7178.3-16716.1000112.4N432 N433 F479 E480N432-N455 VanDerWaalsContact CA-O 3.28Å; N432-N455 WeakPolarHBondContact CA-O 3.32Å; N432-N455 PolarHBondContact N-O 3.1Å; N432-N455 PolarHBondContact OD1-ND2 3.02Å; N433-N455 PolarHBondContact N-O 3.19Å; N455-F479 PolarHBondContact N-O 3.02Å; N455-E480 WeakPolarHBondContact CA-O 3.42Å; N455-E480 HydrophobicContact CB-CB 4.01Å
456N95.8Very high90.9Very high7 Ų733.1 Ų33.14%0.03719%0.186CC..SBendtrans-129.5-163173.6-90.6-81.8000109L430 N433 L434 L435 L453 R454 F458 N481 P482L430-N456 PolarHBondContact O-ND2 3.31Å; N433-N456 WeakPolarHBondContact CA-OD1 3.36Å; N433-N456 WeakPolarHBondContact CB-OD1 3.44Å; N433-N456 PolarHBondContact O-OD1 3.04Å; L434-N456 PolarHBondContact N-OD1 2.99Å; L435-N456 HydrophobicContact CB-CB 4.43Å; L435-N456 VanDerWaalsContact CB-OD1 3.29Å; L435-N456 WeakPolarHBondContact CB-OD1 3.46Å; L435-N456 WeakPolarHBondContact CG-OD1 3.41Å; L435-N456 PolarHBondContact N-OD1 2.85Å; L453-N456 PolarHBondContact O-ND2 2.97Å; R454-N456 PolarHBondContact O-ND2 3.09Å; N456-F458 HydrophobicContact CB-CD2 3.72Å; N456-F458 HydrophobicContact CB-CE2 3.75Å; N456-N481 VanDerWaalsContact CA-OD1 3.31Å; N456-N481 WeakPolarHBondContact CA-OD1 3.48Å; N456-N481 WeakPolarHBondContact CB-OD1 3.47Å; N456-N481 PolarHBondContact N-OD1 3.19Å; N456-N481 PolarHBondContact O-OD1 3.49Å; N456-P482 WeakPolarHBondContact O-CD 3.24Å
457Q96.4Very high90.9Very high77 Ų7732.3 Ų32.336%0.3618%0.182SC..  trans-118.128.3-178.6-60-167.9-500112.5L435 K436 Q459 N481L435-Q457 CarbonylContact O-C 3.59Å; L435-Q457 WeakPolarHBondContact O-CA 3.21Å; L435-Q457 WeakPolarHBondContact O-CB 3.39Å; L435-Q457 PolarHBondContact O-N 2.86Å; K436-Q457 HydrophobicContact CG-CB 3.76Å; Q457-Q459 PolarHBondContact O-N 2.89Å; Q457-N481 PolarHBondContact N-OD1 2.81Å
458F96.3Very high91Very high0 Ų032.9 Ų32.90%018%0.181CC..  trans-69.1126177.9-65.6-66.8000111.4L435 K436 L438 L453 N456 L461 N481 P482 W483L435-F458 HydrophobicContact CB-CE1 3.97Å; L435-F458 HydrophobicContact CB-CE2 3.9Å; L435-F458 HydrophobicContact CB-CZ 3.41Å; L435-F458 VanDerWaalsContact CB-CZ 3.41Å; L435-F458 HydrophobicContact CD1-CE2 4.4Å; L435-F458 HydrophobicContact CD1-CZ 3.96Å; L435-F458 HydrophobicContact CG-CZ 4.33Å; L435-F458 PolarHBondContact O-N 3.5Å; K436-F458 VanDerWaalsContact C-CD1 3.48Å; K436-F458 WeakPolarHBondContact O-CD1 3.45Å; L438-F458 HydrophobicContact CD1-CZ 4.34Å; L438-F458 HydrophobicContact CD2-CE1 4.5Å; L438-F458 HydrophobicContact CD2-CZ 4.24Å; L438-F458 HydrophobicContact CG-CE1 3.9Å; L438-F458 HydrophobicContact CG-CZ 3.96Å; L453-F458 HydrophobicContact CB-CD2 4.47Å; L453-F458 HydrophobicContact CB-CE2 4.01Å; L453-F458 HydrophobicContact CD1-CE2 4.25Å; L453-F458 HydrophobicContact CD2-CE2 3.98Å; L453-F458 HydrophobicContact CD2-CZ 4.25Å; L453-F458 HydrophobicContact CG-CE2 4.31Å; N456-F458 HydrophobicContact CB-CD2 3.72Å; N456-F458 HydrophobicContact CB-CE2 3.75Å; F458-L461 HydrophobicContact CD1-CD2 3.55Å; F458-L461 HydrophobicContact CD1-CG 4.28Å; F458-L461 HydrophobicContact CE1-CD2 3.7Å; F458-L461 HydrophobicContact CG-CD2 4.17Å; F458-L461 HydrophobicContact CG-CG 4.46Å; F458-L461 HydrophobicContact CZ-CD2 4.4Å; F458-N481 HydrophobicContact CB-CB 4.38Å; F458-N481 WeakPolarHBondContact CB-OD1 3.42Å; F458-N481 VanDerWaalsContact CD2-OD1 3.24Å; F458-N481 WeakPolarHBondContact CD2-OD1 3.29Å; F458-N481 PolarHBondContact N-OD1 2.04Å; F458-P482 CarbonylContact O-C 3.43Å; F458-P482 VanDerWaalsContact O-CD 3.31Å; F458-P482 WeakPolarHBondContact O-CD 3.18Å; F458-W483 HydrophobicContact CB-CE3 4.38Å; F458-W483 HydrophobicContact CB-CH2 3.57Å; F458-W483 HydrophobicContact CB-CZ2 4.26Å; F458-W483 HydrophobicContact CB-CZ3 3.65Å; F458-W483 HydrophobicContact CG-CH2 4.28Å
459Q94.2Very high91Very high120 Ų12034.3 Ų34.356%0.56119%0.187SC*.SBendtrans-96.4-36171.6-68.1176.9-15.500111Q457 P482 W483 D484Q457-Q459 PolarHBondContact O-N 2.89Å; Q459-P482 WeakPolarHBondContact CA-O 3.18Å; Q459-W483 WeakPolarHBondContact O-CA 3.18Å; Q459-D484 HydrophobicContact CB-CB 4.28Å; Q459-D484 PolarHBondContact O-N 2.9Å
460N92.9Very high91.3Very high49 Ų4933.2 Ų33.226%0.26218%0.178SC..  trans-148.4165.1167.158.144.9000109.6I489N460-I489 HydrophobicContact CB-CG1 4.44Å
461L94Very high91.4Very high4 Ų439.1 Ų39.12%0.02121%0.206CC..  trans-126.6127.5166.7-72.9174.3000108.6L438 L453 F458 V463 L467 L478 W483 M492L438-L461 HydrophobicContact CD1-CD2 4.08Å; L438-L461 HydrophobicContact CG-CD2 4.26Å; L453-L461 HydrophobicContact CD1-CD1 4Å; F458-L461 HydrophobicContact CD1-CD2 3.55Å; F458-L461 HydrophobicContact CD1-CG 4.28Å; F458-L461 HydrophobicContact CE1-CD2 3.7Å; F458-L461 HydrophobicContact CG-CD2 4.17Å; F458-L461 HydrophobicContact CG-CG 4.46Å; F458-L461 HydrophobicContact CZ-CD2 4.4Å; L461-V463 PolarHBondContact O-N 3.14Å; L461-L467 HydrophobicContact CB-CD1 3.93Å; L461-L467 HydrophobicContact CB-CD2 4.45Å; L461-L467 HydrophobicContact CB-CG 4.34Å; L461-L467 HydrophobicContact CD1-CD2 4.21Å; L461-L478 HydrophobicContact CD1-CD2 3.98Å; L461-W483 HydrophobicContact CD1-CH2 3.77Å; L461-W483 HydrophobicContact CD1-CZ3 4.36Å; L461-W483 HydrophobicContact CG-CH2 3.89Å; L461-W483 HydrophobicContact CG-CZ3 4Å; L461-M492 HydrophobicContact CB-SD 3.82Å
462P91.8Very high91.1Very high51 Ų5144.1 Ų44.133%0.33123%0.232SC..  trans-69.9133178.128.9-34000110.2M440 V466 L467M440-P462 HydrophobicContact SD-CG 4.34Å; P462-V466 HydrophobicContact CG-CB 4.32Å; P462-V466 HydrophobicContact CG-CG2 3.87Å; P462-V466 WeakPolarHBondContact O-CB 3.29Å; P462-L467 PolarHBondContact O-N 2.57Å
463V91.1Very high91Very high37 Ų3744.6 Ų44.622%0.22423%0.234CC..THydrogen-bonded Turntrans-70.9-54.6175.6175.70000110.7L461 G465 V466 L467 D468 G491 M492 W495L461-V463 PolarHBondContact O-N 3.14Å; V463-G465 PolarHBondContact O-N 2.89Å; V463-V466 PolarHBondContact O-N 2.8Å; V463-L467 HydrophobicContact CG2-CD1 4.02Å; V463-L467 PolarHBondContact O-N 3.16Å; V463-L467 VanDerWaalsContact O-N 3.12Å; V463-D468 WeakPolarHBondContact O-CB 3.44Å; V463-D468 VanDerWaalsContact O-CG 3.31Å; V463-D468 PolarHBondContact O-N 2.01Å; V463-G491 VanDerWaalsContact CG2-O 3.31Å; V463-G491 WeakPolarHBondContact CG2-O 3.28Å; V463-M492 HydrophobicContact CG2-CB 4.43Å; V463-W495 HydrophobicContact CG1-CB 4.1Å; V463-W495 HydrophobicContact CG1-CG 4.18Å; V463-W495 HydrophobicContact CG2-CB 3.63Å; V463-W495 HydrophobicContact CG2-CG 4.17Å
464S89.7Confident90.1Very high84 Ų8449.1 Ų49.159%0.58726%0.261SS*.THydrogen-bonded Turntrans-63.1129.8175.8-172.60000109.7M440 V466 D468M440-S464 VanDerWaalsContact CE-O 3.29Å; M440-S464 WeakPolarHBondContact CE-O 3.25Å; S464-V466 VanDerWaalsContact C-N 3.28Å; S464-V466 PolarHBondContact O-N 3.17Å; S464-D468 WeakPolarHBondContact CA-OD2 3.49Å
465G86.9Confident89.5Confident11 Ų1149.2 Ų49.211%0.11326%0.262CS..THydrogen-bonded Turntrans77.6-1.917700000115.9M440 G441 V463 D468 Q469M440-G465 CarbonylContact C-O 3.42Å; G441-G465 PolarHBondContact N-O 2.84Å; V463-G465 PolarHBondContact O-N 2.89Å; G465-D468 PolarHBondContact N-OD1 2.89Å; G465-D468 VanDerWaalsContact N-OD1 3.14Å; G465-D468 PolarHBondContact N-OD2 3.41Å; G465-Q469 VanDerWaalsContact CA-NE2 3.27Å; G465-Q469 PolarHBondContact O-NE2 3.2Å
466V92.9Very high89.3Confident0 Ų046 Ų460%025%0.245CC..THydrogen-bonded Turntrans-136.2-67.5170.2-179.40000111.5L438 M440 I442 F443 P462 V463 S464 D468 Q469L438-V466 HydrophobicContact CB-CG1 4.16Å; L438-V466 HydrophobicContact CB-CG2 4.41Å; L438-V466 HydrophobicContact CD1-CG1 4.05Å; M440-V466 HydrophobicContact SD-CG2 4.49Å; I442-V466 HydrophobicContact CG2-CG1 4.08Å; I442-V466 HydrophobicContact CG2-CG2 4.41Å; F443-V466 HydrophobicContact CD2-CG1 3.93Å; F443-V466 HydrophobicContact CE2-CG1 3.68Å; P462-V466 HydrophobicContact CG-CB 4.32Å; P462-V466 HydrophobicContact CG-CG2 3.87Å; P462-V466 WeakPolarHBondContact O-CB 3.29Å; V463-V466 PolarHBondContact O-N 2.8Å; S464-V466 VanDerWaalsContact C-N 3.28Å; S464-V466 PolarHBondContact O-N 3.17Å; V466-D468 VanDerWaalsContact C-N 3.34Å; V466-D468 PolarHBondContact N-OD1 3.47Å; V466-D468 PolarHBondContact O-N 2.91Å; V466-Q469 PolarHBondContact O-N 3.4Å
467L92.4Very high88.6Confident1 Ų145.9 Ų45.91%0.00525%0.245CC..G310 helixtrans-74-26.1-174.8-54.6170000112.7L461 P462 V463 Q469 L470 M492 W495L461-L467 HydrophobicContact CB-CD1 3.93Å; L461-L467 HydrophobicContact CB-CD2 4.45Å; L461-L467 HydrophobicContact CB-CG 4.34Å; L461-L467 HydrophobicContact CD1-CD2 4.21Å; P462-L467 PolarHBondContact O-N 2.57Å; V463-L467 HydrophobicContact CG2-CD1 4.02Å; V463-L467 PolarHBondContact O-N 3.16Å; V463-L467 VanDerWaalsContact O-N 3.12Å; L467-Q469 PolarHBondContact O-N 3.47Å; L467-L470 HydrophobicContact CD2-CD1 4.07Å; L467-L470 PolarHBondContact O-N 3.03Å; L467-M492 HydrophobicContact CD1-CG 3.81Å; L467-M492 HydrophobicContact CD1-SD 4.35Å; L467-W495 HydrophobicContact CB-CD2 3.87Å; L467-W495 HydrophobicContact CB-CE3 4.29Å; L467-W495 HydrophobicContact CB-CG 4.33Å; L467-W495 HydrophobicContact CB-CH2 4.26Å; L467-W495 HydrophobicContact CB-CZ2 3.85Å; L467-W495 HydrophobicContact CB-CZ3 4.46Å; L467-W495 HydrophobicContact CD1-CD2 4.12Å; L467-W495 HydrophobicContact CD1-CE3 3.81Å; L467-W495 HydrophobicContact CD1-CZ3 4.07Å; L467-W495 HydrophobicContact CD2-CH2 3.96Å; L467-W495 HydrophobicContact CD2-CZ2 4.32Å; L467-W495 HydrophobicContact CD2-CZ3 4.1Å; L467-W495 HydrophobicContact CG-CE3 4.46Å; L467-W495 HydrophobicContact CG-CZ3 4.45Å; L467-W495 PolarHBondContact O-NE1 3.23Å
468D89.9Confident88.3Confident67 Ų6742.3 Ų42.336%0.35823%0.228SC..G310 helixtrans-63.4-14.4174.968-0.2000115.1V463 S464 G465 V466 K471V463-D468 WeakPolarHBondContact O-CB 3.44Å; V463-D468 VanDerWaalsContact O-CG 3.31Å; V463-D468 PolarHBondContact O-N 2.01Å; S464-D468 WeakPolarHBondContact CA-OD2 3.49Å; G465-D468 PolarHBondContact N-OD1 2.89Å; G465-D468 VanDerWaalsContact N-OD1 3.14Å; G465-D468 PolarHBondContact N-OD2 3.41Å; V466-D468 VanDerWaalsContact C-N 3.34Å; V466-D468 PolarHBondContact N-OD1 3.47Å; V466-D468 PolarHBondContact O-N 2.91Å; D468-K471 VanDerWaalsContact O-CE 3.24Å; D468-K471 WeakPolarHBondContact O-CE 3.26Å
469Q90.5Very high87.7Confident35 Ų3545.1 Ų45.116%0.16424%0.24CC..G310 helixtrans-86.6-19.3177.2-75144.353.900113.3F443 G465 V466 L467 K471F443-Q469 HydrophobicContact CB-CB 3.93Å; G465-Q469 VanDerWaalsContact CA-NE2 3.27Å; G465-Q469 PolarHBondContact O-NE2 3.2Å; V466-Q469 PolarHBondContact O-N 3.4Å; L467-Q469 PolarHBondContact O-N 3.47Å; Q469-K471 PolarHBondContact O-N 2.93Å
470L89.5Confident87.4Confident13 Ų1342.9 Ų42.97%0.06823%0.23CC..  trans-80.656.2-171.9-61.5176.9000112.6F443 L448 L451 L467 L472 L473 I476 W495F443-L470 HydrophobicContact CB-CD2 4Å; F443-L470 HydrophobicContact CD2-CD1 4.16Å; F443-L470 HydrophobicContact CD2-CD2 3.55Å; F443-L470 HydrophobicContact CD2-CG 3.91Å; F443-L470 HydrophobicContact CE2-CD1 4.19Å; F443-L470 HydrophobicContact CE2-CD2 4.13Å; F443-L470 HydrophobicContact CE2-CG 4.43Å; F443-L470 HydrophobicContact CG-CD2 3.81Å; L448-L470 HydrophobicContact CB-CD2 4.32Å; L448-L470 HydrophobicContact CD1-CD2 4.01Å; L451-L470 HydrophobicContact CD2-CD1 3.79Å; L451-L470 HydrophobicContact CD2-CD2 4.31Å; L467-L470 HydrophobicContact CD2-CD1 4.07Å; L467-L470 PolarHBondContact O-N 3.03Å; L470-L472 PolarHBondContact O-N 3.04Å; L470-L473 HydrophobicContact CB-CB 4.04Å; L470-L473 HydrophobicContact CB-CD1 4.48Å; L470-L473 HydrophobicContact CB-CD2 3.92Å; L470-L473 HydrophobicContact CB-CG 4.4Å; L470-L473 HydrophobicContact CD1-CD2 4.11Å; L470-L473 WeakPolarHBondContact O-CB 3.49Å; L470-L473 PolarHBondContact O-N 3.33Å; L470-I476 HydrophobicContact CD1-CD1 4.32Å; L470-W495 HydrophobicContact CD1-CZ2 4.4Å
471K85.1Confident87.4Confident179 Ų17941 Ų4178%0.77822%0.22SC*.THydrogen-bonded Turntrans-78-14.2-168.6-64.9174.1-176.41740115.6D468 Q469D468-K471 VanDerWaalsContact O-CE 3.24Å; D468-K471 WeakPolarHBondContact O-CE 3.26Å; Q469-K471 PolarHBondContact O-N 2.93Å
472L85.4Confident87.5Confident109 Ų10942.8 Ų42.857%0.57123%0.232SC*.THydrogen-bonded Turntrans-117.217.3179.2-62.3176.1000111.8L448 L470 V474L448-L472 CarbonylContact O-C 3.17Å; L448-L472 VanDerWaalsContact O-C 3.29Å; L470-L472 PolarHBondContact O-N 3.04Å; L472-V474 PolarHBondContact O-N 3.46Å; L472-V474 VanDerWaalsContact O-N 3.15Å
473L83.8Confident87.7Confident14 Ų1440.4 Ų40.47%0.07322%0.216CC..  trans-70.2105-175.1-173.773.1000110.5L448 L451 L470 Q475 I476 W495 T503L448-L473 PolarHBondContact O-N 2.84Å; L451-L473 HydrophobicContact CB-CD1 4.13Å; L470-L473 HydrophobicContact CB-CB 4.04Å; L470-L473 HydrophobicContact CB-CD1 4.48Å; L470-L473 HydrophobicContact CB-CD2 3.92Å; L470-L473 HydrophobicContact CB-CG 4.4Å; L470-L473 HydrophobicContact CD1-CD2 4.11Å; L470-L473 WeakPolarHBondContact O-CB 3.49Å; L470-L473 PolarHBondContact O-N 3.33Å; L473-Q475 VanDerWaalsContact CD1-O 3.28Å; L473-Q475 WeakPolarHBondContact CD1-O 3.34Å; L473-I476 HydrophobicContact CD1-CB 4.21Å; L473-I476 HydrophobicContact CD2-CB 3.91Å; L473-I476 HydrophobicContact CD2-CD1 4.35Å; L473-I476 HydrophobicContact CD2-CG2 3.98Å; L473-I476 HydrophobicContact CG-CB 4.33Å; L473-W495 HydrophobicContact CD2-CH2 3.94Å; L473-W495 HydrophobicContact CD2-CZ2 3.98Å; L473-T503 HydrophobicContact CD2-CG2 4.32Å; L473-T503 HydrophobicContact CG-CG2 4.29Å
474V76.1Confident87.8Confident95 Ų9540.4 Ų40.458%0.57622%0.215SC*.SBendtrans-75.6-35.8170.7-178.60000109.7S449 L472 T503S449-V474 WeakPolarHBondContact O-CA 3.28Å; S449-V474 WeakPolarHBondContact O-CB 3.1Å; S449-V474 PolarHBondContact O-N 2.93Å; L472-V474 PolarHBondContact O-N 3.46Å; L472-V474 VanDerWaalsContact O-N 3.15Å; V474-T503 WeakPolarHBondContact O-CA 3.01Å; V474-T503 WeakPolarHBondContact O-CG2 3.29Å; V474-T503 PolarHBondContact O-OG1 3.1Å
475Q75.4Confident88Confident13 Ų1336.4 Ų36.46%0.06119%0.187CC..EExtended strand (participates in β ladder)trans-150132-167.3-160.2163.722.900113S449 R450 L451 L473 T503 V505 V797S449-Q475 PolarHBondContact O-N 3.43Å; R450-Q475 WeakPolarHBondContact CA-O 3.46Å; R450-Q475 HydrophobicContact CG-CB 4.13Å; L451-Q475 PolarHBondContact N-O 3.36Å; L451-Q475 VanDerWaalsContact N-O 3.07Å; L473-Q475 VanDerWaalsContact CD1-O 3.28Å; L473-Q475 WeakPolarHBondContact CD1-O 3.34Å; Q475-T503 CarbonylContact C-O 3.52Å; Q475-T503 VanDerWaalsContact CA-O 3.29Å; Q475-T503 WeakPolarHBondContact CA-O 3.42Å; Q475-V505 HydrophobicContact CG-CG2 3.39Å; Q475-V797 VanDerWaalsContact NE2-CA 3.34Å; Q475-V797 PolarHBondContact NE2-O 3.43Å
476I85Confident88.2Confident0 Ų037.8 Ų37.80%020%0.195CC..EExtended strand (participates in β ladder)trans-136.7136.6171.2-168.7172.7000111.8L451 L470 L473 L478 W495 T503 V504 V505L451-I476 HydrophobicContact CB-CG1 4.33Å; L451-I476 HydrophobicContact CD2-CD1 4.04Å; L451-I476 HydrophobicContact CD2-CG1 4.41Å; L451-I476 HydrophobicContact CG-CG1 4.39Å; L451-I476 VanDerWaalsContact O-CA 3.3Å; L451-I476 WeakPolarHBondContact O-CA 3.44Å; L470-I476 HydrophobicContact CD1-CD1 4.32Å; L473-I476 HydrophobicContact CD1-CB 4.21Å; L473-I476 HydrophobicContact CD2-CB 3.91Å; L473-I476 HydrophobicContact CD2-CD1 4.35Å; L473-I476 HydrophobicContact CD2-CG2 3.98Å; L473-I476 HydrophobicContact CG-CB 4.33Å; I476-L478 HydrophobicContact CD1-CD1 4.4Å; I476-L478 HydrophobicContact CD1-CD2 3.87Å; I476-L478 HydrophobicContact CD1-CG 4.14Å; I476-L478 HydrophobicContact CG1-CD2 4.11Å; I476-L478 HydrophobicContact CG1-CG 4.12Å; I476-W495 HydrophobicContact CD1-CH2 3.98Å; I476-W495 HydrophobicContact CD1-CZ3 4.49Å; I476-W495 HydrophobicContact CG2-CH2 4.44Å; I476-T503 PolarHBondContact N-O 3.36Å; I476-V504 HydrophobicContact CG2-CG2 4.23Å; I476-V504 WeakPolarHBondContact O-CA 3.31Å; I476-V505 WeakPolarHBondContact O-CG2 3.18Å; I476-V505 PolarHBondContact O-N 2.86Å
477D81.1Confident88Confident5 Ų540.3 Ų40.33%0.02721%0.212CC..EExtended strand (participates in β ladder)trans-114.4133.2170.4-172.810.5000111L451 N452 L453 R454 F479 V505 N506L451-D477 PolarHBondContact O-N 3.4Å; N452-D477 PolarHBondContact OD1-OD2 3.06Å; L453-D477 PolarHBondContact N-O 3.07Å; R454-D477 VanDerWaalsContact CB-OD2 3.26Å; R454-D477 WeakPolarHBondContact CB-OD2 3.12Å; R454-D477 WeakPolarHBondContact CD-OD2 3.41Å; D477-F479 WeakPolarHBondContact OD1-CB 3.08Å; D477-F479 PolarHBondContact OD1-N 3.49Å; D477-V505 HydrophobicContact CB-CB 4.11Å; D477-V505 HydrophobicContact CB-CG2 4.27Å; D477-N506 VanDerWaalsContact CG-ND2 3.3Å; D477-N506 PolarHBondContact OD1-ND2 3.14Å; D477-N506 PolarHBondContact OD2-ND2 2.89Å
478L91.4Very high87.8Confident2 Ų246.4 Ų46.41%0.0124%0.244CC..  trans-133.67.9-171.7-67.1-177.1000111.9L453 L461 I476 W483 L496 V508L453-L478 HydrophobicContact CB-CD2 4.27Å; L453-L478 HydrophobicContact CD1-CD2 4.02Å; L461-L478 HydrophobicContact CD1-CD2 3.98Å; I476-L478 HydrophobicContact CD1-CD1 4.4Å; I476-L478 HydrophobicContact CD1-CD2 3.87Å; I476-L478 HydrophobicContact CD1-CG 4.14Å; I476-L478 HydrophobicContact CG1-CD2 4.11Å; I476-L478 HydrophobicContact CG1-CG 4.12Å; L478-W483 HydrophobicContact CB-CZ2 3.89Å; L478-W483 HydrophobicContact CD2-CH2 4.29Å; L478-W483 HydrophobicContact CD2-CZ2 4.12Å; L478-W483 HydrophobicContact CG-CZ2 4.41Å; L478-W483 PolarHBondContact O-NE1 3.1Å; L478-L496 HydrophobicContact CD1-CD2 4Å; L478-V508 HydrophobicContact CB-CG2 4.26Å; L478-V508 HydrophobicContact CD1-CG2 4.17Å
479F83.6Confident87.9Confident58 Ų5843.2 Ų43.225%0.25423%0.227SC..  trans-68.2167.4-173.3-166.3-132.2000113R454 N455 D477 N481 N506 V509R454-F479 VanDerWaalsContact CA-O 3.28Å; R454-F479 WeakPolarHBondContact CA-O 3.4Å; R454-F479 HydrophobicContact CG-CB 4.06Å; N455-F479 PolarHBondContact N-O 3.02Å; D477-F479 WeakPolarHBondContact OD1-CB 3.08Å; D477-F479 PolarHBondContact OD1-N 3.49Å; F479-N481 PolarHBondContact O-N 3.22Å; F479-N481 PolarHBondContact O-ND2 3.12Å; F479-N506 HydrophobicContact CB-CB 3.71Å; F479-N506 HydrophobicContact CD2-CB 4.06Å; F479-N506 HydrophobicContact CG-CB 3.95Å; F479-V509 HydrophobicContact CE2-CG2 4.47Å
480E87Confident87.9Confident74 Ų7441.6 Ų41.635%0.34622%0.22SC..SBendtrans50.832.8176.7-71.5161.9173.800114.4R454 N455R454-E480 HydrophobicContact CG-CB 4.36Å; R454-E480 IonicContact CZ-OE1 3.87Å; R454-E480 IonicContact CZ-OE2 3.75Å; R454-E480 IonicContact NE-OE1 2.93Å; R454-E480 IonicContact NE-OE2 3.33Å; R454-E480 PolarHBondContact NE-OE2 3.23Å; R454-E480 IonicContact NH2-OE1 2.74Å; R454-E480 PolarHBondContact NH2-OE1 3.24Å; R454-E480 IonicContact NH2-OE2 3.02Å; R454-E480 PolarHBondContact NH2-OE2 3.48Å; N455-E480 WeakPolarHBondContact CA-O 3.42Å; N455-E480 HydrophobicContact CB-CB 4.01Å
481N93.4Very high87.9Confident10 Ų1042.8 Ų42.85%0.05324%0.235CC..  trans-110.1144.2174.7-86.5-87.1000110.8L453 N456 Q457 F458 F479 W483L453-N481 PolarHBondContact O-ND2 3.48Å; N456-N481 VanDerWaalsContact CA-OD1 3.31Å; N456-N481 WeakPolarHBondContact CA-OD1 3.48Å; N456-N481 WeakPolarHBondContact CB-OD1 3.47Å; N456-N481 PolarHBondContact N-OD1 3.19Å; N456-N481 PolarHBondContact O-OD1 3.49Å; Q457-N481 PolarHBondContact N-OD1 2.81Å; F458-N481 HydrophobicContact CB-CB 4.38Å; F458-N481 WeakPolarHBondContact CB-OD1 3.42Å; F458-N481 VanDerWaalsContact CD2-OD1 3.24Å; F458-N481 WeakPolarHBondContact CD2-OD1 3.29Å; F458-N481 PolarHBondContact N-OD1 2.04Å; F479-N481 PolarHBondContact O-N 3.22Å; F479-N481 PolarHBondContact O-ND2 3.12Å; N481-W483 HydrophobicContact CB-CD2 4.18Å; N481-W483 VanDerWaalsContact CB-CE2 3.48Å; N481-W483 HydrophobicContact CB-CG 4.48Å; N481-W483 HydrophobicContact CB-CH2 4.49Å; N481-W483 HydrophobicContact CB-CZ2 3.65Å; N481-W483 VanDerWaalsContact O-CD1 3.24Å; N481-W483 PolarHBondContact O-N 3.13Å
482P94.9Very high88.3Confident41 Ų4134.3 Ų34.327%0.26620%0.198SC..  trans-80.261.9-17635.1-38.3000112.2N456 F458 Q459 D484 E511N456-P482 WeakPolarHBondContact O-CD 3.24Å; F458-P482 CarbonylContact O-C 3.43Å; F458-P482 VanDerWaalsContact O-CD 3.31Å; F458-P482 WeakPolarHBondContact O-CD 3.18Å; Q459-P482 WeakPolarHBondContact CA-O 3.18Å; P482-D484 PolarHBondContact O-N 3.23Å; P482-E511 HydrophobicContact CB-CB 4.24Å; P482-E511 HydrophobicContact CB-CG 4.09Å
483W95.9Very high88.6Confident1 Ų129.5 Ų29.50%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-59.4128-175.4-61.7111.8000112.4F458 Q459 L461 L478 N481 I489 M492 V508 E511 T512F458-W483 HydrophobicContact CB-CE3 4.38Å; F458-W483 HydrophobicContact CB-CH2 3.57Å; F458-W483 HydrophobicContact CB-CZ2 4.26Å; F458-W483 HydrophobicContact CB-CZ3 3.65Å; F458-W483 HydrophobicContact CG-CH2 4.28Å; Q459-W483 WeakPolarHBondContact O-CA 3.18Å; L461-W483 HydrophobicContact CD1-CH2 3.77Å; L461-W483 HydrophobicContact CD1-CZ3 4.36Å; L461-W483 HydrophobicContact CG-CH2 3.89Å; L461-W483 HydrophobicContact CG-CZ3 4Å; L478-W483 HydrophobicContact CB-CZ2 3.89Å; L478-W483 HydrophobicContact CD2-CH2 4.29Å; L478-W483 HydrophobicContact CD2-CZ2 4.12Å; L478-W483 HydrophobicContact CG-CZ2 4.41Å; L478-W483 PolarHBondContact O-NE1 3.1Å; N481-W483 HydrophobicContact CB-CD2 4.18Å; N481-W483 VanDerWaalsContact CB-CE2 3.48Å; N481-W483 HydrophobicContact CB-CG 4.48Å; N481-W483 HydrophobicContact CB-CH2 4.49Å; N481-W483 HydrophobicContact CB-CZ2 3.65Å; N481-W483 VanDerWaalsContact O-CD1 3.24Å; N481-W483 PolarHBondContact O-N 3.13Å; W483-I489 HydrophobicContact CB-CD1 4.11Å; W483-I489 HydrophobicContact CE3-CD1 4.14Å; W483-M492 HydrophobicContact CD2-CE 4.08Å; W483-M492 HydrophobicContact CE3-CE 3.72Å; W483-M492 HydrophobicContact CE3-SD 4.34Å; W483-M492 HydrophobicContact CH2-CE 4.19Å; W483-M492 HydrophobicContact CH2-SD 4.26Å; W483-M492 HydrophobicContact CZ2-CE 4.49Å; W483-M492 HydrophobicContact CZ3-CE 3.77Å; W483-M492 HydrophobicContact CZ3-SD 3.85Å; W483-V508 HydrophobicContact CD2-CG1 4.13Å; W483-V508 HydrophobicContact CG-CG1 3.99Å; W483-E511 PolarHBondContact O-N 3.3Å; W483-T512 PolarHBondContact O-N 2.85Å; W483-T512 VanDerWaalsContact O-N 3.13Å
484D94.8Very high88.8Confident36 Ų3631.3 Ų31.319%0.19318%0.182CC..EExtended strand (participates in β ladder)trans-95.8100.1173.2-173.948.7000110.7Q459 P482 S486 T512Q459-D484 HydrophobicContact CB-CB 4.28Å; Q459-D484 PolarHBondContact O-N 2.9Å; P482-D484 PolarHBondContact O-N 3.23Å; D484-S486 VanDerWaalsContact CG-OG 3.3Å; D484-S486 PolarHBondContact O-N 3.4Å; D484-S486 PolarHBondContact OD1-OG 3.29Å; D484-S486 WeakPolarHBondContact OD2-CB 3.23Å; D484-S486 PolarHBondContact OD2-OG 3.43Å; D484-T512 WeakPolarHBondContact CA-OG1 3.35Å; D484-T512 VanDerWaalsContact CB-OG1 3.31Å; D484-T512 WeakPolarHBondContact CB-OG1 3.48Å; D484-T512 VanDerWaalsContact CG-OG1 3.27Å; D484-T512 WeakPolarHBondContact OD1-CB 3.16Å; D484-T512 PolarHBondContact OD1-OG1 2.95Å
485C93.5Very high89.6Confident1 Ų127.9 Ų27.91%0.00716%0.159CC..  trans-82.756.6179.8-62.10000112.1I489 C510 T512 P513 H516 I524 L529C485-I489 HydrophobicContact CB-CG2 4.35Å; C485-C510 HydrophobicContact CB-CB 3.7Å; C485-C510 WeakPolarHBondContact CB-SG 3.25Å; C485-C510 WeakPolarHBondContact SG-CB 3.37Å; C485-C510 CovalentContact SG-SG 2.02Å; C485-C510 PolarHBondContact SG-SG 2.82Å; C485-T512 PolarHBondContact N-O 3.01Å; C485-P513 VanDerWaalsContact C-CD 3.49Å; C485-P513 VanDerWaalsContact O-CD 3.24Å; C485-P513 WeakPolarHBondContact O-CD 3.45Å; C485-H516 HydrophobicContact CB-CB 4.33Å; C485-I524 HydrophobicContact CB-CD1 4.23Å; C485-L529 HydrophobicContact CB-CD2 3.79Å; C485-L529 VanDerWaalsContact O-CD2 3.28Å; C485-L529 WeakPolarHBondContact O-CD2 3.17Å
486S90.9Very high90.3Very high40 Ų4027.7 Ų27.728%0.2816%0.158SC..SBendtrans-95.7-178.1165.5-61.20000110D484 D488 I489D484-S486 VanDerWaalsContact CG-OG 3.3Å; D484-S486 PolarHBondContact O-N 3.4Å; D484-S486 PolarHBondContact OD1-OG 3.29Å; D484-S486 WeakPolarHBondContact OD2-CB 3.23Å; D484-S486 PolarHBondContact OD2-OG 3.43Å; S486-D488 PolarHBondContact O-N 3.41Å; S486-D488 VanDerWaalsContact O-N 3.1Å; S486-I489 WeakPolarHBondContact O-CG2 3.33Å; S486-I489 PolarHBondContact O-N 2.86Å; S486-I489 VanDerWaalsContact O-N 3.16Å
487C89.1Confident90.4Very high53 Ų5332.3 Ų32.336%0.35818%0.18SC..G310 helixtrans-53.3-35.3-176.4-172.70000114.3I489 V490 L529 C530C487-I489 PolarHBondContact O-N 3.29Å; C487-I489 VanDerWaalsContact O-N 3.14Å; C487-V490 WeakPolarHBondContact O-CB 3.48Å; C487-V490 VanDerWaalsContact O-CG2 3.28Å; C487-V490 WeakPolarHBondContact O-CG2 3.33Å; C487-V490 PolarHBondContact O-N 3.01Å; C487-V490 VanDerWaalsContact O-N 3.12Å; C487-L529 PolarHBondContact N-O 2.79Å; C487-C530 HydrophobicContact CB-CB 3.55Å; C487-C530 WeakPolarHBondContact CB-SG 3.38Å; C487-C530 WeakPolarHBondContact SG-CB 3.22Å; C487-C530 CovalentContact SG-SG 2.04Å; C487-C530 PolarHBondContact SG-SG 3.04Å
488D87.3Confident90.6Very high128 Ų12839 Ų3968%0.68421%0.211SC*.G310 helixtrans-60.3-26.1-177.3-62.5-32.3000113.8S486 V490S486-D488 PolarHBondContact O-N 3.41Å; S486-D488 VanDerWaalsContact O-N 3.1Å; D488-V490 VanDerWaalsContact C-N 3.34Å
489I92.4Very high90Very high0 Ų040.9 Ų40.90%022%0.22CC..G310 helixtrans-81.4-11.8-178.5-141.8166.4000113.2N460 W483 C485 S486 C487 G491 M492 K493 L521 L529N460-I489 HydrophobicContact CB-CG1 4.44Å; W483-I489 HydrophobicContact CB-CD1 4.11Å; W483-I489 HydrophobicContact CE3-CD1 4.14Å; C485-I489 HydrophobicContact CB-CG2 4.35Å; S486-I489 WeakPolarHBondContact O-CG2 3.33Å; S486-I489 PolarHBondContact O-N 2.86Å; S486-I489 VanDerWaalsContact O-N 3.16Å; C487-I489 PolarHBondContact O-N 3.29Å; C487-I489 VanDerWaalsContact O-N 3.14Å; I489-G491 PolarHBondContact O-N 3.12Å; I489-M492 HydrophobicContact CD1-CE 3.9Å; I489-M492 HydrophobicContact CG1-CB 4.13Å; I489-M492 HydrophobicContact CG1-CE 3.98Å; I489-M492 HydrophobicContact CG1-SD 4.47Å; I489-M492 WeakPolarHBondContact O-CA 3.1Å; I489-M492 WeakPolarHBondContact O-CB 2.98Å; I489-M492 PolarHBondContact O-N 3.28Å; I489-K493 PolarHBondContact O-N 3.22Å; I489-L521 HydrophobicContact CD1-CD2 3.88Å; I489-L521 HydrophobicContact CG1-CD2 3.83Å; I489-L521 HydrophobicContact CG2-CD1 3.47Å; I489-L521 VanDerWaalsContact CG2-CD1 3.47Å; I489-L521 HydrophobicContact CG2-CD2 4.14Å; I489-L521 HydrophobicContact CG2-CG 4.47Å; I489-L529 HydrophobicContact CG2-CD1 4.29Å
490V90.8Very high89.6Confident2 Ų242 Ų421%0.01224%0.236CC..Hα-helixtrans-57.5-35.7-175.1171.70000111.8C487 D488 K493 I494 L529 C530 Y533C487-V490 WeakPolarHBondContact O-CB 3.48Å; C487-V490 VanDerWaalsContact O-CG2 3.28Å; C487-V490 WeakPolarHBondContact O-CG2 3.33Å; C487-V490 PolarHBondContact O-N 3.01Å; C487-V490 VanDerWaalsContact O-N 3.12Å; D488-V490 VanDerWaalsContact C-N 3.34Å; V490-K493 WeakPolarHBondContact O-CB 3.29Å; V490-K493 PolarHBondContact O-N 3.3Å; V490-I494 HydrophobicContact CG1-CD1 3.92Å; V490-I494 WeakPolarHBondContact O-CG1 3.43Å; V490-I494 PolarHBondContact O-N 3.02Å; V490-I494 VanDerWaalsContact O-N 3.08Å; V490-L529 HydrophobicContact CG2-CB 3.62Å; V490-L529 HydrophobicContact CG2-CD1 3.99Å; V490-L529 HydrophobicContact CG2-CG 4.47Å; V490-C530 HydrophobicContact CG2-CB 4.1Å; V490-Y533 HydrophobicContact CG1-CD2 4.24Å; V490-Y533 HydrophobicContact CG1-CE2 4.08Å
491G89.6Confident88.5Confident37 Ų3742.6 Ų42.638%0.38125%0.253SS..Hα-helixtrans-59.7-48.4171.900000112.1V463 I489 K493 I494 W495V463-G491 VanDerWaalsContact CG2-O 3.31Å; V463-G491 WeakPolarHBondContact CG2-O 3.28Å; I489-G491 PolarHBondContact O-N 3.12Å; G491-K493 VanDerWaalsContact C-N 3.35Å; G491-K493 PolarHBondContact O-N 2.96Å; G491-I494 PolarHBondContact O-N 2.97Å; G491-W495 PolarHBondContact O-N 2.85Å
492M93.1Very high86.9Confident2 Ų243.8 Ų43.81%0.0127%0.268CS..Hα-helixtrans-63.3-39.7179.4-167.1177.193.300111.7L461 V463 L467 W483 I489 W495 L496 V508 L521L461-M492 HydrophobicContact CB-SD 3.82Å; V463-M492 HydrophobicContact CG2-CB 4.43Å; L467-M492 HydrophobicContact CD1-CG 3.81Å; L467-M492 HydrophobicContact CD1-SD 4.35Å; W483-M492 HydrophobicContact CD2-CE 4.08Å; W483-M492 HydrophobicContact CE3-CE 3.72Å; W483-M492 HydrophobicContact CE3-SD 4.34Å; W483-M492 HydrophobicContact CH2-CE 4.19Å; W483-M492 HydrophobicContact CH2-SD 4.26Å; W483-M492 HydrophobicContact CZ2-CE 4.49Å; W483-M492 HydrophobicContact CZ3-CE 3.77Å; W483-M492 HydrophobicContact CZ3-SD 3.85Å; I489-M492 HydrophobicContact CD1-CE 3.9Å; I489-M492 HydrophobicContact CG1-CB 4.13Å; I489-M492 HydrophobicContact CG1-CE 3.98Å; I489-M492 HydrophobicContact CG1-SD 4.47Å; I489-M492 WeakPolarHBondContact O-CA 3.1Å; I489-M492 WeakPolarHBondContact O-CB 2.98Å; I489-M492 PolarHBondContact O-N 3.28Å; M492-W495 PolarHBondContact O-N 3.24Å; M492-L496 HydrophobicContact CE-CD1 4.21Å; M492-L496 HydrophobicContact CG-CD1 4.29Å; M492-L496 VanDerWaalsContact O-CG 3.24Å; M492-L496 WeakPolarHBondContact O-CG 2.98Å; M492-L496 PolarHBondContact O-N 3.09Å; M492-V508 HydrophobicContact CE-CG1 3.64Å; M492-L521 HydrophobicContact CE-CD2 3.78Å
493K90.9Very high85.6Confident8 Ų842.1 Ų42.14%0.03526%0.257CS..Hα-helixtrans-54-54.6171.4177.4-175.3171.1-68.30111.4I489 V490 G491 W495 L496 E497 L521 I524 S526 L529I489-K493 PolarHBondContact O-N 3.22Å; V490-K493 WeakPolarHBondContact O-CB 3.29Å; V490-K493 PolarHBondContact O-N 3.3Å; G491-K493 VanDerWaalsContact C-N 3.35Å; G491-K493 PolarHBondContact O-N 2.96Å; K493-W495 VanDerWaalsContact C-N 3.26Å; K493-W495 PolarHBondContact O-N 3.1Å; K493-L496 WeakPolarHBondContact O-CB 3.45Å; K493-L496 PolarHBondContact O-N 3.02Å; K493-L496 VanDerWaalsContact O-N 3.13Å; K493-E497 WeakPolarHBondContact CE-OE1 3.35Å; K493-E497 IonicContact NZ-OE1 2.75Å; K493-E497 PolarHBondContact NZ-OE1 3.04Å; K493-E497 IonicContact NZ-OE2 2.8Å; K493-E497 PolarHBondContact NZ-OE2 3.43Å; K493-E497 WeakPolarHBondContact O-CG 3.23Å; K493-E497 PolarHBondContact O-N 3.21Å; K493-L521 HydrophobicContact CB-CD1 4.06Å; K493-L521 HydrophobicContact CB-CD2 4.09Å; K493-L521 HydrophobicContact CB-CG 3.9Å; K493-L521 HydrophobicContact CD-CD1 4.47Å; K493-L521 HydrophobicContact CG-CD1 4.45Å; K493-L521 HydrophobicContact CG-CG 4.28Å; K493-I524 WeakPolarHBondContact CE-O 3.22Å; K493-S526 PolarHBondContact NZ-OG 3.03Å; K493-S526 VanDerWaalsContact NZ-OG 3.11Å; K493-L529 HydrophobicContact CD-CD1 3.69Å
494I89.1Confident84.7Confident52 Ų5242.4 Ų42.427%0.26726%0.259SS..Hα-helixtrans-61.6-35.2-178.8-66.7165.4000111.3V490 G491 Q498V490-I494 HydrophobicContact CG1-CD1 3.92Å; V490-I494 WeakPolarHBondContact O-CG1 3.43Å; V490-I494 PolarHBondContact O-N 3.02Å; V490-I494 VanDerWaalsContact O-N 3.08Å; G491-I494 PolarHBondContact O-N 2.97Å; I494-Q498 VanDerWaalsContact O-CG 3.31Å; I494-Q498 WeakPolarHBondContact O-CG 3.43Å; I494-Q498 PolarHBondContact O-N 3.18Å
495W92.3Very high83Confident23 Ų2340.9 Ų40.99%0.08725%0.251CS..Hα-helixtrans-67.4-44.7173.717783.8000112.4V463 L467 L470 L473 I476 G491 M492 K493 E497 Q498 L499V463-W495 HydrophobicContact CG1-CB 4.1Å; V463-W495 HydrophobicContact CG1-CG 4.18Å; V463-W495 HydrophobicContact CG2-CB 3.63Å; V463-W495 HydrophobicContact CG2-CG 4.17Å; L467-W495 HydrophobicContact CB-CD2 3.87Å; L467-W495 HydrophobicContact CB-CE3 4.29Å; L467-W495 HydrophobicContact CB-CG 4.33Å; L467-W495 HydrophobicContact CB-CH2 4.26Å; L467-W495 HydrophobicContact CB-CZ2 3.85Å; L467-W495 HydrophobicContact CB-CZ3 4.46Å; L467-W495 HydrophobicContact CD1-CD2 4.12Å; L467-W495 HydrophobicContact CD1-CE3 3.81Å; L467-W495 HydrophobicContact CD1-CZ3 4.07Å; L467-W495 HydrophobicContact CD2-CH2 3.96Å; L467-W495 HydrophobicContact CD2-CZ2 4.32Å; L467-W495 HydrophobicContact CD2-CZ3 4.1Å; L467-W495 HydrophobicContact CG-CE3 4.46Å; L467-W495 HydrophobicContact CG-CZ3 4.45Å; L467-W495 PolarHBondContact O-NE1 3.23Å; L470-W495 HydrophobicContact CD1-CZ2 4.4Å; L473-W495 HydrophobicContact CD2-CH2 3.94Å; L473-W495 HydrophobicContact CD2-CZ2 3.98Å; I476-W495 HydrophobicContact CD1-CH2 3.98Å; I476-W495 HydrophobicContact CD1-CZ3 4.49Å; I476-W495 HydrophobicContact CG2-CH2 4.44Å; G491-W495 PolarHBondContact O-N 2.85Å; M492-W495 PolarHBondContact O-N 3.24Å; K493-W495 VanDerWaalsContact C-N 3.26Å; K493-W495 PolarHBondContact O-N 3.1Å; W495-E497 VanDerWaalsContact C-N 3.25Å; W495-E497 PolarHBondContact O-N 3.37Å; W495-Q498 PolarHBondContact O-N 2.87Å; W495-L499 HydrophobicContact CD2-CD1 4.48Å; W495-L499 HydrophobicContact CE3-CD1 4.15Å; W495-L499 HydrophobicContact CH2-CD1 3.77Å; W495-L499 HydrophobicContact CZ2-CD1 4.1Å; W495-L499 HydrophobicContact CZ2-CD2 4.05Å; W495-L499 HydrophobicContact CZ2-CG 4.5Å; W495-L499 HydrophobicContact CZ3-CD1 3.8Å; W495-L499 PolarHBondContact O-N 3.11Å
496L89.9Confident81.9Confident9 Ų941.9 Ų41.95%0.04726%0.256CS..Hα-helixtrans-60.8-34.7175.6-67.3163.7000112.1L478 M492 K493 Q498 L499 V504 V508 L521 R522L478-L496 HydrophobicContact CD1-CD2 4Å; M492-L496 HydrophobicContact CE-CD1 4.21Å; M492-L496 HydrophobicContact CG-CD1 4.29Å; M492-L496 VanDerWaalsContact O-CG 3.24Å; M492-L496 WeakPolarHBondContact O-CG 2.98Å; M492-L496 PolarHBondContact O-N 3.09Å; K493-L496 WeakPolarHBondContact O-CB 3.45Å; K493-L496 PolarHBondContact O-N 3.02Å; K493-L496 VanDerWaalsContact O-N 3.13Å; L496-Q498 VanDerWaalsContact C-N 3.29Å; L496-Q498 PolarHBondContact O-N 2.81Å; L496-L499 HydrophobicContact CD2-CD1 4.39Å; L496-L499 PolarHBondContact O-N 3.36Å; L496-V504 HydrophobicContact CD2-CG1 4.34Å; L496-V504 HydrophobicContact CD2-CG2 3.62Å; L496-V508 HydrophobicContact CD1-CB 4.3Å; L496-V508 HydrophobicContact CD1-CG1 4.32Å; L496-V508 HydrophobicContact CD1-CG2 3.88Å; L496-V508 HydrophobicContact CD2-CG2 4.33Å; L496-L521 HydrophobicContact CD1-CD2 3.95Å; L496-R522 HydrophobicContact CB-CG 4.32Å
497E86.5Confident81.4Confident97 Ų9744.1 Ų44.145%0.45326%0.262SS..Hα-helixtrans-72.2-17.9176.3-70.3171.2147.100113.5K493 W495K493-E497 WeakPolarHBondContact CE-OE1 3.35Å; K493-E497 IonicContact NZ-OE1 2.75Å; K493-E497 PolarHBondContact NZ-OE1 3.04Å; K493-E497 IonicContact NZ-OE2 2.8Å; K493-E497 PolarHBondContact NZ-OE2 3.43Å; K493-E497 WeakPolarHBondContact O-CG 3.23Å; K493-E497 PolarHBondContact O-N 3.21Å; W495-E497 VanDerWaalsContact C-N 3.25Å; W495-E497 PolarHBondContact O-N 3.37Å
498Q85.8Confident81.4Confident145 Ų14541.6 Ų41.668%0.67825%0.245SC*.Hα-helixtrans-92.1-10.8176.6-72.2172.419.700113.8I494 W495 L496I494-Q498 VanDerWaalsContact O-CG 3.31Å; I494-Q498 WeakPolarHBondContact O-CG 3.43Å; I494-Q498 PolarHBondContact O-N 3.18Å; W495-Q498 PolarHBondContact O-N 2.87Å; L496-Q498 VanDerWaalsContact C-N 3.29Å; L496-Q498 PolarHBondContact O-N 2.81Å
499L79.3Confident81.4Confident41 Ų4137.8 Ų37.822%0.21523%0.226CC..SBendtrans-75.2153.6178.6-65.3176000112.1W495 L496 T503 V504W495-L499 HydrophobicContact CD2-CD1 4.48Å; W495-L499 HydrophobicContact CE3-CD1 4.15Å; W495-L499 HydrophobicContact CH2-CD1 3.77Å; W495-L499 HydrophobicContact CZ2-CD1 4.1Å; W495-L499 HydrophobicContact CZ2-CD2 4.05Å; W495-L499 HydrophobicContact CZ2-CG 4.5Å; W495-L499 HydrophobicContact CZ3-CD1 3.8Å; W495-L499 PolarHBondContact O-N 3.11Å; L496-L499 HydrophobicContact CD2-CD1 4.39Å; L496-L499 PolarHBondContact O-N 3.36Å; L499-T503 HydrophobicContact CB-CG2 4.39Å; L499-T503 HydrophobicContact CD1-CG2 4.14Å; L499-T503 HydrophobicContact CD2-CG2 4.33Å; L499-V504 HydrophobicContact CD1-CG2 3.64Å
500S75.9Confident81.5Confident83 Ų8337.9 Ų37.958%0.5823%0.227SC*.PPolyproline II helixtrans-60.5140.9171.328.60000111.9G502 T503S500-G502 PolarHBondContact O-N 3.45Å; S500-G502 VanDerWaalsContact O-N 3.17Å; S500-T503 WeakPolarHBondContact O-CB 3.06Å; S500-T503 PolarHBondContact O-N 2.8Å; S500-T503 PolarHBondContact O-OG1 3.42Å; S500-T503 PolarHBondContact OG-OG1 2.03Å
501A62.9Low81.6Confident86 Ų8641.5 Ų41.571%0.71124%0.244SC*.THydrogen-bonded Turntrans-56120.9175.500000110.6
502G59Low81.6Confident34 Ų3442.2 Ų42.235%0.35124%0.241SC..THydrogen-bonded Turntrans99.7-12-175.400000115.5S500 K800S500-G502 PolarHBondContact O-N 3.45Å; S500-G502 VanDerWaalsContact O-N 3.17Å; G502-K800 VanDerWaalsContact O-CD 3.31Å; G502-K800 WeakPolarHBondContact O-CD 3.42Å
503T69.3Low81.5Confident6 Ų644.2 Ų44.24%0.03725%0.254CS..SBendtrans-68-40178-67.10000112.7L473 V474 Q475 I476 L499 S500L473-T503 HydrophobicContact CD2-CG2 4.32Å; L473-T503 HydrophobicContact CG-CG2 4.29Å; V474-T503 WeakPolarHBondContact O-CA 3.01Å; V474-T503 WeakPolarHBondContact O-CG2 3.29Å; V474-T503 PolarHBondContact O-OG1 3.1Å; Q475-T503 CarbonylContact C-O 3.52Å; Q475-T503 VanDerWaalsContact CA-O 3.29Å; Q475-T503 WeakPolarHBondContact CA-O 3.42Å; I476-T503 PolarHBondContact N-O 3.36Å; L499-T503 HydrophobicContact CB-CG2 4.39Å; L499-T503 HydrophobicContact CD1-CG2 4.14Å; L499-T503 HydrophobicContact CD2-CG2 4.33Å; S500-T503 WeakPolarHBondContact O-CB 3.06Å; S500-T503 PolarHBondContact O-N 2.8Å; S500-T503 PolarHBondContact O-OG1 3.42Å; S500-T503 PolarHBondContact OG-OG1 2.03Å
504V77.2Confident81.3Confident8 Ų850.1 Ų50.15%0.04829%0.29CS..BIsolated β-bridgetrans-80.7123.1169.5-166.30000108I476 L496 L499 N506 V508 K800I476-V504 HydrophobicContact CG2-CG2 4.23Å; I476-V504 WeakPolarHBondContact O-CA 3.31Å; L496-V504 HydrophobicContact CD2-CG1 4.34Å; L496-V504 HydrophobicContact CD2-CG2 3.62Å; L499-V504 HydrophobicContact CD1-CG2 3.64Å; V504-N506 WeakPolarHBondContact CG1-O 3.32Å; V504-V508 HydrophobicContact CG1-CG2 4.37Å; V504-K800 PolarHBondContact O-NZ 3.27Å
505V58.1Low81.2Confident4 Ų458.6 Ų58.62%0.02432%0.319CS..  trans-70.4-40.3-175.4-1790000111.4Q475 I476 D477 E796 K800Q475-V505 HydrophobicContact CG-CG2 3.39Å; I476-V505 WeakPolarHBondContact O-CG2 3.18Å; I476-V505 PolarHBondContact O-N 2.86Å; D477-V505 HydrophobicContact CB-CB 4.11Å; D477-V505 HydrophobicContact CB-CG2 4.27Å; V505-E796 HydrophobicContact CG1-CB 3.48Å; V505-E796 VanDerWaalsContact CG1-CB 3.48Å; V505-E796 VanDerWaalsContact CG1-O 3.25Å; V505-E796 WeakPolarHBondContact CG1-O 3.39Å; V505-K800 VanDerWaalsContact C-NZ 3.35Å; V505-K800 WeakPolarHBondContact O-CE 3.39Å; V505-K800 PolarHBondContact O-NZ 2.89Å
506N69.6Low81.1Confident22 Ų2259 Ų5912%0.11832%0.321CS..SBendtrans-125.9-175.4-173-66.3-44000112.5D477 F479 V504 E796D477-N506 VanDerWaalsContact CG-ND2 3.3Å; D477-N506 PolarHBondContact OD1-ND2 3.14Å; D477-N506 PolarHBondContact OD2-ND2 2.89Å; F479-N506 HydrophobicContact CB-CB 3.71Å; F479-N506 HydrophobicContact CD2-CB 4.06Å; F479-N506 HydrophobicContact CG-CB 3.95Å; V504-N506 WeakPolarHBondContact CG1-O 3.32Å; N506-E796 VanDerWaalsContact ND2-CD 3.28Å; N506-E796 PolarHBondContact ND2-OE2 3.02Å; N506-E796 VanDerWaalsContact OD1-CD 3.3Å; N506-E796 PolarHBondContact OD1-OE1 2.84Å
507E81.3Confident81Confident86 Ų8663.9 Ų63.940%0.40234%0.342SS..  trans-82.4148.1167.6-58.1-158.815700110.9V509 D520E507-V509 HydrophobicContact CB-CG2 4.07Å; E507-V509 PolarHBondContact O-N 3.13Å; E507-D520 HydrophobicContact CB-CB 4.07Å; E507-D520 HydrophobicContact CG-CB 4.5Å
508V88.3Confident80.9Confident0 Ų062 Ų620%035%0.349CS..  trans-99.376.2-178.9-179.90000107.3L478 W483 M492 L496 V504 C510 D520 L521L478-V508 HydrophobicContact CB-CG2 4.26Å; L478-V508 HydrophobicContact CD1-CG2 4.17Å; W483-V508 HydrophobicContact CD2-CG1 4.13Å; W483-V508 HydrophobicContact CG-CG1 3.99Å; M492-V508 HydrophobicContact CE-CG1 3.64Å; L496-V508 HydrophobicContact CD1-CB 4.3Å; L496-V508 HydrophobicContact CD1-CG1 4.32Å; L496-V508 HydrophobicContact CD1-CG2 3.88Å; L496-V508 HydrophobicContact CD2-CG2 4.33Å; V504-V508 HydrophobicContact CG1-CG2 4.37Å; V508-C510 PolarHBondContact O-N 3.02Å; V508-D520 PolarHBondContact N-OD1 2.88Å; V508-L521 HydrophobicContact CB-CB 4.13Å; V508-L521 HydrophobicContact CG1-CB 4.03Å; V508-L521 HydrophobicContact CG1-CD2 4.08Å; V508-L521 WeakPolarHBondContact O-CB 3.02Å; V508-L521 PolarHBondContact O-N 3.04Å
509V88.8Confident81Confident49 Ų4957.5 Ų57.530%0.29733%0.331SS..BIsolated β-bridgetrans-74.5119.9-170.5-175.70000111.3F479 E507 T519F479-V509 HydrophobicContact CE2-CG2 4.47Å; E507-V509 HydrophobicContact CB-CG2 4.07Å; E507-V509 PolarHBondContact O-N 3.13Å; V509-T519 WeakPolarHBondContact CA-O 3.41Å
510C93.6Very high81.5Confident1 Ų156.2 Ų56.21%0.00733%0.325CS..EExtended strand (participates in β ladder)trans-64.6133.5175.2-58.70000111.8C485 V508 H516 K517 G518 T519 I524C485-C510 HydrophobicContact CB-CB 3.7Å; C485-C510 WeakPolarHBondContact CB-SG 3.25Å; C485-C510 WeakPolarHBondContact SG-CB 3.37Å; C485-C510 CovalentContact SG-SG 2.02Å; C485-C510 PolarHBondContact SG-SG 2.82Å; V508-C510 PolarHBondContact O-N 3.02Å; C510-H516 HydrophobicContact CB-CB 4.28Å; C510-H516 VanDerWaalsContact CB-O 3.29Å; C510-H516 WeakPolarHBondContact CB-O 3.32Å; C510-K517 CarbonylContact O-C 3.5Å; C510-K517 WeakPolarHBondContact O-CA 3.23Å; C510-G518 PolarHBondContact O-N 3.03Å; C510-T519 WeakPolarHBondContact CB-O 3.01Å; C510-T519 PolarHBondContact N-O 3.07Å; C510-T519 PolarHBondContact SG-O 2.67Å; C510-T519 VanDerWaalsContact SG-O 3.36Å; C510-I524 VanDerWaalsContact SG-CD1 3.5Å
511E92.6Very high82.2Confident79 Ų7952.3 Ų52.337%0.36930%0.297SS..EExtended strand (participates in β ladder)trans-102.7-35173.1170.755.3-157.100111.2P482 W483 K517P482-E511 HydrophobicContact CB-CB 4.24Å; P482-E511 HydrophobicContact CB-CG 4.09Å; W483-E511 PolarHBondContact O-N 3.3Å; E511-K517 WeakPolarHBondContact O-CB 3.24Å; E511-K517 WeakPolarHBondContact O-CD 2.99Å; E511-K517 WeakPolarHBondContact O-CG 3.14Å; E511-K517 IonicContact OE1-NZ 3.36Å; E511-K517 PolarHBondContact OE1-NZ 3.39Å; E511-K517 WeakPolarHBondContact OE2-CE 3.41Å; E511-K517 IonicContact OE2-NZ 2.96Å; E511-K517 PolarHBondContact OE2-NZ 2.94Å
512T90Very high83.4Confident52 Ų5251.3 Ų51.332%0.31928%0.275SS..EExtended strand (participates in β ladder)trans-129.3164.7170.654.30000110.8W483 D484 C485W483-T512 PolarHBondContact O-N 2.85Å; W483-T512 VanDerWaalsContact O-N 3.13Å; D484-T512 WeakPolarHBondContact CA-OG1 3.35Å; D484-T512 VanDerWaalsContact CB-OG1 3.31Å; D484-T512 WeakPolarHBondContact CB-OG1 3.48Å; D484-T512 VanDerWaalsContact CG-OG1 3.27Å; D484-T512 WeakPolarHBondContact OD1-CB 3.16Å; D484-T512 PolarHBondContact OD1-OG1 2.95Å; C485-T512 PolarHBondContact N-O 3.01Å
513P90.6Very high84.7Confident44 Ų4452 Ų5229%0.28627%0.274SS..SBendcis-67.7164.8-17.832.6-36.3000111.2C485 R515 H516 K517C485-P513 VanDerWaalsContact C-CD 3.49Å; C485-P513 VanDerWaalsContact O-CD 3.24Å; C485-P513 WeakPolarHBondContact O-CD 3.45Å; P513-R515 PolarHBondContact O-N 2.75Å; P513-H516 PolarHBondContact O-N 3.22Å; P513-K517 PolarHBondContact O-N 3.06Å; P513-K517 VanDerWaalsContact O-N 3.17Å
514V87.6Confident85.6Confident131 Ų13152 Ų5279%0.79427%0.274SS*.THydrogen-bonded Turntrans-54.7-21.4-175.4-1750000114H516V514-H516 VanDerWaalsContact C-N 3.3Å; V514-H516 PolarHBondContact O-N 3.31Å
515R87.6Confident86Confident231 Ų23156.7 Ų56.787%0.87230%0.296SS*.THydrogen-bonded Turntrans-65.8-28.4173.8-64.7-177.9-179.4174.90.6114.2P513P513-R515 PolarHBondContact O-N 2.75Å
516H88.9Confident87.3Confident31 Ų3157.5 Ų57.514%0.14430%0.302CS..THydrogen-bonded Turntrans-117.80.3-176.4-61.4-63.8000112.5C485 C510 P513 V514 G518 T519 I524C485-H516 HydrophobicContact CB-CB 4.33Å; C510-H516 HydrophobicContact CB-CB 4.28Å; C510-H516 VanDerWaalsContact CB-O 3.29Å; C510-H516 WeakPolarHBondContact CB-O 3.32Å; P513-H516 PolarHBondContact O-N 3.22Å; V514-H516 VanDerWaalsContact C-N 3.3Å; V514-H516 PolarHBondContact O-N 3.31Å; H516-G518 PolarHBondContact O-N 2.9Å; H516-T519 PolarHBondContact O-N 2.91Å; H516-T519 VanDerWaalsContact O-N 3.1Å; H516-T519 PolarHBondContact O-OG1 3.15Å; H516-I524 HydrophobicContact CB-CD1 3.86Å
517K88.2Confident88Confident111 Ų11162.1 Ų62.148%0.48332%0.323SS..THydrogen-bonded Turntrans-56.1124.5179.1177.8166.7178.2147.90111.1C510 E511 P513C510-K517 CarbonylContact O-C 3.5Å; C510-K517 WeakPolarHBondContact O-CA 3.23Å; E511-K517 WeakPolarHBondContact O-CB 3.24Å; E511-K517 WeakPolarHBondContact O-CD 2.99Å; E511-K517 WeakPolarHBondContact O-CG 3.14Å; E511-K517 IonicContact OE1-NZ 3.36Å; E511-K517 PolarHBondContact OE1-NZ 3.39Å; E511-K517 WeakPolarHBondContact OE2-CE 3.41Å; E511-K517 IonicContact OE2-NZ 2.96Å; E511-K517 PolarHBondContact OE2-NZ 2.94Å; P513-K517 PolarHBondContact O-N 3.06Å; P513-K517 VanDerWaalsContact O-N 3.17Å
518G84.9Confident88Confident58 Ų5863.5 Ų63.560%0.59833%0.329SS*.THydrogen-bonded Turntrans84.218.8-179.100000115C510 H516C510-G518 PolarHBondContact O-N 3.03Å; H516-G518 PolarHBondContact O-N 2.9Å
519T87.8Confident87.8Confident50 Ų5064 Ų6431%0.30733%0.332SS..SBendtrans-116.3142173.760.90000111.3V509 C510 H516V509-T519 WeakPolarHBondContact CA-O 3.41Å; C510-T519 WeakPolarHBondContact CB-O 3.01Å; C510-T519 PolarHBondContact N-O 3.07Å; C510-T519 PolarHBondContact SG-O 2.67Å; C510-T519 VanDerWaalsContact SG-O 3.36Å; H516-T519 PolarHBondContact O-N 2.91Å; H516-T519 VanDerWaalsContact O-N 3.1Å; H516-T519 PolarHBondContact O-OG1 3.15Å
520D89.4Confident87.6Confident15 Ų1562.4 Ų62.48%0.0832%0.322CS..BIsolated β-bridgetrans-66.2132171.6179.431.9000110.6E507 V508 R522 S523E507-D520 HydrophobicContact CB-CB 4.07Å; E507-D520 HydrophobicContact CG-CB 4.5Å; V508-D520 PolarHBondContact N-OD1 2.88Å; D520-R522 PolarHBondContact O-N 3.4Å; D520-R522 IonicContact OD1-CZ 3.79Å; D520-R522 IonicContact OD1-NE 3.43Å; D520-R522 PolarHBondContact OD1-NE 3.37Å; D520-R522 IonicContact OD1-NH2 2.69Å; D520-R522 IonicContact OD2-CZ 2.59Å; D520-R522 IonicContact OD2-NE 3.23Å; D520-R522 PolarHBondContact OD2-NE 3.35Å; D520-R522 IonicContact OD2-NH2 3.96Å; D520-R522 PolarHBondContact OD2-NH2 2.79Å; D520-S523 PolarHBondContact O-N 3.37Å; D520-S523 PolarHBondContact O-OG 3.49Å
521L91.3Very high86.5Confident0 Ų067.5 Ų67.50%036%0.355CS..THydrogen-bonded Turntrans-54.1-27.8-179.1176.858000113.8I489 M492 K493 L496 V508 L529I489-L521 HydrophobicContact CD1-CD2 3.88Å; I489-L521 HydrophobicContact CG1-CD2 3.83Å; I489-L521 HydrophobicContact CG2-CD1 3.47Å; I489-L521 VanDerWaalsContact CG2-CD1 3.47Å; I489-L521 HydrophobicContact CG2-CD2 4.14Å; I489-L521 HydrophobicContact CG2-CG 4.47Å; M492-L521 HydrophobicContact CE-CD2 3.78Å; K493-L521 HydrophobicContact CB-CD1 4.06Å; K493-L521 HydrophobicContact CB-CD2 4.09Å; K493-L521 HydrophobicContact CB-CG 3.9Å; K493-L521 HydrophobicContact CD-CD1 4.47Å; K493-L521 HydrophobicContact CG-CD1 4.45Å; K493-L521 HydrophobicContact CG-CG 4.28Å; L496-L521 HydrophobicContact CD1-CD2 3.95Å; V508-L521 HydrophobicContact CB-CB 4.13Å; V508-L521 HydrophobicContact CG1-CB 4.03Å; V508-L521 HydrophobicContact CG1-CD2 4.08Å; V508-L521 WeakPolarHBondContact O-CB 3.02Å; V508-L521 PolarHBondContact O-N 3.04Å; L521-L529 HydrophobicContact CD1-CD1 3.78Å; L521-L529 HydrophobicContact CD1-CD2 4.42Å
522R87.5Confident85.2Confident65 Ų6570.7 Ų70.725%0.24538%0.375CS..THydrogen-bonded Turntrans-84.2-0.9-178.3-52.8166.8-60.6-1764.7114.3L496 D520L496-R522 HydrophobicContact CB-CG 4.32Å; D520-R522 PolarHBondContact O-N 3.4Å; D520-R522 IonicContact OD1-CZ 3.79Å; D520-R522 IonicContact OD1-NE 3.43Å; D520-R522 PolarHBondContact OD1-NE 3.37Å; D520-R522 IonicContact OD1-NH2 2.69Å; D520-R522 IonicContact OD2-CZ 2.59Å; D520-R522 IonicContact OD2-NE 3.23Å; D520-R522 PolarHBondContact OD2-NE 3.35Å; D520-R522 IonicContact OD2-NH2 3.96Å; D520-R522 PolarHBondContact OD2-NH2 2.79Å
523S87.1Confident83.7Confident48 Ų4873.7 Ų73.734%0.33638%0.381SS..THydrogen-bonded Turntrans-100.1-28171.769.10000112.9D520 Q525D520-S523 PolarHBondContact O-N 3.37Å; D520-S523 PolarHBondContact O-OG 3.49Å; S523-Q525 PolarHBondContact O-NE2 3.03Å
524I87.1Confident81.5Confident7 Ų776.8 Ų76.84%0.03640%0.4CS..SBendtrans-66.5136.4176.2-45.6169.1000109.6C485 K493 C510 H516 Q528 L529C485-I524 HydrophobicContact CB-CD1 4.23Å; K493-I524 WeakPolarHBondContact CE-O 3.22Å; C510-I524 VanDerWaalsContact SG-CD1 3.5Å; H516-I524 HydrophobicContact CB-CD1 3.86Å; I524-Q528 HydrophobicContact CG2-CB 3.98Å; I524-L529 HydrophobicContact CB-CD2 4.31Å; I524-L529 HydrophobicContact CB-CG 4.33Å; I524-L529 HydrophobicContact CD1-CD2 3.92Å; I524-L529 HydrophobicContact CG2-CD1 4.44Å; I524-L529 HydrophobicContact CG2-CD2 3.79Å; I524-L529 HydrophobicContact CG2-CG 3.75Å
525Q85.3Confident79.5Confident106 Ų10676.4 Ų76.450%0.49539%0.393SS..  trans-79.4147.1176.3-59.2-59.2-60.700111.3S523 E527 Q528 L529S523-Q525 PolarHBondContact O-NE2 3.03Å; Q525-E527 WeakPolarHBondContact CB-OE2 3.39Å; Q525-E527 PolarHBondContact O-N 2.88Å; Q525-Q528 HydrophobicContact CB-CG 4.13Å; Q525-Q528 WeakPolarHBondContact O-CB 3.24Å; Q525-Q528 PolarHBondContact O-N 2.75Å; Q525-L529 PolarHBondContact O-N 2.89Å
526S86.6Confident76.9Confident22 Ų2269.9 Ų69.915%0.15438%0.383CS..Hα-helixtrans-60-35.1-172.1-58.10000112.7K493 Q528 L529 C530K493-S526 PolarHBondContact NZ-OG 3.03Å; K493-S526 VanDerWaalsContact NZ-OG 3.11Å; S526-Q528 VanDerWaalsContact C-N 3.28Å; S526-Q528 PolarHBondContact O-N 3.08Å; S526-L529 PolarHBondContact O-N 3.36Å; S526-C530 PolarHBondContact O-N 3.26Å
527E82.6Confident74.4Confident118 Ų11877.2 Ų77.255%0.55141%0.411SS*.Hα-helixtrans-72.9-19.7179.1-47.876-170.100112.5Q525 C530 P531Q525-E527 WeakPolarHBondContact CB-OE2 3.39Å; Q525-E527 PolarHBondContact O-N 2.88Å; E527-C530 CarbonylContact O-C 3.5Å; E527-P531 WeakPolarHBondContact O-CA 3.45Å
528Q81.7Confident71.8Confident116 Ų11678.3 Ų78.354%0.54243%0.426SS..Hα-helixtrans-81-35.4174.6-62.3173.7-19.200111.2I524 Q525 S526I524-Q528 HydrophobicContact CG2-CB 3.98Å; Q525-Q528 HydrophobicContact CB-CG 4.13Å; Q525-Q528 WeakPolarHBondContact O-CB 3.24Å; Q525-Q528 PolarHBondContact O-N 2.75Å; S526-Q528 VanDerWaalsContact C-N 3.28Å; S526-Q528 PolarHBondContact O-N 3.08Å
529L84.3Confident69.1Low11 Ų1179.7 Ų79.76%0.05843%0.427CS..Hα-helixtrans-71.7-38.3172.8-63.8171.2000111.7C485 C487 I489 V490 K493 L521 I524 Q525 S526C485-L529 HydrophobicContact CB-CD2 3.79Å; C485-L529 VanDerWaalsContact O-CD2 3.28Å; C485-L529 WeakPolarHBondContact O-CD2 3.17Å; C487-L529 PolarHBondContact N-O 2.79Å; I489-L529 HydrophobicContact CG2-CD1 4.29Å; V490-L529 HydrophobicContact CG2-CB 3.62Å; V490-L529 HydrophobicContact CG2-CD1 3.99Å; V490-L529 HydrophobicContact CG2-CG 4.47Å; K493-L529 HydrophobicContact CD-CD1 3.69Å; L521-L529 HydrophobicContact CD1-CD1 3.78Å; L521-L529 HydrophobicContact CD1-CD2 4.42Å; I524-L529 HydrophobicContact CB-CD2 4.31Å; I524-L529 HydrophobicContact CB-CG 4.33Å; I524-L529 HydrophobicContact CD1-CD2 3.92Å; I524-L529 HydrophobicContact CG2-CD1 4.44Å; I524-L529 HydrophobicContact CG2-CD2 3.79Å; I524-L529 HydrophobicContact CG2-CG 3.75Å; Q525-L529 PolarHBondContact O-N 2.89Å; S526-L529 PolarHBondContact O-N 3.36Å
530C84.9Confident66.6Low14 Ų1483.1 Ų83.110%0.09545%0.45CS..  trans-145.295.4-178.9-158.90000112.3C487 V490 S526 E527 D532 Y533C487-C530 HydrophobicContact CB-CB 3.55Å; C487-C530 WeakPolarHBondContact CB-SG 3.38Å; C487-C530 WeakPolarHBondContact SG-CB 3.22Å; C487-C530 CovalentContact SG-SG 2.04Å; C487-C530 PolarHBondContact SG-SG 3.04Å; V490-C530 HydrophobicContact CG2-CB 4.1Å; S526-C530 PolarHBondContact O-N 3.26Å; E527-C530 CarbonylContact O-C 3.5Å; C530-D532 PolarHBondContact O-N 2.69Å; C530-Y533 VanDerWaalsContact O-CB 3.31Å; C530-Y533 WeakPolarHBondContact O-CB 3.5Å; C530-Y533 PolarHBondContact O-N 2.81Å
531P70.6Confident63.8Low108 Ų10888.6 Ų88.670%0.70148%0.484SS*.THydrogen-bonded Turntrans-61.9-24.1-177.8-26.636.2000115.2E527E527-P531 WeakPolarHBondContact O-CA 3.45Å
532D64.6Low61.2Low146 Ų14693.5 Ų93.578%0.78152%0.516SS*.THydrogen-bonded Turntrans-90.43.9178.5-62.2-51.6000113.1C530 T534C530-D532 PolarHBondContact O-N 2.69Å; D532-T534 PolarHBondContact O-N 3.12Å
533Y58.1Low58.6Low115 Ų11596.4 Ų96.445%0.45154%0.543SS..  trans-76.270.4176.7-160.4-86.9000110.6V490 C530V490-Y533 HydrophobicContact CG1-CD2 4.24Å; V490-Y533 HydrophobicContact CG1-CE2 4.08Å; C530-Y533 VanDerWaalsContact O-CB 3.31Å; C530-Y533 WeakPolarHBondContact O-CB 3.5Å; C530-Y533 PolarHBondContact O-N 2.81Å
534T46.4Very low55.8Low109 Ų109100.8 Ų100.867%0.66957%0.568SS**  trans-64.1136.1170.656.40000110D532 S536D532-T534 PolarHBondContact O-N 3.12Å; T534-S536 PolarHBondContact O-N 3.19Å
535D44.5Very low53.3Low123 Ų123109.1 Ų109.166%0.65861%0.607SS**  trans-68.567.9178.4-120.3-7.7000112.1Y537D535-Y537 HydrophobicContact CB-CD2 4.31Å; D535-Y537 HydrophobicContact CB-CE2 4.43Å; D535-Y537 PolarHBondContact O-N 3.4Å
536S33.8Very low50.6Low94 Ų94112.9 Ų112.966%0.65763%0.625SS**  trans-75.271169.966.90000109.2T534 V538T534-S536 PolarHBondContact O-N 3.19Å; S536-V538 PolarHBondContact O-N 3.12Å
537Y35.3Very low47.8Very low185 Ų185117.7 Ų117.773%0.72566%0.655SS**  trans-51.5107.3162.7-87.9-92.3000108.3D535 S539D535-Y537 HydrophobicContact CB-CD2 4.31Å; D535-Y537 HydrophobicContact CB-CE2 4.43Å; D535-Y537 PolarHBondContact O-N 3.4Å; Y537-S539 PolarHBondContact O-N 3.23Å
538V34Very low45.2Very low134 Ų134120.7 Ų120.781%0.81267%0.671SS**  trans-7274.3172-175.30000108.1S536S536-V538 PolarHBondContact O-N 3.12Å
539S28.9Very low42.6Very low88 Ų88122.1 Ų122.162%0.61568%0.683SS**  trans-59.3128.1158.2-65.10000106.9Y537 T541Y537-S539 PolarHBondContact O-N 3.23Å; S539-T541 PolarHBondContact O-N 3.21Å
540P35.6Very low39.9Very low122 Ų122127.2 Ų127.279%0.79271%0.71SS**  trans-69.298.1-175.626.8-34.1000110.2P542P540-P542 WeakPolarHBondContact O-CD 3.45Å
541T29.3Very low37.4Very low129 Ų129134.2 Ų134.279%0.79174%0.741SS**PPolyproline II helixtrans-58.8121.1163.746.30000108.4S539S539-T541 PolarHBondContact O-N 3.21Å
542P37.3Very low35.4Very low104 Ų104134.7 Ų134.768%0.67574%0.742SS**PPolyproline II helixtrans-59.5144.8172.4-20.933000110P540 T544P540-P542 WeakPolarHBondContact O-CD 3.45Å; P542-T544 PolarHBondContact O-N 3.32Å; P542-T544 VanDerWaalsContact O-N 3.17Å
543P33.3Very low33.7Very low125 Ų125133 Ų13381%0.81274%0.737SS**PPolyproline II helixtrans-59.5123.4169.127-33.1000108.3
544T28Very low32.3Very low141 Ų141133.3 Ų133.387%0.86575%0.75SS**PPolyproline II helixtrans-83.1116.4173.9-50.90000107.8P542P542-T544 PolarHBondContact O-N 3.32Å; P542-T544 VanDerWaalsContact O-N 3.17Å
545E33.2Very low31.3Very low181 Ų181133.2 Ų133.285%0.84675%0.75SS**PPolyproline II helixtrans-70.6151.3172.5-66-176132.800110.7
546E28.9Very low30.5Very low186 Ų186135 Ų13587%0.86976%0.759SS**PPolyproline II helixtrans-68.3156.6173.9-80.2-172.5157.800111.5
547P29.4Very low30.1Very low122 Ų122134.9 Ų134.979%0.79277%0.765SS**PPolyproline II helixtrans-77.5153.6-159.630.5-36.9000114.3
548M27.3Very low30.6Very low181 Ų181131.7 Ų131.789%0.89277%0.766SS**  trans-108.7139.9146.5-70.3-166.168.900109.2
549D27.7Very low30.3Very low147 Ų147134 Ų13479%0.78677%0.768SS**  trans-57.5156159.6-55.8-68.4000109.1
550D27.3Very low30.5Very low118 Ų118139.4 Ų139.463%0.63178%0.781SS**  cis-166.6168.738.8-147.1-11.2000112.5
551H31.9Very low30.1Very low160 Ų160143.2 Ų143.274%0.74179%0.785SS**  trans39.4146.6148.2-73.810.4000123.3
552V29.6Very low30.2Very low118 Ų118142 Ų14272%0.71578%0.782SS**  cis-173.6153.1-21.993.40000110.7
553V28.7Very low30.5Very low111 Ų111143.1 Ų143.167%0.67379%0.789SS**  trans65.1104.5153.9170.50000121.9
554T27.9Very low30.4Very low121 Ų121142.9 Ų142.974%0.74279%0.79SS**  trans61163.9139.770.80000120.8
555T26.2Very low30.9Very low107 Ų107141.4 Ų141.466%0.65679%0.786SS**  cis-155.1154.86-15.90000111.4
556N27.4Very low31.2Very low160 Ų160138.2 Ų138.286%0.85678%0.784SS**  trans62.4161.6152.2-67.3-16.9000120.6
557A26.1Very low32.2Very low93 Ų93135.7 Ų135.777%0.76978%0.781SS**  trans-124.5-167.1-17400000110.2
558P45.3Very low33.8Very low117 Ų117134.5 Ų134.576%0.7677%0.772SS**  cis-126.1165.6-25.237-23.3000112.7
559Q27.1Very low35.5Very low184 Ų184129.6 Ų129.686%0.8675%0.753SS**  trans-135.8140.4157.7-75.4-165.3-11.500112.3
560K32.9Very low37.1Very low201 Ų201128.8 Ų128.887%0.87475%0.748SS**  trans-91.1138.5169.3-67.9176.8176.1178.60109.1
561F27.9Very low39.1Very low201 Ų201126.6 Ų126.688%0.88274%0.742SS**  trans-138.3152.9153-107.7-85.5000110.3
562S32Very low41Very low104 Ų104122.8 Ų122.873%0.72773%0.73SS**  trans-114.6176.3-178.863.60000109.9
563P43Very low43Very low128 Ų128121.4 Ų121.483%0.83172%0.718SS**PPolyproline II helixtrans-79.4147.3-14031.2-38.2000115.6
564S30.2Very low45.5Very low119 Ų119120.8 Ų120.883%0.83271%0.71SS**PPolyproline II helixtrans-9314116148.90000110.9
565S38.6Very low47.6Very low110 Ų110120.1 Ų120.177%0.76970%0.701SS**PPolyproline II helixtrans-74.6140.4179.246.50000112.4T567S565-T567 PolarHBondContact O-N 2.9Å
566S39.2Very low49.9Very low115 Ų115117.8 Ų117.880%0.80469%0.689SS**PPolyproline II helixtrans-70.9116.6173.9550000111.4
567T50.6Low52.5Low132 Ų132115.2 Ų115.281%0.8168%0.675SS**PPolyproline II helixtrans-84.6125.8169.842.50000110.7S565S565-T567 PolarHBondContact O-N 2.9Å
568V62.8Low55.4Low98 Ų98115.6 Ų115.659%0.59466%0.663SS**PPolyproline II helixtrans-78.4132.3177178.80000109.5V572V568-V572 HydrophobicContact CG1-CB 4.44Å
569P63.4Low57.3Low78 Ų78115.4 Ų115.451%0.50666%0.656SS.*PPolyproline II helixtrans-66136.3179.925.7-34.1000112.1S571 V572P569-S571 PolarHBondContact O-N 2.88Å; P569-S571 VanDerWaalsContact O-N 3.08Å; P569-V572 HydrophobicContact CG-CG2 4.02Å; P569-V572 PolarHBondContact O-N 2.81Å; P569-V572 VanDerWaalsContact O-N 3.11Å
570L61.6Low60.2Low130 Ų130111.4 Ų111.468%0.68164%0.643SS**Hα-helixtrans-57-30.4-171.4-153.578.8000113.7V572 L573 I574L570-V572 PolarHBondContact O-N 3.45Å; L570-L573 PolarHBondContact O-N 3.12Å; L570-I574 HydrophobicContact CD2-CD1 4.17Å; L570-I574 HydrophobicContact CG-CD1 4.15Å; L570-I574 VanDerWaalsContact O-CG1 3.31Å; L570-I574 WeakPolarHBondContact O-CG1 3.42Å; L570-I574 PolarHBondContact O-N 2.92Å
571S67.9Low62.9Low72 Ų72108.3 Ų108.350%0.50363%0.63SS.*Hα-helixtrans-60.2-40.8178.1480000113.4P569 L573 I574 L575P569-S571 PolarHBondContact O-N 2.88Å; P569-S571 VanDerWaalsContact O-N 3.08Å; S571-L573 VanDerWaalsContact C-N 3.34Å; S571-I574 PolarHBondContact O-N 2.89Å; S571-L575 WeakPolarHBondContact O-CG 3.5Å; S571-L575 PolarHBondContact O-N 3.13Å
572V73Confident65.8Low80 Ų80102.1 Ų102.149%0.48561%0.605SS.*Hα-helixtrans-68-38.6178.41780000110.5V568 P569 L570 L575 S576V568-V572 HydrophobicContact CG1-CB 4.44Å; P569-V572 HydrophobicContact CG-CG2 4.02Å; P569-V572 PolarHBondContact O-N 2.81Å; P569-V572 VanDerWaalsContact O-N 3.11Å; L570-V572 PolarHBondContact O-N 3.45Å; V572-L575 PolarHBondContact O-N 3.45Å; V572-S576 PolarHBondContact O-N 2.8Å; V572-S576 PolarHBondContact O-OG 2.83Å
573L70.7Confident68.4Low89 Ų89103 Ų10347%0.46660%0.599SS.*Hα-helixtrans-72.2-32.6180-158.7145.1000112L570 S571 S576 L577L570-L573 PolarHBondContact O-N 3.12Å; S571-L573 VanDerWaalsContact C-N 3.34Å; L573-S576 PolarHBondContact O-OG 3.35Å; L573-L577 HydrophobicContact CD2-CD1 3.75Å; L573-L577 HydrophobicContact CD2-CG 4.44Å; L573-L577 WeakPolarHBondContact O-CB 3.13Å; L573-L577 VanDerWaalsContact O-CG 3.27Å; L573-L577 WeakPolarHBondContact O-CG 3.38Å; L573-L577 PolarHBondContact O-N 2.58Å; L573-L577 VanDerWaalsContact O-N 3.15Å
574I81.4Confident70.5Confident97 Ų9799.8 Ų99.850%0.49758%0.58SS.*Hα-helixtrans-68.7-43.8171-69163.5000111L570 S571 L577 L578L570-I574 HydrophobicContact CD2-CD1 4.17Å; L570-I574 HydrophobicContact CG-CD1 4.15Å; L570-I574 VanDerWaalsContact O-CG1 3.31Å; L570-I574 WeakPolarHBondContact O-CG1 3.42Å; L570-I574 PolarHBondContact O-N 2.92Å; S571-I574 PolarHBondContact O-N 2.89Å; I574-L577 PolarHBondContact O-N 2.67Å; I574-L578 WeakPolarHBondContact O-CB 3.41Å; I574-L578 PolarHBondContact O-N 3.06Å
575L72.3Confident73.5Confident108 Ų10897.6 Ų97.657%0.56556%0.562SS**Hα-helixtrans-65-40.8178.3-81.1164.2000112.8S571 V572 L578 L579S571-L575 WeakPolarHBondContact O-CG 3.5Å; S571-L575 PolarHBondContact O-N 3.13Å; V572-L575 PolarHBondContact O-N 3.45Å; L575-L578 PolarHBondContact O-N 3.33Å; L575-L579 PolarHBondContact O-N 3.35Å; L575-L579 VanDerWaalsContact O-N 3.08Å
576S74.4Confident75.9Confident58 Ų5899.3 Ų99.341%0.40656%0.556SS.*Hα-helixtrans-68.1-39.9176.464.80000112.2V572 L573 L578 L579 V580V572-S576 PolarHBondContact O-N 2.8Å; V572-S576 PolarHBondContact O-OG 2.83Å; L573-S576 PolarHBondContact O-OG 3.35Å; S576-L578 VanDerWaalsContact C-N 3.33Å; S576-L578 PolarHBondContact O-N 3.01Å; S576-L579 PolarHBondContact O-N 3.01Å; S576-V580 WeakPolarHBondContact O-CG2 2.91Å; S576-V580 PolarHBondContact O-N 2.55Å
577L82.1Confident78.2Confident106 Ų10698 Ų9856%0.55554%0.543SS*.Hα-helixtrans-62.1-38.3171.9-77.2171.8000112.5L573 I574 V580 F581L573-L577 HydrophobicContact CD2-CD1 3.75Å; L573-L577 HydrophobicContact CD2-CG 4.44Å; L573-L577 WeakPolarHBondContact O-CB 3.13Å; L573-L577 VanDerWaalsContact O-CG 3.27Å; L573-L577 WeakPolarHBondContact O-CG 3.38Å; L573-L577 PolarHBondContact O-N 2.58Å; L573-L577 VanDerWaalsContact O-N 3.15Å; I574-L577 PolarHBondContact O-N 2.67Å; L577-V580 PolarHBondContact O-N 3.04Å; L577-F581 WeakPolarHBondContact O-CB 3.17Å; L577-F581 PolarHBondContact O-N 2.96Å
578L86.7Confident80Confident100 Ų10094.5 Ų94.552%0.52453%0.527SS..Hα-helixtrans-63.3-44.6176.5-162.385000111.4I574 L575 S576 F581 I582I574-L578 WeakPolarHBondContact O-CB 3.41Å; I574-L578 PolarHBondContact O-N 3.06Å; L575-L578 PolarHBondContact O-N 3.33Å; S576-L578 VanDerWaalsContact C-N 3.33Å; S576-L578 PolarHBondContact O-N 3.01Å; L578-F581 PolarHBondContact O-N 3.25Å; L578-I582 HydrophobicContact CD2-CD1 4.28Å; L578-I582 HydrophobicContact CG-CD1 4.11Å; L578-I582 WeakPolarHBondContact O-CD1 3.49Å; L578-I582 VanDerWaalsContact O-CG1 3.26Å; L578-I582 WeakPolarHBondContact O-CG1 3.17Å; L578-I582 PolarHBondContact O-N 2.75Å
579L84.4Confident81.1Confident114 Ų11492.2 Ų92.260%0.59752%0.519SS*.Hα-helixtrans-62.9-45.8176.1-79164.6000111.9L575 S576 F581 I582 M583L575-L579 PolarHBondContact O-N 3.35Å; L575-L579 VanDerWaalsContact O-N 3.08Å; S576-L579 PolarHBondContact O-N 3.01Å; L579-F581 VanDerWaalsContact C-N 3.33Å; L579-F581 PolarHBondContact O-N 3.15Å; L579-I582 PolarHBondContact O-N 3.47Å; L579-M583 WeakPolarHBondContact O-CB 3.28Å; L579-M583 WeakPolarHBondContact O-CG 3.42Å; L579-M583 PolarHBondContact O-N 3.03Å
580V88.3Confident82.2Confident99 Ų9990.3 Ų90.360%0.651%0.513SS*.Hα-helixtrans-61.2-41.8176.31710000111.2S576 L577 M583 S584S576-V580 WeakPolarHBondContact O-CG2 2.91Å; S576-V580 PolarHBondContact O-N 2.55Å; L577-V580 PolarHBondContact O-N 3.04Å; V580-M583 PolarHBondContact O-N 3.46Å; V580-S584 WeakPolarHBondContact O-CB 3.46Å; V580-S584 PolarHBondContact O-N 3.39Å
581F89.7Confident83.3Confident136 Ų13689.2 Ų89.260%0.59651%0.507SS*.Hα-helixtrans-60.6-51.3175.1-176.9-100.8000111.8L577 L578 L579 M583 S584 V585L577-F581 WeakPolarHBondContact O-CB 3.17Å; L577-F581 PolarHBondContact O-N 2.96Å; L578-F581 PolarHBondContact O-N 3.25Å; L579-F581 VanDerWaalsContact C-N 3.33Å; L579-F581 PolarHBondContact O-N 3.15Å; F581-M583 VanDerWaalsContact C-N 3.35Å; F581-M583 PolarHBondContact O-N 2.96Å; F581-S584 PolarHBondContact O-N 3.01Å; F581-S584 VanDerWaalsContact O-N 3.17Å; F581-S584 PolarHBondContact O-OG 3.07Å; F581-V585 HydrophobicContact CD1-CG2 4.37Å; F581-V585 HydrophobicContact CE1-CG2 4.01Å; F581-V585 HydrophobicContact CZ-CG2 4.09Å; F581-V585 WeakPolarHBondContact O-CG2 3.47Å; F581-V585 PolarHBondContact O-N 2.97Å
582I89Confident84.1Confident71 Ų7191.9 Ų91.936%0.36451%0.51SS..Hα-helixtrans-56.8-47.2178-70164.4000111.1L578 L579 S584 V585 F586L578-I582 HydrophobicContact CD2-CD1 4.28Å; L578-I582 HydrophobicContact CG-CD1 4.11Å; L578-I582 WeakPolarHBondContact O-CD1 3.49Å; L578-I582 VanDerWaalsContact O-CG1 3.26Å; L578-I582 WeakPolarHBondContact O-CG1 3.17Å; L578-I582 PolarHBondContact O-N 2.75Å; L579-I582 PolarHBondContact O-N 3.47Å; I582-S584 PolarHBondContact O-N 3.11Å; I582-V585 PolarHBondContact O-N 3.08Å; I582-F586 HydrophobicContact CG2-CD2 3.84Å; I582-F586 HydrophobicContact CG2-CE2 3.62Å; I582-F586 VanDerWaalsContact O-CD2 3.29Å; I582-F586 WeakPolarHBondContact O-CD2 3.48Å; I582-F586 PolarHBondContact O-N 3.39Å; I582-F586 VanDerWaalsContact O-N 3.11Å
583M86.1Confident84.7Confident122 Ų12292.6 Ų92.660%0.60151%0.514SS*.Hα-helixtrans-62.7-41.1178-69.6-60.7-75.600112L579 V580 F581 V585 F586 V587L579-M583 WeakPolarHBondContact O-CB 3.28Å; L579-M583 WeakPolarHBondContact O-CG 3.42Å; L579-M583 PolarHBondContact O-N 3.03Å; V580-M583 PolarHBondContact O-N 3.46Å; F581-M583 VanDerWaalsContact C-N 3.35Å; F581-M583 PolarHBondContact O-N 2.96Å; M583-V585 VanDerWaalsContact C-N 3.31Å; M583-V585 PolarHBondContact O-N 3.29Å; M583-F586 PolarHBondContact O-N 3.08Å; M583-V587 WeakPolarHBondContact O-CG2 3.1Å; M583-V587 PolarHBondContact O-N 2.95Å
584S88.9Confident85.2Confident61 Ų6192.1 Ų92.143%0.42751%0.514SS..Hα-helixtrans-62.6-35.8175.976.80000113.2V580 F581 I582 V587 A588V580-S584 WeakPolarHBondContact O-CB 3.46Å; V580-S584 PolarHBondContact O-N 3.39Å; F581-S584 PolarHBondContact O-N 3.01Å; F581-S584 VanDerWaalsContact O-N 3.17Å; F581-S584 PolarHBondContact O-OG 3.07Å; I582-S584 PolarHBondContact O-N 3.11Å; S584-V587 PolarHBondContact O-N 3.47Å; S584-A588 VanDerWaalsContact O-CB 3.3Å; S584-A588 WeakPolarHBondContact O-CB 3.48Å; S584-A588 PolarHBondContact O-N 3.28Å
585V92.6Very high85.3Confident74 Ų7490.7 Ų90.745%0.44851%0.51SS..Hα-helixtrans-67-43176.1170.30000110.7F581 I582 M583 A588 A589F581-V585 HydrophobicContact CD1-CG2 4.37Å; F581-V585 HydrophobicContact CE1-CG2 4.01Å; F581-V585 HydrophobicContact CZ-CG2 4.09Å; F581-V585 WeakPolarHBondContact O-CG2 3.47Å; F581-V585 PolarHBondContact O-N 2.97Å; I582-V585 PolarHBondContact O-N 3.08Å; M583-V585 VanDerWaalsContact C-N 3.31Å; M583-V585 PolarHBondContact O-N 3.29Å; V585-A588 PolarHBondContact O-N 2.97Å; V585-A589 WeakPolarHBondContact O-CB 3.32Å; V585-A589 PolarHBondContact O-N 3.35Å
586F88.5Confident85.6Confident145 Ų14590.8 Ų90.864%0.63651%0.509SS*.Hα-helixtrans-65.4-41.1175.5-77.7-63.5000112.8I582 M583 A589 G590I582-F586 HydrophobicContact CG2-CD2 3.84Å; I582-F586 HydrophobicContact CG2-CE2 3.62Å; I582-F586 VanDerWaalsContact O-CD2 3.29Å; I582-F586 WeakPolarHBondContact O-CD2 3.48Å; I582-F586 PolarHBondContact O-N 3.39Å; I582-F586 VanDerWaalsContact O-N 3.11Å; M583-F586 PolarHBondContact O-N 3.08Å; F586-A589 PolarHBondContact O-N 3.37Å; F586-G590 PolarHBondContact O-N 3.4Å
587V88.1Confident85.4Confident89 Ų8996.1 Ų96.154%0.53953%0.525SS..Hα-helixtrans-63.4-42.8174.3171.80000111.2M583 S584 A589 G590 L591M583-V587 WeakPolarHBondContact O-CG2 3.1Å; M583-V587 PolarHBondContact O-N 2.95Å; S584-V587 PolarHBondContact O-N 3.47Å; V587-A589 PolarHBondContact O-N 3.44Å; V587-G590 PolarHBondContact O-N 2.94Å; V587-L591 HydrophobicContact CG1-CD1 4.04Å; V587-L591 WeakPolarHBondContact O-CB 3.18Å; V587-L591 WeakPolarHBondContact O-CG 3.47Å; V587-L591 PolarHBondContact O-N 3.33Å
588A87.3Confident84.7Confident57 Ų57100.3 Ų100.347%0.47153%0.534SS..Hα-helixtrans-63.1-40.7175.700000112.3S584 V585 L591 F592S584-A588 VanDerWaalsContact O-CB 3.3Å; S584-A588 WeakPolarHBondContact O-CB 3.48Å; S584-A588 PolarHBondContact O-N 3.28Å; V585-A588 PolarHBondContact O-N 2.97Å; A588-L591 PolarHBondContact O-N 2.94Å; A588-F592 WeakPolarHBondContact O-CB 3.08Å; A588-F592 PolarHBondContact O-N 2.99Å
589A87.4Confident83.6Confident51 Ų51104.2 Ų104.242%0.42154%0.541SS..Hα-helixtrans-64.5-4417500000112.1V585 F586 V587 F592 V593V585-A589 WeakPolarHBondContact O-CB 3.32Å; V585-A589 PolarHBondContact O-N 3.35Å; F586-A589 PolarHBondContact O-N 3.37Å; V587-A589 PolarHBondContact O-N 3.44Å; A589-F592 WeakPolarHBondContact O-CB 3.44Å; A589-F592 PolarHBondContact O-N 3.15Å; A589-V593 WeakPolarHBondContact O-CG2 3.33Å; A589-V593 PolarHBondContact O-N 3.14Å
590G85.5Confident82.2Confident37 Ų37107 Ų10738%0.38155%0.549SS..Hα-helixtrans-60.1-46.5174.600000112.4F586 V587 F592 V593 V594F586-G590 PolarHBondContact O-N 3.4Å; V587-G590 PolarHBondContact O-N 2.94Å; G590-F592 VanDerWaalsContact C-N 3.33Å; G590-F592 PolarHBondContact O-N 3.11Å; G590-V593 PolarHBondContact O-N 3.34Å; G590-V594 WeakPolarHBondContact O-CG2 3.49Å; G590-V594 PolarHBondContact O-N 2.7Å
591L84.4Confident80.3Confident107 Ų107109.8 Ų109.856%0.5655%0.553SS**Hα-helixtrans-61.5-39.5174.1-73.2170.7000112.1V587 A588 V594 V595V587-L591 HydrophobicContact CG1-CD1 4.04Å; V587-L591 WeakPolarHBondContact O-CB 3.18Å; V587-L591 WeakPolarHBondContact O-CG 3.47Å; V587-L591 PolarHBondContact O-N 3.33Å; A588-L591 PolarHBondContact O-N 2.94Å; L591-V594 PolarHBondContact O-N 3.44Å; L591-V595 WeakPolarHBondContact O-CB 3.5Å; L591-V595 VanDerWaalsContact O-CG2 3.31Å; L591-V595 WeakPolarHBondContact O-CG2 3.41Å; L591-V595 PolarHBondContact O-N 3.47Å
592F86.2Confident78.2Confident129 Ų129106.2 Ų106.257%0.56655%0.545SS*.Hα-helixtrans-63.2-43.2175.5-173.6-98.7000112A588 A589 G590 V594 V595 M596A588-F592 WeakPolarHBondContact O-CB 3.08Å; A588-F592 PolarHBondContact O-N 2.99Å; A589-F592 WeakPolarHBondContact O-CB 3.44Å; A589-F592 PolarHBondContact O-N 3.15Å; G590-F592 VanDerWaalsContact C-N 3.33Å; G590-F592 PolarHBondContact O-N 3.11Å; F592-V594 PolarHBondContact O-N 2.91Å; F592-V595 PolarHBondContact O-N 3.22Å; F592-M596 HydrophobicContact CD1-CG 4.18Å; F592-M596 HydrophobicContact CD1-SD 4.14Å; F592-M596 HydrophobicContact CE1-CG 3.87Å; F592-M596 HydrophobicContact CE1-SD 3.43Å; F592-M596 WeakPolarHBondContact CE1-SD 3.27Å; F592-M596 HydrophobicContact CZ-CG 4.18Å; F592-M596 HydrophobicContact CZ-SD 3.95Å; F592-M596 WeakPolarHBondContact O-CG 3.41Å; F592-M596 PolarHBondContact O-N 3.45Å
593V85.6Confident76.1Confident95 Ų95109.3 Ų109.358%0.57656%0.557SS**Hα-helixtrans-62-42.3173.9171.70000111.4A589 G590 M596 K597A589-V593 WeakPolarHBondContact O-CG2 3.33Å; A589-V593 PolarHBondContact O-N 3.14Å; G590-V593 PolarHBondContact O-N 3.34Å; V593-M596 PolarHBondContact O-N 3.02Å; V593-K597 WeakPolarHBondContact O-CB 3.5Å; V593-K597 PolarHBondContact O-N 3.17Å
594V80.8Confident74.2Confident78 Ų78107.3 Ų107.347%0.47356%0.555SS.*Hα-helixtrans-63.3-41.2174.81710000111.5G590 L591 F592 K597 R598G590-V594 WeakPolarHBondContact O-CG2 3.49Å; G590-V594 PolarHBondContact O-N 2.7Å; L591-V594 PolarHBondContact O-N 3.44Å; F592-V594 PolarHBondContact O-N 2.91Å; V594-K597 PolarHBondContact O-N 2.96Å; V594-R598 WeakPolarHBondContact O-CB 3.31Å; V594-R598 PolarHBondContact O-N 3.28Å
595V82.9Confident72Confident67 Ų67109.3 Ų109.341%0.40656%0.561SS.*Hα-helixtrans-66-40.1175.1168.60000111.5L591 F592 R598 R599L591-V595 WeakPolarHBondContact O-CB 3.5Å; L591-V595 VanDerWaalsContact O-CG2 3.31Å; L591-V595 WeakPolarHBondContact O-CG2 3.41Å; L591-V595 PolarHBondContact O-N 3.47Å; F592-V595 PolarHBondContact O-N 3.22Å; V595-R598 PolarHBondContact O-N 2.9Å; V595-R599 WeakPolarHBondContact O-CB 3.26Å; V595-R599 WeakPolarHBondContact O-CG 3.47Å; V595-R599 PolarHBondContact O-N 2.94Å
596M78.3Confident69.5Low111 Ų111115.2 Ų115.255%0.54758%0.575SS.*Hα-helixtrans-65.4-41173.2-72.2-156.579.100112F592 V593 R599 K600F592-M596 HydrophobicContact CD1-CG 4.18Å; F592-M596 HydrophobicContact CD1-SD 4.14Å; F592-M596 HydrophobicContact CE1-CG 3.87Å; F592-M596 HydrophobicContact CE1-SD 3.43Å; F592-M596 WeakPolarHBondContact CE1-SD 3.27Å; F592-M596 HydrophobicContact CZ-CG 4.18Å; F592-M596 HydrophobicContact CZ-SD 3.95Å; F592-M596 WeakPolarHBondContact O-CG 3.41Å; F592-M596 PolarHBondContact O-N 3.45Å; V593-M596 PolarHBondContact O-N 3.02Å; M596-R599 PolarHBondContact O-N 3.45Å; M596-K600 WeakPolarHBondContact O-CB 3.37Å; M596-K600 PolarHBondContact O-N 3.48Å
597K71.6Confident67.2Low169 Ų169113.8 Ų113.874%0.73558%0.579SS**Hα-helixtrans-63.5-41175.6-164171.3-177.1177.20111.4V593 V594 K601V593-K597 WeakPolarHBondContact O-CB 3.5Å; V593-K597 PolarHBondContact O-N 3.17Å; V594-K597 PolarHBondContact O-N 2.96Å; K597-K601 PolarHBondContact O-N 3.36Å; K597-K601 VanDerWaalsContact O-N 3.12Å
598R66.8Low64.8Low195 Ų195114 Ų11474%0.73658%0.584SS**Hα-helixtrans-65.8-42171.9-79.4-175.3168.8-170.8-3.3112.9V594 V595 K601 S602V594-R598 WeakPolarHBondContact O-CB 3.31Å; V594-R598 PolarHBondContact O-N 3.28Å; V595-R598 PolarHBondContact O-N 2.9Å; R598-K601 PolarHBondContact O-N 2.94Å; R598-S602 PolarHBondContact O-N 3.38Å
599R64Low62.4Low182 Ų182116.1 Ų116.169%0.68759%0.591SS**Hα-helixtrans-63.8-41.2174.8-78.7-178.4175.2-172.8-0.9112V595 M596 K601 S602 Q603V595-R599 WeakPolarHBondContact O-CB 3.26Å; V595-R599 WeakPolarHBondContact O-CG 3.47Å; V595-R599 PolarHBondContact O-N 2.94Å; M596-R599 PolarHBondContact O-N 3.45Å; R599-K601 VanDerWaalsContact C-N 3.32Å; R599-K601 PolarHBondContact O-N 3.22Å; R599-S602 CarbonylContact O-C 3.12Å; R599-S602 PolarHBondContact O-N 3.4Å; R599-Q603 WeakPolarHBondContact O-CB 3.39Å; R599-Q603 PolarHBondContact O-N 2.9Å
600K55Low59.8Low172 Ų172120.9 Ų120.975%0.74861%0.609SS**Hα-helixtrans-64.7-34.9176.7-162171.7-175.5179.20112.1M596 S604M596-K600 WeakPolarHBondContact O-CB 3.37Å; M596-K600 PolarHBondContact O-N 3.48Å; K600-S604 PolarHBondContact O-N 2.91Å
601K48.5Very low57.1Low158 Ų158126.8 Ų126.869%0.68763%0.632SS**Hα-helixtrans-64.4-53.4169.2-168.5170-177.9175.40111.3K597 R598 R599 Q603 S604 D605K597-K601 PolarHBondContact O-N 3.36Å; K597-K601 VanDerWaalsContact O-N 3.12Å; R598-K601 PolarHBondContact O-N 2.94Å; R599-K601 VanDerWaalsContact C-N 3.32Å; R599-K601 PolarHBondContact O-N 3.22Å; K601-Q603 PolarHBondContact O-N 3.34Å; K601-Q603 VanDerWaalsContact O-N 3.16Å; K601-S604 WeakPolarHBondContact O-CB 3.29Å; K601-S604 PolarHBondContact O-N 3.5Å; K601-D605 PolarHBondContact O-N 2.88Å
602S44.7Very low54.6Low61 Ų61126.4 Ų126.443%0.42764%0.639SS.*Hα-helixtrans-61.3-24.5178.7175.40000114.6R598 R599 D605R598-S602 PolarHBondContact O-N 3.38Å; R599-S602 CarbonylContact O-C 3.12Å; R599-S602 PolarHBondContact O-N 3.4Å; S602-D605 PolarHBondContact O-N 3.32Å
603Q45.8Very low52Low136 Ų136127.1 Ų127.164%0.63665%0.648SS**Hα-helixtrans-78.1-28.9175.6-164.3166.19.400112.1R599 K601 D605 R606 T607R599-Q603 WeakPolarHBondContact O-CB 3.39Å; R599-Q603 PolarHBondContact O-N 2.9Å; K601-Q603 PolarHBondContact O-N 3.34Å; K601-Q603 VanDerWaalsContact O-N 3.16Å; Q603-D605 PolarHBondContact O-N 3.31Å; Q603-R606 PolarHBondContact O-N 3.47Å; Q603-T607 PolarHBondContact O-OG1 2.93Å
604S45.9Very low49.4Very low79 Ų79128.9 Ų128.955%0.55266%0.659SS**Hα-helixtrans-62.7-31.9167.9-163.70000112K600 K601 R606K600-S604 PolarHBondContact O-N 2.91Å; K601-S604 WeakPolarHBondContact O-CB 3.29Å; K601-S604 PolarHBondContact O-N 3.5Å; S604-R606 VanDerWaalsContact C-N 3.29Å; S604-R606 PolarHBondContact O-N 2.85Å
605D43.3Very low47Very low103 Ų103129.6 Ų129.655%0.55167%0.668SS**THydrogen-bonded Turntrans-80.9-3.7179.1-54.7-41.8000113.5K601 S602 Q603K601-D605 PolarHBondContact O-N 2.88Å; S602-D605 PolarHBondContact O-N 3.32Å; Q603-D605 PolarHBondContact O-N 3.31Å
606R39.5Very low44.5Very low199 Ų199131.4 Ų131.475%0.75168%0.683SS**THydrogen-bonded Turntrans-118.41.4-178.6-66.5-173.879.9174.86114.8Q603 S604Q603-R606 PolarHBondContact O-N 3.47Å; S604-R606 VanDerWaalsContact C-N 3.29Å; S604-R606 PolarHBondContact O-N 2.85Å
607T39Very low42.2Very low115 Ų115134.1 Ų134.171%0.70669%0.692SS**SBendtrans-102.92.5174.846.10000114Q603Q603-T607 PolarHBondContact O-OG1 2.93Å
608S39.1Very low40.1Very low92 Ų92131.2 Ų131.264%0.64369%0.685SS**SBendtrans-99.7-13.6177.851.50000114.1N610S608-N610 PolarHBondContact O-N 2.96Å
609T36.6Very low38.3Very low102 Ų102128.5 Ų128.563%0.62668%0.684SS**SBendtrans-98.771.3-175.758.30000112.5
610N32Very low36.5Very low151 Ų151126.1 Ų126.181%0.80768%0.681SS**SBendtrans168.891.3141.9-88.2-4.3000110.8S608S608-N610 PolarHBondContact O-N 2.96Å
611N29.1Very low35.2Very low161 Ų161127.8 Ų127.886%0.86168%0.684SS**  175.294.1128.5-88.9-3.4000109
612S32.9Very low34.1Very low99 Ų99126.1 Ų126.169%0.69269%0.692SS**  trans-74.3159.7144.271.50000107.6
613D30.3Very low33.3Very low144 Ų144130.4 Ų130.477%0.7771%0.709SS**  cis-130.6157.518.6-56-62.9000113
614V31.8Very low32.6Very low133 Ų133134 Ų13481%0.80672%0.719SS**SBend-173.3132.8117.5148.20000108.4
615S30.9Very low31.5Very low93 Ų93135.6 Ų135.665%0.6573%0.73SS**  trans2.5115.7176.156.10000119.1
616S28.8Very low30.7Very low104 Ų104137.4 Ų137.473%0.72774%0.74SS**  68.9139.157.183.60000115
617F31.4Very low30.2Very low168 Ų168138.6 Ų138.674%0.73774%0.744SS**  cis-154.3129.4-11.9-130-121.7000103.9L619F617-L619 HydrophobicContact CD1-CD1 3.8Å; F617-L619 HydrophobicContact CE1-CD1 3.93Å
618N27.1Very low29.6Very low109 Ų109138.7 Ų138.758%0.58375%0.749SS**  58115.475.5-174.330.5000114.2
619L28.8Very low29.1Very low137 Ų137137.6 Ų137.672%0.71775%0.753SS**  -174.3122.8118.7-115.889.6000114.5F617F617-L619 HydrophobicContact CD1-CD1 3.8Å; F617-L619 HydrophobicContact CE1-CD1 3.93Å
620Q26.4Very low29Very low132 Ų132138.6 Ų138.662%0.61776%0.761SS**  51.9122.3119.5-129.872.211.900123.8
621Y28.6Very low28.7Very low207 Ų207140.6 Ų140.681%0.81276%0.762SS**  trans15.1145.2135.9-65-109.2000122
622S24.1Very low28.6Very low123 Ų123138.9 Ų138.986%0.8676%0.757SS**  -175.1-179.6109.844.30000113.4
623L28.4Very low28.3Very low151 Ų151143.8 Ų143.879%0.79177%0.766SS**  trans-106.6156.7-164.5-73.9138.6000113.5
624Y29.7Very low28.1Very low212 Ų212141.1 Ų141.183%0.83176%0.764SS**  trans36.7113.3151.8-84-90.4000120.1
625S23.9Very low28.2Very low112 Ų112140.7 Ų140.778%0.78376%0.764SS**  154.7146.79961.10000116.9
626N26.4Very low28.1Very low142 Ų142141.4 Ų141.476%0.75978%0.776SS**  trans29.2122.3152.4-96.4-35.3000124.9
627R28.1Very low28Very low224 Ų224139.6 Ų139.685%0.84577%0.774SS**  80.9141.3129.2-85.8179.7174.4-162.1-1.6123.5
628S26.9Very low27.9Very low117 Ų117140.6 Ų140.682%0.81878%0.78SS**  trans65.8119.1155.539.10000120.2
629G30.1Very low28Very low69 Ų69141.4 Ų141.471%0.71179%0.789SS**  trans-91.1-173.2162.100000112.9
630P34.2Very low28Very low122 Ų122145.9 Ų145.979%0.79280%0.798SS**  -151.4149.297.538.5-21.6000118.5
631K26Very low27.9Very low193 Ų193148.3 Ų148.384%0.83981%0.809SS**  trans57.7123.3138.9-71.7-176.3176.2179.30122.9
632V26Very low27.7Very low126 Ų126148.5 Ų148.576%0.76481%0.81SS**  trans79.7134.9134.6172.70000115.7
633K26.3Very low28.4Very low201 Ų201148.9 Ų148.987%0.87480%0.801SS**  cis-146.715425-145.9152.7-168.9178.10111.7
634A27.1Very low28.4Very low89 Ų89147 Ų14774%0.73680%0.798SS**  trans-94171.317200000112.2
635P34Very low28.1Very low124 Ų124144.6 Ų144.681%0.80579%0.794SS**  -146.7165.694.340.1-25.3000117.4
636A28Very low29.3Very low108 Ų108144.5 Ų144.589%0.89379%0.79SS**  trans63.195.515500000120
637G25.9Very low29.2Very low66 Ų66145.5 Ų145.568%0.6879%0.792SS**  trans163.686.8161.100000116.6
638H29.6Very low29.3Very low189 Ų189137.6 Ų137.688%0.87578%0.781SS**  trans76.3154.9166.5-53.2-84.3000121
639V29Very low29.7Very low125 Ų125138.8 Ų138.876%0.75877%0.773SS**  trans86.5117.7160.9-168.40000119
640Y30.2Very low29.6Very low231 Ų231141.8 Ų141.891%0.90677%0.77SS**  trans47.7116.4166.2-80.7-65.1000120.8
641E23.9Very low29.2Very low184 Ų184141.4 Ų141.486%0.8677%0.769SS**  trans-139.3122.6158.7-154.7170-15900112.4
642Y24.3Very low29.3Very low211 Ų211140.2 Ų140.283%0.82776%0.764SS**  trans58.4142.3155.6-109-102.4000125.5
643I38Very low29.2Very low130 Ų130141.6 Ų141.667%0.66777%0.767SS**  trans-119131168-60.8165.4000108.2
644P28.3Very low29.7Very low112 Ų112137.1 Ų137.173%0.72776%0.759SS**  trans-125.1115.4134.43.318.3000110.4
645H24.3Very low29.7Very low162 Ų162140.4 Ų140.475%0.7576%0.762SS**  92.8148.873.4-87.398.4000112.4
646P48.5Very low29.3Very low109 Ų109143.9 Ų143.971%0.70876%0.761SS**  trans-104.3-147.7-15743.1-38000112.9
647M25.6Very low29.2Very low163 Ų163148.7 Ų148.780%0.80376%0.756SS**  trans79.9143.2-177.7-43.8-172.683.500113.5
648G29.9Very low29.1Very low59 Ų59150.4 Ų150.461%0.60876%0.758SS**  cis-169.2172.4-7.200000109
649H35.3Very low29Very low142 Ų142151 Ų15166%0.65775%0.752SS**  140.1156.183.1-79.5-66.6000105.2
650M27.1Very low28.9Very low132 Ų132152.5 Ų152.565%0.6575%0.751SS**  cis-160.8137.2-8.3-121.4160.661.600109.7
651C25.7Very low28.7Very low114 Ų114144.6 Ų144.677%0.7774%0.739SS**  -179.7143.7124.7-90.50000108.3
652K28.3Very low28.7Very low168 Ų168143.1 Ų143.173%0.7374%0.738SS**  cis-177.9130.9-21.3-119176.8-174.8178.10103.1
653N24.6Very low28.8Very low154 Ų154138.1 Ų138.182%0.82473%0.729SS**  trans-37.2168.7159.2-88.9-9.4000115.2
654P35.2Very low28.2Very low108 Ų108137.1 Ų137.170%0.70173%0.729SS**  cis-129.6-159.2-6.725.12000110.4
655I28.4Very low28.2Very low157 Ų157139.7 Ų139.781%0.80573%0.731SS**  cis-142.715014.7-48.6163.5000110.8
656Y25.2Very low28.3Very low197 Ų197137.8 Ų137.877%0.77373%0.727SS**  trans-48.3177.5157.2-89.6-148.6000113.5
657R25.1Very low27.2Very low209 Ų209143 Ų14379%0.78973%0.734SS**  cis-15717213.7-149.4169.4-164.3158.32.8110.6
658S24.8Very low27.2Very low103 Ų103144.8 Ų144.872%0.7273%0.731SS**  trans-74.1178150.1580000111.8
659R26.4Very low27Very low202 Ų202148.3 Ų148.376%0.76274%0.736SS**  trans104.7102.2156-161.4164.5-165.6-169.50.4117.2
660E28.6Very low26.5Very low155 Ų155149.7 Ų149.772%0.72475%0.748SS**  46.1111.6113.9-155.6179.3-98.500116.8
661G25.4Very low26.4Very low65 Ų65151.5 Ų151.567%0.6775%0.754SS**  trans-134.88917900000113.2
662N23.4Very low26.5Very low154 Ų154154.3 Ų154.382%0.82476%0.756SS**SBend-13288.1113.6-95.5-3.6000105.4
663T26.1Very low26.5Very low105 Ų105153.8 Ų153.864%0.64476%0.76SS**  85.8109.486.352.20000111.4
664V26.9Very low26.6Very low109 Ų109155.4 Ų155.466%0.66176%0.76SS**  cis96.3109.149.81620000110.5
665E26.4Very low26.4Very low167 Ų167155.5 Ų155.578%0.7876%0.758SS**  trans63.6152.4142.4-70.9162.7-156.900118.9
666D26.5Very low26.4Very low122 Ų122153.6 Ų153.665%0.65275%0.754SS**  cis-151.9157.5-18.1-141.6-14.2000108.3
667Y26.7Very low26.4Very low219 Ų219153.7 Ų153.786%0.85976%0.755SS**  -180161.1112-116.3-91.1000113.2
668R25.2Very low26.4Very low199 Ų199154.1 Ų154.175%0.75176%0.756SS**  trans-83.2158.5-178.1-74.2-174.6-179.1173.60.1115.4
669D26.3Very low26.4Very low133 Ų133153.3 Ų153.371%0.71175%0.751SS**  trans74153.8140.5-66.6-28.7000121.1
670L24Very low26.3Very low172 Ų172149.9 Ų149.990%0.90175%0.752SS**  trans82.1160.4167.1-96.369.8000120.7
671H26Very low27.5Very low170 Ų170147.2 Ų147.279%0.78775%0.748SS**  trans-71157.1-168.7-87.8-23.9000115.7
672E26.6Very low27.7Very low172 Ų172150.5 Ų150.580%0.80475%0.75SS**  trans51.893.3142.1-64.5-173.1126.100120.3
673L29.4Very low28.2Very low157 Ų157151.6 Ų151.682%0.82275%0.751SS**  trans-133.4147.4133.9-74.198.4000107.6
674K27Very low28.4Very low189 Ų189153.2 Ų153.282%0.82275%0.751SS**  cis67.269.54.1-144.5177.1-174.1179.70118.6
675V29.2Very low28.7Very low110 Ų110156.9 Ų156.967%0.66775%0.753SS**  trans91.8144.3137.5179.90000119
676T29.2Very low28.9Very low116 Ų116155.9 Ų155.971%0.71275%0.753SS**  trans80.395.7161.832.20000123.4
677Y24.6Very low28.9Very low200 Ų200153.4 Ų153.478%0.78476%0.757SS**  62.5117.4110.9-89-80000124.6
678R25.4Very low29.2Very low217 Ų217148.2 Ų148.282%0.81975%0.752SS**  94.9131.6121.7-126.4-179.1-167.6172.51.8124.1
679S25.3Very low29.4Very low87 Ų87144.6 Ų144.661%0.60875%0.752SS**  trans71.7107.8138.741.60000124.9
680T23.6Very low29.6Very low129 Ų129145.6 Ų145.679%0.79176%0.757SS**  42.4160.5110.6590000123.1
681P55Low29.7Very low100 Ų100148.8 Ų148.865%0.64976%0.757SS**  cis-145.1-156.6-2031.1-3.4000115.9
682D29.8Very low30Very low133 Ų133146 Ų14671%0.71176%0.756SS**  trans102.9135.6144.7-57.9-26.2000126.4
683E32.8Very low31.1Very low178 Ų178143.4 Ų143.483%0.83275%0.754SS**  trans50.5165140.8-71.2-175.6175.300124.8
684E31.2Very low31.2Very low138 Ų138139.6 Ų139.665%0.64575%0.746SS**  cis-157.7161.3-40.2-134.1-147.7157.600112.3
685R32.5Very low31.3Very low186 Ų186141.4 Ų141.470%0.70275%0.749SS**  trans34.3144150.3-90.5-174.5157.7106-3.1130.5
686D31.1Very low31.3Very low146 Ų146141.1 Ų141.178%0.78175%0.752SS**  trans63148.7137.2-62.6-21.7000125.5
687G27Very low31.1Very low71 Ų71142 Ų14273%0.73276%0.757SS**  trans161.737.116500000127.9
688S31.1Very low31.1Very low109 Ų109136.7 Ų136.776%0.76275%0.749SS**  trans49.2135.3146.362.60000127.9
689T31.2Very low31.1Very low123 Ų123132.2 Ų132.276%0.75575%0.746SS**  trans89.3125.5132.448.90000128.8
690L30.4Very low31.1Very low155 Ų155135.9 Ų135.981%0.81276%0.757SS**  trans68.6120.9131.7-74.6164.7000126
691R25.3Very low31.2Very low239 Ų239137 Ų13790%0.90275%0.753SS**  177.8170.4110.5-100.4-174.7177.4-160.4-0.6116.7
692S32.2Very low30.3Very low110 Ų110137.6 Ų137.677%0.76976%0.757SS**  trans-150.5-156.7-177.6-40.10000109
693P50.5Low30Very low118 Ų118141.1 Ų141.177%0.76676%0.76SS**  cis-145.5173.76.645.8-26.3000119.5
694A30.7Very low29.6Very low77 Ų77139.1 Ų139.164%0.63676%0.755SS**  trans61.8165147.100000120.7
695Y29.3Very low29.5Very low227 Ų227139.2 Ų139.289%0.8976%0.76SS**  cis-150-179.611.7-88-68000107.9
696S28.1Very low29.3Very low105 Ų105136.3 Ų136.373%0.73477%0.766SS**  cis-167.6-166-9.640.50000106.8
697V25.6Very low29.4Very low135 Ų135134.1 Ų134.182%0.81876%0.762SS**  cis-146.1-168.920.1141.50000110.4
698S24.1Very low30.7Very low87 Ų87136 Ų13661%0.60876%0.761SS**  trans-74.5144-167.562.20000122.7
699T25.8Very low30.3Very low123 Ų123138.2 Ų138.276%0.75576%0.763SS**  trans49.9132.4130.865.30000123.8
700I25.9Very low30.2Very low164 Ų164139.5 Ų139.584%0.84176%0.76SS**  -167150.9102.1-102.1170.1000111.2
701E25.6Very low29.9Very low154 Ų154139 Ų13972%0.7276%0.758SS**  trans-105.8159.4175.6-148-159.2-10100109.4R703E701-R703 PolarHBondContact OE2-N 3.5Å
702P35.1Very low30.2Very low112 Ų112132 Ų13273%0.72775%0.751SS**  -151.915689.740.9-23.6000116.4
703R25.5Very low30Very low206 Ų206133.8 Ų133.878%0.77775%0.752SS**  trans31.1153.2131.4-79.2-178.5160.31431122.9E701E701-R703 PolarHBondContact OE2-N 3.5Å
704D24.2Very low29Very low136 Ų136135.9 Ų135.973%0.72775%0.751SS**  cis-133.615917.9-106.3-44000114.5
705N29.1Very low28.7Very low141 Ų141140.7 Ų140.775%0.75476%0.758SS**  trans-144.8144.1171.8-138.3-3.9000106.1
706P28.4Very low28.7Very low125 Ų125138.1 Ų138.181%0.81275%0.752SS**  -150.5138.511234.9-17.5000116.3
707S32.3Very low28.7Very low100 Ų100144.7 Ų144.770%0.69976%0.761SS**  trans-97.9-175.6139.165.60000108.1
708P53.5Low28.6Very low110 Ų110141.6 Ų141.671%0.71476%0.756SS**  cis-132.6-172.3-4.642.8-26.5000113.3
709I24.4Very low28.8Very low156 Ų156145 Ų14580%0.877%0.766SS**  trans-171.8136.7144.1-95.6147.9000104.5
710Q27.4Very low28.8Very low149 Ų149146.2 Ų146.270%0.69677%0.767SS**  cis124.4125.310.8-165.9-168.2-28.100108.2
711D26Very low29.1Very low145 Ų145146.7 Ų146.778%0.77577%0.766SS**  trans59161.8167.8-58-30.9000120.1
712A31.4Very low29.8Very low91 Ų91145 Ų14575%0.75277%0.767SS**  trans-124.9140.8-179.600000109.3
713D28Very low29.4Very low148 Ų148145.4 Ų145.479%0.79176%0.764SS**  trans-159.3151168.1-121.2-17000117.2
714H28.7Very low29.7Very low162 Ų162143.2 Ų143.275%0.7576%0.76SS**  trans57.190.1150.2-77.953.4000122.5
715F25.4Very low29.9Very low179 Ų179146.2 Ų146.279%0.78577%0.769SS**  16.4144.3119.3-101.3-73.7000123.5
716F28.6Very low29.9Very low172 Ų172144.5 Ų144.575%0.75477%0.769SS**  trans99.3136.5136.8-92.1-53.7000123.7
717R27.3Very low30.9Very low244 Ų244143.4 Ų143.492%0.92176%0.762SS**  trans70.5139.8168.8-64.6178.1172-178.6-2.7116.5
718G24.9Very low30.9Very low69 Ų69145.8 Ų145.871%0.71176%0.761SS**  cis148.9175.4-6.700000113.3
719I28.1Very low30Very low159 Ų159148.9 Ų148.982%0.81577%0.766SS**  trans83.2105.2169.9-56.6176.1000117.1
720L25.7Very low30.1Very low149 Ų149146.9 Ų146.978%0.7877%0.766SS**  trans45.2130.9134.4-56.4171.1000122.9
721E30.9Very low30.3Very low174 Ų174147.7 Ų147.781%0.81377%0.774SS**  13.2151.5122.2-67.4-171.715800119.9
722P41.3Very low31.2Very low117 Ų117146.2 Ų146.276%0.7677%0.772SS**  cis-158.6175.545.946.6-25.3000121.1
723D27.4Very low31.1Very low121 Ų121147.3 Ų147.365%0.64777%0.774SS**  trans43.1132.5143-98.6-7.3000126.8
724K30.4Very low31.4Very low160 Ų160148 Ų14870%0.69678%0.776SS**  trans47132132.1-65.3171.5-175.383.40122
725Q28.4Very low32Very low199 Ų199146.4 Ų146.493%0.9378%0.78SS**  -166.6159.8110.7-105.7163.748.300114.7
726S29.6Very low32.2Very low106 Ų106142.2 Ų142.274%0.74178%0.778SS**  trans-134.7170.4167.665.50000108.4
727P49.2Very low32.1Very low102 Ų102138.8 Ų138.866%0.66278%0.782SS**  -159.5-160.78938.4-14.4000116.6
728H31.3Very low32Very low150 Ų150134.1 Ų134.169%0.69478%0.775SS**  trans88.5106.2175.9-59.3-77.2000116.4
729Q34.8Very low32.1Very low175 Ų175138.6 Ų138.682%0.81878%0.782SS**  86.1139.973.5-80.1174.3-1800112.9
730S27.9Very low31.8Very low113 Ų113137 Ų13779%0.7977%0.771SS**  cis-157.7172.11250.20000113.4
731I31.3Very low31.8Very low167 Ų167138.4 Ų138.486%0.85677%0.767SS**  trans-136142.5-179.5-50.7169.1000112.2
732P45.3Very low31.5Very low114 Ų114137.3 Ų137.374%0.7476%0.76SS**  trans-147.2167.8135.237.4-21.7000114.2
733S29.5Very low30.7Very low114 Ų114142 Ų14280%0.79776%0.764SS**  cis-166.2136.3-25.354.80000112.9
734I34Very low30.9Very low161 Ų161143.3 Ų143.383%0.82677%0.771SS**  trans-46.5146.3168.1-81.1162.8000115.6
735P41.3Very low31.2Very low129 Ų129139.6 Ų139.684%0.83876%0.763SS**  -143.1159.598.137.4-19.8000118.3
736A28.7Very low31Very low91 Ų91136.6 Ų136.675%0.75275%0.753SS**  trans-97.7173.7-167.800000116
737A27.1Very low30.9Very low100 Ų100140.1 Ų140.183%0.82676%0.756SS**  trans-143.5148.7156.100000110.4
738N25.9Very low29.8Very low146 Ų146142 Ų14278%0.78176%0.76SS**  trans-105.1156.8-176-56.9-42.3000111.8
739L25.8Very low29.5Very low164 Ų164140.6 Ų140.686%0.85976%0.762SS**  -175.1159.9107.9-118.495.3000113.8
740E22.8Very low29Very low125 Ų125143.2 Ų143.258%0.58476%0.764SS**  trans-91.9-178.2172.9-89-170.185.300113.4K742E740-K742 WeakPolarHBondContact OE1-CE 3.45Å; E740-K742 IonicContact OE1-NZ 3.23Å; E740-K742 PolarHBondContact OE1-NZ 3.28Å
741Y25.6Very low29Very low178 Ų178147.7 Ų147.770%0.69876%0.764SS**  trans119.994.3147-71.4-83.6000113.2
742K24.1Very low28.6Very low151 Ų151148.1 Ų148.166%0.65776%0.762SS**  6012578.3-70.1175.4177.9142.70113.7E740E740-K742 WeakPolarHBondContact OE1-CE 3.45Å; E740-K742 IonicContact OE1-NZ 3.23Å; E740-K742 PolarHBondContact OE1-NZ 3.28Å
743Y24.9Very low27.6Very low217 Ų217150.7 Ų150.785%0.85176%0.762SS**  -155.3142.9114.3-127.4-85.1000112.6P745Y743-P745 HydrophobicContact CD1-CG 4.4Å
744N30.2Very low27.3Very low148 Ų148152.8 Ų152.879%0.79176%0.763SS**  trans-154.9122.3166.6-179.242000110
745P36.4Very low27Very low82 Ų82153.2 Ų153.253%0.53276%0.761SS.*  trans-120.3144.2163.728.2-11.2000111.2Y743Y743-P745 HydrophobicContact CD1-CG 4.4Å
746N25Very low26.4Very low135 Ų135152.3 Ų152.372%0.72276%0.756SS**  cis-150.9147.919.7-88.2-31.7000109.4
747F28.4Very low26.2Very low181 Ų181154.4 Ų154.479%0.79475%0.75SS**  57.7142.386.4-73.1-82.5000115.5
748D25.9Very low26.2Very low140 Ų140158.7 Ų158.775%0.74975%0.745SS**  cis-150.9-176.219.4-146.5-25.1000115
749V25.2Very low26.2Very low121 Ų121159.5 Ų159.573%0.73375%0.747SS**  trans-142.4141.4-167173.90000114.6
750R24.2Very low26.1Very low231 Ų231162.9 Ų162.987%0.87275%0.748SS**  trans-166.7127.9151-102.7153.7-172.2-142.91.2110.7
751R26.6Very low26.2Very low207 Ų207165.2 Ų165.278%0.78176%0.76SS**  61.1135.483.8-61.5-174.2-179.1-162.90.8113.1
752Q23.6Very low26.1Very low175 Ų175162.7 Ų162.782%0.81876%0.763SS**  cis-147.5145.746.1-76.7169.5-75.100112
753F24.9Very low26.1Very low168 Ų168161.6 Ų161.674%0.73777%0.768SS**  52.6139.392.4-70.2-80.1000115.8
754L23.3Very low26Very low159 Ų159157.8 Ų157.883%0.83276%0.762SS**  cis-144.816725.8-87.698.8000115.3
755H26.3Very low25.7Very low169 Ų169161.2 Ų161.278%0.78277%0.766SS**  trans-95.3158.2154.8-100.9-49.5000111.4
756P30.3Very low25.1Very low110 Ų110160.5 Ų160.571%0.71477%0.773SS**  -114.5150.2112.2-9.629.5000111.3
757E24.6Very low25.1Very low135 Ų135160.8 Ų160.863%0.63178%0.779SS**  65132.652-72-95.812700113.6
758R25.1Very low24.9Very low190 Ų190156.5 Ų156.572%0.71778%0.778SS**  cis-169.1156-11.2-173.7-170.8-82.3170.95.9107.6
759I26.8Very low25.6Very low163 Ų163155.7 Ų155.784%0.83678%0.78SS**  trans-172.3154142.3-99.4151.4000110
760R24.1Very low25.5Very low235 Ų235155.3 Ų155.389%0.88778%0.783SS**  trans-139.2129.9172.6-76.4179.8172.2179.3-3.3109.6
761E25.5Very low25.6Very low175 Ų175151 Ų15182%0.81878%0.782SS**  trans-157.9120.2156.7-99.1155.4-157.800104.4
762T22.8Very low25.5Very low125 Ų125147 Ų14777%0.76778%0.78SS**  60.2127.372.462.40000113.8
763V23.4Very low25.4Very low127 Ų127149.8 Ų149.877%0.7779%0.785SS**  cis-168.1-175.1-6.590.30000110.2
764L22.9Very low25.4Very low138 Ų138147.9 Ų147.972%0.72379%0.787SS**  trans93.1102.4154.1-110.1146.4000120.6
765Y24.1Very low25.4Very low220 Ų220148.8 Ų148.886%0.86379%0.787SS**  trans36.2152.4144.2-64.2-104.8000122.2
766G23.5Very low25.7Very low66 Ų66146.4 Ų146.468%0.6879%0.787SS**  cis-174.8-177.32.600000108.8
767T25.2Very low25.5Very low141 Ų141146.9 Ų146.987%0.86578%0.783SS**  cis-152.1161.713.248.80000111.2
768A24.2Very low25.9Very low92 Ų92151.2 Ų151.276%0.7679%0.793SS**  trans-129.9-167.2165.100000108.1
769P40.5Very low26.4Very low123 Ų123147.7 Ų147.780%0.79979%0.789SS**  cis-133.3-179.3-16.341.7-26.8000113.2
770S23.3Very low26.6Very low112 Ų112145.4 Ų145.478%0.78378%0.775SS**  trans-170.5141.2141.755.50000112.7
771T26.3Very low26.9Very low140 Ų140143.4 Ų143.486%0.85977%0.769SS**  trans-95.2144.7169.645.80000111.2
772V24.1Very low27.3Very low123 Ų123141.2 Ų141.275%0.74576%0.762SS**  trans-134.9123.2168.5-179.70000109V774V772-V774 HydrophobicContact CG1-CG2 4Å
773Y22.6Very low27.7Very low235 Ų235141.9 Ų141.992%0.92276%0.756SS**  trans-81.2140.3163.5-100.1-102.5000108.9
774V25.4Very low28Very low127 Ų127141.2 Ų141.277%0.7775%0.748SS**  trans-132.3137168.9-175.60000108.2V772V772-V774 HydrophobicContact CG1-CG2 4Å
775E23.1Very low28.3Very low178 Ų178141.7 Ų141.783%0.83274%0.744SS**PPolyproline II helixtrans-77.4143.2179.8-61.8178.2118.200111.2N777E775-N777 PolarHBondContact O-N 3.44Å
776P31.8Very low28.6Very low120 Ų120134.9 Ų134.978%0.77973%0.733SS**PPolyproline II helixtrans-70.2121.7-17928.3-34000111.1
777N27.4Very low28.8Very low119 Ų119140.3 Ų140.364%0.63674%0.738SS**PPolyproline II helixtrans-78.4139.2-177.1-163.9-1.8000110.8E775 N779 E780E775-N777 PolarHBondContact O-N 3.44Å; N777-N779 PolarHBondContact O-N 2.85Å; N777-E780 PolarHBondContact O-N 3.43Å
778R32.1Very low28.9Very low226 Ų226140.4 Ų140.485%0.85373%0.732SS**THydrogen-bonded Turntrans-71.37.7-161.2-162.2167.3173.1172-2.6115.6
779N35.6Very low29.1Very low117 Ų117144.1 Ų144.163%0.62673%0.734SS**THydrogen-bonded Turntrans-99.6-29.4-176.8-66.8-8.5000113.7N777 Y781 L782N777-N779 PolarHBondContact O-N 2.85Å; N779-Y781 PolarHBondContact O-N 3.36Å; N779-Y781 VanDerWaalsContact O-N 3.14Å; N779-L782 PolarHBondContact O-N 2.89Å; N779-L782 VanDerWaalsContact O-N 3.13Å
780E30.6Very low28.6Very low115 Ų115142.8 Ų142.854%0.53773%0.727SS.*Hα-helixtrans-61.3-26.7-178.1-66-178.6125.100112.8N777 L782 E783 L784N777-E780 PolarHBondContact O-N 3.43Å; E780-L782 PolarHBondContact O-N 3.12Å; E780-E783 PolarHBondContact O-N 3.44Å; E780-E783 VanDerWaalsContact O-N 3.17Å; E780-L784 WeakPolarHBondContact O-CB 3.44Å; E780-L784 PolarHBondContact O-N 3Å
781Y31.4Very low29.1Very low193 Ų193142.3 Ų142.376%0.75771%0.713SS**Hα-helixtrans-61.8-21.9178.3-169-98.7000113.7N779N779-Y781 PolarHBondContact O-N 3.36Å; N779-Y781 VanDerWaalsContact O-N 3.14Å
782L32.2Very low29.8Very low128 Ų128136.6 Ų136.667%0.6768%0.678SS**Hα-helixtrans-84.3-38.4174.7-73.4165.5000112N779 E780 K785 A786N779-L782 PolarHBondContact O-N 2.89Å; N779-L782 VanDerWaalsContact O-N 3.13Å; E780-L782 PolarHBondContact O-N 3.12Å; L782-K785 PolarHBondContact O-N 3.16Å; L782-A786 PolarHBondContact O-N 3.34Å
783E33.2Very low30.5Very low139 Ų139131.4 Ų131.465%0.6565%0.646SS**Hα-helixtrans-68.7-38.4174.7-65.3-171.2129.600112.1E780 K785 A786 K787E780-E783 PolarHBondContact O-N 3.44Å; E780-E783 VanDerWaalsContact O-N 3.17Å; E783-K785 PolarHBondContact O-N 3.2Å; E783-A786 WeakPolarHBondContact O-CB 3.35Å; E783-A786 PolarHBondContact O-N 2.95Å; E783-K787 PolarHBondContact O-N 3.4Å
784L29.3Very low30.9Very low113 Ų113121.8 Ų121.859%0.59261%0.609SS**Hα-helixtrans-61.5-26172.4-94.9149000113E780E780-L784 WeakPolarHBondContact O-CB 3.44Å; E780-L784 PolarHBondContact O-N 3Å
785K29.1Very low31.6Very low149 Ų149115.8 Ų115.865%0.64857%0.572SS**Hα-helixtrans-78.1-28173.2-160.1-179.7179.6-169.60112.6L782 E783L782-K785 PolarHBondContact O-N 3.16Å; E783-K785 PolarHBondContact O-N 3.2Å
786A30.6Very low32.3Very low76 Ų76108.4 Ų108.463%0.62854%0.537SS*.Hα-helixtrans-74.8-32.3172.900000112.5L782 E783 L788L782-A786 PolarHBondContact O-N 3.34Å; E783-A786 WeakPolarHBondContact O-CB 3.35Å; E783-A786 PolarHBondContact O-N 2.95Å; A786-L788 PolarHBondContact O-N 2.93Å
787K28Very low32.5Very low181 Ų181103.2 Ų103.279%0.78750%0.503SS*.THydrogen-bonded Turntrans-80.318.3175.3-74.2-177.6172.2173.80114.9E783E783-K787 PolarHBondContact O-N 3.4Å
788L25.7Very low32.9Very low142 Ų14297.6 Ų97.674%0.74347%0.473SS*.THydrogen-bonded Turntrans-117.57.5-179.8-99.9167.1000113.6A786A786-L788 PolarHBondContact O-N 2.93Å
789Q29.8Very low33Very low171 Ų17187.4 Ų87.480%0.79944%0.436SS*.  trans-137.386.1174.9-63.4-169-97.300109.6
790S30Very low33Very low94 Ų9484.1 Ų84.166%0.65742%0.416SS*.  trans-156.783.217061.60000108.5
791E32.2Very low33.1Very low102 Ų10282 Ų8248%0.47741%0.406SS..  trans-83.4138171.7-75.9156.9162.700108.8Y120 Y408Y120-E791 WeakPolarHBondContact CD2-O 3.44Å; Y120-E791 HydrophobicContact CE1-CB 3.63Å; Y120-E791 WeakPolarHBondContact CE2-O 3.37Å; Y120-E791 WeakPolarHBondContact OH-CB 3.3Å; Y408-E791 HydrophobicContact CE1-CB 4.26Å; Y408-E791 HydrophobicContact CE1-CG 4.15Å; Y408-E791 VanDerWaalsContact OH-CA 3.3Å; Y408-E791 WeakPolarHBondContact OH-CA 3.4Å; Y408-E791 WeakPolarHBondContact OH-CB 3.49Å
792P41.1Very low33.3Very low20 Ų2073.6 Ų73.613%0.1338%0.375CS..  trans-136.4153157.137.9-25000113.4Y408 N432Y408-P792 VanDerWaalsContact OH-C 3.31Å; Y408-P792 PolarHBondContact OH-O 2.82Å; N432-P792 PolarHBondContact ND2-O 3.26Å; N432-P792 WeakPolarHBondContact OD1-CD 3.46Å; N432-P792 VanDerWaalsContact OD1-CG 3.26Å; N432-P792 WeakPolarHBondContact OD1-CG 3.36Å
793D39.3Very low33.3Very low15 Ų1570.6 Ų70.68%0.0836%0.361CS..  cis-173.3133-7.7167.6-13.2000103.1R454 L795R454-D793 IonicContact CZ-OD2 2.76Å; R454-D793 IonicContact NH1-OD2 3.55Å; R454-D793 PolarHBondContact NH1-OD2 3.29Å; R454-D793 IonicContact NH2-OD2 3.05Å; D793-L795 VanDerWaalsContact OD1-CB 3.27Å; D793-L795 WeakPolarHBondContact OD1-CB 3.39Å; D793-L795 WeakPolarHBondContact OD1-CD1 3.46Å; D793-L795 PolarHBondContact OD1-N 2.83Å
794Y31.7Very low33.1Very low33 Ų3371.5 Ų71.513%0.12936%0.364CS..SBendtrans-97.6-12.8-176.4-175.3-88.2000112.5E187 Q189 V797 L798E187-Y794 PolarHBondContact OE1-OH 3.39Å; Q189-Y794 VanDerWaalsContact CD-CZ 3.42Å; Q189-Y794 PolarHBondContact OE1-OH 2.76Å; Y794-V797 WeakPolarHBondContact O-CB 3.31Å; Y794-V797 PolarHBondContact O-N 2.83Å; Y794-L798 HydrophobicContact CE1-CD1 4Å
795L39.6Very low33.1Very low0 Ų074.5 Ų74.50%039%0.394CS..Hα-helixtrans-77.2-41.8-155.6-73.186.6000113.8Y115 Q117 D119 I141 N143 D793 V797 L798 E799Y115-L795 WeakPolarHBondContact OH-CB 3.48Å; Y115-L795 PolarHBondContact OH-O 3.18Å; Q117-L795 HydrophobicContact CB-CD2 3.7Å; Q117-L795 HydrophobicContact CG-CD2 3.46Å; Q117-L795 VanDerWaalsContact CG-CD2 3.46Å; D119-L795 HydrophobicContact CB-CD1 3.74Å; D119-L795 HydrophobicContact CB-CD2 3.88Å; D119-L795 HydrophobicContact CB-CG 4.46Å; D119-L795 VanDerWaalsContact CG-CD2 3.48Å; D119-L795 WeakPolarHBondContact OD1-CD2 3.46Å; D119-L795 WeakPolarHBondContact OD2-CD1 3.49Å; I141-L795 HydrophobicContact CB-CD2 3.43Å; I141-L795 VanDerWaalsContact CB-CD2 3.43Å; I141-L795 HydrophobicContact CB-CG 3.81Å; I141-L795 HydrophobicContact CD1-CB 3.63Å; I141-L795 HydrophobicContact CD1-CD2 3.8Å; I141-L795 HydrophobicContact CD1-CG 3.57Å; I141-L795 HydrophobicContact CG1-CD2 4.16Å; I141-L795 HydrophobicContact CG1-CG 4.28Å; I141-L795 HydrophobicContact CG2-CD1 4.09Å; I141-L795 HydrophobicContact CG2-CD2 3.5Å; I141-L795 HydrophobicContact CG2-CG 3.43Å; I141-L795 VanDerWaalsContact CG2-CG 3.43Å; N143-L795 WeakPolarHBondContact OD1-CD1 3.28Å; D793-L795 VanDerWaalsContact OD1-CB 3.27Å; D793-L795 WeakPolarHBondContact OD1-CB 3.39Å; D793-L795 WeakPolarHBondContact OD1-CD1 3.46Å; D793-L795 PolarHBondContact OD1-N 2.83Å; L795-V797 PolarHBondContact O-N 3.25Å; L795-V797 VanDerWaalsContact O-N 3.12Å; L795-L798 VanDerWaalsContact O-CB 3.3Å; L795-L798 WeakPolarHBondContact O-CB 3.2Å; L795-L798 PolarHBondContact O-N 3.43Å; L795-E799 PolarHBondContact O-N 3.46Å
796E38.7Very low33.3Very low23 Ų2370.8 Ų70.811%0.10738%0.382CS..Hα-helixtrans-60.2-25.2-179.3-63.3171.6152.900111.9R454 V505 N506 L798R454-E796 IonicContact CZ-OE2 2.7Å; R454-E796 IonicContact NH1-OE1 2.7Å; R454-E796 PolarHBondContact NH1-OE1 2.88Å; R454-E796 IonicContact NH1-OE2 2.64Å; R454-E796 PolarHBondContact NH1-OE2 2.93Å; V505-E796 HydrophobicContact CG1-CB 3.48Å; V505-E796 VanDerWaalsContact CG1-CB 3.48Å; V505-E796 VanDerWaalsContact CG1-O 3.25Å; V505-E796 WeakPolarHBondContact CG1-O 3.39Å; N506-E796 VanDerWaalsContact ND2-CD 3.28Å; N506-E796 PolarHBondContact ND2-OE2 3.02Å; N506-E796 VanDerWaalsContact OD1-CD 3.3Å; N506-E796 PolarHBondContact OD1-OE1 2.84Å; E796-L798 VanDerWaalsContact C-N 3.35Å
797V34.7Very low33.5Very low11 Ų1170.5 Ų70.57%0.06737%0.369CS..Hα-helixtrans-63.4-41.3172.7166.80000111.7Q475 Y794 L795Q475-V797 VanDerWaalsContact NE2-CA 3.34Å; Q475-V797 PolarHBondContact NE2-O 3.43Å; Y794-V797 WeakPolarHBondContact O-CB 3.31Å; Y794-V797 PolarHBondContact O-N 2.83Å; L795-V797 PolarHBondContact O-N 3.25Å; L795-V797 VanDerWaalsContact O-N 3.12Å
798L35.5Very low33.8Very low1 Ų164.4 Ų64.41%0.00535%0.345CS..Hα-helixtrans-75.4-32.1-176.7-130.458.9000111.7V139 I141 H162 E187 Y794 L795 E796 K800 Q801V139-L798 HydrophobicContact CG1-CB 4.05Å; V139-L798 HydrophobicContact CG1-CD2 3.89Å; V139-L798 HydrophobicContact CG1-CG 4.05Å; I141-L798 HydrophobicContact CD1-CB 3.74Å; I141-L798 HydrophobicContact CD1-CD2 3.53Å; I141-L798 HydrophobicContact CD1-CG 4.27Å; I141-L798 HydrophobicContact CG1-CD2 3.77Å; H162-L798 HydrophobicContact CB-CD1 3.98Å; H162-L798 HydrophobicContact CB-CD2 3.64Å; H162-L798 HydrophobicContact CB-CG 3.52Å; E187-L798 HydrophobicContact CG-CD1 4.32Å; E187-L798 VanDerWaalsContact OE2-CD1 3.31Å; E187-L798 WeakPolarHBondContact OE2-CD1 3.43Å; Y794-L798 HydrophobicContact CE1-CD1 4Å; L795-L798 VanDerWaalsContact O-CB 3.3Å; L795-L798 WeakPolarHBondContact O-CB 3.2Å; L795-L798 PolarHBondContact O-N 3.43Å; E796-L798 VanDerWaalsContact C-N 3.35Å; L798-K800 PolarHBondContact O-N 3.25Å; L798-K800 VanDerWaalsContact O-N 3.1Å; L798-Q801 PolarHBondContact O-N 3.39Å
799E35.6Very low34.2Very low12 Ų1259.8 Ų59.86%0.05632%0.322CS..Hα-helixtrans-57.5-25.5-177.2-163.4-176.3158.200114.6R91 H93 Y115 L795R91-E799 WeakPolarHBondContact CD-OE1 3.43Å; R91-E799 IonicContact CZ-OE1 2.94Å; R91-E799 IonicContact NE-OE1 2.82Å; R91-E799 PolarHBondContact NE-OE1 3.38Å; R91-E799 IonicContact NH1-OE1 2.7Å; R91-E799 PolarHBondContact NH1-OE1 2.93Å; R91-E799 PolarHBondContact NH2-O 2.99Å; R91-E799 IonicContact NH2-OE1 3.23Å; H93-E799 IonicContact CE1-OE1 3.72Å; H93-E799 PolarHBondContact CE1-OE1 2.98Å; H93-E799 IonicContact CE1-OE2 3.97Å; H93-E799 PolarHBondContact CE1-OE2 3.13Å; H93-E799 IonicContact NE2-OE1 3.48Å; Y115-E799 HydrophobicContact CD1-CG 4.04Å; Y115-E799 HydrophobicContact CD2-CB 3.88Å; Y115-E799 HydrophobicContact CD2-CG 3.68Å; Y115-E799 HydrophobicContact CE1-CB 4.42Å; Y115-E799 HydrophobicContact CE1-CG 3.87Å; Y115-E799 VanDerWaalsContact CE2-CA 3.41Å; Y115-E799 HydrophobicContact CE2-CB 3.37Å; Y115-E799 HydrophobicContact CE2-CG 3.54Å; Y115-E799 HydrophobicContact CG-CG 3.94Å; L795-E799 PolarHBondContact O-N 3.46Å
800K34.5Very low34.5Very low49 Ų4952.9 Ų52.921%0.21329%0.292CS..THydrogen-bonded Turntrans-97.2-11.9-174-58.3-131.8167.2174.30114.5G502 V504 V505 L798 T802G502-K800 VanDerWaalsContact O-CD 3.31Å; G502-K800 WeakPolarHBondContact O-CD 3.42Å; V504-K800 PolarHBondContact O-NZ 3.27Å; V505-K800 VanDerWaalsContact C-NZ 3.35Å; V505-K800 WeakPolarHBondContact O-CE 3.39Å; V505-K800 PolarHBondContact O-NZ 2.89Å; L798-K800 PolarHBondContact O-N 3.25Å; L798-K800 VanDerWaalsContact O-N 3.1Å; K800-T802 VanDerWaalsContact C-N 3.32Å
801Q33.2Very low34.8Very low71 Ų7150.1 Ų50.133%0.33227%0.268SS..SBendtrans-77.3-15176.2-82.5171.3-114.600113.7H162 L798H162-Q801 PolarHBondContact NE2-NE2 3.42Å; L798-Q801 PolarHBondContact O-N 3.39Å
802T35.8Very low35Very low16 Ų1646.4 Ų46.410%0.09825%0.253CS..SBendtrans-114.3-8.5-172.958.10000116T138 V139 T161 K800 F804T138-T802 WeakPolarHBondContact OG1-CB 3.41Å; T138-T802 WeakPolarHBondContact OG1-CG2 3.31Å; T138-T802 PolarHBondContact OG1-OG1 3.08Å; V139-T802 HydrophobicContact CG2-CG2 3.28Å; V139-T802 VanDerWaalsContact CG2-OG1 3.23Å; V139-T802 WeakPolarHBondContact CG2-OG1 3.24Å; T161-T802 WeakPolarHBondContact OG1-CG2 3.39Å; K800-T802 VanDerWaalsContact C-N 3.32Å; T802-F804 PolarHBondContact O-N 2.97Å; T802-F804 VanDerWaalsContact O-N 3.16Å
803T31.6Very low34.5Very low64 Ų6448.5 Ų48.539%0.39326%0.262SS..SBendtrans-73.18.2165.732.80000114.4R91R91-T803 PolarHBondContact NH2-OG1 3.35Å
804F30Very low34.2Very low159 Ų15951.3 Ų51.370%0.69728%0.277SS*.  trans-129.359.2173.9-75.1-67.9000112.2T802T802-F804 PolarHBondContact O-N 2.97Å; T802-F804 VanDerWaalsContact O-N 3.16Å
805S29Very low34.4Very low176 Ų17652.9 Ų52.9100%1.23129%0.291SS*.  trans-1390159.9-175.20000111.5

Retrieved 805 of 805 residues in 474.8 ms (Link to these results)

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