C4QIH2_SCHMA Loading...

Lupus la ribonucleoprotein, putative

AlphaFold DB , UniProt , Accession C4QIH2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 372 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M61.8Low88.7Confident231 Ų23188.6 Ų88.6100%1.13848%0.476SS*.  0141.80-64.8179-152.700107.1E3M1-E3 PolarHBondContact O-N 3.28Å
2V76.9Confident89.3Confident96 Ų9682.5 Ų82.558%0.58244%0.442SS*.  trans-68.1120.9171.8-177.60000107I4 K68V2-I4 PolarHBondContact O-N 3.34Å; V2-K68 HydrophobicContact CG1-CB 4.36Å; V2-K68 HydrophobicContact CG1-CD 3.74Å; V2-K68 HydrophobicContact CG1-CG 3.82Å
3E86.2Confident89.7Confident173 Ų17379.2 Ų79.281%0.80842%0.42SS*.  trans-68.6123.7176.2-68.1-177.3173.600109.2M1 K68M1-E3 PolarHBondContact O-N 3.28Å; E3-K68 PolarHBondContact O-NZ 2.86Å
4I91Very high90.1Very high72 Ų7273.9 Ų73.937%0.36939%0.392SS..  trans-108.9116.3177.4-59.6174.7000106.7V2 E8 I12 K68V2-I4 PolarHBondContact O-N 3.34Å; I4-E8 HydrophobicContact CG2-CB 3.76Å; I4-I12 HydrophobicContact CD1-CD1 4.2Å; I4-I12 HydrophobicContact CG2-CD1 3.97Å; I4-K68 HydrophobicContact CD1-CB 4.21Å; I4-K68 HydrophobicContact CG1-CB 4.05Å; I4-K68 HydrophobicContact CG1-CD 4.14Å
5T94.4Very high90.5Very high64 Ų6469.1 Ų69.139%0.39337%0.366SS..  trans-68.7159.6175.9650000110.9L7 E8 S9T5-L7 PolarHBondContact O-N 3.09Å; T5-E8 WeakPolarHBondContact CG2-OE2 3.33Å; T5-E8 PolarHBondContact N-OE2 3.14Å; T5-E8 PolarHBondContact O-N 3.36Å; T5-E8 VanDerWaalsContact O-N 3.13Å; T5-E8 WeakPolarHBondContact OG1-CB 3.21Å; T5-E8 WeakPolarHBondContact OG1-CG 3.47Å; T5-E8 PolarHBondContact OG1-N 2.67Å; T5-E8 PolarHBondContact OG1-OE2 2.97Å; T5-E8 VanDerWaalsContact OG1-OE2 3.09Å; T5-S9 PolarHBondContact O-N 3.44Å
6P91.6Very high90.8Very high108 Ų10865.9 Ų65.970%0.70135%0.348SS*.Hα-helixtrans-55.6-36175.8-27.435.7000113.5K10P6-K10 WeakPolarHBondContact O-CG 3.49Å; P6-K10 PolarHBondContact O-N 2.87Å; P6-K10 VanDerWaalsContact O-N 3.12Å
7L94.8Very high91.1Very high71 Ų7165.4 Ų65.437%0.37234%0.341SS..Hα-helixtrans-68.5-45.8176.7-17959.5000111.7T5 S9 K10 I11 L55 F61T5-L7 PolarHBondContact O-N 3.09Å; L7-S9 VanDerWaalsContact C-N 3.29Å; L7-S9 PolarHBondContact O-N 3.4Å; L7-K10 PolarHBondContact O-N 2.81Å; L7-I11 HydrophobicContact CD1-CD1 4.48Å; L7-I11 HydrophobicContact CG-CD1 4.21Å; L7-I11 WeakPolarHBondContact O-CG1 3.14Å; L7-I11 PolarHBondContact O-N 3.21Å; L7-L55 HydrophobicContact CD1-CB 4.21Å; L7-L55 HydrophobicContact CD1-CD2 4.22Å; L7-F61 HydrophobicContact CD2-CE1 3.84Å; L7-F61 HydrophobicContact CD2-CZ 4.14Å; L7-F61 HydrophobicContact CG-CE1 4.23Å
8E96Very high91.3Very high9 Ų962.5 Ų62.54%0.04233%0.325CS..Hα-helixtrans-60.2-40.3176-70.7171.3139.700111.3I4 T5 K10 I11 I12 F61 S65 K68I4-E8 HydrophobicContact CG2-CB 3.76Å; T5-E8 WeakPolarHBondContact CG2-OE2 3.33Å; T5-E8 PolarHBondContact N-OE2 3.14Å; T5-E8 PolarHBondContact O-N 3.36Å; T5-E8 VanDerWaalsContact O-N 3.13Å; T5-E8 WeakPolarHBondContact OG1-CB 3.21Å; T5-E8 WeakPolarHBondContact OG1-CG 3.47Å; T5-E8 PolarHBondContact OG1-N 2.67Å; T5-E8 PolarHBondContact OG1-OE2 2.97Å; T5-E8 VanDerWaalsContact OG1-OE2 3.09Å; E8-K10 PolarHBondContact O-N 2.94Å; E8-I11 PolarHBondContact O-N 2.94Å; E8-I12 VanDerWaalsContact O-CG1 3.25Å; E8-I12 WeakPolarHBondContact O-CG1 3.43Å; E8-I12 PolarHBondContact O-N 3.17Å; E8-F61 HydrophobicContact CG-CE2 4.37Å; E8-F61 HydrophobicContact CG-CZ 4.01Å; E8-S65 WeakPolarHBondContact CG-OG 3.39Å; E8-K68 WeakPolarHBondContact OE1-CE 3.39Å; E8-K68 IonicContact OE1-NZ 2.67Å; E8-K68 PolarHBondContact OE1-NZ 2.78Å; E8-K68 IonicContact OE2-NZ 2.87Å; E8-K68 PolarHBondContact OE2-NZ 3.21Å
9S92.8Very high91.5Very high64 Ų6459.2 Ų59.245%0.44831%0.308SS..Hα-helixtrans-60.7-44.2175.1-176.70000112.1T5 L7 I11 I12 R13T5-S9 PolarHBondContact O-N 3.44Å; L7-S9 VanDerWaalsContact C-N 3.29Å; L7-S9 PolarHBondContact O-N 3.4Å; S9-I11 VanDerWaalsContact C-N 3.34Å; S9-I11 PolarHBondContact O-N 2.97Å; S9-I12 PolarHBondContact O-N 2.85Å; S9-R13 WeakPolarHBondContact O-CB 3.4Å; S9-R13 PolarHBondContact O-N 3.23Å
10K93.8Very high91.5Very high87 Ų8757 Ų5738%0.37830%0.3SS..Hα-helixtrans-62.3-40.5175.1-72.5-175.1178.7-1630111.9P6 L7 E8 Q14 L55 E121P6-K10 WeakPolarHBondContact O-CG 3.49Å; P6-K10 PolarHBondContact O-N 2.87Å; P6-K10 VanDerWaalsContact O-N 3.12Å; L7-K10 PolarHBondContact O-N 2.81Å; E8-K10 PolarHBondContact O-N 2.94Å; K10-Q14 VanDerWaalsContact O-CB 3.28Å; K10-Q14 WeakPolarHBondContact O-CB 3.25Å; K10-Q14 PolarHBondContact O-N 3.41Å; K10-L55 HydrophobicContact CB-CD1 4.06Å; K10-L55 HydrophobicContact CB-CD2 4.05Å; K10-L55 HydrophobicContact CD-CD2 4.37Å; K10-E121 IonicContact NZ-OE1 3.75Å; K10-E121 PolarHBondContact NZ-OE1 3.49Å
11I96.8Very high91.4Very high0 Ų055.8 Ų55.80%029%0.294CS..Hα-helixtrans-63.9-50.9175.8-69.7169.1000110.7L7 E8 S9 R13 Q14 V15 L52 L55 F61 I62 V66L7-I11 HydrophobicContact CD1-CD1 4.48Å; L7-I11 HydrophobicContact CG-CD1 4.21Å; L7-I11 WeakPolarHBondContact O-CG1 3.14Å; L7-I11 PolarHBondContact O-N 3.21Å; E8-I11 PolarHBondContact O-N 2.94Å; S9-I11 VanDerWaalsContact C-N 3.34Å; S9-I11 PolarHBondContact O-N 2.97Å; I11-R13 PolarHBondContact O-N 2.89Å; I11-Q14 PolarHBondContact O-N 3.49Å; I11-V15 HydrophobicContact CG2-CG2 4.46Å; I11-V15 WeakPolarHBondContact O-CG2 3.28Å; I11-V15 PolarHBondContact O-N 3.13Å; I11-L52 HydrophobicContact CG2-CD1 4.12Å; I11-L55 HydrophobicContact CG1-CB 3.98Å; I11-L55 HydrophobicContact CG1-CD1 4.2Å; I11-F61 HydrophobicContact CD1-CD1 4.05Å; I11-F61 HydrophobicContact CD1-CE1 3.64Å; I11-I62 HydrophobicContact CG2-CG2 4Å; I11-V66 HydrophobicContact CG2-CG2 4.17Å
12I95.9Very high92.6Very high15 Ų1545 Ų458%0.07724%0.241CC..Hα-helixtrans-55.4-52.7178.4-69.5161.8000109.8I4 E8 S9 Q14 V15 E16 S65 K68I4-I12 HydrophobicContact CD1-CD1 4.2Å; I4-I12 HydrophobicContact CG2-CD1 3.97Å; E8-I12 VanDerWaalsContact O-CG1 3.25Å; E8-I12 WeakPolarHBondContact O-CG1 3.43Å; E8-I12 PolarHBondContact O-N 3.17Å; S9-I12 PolarHBondContact O-N 2.85Å; I12-Q14 VanDerWaalsContact C-N 3.29Å; I12-Q14 PolarHBondContact O-N 2.86Å; I12-V15 PolarHBondContact O-N 3.44Å; I12-E16 HydrophobicContact CG2-CG 4.22Å; I12-E16 WeakPolarHBondContact O-CB 3.43Å; I12-E16 WeakPolarHBondContact O-CG 3.48Å; I12-E16 PolarHBondContact O-N 3.46Å; I12-S65 WeakPolarHBondContact CD1-O 3.39Å; I12-S65 VanDerWaalsContact CG1-O 3.28Å; I12-S65 WeakPolarHBondContact CG1-O 3.26Å; I12-K68 HydrophobicContact CD1-CB 4.34Å
13R93.7Very high93.4Very high40 Ų4040.8 Ų40.815%0.15122%0.215CC..Hα-helixtrans-57.2-43.2179.5-174.5-174176.3-70.5-7.7111.8S9 I11 Y17 I120 E124 T130S9-R13 WeakPolarHBondContact O-CB 3.4Å; S9-R13 PolarHBondContact O-N 3.23Å; I11-R13 PolarHBondContact O-N 2.89Å; R13-Y17 WeakPolarHBondContact O-CB 3.3Å; R13-Y17 PolarHBondContact O-N 3.41Å; R13-I120 VanDerWaalsContact NH2-CG2 3.29Å; R13-E124 IonicContact CZ-OE1 3.81Å; R13-E124 IonicContact NE-OE1 3.57Å; R13-E124 PolarHBondContact NE-OE1 2.85Å; R13-E124 IonicContact NE-OE2 3.68Å; R13-E124 IonicContact NH2-OE1 3.78Å; R13-T130 PolarHBondContact NH2-OG1 3.16Å
14Q95.7Very high93.6Very high5 Ų532.6 Ų32.62%0.02318%0.177CC..Hα-helixtrans-69.3-38.1-177.8-170.955.170.700112.4K10 I11 I12 Y18 R51 L55K10-Q14 VanDerWaalsContact O-CB 3.28Å; K10-Q14 WeakPolarHBondContact O-CB 3.25Å; K10-Q14 PolarHBondContact O-N 3.41Å; I11-Q14 PolarHBondContact O-N 3.49Å; I12-Q14 VanDerWaalsContact C-N 3.29Å; I12-Q14 PolarHBondContact O-N 2.86Å; Q14-Y18 HydrophobicContact CG-CE2 3.88Å; Q14-Y18 PolarHBondContact NE2-OH 3.13Å; Q14-Y18 VanDerWaalsContact O-CD2 3.24Å; Q14-Y18 WeakPolarHBondContact O-CD2 3.44Å; Q14-Y18 PolarHBondContact O-N 3.35Å; Q14-R51 HydrophobicContact CG-CB 4.2Å; Q14-L55 HydrophobicContact CB-CD1 4.23Å
15V96.4Very high93.4Very high1 Ų129.3 Ų29.31%0.00616%0.161CC..Hα-helixtrans-69.2-46.5174.8172.90000110.6I11 I12 Y17 Y18 F19 L52 V66 I74 L81I11-V15 HydrophobicContact CG2-CG2 4.46Å; I11-V15 WeakPolarHBondContact O-CG2 3.28Å; I11-V15 PolarHBondContact O-N 3.13Å; I12-V15 PolarHBondContact O-N 3.44Å; V15-Y17 VanDerWaalsContact C-N 3.26Å; V15-Y17 PolarHBondContact O-N 3.36Å; V15-Y18 PolarHBondContact O-N 3.48Å; V15-F19 HydrophobicContact CG1-CD2 3.92Å; V15-F19 HydrophobicContact CG1-CE2 4.06Å; V15-F19 WeakPolarHBondContact O-CD2 3.47Å; V15-F19 PolarHBondContact O-N 3.24Å; V15-F19 VanDerWaalsContact O-N 3.17Å; V15-L52 HydrophobicContact CG2-CD1 4.18Å; V15-L52 HydrophobicContact CG2-CD2 4.19Å; V15-V66 HydrophobicContact CB-CG2 4.07Å; V15-V66 HydrophobicContact CG1-CG1 4.26Å; V15-V66 HydrophobicContact CG1-CG2 4.06Å; V15-V66 HydrophobicContact CG2-CG2 3.8Å; V15-I74 HydrophobicContact CG1-CD1 4.23Å; V15-I74 HydrophobicContact CG1-CG1 4.08Å; V15-I74 HydrophobicContact CG1-CG2 4.22Å; V15-L81 HydrophobicContact CG1-CD1 3.88Å; V15-L81 HydrophobicContact CG2-CD1 4.25Å
16E95.3Very high93Very high18 Ų1830.5 Ų30.58%0.08416%0.158CC..Hα-helixtrans-58.4-38.6175.3-75.3-176.2174.900112.2I12 Y18 F19 G20 S69 S71 L73 I74 K129I12-E16 HydrophobicContact CG2-CG 4.22Å; I12-E16 WeakPolarHBondContact O-CB 3.43Å; I12-E16 WeakPolarHBondContact O-CG 3.48Å; I12-E16 PolarHBondContact O-N 3.46Å; E16-Y18 PolarHBondContact O-N 3.12Å; E16-F19 CarbonylContact O-C 3.56Å; E16-G20 VanDerWaalsContact O-CA 3.26Å; E16-G20 WeakPolarHBondContact O-CA 3.45Å; E16-G20 PolarHBondContact O-N 3.4Å; E16-S69 PolarHBondContact OE1-OG 3.5Å; E16-S71 WeakPolarHBondContact OE1-CB 3.28Å; E16-S71 PolarHBondContact OE1-OG 3.03Å; E16-L73 HydrophobicContact CB-CD2 4.29Å; E16-L73 HydrophobicContact CG-CD2 4.38Å; E16-I74 HydrophobicContact CG-CG1 4.42Å; E16-K129 IonicContact OE2-NZ 3.24Å; E16-K129 PolarHBondContact OE2-NZ 3.22Å
17Y95.1Very high93Very high58 Ų5827.6 Ų27.623%0.22714%0.137CC..Hα-helixtrans-59.5-46.2172.8167.4-93.9000111.6R13 V15 F19 G20 N23 R26 D132R13-Y17 WeakPolarHBondContact O-CB 3.3Å; R13-Y17 PolarHBondContact O-N 3.41Å; V15-Y17 VanDerWaalsContact C-N 3.26Å; V15-Y17 PolarHBondContact O-N 3.36Å; Y17-F19 VanDerWaalsContact C-N 3.34Å; Y17-F19 PolarHBondContact O-N 2.98Å; Y17-G20 PolarHBondContact O-N 3.19Å; Y17-N23 HydrophobicContact CE1-CB 4.28Å; Y17-N23 HydrophobicContact CE2-CB 4.28Å; Y17-N23 WeakPolarHBondContact O-CB 3.21Å; Y17-N23 PolarHBondContact OH-OD1 3.5Å; Y17-R26 PolarHBondContact OH-NH2 2.62Å; Y17-D132 WeakPolarHBondContact CE2-OD1 3.37Å
18Y95.1Very high92.9Very high13 Ų1331.3 Ų31.35%0.05115%0.15CC..Hα-helixtrans-62-42.3-177.6-64.7-39.6000112.8Q14 V15 E16 N23 L24 M46 F49 L52Q14-Y18 HydrophobicContact CG-CE2 3.88Å; Q14-Y18 PolarHBondContact NE2-OH 3.13Å; Q14-Y18 VanDerWaalsContact O-CD2 3.24Å; Q14-Y18 WeakPolarHBondContact O-CD2 3.44Å; Q14-Y18 PolarHBondContact O-N 3.35Å; V15-Y18 PolarHBondContact O-N 3.48Å; E16-Y18 PolarHBondContact O-N 3.12Å; Y18-N23 PolarHBondContact O-ND2 2.93Å; Y18-L24 WeakPolarHBondContact O-CD2 3.41Å; Y18-M46 HydrophobicContact CD2-CE 3.84Å; Y18-M46 HydrophobicContact CE2-CE 4.44Å; Y18-F49 HydrophobicContact CD1-CD1 4.36Å; Y18-F49 AromaticContact CE1-CD1 3.95Å; Y18-F49 HydrophobicContact CE1-CD1 3.95Å; Y18-F49 HydrophobicContact CE2-CB 3.95Å; Y18-F49 HydrophobicContact CE2-CD1 4.31Å; Y18-F49 HydrophobicContact CE2-CG 4.13Å; Y18-F49 AromaticContact CZ-CD1 3.92Å; Y18-F49 WeakPolarHBondContact OH-CB 3.2Å; Y18-L52 HydrophobicContact CE2-CB 4.02Å; Y18-L52 HydrophobicContact CE2-CD2 4.46Å; Y18-L52 PolarHBondContact OH-N 3.31Å
19F94.9Very high92.7Very high0 Ų035.7 Ų35.70%017%0.169CC..Hα-helixtrans-90.8-0.3179.7-69.4-83.6000113.5V15 E16 Y17 L24 M30 V34 I41 M46 I74 L81 R83V15-F19 HydrophobicContact CG1-CD2 3.92Å; V15-F19 HydrophobicContact CG1-CE2 4.06Å; V15-F19 WeakPolarHBondContact O-CD2 3.47Å; V15-F19 PolarHBondContact O-N 3.24Å; V15-F19 VanDerWaalsContact O-N 3.17Å; E16-F19 CarbonylContact O-C 3.56Å; Y17-F19 VanDerWaalsContact C-N 3.34Å; Y17-F19 PolarHBondContact O-N 2.98Å; F19-L24 WeakPolarHBondContact O-CD1 3.35Å; F19-L24 WeakPolarHBondContact O-CG 3.38Å; F19-M30 HydrophobicContact CD1-CE 4.13Å; F19-M30 HydrophobicContact CE1-CE 4.05Å; F19-M30 HydrophobicContact CE2-CE 4.42Å; F19-M30 HydrophobicContact CG-CE 4.38Å; F19-M30 HydrophobicContact CZ-CE 4.21Å; F19-V34 HydrophobicContact CD1-CG1 4.39Å; F19-V34 HydrophobicContact CE1-CG1 4.23Å; F19-I41 HydrophobicContact CE1-CD1 3.7Å; F19-I41 HydrophobicContact CE1-CG1 4.24Å; F19-I41 HydrophobicContact CZ-CB 4.39Å; F19-I41 HydrophobicContact CZ-CD1 3.73Å; F19-I41 HydrophobicContact CZ-CG1 4.19Å; F19-M46 HydrophobicContact CE2-CE 3.76Å; F19-M46 HydrophobicContact CE2-SD 4.11Å; F19-M46 HydrophobicContact CZ-CE 4.41Å; F19-M46 HydrophobicContact CZ-SD 4.15Å; F19-I74 HydrophobicContact CB-CD1 3.34Å; F19-I74 HydrophobicContact CD2-CD1 3.56Å; F19-I74 HydrophobicContact CE2-CD1 4.46Å; F19-I74 HydrophobicContact CG-CD1 3.58Å; F19-L81 HydrophobicContact CE2-CB 4.1Å; F19-L81 HydrophobicContact CZ-CB 4.05Å; F19-R83 HydrophobicContact CB-CB 4.36Å; F19-R83 HydrophobicContact CD1-CB 3.83Å; F19-R83 HydrophobicContact CG-CB 4.47Å; F19-R83 WeakPolarHBondContact O-CD 3.29Å; F19-R83 PolarHBondContact O-NH1 3.27Å
20G91.9Very high92.7Very high15 Ų1532.7 Ų32.716%0.15515%0.148CC..SBendtrans-69.3154.917900000112.1E16 Y17 V22 N23 L24E16-G20 VanDerWaalsContact O-CA 3.26Å; E16-G20 WeakPolarHBondContact O-CA 3.45Å; E16-G20 PolarHBondContact O-N 3.4Å; Y17-G20 PolarHBondContact O-N 3.19Å; G20-V22 VanDerWaalsContact C-N 3.29Å; G20-V22 PolarHBondContact O-N 3.2Å; G20-N23 PolarHBondContact O-N 2.7Å; G20-L24 WeakPolarHBondContact O-CB 3.4Å; G20-L24 PolarHBondContact O-N 3.03Å
21D89.9Confident92.5Very high31 Ų3132.1 Ų32.117%0.16615%0.145CC..Hα-helixtrans-51.7-45.6-176.2-70.2-14.9000113.7S25 R83 P90 A96 Y100D21-S25 WeakPolarHBondContact O-CB 3.22Å; D21-S25 PolarHBondContact O-N 3.41Å; D21-S25 PolarHBondContact O-OG 3.14Å; D21-R83 IonicContact OD1-CZ 2.63Å; D21-R83 IonicContact OD1-NH1 2.67Å; D21-R83 PolarHBondContact OD1-NH1 2.94Å; D21-R83 IonicContact OD1-NH2 3.21Å; D21-R83 PolarHBondContact OD1-NH2 3.31Å; D21-P90 HydrophobicContact CB-CG 3.89Å; D21-P90 WeakPolarHBondContact OD1-CD 3.34Å; D21-A96 HydrophobicContact CB-CB 4.47Å; D21-Y100 HydrophobicContact CB-CE2 4.14Å; D21-Y100 PolarHBondContact OD2-OH 3.09Å
22V87.4Confident92.3Very high6 Ų636.7 Ų36.74%0.03617%0.166CC..Hα-helixtrans-69.7-41.5-175.9-176.80000111G20 S25 R26 F93 L97 Y100 D132 I151G20-V22 VanDerWaalsContact C-N 3.29Å; G20-V22 PolarHBondContact O-N 3.2Å; V22-S25 PolarHBondContact O-OG 3.47Å; V22-R26 WeakPolarHBondContact O-CB 3.35Å; V22-F93 HydrophobicContact CG1-CE2 4.02Å; V22-L97 HydrophobicContact CG1-CD2 4.06Å; V22-Y100 HydrophobicContact CG2-CD2 4.15Å; V22-Y100 HydrophobicContact CG2-CE2 4.35Å; V22-D132 HydrophobicContact CB-CB 4.24Å; V22-D132 HydrophobicContact CG1-CB 3.88Å; V22-I151 HydrophobicContact CG1-CD1 4.47Å; V22-I151 HydrophobicContact CG2-CD1 4.28Å
23N92.1Very high92.1Very high6 Ų636.6 Ų36.63%0.03217%0.168CC..Hα-helixtrans-75.7-47.3179.9-168.669000111.5Y17 Y18 G20 S25 R26 D27Y17-N23 HydrophobicContact CE1-CB 4.28Å; Y17-N23 HydrophobicContact CE2-CB 4.28Å; Y17-N23 WeakPolarHBondContact O-CB 3.21Å; Y17-N23 PolarHBondContact OH-OD1 3.5Å; Y18-N23 PolarHBondContact O-ND2 2.93Å; G20-N23 PolarHBondContact O-N 2.7Å; N23-S25 PolarHBondContact O-N 3.26Å; N23-R26 PolarHBondContact O-N 3.4Å; N23-D27 WeakPolarHBondContact O-CB 3.29Å; N23-D27 PolarHBondContact O-N 3.39Å
24L90.5Very high91.9Very high2 Ų236.5 Ų36.51%0.0117%0.172CC..Hα-helixtrans-60.9-32.9177.7-74.6-170.9000112.4Y18 F19 G20 R26 M30 K31 V34 R83 V89Y18-L24 WeakPolarHBondContact O-CD2 3.41Å; F19-L24 WeakPolarHBondContact O-CD1 3.35Å; F19-L24 WeakPolarHBondContact O-CG 3.38Å; G20-L24 WeakPolarHBondContact O-CB 3.4Å; G20-L24 PolarHBondContact O-N 3.03Å; L24-R26 PolarHBondContact O-N 2.85Å; L24-M30 HydrophobicContact CD2-CB 3.67Å; L24-M30 HydrophobicContact CD2-CE 3.96Å; L24-K31 WeakPolarHBondContact O-CE 3.44Å; L24-K31 WeakPolarHBondContact O-CG 3.35Å; L24-V34 HydrophobicContact CD2-CG1 4.11Å; L24-R83 VanDerWaalsContact CD1-CD 3.46Å; L24-V89 HydrophobicContact CB-CG1 4.11Å; L24-V89 HydrophobicContact CD1-CG1 4.41Å; L24-V89 HydrophobicContact CD1-CG2 4.11Å
25S87Confident91.6Very high3 Ų344.7 Ų44.72%0.02121%0.207CC..THydrogen-bonded Turntrans-77.8-4.8176.1630000113.9D21 V22 N23 K31 A96D21-S25 WeakPolarHBondContact O-CB 3.22Å; D21-S25 PolarHBondContact O-N 3.41Å; D21-S25 PolarHBondContact O-OG 3.14Å; V22-S25 PolarHBondContact O-OG 3.47Å; N23-S25 PolarHBondContact O-N 3.26Å; S25-K31 VanDerWaalsContact CA-CE 3.45Å; S25-K31 WeakPolarHBondContact O-CE 3.43Å; S25-K31 PolarHBondContact O-NZ 3.05Å; S25-A96 VanDerWaalsContact OG-CB 3.26Å; S25-A96 WeakPolarHBondContact OG-CB 3.04Å
26R86.9Confident91.3Very high88 Ų8850.3 Ų50.333%0.33223%0.234SC..THydrogen-bonded Turntrans-118.7-45.1-178.5-175.1176.663.7-155.6-5.7114.1Y17 V22 N23 L24 K28 F93 D132Y17-R26 PolarHBondContact OH-NH2 2.62Å; V22-R26 WeakPolarHBondContact O-CB 3.35Å; N23-R26 PolarHBondContact O-N 3.4Å; L24-R26 PolarHBondContact O-N 2.85Å; R26-K28 PolarHBondContact O-N 3.11Å; R26-F93 HydrophobicContact CB-CD2 3.71Å; R26-F93 HydrophobicContact CB-CE2 3.84Å; R26-F93 HydrophobicContact CG-CD2 4.31Å; R26-F93 HydrophobicContact CG-CE2 4.17Å; R26-D132 IonicContact CZ-OD1 3.41Å; R26-D132 IonicContact NH1-OD1 3.97Å; R26-D132 IonicContact NH1-OD2 3.3Å; R26-D132 IonicContact NH2-OD1 2.8Å; R26-D132 PolarHBondContact NH2-OD1 2.84Å
27D91.4Very high91Very high48 Ų4854.7 Ų54.726%0.25726%0.257SS..  trans-75.4112.3-171.6-172.5-40.7000110.7N23 F29 M30 K31N23-D27 WeakPolarHBondContact O-CB 3.29Å; N23-D27 PolarHBondContact O-N 3.39Å; D27-F29 VanDerWaalsContact C-N 3.32Å; D27-F29 PolarHBondContact O-N 3.23Å; D27-F29 WeakPolarHBondContact OD1-CB 3.47Å; D27-F29 PolarHBondContact OD1-N 3.41Å; D27-M30 HydrophobicContact CB-CB 4.04Å; D27-M30 HydrophobicContact CB-CG 4.17Å; D27-M30 PolarHBondContact O-N 3.42Å; D27-M30 PolarHBondContact OD1-N 2.94Å; D27-M30 VanDerWaalsContact OD1-N 3.09Å; D27-K31 WeakPolarHBondContact O-CB 3.4Å; D27-K31 VanDerWaalsContact O-CG 3.29Å; D27-K31 WeakPolarHBondContact O-CG 3.34Å; D27-K31 PolarHBondContact O-N 3.45Å
28K91.4Very high90.8Very high148 Ų14857.9 Ų57.964%0.64328%0.279SS*.Hα-helixtrans-59-42.6-178-176.7180174.2-175.90112.1R26 K31 E32R26-K28 PolarHBondContact O-N 3.11Å; K28-K31 PolarHBondContact O-N 2.77Å; K28-E32 WeakPolarHBondContact CE-OE1 3.31Å; K28-E32 IonicContact NZ-OE1 3.23Å; K28-E32 WeakPolarHBondContact O-CG 3.4Å; K28-E32 PolarHBondContact O-N 3.3Å; K28-E32 VanDerWaalsContact O-N 3.12Å
29F93.7Very high90.6Very high102 Ų10257.8 Ų57.845%0.44728%0.281SS..Hα-helixtrans-66.9-48-177.8175.6-91.6000110.3D27 K31 E32 A33 T45 F49D27-F29 VanDerWaalsContact C-N 3.32Å; D27-F29 PolarHBondContact O-N 3.23Å; D27-F29 WeakPolarHBondContact OD1-CB 3.47Å; D27-F29 PolarHBondContact OD1-N 3.41Å; F29-K31 VanDerWaalsContact C-N 3.32Å; F29-K31 PolarHBondContact O-N 2.57Å; F29-E32 PolarHBondContact O-N 3.46Å; F29-A33 HydrophobicContact CE1-CB 4.27Å; F29-A33 WeakPolarHBondContact O-CB 3.34Å; F29-A33 PolarHBondContact O-N 2.81Å; F29-T45 HydrophobicContact CE1-CG2 3.94Å; F29-T45 HydrophobicContact CZ-CG2 3.64Å; F29-F49 HydrophobicContact CD1-CE1 4.28Å; F29-F49 HydrophobicContact CD1-CE2 4.47Å; F29-F49 AromaticContact CD1-CZ 3.6Å; F29-F49 HydrophobicContact CD1-CZ 3.6Å; F29-F49 AromaticContact CE1-CE2 3.93Å; F29-F49 HydrophobicContact CE1-CE2 3.93Å; F29-F49 AromaticContact CE1-CZ 3.49Å; F29-F49 HydrophobicContact CE1-CZ 3.49Å; F29-F49 VanDerWaalsContact CE1-CZ 3.49Å
30M92.1Very high90.6Very high0 Ų059.6 Ų59.60%029%0.288CS..Hα-helixtrans-63.1-39.5179-69.7-62.9-61.300111.9F19 L24 D27 E32 A33 V34 I41 F49F19-M30 HydrophobicContact CD1-CE 4.13Å; F19-M30 HydrophobicContact CE1-CE 4.05Å; F19-M30 HydrophobicContact CE2-CE 4.42Å; F19-M30 HydrophobicContact CG-CE 4.38Å; F19-M30 HydrophobicContact CZ-CE 4.21Å; L24-M30 HydrophobicContact CD2-CB 3.67Å; L24-M30 HydrophobicContact CD2-CE 3.96Å; D27-M30 HydrophobicContact CB-CB 4.04Å; D27-M30 HydrophobicContact CB-CG 4.17Å; D27-M30 PolarHBondContact O-N 3.42Å; D27-M30 PolarHBondContact OD1-N 2.94Å; D27-M30 VanDerWaalsContact OD1-N 3.09Å; M30-E32 VanDerWaalsContact C-N 3.29Å; M30-E32 PolarHBondContact O-N 3.36Å; M30-A33 PolarHBondContact O-N 3.48Å; M30-V34 WeakPolarHBondContact O-CG1 3.48Å; M30-V34 WeakPolarHBondContact O-CG2 3.08Å; M30-V34 PolarHBondContact O-N 2.93Å; M30-I41 HydrophobicContact CE-CD1 3.54Å; M30-I41 HydrophobicContact SD-CD1 4.12Å; M30-F49 HydrophobicContact CG-CE1 4.34Å; M30-F49 HydrophobicContact CG-CZ 4.31Å; M30-F49 HydrophobicContact SD-CE1 3.86Å; M30-F49 HydrophobicContact SD-CE2 4.24Å; M30-F49 HydrophobicContact SD-CZ 3.35Å; M30-F49 WeakPolarHBondContact SD-CZ 3.35Å
31K89.7Confident90.8Very high76 Ų7659 Ų5933%0.3328%0.281SS..Hα-helixtrans-58.1-39.5174.5-79.7-174.5179.3-170.20113.7L24 S25 D27 K28 F29 K35L24-K31 WeakPolarHBondContact O-CE 3.44Å; L24-K31 WeakPolarHBondContact O-CG 3.35Å; S25-K31 VanDerWaalsContact CA-CE 3.45Å; S25-K31 WeakPolarHBondContact O-CE 3.43Å; S25-K31 PolarHBondContact O-NZ 3.05Å; D27-K31 WeakPolarHBondContact O-CB 3.4Å; D27-K31 VanDerWaalsContact O-CG 3.29Å; D27-K31 WeakPolarHBondContact O-CG 3.34Å; D27-K31 PolarHBondContact O-N 3.45Å; K28-K31 PolarHBondContact O-N 2.77Å; F29-K31 VanDerWaalsContact C-N 3.32Å; F29-K31 PolarHBondContact O-N 2.57Å; K31-K35 WeakPolarHBondContact O-CG 3.16Å
32E92.1Very high91.1Very high95 Ų9559.4 Ų59.444%0.44429%0.286SS..Hα-helixtrans-75.6-46179.7-72.2169.4178.400109.6K28 F29 M30 V34 K35 E36K28-E32 WeakPolarHBondContact CE-OE1 3.31Å; K28-E32 IonicContact NZ-OE1 3.23Å; K28-E32 WeakPolarHBondContact O-CG 3.4Å; K28-E32 PolarHBondContact O-N 3.3Å; K28-E32 VanDerWaalsContact O-N 3.12Å; F29-E32 PolarHBondContact O-N 3.46Å; M30-E32 VanDerWaalsContact C-N 3.29Å; M30-E32 PolarHBondContact O-N 3.36Å; E32-V34 PolarHBondContact O-N 3.26Å; E32-K35 WeakPolarHBondContact O-CB 3.47Å; E32-K35 PolarHBondContact O-N 3.27Å; E32-E36 PolarHBondContact O-N 2.92Å
33A91Very high91.5Very high13 Ų1359.5 Ų59.511%0.10729%0.286CS..Hα-helixtrans-59.7-39.2-179.500000113.5F29 M30 K35 E36 I41F29-A33 HydrophobicContact CE1-CB 4.27Å; F29-A33 WeakPolarHBondContact O-CB 3.34Å; F29-A33 PolarHBondContact O-N 2.81Å; M30-A33 PolarHBondContact O-N 3.48Å; A33-K35 VanDerWaalsContact C-N 3.26Å; A33-K35 PolarHBondContact O-N 3.44Å; A33-E36 PolarHBondContact O-N 2.88Å; A33-I41 HydrophobicContact CB-CD1 3.83Å; A33-I41 HydrophobicContact CB-CG1 4.18Å
34V90.2Very high91.7Very high38 Ų3865.6 Ų65.623%0.2331%0.314CS..THydrogen-bonded Turntrans-74.8-11.3178.6-60.90000114.1F19 L24 M30 E32 G39 I41F19-V34 HydrophobicContact CD1-CG1 4.39Å; F19-V34 HydrophobicContact CE1-CG1 4.23Å; L24-V34 HydrophobicContact CD2-CG1 4.11Å; M30-V34 WeakPolarHBondContact O-CG1 3.48Å; M30-V34 WeakPolarHBondContact O-CG2 3.08Å; M30-V34 PolarHBondContact O-N 2.93Å; E32-V34 PolarHBondContact O-N 3.26Å; V34-G39 VanDerWaalsContact O-CA 3.25Å; V34-G39 WeakPolarHBondContact O-CA 3.5Å; V34-I41 HydrophobicContact CG1-CD1 4.06Å
35K89.2Confident91.9Very high177 Ų17767.1 Ų67.177%0.7732%0.323SS*.THydrogen-bonded Turntrans-86-22.1173-69.1174.8-178.5-175.90112K31 E32 A33K31-K35 WeakPolarHBondContact O-CG 3.16Å; E32-K35 WeakPolarHBondContact O-CB 3.47Å; E32-K35 PolarHBondContact O-N 3.27Å; A33-K35 VanDerWaalsContact C-N 3.26Å; A33-K35 PolarHBondContact O-N 3.44Å
36E89.9Confident92.3Very high120 Ų12067 Ų6756%0.56132%0.322SS*.SBendtrans-86.3159.7177.1-64.3-178.718000110.7E32 A33 D38 G39E32-E36 PolarHBondContact O-N 2.92Å; A33-E36 PolarHBondContact O-N 2.88Å; E36-D38 PolarHBondContact O-N 3.4Å; E36-G39 PolarHBondContact O-N 3.24Å
37N89.9Confident92.7Very high109 Ų10964.2 Ų64.258%0.58331%0.314SS*.G310 helixtrans49.336.9171.3-57.5-47.1000114.8G39 W40N37-G39 PolarHBondContact O-N 3.39Å; N37-W40 HydrophobicContact CB-CB 4.44Å; N37-W40 WeakPolarHBondContact O-CB 3.37Å; N37-W40 VanDerWaalsContact O-CD1 3.28Å; N37-W40 PolarHBondContact O-N 2.93Å; N37-W40 VanDerWaalsContact O-N 3.08Å
38D90.2Very high92.9Very high126 Ų12669.2 Ų69.267%0.67433%0.333SS*.G310 helixtrans5633.7-177.5-16841.7000112.8E36 W40 R82E36-D38 PolarHBondContact O-N 3.4Å; D38-W40 VanDerWaalsContact C-N 3.31Å; D38-W40 PolarHBondContact O-N 3.45Å; D38-R82 VanDerWaalsContact CG-NH1 3.33Å; D38-R82 WeakPolarHBondContact O-CD 3.44Å; D38-R82 PolarHBondContact O-NH1 3.14Å; D38-R82 IonicContact OD1-NH1 3.51Å; D38-R82 IonicContact OD2-CZ 3.92Å; D38-R82 IonicContact OD2-NH1 3.85Å; D38-R82 PolarHBondContact OD2-NH1 2.9Å
39G90.9Very high93.1Very high10 Ų1063.7 Ų63.710%0.10331%0.309CS..G310 helixtrans82.2-1.8-179.100000115.5V34 E36 N37 I41 R82V34-G39 VanDerWaalsContact O-CA 3.25Å; V34-G39 WeakPolarHBondContact O-CA 3.5Å; E36-G39 PolarHBondContact O-N 3.24Å; N37-G39 PolarHBondContact O-N 3.39Å; G39-I41 PolarHBondContact O-N 2.88Å; G39-R82 WeakPolarHBondContact O-CB 3.48Å; G39-R82 VanDerWaalsContact O-CG 3.29Å; G39-R82 WeakPolarHBondContact O-CG 3.3Å
40W95.6Very high93.1Very high39 Ų3965.2 Ų65.215%0.14832%0.322CS..PPolyproline II helixtrans-77.1120.6177.1-68.397.2000111.5N37 D38 E75 K79 G80 R82N37-W40 HydrophobicContact CB-CB 4.44Å; N37-W40 WeakPolarHBondContact O-CB 3.37Å; N37-W40 VanDerWaalsContact O-CD1 3.28Å; N37-W40 PolarHBondContact O-N 2.93Å; N37-W40 VanDerWaalsContact O-N 3.08Å; D38-W40 VanDerWaalsContact C-N 3.31Å; D38-W40 PolarHBondContact O-N 3.45Å; W40-E75 HydrophobicContact CH2-CB 4.14Å; W40-K79 HydrophobicContact CB-CB 4.14Å; W40-K79 HydrophobicContact CD2-CB 4.23Å; W40-K79 HydrophobicContact CE3-CB 4.4Å; W40-K79 HydrophobicContact CG-CB 4.13Å; W40-K79 HydrophobicContact CG-CD 4.47Å; W40-G80 WeakPolarHBondContact CZ3-O 3.24Å; W40-R82 HydrophobicContact CD2-CB 3.83Å; W40-R82 HydrophobicContact CE3-CB 3.67Å; W40-R82 HydrophobicContact CG-CB 4.35Å; W40-R82 HydrophobicContact CH2-CB 4.31Å; W40-R82 HydrophobicContact CZ2-CB 4.46Å; W40-R82 HydrophobicContact CZ3-CB 3.91Å
41I96Very high93.2Very high2 Ų268.8 Ų68.81%0.0134%0.336CS..BIsolated β-bridgetrans-100.7117.6172.5-54-174.8000108.8F19 M30 A33 V34 G39 T45 M46 G80 L81F19-I41 HydrophobicContact CE1-CD1 3.7Å; F19-I41 HydrophobicContact CE1-CG1 4.24Å; F19-I41 HydrophobicContact CZ-CB 4.39Å; F19-I41 HydrophobicContact CZ-CD1 3.73Å; F19-I41 HydrophobicContact CZ-CG1 4.19Å; M30-I41 HydrophobicContact CE-CD1 3.54Å; M30-I41 HydrophobicContact SD-CD1 4.12Å; A33-I41 HydrophobicContact CB-CD1 3.83Å; A33-I41 HydrophobicContact CB-CG1 4.18Å; V34-I41 HydrophobicContact CG1-CD1 4.06Å; G39-I41 PolarHBondContact O-N 2.88Å; I41-T45 HydrophobicContact CG2-CG2 3.72Å; I41-M46 HydrophobicContact CB-CG 4.42Å; I41-M46 HydrophobicContact CB-SD 4.02Å; I41-M46 HydrophobicContact CD1-SD 4.46Å; I41-M46 HydrophobicContact CG2-CG 3.95Å; I41-M46 HydrophobicContact CG2-SD 3.58Å; I41-M46 VanDerWaalsContact CG2-SD 3.58Å; I41-G80 WeakPolarHBondContact O-CA 3.24Å; I41-L81 PolarHBondContact N-O 3.24Å; I41-L81 PolarHBondContact O-N 2.9Å
42P96.8Very high93.5Very high40 Ų4065.1 Ų65.126%0.2632%0.32SS..PPolyproline II helixtrans-57.9148.1178.4-24.833.9000112.9E44 T45 M46 K79P42-E44 WeakPolarHBondContact CB-OE2 3.34Å; P42-E44 PolarHBondContact O-N 2.7Å; P42-T45 WeakPolarHBondContact O-CA 3.28Å; P42-T45 WeakPolarHBondContact O-CB 3.44Å; P42-T45 PolarHBondContact O-N 2.95Å; P42-M46 PolarHBondContact O-N 3.46Å; P42-K79 WeakPolarHBondContact CA-O 3.37Å
43M95.7Very high93.7Very high7 Ų765 Ų653%0.03432%0.318CS..Hα-helixtrans-63-32.5179.6-74.6-51.3-58.100112.2T45 M46 I47 A59 I62 K63 L81M43-T45 PolarHBondContact O-N 2.91Å; M43-M46 HydrophobicContact CE-CB 4.2Å; M43-M46 PolarHBondContact O-N 3.38Å; M43-M46 VanDerWaalsContact O-N 3.11Å; M43-M46 HydrophobicContact SD-CB 4.35Å; M43-M46 HydrophobicContact SD-CG 4.39Å; M43-I47 HydrophobicContact CB-CD1 4.46Å; M43-I47 HydrophobicContact CE-CG1 4.44Å; M43-I47 WeakPolarHBondContact O-CB 3.4Å; M43-I47 WeakPolarHBondContact O-CD1 3.37Å; M43-I47 VanDerWaalsContact O-CG1 3.29Å; M43-I47 WeakPolarHBondContact O-CG1 3.49Å; M43-I47 PolarHBondContact O-N 3.44Å; M43-A59 HydrophobicContact CB-CB 3.91Å; M43-A59 HydrophobicContact CE-CB 4.38Å; M43-A59 HydrophobicContact CG-CB 4.1Å; M43-I62 HydrophobicContact CE-CB 3.81Å; M43-I62 HydrophobicContact CE-CD1 4.01Å; M43-I62 HydrophobicContact CE-CG2 3.6Å; M43-K63 HydrophobicContact CG-CD 4.36Å; M43-K63 HydrophobicContact CG-CG 4.28Å; M43-K63 HydrophobicContact SD-CG 4.03Å; M43-L81 HydrophobicContact SD-CD1 4.02Å; M43-L81 HydrophobicContact SD-CD2 4.44Å; M43-L81 HydrophobicContact SD-CG 3.77Å
44E94.9Very high93.9Very high135 Ų13569 Ų6963%0.63135%0.345SS*.Hα-helixtrans-59.1-30.9173.7-5974.6-163.400111.5P42 K48P42-E44 WeakPolarHBondContact CB-OE2 3.34Å; P42-E44 PolarHBondContact O-N 2.7Å; E44-K48 WeakPolarHBondContact O-CE 3.22Å; E44-K48 WeakPolarHBondContact O-CG 3.45Å
45T95.4Very high94.2Very high33 Ų3369.3 Ų69.320%0.20235%0.345CS..Hα-helixtrans-81.2-43.4173.6-62.40000111F29 I41 P42 M43 I47 K48 F49F29-T45 HydrophobicContact CE1-CG2 3.94Å; F29-T45 HydrophobicContact CZ-CG2 3.64Å; I41-T45 HydrophobicContact CG2-CG2 3.72Å; P42-T45 WeakPolarHBondContact O-CA 3.28Å; P42-T45 WeakPolarHBondContact O-CB 3.44Å; P42-T45 PolarHBondContact O-N 2.95Å; M43-T45 PolarHBondContact O-N 2.91Å; T45-I47 VanDerWaalsContact C-N 3.31Å; T45-I47 PolarHBondContact O-N 3.32Å; T45-K48 WeakPolarHBondContact O-CB 2.93Å; T45-K48 PolarHBondContact O-N 2.95Å; T45-K48 VanDerWaalsContact O-N 3.11Å; T45-F49 HydrophobicContact CG2-CE2 4.43Å; T45-F49 WeakPolarHBondContact O-CD2 3.24Å
46M95Very high94.5Very high0 Ų061.7 Ų61.70%031%0.314CS..Hα-helixtrans-60.1-38.9178.5-67.1-57.3-59.900112.7Y18 F19 I41 P42 M43 K48 F49 L52 L81Y18-M46 HydrophobicContact CD2-CE 3.84Å; Y18-M46 HydrophobicContact CE2-CE 4.44Å; F19-M46 HydrophobicContact CE2-CE 3.76Å; F19-M46 HydrophobicContact CE2-SD 4.11Å; F19-M46 HydrophobicContact CZ-CE 4.41Å; F19-M46 HydrophobicContact CZ-SD 4.15Å; I41-M46 HydrophobicContact CB-CG 4.42Å; I41-M46 HydrophobicContact CB-SD 4.02Å; I41-M46 HydrophobicContact CD1-SD 4.46Å; I41-M46 HydrophobicContact CG2-CG 3.95Å; I41-M46 HydrophobicContact CG2-SD 3.58Å; I41-M46 VanDerWaalsContact CG2-SD 3.58Å; P42-M46 PolarHBondContact O-N 3.46Å; M43-M46 HydrophobicContact CE-CB 4.2Å; M43-M46 PolarHBondContact O-N 3.38Å; M43-M46 VanDerWaalsContact O-N 3.11Å; M43-M46 HydrophobicContact SD-CB 4.35Å; M43-M46 HydrophobicContact SD-CG 4.39Å; M46-K48 PolarHBondContact O-N 3.25Å; M46-F49 WeakPolarHBondContact O-CD2 3.2Å; M46-F49 PolarHBondContact O-N 3.19Å; M46-F49 HydrophobicContact SD-CE2 4.38Å; M46-L52 HydrophobicContact CB-CD2 4.1Å; M46-L52 HydrophobicContact CE-CD2 4.17Å; M46-L81 HydrophobicContact CE-CD1 4.2Å; M46-L81 HydrophobicContact CG-CD1 4.22Å
47I95.4Very high94.8Very high30 Ų3061.8 Ų61.815%0.15431%0.314CS..THydrogen-bonded Turntrans-71.5-15.3179.8-65.6159.8000112.1M43 T45 F49 K53 E57 A59 I62M43-I47 HydrophobicContact CB-CD1 4.46Å; M43-I47 HydrophobicContact CE-CG1 4.44Å; M43-I47 WeakPolarHBondContact O-CB 3.4Å; M43-I47 WeakPolarHBondContact O-CD1 3.37Å; M43-I47 VanDerWaalsContact O-CG1 3.29Å; M43-I47 WeakPolarHBondContact O-CG1 3.49Å; M43-I47 PolarHBondContact O-N 3.44Å; T45-I47 VanDerWaalsContact C-N 3.31Å; T45-I47 PolarHBondContact O-N 3.32Å; I47-F49 VanDerWaalsContact C-N 3.26Å; I47-F49 PolarHBondContact O-N 2.91Å; I47-K53 HydrophobicContact CG2-CG 4.45Å; I47-K53 WeakPolarHBondContact O-CB 3.33Å; I47-E57 WeakPolarHBondContact CD1-O 3.41Å; I47-E57 HydrophobicContact CG2-CB 4.19Å; I47-E57 HydrophobicContact CG2-CG 4.23Å; I47-A59 HydrophobicContact CD1-CB 4.07Å; I47-I62 HydrophobicContact CG1-CD1 3.98Å
48K95.5Very high95.1Very high153 Ų15360.7 Ų60.767%0.66531%0.309SS*.THydrogen-bonded Turntrans-73.1-16.9173-68.2171-173.9173.60113.2E44 T45 M46 N50E44-K48 WeakPolarHBondContact O-CE 3.22Å; E44-K48 WeakPolarHBondContact O-CG 3.45Å; T45-K48 WeakPolarHBondContact O-CB 2.93Å; T45-K48 PolarHBondContact O-N 2.95Å; T45-K48 VanDerWaalsContact O-N 3.11Å; M46-K48 PolarHBondContact O-N 3.25Å; K48-N50 PolarHBondContact O-N 2.99Å
49F95.2Very high95.4Very high32 Ų3256.2 Ų56.214%0.1429%0.29CS..SBendtrans-74112.2177.7-70.8-99000110.3Y18 F29 M30 T45 M46 I47 R51 L52 K53Y18-F49 HydrophobicContact CD1-CD1 4.36Å; Y18-F49 AromaticContact CE1-CD1 3.95Å; Y18-F49 HydrophobicContact CE1-CD1 3.95Å; Y18-F49 HydrophobicContact CE2-CB 3.95Å; Y18-F49 HydrophobicContact CE2-CD1 4.31Å; Y18-F49 HydrophobicContact CE2-CG 4.13Å; Y18-F49 AromaticContact CZ-CD1 3.92Å; Y18-F49 WeakPolarHBondContact OH-CB 3.2Å; F29-F49 HydrophobicContact CD1-CE1 4.28Å; F29-F49 HydrophobicContact CD1-CE2 4.47Å; F29-F49 AromaticContact CD1-CZ 3.6Å; F29-F49 HydrophobicContact CD1-CZ 3.6Å; F29-F49 AromaticContact CE1-CE2 3.93Å; F29-F49 HydrophobicContact CE1-CE2 3.93Å; F29-F49 AromaticContact CE1-CZ 3.49Å; F29-F49 HydrophobicContact CE1-CZ 3.49Å; F29-F49 VanDerWaalsContact CE1-CZ 3.49Å; M30-F49 HydrophobicContact CG-CE1 4.34Å; M30-F49 HydrophobicContact CG-CZ 4.31Å; M30-F49 HydrophobicContact SD-CE1 3.86Å; M30-F49 HydrophobicContact SD-CE2 4.24Å; M30-F49 HydrophobicContact SD-CZ 3.35Å; M30-F49 WeakPolarHBondContact SD-CZ 3.35Å; T45-F49 HydrophobicContact CG2-CE2 4.43Å; T45-F49 WeakPolarHBondContact O-CD2 3.24Å; M46-F49 WeakPolarHBondContact O-CD2 3.2Å; M46-F49 PolarHBondContact O-N 3.19Å; M46-F49 HydrophobicContact SD-CE2 4.38Å; I47-F49 VanDerWaalsContact C-N 3.26Å; I47-F49 PolarHBondContact O-N 2.91Å; F49-R51 PolarHBondContact O-N 2.84Å; F49-L52 HydrophobicContact CB-CB 4.38Å; F49-L52 PolarHBondContact O-N 3.34Å; F49-K53 PolarHBondContact O-N 3.21Å
50N94.6Very high95.6Very high135 Ų13563.3 Ų63.372%0.72232%0.32SS*.Hα-helixtrans-47.1-41-172.9-67-21.2000114.7K48 S54K48-N50 PolarHBondContact O-N 2.99Å; N50-S54 WeakPolarHBondContact O-CB 3.49Å; N50-S54 PolarHBondContact O-N 3.28Å; N50-S54 PolarHBondContact O-OG 3.05Å
51R94Very high95.7Very high74 Ų7464.2 Ų64.228%0.27933%0.325SS..Hα-helixtrans-73.7-29.7-179.3-69.5-173.760.180.20.9113.7Q14 F49 S54 L55 D117Q14-R51 HydrophobicContact CG-CB 4.2Å; F49-R51 PolarHBondContact O-N 2.84Å; R51-S54 PolarHBondContact O-OG 2.91Å; R51-L55 WeakPolarHBondContact O-CG 3.48Å; R51-D117 IonicContact CZ-OD1 3.3Å; R51-D117 IonicContact CZ-OD2 3.03Å; R51-D117 IonicContact NH1-OD1 3.32Å; R51-D117 IonicContact NH1-OD2 3.01Å; R51-D117 PolarHBondContact NH1-OD2 2.86Å; R51-D117 IonicContact NH2-OD1 3.64Å; R51-D117 PolarHBondContact NH2-OD1 2.97Å; R51-D117 IonicContact NH2-OD2 3.73Å; R51-D117 PolarHBondContact NH2-OD2 3.4Å
52L96.3Very high95.7Very high0 Ų064.1 Ų64.10%033%0.325CS..Hα-helixtrans-78.2-42.6172.9-176.659000110.1I11 V15 Y18 M46 F49 S54 L55 S56 I62I11-L52 HydrophobicContact CG2-CD1 4.12Å; V15-L52 HydrophobicContact CG2-CD1 4.18Å; V15-L52 HydrophobicContact CG2-CD2 4.19Å; Y18-L52 HydrophobicContact CE2-CB 4.02Å; Y18-L52 HydrophobicContact CE2-CD2 4.46Å; Y18-L52 PolarHBondContact OH-N 3.31Å; M46-L52 HydrophobicContact CB-CD2 4.1Å; M46-L52 HydrophobicContact CE-CD2 4.17Å; F49-L52 HydrophobicContact CB-CB 4.38Å; F49-L52 PolarHBondContact O-N 3.34Å; L52-S54 VanDerWaalsContact C-N 3.28Å; L52-S54 PolarHBondContact O-N 3.42Å; L52-L55 WeakPolarHBondContact O-CA 3.48Å; L52-L55 WeakPolarHBondContact O-CB 3.38Å; L52-L55 PolarHBondContact O-N 3.49Å; L52-S56 PolarHBondContact O-N 3.47Å; L52-I62 HydrophobicContact CD2-CG2 4.5Å; L52-I62 HydrophobicContact CG-CD1 4.35Å
53K96.3Very high95.7Very high92 Ų9264.4 Ų64.440%0.432%0.322SS..Hα-helixtrans-54.8-40.9175.7-163.3179.2175.8174.20112.9I47 F49 L55 E57I47-K53 HydrophobicContact CG2-CG 4.45Å; I47-K53 WeakPolarHBondContact O-CB 3.33Å; F49-K53 PolarHBondContact O-N 3.21Å; K53-L55 PolarHBondContact O-N 2.93Å; K53-E57 WeakPolarHBondContact CE-OE1 3.17Å; K53-E57 HydrophobicContact CG-CG 3.84Å; K53-E57 IonicContact NZ-OE1 2.72Å
54S95.6Very high95.7Very high96 Ų9670.5 Ų70.567%0.67135%0.348SS*.THydrogen-bonded Turntrans-67.1-14.6177.258.90000114.2N50 R51 L52N50-S54 WeakPolarHBondContact O-CB 3.49Å; N50-S54 PolarHBondContact O-N 3.28Å; N50-S54 PolarHBondContact O-OG 3.05Å; R51-S54 PolarHBondContact O-OG 2.91Å; L52-S54 VanDerWaalsContact C-N 3.28Å; L52-S54 PolarHBondContact O-N 3.42Å
55L95.6Very high95.7Very high45 Ų4564 Ų6424%0.23632%0.318CS..THydrogen-bonded Turntrans-97.3-43.1177.4-61.3171.4000111.5L7 K10 I11 Q14 R51 L52 K53L7-L55 HydrophobicContact CD1-CB 4.21Å; L7-L55 HydrophobicContact CD1-CD2 4.22Å; K10-L55 HydrophobicContact CB-CD1 4.06Å; K10-L55 HydrophobicContact CB-CD2 4.05Å; K10-L55 HydrophobicContact CD-CD2 4.37Å; I11-L55 HydrophobicContact CG1-CB 3.98Å; I11-L55 HydrophobicContact CG1-CD1 4.2Å; Q14-L55 HydrophobicContact CB-CD1 4.23Å; R51-L55 WeakPolarHBondContact O-CG 3.48Å; L52-L55 WeakPolarHBondContact O-CA 3.48Å; L52-L55 WeakPolarHBondContact O-CB 3.38Å; L52-L55 PolarHBondContact O-N 3.49Å; K53-L55 PolarHBondContact O-N 2.93Å
56S96.5Very high95.8Very high18 Ų1862.7 Ų62.713%0.12631%0.309CS..  trans-162.6148.9176.5-176.10000111.2L52 D58L52-S56 PolarHBondContact O-N 3.47Å; S56-D58 PolarHBondContact OG-N 3.33Å
57E95.8Very high95.8Very high121 Ų12166.4 Ų66.457%0.56534%0.336SS*.  trans-109.5-4.3166.7-59-168.7-162.300112.2I47 K53 A59I47-E57 WeakPolarHBondContact CD1-O 3.41Å; I47-E57 HydrophobicContact CG2-CB 4.19Å; I47-E57 HydrophobicContact CG2-CG 4.23Å; K53-E57 WeakPolarHBondContact CE-OE1 3.17Å; K53-E57 HydrophobicContact CG-CG 3.84Å; K53-E57 IonicContact NZ-OE1 2.72Å; E57-A59 PolarHBondContact O-N 3.06Å
58D96.5Very high95.7Very high86 Ų8667 Ų6746%0.4634%0.337SS..  trans-80.1108.7178.1178.9-13.4000110.2S56 E60 F61 I62S56-D58 PolarHBondContact OG-N 3.33Å; D58-E60 PolarHBondContact O-N 3.05Å; D58-E60 PolarHBondContact OD1-N 2.84Å; D58-F61 HydrophobicContact CB-CB 3.8Å; D58-F61 VanDerWaalsContact CG-CB 3.46Å; D58-F61 PolarHBondContact O-N 3.43Å; D58-F61 PolarHBondContact OD1-N 2.94Å; D58-F61 WeakPolarHBondContact OD2-CB 3.36Å; D58-I62 WeakPolarHBondContact O-CD1 3.41Å; D58-I62 WeakPolarHBondContact O-CG1 3.38Å; D58-I62 PolarHBondContact O-N 3.19Å
59A95.6Very high95.6Very high33 Ų3361.1 Ų61.127%0.27332%0.315SS..Hα-helixtrans-61.5-39.9-178.700000113M43 I47 E57 I62 K63M43-A59 HydrophobicContact CB-CB 3.91Å; M43-A59 HydrophobicContact CE-CB 4.38Å; M43-A59 HydrophobicContact CG-CB 4.1Å; I47-A59 HydrophobicContact CD1-CB 4.07Å; E57-A59 PolarHBondContact O-N 3.06Å; A59-I62 PolarHBondContact O-N 3.1Å; A59-K63 WeakPolarHBondContact O-CB 3.34Å; A59-K63 WeakPolarHBondContact O-CG 3.44Å; A59-K63 PolarHBondContact O-N 2.76Å
60E95.6Very high95.3Very high159 Ų15968 Ų6874%0.74335%0.347SS*.Hα-helixtrans-70-43.4-179.7-65.3-170.7170.500110.3D58 I62 K63 K64D58-E60 PolarHBondContact O-N 3.05Å; D58-E60 PolarHBondContact OD1-N 2.84Å; E60-I62 PolarHBondContact O-N 3.32Å; E60-K63 PolarHBondContact O-N 3.02Å; E60-K64 VanDerWaalsContact O-CB 3.3Å; E60-K64 WeakPolarHBondContact O-CB 3.38Å; E60-K64 PolarHBondContact O-N 3.01Å
61F96.6Very high95Very high58 Ų5863.9 Ų63.925%0.25433%0.329SS..Hα-helixtrans-62-42.6175.3-178.2-110.5000112L7 E8 I11 D58 K64 S65L7-F61 HydrophobicContact CD2-CE1 3.84Å; L7-F61 HydrophobicContact CD2-CZ 4.14Å; L7-F61 HydrophobicContact CG-CE1 4.23Å; E8-F61 HydrophobicContact CG-CE2 4.37Å; E8-F61 HydrophobicContact CG-CZ 4.01Å; I11-F61 HydrophobicContact CD1-CD1 4.05Å; I11-F61 HydrophobicContact CD1-CE1 3.64Å; D58-F61 HydrophobicContact CB-CB 3.8Å; D58-F61 VanDerWaalsContact CG-CB 3.46Å; D58-F61 PolarHBondContact O-N 3.43Å; D58-F61 PolarHBondContact OD1-N 2.94Å; D58-F61 WeakPolarHBondContact OD2-CB 3.36Å; F61-K64 PolarHBondContact O-N 3.04Å; F61-S65 WeakPolarHBondContact O-CB 3.49Å; F61-S65 PolarHBondContact O-N 3.45Å; F61-S65 PolarHBondContact O-OG 3.06Å
62I97Very high94.7Very high0 Ų062.2 Ų62.20%034%0.335CS..Hα-helixtrans-62.2-48.8176.3-67.6161.8000110.6I11 M43 I47 L52 D58 A59 E60 K64 S65 V66I11-I62 HydrophobicContact CG2-CG2 4Å; M43-I62 HydrophobicContact CE-CB 3.81Å; M43-I62 HydrophobicContact CE-CD1 4.01Å; M43-I62 HydrophobicContact CE-CG2 3.6Å; I47-I62 HydrophobicContact CG1-CD1 3.98Å; L52-I62 HydrophobicContact CD2-CG2 4.5Å; L52-I62 HydrophobicContact CG-CD1 4.35Å; D58-I62 WeakPolarHBondContact O-CD1 3.41Å; D58-I62 WeakPolarHBondContact O-CG1 3.38Å; D58-I62 PolarHBondContact O-N 3.19Å; A59-I62 PolarHBondContact O-N 3.1Å; E60-I62 PolarHBondContact O-N 3.32Å; I62-K64 VanDerWaalsContact C-N 3.33Å; I62-K64 PolarHBondContact O-N 3.3Å; I62-S65 WeakPolarHBondContact O-CB 3.34Å; I62-S65 PolarHBondContact O-N 3.47Å; I62-S65 VanDerWaalsContact O-N 3.13Å; I62-V66 HydrophobicContact CG2-CG2 4.25Å; I62-V66 VanDerWaalsContact O-CG2 3.31Å; I62-V66 WeakPolarHBondContact O-CG2 3.39Å; I62-V66 PolarHBondContact O-N 2.84Å
63K96.5Very high94.5Very high46 Ų4663.3 Ų63.320%0.234%0.341CS..Hα-helixtrans-58.1-45.3177.8-76.3-173.7-174.3-170.80111.7M43 A59 E60 S65 V66 S67 V76 G77 E78 L81M43-K63 HydrophobicContact CG-CD 4.36Å; M43-K63 HydrophobicContact CG-CG 4.28Å; M43-K63 HydrophobicContact SD-CG 4.03Å; A59-K63 WeakPolarHBondContact O-CB 3.34Å; A59-K63 WeakPolarHBondContact O-CG 3.44Å; A59-K63 PolarHBondContact O-N 2.76Å; E60-K63 PolarHBondContact O-N 3.02Å; K63-S65 VanDerWaalsContact C-N 3.31Å; K63-S65 PolarHBondContact O-N 2.98Å; K63-V66 PolarHBondContact O-N 2.67Å; K63-S67 PolarHBondContact O-N 2.78Å; K63-S67 PolarHBondContact O-OG 2.88Å; K63-V76 HydrophobicContact CB-CG1 3.66Å; K63-V76 HydrophobicContact CD-CG1 4.14Å; K63-V76 HydrophobicContact CG-CG1 3.84Å; K63-G77 WeakPolarHBondContact CE-O 3.48Å; K63-G77 PolarHBondContact NZ-O 2.79Å; K63-E78 PolarHBondContact NZ-O 3.46Å; K63-L81 HydrophobicContact CG-CD2 4.47Å
64K95.3Very high94.5Very high134 Ų13460 Ų6058%0.58333%0.328SS*.Hα-helixtrans-63.4-35.1176.4-176.2-180178.3-178.90112.5E60 F61 I62 S67 K68E60-K64 VanDerWaalsContact O-CB 3.3Å; E60-K64 WeakPolarHBondContact O-CB 3.38Å; E60-K64 PolarHBondContact O-N 3.01Å; F61-K64 PolarHBondContact O-N 3.04Å; I62-K64 VanDerWaalsContact C-N 3.33Å; I62-K64 PolarHBondContact O-N 3.3Å; K64-S67 PolarHBondContact O-OG 3.17Å; K64-K68 WeakPolarHBondContact O-CG 3.37Å
65S96.3Very high94.4Very high0 Ų058.3 Ų58.30%031%0.309CS..Hα-helixtrans-67.4-49.8175.4-55.80000110.4E8 I12 F61 I62 K63 S67 K68E8-S65 WeakPolarHBondContact CG-OG 3.39Å; I12-S65 WeakPolarHBondContact CD1-O 3.39Å; I12-S65 VanDerWaalsContact CG1-O 3.28Å; I12-S65 WeakPolarHBondContact CG1-O 3.26Å; F61-S65 WeakPolarHBondContact O-CB 3.49Å; F61-S65 PolarHBondContact O-N 3.45Å; F61-S65 PolarHBondContact O-OG 3.06Å; I62-S65 WeakPolarHBondContact O-CB 3.34Å; I62-S65 PolarHBondContact O-N 3.47Å; I62-S65 VanDerWaalsContact O-N 3.13Å; K63-S65 VanDerWaalsContact C-N 3.31Å; K63-S65 PolarHBondContact O-N 2.98Å; S65-S67 VanDerWaalsContact C-N 3.32Å; S65-S67 PolarHBondContact O-N 3.03Å; S65-K68 WeakPolarHBondContact O-CB 3.39Å; S65-K68 PolarHBondContact O-N 3.06Å; S65-K68 VanDerWaalsContact O-N 3.14Å
66V96.2Very high94.5Very high4 Ų458.7 Ų58.72%0.02431%0.313CS..Hα-helixtrans-64.4-35.7-177.5175.80000111.8I11 V15 I62 K63 K68 S69 I74 V76 L81I11-V66 HydrophobicContact CG2-CG2 4.17Å; V15-V66 HydrophobicContact CB-CG2 4.07Å; V15-V66 HydrophobicContact CG1-CG1 4.26Å; V15-V66 HydrophobicContact CG1-CG2 4.06Å; V15-V66 HydrophobicContact CG2-CG2 3.8Å; I62-V66 HydrophobicContact CG2-CG2 4.25Å; I62-V66 VanDerWaalsContact O-CG2 3.31Å; I62-V66 WeakPolarHBondContact O-CG2 3.39Å; I62-V66 PolarHBondContact O-N 2.84Å; K63-V66 PolarHBondContact O-N 2.67Å; V66-K68 PolarHBondContact O-N 2.89Å; V66-K68 VanDerWaalsContact O-N 3.17Å; V66-S69 WeakPolarHBondContact O-CB 3.4Å; V66-S69 PolarHBondContact O-N 2.77Å; V66-I74 HydrophobicContact CG1-CB 3.94Å; V66-I74 HydrophobicContact CG1-CG1 4.44Å; V66-I74 HydrophobicContact CG1-CG2 3.68Å; V66-V76 HydrophobicContact CB-CG2 4.01Å; V66-V76 HydrophobicContact CG1-CG2 3.68Å; V66-L81 HydrophobicContact CB-CD2 4.5Å; V66-L81 HydrophobicContact CG1-CD2 4.23Å; V66-L81 HydrophobicContact CG2-CD1 4.4Å
67S94.7Very high94.3Very high79 Ų7958.9 Ų58.955%0.55232%0.318SS*.THydrogen-bonded Turntrans-65.9-15.5177.766.90000114K63 K64 S65 S69K63-S67 PolarHBondContact O-N 2.78Å; K63-S67 PolarHBondContact O-OG 2.88Å; K64-S67 PolarHBondContact O-OG 3.17Å; S65-S67 VanDerWaalsContact C-N 3.32Å; S65-S67 PolarHBondContact O-N 3.03Å; S67-S69 VanDerWaalsContact C-N 3.28Å
68K94.9Very high94Very high43 Ų4362.2 Ų62.219%0.18733%0.334CS..THydrogen-bonded Turntrans-79.1-10.2171.2-58.2-178.2173.2-172.40113.1V2 E3 I4 E8 I12 K64 S65 V66V2-K68 HydrophobicContact CG1-CB 4.36Å; V2-K68 HydrophobicContact CG1-CD 3.74Å; V2-K68 HydrophobicContact CG1-CG 3.82Å; E3-K68 PolarHBondContact O-NZ 2.86Å; I4-K68 HydrophobicContact CD1-CB 4.21Å; I4-K68 HydrophobicContact CG1-CB 4.05Å; I4-K68 HydrophobicContact CG1-CD 4.14Å; E8-K68 WeakPolarHBondContact OE1-CE 3.39Å; E8-K68 IonicContact OE1-NZ 2.67Å; E8-K68 PolarHBondContact OE1-NZ 2.78Å; E8-K68 IonicContact OE2-NZ 2.87Å; E8-K68 PolarHBondContact OE2-NZ 3.21Å; I12-K68 HydrophobicContact CD1-CB 4.34Å; K64-K68 WeakPolarHBondContact O-CG 3.37Å; S65-K68 WeakPolarHBondContact O-CB 3.39Å; S65-K68 PolarHBondContact O-N 3.06Å; S65-K68 VanDerWaalsContact O-N 3.14Å; V66-K68 PolarHBondContact O-N 2.89Å; V66-K68 VanDerWaalsContact O-N 3.17Å
69S92Very high93.8Very high29 Ų2965.5 Ų65.520%0.20334%0.344CS..  trans-63.6140.5179.1-179.30000111.6E16 V66 S67 S71E16-S69 PolarHBondContact OE1-OG 3.5Å; V66-S69 WeakPolarHBondContact O-CB 3.4Å; V66-S69 PolarHBondContact O-N 2.77Å; S67-S69 VanDerWaalsContact C-N 3.28Å; S69-S71 PolarHBondContact OG-N 3.17Å; S69-S71 PolarHBondContact OG-OG 3.32Å; S69-S71 VanDerWaalsContact OG-OG 3.11Å
70Q88.8Confident93.7Very high175 Ų17564 Ų6482%0.81833%0.331SS*.SBendtrans-101.6-0.8177.9-62.6-179.8-12.100113G72Q70-G72 PolarHBondContact O-N 2.83Å
71S88.4Confident93.8Very high49 Ų4956.4 Ų56.434%0.34330%0.296SS..SBendtrans-70.7-21.2-178.263.10000113.3E16 S69 L73E16-S71 WeakPolarHBondContact OE1-CB 3.28Å; E16-S71 PolarHBondContact OE1-OG 3.03Å; S69-S71 PolarHBondContact OG-N 3.17Å; S69-S71 PolarHBondContact OG-OG 3.32Å; S69-S71 VanDerWaalsContact OG-OG 3.11Å; S71-L73 PolarHBondContact O-N 2.84Å; S71-L73 VanDerWaalsContact O-N 3.14Å; S71-L73 WeakPolarHBondContact OG-CB 3.24Å; S71-L73 PolarHBondContact OG-N 3.02Å
72G89.1Confident93.7Very high39 Ų3955.2 Ų55.240%0.40229%0.289SS..  trans67.32.9-171.300000113.9Q70 I74 N84 M87Q70-G72 PolarHBondContact O-N 2.83Å; G72-I74 VanDerWaalsContact C-N 3.33Å; G72-I74 PolarHBondContact O-N 3.07Å; G72-N84 VanDerWaalsContact O-CB 3.24Å; G72-N84 WeakPolarHBondContact O-CB 3.48Å; G72-N84 PolarHBondContact O-ND2 3.25Å; G72-N84 VanDerWaalsContact O-ND2 3.1Å; G72-M87 WeakPolarHBondContact O-CE 3.5Å
73L92Very high93.5Very high24 Ų2456.1 Ų56.113%0.12629%0.293CS..  trans-69.9-31.4-173.1-176.664000112.4E16 S71 R83 N84 M87E16-L73 HydrophobicContact CB-CD2 4.29Å; E16-L73 HydrophobicContact CG-CD2 4.38Å; S71-L73 PolarHBondContact O-N 2.84Å; S71-L73 VanDerWaalsContact O-N 3.14Å; S71-L73 WeakPolarHBondContact OG-CB 3.24Å; S71-L73 PolarHBondContact OG-N 3.02Å; L73-R83 HydrophobicContact CD1-CG 4.16Å; L73-R83 CarbonylContact O-C 3.57Å; L73-R83 WeakPolarHBondContact O-CA 3.35Å; L73-N84 PolarHBondContact O-N 2.91Å; L73-M87 HydrophobicContact CB-CE 4.27Å; L73-M87 HydrophobicContact CD1-CE 4.39Å; L73-M87 HydrophobicContact CD1-SD 4.09Å
74I95.3Very high93.4Very high23 Ų2355.2 Ų55.212%0.11829%0.29CS..EExtended strand (participates in β ladder)trans-119.2130.7-170.7-44.7-62.2000110.1V15 E16 F19 V66 G72 L81 R82V15-I74 HydrophobicContact CG1-CD1 4.23Å; V15-I74 HydrophobicContact CG1-CG1 4.08Å; V15-I74 HydrophobicContact CG1-CG2 4.22Å; E16-I74 HydrophobicContact CG-CG1 4.42Å; F19-I74 HydrophobicContact CB-CD1 3.34Å; F19-I74 HydrophobicContact CD2-CD1 3.56Å; F19-I74 HydrophobicContact CE2-CD1 4.46Å; F19-I74 HydrophobicContact CG-CD1 3.58Å; V66-I74 HydrophobicContact CG1-CB 3.94Å; V66-I74 HydrophobicContact CG1-CG1 4.44Å; V66-I74 HydrophobicContact CG1-CG2 3.68Å; G72-I74 VanDerWaalsContact C-N 3.33Å; G72-I74 PolarHBondContact O-N 3.07Å; I74-L81 HydrophobicContact CG2-CB 4.3Å; I74-L81 HydrophobicContact CG2-CD2 4.32Å; I74-R82 CarbonylContact C-O 3.54Å; I74-R82 WeakPolarHBondContact CA-O 3.48Å
75E94.9Very high93Very high59 Ų5952.6 Ų52.628%0.27629%0.287SS..EExtended strand (participates in β ladder)trans-94.3133.5165.8-66.6179.7172.900109.7W40 R82 N84 P85W40-E75 HydrophobicContact CH2-CB 4.14Å; E75-R82 PolarHBondContact N-O 2.83Å; E75-R82 PolarHBondContact O-N 3Å; E75-R82 VanDerWaalsContact O-N 3.07Å; E75-R82 IonicContact OE2-CZ 2.77Å; E75-R82 IonicContact OE2-NE 3.93Å; E75-R82 PolarHBondContact OE2-NE 3.37Å; E75-R82 IonicContact OE2-NH2 3.46Å; E75-R82 PolarHBondContact OE2-NH2 2.91Å; E75-N84 HydrophobicContact CG-CB 4.4Å; E75-P85 WeakPolarHBondContact OE1-CD 3.2Å
76V95.8Very high92.6Very high54 Ų5460.6 Ų60.633%0.32732%0.324SS..EExtended strand (participates in β ladder)trans-106.1122.2175.7-176.60000108.4K63 V66 L81K63-V76 HydrophobicContact CB-CG1 3.66Å; K63-V76 HydrophobicContact CD-CG1 4.14Å; K63-V76 HydrophobicContact CG-CG1 3.84Å; V66-V76 HydrophobicContact CB-CG2 4.01Å; V66-V76 HydrophobicContact CG1-CG2 3.68Å; V76-L81 HydrophobicContact CB-CD2 4.33Å; V76-L81 HydrophobicContact CG1-CD2 4.21Å; V76-L81 HydrophobicContact CG2-CD2 3.87Å
77G93Very high92.2Very high22 Ų2263.6 Ų63.623%0.22734%0.339CS..EExtended strand (participates in β ladder)trans-138178.5-178.800000112.9K63 K79 G80K63-G77 WeakPolarHBondContact CE-O 3.48Å; K63-G77 PolarHBondContact NZ-O 2.79Å; G77-K79 VanDerWaalsContact C-N 3.33Å; G77-K79 PolarHBondContact O-N 3.1Å; G77-G80 PolarHBondContact N-O 3.21Å; G77-G80 PolarHBondContact O-N 3.22Å
78E90.4Very high91.6Very high191 Ų19168.8 Ų68.889%0.89335%0.351SS*.THydrogen-bonded Turntrans-60.3-44.5177.5-66.9-179.8174.400111.2K63 G80K63-E78 PolarHBondContact NZ-O 3.46Å; E78-G80 PolarHBondContact O-N 2.84Å
79K90.9Very high91.1Very high155 Ų15569.9 Ų69.967%0.67436%0.361SS*.THydrogen-bonded Turntrans-69.4-12.2-178.9-63.1-177.4-178.4178.40114.6W40 P42 G77W40-K79 HydrophobicContact CB-CB 4.14Å; W40-K79 HydrophobicContact CD2-CB 4.23Å; W40-K79 HydrophobicContact CE3-CB 4.4Å; W40-K79 HydrophobicContact CG-CB 4.13Å; W40-K79 HydrophobicContact CG-CD 4.47Å; P42-K79 WeakPolarHBondContact CA-O 3.37Å; G77-K79 VanDerWaalsContact C-N 3.33Å; G77-K79 PolarHBondContact O-N 3.1Å
80G94.9Very high90.7Very high0 Ų070 Ų700%036%0.361CS..EExtended strand (participates in β ladder)trans136-136.7179.200000113.2W40 I41 G77 E78W40-G80 WeakPolarHBondContact CZ3-O 3.24Å; I41-G80 WeakPolarHBondContact O-CA 3.24Å; G77-G80 PolarHBondContact N-O 3.21Å; G77-G80 PolarHBondContact O-N 3.22Å; E78-G80 PolarHBondContact O-N 2.84Å
81L96.6Very high90.3Very high0 Ų070.2 Ų70.20%036%0.363CS..EExtended strand (participates in β ladder)trans-117.5141.9179.6-59.4178.3000110.3V15 F19 I41 M43 M46 K63 V66 I74 V76V15-L81 HydrophobicContact CG1-CD1 3.88Å; V15-L81 HydrophobicContact CG2-CD1 4.25Å; F19-L81 HydrophobicContact CE2-CB 4.1Å; F19-L81 HydrophobicContact CZ-CB 4.05Å; I41-L81 PolarHBondContact N-O 3.24Å; I41-L81 PolarHBondContact O-N 2.9Å; M43-L81 HydrophobicContact SD-CD1 4.02Å; M43-L81 HydrophobicContact SD-CD2 4.44Å; M43-L81 HydrophobicContact SD-CG 3.77Å; M46-L81 HydrophobicContact CE-CD1 4.2Å; M46-L81 HydrophobicContact CG-CD1 4.22Å; K63-L81 HydrophobicContact CG-CD2 4.47Å; V66-L81 HydrophobicContact CB-CD2 4.5Å; V66-L81 HydrophobicContact CG1-CD2 4.23Å; V66-L81 HydrophobicContact CG2-CD1 4.4Å; I74-L81 HydrophobicContact CG2-CB 4.3Å; I74-L81 HydrophobicContact CG2-CD2 4.32Å; V76-L81 HydrophobicContact CB-CD2 4.33Å; V76-L81 HydrophobicContact CG1-CD2 4.21Å; V76-L81 HydrophobicContact CG2-CD2 3.87Å
82R94.9Very high90.2Very high33 Ų3370.4 Ų70.413%0.12536%0.362CS..EExtended strand (participates in β ladder)trans-139.3149.8177.3174.416979.1171.54.9110.3D38 G39 W40 I74 E75D38-R82 VanDerWaalsContact CG-NH1 3.33Å; D38-R82 WeakPolarHBondContact O-CD 3.44Å; D38-R82 PolarHBondContact O-NH1 3.14Å; D38-R82 IonicContact OD1-NH1 3.51Å; D38-R82 IonicContact OD2-CZ 3.92Å; D38-R82 IonicContact OD2-NH1 3.85Å; D38-R82 PolarHBondContact OD2-NH1 2.9Å; G39-R82 WeakPolarHBondContact O-CB 3.48Å; G39-R82 VanDerWaalsContact O-CG 3.29Å; G39-R82 WeakPolarHBondContact O-CG 3.3Å; W40-R82 HydrophobicContact CD2-CB 3.83Å; W40-R82 HydrophobicContact CE3-CB 3.67Å; W40-R82 HydrophobicContact CG-CB 4.35Å; W40-R82 HydrophobicContact CH2-CB 4.31Å; W40-R82 HydrophobicContact CZ2-CB 4.46Å; W40-R82 HydrophobicContact CZ3-CB 3.91Å; I74-R82 CarbonylContact C-O 3.54Å; I74-R82 WeakPolarHBondContact CA-O 3.48Å; E75-R82 PolarHBondContact N-O 2.83Å; E75-R82 PolarHBondContact O-N 3Å; E75-R82 VanDerWaalsContact O-N 3.07Å; E75-R82 IonicContact OE2-CZ 2.77Å; E75-R82 IonicContact OE2-NE 3.93Å; E75-R82 PolarHBondContact OE2-NE 3.37Å; E75-R82 IonicContact OE2-NH2 3.46Å; E75-R82 PolarHBondContact OE2-NH2 2.91Å
83R94Very high89.9Confident20 Ų2071.4 Ų71.48%0.07536%0.355CS..EExtended strand (participates in β ladder)trans-73.5133.4166.9176.2172.2171147.9-3.5110.2F19 D21 L24 L73 P85 M87 K88F19-R83 HydrophobicContact CB-CB 4.36Å; F19-R83 HydrophobicContact CD1-CB 3.83Å; F19-R83 HydrophobicContact CG-CB 4.47Å; F19-R83 WeakPolarHBondContact O-CD 3.29Å; F19-R83 PolarHBondContact O-NH1 3.27Å; D21-R83 IonicContact OD1-CZ 2.63Å; D21-R83 IonicContact OD1-NH1 2.67Å; D21-R83 PolarHBondContact OD1-NH1 2.94Å; D21-R83 IonicContact OD1-NH2 3.21Å; D21-R83 PolarHBondContact OD1-NH2 3.31Å; L24-R83 VanDerWaalsContact CD1-CD 3.46Å; L73-R83 HydrophobicContact CD1-CG 4.16Å; L73-R83 CarbonylContact O-C 3.57Å; L73-R83 WeakPolarHBondContact O-CA 3.35Å; R83-P85 WeakPolarHBondContact O-CD 3.42Å; R83-P85 VanDerWaalsContact O-N 3.13Å; R83-M87 PolarHBondContact NE-O 3.11Å; R83-M87 PolarHBondContact NH2-O 3.24Å; R83-M87 VanDerWaalsContact NH2-O 3.11Å; R83-K88 PolarHBondContact NH2-O 2.98Å
84N92.6Very high89.7Confident26 Ų2675.7 Ų75.714%0.13938%0.375CS..  trans-49.8117.9177.1-178.7-15.3000111G72 L73 E75 E86 M87G72-N84 VanDerWaalsContact O-CB 3.24Å; G72-N84 WeakPolarHBondContact O-CB 3.48Å; G72-N84 PolarHBondContact O-ND2 3.25Å; G72-N84 VanDerWaalsContact O-ND2 3.1Å; L73-N84 PolarHBondContact O-N 2.91Å; E75-N84 HydrophobicContact CG-CB 4.4Å; N84-E86 PolarHBondContact O-N 3.3Å; N84-E86 WeakPolarHBondContact OD1-CB 3.37Å; N84-E86 PolarHBondContact OD1-N 2.67Å; N84-M87 HydrophobicContact CB-CE 4.09Å; N84-M87 PolarHBondContact O-N 2.89Å
85P87.9Confident89.3Confident79 Ų7977.5 Ų77.551%0.51339%0.386SS..THydrogen-bonded Turntrans-59.8-24.1-178.8-25.735.7000114.8E75 R83 M87E75-P85 WeakPolarHBondContact OE1-CD 3.2Å; R83-P85 WeakPolarHBondContact O-CD 3.42Å; R83-P85 VanDerWaalsContact O-N 3.13Å; P85-M87 PolarHBondContact O-N 2.87Å
86E88.3Confident88.8Confident169 Ų16974.7 Ų74.779%0.7937%0.373SS*.THydrogen-bonded Turntrans-69.1-25.8176.5-61.1-174.2159.700111.9N84 K88N84-E86 PolarHBondContact O-N 3.3Å; N84-E86 WeakPolarHBondContact OD1-CB 3.37Å; N84-E86 PolarHBondContact OD1-N 2.67Å; E86-K88 PolarHBondContact O-N 3.4Å
87M86.5Confident88.3Confident67 Ų6774.4 Ų74.433%0.3337%0.37SS..SBendtrans-92.587.7177.9-77.7-165.2-103.100112G72 L73 R83 N84 P85 V89G72-M87 WeakPolarHBondContact O-CE 3.5Å; L73-M87 HydrophobicContact CB-CE 4.27Å; L73-M87 HydrophobicContact CD1-CE 4.39Å; L73-M87 HydrophobicContact CD1-SD 4.09Å; R83-M87 PolarHBondContact NE-O 3.11Å; R83-M87 PolarHBondContact NH2-O 3.24Å; R83-M87 VanDerWaalsContact NH2-O 3.11Å; N84-M87 HydrophobicContact CB-CE 4.09Å; N84-M87 PolarHBondContact O-N 2.89Å; P85-M87 PolarHBondContact O-N 2.87Å; M87-V89 PolarHBondContact O-N 2.87Å
88K83.3Confident88Confident187 Ų18778.1 Ų78.181%0.81339%0.385SS*.PPolyproline II helixtrans-49.1131.2178.5-64.7-174.8179.9-178.50112.1R83 E86R83-K88 PolarHBondContact NH2-O 2.98Å; E86-K88 PolarHBondContact O-N 3.4Å
89V83Confident87.9Confident66 Ų6673.2 Ų73.240%0.437%0.371SS..PPolyproline II helixtrans-76.1133.6173.9-174.50000108.5L24 M87 E91L24-V89 HydrophobicContact CB-CG1 4.11Å; L24-V89 HydrophobicContact CD1-CG1 4.41Å; L24-V89 HydrophobicContact CD1-CG2 4.11Å; M87-V89 PolarHBondContact O-N 2.87Å; V89-E91 PolarHBondContact O-N 3.3Å
90P84Confident87.9Confident31 Ų3168.3 Ų68.320%0.20135%0.349CS..PPolyproline II helixtrans-57139.4172.1-25.635.1000112D21 T92 A96D21-P90 HydrophobicContact CB-CG 3.89Å; D21-P90 WeakPolarHBondContact OD1-CD 3.34Å; P90-T92 VanDerWaalsContact C-N 3.34Å; P90-T92 PolarHBondContact O-N 3.23Å; P90-A96 HydrophobicContact CB-CB 3.82Å; P90-A96 HydrophobicContact CG-CB 3.94Å
91E81.4Confident87.7Confident181 Ų18173.6 Ų73.685%0.84637%0.372SS*.SBendtrans-64.5-37.4-174.5-64.9-179.7178.200112.7V89V89-E91 PolarHBondContact O-N 3.3Å
92T85.1Confident87.6Confident52 Ų5277.9 Ų77.932%0.31939%0.392SS..SBendtrans-131.5163.9-176.877.20000112.4P90 E94 T95 A96P90-T92 VanDerWaalsContact C-N 3.34Å; P90-T92 PolarHBondContact O-N 3.23Å; T92-E94 VanDerWaalsContact C-N 3.31Å; T92-E94 WeakPolarHBondContact CB-OE2 3.22Å; T92-E94 PolarHBondContact OG1-N 3.44Å; T92-E94 PolarHBondContact OG1-OE2 3.4Å; T92-T95 WeakPolarHBondContact CA-OG1 3.42Å; T92-T95 PolarHBondContact N-OG1 2.93Å; T92-T95 PolarHBondContact O-N 3.37Å; T92-T95 PolarHBondContact O-OG1 2.96Å; T92-T95 WeakPolarHBondContact OG1-CG2 2.83Å; T92-T95 PolarHBondContact OG1-N 2.96Å; T92-T95 VanDerWaalsContact OG1-N 3.1Å; T92-T95 PolarHBondContact OG1-OG1 3.28Å; T92-A96 PolarHBondContact O-N 2.99Å; T92-A96 VanDerWaalsContact O-N 3.13Å
93F84.3Confident87.7Confident60 Ų6077 Ų7726%0.26339%0.39SS..Hα-helixtrans-65.7-37.9175.3-178.6-118.2000111.8V22 R26 A96 L97V22-F93 HydrophobicContact CG1-CE2 4.02Å; R26-F93 HydrophobicContact CB-CD2 3.71Å; R26-F93 HydrophobicContact CB-CE2 3.84Å; R26-F93 HydrophobicContact CG-CD2 4.31Å; R26-F93 HydrophobicContact CG-CE2 4.17Å; F93-A96 PolarHBondContact O-N 3.3Å; F93-L97 HydrophobicContact CD1-CD1 3.87Å; F93-L97 HydrophobicContact CD1-CG 4.44Å; F93-L97 HydrophobicContact CD2-CG 4.35Å; F93-L97 HydrophobicContact CE1-CD1 3.26Å; F93-L97 HydrophobicContact CE1-CG 4.05Å; F93-L97 HydrophobicContact CE2-CD1 4.04Å; F93-L97 HydrophobicContact CE2-CD2 4.21Å; F93-L97 HydrophobicContact CE2-CG 3.93Å; F93-L97 HydrophobicContact CG-CD1 4.48Å; F93-L97 HydrophobicContact CZ-CD1 3.37Å; F93-L97 HydrophobicContact CZ-CD2 4.09Å; F93-L97 HydrophobicContact CZ-CG 3.78Å; F93-L97 WeakPolarHBondContact O-CB 3.45Å; F93-L97 WeakPolarHBondContact O-CG 3.16Å; F93-L97 PolarHBondContact O-N 2.89Å
94E86Confident87.9Confident115 Ų11576.1 Ų76.154%0.53739%0.387SS..Hα-helixtrans-65.7-41.8178.8-60.975.3-163.500111.3T92 L97 N98T92-E94 VanDerWaalsContact C-N 3.31Å; T92-E94 WeakPolarHBondContact CB-OE2 3.22Å; T92-E94 PolarHBondContact OG1-N 3.44Å; T92-E94 PolarHBondContact OG1-OE2 3.4Å; E94-L97 PolarHBondContact O-N 3Å; E94-N98 VanDerWaalsContact O-CB 3.22Å; E94-N98 WeakPolarHBondContact O-CB 3.48Å; E94-N98 PolarHBondContact O-N 2.62Å; E94-N98 PolarHBondContact O-ND2 3.38Å
95T87.3Confident88.1Confident60 Ų6074.9 Ų74.937%0.36838%0.38SS..Hα-helixtrans-65.6-43.4177.148.60000111.2T92 N98 S99T92-T95 WeakPolarHBondContact CA-OG1 3.42Å; T92-T95 PolarHBondContact N-OG1 2.93Å; T92-T95 PolarHBondContact O-N 3.37Å; T92-T95 PolarHBondContact O-OG1 2.96Å; T92-T95 WeakPolarHBondContact OG1-CG2 2.83Å; T92-T95 PolarHBondContact OG1-N 2.96Å; T92-T95 VanDerWaalsContact OG1-N 3.1Å; T92-T95 PolarHBondContact OG1-OG1 3.28Å; T95-N98 PolarHBondContact O-N 3.22Å; T95-S99 PolarHBondContact O-N 3.11Å; T95-S99 PolarHBondContact O-OG 2.92Å
96A84.3Confident88.6Confident0 Ų071.6 Ų71.60%036%0.358CS..Hα-helixtrans-58.4-49.3173.400000112.2D21 S25 P90 T92 F93 N98 S99 Y100D21-A96 HydrophobicContact CB-CB 4.47Å; S25-A96 VanDerWaalsContact OG-CB 3.26Å; S25-A96 WeakPolarHBondContact OG-CB 3.04Å; P90-A96 HydrophobicContact CB-CB 3.82Å; P90-A96 HydrophobicContact CG-CB 3.94Å; T92-A96 PolarHBondContact O-N 2.99Å; T92-A96 VanDerWaalsContact O-N 3.13Å; F93-A96 PolarHBondContact O-N 3.3Å; A96-N98 VanDerWaalsContact C-N 3.34Å; A96-N98 PolarHBondContact O-N 2.73Å; A96-S99 PolarHBondContact O-N 3.01Å; A96-Y100 WeakPolarHBondContact O-CD2 3.11Å
97L85Confident89.1Confident48 Ų4863.5 Ų63.525%0.25132%0.32SS..Hα-helixtrans-64.6-37.9178.8-76.5-176.7000112.6V22 F93 E94 S99 Y100 K101 I151V22-L97 HydrophobicContact CG1-CD2 4.06Å; F93-L97 HydrophobicContact CD1-CD1 3.87Å; F93-L97 HydrophobicContact CD1-CG 4.44Å; F93-L97 HydrophobicContact CD2-CG 4.35Å; F93-L97 HydrophobicContact CE1-CD1 3.26Å; F93-L97 HydrophobicContact CE1-CG 4.05Å; F93-L97 HydrophobicContact CE2-CD1 4.04Å; F93-L97 HydrophobicContact CE2-CD2 4.21Å; F93-L97 HydrophobicContact CE2-CG 3.93Å; F93-L97 HydrophobicContact CG-CD1 4.48Å; F93-L97 HydrophobicContact CZ-CD1 3.37Å; F93-L97 HydrophobicContact CZ-CD2 4.09Å; F93-L97 HydrophobicContact CZ-CG 3.78Å; F93-L97 WeakPolarHBondContact O-CB 3.45Å; F93-L97 WeakPolarHBondContact O-CG 3.16Å; F93-L97 PolarHBondContact O-N 2.89Å; E94-L97 PolarHBondContact O-N 3Å; L97-S99 VanDerWaalsContact C-N 3.28Å; L97-S99 PolarHBondContact O-N 2.76Å; L97-Y100 CarbonylContact O-C 3.51Å; L97-Y100 PolarHBondContact O-N 3.14Å; L97-Y100 VanDerWaalsContact O-N 3.09Å; L97-K101 PolarHBondContact O-N 2.76Å; L97-I151 HydrophobicContact CD2-CD1 3.5Å; L97-I151 VanDerWaalsContact CD2-CD1 3.5Å
98N87.7Confident89.7Confident101 Ų10165 Ų6554%0.5432%0.324SS..Hα-helixtrans-63.9-33.4-179.2-81.6-23.9000112.6E94 T95 A96 Y100 K101E94-N98 VanDerWaalsContact O-CB 3.22Å; E94-N98 WeakPolarHBondContact O-CB 3.48Å; E94-N98 PolarHBondContact O-N 2.62Å; E94-N98 PolarHBondContact O-ND2 3.38Å; T95-N98 PolarHBondContact O-N 3.22Å; A96-N98 VanDerWaalsContact C-N 3.34Å; A96-N98 PolarHBondContact O-N 2.73Å; N98-Y100 PolarHBondContact O-N 2.75Å; N98-K101 WeakPolarHBondContact O-CG 3.48Å; N98-K101 PolarHBondContact O-N 3.06Å
99S87.4Confident90.4Very high88 Ų8857.4 Ų57.462%0.61530%0.3SS*.Hα-helixtrans-60.7-27.6174.4-60.50000113T95 A96 L97T95-S99 PolarHBondContact O-N 3.11Å; T95-S99 PolarHBondContact O-OG 2.92Å; A96-S99 PolarHBondContact O-N 3.01Å; L97-S99 VanDerWaalsContact C-N 3.28Å; L97-S99 PolarHBondContact O-N 2.76Å
100Y90.5Very high91.1Very high51 Ų5154.8 Ų54.820%0.228%0.283CS..THydrogen-bonded Turntrans-115.816.9-178.6-50.4-72.2000112.9D21 V22 A96 L97 N98 E102 N103 G104 L131 I151D21-Y100 HydrophobicContact CB-CE2 4.14Å; D21-Y100 PolarHBondContact OD2-OH 3.09Å; V22-Y100 HydrophobicContact CG2-CD2 4.15Å; V22-Y100 HydrophobicContact CG2-CE2 4.35Å; A96-Y100 WeakPolarHBondContact O-CD2 3.11Å; L97-Y100 CarbonylContact O-C 3.51Å; L97-Y100 PolarHBondContact O-N 3.14Å; L97-Y100 VanDerWaalsContact O-N 3.09Å; N98-Y100 PolarHBondContact O-N 2.75Å; Y100-E102 PolarHBondContact O-N 2.67Å; Y100-E102 VanDerWaalsContact O-N 3.14Å; Y100-N103 WeakPolarHBondContact O-CB 2.96Å; Y100-N103 PolarHBondContact O-N 2.78Å; Y100-G104 PolarHBondContact O-N 3.43Å; Y100-L131 HydrophobicContact CD1-CD1 3.64Å; Y100-L131 HydrophobicContact CD2-CD1 4.34Å; Y100-L131 HydrophobicContact CE1-CD1 3.49Å; Y100-L131 VanDerWaalsContact CE1-CD1 3.49Å; Y100-L131 HydrophobicContact CE2-CD1 4.24Å; Y100-L131 HydrophobicContact CG-CD1 4.07Å; Y100-I151 VanDerWaalsContact CB-CG2 3.47Å; Y100-I151 HydrophobicContact CG-CG2 4.1Å
101K90.8Very high91.7Very high111 Ų11154.3 Ų54.348%0.48328%0.28SS..THydrogen-bonded Turntrans-58.5-32-172.771.2-174180-179.90113.4L97 N98 N103L97-K101 PolarHBondContact O-N 2.76Å; N98-K101 WeakPolarHBondContact O-CG 3.48Å; N98-K101 PolarHBondContact O-N 3.06Å; K101-N103 VanDerWaalsContact C-N 3.34Å
102E95.2Very high92.3Very high90 Ų9050.1 Ų50.142%0.42127%0.269SS..THydrogen-bonded Turntrans-83.9-12.1179.7-57.8-167.517800112.6Y100 K155 S158Y100-E102 PolarHBondContact O-N 2.67Å; Y100-E102 VanDerWaalsContact O-N 3.14Å; E102-K155 HydrophobicContact CB-CD 4.03Å; E102-K155 HydrophobicContact CB-CG 4.28Å; E102-K155 WeakPolarHBondContact OE2-CD 3.45Å; E102-K155 WeakPolarHBondContact OE2-CE 3.38Å; E102-K155 IonicContact OE2-NZ 3.33Å; E102-K155 PolarHBondContact OE2-NZ 2.79Å; E102-S158 PolarHBondContact O-OG 3.04Å
103N97.2Very high92.8Very high16 Ų1653 Ų539%0.08628%0.282CS..SBendtrans-95.1-4.3179.9-516000111.9Y100 K101 I151 F152 E153 K155 S158Y100-N103 WeakPolarHBondContact O-CB 2.96Å; Y100-N103 PolarHBondContact O-N 2.78Å; K101-N103 VanDerWaalsContact C-N 3.34Å; N103-I151 HydrophobicContact CB-CG2 4.32Å; N103-F152 WeakPolarHBondContact CB-O 3.37Å; N103-F152 PolarHBondContact ND2-O 3.02Å; N103-F152 PolarHBondContact O-N 3.37Å; N103-F152 VanDerWaalsContact O-N 3.08Å; N103-E153 PolarHBondContact ND2-O 2.98Å; N103-K155 WeakPolarHBondContact OD1-CA 3.22Å; N103-K155 WeakPolarHBondContact OD1-CB 3.5Å; N103-K155 PolarHBondContact OD1-N 3.44Å; N103-S158 WeakPolarHBondContact O-CB 2.97Å
104G97.1Very high93.3Very high1 Ų150.9 Ų50.91%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-82.4132.4-175.800000112.5Y100 A150 Q180Y100-G104 PolarHBondContact O-N 3.43Å; G104-A150 CarbonylContact C-O 3.55Å; G104-A150 WeakPolarHBondContact CA-O 3.29Å; G104-Q180 WeakPolarHBondContact O-CB 3.25Å; G104-Q180 PolarHBondContact O-N 2.95Å
105V98.4Very high93.8Very high0 Ų050.6 Ų50.60%027%0.272CS..EExtended strand (participates in β ladder)trans-120.4150.6172.7-580000111.7V107 F149 A150 F152 F161 L162 S178V105-V107 HydrophobicContact CG2-CG2 4.12Å; V105-F149 WeakPolarHBondContact O-CA 3.37Å; V105-A150 HydrophobicContact CG2-CB 3.89Å; V105-A150 PolarHBondContact N-O 2.82Å; V105-A150 PolarHBondContact O-N 3.3Å; V105-F152 HydrophobicContact CG1-CD2 4.33Å; V105-F152 HydrophobicContact CG1-CE2 4.1Å; V105-F152 HydrophobicContact CG2-CD2 4.35Å; V105-F152 HydrophobicContact CG2-CE2 3.72Å; V105-F161 HydrophobicContact CG1-CD1 4.41Å; V105-F161 HydrophobicContact CG2-CD1 4.34Å; V105-F161 HydrophobicContact CG2-CE1 4.31Å; V105-L162 HydrophobicContact CG1-CD1 4.12Å; V105-L162 HydrophobicContact CG1-CD2 4.2Å; V105-L162 HydrophobicContact CG1-CG 4.06Å; V105-S178 WeakPolarHBondContact CA-O 3.47Å
106Y98.6Very high94.1Very high9 Ų949.5 Ų49.54%0.03526%0.264CS..EExtended strand (participates in β ladder)trans-106.9131167173.5-105.9000109.6K108 I148 F149 R177 S178 Y183Y106-K108 HydrophobicContact CE1-CB 3.87Å; Y106-K108 WeakPolarHBondContact OH-CB 3.33Å; Y106-K108 WeakPolarHBondContact OH-CD 3.36Å; Y106-I148 WeakPolarHBondContact CD2-O 3.26Å; Y106-F149 AromaticContact CD2-CD1 3.88Å; Y106-F149 HydrophobicContact CD2-CD1 3.88Å; Y106-F149 AromaticContact CD2-CE1 3.5Å; Y106-F149 HydrophobicContact CD2-CE1 3.5Å; Y106-F149 VanDerWaalsContact CD2-CE1 3.5Å; Y106-F149 HydrophobicContact CD2-CZ 4.07Å; Y106-F149 HydrophobicContact CE2-CE1 4.39Å; Y106-F149 HydrophobicContact CG-CD1 4.5Å; Y106-F149 HydrophobicContact CG-CE1 4.15Å; Y106-R177 WeakPolarHBondContact O-CA 3.25Å; Y106-S178 PolarHBondContact N-O 3.31Å; Y106-S178 PolarHBondContact O-N 3.4Å; Y106-Y183 AromaticContact CD1-CD2 3.43Å; Y106-Y183 HydrophobicContact CD1-CD2 3.43Å; Y106-Y183 VanDerWaalsContact CD1-CD2 3.43Å; Y106-Y183 HydrophobicContact CD1-CE2 4.04Å; Y106-Y183 HydrophobicContact CD1-CG 4.24Å; Y106-Y183 AromaticContact CD2-CD2 3.68Å; Y106-Y183 HydrophobicContact CD2-CD2 3.68Å; Y106-Y183 AromaticContact CD2-CE2 3.86Å; Y106-Y183 HydrophobicContact CD2-CE2 3.86Å; Y106-Y183 HydrophobicContact CD2-CG 4.15Å; Y106-Y183 AromaticContact CE1-CD2 3.6Å; Y106-Y183 HydrophobicContact CE1-CD2 3.6Å; Y106-Y183 AromaticContact CE1-CE2 3.76Å; Y106-Y183 HydrophobicContact CE1-CE2 3.76Å; Y106-Y183 AromaticContact CE2-CD2 3.87Å; Y106-Y183 HydrophobicContact CE2-CD2 3.87Å; Y106-Y183 AromaticContact CE2-CE2 3.58Å; Y106-Y183 HydrophobicContact CE2-CE2 3.58Å; Y106-Y183 AromaticContact CG-CD2 3.43Å; Y106-Y183 HydrophobicContact CG-CD2 3.43Å; Y106-Y183 VanDerWaalsContact CG-CD2 3.43Å; Y106-Y183 HydrophobicContact CG-CE2 4.06Å; Y106-Y183 AromaticContact CG-CG 3.88Å; Y106-Y183 HydrophobicContact CG-CG 3.88Å; Y106-Y183 AromaticContact CZ-CD2 3.8Å; Y106-Y183 AromaticContact CZ-CE2 3.5Å
107V98.6Very high94.5Very high0 Ų052.5 Ų52.50%028%0.28CS..EExtended strand (participates in β ladder)trans-132.5133.8177.3-172.90000110.4V105 F110 W122 S147 I148 F161 M175 I176 R177V105-V107 HydrophobicContact CG2-CG2 4.12Å; V107-F110 HydrophobicContact CB-CE2 3.94Å; V107-F110 HydrophobicContact CB-CZ 4.37Å; V107-F110 HydrophobicContact CG1-CE2 3.56Å; V107-F110 HydrophobicContact CG1-CZ 3.75Å; V107-W122 HydrophobicContact CG1-CH2 4.03Å; V107-W122 HydrophobicContact CG1-CZ3 4.11Å; V107-S147 CarbonylContact O-C 3.55Å; V107-S147 WeakPolarHBondContact O-CA 3.47Å; V107-S147 WeakPolarHBondContact O-CB 3.45Å; V107-I148 HydrophobicContact CB-CD1 4.24Å; V107-I148 HydrophobicContact CB-CG1 3.93Å; V107-I148 HydrophobicContact CG2-CG1 4.5Å; V107-I148 PolarHBondContact N-O 3.16Å; V107-I148 PolarHBondContact O-N 2.67Å; V107-F161 HydrophobicContact CG2-CE1 3.67Å; V107-F161 HydrophobicContact CG2-CZ 3.9Å; V107-M175 HydrophobicContact CG1-CB 4.37Å; V107-M175 HydrophobicContact CG1-CE 3.55Å; V107-I176 CarbonylContact C-O 3.59Å; V107-I176 WeakPolarHBondContact CA-O 3.48Å; V107-R177 HydrophobicContact CG1-CG 4.06Å; V107-R177 HydrophobicContact CG2-CG 4.27Å
108K98.3Very high95.1Very high97 Ų9753.8 Ų53.842%0.42228%0.284SS..EExtended strand (participates in β ladder)trans-138.1141.5178.3177.2-178.9178.7-169.20111.1Y106 G146 I176Y106-K108 HydrophobicContact CE1-CB 3.87Å; Y106-K108 WeakPolarHBondContact OH-CB 3.33Å; Y106-K108 WeakPolarHBondContact OH-CD 3.36Å; K108-G146 WeakPolarHBondContact CA-O 3.47Å; K108-I176 HydrophobicContact CB-CB 4.29Å; K108-I176 HydrophobicContact CD-CD1 4.44Å; K108-I176 PolarHBondContact N-O 3.44Å; K108-I176 PolarHBondContact O-N 2.97Å
109G97.3Very high95.5Very high29 Ų2949 Ų4930%0.29926%0.259SS..  trans139.7-8.7179.700000113.2G146G109-G146 PolarHBondContact N-O 3.42Å
110F98.2Very high96Very high10 Ų1045.2 Ų45.24%0.04423%0.231CC..  trans-63.7147179.6-59.8-74.2000112.2V107 E114 I119 W122 F144 G146 I148 F170 M175V107-F110 HydrophobicContact CB-CE2 3.94Å; V107-F110 HydrophobicContact CB-CZ 4.37Å; V107-F110 HydrophobicContact CG1-CE2 3.56Å; V107-F110 HydrophobicContact CG1-CZ 3.75Å; F110-E114 HydrophobicContact CB-CB 4.35Å; F110-E114 HydrophobicContact CB-CG 3.94Å; F110-E114 HydrophobicContact CD1-CG 4.39Å; F110-I119 HydrophobicContact CD1-CD1 4Å; F110-I119 HydrophobicContact CD1-CG1 3.9Å; F110-I119 HydrophobicContact CE1-CD1 4.19Å; F110-I119 HydrophobicContact CE1-CG1 3.75Å; F110-I119 HydrophobicContact CE1-CG2 4.22Å; F110-I119 HydrophobicContact CG-CD1 4.18Å; F110-I119 HydrophobicContact CZ-CG1 4.29Å; F110-I119 HydrophobicContact CZ-CG2 3.99Å; F110-W122 HydrophobicContact CE1-CE3 4.27Å; F110-W122 HydrophobicContact CE1-CZ3 4.12Å; F110-W122 HydrophobicContact CZ-CE3 4.17Å; F110-W122 HydrophobicContact CZ-CH2 4.39Å; F110-W122 AromaticContact CZ-CZ3 3.69Å; F110-W122 HydrophobicContact CZ-CZ3 3.69Å; F110-F144 HydrophobicContact CB-CE1 3.48Å; F110-F144 VanDerWaalsContact CB-CE1 3.48Å; F110-F144 HydrophobicContact CB-CZ 3.82Å; F110-F144 HydrophobicContact CD2-CZ 4.06Å; F110-F144 HydrophobicContact CG-CE1 4.23Å; F110-F144 HydrophobicContact CG-CZ 4.18Å; F110-G146 PolarHBondContact N-O 3.08Å; F110-G146 WeakPolarHBondContact O-CA 3.39Å; F110-I148 HydrophobicContact CD2-CG2 4.19Å; F110-I148 HydrophobicContact CE2-CD1 3.64Å; F110-I148 HydrophobicContact CE2-CG1 3.86Å; F110-I148 HydrophobicContact CE2-CG2 4.03Å; F110-I148 HydrophobicContact CZ-CD1 3.83Å; F110-F170 AromaticContact CD1-CD1 3.78Å; F110-F170 HydrophobicContact CD1-CD1 3.78Å; F110-F170 AromaticContact CD1-CE1 3.95Å; F110-F170 HydrophobicContact CD1-CE1 3.95Å; F110-F170 HydrophobicContact CD1-CG 4.25Å; F110-F170 AromaticContact CE1-CD1 4Å; F110-F170 HydrophobicContact CE1-CD1 4Å; F110-F170 HydrophobicContact CE1-CD2 4.29Å; F110-F170 HydrophobicContact CE1-CE1 4.25Å; F110-F170 HydrophobicContact CE1-CG 4Å; F110-M175 HydrophobicContact CD1-CE 3.73Å; F110-M175 HydrophobicContact CD2-CE 3.71Å; F110-M175 HydrophobicContact CE1-CE 3.58Å; F110-M175 HydrophobicContact CE2-CE 3.57Å; F110-M175 HydrophobicContact CG-CE 3.79Å; F110-M175 HydrophobicContact CZ-CE 3.51Å
111S96.2Very high96.2Very high21 Ų2147.6 Ų47.615%0.14724%0.244CC..  trans-64.6150170.9-154.70000111.3D113 E114 F144S111-D113 WeakPolarHBondContact CB-OD1 3.44Å; S111-D113 PolarHBondContact O-N 2.87Å; S111-D113 VanDerWaalsContact O-N 3.16Å; S111-D113 PolarHBondContact OG-OD1 2.85Å; S111-E114 VanDerWaalsContact N-CG 3.33Å; S111-E114 WeakPolarHBondContact O-CG 3.33Å; S111-E114 PolarHBondContact O-N 3.23Å; S111-F144 VanDerWaalsContact O-CD1 3.24Å; S111-F144 WeakPolarHBondContact O-CD1 3.42Å; S111-F144 WeakPolarHBondContact O-CE1 3.38Å
112P94.5Very high96.6Very high93 Ų9343.3 Ų43.360%0.60423%0.225SC*.THydrogen-bonded Turntrans-61.9-18.5178.4-24.335.4000115.1F144P112-F144 WeakPolarHBondContact O-CB 3.37Å
113D95.3Very high96.7Very high112 Ų11239 Ų3960%0.59921%0.205SC*.THydrogen-bonded Turntrans-101.82.9-179.859.6-39.1000113.7S111 Q115S111-D113 WeakPolarHBondContact CB-OD1 3.44Å; S111-D113 PolarHBondContact O-N 2.87Å; S111-D113 VanDerWaalsContact O-N 3.16Å; S111-D113 PolarHBondContact OG-OD1 2.85Å; D113-Q115 PolarHBondContact O-NE2 2.81Å
114E96.3Very high96.7Very high16 Ų1641 Ų418%0.07521%0.214CC..  trans-62141.7178.1-67.5-59.3171.700112.5F110 S111 I119 M135 F144 F170 K171F110-E114 HydrophobicContact CB-CB 4.35Å; F110-E114 HydrophobicContact CB-CG 3.94Å; F110-E114 HydrophobicContact CD1-CG 4.39Å; S111-E114 VanDerWaalsContact N-CG 3.33Å; S111-E114 WeakPolarHBondContact O-CG 3.33Å; S111-E114 PolarHBondContact O-N 3.23Å; E114-I119 HydrophobicContact CB-CD1 4.1Å; E114-M135 WeakPolarHBondContact O-CE 3.35Å; E114-F144 HydrophobicContact CB-CE1 4.16Å; E114-F170 HydrophobicContact CG-CE1 4.14Å; E114-K171 IonicContact OE1-NZ 2.76Å; E114-K171 IonicContact OE2-NZ 2.84Å; E114-K171 PolarHBondContact OE2-NZ 3.14Å
115Q94.7Very high96.6Very high110 Ų11048.3 Ų48.351%0.51425%0.245SC..  trans-92144.2-178.8-59.1-54.7-5500111.5D113 D117 E118 I119D113-Q115 PolarHBondContact O-NE2 2.81Å; Q115-D117 VanDerWaalsContact C-N 3.3Å; Q115-D117 PolarHBondContact O-N 2.81Å; Q115-E118 HydrophobicContact CB-CG 4.28Å; Q115-E118 PolarHBondContact O-N 3.08Å; Q115-I119 WeakPolarHBondContact O-CG1 3.06Å; Q115-I119 PolarHBondContact O-N 3.2Å
116L94.5Very high96.6Very high37 Ų3749 Ų4919%0.19425%0.249CC..Hα-helixtrans-59.3-41.8-178.6177.456.4000112I119 I120 V133 M135L116-I119 WeakPolarHBondContact O-CB 3.36Å; L116-I119 PolarHBondContact O-N 2.84Å; L116-I120 HydrophobicContact CD1-CD1 3.84Å; L116-I120 HydrophobicContact CD1-CG1 4.13Å; L116-I120 HydrophobicContact CD2-CD1 4.39Å; L116-I120 HydrophobicContact CG-CD1 3.66Å; L116-I120 HydrophobicContact CG-CG1 4.41Å; L116-I120 WeakPolarHBondContact O-CD1 3.43Å; L116-I120 VanDerWaalsContact O-CG1 3.3Å; L116-I120 WeakPolarHBondContact O-CG1 3.33Å; L116-I120 PolarHBondContact O-N 3.24Å; L116-V133 HydrophobicContact CD1-CB 4.01Å; L116-V133 HydrophobicContact CD1-CG1 3.71Å; L116-M135 HydrophobicContact CB-SD 3.75Å; L116-M135 HydrophobicContact CD1-CG 3.96Å; L116-M135 HydrophobicContact CD1-SD 4Å; L116-M135 HydrophobicContact CG-SD 4.35Å
117D93.7Very high96.4Very high63 Ų6348.7 Ų48.734%0.33725%0.248SC..Hα-helixtrans-65.4-40.6-176.7-68-67000112.2R51 Q115 I119 I120 E121R51-D117 IonicContact CZ-OD1 3.3Å; R51-D117 IonicContact CZ-OD2 3.03Å; R51-D117 IonicContact NH1-OD1 3.32Å; R51-D117 IonicContact NH1-OD2 3.01Å; R51-D117 PolarHBondContact NH1-OD2 2.86Å; R51-D117 IonicContact NH2-OD1 3.64Å; R51-D117 PolarHBondContact NH2-OD1 2.97Å; R51-D117 IonicContact NH2-OD2 3.73Å; R51-D117 PolarHBondContact NH2-OD2 3.4Å; Q115-D117 VanDerWaalsContact C-N 3.3Å; Q115-D117 PolarHBondContact O-N 2.81Å; D117-I119 VanDerWaalsContact C-N 3.32Å; D117-I119 PolarHBondContact O-N 3.24Å; D117-I120 PolarHBondContact O-N 3.4Å; D117-E121 WeakPolarHBondContact O-CB 3.35Å; D117-E121 WeakPolarHBondContact O-CG 3.44Å; D117-E121 PolarHBondContact O-N 3.02Å
118E95.7Very high96.3Very high74 Ų7449.3 Ų49.335%0.34625%0.254SS..Hα-helixtrans-65.1-37.5175-62179-144.800112Q115 W122 K171Q115-E118 HydrophobicContact CB-CG 4.28Å; Q115-E118 PolarHBondContact O-N 3.08Å; E118-W122 WeakPolarHBondContact O-CB 3.2Å; E118-W122 PolarHBondContact O-N 3.05Å; E118-K171 VanDerWaalsContact OE2-CE 3.22Å; E118-K171 WeakPolarHBondContact OE2-CE 3.37Å; E118-K171 IonicContact OE2-NZ 2.95Å; E118-K171 PolarHBondContact OE2-NZ 3.38Å
119I97.8Very high96.1Very high0 Ų048.1 Ų48.10%025%0.249CC..Hα-helixtrans-65.7-43.6175.7-67.4171.9000110.4F110 E114 Q115 L116 D117 W122 L123 V133 M135 F144 I148F110-I119 HydrophobicContact CD1-CD1 4Å; F110-I119 HydrophobicContact CD1-CG1 3.9Å; F110-I119 HydrophobicContact CE1-CD1 4.19Å; F110-I119 HydrophobicContact CE1-CG1 3.75Å; F110-I119 HydrophobicContact CE1-CG2 4.22Å; F110-I119 HydrophobicContact CG-CD1 4.18Å; F110-I119 HydrophobicContact CZ-CG1 4.29Å; F110-I119 HydrophobicContact CZ-CG2 3.99Å; E114-I119 HydrophobicContact CB-CD1 4.1Å; Q115-I119 WeakPolarHBondContact O-CG1 3.06Å; Q115-I119 PolarHBondContact O-N 3.2Å; L116-I119 WeakPolarHBondContact O-CB 3.36Å; L116-I119 PolarHBondContact O-N 2.84Å; D117-I119 VanDerWaalsContact C-N 3.32Å; D117-I119 PolarHBondContact O-N 3.24Å; I119-W122 PolarHBondContact O-N 3.5Å; I119-L123 HydrophobicContact CG2-CD1 3.9Å; I119-L123 HydrophobicContact CG2-CG 4.36Å; I119-L123 WeakPolarHBondContact O-CB 3.34Å; I119-L123 VanDerWaalsContact O-CG 3.24Å; I119-L123 WeakPolarHBondContact O-CG 3.41Å; I119-L123 PolarHBondContact O-N 2.99Å; I119-V133 HydrophobicContact CG2-CG1 4.25Å; I119-M135 HydrophobicContact CD1-CE 3.86Å; I119-F144 HydrophobicContact CD1-CE1 4.24Å; I119-F144 HydrophobicContact CD1-CZ 4.17Å; I119-I148 HydrophobicContact CD1-CG2 4.36Å; I119-I148 HydrophobicContact CG2-CD1 3.45Å; I119-I148 VanDerWaalsContact CG2-CD1 3.45Å
120I96.6Very high96Very high9 Ų947 Ų475%0.04624%0.237CC..Hα-helixtrans-61.6-51177.1-73.3160.6000110.4R13 L116 D117 W122 L123 E124 V133R13-I120 VanDerWaalsContact NH2-CG2 3.29Å; L116-I120 HydrophobicContact CD1-CD1 3.84Å; L116-I120 HydrophobicContact CD1-CG1 4.13Å; L116-I120 HydrophobicContact CD2-CD1 4.39Å; L116-I120 HydrophobicContact CG-CD1 3.66Å; L116-I120 HydrophobicContact CG-CG1 4.41Å; L116-I120 WeakPolarHBondContact O-CD1 3.43Å; L116-I120 VanDerWaalsContact O-CG1 3.3Å; L116-I120 WeakPolarHBondContact O-CG1 3.33Å; L116-I120 PolarHBondContact O-N 3.24Å; D117-I120 PolarHBondContact O-N 3.4Å; I120-W122 PolarHBondContact O-N 3.02Å; I120-L123 PolarHBondContact O-N 2.95Å; I120-L123 VanDerWaalsContact O-N 3.14Å; I120-E124 HydrophobicContact CG2-CG 4.29Å; I120-E124 WeakPolarHBondContact O-CB 3.33Å; I120-E124 WeakPolarHBondContact O-CG 3.38Å; I120-E124 PolarHBondContact O-N 3.29Å; I120-V133 HydrophobicContact CG1-CB 4.29Å; I120-V133 HydrophobicContact CG1-CG2 3.92Å
121E95.9Very high95.8Very high101 Ų10148.9 Ų48.947%0.47225%0.247SC..Hα-helixtrans-57.8-39.6-179.8-73.3175.8-175.100110.9K10 D117 K125K10-E121 IonicContact NZ-OE1 3.75Å; K10-E121 PolarHBondContact NZ-OE1 3.49Å; D117-E121 WeakPolarHBondContact O-CB 3.35Å; D117-E121 WeakPolarHBondContact O-CG 3.44Å; D117-E121 PolarHBondContact O-N 3.02Å; E121-K125 WeakPolarHBondContact O-CB 3.38Å; E121-K125 PolarHBondContact O-N 3.34Å
122W97.7Very high95.7Very high21 Ų2148.1 Ų48.18%0.0824%0.241CC..Hα-helixtrans-68.5-43.4174.8174.678.2000113.9V107 F110 E118 I119 I120 E124 K125 H126 F161 A167 F170 M175V107-W122 HydrophobicContact CG1-CH2 4.03Å; V107-W122 HydrophobicContact CG1-CZ3 4.11Å; F110-W122 HydrophobicContact CE1-CE3 4.27Å; F110-W122 HydrophobicContact CE1-CZ3 4.12Å; F110-W122 HydrophobicContact CZ-CE3 4.17Å; F110-W122 HydrophobicContact CZ-CH2 4.39Å; F110-W122 AromaticContact CZ-CZ3 3.69Å; F110-W122 HydrophobicContact CZ-CZ3 3.69Å; E118-W122 WeakPolarHBondContact O-CB 3.2Å; E118-W122 PolarHBondContact O-N 3.05Å; I119-W122 PolarHBondContact O-N 3.5Å; I120-W122 PolarHBondContact O-N 3.02Å; W122-E124 VanDerWaalsContact C-N 3.35Å; W122-K125 PolarHBondContact O-N 3.2Å; W122-H126 AromaticContact CD1-CD2 3.32Å; W122-H126 AromaticContact CD1-NE2 3.46Å; W122-H126 AromaticContact NE1-CD2 3.34Å; W122-H126 PolarHBondContact NE1-CD2 3.36Å; W122-H126 VanDerWaalsContact NE1-CD2 3.34Å; W122-H126 AromaticContact NE1-NE2 3.54Å; W122-H126 PolarHBondContact O-CD2 3.11Å; W122-H126 PolarHBondContact O-N 3.41Å; W122-F161 HydrophobicContact CE3-CE2 4.09Å; W122-F161 HydrophobicContact CE3-CZ 4.33Å; W122-F161 AromaticContact CH2-CE2 3.67Å; W122-F161 HydrophobicContact CH2-CE2 3.67Å; W122-F161 AromaticContact CH2-CZ 3.4Å; W122-F161 HydrophobicContact CH2-CZ 3.4Å; W122-F161 HydrophobicContact CZ2-CE2 4.1Å; W122-F161 HydrophobicContact CZ2-CZ 4.2Å; W122-F161 AromaticContact CZ3-CE2 3.64Å; W122-F161 HydrophobicContact CZ3-CE2 3.64Å; W122-F161 AromaticContact CZ3-CZ 3.45Å; W122-F161 HydrophobicContact CZ3-CZ 3.45Å; W122-F161 VanDerWaalsContact CZ3-CZ 3.45Å; W122-A167 HydrophobicContact CZ2-CB 3.92Å; W122-A167 VanDerWaalsContact CZ2-O 3.24Å; W122-A167 WeakPolarHBondContact CZ2-O 3.45Å; W122-F170 HydrophobicContact CB-CD2 3.95Å; W122-F170 HydrophobicContact CB-CE2 3.69Å; W122-F170 AromaticContact CD1-CD2 3.59Å; W122-F170 AromaticContact CD2-CD2 3.57Å; W122-F170 HydrophobicContact CD2-CD2 3.57Å; W122-F170 HydrophobicContact CD2-CE2 4.18Å; W122-F170 HydrophobicContact CD2-CG 4.47Å; W122-F170 AromaticContact CE2-CD2 3.76Å; W122-F170 HydrophobicContact CE3-CD2 4.23Å; W122-F170 AromaticContact CG-CD2 3.43Å; W122-F170 HydrophobicContact CG-CD2 3.43Å; W122-F170 VanDerWaalsContact CG-CD2 3.43Å; W122-F170 AromaticContact CG-CE2 3.73Å; W122-F170 HydrophobicContact CG-CE2 3.73Å; W122-F170 HydrophobicContact CZ2-CB 4.06Å; W122-F170 HydrophobicContact CZ2-CD2 4.48Å; W122-F170 AromaticContact NE1-CD2 3.77Å; W122-M175 HydrophobicContact CH2-CG 4.21Å; W122-M175 HydrophobicContact CZ2-CG 4.25Å
123L98.2Very high95.7Very high0 Ų044.4 Ų44.40%022%0.217CC..Hα-helixtrans-59.8-47.3175.6-73.7166.5000110.8I119 I120 H126 G127 T130 V133 I148 A150 F152 F161I119-L123 HydrophobicContact CG2-CD1 3.9Å; I119-L123 HydrophobicContact CG2-CG 4.36Å; I119-L123 WeakPolarHBondContact O-CB 3.34Å; I119-L123 VanDerWaalsContact O-CG 3.24Å; I119-L123 WeakPolarHBondContact O-CG 3.41Å; I119-L123 PolarHBondContact O-N 2.99Å; I120-L123 PolarHBondContact O-N 2.95Å; I120-L123 VanDerWaalsContact O-N 3.14Å; L123-H126 PolarHBondContact O-N 3.29Å; L123-G127 PolarHBondContact O-N 3.25Å; L123-T130 HydrophobicContact CB-CG2 3.92Å; L123-T130 HydrophobicContact CD1-CG2 4.31Å; L123-V133 HydrophobicContact CD1-CG1 4.11Å; L123-V133 HydrophobicContact CD1-CG2 3.72Å; L123-I148 HydrophobicContact CD1-CD1 3.91Å; L123-I148 HydrophobicContact CD2-CD1 4.44Å; L123-A150 HydrophobicContact CD1-CB 3.67Å; L123-A150 HydrophobicContact CD2-CB 4.25Å; L123-F152 HydrophobicContact CB-CE1 4.34Å; L123-F152 HydrophobicContact CB-CZ 4.17Å; L123-F152 HydrophobicContact CD2-CZ 4.01Å; L123-F161 HydrophobicContact CD2-CD2 4.29Å; L123-F161 HydrophobicContact CD2-CE1 4.22Å; L123-F161 HydrophobicContact CD2-CE2 3.74Å; L123-F161 HydrophobicContact CD2-CZ 3.69Å
124E96.5Very high95.7Very high59 Ų5943.1 Ų43.128%0.27621%0.207SC..Hα-helixtrans-71.1-32.7-177.4-66-177173.600112.1R13 I120 W122 G128 T130R13-E124 IonicContact CZ-OE1 3.81Å; R13-E124 IonicContact NE-OE1 3.57Å; R13-E124 PolarHBondContact NE-OE1 2.85Å; R13-E124 IonicContact NE-OE2 3.68Å; R13-E124 IonicContact NH2-OE1 3.78Å; I120-E124 HydrophobicContact CG2-CG 4.29Å; I120-E124 WeakPolarHBondContact O-CB 3.33Å; I120-E124 WeakPolarHBondContact O-CG 3.38Å; I120-E124 PolarHBondContact O-N 3.29Å; W122-E124 VanDerWaalsContact C-N 3.35Å; E124-G128 WeakPolarHBondContact CA-O 3.38Å; E124-G128 WeakPolarHBondContact CG-O 3.46Å; E124-T130 HydrophobicContact CG-CG2 3.88Å; E124-T130 PolarHBondContact OE1-N 2.57Å; E124-T130 PolarHBondContact OE1-OG1 2.81Å
125K96.4Very high95.8Very high153 Ų15343.2 Ų43.267%0.66521%0.207SC*.Hα-helixtrans-61.6-41.6173.1-179.8-179.5177.8-175.20112.7E121 W122E121-K125 WeakPolarHBondContact O-CB 3.38Å; E121-K125 PolarHBondContact O-N 3.34Å; W122-K125 PolarHBondContact O-N 3.2Å
126H97.2Very high95.9Very high16 Ų1640.2 Ų40.27%0.07419%0.191CC..Hα-helixtrans-102.1-15.6-171.9-63.4-66.3000114.9W122 L123 F161 E166 A167W122-H126 AromaticContact CD1-CD2 3.32Å; W122-H126 AromaticContact CD1-NE2 3.46Å; W122-H126 AromaticContact NE1-CD2 3.34Å; W122-H126 PolarHBondContact NE1-CD2 3.36Å; W122-H126 VanDerWaalsContact NE1-CD2 3.34Å; W122-H126 AromaticContact NE1-NE2 3.54Å; W122-H126 PolarHBondContact O-CD2 3.11Å; W122-H126 PolarHBondContact O-N 3.41Å; L123-H126 PolarHBondContact O-N 3.29Å; H126-F161 HydrophobicContact CB-CD2 4.02Å; H126-F161 HydrophobicContact CB-CE2 4.49Å; H126-E166 VanDerWaalsContact CE1-CB 3.47Å; H126-E166 WeakPolarHBondContact CE1-CB 3.44Å; H126-E166 IonicContact CE1-OE2 2.78Å; H126-E166 PolarHBondContact CE1-OE2 3.03Å; H126-E166 VanDerWaalsContact CE1-OE2 3.24Å; H126-E166 IonicContact ND1-OE2 3.59Å; H126-E166 PolarHBondContact ND1-OE2 2.95Å; H126-A167 HydrophobicContact CB-CB 3.64Å
127G96Very high96Very high1 Ų144.2 Ų44.21%0.0120%0.204CC..SBendtrans-113.5-93.3172.800000111.1L123 D157 K160L123-G127 PolarHBondContact O-N 3.25Å; G127-D157 WeakPolarHBondContact CA-O 3.41Å; G127-K160 PolarHBondContact O-NZ 2.75Å
128G95.1Very high96.1Very high13 Ų1345.8 Ų45.813%0.13421%0.208CC..  trans-176.6-164.2-179.400000110.4E124 T130 F152E124-G128 WeakPolarHBondContact CA-O 3.38Å; E124-G128 WeakPolarHBondContact CG-O 3.46Å; G128-T130 PolarHBondContact O-N 3.01Å; G128-F152 VanDerWaalsContact O-CD1 3.29Å; G128-F152 WeakPolarHBondContact O-CD1 3.38Å; G128-F152 WeakPolarHBondContact O-CE1 3.06Å
129K94.6Very high96Very high73 Ų7347.5 Ų47.532%0.31723%0.225SC..  trans-58.3134.9-173.6-171.1-179.1-179.7-173.80111.6E16 F152 E153E16-K129 IonicContact OE2-NZ 3.24Å; E16-K129 PolarHBondContact OE2-NZ 3.22Å; K129-F152 WeakPolarHBondContact O-CA 3.46Å; K129-E153 HydrophobicContact CB-CB 4.3Å; K129-E153 WeakPolarHBondContact CD-OE2 3.24Å; K129-E153 PolarHBondContact O-N 2.7Å
130T95.4Very high95.7Very high6 Ų659.1 Ų59.14%0.03727%0.269CS..EExtended strand (participates in β ladder)trans-100.1138.3176.858.50000111.8R13 L123 E124 G128 V133 I151 F152R13-T130 PolarHBondContact NH2-OG1 3.16Å; L123-T130 HydrophobicContact CB-CG2 3.92Å; L123-T130 HydrophobicContact CD1-CG2 4.31Å; E124-T130 HydrophobicContact CG-CG2 3.88Å; E124-T130 PolarHBondContact OE1-N 2.57Å; E124-T130 PolarHBondContact OE1-OG1 2.81Å; G128-T130 PolarHBondContact O-N 3.01Å; T130-V133 HydrophobicContact CG2-CG2 4.34Å; T130-I151 CarbonylContact C-O 3.5Å; T130-F152 HydrophobicContact CG2-CD1 3.85Å; T130-F152 HydrophobicContact CG2-CE1 3.71Å; T130-F152 HydrophobicContact CG2-CZ 4.36Å
131L93Very high95.6Very high48 Ų4862.4 Ų62.425%0.25129%0.287SS..EExtended strand (participates in β ladder)trans-91.1-43.3175.6-65-179.6000112.4Y100 I151 E153Y100-L131 HydrophobicContact CD1-CD1 3.64Å; Y100-L131 HydrophobicContact CD2-CD1 4.34Å; Y100-L131 HydrophobicContact CE1-CD1 3.49Å; Y100-L131 VanDerWaalsContact CE1-CD1 3.49Å; Y100-L131 HydrophobicContact CE2-CD1 4.24Å; Y100-L131 HydrophobicContact CG-CD1 4.07Å; L131-I151 HydrophobicContact CB-CG2 4.33Å; L131-I151 HydrophobicContact CD1-CG2 4.35Å; L131-I151 PolarHBondContact N-O 3.17Å; L131-E153 HydrophobicContact CD2-CB 4.22Å; L131-E153 HydrophobicContact CD2-CG 4.37Å; L131-E153 HydrophobicContact CG-CB 4.21Å
132D94.2Very high95.4Very high6 Ų667 Ų673%0.03230%0.3CS..EExtended strand (participates in β ladder)trans-144.6140178.1-179.183.1000109.5Y17 V22 R26 A150 I151Y17-D132 WeakPolarHBondContact CE2-OD1 3.37Å; V22-D132 HydrophobicContact CB-CB 4.24Å; V22-D132 HydrophobicContact CG1-CB 3.88Å; R26-D132 IonicContact CZ-OD1 3.41Å; R26-D132 IonicContact NH1-OD1 3.97Å; R26-D132 IonicContact NH1-OD2 3.3Å; R26-D132 IonicContact NH2-OD1 2.8Å; R26-D132 PolarHBondContact NH2-OD1 2.84Å; D132-A150 CarbonylContact O-C 3.57Å; D132-A150 WeakPolarHBondContact O-CA 3.13Å; D132-I151 HydrophobicContact CB-CD1 4.38Å; D132-I151 PolarHBondContact O-N 3.06Å
133V96Very high95.3Very high15 Ų1572 Ų729%0.09132%0.322CS..EExtended strand (participates in β ladder)trans-129.2102.2172.3-179.60000108.5L116 I119 I120 L123 T130 I148 F149 A150L116-V133 HydrophobicContact CD1-CB 4.01Å; L116-V133 HydrophobicContact CD1-CG1 3.71Å; I119-V133 HydrophobicContact CG2-CG1 4.25Å; I120-V133 HydrophobicContact CG1-CB 4.29Å; I120-V133 HydrophobicContact CG1-CG2 3.92Å; L123-V133 HydrophobicContact CD1-CG1 4.11Å; L123-V133 HydrophobicContact CD1-CG2 3.72Å; T130-V133 HydrophobicContact CG2-CG2 4.34Å; V133-I148 HydrophobicContact CG1-CD1 4.15Å; V133-F149 CarbonylContact C-O 3.43Å; V133-A150 HydrophobicContact CG2-CB 4.11Å
134H95.2Very high95.2Very high84 Ų8472.2 Ų72.239%0.38932%0.323SS..EExtended strand (participates in β ladder)trans-91.5105.2179.7-179.869.8000111.6R136 I148 F149H134-R136 PolarHBondContact O-N 3.27Å; H134-I148 CarbonylContact O-C 3.51Å; H134-I148 WeakPolarHBondContact O-CA 3.22Å; H134-F149 HydrophobicContact CB-CB 4.42Å; H134-F149 PolarHBondContact N-O 3.47Å; H134-F149 PolarHBondContact O-N 3.02Å
135M97.4Very high95.2Very high18 Ų1874.1 Ų74.19%0.08933%0.328CS..EExtended strand (participates in β ladder)trans-74.3116.1170.5-63.6-177.787.200111.4E114 L116 I119 R137 F144 I148E114-M135 WeakPolarHBondContact O-CE 3.35Å; L116-M135 HydrophobicContact CB-SD 3.75Å; L116-M135 HydrophobicContact CD1-CG 3.96Å; L116-M135 HydrophobicContact CD1-SD 4Å; L116-M135 HydrophobicContact CG-SD 4.35Å; I119-M135 HydrophobicContact CD1-CE 3.86Å; M135-R137 PolarHBondContact O-N 3.31Å; M135-F144 HydrophobicContact CB-CD2 3.97Å; M135-F144 HydrophobicContact CB-CE2 3.88Å; M135-F144 HydrophobicContact CE-CB 4.47Å; M135-F144 HydrophobicContact CE-CD1 3.66Å; M135-F144 HydrophobicContact CE-CD2 3.74Å; M135-F144 HydrophobicContact CE-CE1 3.63Å; M135-F144 HydrophobicContact CE-CE2 3.73Å; M135-F144 HydrophobicContact CE-CG 3.72Å; M135-F144 HydrophobicContact CE-CZ 3.69Å; M135-F144 HydrophobicContact CG-CE2 4.21Å; M135-I148 HydrophobicContact CG-CG2 4.19Å
136R97Very high95.3Very high47 Ų4767.1 Ų67.118%0.17730%0.299CS..EExtended strand (participates in β ladder)trans-76.1124-179.5-57.5174.765.6-149.515.5109.9H134 F144 R145 S147 F149 Y183H134-R136 PolarHBondContact O-N 3.27Å; R136-F144 WeakPolarHBondContact O-CD2 3.34Å; R136-R145 WeakPolarHBondContact O-CB 3.36Å; R136-R145 WeakPolarHBondContact O-CG 3.35Å; R136-R145 PolarHBondContact O-N 3.03Å; R136-S147 WeakPolarHBondContact CB-O 3.39Å; R136-S147 WeakPolarHBondContact CD-OG 3.41Å; R136-S147 WeakPolarHBondContact CG-O 3.18Å; R136-S147 PolarHBondContact N-O 3.43Å; R136-S147 PolarHBondContact NH1-OG 3.13Å; R136-F149 HydrophobicContact CG-CD2 4.13Å; R136-F149 HydrophobicContact CG-CE2 4.18Å; R136-Y183 PolarHBondContact NH1-OH 2.96Å; R136-Y183 PolarHBondContact NH2-OH 3.15Å
137R97.1Very high95.3Very high121 Ų12166.5 Ų66.546%0.45730%0.296SS..EExtended strand (participates in β ladder)trans-116.9155-176.9-69.6171.8-179.8-81.4-2.8112.2M135 R142 K143 R145M135-R137 PolarHBondContact O-N 3.31Å; R137-R142 VanDerWaalsContact CD-O 3.25Å; R137-R142 WeakPolarHBondContact CD-O 3.44Å; R137-R142 WeakPolarHBondContact CG-O 3.45Å; R137-R142 PolarHBondContact NH1-O 3.23Å; R137-K143 CarbonylContact C-O 3.58Å; R137-K143 WeakPolarHBondContact CA-O 3.46Å; R137-K143 WeakPolarHBondContact CB-O 2.94Å; R137-R145 PolarHBondContact O-NE 2.86Å; R137-R145 PolarHBondContact O-NH2 3.44Å; R137-R145 VanDerWaalsContact O-NH2 3.13Å
138F94.8Very high95.4Very high96 Ų9666.4 Ų66.442%0.42130%0.296SS..  trans-71.6139.7172.1-69.8-73.3000109.9R140 D141 R142 K143 R145F138-R140 VanDerWaalsContact C-N 3.26Å; F138-R140 PolarHBondContact O-N 3.41Å; F138-D141 WeakPolarHBondContact CB-OD1 3.47Å; F138-R142 WeakPolarHBondContact O-CA 3.26Å; F138-R142 PolarHBondContact O-N 3.24Å; F138-K143 HydrophobicContact CD2-CB 4.3Å; F138-K143 PolarHBondContact N-O 3.5Å; F138-R145 HydrophobicContact CD1-CG 3.95Å; F138-R145 HydrophobicContact CD2-CG 3.76Å; F138-R145 HydrophobicContact CE1-CG 3.89Å; F138-R145 HydrophobicContact CE2-CB 4.2Å; F138-R145 HydrophobicContact CE2-CG 3.7Å; F138-R145 HydrophobicContact CG-CG 3.89Å; F138-R145 HydrophobicContact CZ-CB 4.26Å; F138-R145 HydrophobicContact CZ-CG 3.77Å
139P93.8Very high95.6Very high110 Ų11066.7 Ų66.771%0.71429%0.293SS*.THydrogen-bonded Turntrans-68.1-28.6-176.1-19.734.5000112.7
140R92.5Very high95.7Very high244 Ų24463.2 Ų63.292%0.92128%0.278SS*.THydrogen-bonded Turntrans-74.6-53.8-174.3-69.4-172.2179.7-166.6-0.6113.2F138F138-R140 VanDerWaalsContact C-N 3.26Å; F138-R140 PolarHBondContact O-N 3.41Å
141D93.2Very high95.8Very high78 Ų7863.2 Ų63.242%0.41728%0.278SS..THydrogen-bonded Turntrans-116.54.6-172.363.31.9000113.4F138 K143F138-D141 WeakPolarHBondContact CB-OD1 3.47Å; D141-K143 HydrophobicContact CB-CG 4.26Å; D141-K143 PolarHBondContact O-N 3.34Å; D141-K143 WeakPolarHBondContact OD1-CB 3.37Å; D141-K143 PolarHBondContact OD1-N 3.4Å; D141-K143 VanDerWaalsContact OD1-N 3.15Å; D141-K143 WeakPolarHBondContact OD2-CD 3.17Å; D141-K143 WeakPolarHBondContact OD2-CE 3.34Å; D141-K143 WeakPolarHBondContact OD2-CG 2.88Å; D141-K143 IonicContact OD2-NZ 2.75Å; D141-K143 PolarHBondContact OD2-NZ 3.38Å
142R92.2Very high96Very high197 Ų19760.9 Ų60.974%0.74327%0.266SS*.  trans54.616.2-178-59.1-173.5175.2-168.3-0.6114.2R137 F138R137-R142 VanDerWaalsContact CD-O 3.25Å; R137-R142 WeakPolarHBondContact CD-O 3.44Å; R137-R142 WeakPolarHBondContact CG-O 3.45Å; R137-R142 PolarHBondContact NH1-O 3.23Å; F138-R142 WeakPolarHBondContact O-CA 3.26Å; F138-R142 PolarHBondContact O-N 3.24Å
143K94.7Very high96Very high127 Ų12764.7 Ų64.755%0.55228%0.283SS*.  trans-67.6147174.8-69.6-176.3-166154.70110.5R137 F138 D141 R145R137-K143 CarbonylContact C-O 3.58Å; R137-K143 WeakPolarHBondContact CA-O 3.46Å; R137-K143 WeakPolarHBondContact CB-O 2.94Å; F138-K143 HydrophobicContact CD2-CB 4.3Å; F138-K143 PolarHBondContact N-O 3.5Å; D141-K143 HydrophobicContact CB-CG 4.26Å; D141-K143 PolarHBondContact O-N 3.34Å; D141-K143 WeakPolarHBondContact OD1-CB 3.37Å; D141-K143 PolarHBondContact OD1-N 3.4Å; D141-K143 VanDerWaalsContact OD1-N 3.15Å; D141-K143 WeakPolarHBondContact OD2-CD 3.17Å; D141-K143 WeakPolarHBondContact OD2-CE 3.34Å; D141-K143 WeakPolarHBondContact OD2-CG 2.88Å; D141-K143 IonicContact OD2-NZ 2.75Å; D141-K143 PolarHBondContact OD2-NZ 3.38Å; K143-R145 PolarHBondContact O-N 3.46Å
144F97.7Very high95.9Very high5 Ų569.6 Ų69.62%0.02230%0.303CS..EExtended strand (participates in β ladder)trans-68.9131179.2178.8-139.4000110.6F110 S111 P112 E114 I119 M135 R136 G146 S147 I148F110-F144 HydrophobicContact CB-CE1 3.48Å; F110-F144 VanDerWaalsContact CB-CE1 3.48Å; F110-F144 HydrophobicContact CB-CZ 3.82Å; F110-F144 HydrophobicContact CD2-CZ 4.06Å; F110-F144 HydrophobicContact CG-CE1 4.23Å; F110-F144 HydrophobicContact CG-CZ 4.18Å; S111-F144 VanDerWaalsContact O-CD1 3.24Å; S111-F144 WeakPolarHBondContact O-CD1 3.42Å; S111-F144 WeakPolarHBondContact O-CE1 3.38Å; P112-F144 WeakPolarHBondContact O-CB 3.37Å; E114-F144 HydrophobicContact CB-CE1 4.16Å; I119-F144 HydrophobicContact CD1-CE1 4.24Å; I119-F144 HydrophobicContact CD1-CZ 4.17Å; M135-F144 HydrophobicContact CB-CD2 3.97Å; M135-F144 HydrophobicContact CB-CE2 3.88Å; M135-F144 HydrophobicContact CE-CB 4.47Å; M135-F144 HydrophobicContact CE-CD1 3.66Å; M135-F144 HydrophobicContact CE-CD2 3.74Å; M135-F144 HydrophobicContact CE-CE1 3.63Å; M135-F144 HydrophobicContact CE-CE2 3.73Å; M135-F144 HydrophobicContact CE-CG 3.72Å; M135-F144 HydrophobicContact CE-CZ 3.69Å; M135-F144 HydrophobicContact CG-CE2 4.21Å; R136-F144 WeakPolarHBondContact O-CD2 3.34Å; F144-G146 PolarHBondContact O-N 2.93Å; F144-S147 VanDerWaalsContact CE2-O 3.26Å; F144-S147 WeakPolarHBondContact CE2-O 3.21Å; F144-I148 HydrophobicContact CE2-CG2 3.88Å; F144-I148 HydrophobicContact CZ-CG2 3.76Å
145R96.4Very high96Very high99 Ų9969 Ų6937%0.37430%0.3SS..EExtended strand (participates in β ladder)trans-78.9-1.7-179.7-60.5-168-168-166.18113.4R136 R137 F138 K143 S147R136-R145 WeakPolarHBondContact O-CB 3.36Å; R136-R145 WeakPolarHBondContact O-CG 3.35Å; R136-R145 PolarHBondContact O-N 3.03Å; R137-R145 PolarHBondContact O-NE 2.86Å; R137-R145 PolarHBondContact O-NH2 3.44Å; R137-R145 VanDerWaalsContact O-NH2 3.13Å; F138-R145 HydrophobicContact CD1-CG 3.95Å; F138-R145 HydrophobicContact CD2-CG 3.76Å; F138-R145 HydrophobicContact CE1-CG 3.89Å; F138-R145 HydrophobicContact CE2-CB 4.2Å; F138-R145 HydrophobicContact CE2-CG 3.7Å; F138-R145 HydrophobicContact CG-CG 3.89Å; F138-R145 HydrophobicContact CZ-CB 4.26Å; F138-R145 HydrophobicContact CZ-CG 3.77Å; K143-R145 PolarHBondContact O-N 3.46Å; R145-S147 VanDerWaalsContact C-N 3.33Å
146G97.5Very high96Very high5 Ų574 Ų745%0.05232%0.323CS..EExtended strand (participates in β ladder)trans73.722.6-172.700000113.9K108 G109 F110 F144K108-G146 WeakPolarHBondContact CA-O 3.47Å; G109-G146 PolarHBondContact N-O 3.42Å; F110-G146 PolarHBondContact N-O 3.08Å; F110-G146 WeakPolarHBondContact O-CA 3.39Å; F144-G146 PolarHBondContact O-N 2.93Å
147S98.2Very high96Very high3 Ų373.1 Ų73.12%0.02132%0.322CS..EExtended strand (participates in β ladder)trans-144.6146.7176.664.90000112.4V107 R136 F144 R145V107-S147 CarbonylContact O-C 3.55Å; V107-S147 WeakPolarHBondContact O-CA 3.47Å; V107-S147 WeakPolarHBondContact O-CB 3.45Å; R136-S147 WeakPolarHBondContact CB-O 3.39Å; R136-S147 WeakPolarHBondContact CD-OG 3.41Å; R136-S147 WeakPolarHBondContact CG-O 3.18Å; R136-S147 PolarHBondContact N-O 3.43Å; R136-S147 PolarHBondContact NH1-OG 3.13Å; F144-S147 VanDerWaalsContact CE2-O 3.26Å; F144-S147 WeakPolarHBondContact CE2-O 3.21Å; R145-S147 VanDerWaalsContact C-N 3.33Å
148I98.5Very high96Very high0 Ų067.5 Ų67.50%030%0.301CS..EExtended strand (participates in β ladder)trans-129161-17771.8-175.7000110.7Y106 V107 F110 I119 L123 V133 H134 M135 F144 A150Y106-I148 WeakPolarHBondContact CD2-O 3.26Å; V107-I148 HydrophobicContact CB-CD1 4.24Å; V107-I148 HydrophobicContact CB-CG1 3.93Å; V107-I148 HydrophobicContact CG2-CG1 4.5Å; V107-I148 PolarHBondContact N-O 3.16Å; V107-I148 PolarHBondContact O-N 2.67Å; F110-I148 HydrophobicContact CD2-CG2 4.19Å; F110-I148 HydrophobicContact CE2-CD1 3.64Å; F110-I148 HydrophobicContact CE2-CG1 3.86Å; F110-I148 HydrophobicContact CE2-CG2 4.03Å; F110-I148 HydrophobicContact CZ-CD1 3.83Å; I119-I148 HydrophobicContact CD1-CG2 4.36Å; I119-I148 HydrophobicContact CG2-CD1 3.45Å; I119-I148 VanDerWaalsContact CG2-CD1 3.45Å; L123-I148 HydrophobicContact CD1-CD1 3.91Å; L123-I148 HydrophobicContact CD2-CD1 4.44Å; V133-I148 HydrophobicContact CG1-CD1 4.15Å; H134-I148 CarbonylContact O-C 3.51Å; H134-I148 WeakPolarHBondContact O-CA 3.22Å; M135-I148 HydrophobicContact CG-CG2 4.19Å; F144-I148 HydrophobicContact CE2-CG2 3.88Å; F144-I148 HydrophobicContact CZ-CG2 3.76Å; I148-A150 HydrophobicContact CD1-CB 4.48Å
149F97.9Very high96.2Very high19 Ų1967.7 Ų67.78%0.08330%0.303CS..EExtended strand (participates in β ladder)trans-108.9138.1151.5-64.1-69.6000107.9V105 Y106 V133 H134 R136 Q180 Y183 W184V105-F149 WeakPolarHBondContact O-CA 3.37Å; Y106-F149 AromaticContact CD2-CD1 3.88Å; Y106-F149 HydrophobicContact CD2-CD1 3.88Å; Y106-F149 AromaticContact CD2-CE1 3.5Å; Y106-F149 HydrophobicContact CD2-CE1 3.5Å; Y106-F149 VanDerWaalsContact CD2-CE1 3.5Å; Y106-F149 HydrophobicContact CD2-CZ 4.07Å; Y106-F149 HydrophobicContact CE2-CE1 4.39Å; Y106-F149 HydrophobicContact CG-CD1 4.5Å; Y106-F149 HydrophobicContact CG-CE1 4.15Å; V133-F149 CarbonylContact C-O 3.43Å; H134-F149 HydrophobicContact CB-CB 4.42Å; H134-F149 PolarHBondContact N-O 3.47Å; H134-F149 PolarHBondContact O-N 3.02Å; R136-F149 HydrophobicContact CG-CD2 4.13Å; R136-F149 HydrophobicContact CG-CE2 4.18Å; F149-Q180 HydrophobicContact CD1-CG 3.78Å; F149-Q180 HydrophobicContact CE1-CG 3.97Å; F149-Y183 AromaticContact CE1-CD1 3.65Å; F149-Y183 HydrophobicContact CE1-CD1 3.65Å; F149-Y183 AromaticContact CE1-CE1 3.95Å; F149-Y183 HydrophobicContact CE1-CE1 3.95Å; F149-Y183 HydrophobicContact CE1-CG 4.04Å; F149-Y183 AromaticContact CZ-CD1 3.7Å; F149-Y183 HydrophobicContact CZ-CD1 3.7Å; F149-Y183 AromaticContact CZ-CE1 3.5Å; F149-Y183 HydrophobicContact CZ-CE1 3.5Å; F149-Y183 VanDerWaalsContact CZ-CE1 3.5Å; F149-Y183 HydrophobicContact CZ-CG 4.43Å; F149-W184 HydrophobicContact CE2-CZ2 4.22Å; F149-W184 HydrophobicContact CZ-CH2 4.46Å; F149-W184 AromaticContact CZ-CZ2 3.91Å; F149-W184 HydrophobicContact CZ-CZ2 3.91Å
150A97.6Very high96.4Very high0 Ų068.2 Ų68.20%029%0.294CS..EExtended strand (participates in β ladder)trans-129.5140.4174.500000109.3G104 V105 L123 D132 V133 I148G104-A150 CarbonylContact C-O 3.55Å; G104-A150 WeakPolarHBondContact CA-O 3.29Å; V105-A150 HydrophobicContact CG2-CB 3.89Å; V105-A150 PolarHBondContact N-O 2.82Å; V105-A150 PolarHBondContact O-N 3.3Å; L123-A150 HydrophobicContact CD1-CB 3.67Å; L123-A150 HydrophobicContact CD2-CB 4.25Å; D132-A150 CarbonylContact O-C 3.57Å; D132-A150 WeakPolarHBondContact O-CA 3.13Å; V133-A150 HydrophobicContact CG2-CB 4.11Å; I148-A150 HydrophobicContact CD1-CB 4.48Å
151I96.5Very high96.7Very high5 Ų556.6 Ų56.63%0.02625%0.25CS..EExtended strand (participates in β ladder)trans-113.5119.3176.6-59.2177.4000106.9V22 L97 Y100 N103 T130 L131 D132V22-I151 HydrophobicContact CG1-CD1 4.47Å; V22-I151 HydrophobicContact CG2-CD1 4.28Å; L97-I151 HydrophobicContact CD2-CD1 3.5Å; L97-I151 VanDerWaalsContact CD2-CD1 3.5Å; Y100-I151 VanDerWaalsContact CB-CG2 3.47Å; Y100-I151 HydrophobicContact CG-CG2 4.1Å; N103-I151 HydrophobicContact CB-CG2 4.32Å; T130-I151 CarbonylContact C-O 3.5Å; L131-I151 HydrophobicContact CB-CG2 4.33Å; L131-I151 HydrophobicContact CD1-CG2 4.35Å; L131-I151 PolarHBondContact N-O 3.17Å; D132-I151 HydrophobicContact CB-CD1 4.38Å; D132-I151 PolarHBondContact O-N 3.06Å
152F97.4Very high96.9Very high0 Ų054.9 Ų54.90%024%0.241CC..EExtended strand (participates in β ladder)trans-82.6157.3171.9-69.5-86.1000111N103 V105 L123 G128 K129 T130 K154 D157 F161N103-F152 WeakPolarHBondContact CB-O 3.37Å; N103-F152 PolarHBondContact ND2-O 3.02Å; N103-F152 PolarHBondContact O-N 3.37Å; N103-F152 VanDerWaalsContact O-N 3.08Å; V105-F152 HydrophobicContact CG1-CD2 4.33Å; V105-F152 HydrophobicContact CG1-CE2 4.1Å; V105-F152 HydrophobicContact CG2-CD2 4.35Å; V105-F152 HydrophobicContact CG2-CE2 3.72Å; L123-F152 HydrophobicContact CB-CE1 4.34Å; L123-F152 HydrophobicContact CB-CZ 4.17Å; L123-F152 HydrophobicContact CD2-CZ 4.01Å; G128-F152 VanDerWaalsContact O-CD1 3.29Å; G128-F152 WeakPolarHBondContact O-CD1 3.38Å; G128-F152 WeakPolarHBondContact O-CE1 3.06Å; K129-F152 WeakPolarHBondContact O-CA 3.46Å; T130-F152 HydrophobicContact CG2-CD1 3.85Å; T130-F152 HydrophobicContact CG2-CE1 3.71Å; T130-F152 HydrophobicContact CG2-CZ 4.36Å; F152-K154 VanDerWaalsContact C-N 3.27Å; F152-K154 WeakPolarHBondContact CB-O 3.49Å; F152-K154 PolarHBondContact O-N 3.41Å; F152-D157 HydrophobicContact CB-CB 4.03Å; F152-D157 HydrophobicContact CD1-CB 4.04Å; F152-D157 HydrophobicContact CG-CB 4.2Å; F152-F161 HydrophobicContact CE2-CB 4.07Å; F152-F161 HydrophobicContact CE2-CD1 4.22Å; F152-F161 HydrophobicContact CE2-CG 4.13Å; F152-F161 HydrophobicContact CZ-CB 3.82Å; F152-F161 HydrophobicContact CZ-CD1 4.31Å; F152-F161 HydrophobicContact CZ-CD2 4.16Å; F152-F161 AromaticContact CZ-CG 3.83Å; F152-F161 HydrophobicContact CZ-CG 3.83Å
153E93.6Very high97.1Very high86 Ų8649.3 Ų49.340%0.40224%0.237SC..SBendtrans-62.8-38.1174.8-175.9174-147.600111.5N103 K129 L131N103-E153 PolarHBondContact ND2-O 2.98Å; K129-E153 HydrophobicContact CB-CB 4.3Å; K129-E153 WeakPolarHBondContact CD-OE2 3.24Å; K129-E153 PolarHBondContact O-N 2.7Å; L131-E153 HydrophobicContact CD2-CB 4.22Å; L131-E153 HydrophobicContact CD2-CG 4.37Å; L131-E153 HydrophobicContact CG-CB 4.21Å
154K95.3Very high97.2Very high117 Ų11744.4 Ų44.451%0.50922%0.219SC..SBendtrans-120.7150.3-179-62.3-179.4-176.6176.20111.7F152 E156 D157 S158F152-K154 VanDerWaalsContact C-N 3.27Å; F152-K154 WeakPolarHBondContact CB-O 3.49Å; F152-K154 PolarHBondContact O-N 3.41Å; K154-E156 VanDerWaalsContact C-N 3.31Å; K154-E156 WeakPolarHBondContact CB-OE2 3.43Å; K154-D157 HydrophobicContact CB-CB 4.41Å; K154-D157 PolarHBondContact O-N 2.96Å; K154-S158 PolarHBondContact O-N 3.12Å
155K96.4Very high97.1Very high73 Ų7352.5 Ų52.532%0.31726%0.257SS..Hα-helixtrans-62.8-42.8175.2177.1178.9174.8171.80110.7E102 N103 D157 S158 E159E102-K155 HydrophobicContact CB-CD 4.03Å; E102-K155 HydrophobicContact CB-CG 4.28Å; E102-K155 WeakPolarHBondContact OE2-CD 3.45Å; E102-K155 WeakPolarHBondContact OE2-CE 3.38Å; E102-K155 IonicContact OE2-NZ 3.33Å; E102-K155 PolarHBondContact OE2-NZ 2.79Å; N103-K155 WeakPolarHBondContact OD1-CA 3.22Å; N103-K155 WeakPolarHBondContact OD1-CB 3.5Å; N103-K155 PolarHBondContact OD1-N 3.44Å; K155-D157 VanDerWaalsContact C-N 3.26Å; K155-D157 PolarHBondContact O-N 3.39Å; K155-S158 WeakPolarHBondContact O-CA 3.42Å; K155-S158 WeakPolarHBondContact O-CB 3.35Å; K155-S158 PolarHBondContact O-N 3.29Å; K155-S158 PolarHBondContact O-OG 3.38Å; K155-E159 WeakPolarHBondContact CE-OE1 3.47Å; K155-E159 HydrophobicContact CG-CG 4.47Å; K155-E159 PolarHBondContact O-N 3.38Å
156E97.4Very high97Very high121 Ų12154.1 Ų54.157%0.56527%0.269SS*.Hα-helixtrans-60.6-35.8-178.9-61.477.5-170.600111.7K154 S158 E159 K160K154-E156 VanDerWaalsContact C-N 3.31Å; K154-E156 WeakPolarHBondContact CB-OE2 3.43Å; E156-S158 VanDerWaalsContact C-N 3.32Å; E156-S158 PolarHBondContact O-N 2.98Å; E156-E159 PolarHBondContact O-N 3.46Å; E156-K160 WeakPolarHBondContact O-CB 3.33Å; E156-K160 PolarHBondContact O-N 3.4Å
157D98Very high96.8Very high30 Ų3053.9 Ų53.916%0.1627%0.266CS..Hα-helixtrans-66.9-37176.4-70.3-24.1000111.5G127 F152 K154 K155 F161G127-D157 WeakPolarHBondContact CA-O 3.41Å; F152-D157 HydrophobicContact CB-CB 4.03Å; F152-D157 HydrophobicContact CD1-CB 4.04Å; F152-D157 HydrophobicContact CG-CB 4.2Å; K154-D157 HydrophobicContact CB-CB 4.41Å; K154-D157 PolarHBondContact O-N 2.96Å; K155-D157 VanDerWaalsContact C-N 3.26Å; K155-D157 PolarHBondContact O-N 3.39Å; D157-F161 WeakPolarHBondContact O-CB 3.41Å; D157-F161 PolarHBondContact O-N 2.96Å
158S97.5Very high96.7Very high2 Ų255.6 Ų55.61%0.01428%0.28CS..Hα-helixtrans-68.6-41176.788.90000111.4E102 N103 K154 K155 E156 F161 L162E102-S158 PolarHBondContact O-OG 3.04Å; N103-S158 WeakPolarHBondContact O-CB 2.97Å; K154-S158 PolarHBondContact O-N 3.12Å; K155-S158 WeakPolarHBondContact O-CA 3.42Å; K155-S158 WeakPolarHBondContact O-CB 3.35Å; K155-S158 PolarHBondContact O-N 3.29Å; K155-S158 PolarHBondContact O-OG 3.38Å; E156-S158 VanDerWaalsContact C-N 3.32Å; E156-S158 PolarHBondContact O-N 2.98Å; S158-F161 PolarHBondContact O-N 3.01Å; S158-L162 WeakPolarHBondContact O-CG 3.29Å; S158-L162 PolarHBondContact O-N 2.99Å
159E98.1Very high96.6Very high101 Ų10158.9 Ų58.947%0.47230%0.3SS..Hα-helixtrans-66.9-45.1176.4-69.8176.6168.700110.9K155 E156 F161 L162 A163K155-E159 WeakPolarHBondContact CE-OE1 3.47Å; K155-E159 HydrophobicContact CG-CG 4.47Å; K155-E159 PolarHBondContact O-N 3.38Å; E156-E159 PolarHBondContact O-N 3.46Å; E159-F161 VanDerWaalsContact C-N 3.32Å; E159-F161 PolarHBondContact O-N 3.05Å; E159-L162 PolarHBondContact O-N 3.09Å; E159-A163 WeakPolarHBondContact O-CB 3.35Å; E159-A163 PolarHBondContact O-N 2.86Å
160K97.8Very high96.6Very high121 Ų12158.6 Ų58.653%0.52630%0.299SS..Hα-helixtrans-57.3-45.1174.2178.9-176.6166.9-157.20111.4G127 E156 L162 A163 S164G127-K160 PolarHBondContact O-NZ 2.75Å; E156-K160 WeakPolarHBondContact O-CB 3.33Å; E156-K160 PolarHBondContact O-N 3.4Å; K160-L162 PolarHBondContact O-N 3.32Å; K160-A163 PolarHBondContact O-N 2.87Å; K160-S164 WeakPolarHBondContact O-CB 3.45Å; K160-S164 PolarHBondContact O-N 3.18Å
161F98.5Very high96.4Very high0 Ų063.9 Ų63.90%032%0.322CS..Hα-helixtrans-60.1-45.2176171.7-97.6000111.9V105 V107 W122 L123 H126 F152 D157 S158 E159 S164 A167 R177V105-F161 HydrophobicContact CG1-CD1 4.41Å; V105-F161 HydrophobicContact CG2-CD1 4.34Å; V105-F161 HydrophobicContact CG2-CE1 4.31Å; V107-F161 HydrophobicContact CG2-CE1 3.67Å; V107-F161 HydrophobicContact CG2-CZ 3.9Å; W122-F161 HydrophobicContact CE3-CE2 4.09Å; W122-F161 HydrophobicContact CE3-CZ 4.33Å; W122-F161 AromaticContact CH2-CE2 3.67Å; W122-F161 HydrophobicContact CH2-CE2 3.67Å; W122-F161 AromaticContact CH2-CZ 3.4Å; W122-F161 HydrophobicContact CH2-CZ 3.4Å; W122-F161 HydrophobicContact CZ2-CE2 4.1Å; W122-F161 HydrophobicContact CZ2-CZ 4.2Å; W122-F161 AromaticContact CZ3-CE2 3.64Å; W122-F161 HydrophobicContact CZ3-CE2 3.64Å; W122-F161 AromaticContact CZ3-CZ 3.45Å; W122-F161 HydrophobicContact CZ3-CZ 3.45Å; W122-F161 VanDerWaalsContact CZ3-CZ 3.45Å; L123-F161 HydrophobicContact CD2-CD2 4.29Å; L123-F161 HydrophobicContact CD2-CE1 4.22Å; L123-F161 HydrophobicContact CD2-CE2 3.74Å; L123-F161 HydrophobicContact CD2-CZ 3.69Å; H126-F161 HydrophobicContact CB-CD2 4.02Å; H126-F161 HydrophobicContact CB-CE2 4.49Å; F152-F161 HydrophobicContact CE2-CB 4.07Å; F152-F161 HydrophobicContact CE2-CD1 4.22Å; F152-F161 HydrophobicContact CE2-CG 4.13Å; F152-F161 HydrophobicContact CZ-CB 3.82Å; F152-F161 HydrophobicContact CZ-CD1 4.31Å; F152-F161 HydrophobicContact CZ-CD2 4.16Å; F152-F161 AromaticContact CZ-CG 3.83Å; F152-F161 HydrophobicContact CZ-CG 3.83Å; D157-F161 WeakPolarHBondContact O-CB 3.41Å; D157-F161 PolarHBondContact O-N 2.96Å; S158-F161 PolarHBondContact O-N 3.01Å; E159-F161 VanDerWaalsContact C-N 3.32Å; E159-F161 PolarHBondContact O-N 3.05Å; F161-S164 PolarHBondContact O-N 2.97Å; F161-A167 HydrophobicContact CD2-CB 3.96Å; F161-A167 HydrophobicContact CE2-CB 3.66Å; F161-A167 HydrophobicContact CZ-CB 4.32Å; F161-R177 HydrophobicContact CE1-CG 4.32Å; F161-R177 PolarHBondContact O-NH1 3.4Å
162L98Very high96.2Very high41 Ų4172.8 Ų72.822%0.21536%0.364CS..Hα-helixtrans-67.7-35.5179.6-68.9176.3000112.7V105 S158 E159 K160 R177 T179V105-L162 HydrophobicContact CG1-CD1 4.12Å; V105-L162 HydrophobicContact CG1-CD2 4.2Å; V105-L162 HydrophobicContact CG1-CG 4.06Å; S158-L162 WeakPolarHBondContact O-CG 3.29Å; S158-L162 PolarHBondContact O-N 2.99Å; E159-L162 PolarHBondContact O-N 3.09Å; K160-L162 PolarHBondContact O-N 3.32Å; L162-R177 HydrophobicContact CD2-CB 3.75Å; L162-T179 HydrophobicContact CD1-CG2 3.72Å
163A97.3Very high96Very high81 Ų8177.4 Ų77.467%0.66938%0.384SS*.Hα-helixtrans-77.2-22177.500000113.5E159 K160 Q165E159-A163 WeakPolarHBondContact O-CB 3.35Å; E159-A163 PolarHBondContact O-N 2.86Å; K160-A163 PolarHBondContact O-N 2.87Å; A163-Q165 PolarHBondContact O-N 2.9Å
164S96.8Very high96.2Very high24 Ų2477.2 Ų77.217%0.16840%0.396CS..  trans-63.7121.1-179.8172.90000111.6K160 F161 E166 A167 R177K160-S164 WeakPolarHBondContact O-CB 3.45Å; K160-S164 PolarHBondContact O-N 3.18Å; F161-S164 PolarHBondContact O-N 2.97Å; S164-E166 PolarHBondContact OG-N 2.98Å; S164-A167 PolarHBondContact OG-N 3.37Å; S164-R177 PolarHBondContact O-NH1 3.38Å; S164-R177 PolarHBondContact O-NH2 3.38Å
165Q94.8Very high96.3Very high175 Ų17572.4 Ų72.482%0.81838%0.376SS*.SBendtrans-68.6-34.9173.5-68.7-174.2-18.300111.7A163 A167 A168A163-Q165 PolarHBondContact O-N 2.9Å; Q165-A167 VanDerWaalsContact C-N 3.29Å; Q165-A167 PolarHBondContact O-N 3.24Å; Q165-A168 WeakPolarHBondContact O-CB 3.42Å; Q165-A168 PolarHBondContact O-N 3.49Å
166E93.6Very high96.4Very high133 Ų13373.8 Ų73.862%0.62139%0.386SS*.G310 helixtrans-64.4-35.6177.5-62.9-176.7176.100111.9H126 S164 A168H126-E166 VanDerWaalsContact CE1-CB 3.47Å; H126-E166 WeakPolarHBondContact CE1-CB 3.44Å; H126-E166 IonicContact CE1-OE2 2.78Å; H126-E166 PolarHBondContact CE1-OE2 3.03Å; H126-E166 VanDerWaalsContact CE1-OE2 3.24Å; H126-E166 IonicContact ND1-OE2 3.59Å; H126-E166 PolarHBondContact ND1-OE2 2.95Å; S164-E166 PolarHBondContact OG-N 2.98Å; E166-A168 PolarHBondContact O-N 3.1Å
167A94.9Very high96.4Very high0 Ų070.7 Ų70.70%037%0.369CS..G310 helixtrans-77.71.4173.700000113.6W122 H126 F161 S164 Q165 T169 R177W122-A167 HydrophobicContact CZ2-CB 3.92Å; W122-A167 VanDerWaalsContact CZ2-O 3.24Å; W122-A167 WeakPolarHBondContact CZ2-O 3.45Å; H126-A167 HydrophobicContact CB-CB 3.64Å; F161-A167 HydrophobicContact CD2-CB 3.96Å; F161-A167 HydrophobicContact CE2-CB 3.66Å; F161-A167 HydrophobicContact CZ-CB 4.32Å; S164-A167 PolarHBondContact OG-N 3.37Å; Q165-A167 VanDerWaalsContact C-N 3.29Å; Q165-A167 PolarHBondContact O-N 3.24Å; A167-T169 PolarHBondContact O-N 3.21Å; A167-R177 VanDerWaalsContact O-CD 3.28Å; A167-R177 WeakPolarHBondContact O-CD 3.38Å; A167-R177 PolarHBondContact O-NE 3.03Å; A167-R177 PolarHBondContact O-NH1 3.39Å; A167-R177 VanDerWaalsContact O-NH1 3.1Å
168A95.5Very high96.4Very high38 Ų3870.7 Ų70.731%0.31437%0.372SS..G310 helixtrans-69.4-19.3171.700000112.1Q165 E166 M175 R177Q165-A168 WeakPolarHBondContact O-CB 3.42Å; Q165-A168 PolarHBondContact O-N 3.49Å; E166-A168 PolarHBondContact O-N 3.1Å; A168-M175 PolarHBondContact O-N 2.85Å; A168-R177 VanDerWaalsContact CA-NH2 3.33Å
169T96.4Very high96.4Very high69 Ų6972.5 Ų72.542%0.42338%0.383SS..EExtended strand (participates in β ladder)trans-126.7147.8175.957.90000111.4A167 K173A167-T169 PolarHBondContact O-N 3.21Å; T169-K173 CarbonylContact C-O 3.57Å; T169-K173 WeakPolarHBondContact CA-O 3.2Å
170F96.7Very high96.3Very high13 Ų1369.1 Ų69.16%0.05737%0.367CS..EExtended strand (participates in β ladder)trans-131.9119.8170.6178.2-96.7000108.2F110 E114 W122 E172 K173 M175F110-F170 AromaticContact CD1-CD1 3.78Å; F110-F170 HydrophobicContact CD1-CD1 3.78Å; F110-F170 AromaticContact CD1-CE1 3.95Å; F110-F170 HydrophobicContact CD1-CE1 3.95Å; F110-F170 HydrophobicContact CD1-CG 4.25Å; F110-F170 AromaticContact CE1-CD1 4Å; F110-F170 HydrophobicContact CE1-CD1 4Å; F110-F170 HydrophobicContact CE1-CD2 4.29Å; F110-F170 HydrophobicContact CE1-CE1 4.25Å; F110-F170 HydrophobicContact CE1-CG 4Å; E114-F170 HydrophobicContact CG-CE1 4.14Å; W122-F170 HydrophobicContact CB-CD2 3.95Å; W122-F170 HydrophobicContact CB-CE2 3.69Å; W122-F170 AromaticContact CD1-CD2 3.59Å; W122-F170 AromaticContact CD2-CD2 3.57Å; W122-F170 HydrophobicContact CD2-CD2 3.57Å; W122-F170 HydrophobicContact CD2-CE2 4.18Å; W122-F170 HydrophobicContact CD2-CG 4.47Å; W122-F170 AromaticContact CE2-CD2 3.76Å; W122-F170 HydrophobicContact CE3-CD2 4.23Å; W122-F170 AromaticContact CG-CD2 3.43Å; W122-F170 HydrophobicContact CG-CD2 3.43Å; W122-F170 VanDerWaalsContact CG-CD2 3.43Å; W122-F170 AromaticContact CG-CE2 3.73Å; W122-F170 HydrophobicContact CG-CE2 3.73Å; W122-F170 HydrophobicContact CZ2-CB 4.06Å; W122-F170 HydrophobicContact CZ2-CD2 4.48Å; W122-F170 AromaticContact NE1-CD2 3.77Å; F170-E172 VanDerWaalsContact C-N 3.27Å; F170-E172 PolarHBondContact O-N 3.49Å; F170-K173 PolarHBondContact N-O 3.44Å; F170-K173 WeakPolarHBondContact O-CB 3.33Å; F170-K173 PolarHBondContact O-N 2.96Å; F170-M175 HydrophobicContact CB-CE 4.3Å; F170-M175 HydrophobicContact CB-CG 3.81Å; F170-M175 HydrophobicContact CB-SD 3.71Å
171K94.3Very high96.3Very high112 Ų11266.3 Ų66.349%0.48736%0.357SS..THydrogen-bonded Turntrans46.551.9-172.6-61.5179.1179.11730111.8E114 E118 K173E114-K171 IonicContact OE1-NZ 2.76Å; E114-K171 IonicContact OE2-NZ 2.84Å; E114-K171 PolarHBondContact OE2-NZ 3.14Å; E118-K171 VanDerWaalsContact OE2-CE 3.22Å; E118-K171 WeakPolarHBondContact OE2-CE 3.37Å; E118-K171 IonicContact OE2-NZ 2.95Å; E118-K171 PolarHBondContact OE2-NZ 3.38Å; K171-K173 PolarHBondContact O-N 2.67Å
172E91.4Very high96.3Very high192 Ų19269.9 Ų69.990%0.89738%0.376SS*.THydrogen-bonded Turntrans64.21.3-179.3-53176.5172.100115.8F170F170-E172 VanDerWaalsContact C-N 3.27Å; F170-E172 PolarHBondContact O-N 3.49Å
173K94.7Very high96.2Very high97 Ų9768.3 Ų68.342%0.42237%0.367SS..EExtended strand (participates in β ladder)trans-91.9131174.5-66.8177.1-180168.60110.6T169 F170 K171T169-K173 CarbonylContact C-O 3.57Å; T169-K173 WeakPolarHBondContact CA-O 3.2Å; F170-K173 PolarHBondContact N-O 3.44Å; F170-K173 WeakPolarHBondContact O-CB 3.33Å; F170-K173 PolarHBondContact O-N 2.96Å; K171-K173 PolarHBondContact O-N 2.67Å
174A96.7Very high96.2Very high81 Ų8171 Ų7167%0.66936%0.36SS*.EExtended strand (participates in β ladder)trans-64.7135.117500000111.5
175M97.6Very high96.2Very high17 Ų1775.1 Ų75.18%0.08438%0.375CS..  trans-108.7127-175.7-57.6-54.9-71.700110.9V107 F110 W122 A168 F170 R177V107-M175 HydrophobicContact CG1-CB 4.37Å; V107-M175 HydrophobicContact CG1-CE 3.55Å; F110-M175 HydrophobicContact CD1-CE 3.73Å; F110-M175 HydrophobicContact CD2-CE 3.71Å; F110-M175 HydrophobicContact CE1-CE 3.58Å; F110-M175 HydrophobicContact CE2-CE 3.57Å; F110-M175 HydrophobicContact CG-CE 3.79Å; F110-M175 HydrophobicContact CZ-CE 3.51Å; W122-M175 HydrophobicContact CH2-CG 4.21Å; W122-M175 HydrophobicContact CZ2-CG 4.25Å; A168-M175 PolarHBondContact O-N 2.85Å; F170-M175 HydrophobicContact CB-CE 4.3Å; F170-M175 HydrophobicContact CB-CG 3.81Å; F170-M175 HydrophobicContact CB-SD 3.71Å; M175-R177 HydrophobicContact CB-CG 4.08Å; M175-R177 PolarHBondContact O-N 3.11Å
176I97.8Very high96.4Very high102 Ų10271.9 Ų71.952%0.52336%0.355SS..EExtended strand (participates in β ladder)trans-79.8120167.1-59.6170.1000107.1V107 K108V107-I176 CarbonylContact C-O 3.59Å; V107-I176 WeakPolarHBondContact CA-O 3.48Å; K108-I176 HydrophobicContact CB-CB 4.29Å; K108-I176 HydrophobicContact CD-CD1 4.44Å; K108-I176 PolarHBondContact N-O 3.44Å; K108-I176 PolarHBondContact O-N 2.97Å
177R98Very high96.6Very high55 Ų5568.9 Ų68.921%0.20834%0.34CS..EExtended strand (participates in β ladder)trans-130.1140-177.3-60.1179.3-64.5166.3-0.1110Y106 V107 F161 L162 S164 A167 A168 M175Y106-R177 WeakPolarHBondContact O-CA 3.25Å; V107-R177 HydrophobicContact CG1-CG 4.06Å; V107-R177 HydrophobicContact CG2-CG 4.27Å; F161-R177 HydrophobicContact CE1-CG 4.32Å; F161-R177 PolarHBondContact O-NH1 3.4Å; L162-R177 HydrophobicContact CD2-CB 3.75Å; S164-R177 PolarHBondContact O-NH1 3.38Å; S164-R177 PolarHBondContact O-NH2 3.38Å; A167-R177 VanDerWaalsContact O-CD 3.28Å; A167-R177 WeakPolarHBondContact O-CD 3.38Å; A167-R177 PolarHBondContact O-NE 3.03Å; A167-R177 PolarHBondContact O-NH1 3.39Å; A167-R177 VanDerWaalsContact O-NH1 3.1Å; A168-R177 VanDerWaalsContact CA-NH2 3.33Å; M175-R177 HydrophobicContact CB-CG 4.08Å; M175-R177 PolarHBondContact O-N 3.11Å
178S97.8Very high96.7Very high31 Ų3173.9 Ų73.922%0.21736%0.364CS..EExtended strand (participates in β ladder)trans-154.9168.6171.568.40000109.6V105 Y106V105-S178 WeakPolarHBondContact CA-O 3.47Å; Y106-S178 PolarHBondContact N-O 3.31Å; Y106-S178 PolarHBondContact O-N 3.4Å
179T98.2Very high96.8Very high40 Ų4078.1 Ų78.125%0.24538%0.377CS..EExtended strand (participates in β ladder)trans-60.1152.5162.472.60000109.2L162 I181 D182 Y183L162-T179 HydrophobicContact CD1-CG2 3.72Å; T179-I181 PolarHBondContact O-N 3.12Å; T179-D182 PolarHBondContact O-N 2.9Å; T179-D182 WeakPolarHBondContact OG1-CB 3.43Å; T179-D182 PolarHBondContact OG1-N 3.02Å; T179-D182 PolarHBondContact OG1-OD2 3.49Å; T179-Y183 PolarHBondContact O-N 3.2Å; T179-Y183 VanDerWaalsContact O-N 3.12Å
180Q96.6Very high96.9Very high30 Ų3078.7 Ų78.714%0.1438%0.375CS..Hα-helixtrans-65.3-31.5174.3-174.5170.218.800110.8G104 F149 Y183 W184G104-Q180 WeakPolarHBondContact O-CB 3.25Å; G104-Q180 PolarHBondContact O-N 2.95Å; F149-Q180 HydrophobicContact CD1-CG 3.78Å; F149-Q180 HydrophobicContact CE1-CG 3.97Å; Q180-Y183 WeakPolarHBondContact O-CB 3.46Å; Q180-Y183 PolarHBondContact O-N 2.86Å; Q180-W184 PolarHBondContact O-N 2.91Å; Q180-W184 VanDerWaalsContact O-N 3.11Å
181I96.5Very high97Very high62 Ų6282.5 Ų82.532%0.31840%0.396SS..Hα-helixtrans-60.5-51.2174.5-65.1173.2000110.7T179 Y183 W184 K185T179-I181 PolarHBondContact O-N 3.12Å; I181-Y183 VanDerWaalsContact C-N 3.28Å; I181-Y183 PolarHBondContact O-N 2.72Å; I181-W184 PolarHBondContact O-N 2.95Å; I181-W184 VanDerWaalsContact O-N 3.14Å; I181-K185 HydrophobicContact CG2-CD 4.14Å; I181-K185 VanDerWaalsContact CG2-CE 3.49Å; I181-K185 WeakPolarHBondContact O-CG 3.43Å; I181-K185 PolarHBondContact O-N 3.5Å
182D98Very high97.1Very high74 Ų7483 Ų8340%0.39640%0.398SS..Hα-helixtrans-67.1-32.5-178.9-61.2-32.4000111.8T179 K185 R186T179-D182 PolarHBondContact O-N 2.9Å; T179-D182 WeakPolarHBondContact OG1-CB 3.43Å; T179-D182 PolarHBondContact OG1-N 3.02Å; T179-D182 PolarHBondContact OG1-OD2 3.49Å; D182-K185 IonicContact OD1-NZ 2.84Å; D182-R186 WeakPolarHBondContact O-CB 3.37Å; D182-R186 PolarHBondContact O-N 3.48Å
183Y97.3Very high97.5Very high8 Ų876.8 Ų76.83%0.03138%0.379CS..Hα-helixtrans-57.1-50.2170.7173.9-90.4000111.5Y106 R136 F149 T179 Q180 I181 R186 K187Y106-Y183 AromaticContact CD1-CD2 3.43Å; Y106-Y183 HydrophobicContact CD1-CD2 3.43Å; Y106-Y183 VanDerWaalsContact CD1-CD2 3.43Å; Y106-Y183 HydrophobicContact CD1-CE2 4.04Å; Y106-Y183 HydrophobicContact CD1-CG 4.24Å; Y106-Y183 AromaticContact CD2-CD2 3.68Å; Y106-Y183 HydrophobicContact CD2-CD2 3.68Å; Y106-Y183 AromaticContact CD2-CE2 3.86Å; Y106-Y183 HydrophobicContact CD2-CE2 3.86Å; Y106-Y183 HydrophobicContact CD2-CG 4.15Å; Y106-Y183 AromaticContact CE1-CD2 3.6Å; Y106-Y183 HydrophobicContact CE1-CD2 3.6Å; Y106-Y183 AromaticContact CE1-CE2 3.76Å; Y106-Y183 HydrophobicContact CE1-CE2 3.76Å; Y106-Y183 AromaticContact CE2-CD2 3.87Å; Y106-Y183 HydrophobicContact CE2-CD2 3.87Å; Y106-Y183 AromaticContact CE2-CE2 3.58Å; Y106-Y183 HydrophobicContact CE2-CE2 3.58Å; Y106-Y183 AromaticContact CG-CD2 3.43Å; Y106-Y183 HydrophobicContact CG-CD2 3.43Å; Y106-Y183 VanDerWaalsContact CG-CD2 3.43Å; Y106-Y183 HydrophobicContact CG-CE2 4.06Å; Y106-Y183 AromaticContact CG-CG 3.88Å; Y106-Y183 HydrophobicContact CG-CG 3.88Å; Y106-Y183 AromaticContact CZ-CD2 3.8Å; Y106-Y183 AromaticContact CZ-CE2 3.5Å; R136-Y183 PolarHBondContact NH1-OH 2.96Å; R136-Y183 PolarHBondContact NH2-OH 3.15Å; F149-Y183 AromaticContact CE1-CD1 3.65Å; F149-Y183 HydrophobicContact CE1-CD1 3.65Å; F149-Y183 AromaticContact CE1-CE1 3.95Å; F149-Y183 HydrophobicContact CE1-CE1 3.95Å; F149-Y183 HydrophobicContact CE1-CG 4.04Å; F149-Y183 AromaticContact CZ-CD1 3.7Å; F149-Y183 HydrophobicContact CZ-CD1 3.7Å; F149-Y183 AromaticContact CZ-CE1 3.5Å; F149-Y183 HydrophobicContact CZ-CE1 3.5Å; F149-Y183 VanDerWaalsContact CZ-CE1 3.5Å; F149-Y183 HydrophobicContact CZ-CG 4.43Å; T179-Y183 PolarHBondContact O-N 3.2Å; T179-Y183 VanDerWaalsContact O-N 3.12Å; Q180-Y183 WeakPolarHBondContact O-CB 3.46Å; Q180-Y183 PolarHBondContact O-N 2.86Å; I181-Y183 VanDerWaalsContact C-N 3.28Å; I181-Y183 PolarHBondContact O-N 2.72Å; Y183-R186 PolarHBondContact O-N 2.97Å; Y183-K187 HydrophobicContact CD1-CG 4.29Å; Y183-K187 HydrophobicContact CE1-CG 3.73Å; Y183-K187 HydrophobicContact CE2-CG 4.24Å; Y183-K187 WeakPolarHBondContact O-CG 3.28Å; Y183-K187 PolarHBondContact O-N 2.9Å; Y183-K187 WeakPolarHBondContact OH-CE 3.39Å
184W96.1Very high97.6Very high138 Ų13878.1 Ų78.152%0.52339%0.385SS..Hα-helixtrans-68.2-41.4-178-71121.7000112.3F149 Q180 I181 R186 K187 E188F149-W184 HydrophobicContact CE2-CZ2 4.22Å; F149-W184 HydrophobicContact CZ-CH2 4.46Å; F149-W184 AromaticContact CZ-CZ2 3.91Å; F149-W184 HydrophobicContact CZ-CZ2 3.91Å; Q180-W184 PolarHBondContact O-N 2.91Å; Q180-W184 VanDerWaalsContact O-N 3.11Å; I181-W184 PolarHBondContact O-N 2.95Å; I181-W184 VanDerWaalsContact O-N 3.14Å; W184-R186 PolarHBondContact O-N 3.13Å; W184-K187 PolarHBondContact O-N 3.06Å; W184-K187 VanDerWaalsContact O-N 3.1Å; W184-E188 PolarHBondContact O-N 2.63Å
185K98.1Very high97.7Very high111 Ų11178 Ų7848%0.48338%0.376SS..Hα-helixtrans-55.6-49.5172.9-71.9175.1-178.1167.40111.4I181 D182 K187 E188 E189I181-K185 HydrophobicContact CG2-CD 4.14Å; I181-K185 VanDerWaalsContact CG2-CE 3.49Å; I181-K185 WeakPolarHBondContact O-CG 3.43Å; I181-K185 PolarHBondContact O-N 3.5Å; D182-K185 IonicContact OD1-NZ 2.84Å; K185-K187 VanDerWaalsContact C-N 3.28Å; K185-K187 PolarHBondContact O-N 3.31Å; K185-E188 WeakPolarHBondContact O-CB 3.2Å; K185-E188 PolarHBondContact O-N 3.13Å; K185-E188 VanDerWaalsContact O-N 3.13Å; K185-E189 WeakPolarHBondContact O-CG 3.11Å; K185-E189 PolarHBondContact O-N 3.34Å
186R97.9Very high97.7Very high107 Ų10780 Ų8040%0.40440%0.396SS..Hα-helixtrans-59.6-38.6176.4-172.9178.569.3100.93112.2D182 Y183 W184 E189 E190D182-R186 WeakPolarHBondContact O-CB 3.37Å; D182-R186 PolarHBondContact O-N 3.48Å; Y183-R186 PolarHBondContact O-N 2.97Å; W184-R186 PolarHBondContact O-N 3.13Å; R186-E189 PolarHBondContact O-N 3.02Å; R186-E190 IonicContact CZ-OE1 2.67Å; R186-E190 VanDerWaalsContact CZ-OE1 3.32Å; R186-E190 IonicContact NE-OE1 3.81Å; R186-E190 IonicContact NH1-OE1 2.96Å; R186-E190 PolarHBondContact NH1-OE1 2.89Å; R186-E190 WeakPolarHBondContact O-CB 2.87Å; R186-E190 VanDerWaalsContact O-CG 3.28Å; R186-E190 WeakPolarHBondContact O-CG 3.36Å; R186-E190 PolarHBondContact O-N 2.67Å
187K97.4Very high97.8Very high70 Ų7077.8 Ų77.830%0.30439%0.389SS..Hα-helixtrans-68.9-34.8176.6-73.1-51.8-176.8-171.90113.4Y183 W184 K185 E190 N191Y183-K187 HydrophobicContact CD1-CG 4.29Å; Y183-K187 HydrophobicContact CE1-CG 3.73Å; Y183-K187 HydrophobicContact CE2-CG 4.24Å; Y183-K187 WeakPolarHBondContact O-CG 3.28Å; Y183-K187 PolarHBondContact O-N 2.9Å; Y183-K187 WeakPolarHBondContact OH-CE 3.39Å; W184-K187 PolarHBondContact O-N 3.06Å; W184-K187 VanDerWaalsContact O-N 3.1Å; K185-K187 VanDerWaalsContact C-N 3.28Å; K185-K187 PolarHBondContact O-N 3.31Å; K187-E190 WeakPolarHBondContact CD-OE2 3.15Å; K187-E190 IonicContact NZ-OE1 3.15Å; K187-E190 IonicContact NZ-OE2 3.18Å; K187-E190 PolarHBondContact NZ-OE2 2.86Å; K187-N191 WeakPolarHBondContact O-CB 3.41Å; K187-N191 PolarHBondContact O-N 3.1Å
188E97.9Very high97.8Very high105 Ų10580.5 Ų80.549%0.49140%0.404SS..Hα-helixtrans-65.4-45.6173.2-165.9-172.3163.600111.2W184 K185 N191 K192W184-E188 PolarHBondContact O-N 2.63Å; K185-E188 WeakPolarHBondContact O-CB 3.2Å; K185-E188 PolarHBondContact O-N 3.13Å; K185-E188 VanDerWaalsContact O-N 3.13Å; E188-N191 PolarHBondContact O-N 2.86Å; E188-K192 WeakPolarHBondContact O-CG 3.36Å; E188-K192 PolarHBondContact O-N 2.87Å; E188-K192 WeakPolarHBondContact OE1-CE 3.48Å; E188-K192 IonicContact OE1-NZ 2.62Å; E188-K192 PolarHBondContact OE1-NZ 2.89Å
189E98.2Very high97.8Very high127 Ų12781.9 Ų81.959%0.59342%0.417SS*.Hα-helixtrans-63.1-46.6176.5-70.7171.4178.800112.4K185 R186 N191 K192 A193K185-E189 WeakPolarHBondContact O-CG 3.11Å; K185-E189 PolarHBondContact O-N 3.34Å; R186-E189 PolarHBondContact O-N 3.02Å; E189-N191 PolarHBondContact O-N 3.21Å; E189-K192 PolarHBondContact O-N 3.32Å; E189-A193 WeakPolarHBondContact O-CB 3.2Å; E189-A193 PolarHBondContact O-N 3.35Å
190E97.8Very high97.8Very high80 Ų8087.9 Ų87.937%0.37444%0.44SS..Hα-helixtrans-56-41.2173.8-78.1176-159.900111.1R186 K187 K194R186-E190 IonicContact CZ-OE1 2.67Å; R186-E190 VanDerWaalsContact CZ-OE1 3.32Å; R186-E190 IonicContact NE-OE1 3.81Å; R186-E190 IonicContact NH1-OE1 2.96Å; R186-E190 PolarHBondContact NH1-OE1 2.89Å; R186-E190 WeakPolarHBondContact O-CB 2.87Å; R186-E190 VanDerWaalsContact O-CG 3.28Å; R186-E190 WeakPolarHBondContact O-CG 3.36Å; R186-E190 PolarHBondContact O-N 2.67Å; K187-E190 WeakPolarHBondContact CD-OE2 3.15Å; K187-E190 IonicContact NZ-OE1 3.15Å; K187-E190 IonicContact NZ-OE2 3.18Å; K187-E190 PolarHBondContact NZ-OE2 2.86Å; E190-K194 WeakPolarHBondContact O-CB 3.43Å; E190-K194 PolarHBondContact O-N 2.93Å
191N97.8Very high97.9Very high93 Ų9393.8 Ų93.850%0.49747%0.465SS..Hα-helixtrans-69.5-45.8178.4-172.662.3000112.1K187 E188 E189 A193 K194 V195K187-N191 WeakPolarHBondContact O-CB 3.41Å; K187-N191 PolarHBondContact O-N 3.1Å; E188-N191 PolarHBondContact O-N 2.86Å; E189-N191 PolarHBondContact O-N 3.21Å; N191-A193 VanDerWaalsContact C-N 3.34Å; N191-A193 PolarHBondContact O-N 3.46Å; N191-K194 WeakPolarHBondContact O-CB 3.33Å; N191-K194 PolarHBondContact O-N 3.45Å; N191-V195 WeakPolarHBondContact O-CG2 3.32Å; N191-V195 PolarHBondContact O-N 3.27Å
192K98.3Very high97.9Very high122 Ų12295.4 Ų95.453%0.5347%0.471SS..Hα-helixtrans-58.6-45.5175.4-74.9176.9-177167.50111.2E188 E189 K194 V195 A196E188-K192 WeakPolarHBondContact O-CG 3.36Å; E188-K192 PolarHBondContact O-N 2.87Å; E188-K192 WeakPolarHBondContact OE1-CE 3.48Å; E188-K192 IonicContact OE1-NZ 2.62Å; E188-K192 PolarHBondContact OE1-NZ 2.89Å; E189-K192 PolarHBondContact O-N 3.32Å; K192-K194 VanDerWaalsContact C-N 3.35Å; K192-K194 PolarHBondContact O-N 3.25Å; K192-V195 PolarHBondContact O-N 2.97Å; K192-A196 WeakPolarHBondContact O-CB 3.37Å; K192-A196 PolarHBondContact O-N 3.26Å
193A98.2Very high97.9Very high62 Ų6294.4 Ų94.451%0.51247%0.473SS..Hα-helixtrans-63.2-39.6176.800000112.2E189 N191 S197E189-A193 WeakPolarHBondContact O-CB 3.2Å; E189-A193 PolarHBondContact O-N 3.35Å; N191-A193 VanDerWaalsContact C-N 3.34Å; N191-A193 PolarHBondContact O-N 3.46Å; A193-S197 WeakPolarHBondContact O-CB 3.48Å; A193-S197 PolarHBondContact O-N 3.48Å
194K98.2Very high98Very high126 Ų12696.9 Ų96.955%0.54850%0.495SS..Hα-helixtrans-63-47.5175.3-176.3-175.2176.1-170.70111.6E190 N191 K192 S197 Q198E190-K194 WeakPolarHBondContact O-CB 3.43Å; E190-K194 PolarHBondContact O-N 2.93Å; N191-K194 WeakPolarHBondContact O-CB 3.33Å; N191-K194 PolarHBondContact O-N 3.45Å; K192-K194 VanDerWaalsContact C-N 3.35Å; K192-K194 PolarHBondContact O-N 3.25Å; K194-S197 PolarHBondContact O-N 2.91Å; K194-Q198 WeakPolarHBondContact O-CG 3.38Å; K194-Q198 PolarHBondContact O-N 3.21Å
195V98.4Very high97.9Very high78 Ų7894.2 Ų94.247%0.47349%0.491SS..Hα-helixtrans-62.2-46.1177.8172.40000110.6N191 K192 S197 Q198 A199N191-V195 WeakPolarHBondContact O-CG2 3.32Å; N191-V195 PolarHBondContact O-N 3.27Å; K192-V195 PolarHBondContact O-N 2.97Å; V195-S197 VanDerWaalsContact C-N 3.35Å; V195-S197 PolarHBondContact O-N 3.34Å; V195-Q198 PolarHBondContact O-N 2.88Å; V195-Q198 VanDerWaalsContact O-N 3.17Å; V195-A199 PolarHBondContact O-N 2.98Å
196A98.2Very high97.7Very high60 Ų6093.5 Ų93.550%0.49649%0.489SS..Hα-helixtrans-61.2-41.1176.500000112.5K192 Q198 A199 K200K192-A196 WeakPolarHBondContact O-CB 3.37Å; K192-A196 PolarHBondContact O-N 3.26Å; A196-Q198 VanDerWaalsContact C-N 3.34Å; A196-Q198 PolarHBondContact O-N 3.35Å; A196-A199 PolarHBondContact O-N 2.95Å; A196-K200 WeakPolarHBondContact O-CB 3.39Å; A196-K200 PolarHBondContact O-N 3.42Å
197S98.2Very high97.6Very high55 Ų5591 Ų9139%0.38549%0.491SS..Hα-helixtrans-64.4-37.5175.21770000112.4A193 K194 V195 K201A193-S197 WeakPolarHBondContact O-CB 3.48Å; A193-S197 PolarHBondContact O-N 3.48Å; K194-S197 PolarHBondContact O-N 2.91Å; V195-S197 VanDerWaalsContact C-N 3.35Å; V195-S197 PolarHBondContact O-N 3.34Å; S197-K201 WeakPolarHBondContact O-CG 3.36Å; S197-K201 PolarHBondContact O-N 3.15Å; S197-K201 VanDerWaalsContact O-N 3.15Å
198Q98.2Very high97.4Very high112 Ų11291.7 Ų91.752%0.52350%0.498SS..Hα-helixtrans-67.7-45.6176-74.4177.9-23.700111.1K194 V195 A196 K200 K201 Q202K194-Q198 WeakPolarHBondContact O-CG 3.38Å; K194-Q198 PolarHBondContact O-N 3.21Å; V195-Q198 PolarHBondContact O-N 2.88Å; V195-Q198 VanDerWaalsContact O-N 3.17Å; A196-Q198 VanDerWaalsContact C-N 3.34Å; A196-Q198 PolarHBondContact O-N 3.35Å; Q198-K200 VanDerWaalsContact C-N 3.35Å; Q198-K200 PolarHBondContact O-N 3.42Å; Q198-K201 PolarHBondContact O-N 3.46Å; Q198-Q202 PolarHBondContact O-N 3.17Å
199A98.5Very high96.9Very high59 Ų5991.9 Ų91.949%0.48850%0.499SS..Hα-helixtrans-59.1-43.2175.700000112.1V195 A196 K201 Q202 A203V195-A199 PolarHBondContact O-N 2.98Å; A196-A199 PolarHBondContact O-N 2.95Å; A199-K201 PolarHBondContact O-N 3.2Å; A199-Q202 PolarHBondContact O-N 3.42Å; A199-A203 WeakPolarHBondContact O-CB 3.48Å; A199-A203 PolarHBondContact O-N 3.1Å
200K98.3Very high96.6Very high167 Ų16791.7 Ų91.773%0.72650%0.498SS*.Hα-helixtrans-63-40.3176.2-173.4175-178.6175.70112.7A196 Q198 A204A196-K200 WeakPolarHBondContact O-CB 3.39Å; A196-K200 PolarHBondContact O-N 3.42Å; Q198-K200 VanDerWaalsContact C-N 3.35Å; Q198-K200 PolarHBondContact O-N 3.42Å; K200-A204 VanDerWaalsContact O-CB 3.29Å; K200-A204 WeakPolarHBondContact O-CB 3.44Å; K200-A204 PolarHBondContact O-N 2.98Å
201K98.1Very high96.4Very high153 Ų15390.6 Ų90.667%0.66550%0.503SS*.Hα-helixtrans-65.3-41.3175.8-74.9177.4-177.8-177.70111.4S197 Q198 A199 L205S197-K201 WeakPolarHBondContact O-CG 3.36Å; S197-K201 PolarHBondContact O-N 3.15Å; S197-K201 VanDerWaalsContact O-N 3.15Å; Q198-K201 PolarHBondContact O-N 3.46Å; A199-K201 PolarHBondContact O-N 3.2Å; K201-L205 WeakPolarHBondContact O-CB 3.38Å; K201-L205 PolarHBondContact O-N 3.04Å
202Q97.6Very high96.1Very high96 Ų9689 Ų8945%0.44949%0.493SS..Hα-helixtrans-65.6-48.7177.4-175.259.329.200111.4Q198 A199 A204 L205 E206Q198-Q202 PolarHBondContact O-N 3.17Å; A199-Q202 PolarHBondContact O-N 3.42Å; Q202-A204 VanDerWaalsContact C-N 3.32Å; Q202-A204 PolarHBondContact O-N 3.1Å; Q202-L205 WeakPolarHBondContact O-CB 3.29Å; Q202-L205 PolarHBondContact O-N 2.85Å; Q202-L205 VanDerWaalsContact O-N 3.1Å; Q202-E206 WeakPolarHBondContact CG-OE1 3.4Å; Q202-E206 PolarHBondContact NE2-OE1 3.06Å; Q202-E206 WeakPolarHBondContact O-CG 3.49Å; Q202-E206 PolarHBondContact O-N 2.94Å
203A98.3Very high95.8Very high53 Ų5383.6 Ų83.644%0.43847%0.47SS..Hα-helixtrans-61.2-38.9177.100000112.5A199 L205 E206 A207A199-A203 WeakPolarHBondContact O-CB 3.48Å; A199-A203 PolarHBondContact O-N 3.1Å; A203-L205 VanDerWaalsContact C-N 3.35Å; A203-E206 PolarHBondContact O-N 3.36Å; A203-A207 VanDerWaalsContact O-CB 3.26Å; A203-A207 WeakPolarHBondContact O-CB 3.31Å; A203-A207 PolarHBondContact O-N 3.33Å
204A98Very high95.4Very high60 Ų6084.5 Ų84.550%0.49647%0.466SS..Hα-helixtrans-66.8-35.8175.200000112.6K200 Q202 N208K200-A204 VanDerWaalsContact O-CB 3.29Å; K200-A204 WeakPolarHBondContact O-CB 3.44Å; K200-A204 PolarHBondContact O-N 2.98Å; Q202-A204 VanDerWaalsContact C-N 3.32Å; Q202-A204 PolarHBondContact O-N 3.1Å; A204-N208 VanDerWaalsContact O-CB 3.31Å; A204-N208 WeakPolarHBondContact O-CB 3.27Å; A204-N208 PolarHBondContact O-N 2.86Å
205L94.2Very high95.1Very high83 Ų8383.5 Ų83.544%0.43547%0.474SS..Hα-helixtrans-65.6-47.1174.1178.563.5000110.9K201 Q202 A203 N208 Q209K201-L205 WeakPolarHBondContact O-CB 3.38Å; K201-L205 PolarHBondContact O-N 3.04Å; Q202-L205 WeakPolarHBondContact O-CB 3.29Å; Q202-L205 PolarHBondContact O-N 2.85Å; Q202-L205 VanDerWaalsContact O-N 3.1Å; A203-L205 VanDerWaalsContact C-N 3.35Å; L205-N208 PolarHBondContact O-N 2.8Å; L205-Q209 WeakPolarHBondContact O-CG 3.26Å; L205-Q209 PolarHBondContact O-N 2.92Å
206E93.4Very high94.6Very high96 Ų9685.9 Ų85.945%0.44948%0.475SS..Hα-helixtrans-62.9-46.2178.1-73.3169-171.500111.8Q202 A203 N208 Q209 E210Q202-E206 WeakPolarHBondContact CG-OE1 3.4Å; Q202-E206 PolarHBondContact NE2-OE1 3.06Å; Q202-E206 WeakPolarHBondContact O-CG 3.49Å; Q202-E206 PolarHBondContact O-N 2.94Å; A203-E206 PolarHBondContact O-N 3.36Å; E206-N208 VanDerWaalsContact C-N 3.32Å; E206-N208 PolarHBondContact O-N 3.15Å; E206-Q209 WeakPolarHBondContact O-CB 3.39Å; E206-Q209 PolarHBondContact O-N 3.28Å; E206-Q209 VanDerWaalsContact O-N 3.15Å; E206-E210 WeakPolarHBondContact O-CB 3.47Å; E206-E210 PolarHBondContact O-N 3.38Å
207A96.3Very high94.3Very high54 Ų5484 Ų8445%0.44646%0.456SS..Hα-helixtrans-61.8-38.1176.300000112.3A203 E210 A211A203-A207 VanDerWaalsContact O-CB 3.26Å; A203-A207 WeakPolarHBondContact O-CB 3.31Å; A203-A207 PolarHBondContact O-N 3.33Å; A207-E210 PolarHBondContact O-N 2.86Å; A207-A211 VanDerWaalsContact O-CB 3.27Å; A207-A211 WeakPolarHBondContact O-CB 3.34Å; A207-A211 PolarHBondContact O-N 3.47Å
208N92.5Very high94Very high84 Ų8482.8 Ų82.845%0.44945%0.446SS..Hα-helixtrans-67.6-41174.5-177.220.3000111.5A204 L205 E206 A211 Q212A204-N208 VanDerWaalsContact O-CB 3.31Å; A204-N208 WeakPolarHBondContact O-CB 3.27Å; A204-N208 PolarHBondContact O-N 2.86Å; L205-N208 PolarHBondContact O-N 2.8Å; E206-N208 VanDerWaalsContact C-N 3.32Å; E206-N208 PolarHBondContact O-N 3.15Å; N208-A211 PolarHBondContact O-N 2.92Å; N208-Q212 WeakPolarHBondContact O-CB 3.28Å; N208-Q212 VanDerWaalsContact O-CG 3.28Å; N208-Q212 WeakPolarHBondContact O-CG 3.4Å; N208-Q212 PolarHBondContact O-N 2.82Å; N208-Q212 PolarHBondContact OD1-NE2 3.43Å; N208-Q212 VanDerWaalsContact OD1-NE2 3.08Å
209Q89.1Confident93.7Very high110 Ų11085.1 Ų85.151%0.51445%0.45SS..Hα-helixtrans-62.8-43.2174.4-74.2175.6-14.700111.4L205 E206 Q212 L213L205-Q209 WeakPolarHBondContact O-CG 3.26Å; L205-Q209 PolarHBondContact O-N 2.92Å; E206-Q209 WeakPolarHBondContact O-CB 3.39Å; E206-Q209 PolarHBondContact O-N 3.28Å; E206-Q209 VanDerWaalsContact O-N 3.15Å; Q209-Q212 PolarHBondContact O-N 2.79Å; Q209-L213 WeakPolarHBondContact O-CB 3.24Å; Q209-L213 PolarHBondContact O-N 3.08Å
210E91.5Very high93.5Very high122 Ų12282.8 Ų82.857%0.5743%0.432SS*.Hα-helixtrans-66.3-42.8177.7-175.7170.1-16400112E206 A207 Q212 L213 N214E206-E210 WeakPolarHBondContact O-CB 3.47Å; E206-E210 PolarHBondContact O-N 3.38Å; A207-E210 PolarHBondContact O-N 2.86Å; E210-Q212 PolarHBondContact O-N 2.93Å; E210-L213 PolarHBondContact O-N 3.36Å; E210-N214 WeakPolarHBondContact O-CB 3.38Å; E210-N214 PolarHBondContact O-N 3.45Å; E210-N214 PolarHBondContact O-ND2 2.89Å
211A93.9Very high93.4Very high58 Ų5874.8 Ų74.848%0.47940%0.397SS..Hα-helixtrans-62.9-41.9174.400000112A207 N208 L213 N214 S215A207-A211 VanDerWaalsContact O-CB 3.27Å; A207-A211 WeakPolarHBondContact O-CB 3.34Å; A207-A211 PolarHBondContact O-N 3.47Å; N208-A211 PolarHBondContact O-N 2.92Å; A211-L213 VanDerWaalsContact C-N 3.33Å; A211-N214 PolarHBondContact O-N 3.49Å; A211-S215 VanDerWaalsContact O-CB 3.24Å; A211-S215 WeakPolarHBondContact O-CB 3.34Å; A211-S215 PolarHBondContact O-N 3.49Å
212Q91Very high93.3Very high59 Ų5967.5 Ų67.528%0.27637%0.366SS..Hα-helixtrans-64.4-38.9174.9-76-177.528.700112.4N208 Q209 E210 R216N208-Q212 WeakPolarHBondContact O-CB 3.28Å; N208-Q212 VanDerWaalsContact O-CG 3.28Å; N208-Q212 WeakPolarHBondContact O-CG 3.4Å; N208-Q212 PolarHBondContact O-N 2.82Å; N208-Q212 PolarHBondContact OD1-NE2 3.43Å; N208-Q212 VanDerWaalsContact OD1-NE2 3.08Å; Q209-Q212 PolarHBondContact O-N 2.79Å; E210-Q212 PolarHBondContact O-N 2.93Å; Q212-R216 WeakPolarHBondContact O-CB 3.06Å; Q212-R216 PolarHBondContact O-N 2.94Å
213L92Very high93.3Very high9 Ų963 Ų635%0.04734%0.344CS..Hα-helixtrans-63.4-55.7174.5-178.7133.5000110.4Q209 E210 A211 S215 R216 M217 K337 W340 K341 L344Q209-L213 WeakPolarHBondContact O-CB 3.24Å; Q209-L213 PolarHBondContact O-N 3.08Å; E210-L213 PolarHBondContact O-N 3.36Å; A211-L213 VanDerWaalsContact C-N 3.33Å; L213-S215 VanDerWaalsContact C-N 3.25Å; L213-S215 PolarHBondContact O-N 3.39Å; L213-R216 PolarHBondContact O-N 3.27Å; L213-R216 VanDerWaalsContact O-N 3.11Å; L213-M217 HydrophobicContact CD2-CE 3.99Å; L213-M217 HydrophobicContact CD2-SD 4.01Å; L213-M217 HydrophobicContact CG-SD 4.5Å; L213-M217 WeakPolarHBondContact O-CB 3.37Å; L213-M217 PolarHBondContact O-N 3.49Å; L213-K337 WeakPolarHBondContact CD1-O 3.42Å; L213-K337 HydrophobicContact CD2-CG 4.32Å; L213-W340 HydrophobicContact CD1-CB 4.16Å; L213-K341 HydrophobicContact CD1-CB 4.43Å; L213-K341 HydrophobicContact CD1-CD 4.35Å; L213-K341 HydrophobicContact CD1-CG 3.37Å; L213-L344 HydrophobicContact CB-CD1 4.35Å
214N90.2Very high93.2Very high81 Ų8161.4 Ų61.443%0.43333%0.328SS..Hα-helixtrans-60.3-33.7-178.8-73.2-27.6000112.9E210 A211E210-N214 WeakPolarHBondContact O-CB 3.38Å; E210-N214 PolarHBondContact O-N 3.45Å; E210-N214 PolarHBondContact O-ND2 2.89Å; A211-N214 PolarHBondContact O-N 3.49Å
215S91.4Very high93.1Very high104 Ų10458.5 Ų58.573%0.72730%0.304SS*.Hα-helixtrans-74.7-26.9177.7175.40000114A211 L213A211-S215 VanDerWaalsContact O-CB 3.24Å; A211-S215 WeakPolarHBondContact O-CB 3.34Å; A211-S215 PolarHBondContact O-N 3.49Å; L213-S215 VanDerWaalsContact C-N 3.25Å; L213-S215 PolarHBondContact O-N 3.39Å
216R88.8Confident93.2Very high128 Ų12856.9 Ų56.948%0.48330%0.298SS..Hα-helixtrans-110.3-21.7-173.3-70.1-175.8170.3131.9-2114.2Q212 L213 W340 L344Q212-R216 WeakPolarHBondContact O-CB 3.06Å; Q212-R216 PolarHBondContact O-N 2.94Å; L213-R216 PolarHBondContact O-N 3.27Å; L213-R216 VanDerWaalsContact O-N 3.11Å; R216-W340 WeakPolarHBondContact O-CH2 3.43Å; R216-W340 VanDerWaalsContact O-CZ3 3.25Å; R216-W340 WeakPolarHBondContact O-CZ3 3.34Å; R216-L344 HydrophobicContact CB-CD1 4.22Å; R216-L344 HydrophobicContact CB-CD2 3.79Å; R216-L344 HydrophobicContact CG-CD2 4.21Å
217M91Very high93.2Very high21 Ų2153.8 Ų53.810%0.10329%0.292CS..  trans-67.8131.7176.5176.2165.781.500109.9L213 R219 E336 K337 W340L213-M217 HydrophobicContact CD2-CE 3.99Å; L213-M217 HydrophobicContact CD2-SD 4.01Å; L213-M217 HydrophobicContact CG-SD 4.5Å; L213-M217 WeakPolarHBondContact O-CB 3.37Å; L213-M217 PolarHBondContact O-N 3.49Å; M217-R219 HydrophobicContact CE-CG 4.05Å; M217-E336 HydrophobicContact SD-CG 4.39Å; M217-K337 HydrophobicContact CE-CG 4.19Å; M217-K337 HydrophobicContact SD-CG 4.07Å; M217-W340 HydrophobicContact CB-CB 4.45Å; M217-W340 HydrophobicContact CB-CD2 4.04Å; M217-W340 HydrophobicContact CB-CG 3.99Å; M217-W340 HydrophobicContact CG-CB 4.44Å; M217-W340 HydrophobicContact CG-CD2 4.02Å; M217-W340 HydrophobicContact CG-CG 3.73Å; M217-W340 HydrophobicContact SD-CB 4.32Å; M217-W340 VanDerWaalsContact SD-CD1 3.57Å; M217-W340 HydrophobicContact SD-CG 4.04Å
218V91.8Very high92.9Very high29 Ų2951.6 Ų51.618%0.17627%0.272CS..  trans-111.2107172.1-1740000106.1A221 P300 W340V218-A221 HydrophobicContact CB-CB 3.89Å; V218-A221 HydrophobicContact CG1-CB 3.72Å; V218-A221 VanDerWaalsContact O-CB 3.24Å; V218-A221 WeakPolarHBondContact O-CB 3.31Å; V218-A221 PolarHBondContact O-N 3.23Å; V218-P300 HydrophobicContact CG1-CB 4.06Å; V218-W340 HydrophobicContact CB-CH2 4.24Å; V218-W340 HydrophobicContact CB-CZ2 4.02Å; V218-W340 HydrophobicContact CG2-CH2 4.15Å; V218-W340 HydrophobicContact CG2-CZ2 4.44Å
219R92.6Very high92.6Very high161 Ų16148.7 Ų48.761%0.60826%0.258SS*.THydrogen-bonded Turntrans-65.1141.6-174.2-68.4-176.5-178.8178.8-0.2111.5M217 A221 P300 D301 E336M217-R219 HydrophobicContact CE-CG 4.05Å; R219-A221 PolarHBondContact O-N 2.93Å; R219-P300 CarbonylContact O-C 3.51Å; R219-P300 WeakPolarHBondContact O-CA 3.16Å; R219-P300 WeakPolarHBondContact O-CB 3.33Å; R219-D301 PolarHBondContact O-N 3.18Å; R219-E336 WeakPolarHBondContact CA-OE1 3.4Å
220G94Very high91.9Very high10 Ų1050.4 Ų50.410%0.10327%0.266CS..THydrogen-bonded Turntrans65.720.8178.400000113.5D301 T302 A303 E336G220-D301 CarbonylContact O-C 3.55Å; G220-D301 WeakPolarHBondContact O-CA 3.45Å; G220-D301 PolarHBondContact O-N 2.75Å; G220-T302 PolarHBondContact O-N 2.81Å; G220-A303 VanDerWaalsContact O-CB 3.27Å; G220-A303 WeakPolarHBondContact O-CB 3.26Å; G220-A303 PolarHBondContact O-N 2.8Å; G220-E336 PolarHBondContact N-OE1 3.33Å; G220-E336 PolarHBondContact N-OE2 3.37Å
221A95.2Very high90.6Very high0 Ų046.4 Ų46.40%025%0.254CS..  trans-107.62.2-176.500000113.8V218 R219 R296 F297 Q299V218-A221 HydrophobicContact CB-CB 3.89Å; V218-A221 HydrophobicContact CG1-CB 3.72Å; V218-A221 VanDerWaalsContact O-CB 3.24Å; V218-A221 WeakPolarHBondContact O-CB 3.31Å; V218-A221 PolarHBondContact O-N 3.23Å; R219-A221 PolarHBondContact O-N 2.93Å; A221-R296 WeakPolarHBondContact O-CA 3.44Å; A221-F297 HydrophobicContact CB-CB 4.31Å; A221-F297 WeakPolarHBondContact O-CD2 3.11Å; A221-F297 PolarHBondContact O-N 2.84Å; A221-Q299 WeakPolarHBondContact CB-O 3.36Å
222L96.6Very high88.6Confident0 Ų049 Ų490%026%0.264CS..EExtended strand (participates in β ladder)trans-105.2118.2178.8-62.5-172.8000111.2I294 R296 A303 I331 E336 Q339 W340 I343L222-I294 HydrophobicContact CB-CG2 4.48Å; L222-I294 HydrophobicContact CD2-CG2 4.12Å; L222-R296 HydrophobicContact CD2-CB 3.82Å; L222-R296 HydrophobicContact CD2-CG 3.81Å; L222-A303 WeakPolarHBondContact O-CB 3.33Å; L222-I331 HydrophobicContact CB-CB 4.05Å; L222-I331 HydrophobicContact CB-CD1 4.32Å; L222-I331 HydrophobicContact CB-CG1 4.37Å; L222-I331 PolarHBondContact O-N 2.82Å; L222-E336 HydrophobicContact CD1-CG 4.17Å; L222-Q339 HydrophobicContact CD1-CB 3.9Å; L222-W340 HydrophobicContact CD2-CZ2 4.28Å; L222-I343 HydrophobicContact CD2-CD1 4.43Å
223L97.1Very high86.5Confident0 Ų055 Ų550%029%0.289CS..EExtended strand (participates in β ladder)trans-112.8117.2171177.264.6000108.4I225 I295 F297 A303 W307 L310 V330L223-I225 HydrophobicContact CD2-CG2 4.35Å; L223-I225 HydrophobicContact CG-CG2 4.25Å; L223-I295 HydrophobicContact CB-CB 4.41Å; L223-I295 HydrophobicContact CD2-CD1 4.26Å; L223-I295 PolarHBondContact N-O 2.9Å; L223-I295 PolarHBondContact O-N 2.99Å; L223-F297 HydrophobicContact CB-CE2 3.83Å; L223-F297 HydrophobicContact CD2-CE2 4.25Å; L223-F297 HydrophobicContact CD2-CZ 4.4Å; L223-A303 HydrophobicContact CB-CB 3.98Å; L223-W307 HydrophobicContact CD1-CB 3.88Å; L223-W307 HydrophobicContact CD1-CG 4.24Å; L223-W307 HydrophobicContact CD2-CB 4.24Å; L223-W307 HydrophobicContact CD2-CE3 4.3Å; L223-L310 HydrophobicContact CD2-CD1 4.44Å; L223-V330 HydrophobicContact CD1-CG2 4.33Å
224E97.1Very high84Confident20 Ų2062.8 Ų62.89%0.09332%0.322CS..EExtended strand (participates in β ladder)trans-82.2132.1167.3-172.7-179.865.900108.9V226 A293 G328 R329 I331E224-V226 HydrophobicContact CG-CG2 4.08Å; E224-A293 WeakPolarHBondContact CA-O 3.49Å; E224-G328 CarbonylContact O-C 3.57Å; E224-G328 VanDerWaalsContact O-CA 3.26Å; E224-G328 WeakPolarHBondContact O-CA 3.2Å; E224-R329 HydrophobicContact CB-CB 4.48Å; E224-R329 VanDerWaalsContact CD-NH2 3.3Å; E224-R329 PolarHBondContact N-O 2.94Å; E224-R329 PolarHBondContact O-N 3.1Å; E224-R329 IonicContact OE1-CZ 3.82Å; E224-R329 IonicContact OE1-NE 4Å; E224-R329 PolarHBondContact OE1-NE 2.83Å; E224-R329 IonicContact OE1-NH2 2.76Å; E224-R329 PolarHBondContact OE1-NH2 3.24Å; E224-R329 IonicContact OE2-NH2 2.75Å; E224-R329 PolarHBondContact OE2-NH2 3.35Å; E224-I331 HydrophobicContact CB-CD1 4.03Å; E224-I331 HydrophobicContact CB-CG1 3.98Å
225I95.9Very high81.4Confident0 Ų065.5 Ų65.50%034%0.337CS..EExtended strand (participates in β ladder)trans-118135.9166.754.6164.7000109.3L223 L228 L267 K292 A293 I295 W307 L326 S327L223-I225 HydrophobicContact CD2-CG2 4.35Å; L223-I225 HydrophobicContact CG-CG2 4.25Å; I225-L228 HydrophobicContact CD1-CD1 4.32Å; I225-L228 HydrophobicContact CD1-CD2 4.03Å; I225-L228 HydrophobicContact CD1-CG 4.33Å; I225-L267 HydrophobicContact CD1-CD1 4.05Å; I225-L267 HydrophobicContact CD1-CD2 3.99Å; I225-K292 CarbonylContact O-C 3.55Å; I225-K292 VanDerWaalsContact O-CA 3.28Å; I225-K292 WeakPolarHBondContact O-CA 3.39Å; I225-A293 HydrophobicContact CD1-CB 4.13Å; I225-A293 HydrophobicContact CG1-CB 3.85Å; I225-A293 WeakPolarHBondContact CG1-O 3.39Å; I225-A293 PolarHBondContact N-O 2.87Å; I225-A293 PolarHBondContact O-N 3.03Å; I225-I295 HydrophobicContact CD1-CD1 3.83Å; I225-I295 HydrophobicContact CD1-CG1 4.45Å; I225-I295 HydrophobicContact CG1-CD1 4.01Å; I225-I295 HydrophobicContact CG1-CG1 4.45Å; I225-I295 HydrophobicContact CG2-CD1 4.01Å; I225-W307 HydrophobicContact CG2-CZ3 4.39Å; I225-L326 HydrophobicContact CD1-CD1 4.39Å; I225-S327 CarbonylContact C-O 3.41Å; I225-S327 WeakPolarHBondContact CA-O 3.43Å
226V95.5Very high79Confident49 Ų4966.3 Ų66.330%0.29733%0.333SS..EExtended strand (participates in β ladder)trans-125.1146.6-178.8-174.10000108.3E224 K292 L326 S327E224-V226 HydrophobicContact CG-CG2 4.08Å; V226-K292 HydrophobicContact CB-CG 4.34Å; V226-K292 HydrophobicContact CG1-CG 4.07Å; V226-K292 HydrophobicContact CG2-CD 4.19Å; V226-K292 HydrophobicContact CG2-CG 3.98Å; V226-L326 WeakPolarHBondContact O-CA 3.29Å; V226-S327 PolarHBondContact N-O 3.12Å; V226-S327 PolarHBondContact O-N 3.18Å
227G93.4Very high76.3Confident31 Ų3165.2 Ų65.232%0.3235%0.345SS..  trans101.316.3-177.500000113.3G291 S324 L326G227-G291 PolarHBondContact N-O 3.29Å; G227-S324 WeakPolarHBondContact O-CB 3.49Å; G227-L326 WeakPolarHBondContact O-CD2 3.48Å
228L90.7Very high73.6Confident7 Ų770.4 Ų70.44%0.03738%0.378CS..PPolyproline II helixtrans-64140.9170.6-68.8175.1000109.8I225 E230 P262 L267 V286 G291 A293 Y321 L326I225-L228 HydrophobicContact CD1-CD1 4.32Å; I225-L228 HydrophobicContact CD1-CD2 4.03Å; I225-L228 HydrophobicContact CD1-CG 4.33Å; L228-E230 PolarHBondContact O-N 3.44Å; L228-P262 HydrophobicContact CB-CB 4.43Å; L228-P262 HydrophobicContact CB-CG 4.2Å; L228-P262 HydrophobicContact CD1-CB 4.43Å; L228-P262 HydrophobicContact CD2-CB 4.3Å; L228-L267 HydrophobicContact CD1-CD2 4.09Å; L228-L267 HydrophobicContact CD2-CD1 4.07Å; L228-L267 HydrophobicContact CD2-CD2 4.38Å; L228-V286 HydrophobicContact CD1-CG1 4.25Å; L228-G291 PolarHBondContact N-O 2.8Å; L228-G291 WeakPolarHBondContact O-CA 3.45Å; L228-A293 HydrophobicContact CD1-CB 3.51Å; L228-Y321 HydrophobicContact CD2-CD1 3.72Å; L228-Y321 HydrophobicContact CD2-CE1 4.18Å; L228-L326 HydrophobicContact CD2-CD2 4Å; L228-L326 HydrophobicContact CG-CD2 4.44Å
229P86.7Confident70.6Confident23 Ų2377.9 Ų77.915%0.14941%0.411CS..PPolyproline II helixtrans-60.8135.1179.812.4-16.3000110.5A231 P262 L322P229-A231 PolarHBondContact O-N 3.05Å; P229-P262 HydrophobicContact CG-CG 4.4Å; P229-P262 WeakPolarHBondContact O-CD 3.37Å; P229-P262 VanDerWaalsContact O-CG 3.22Å; P229-P262 WeakPolarHBondContact O-CG 3.49Å; P229-L322 HydrophobicContact CG-CB 3.88Å; P229-L322 HydrophobicContact CG-CD1 4.14Å
230E74.2Confident67.6Low147 Ų14773.3 Ų73.369%0.68741%0.414SS*.PPolyproline II helixtrans-60134.4176.4-68.9-173.4175.300109.6L228 T232L228-E230 PolarHBondContact O-N 3.44Å; E230-T232 PolarHBondContact O-N 3.25Å
231A64.6Low64.6Low38 Ų3882.2 Ų82.231%0.31445%0.453SS..  trans-65.791.2166.500000107.1P229 K233 V261 P288P229-A231 PolarHBondContact O-N 3.05Å; A231-K233 PolarHBondContact O-N 3.09Å; A231-V261 HydrophobicContact CB-CG1 3.6Å; A231-P288 HydrophobicContact CB-CB 4.17Å
232T51.8Low61.3Low111 Ų11190.3 Ų90.368%0.68150%0.496SS*.  trans-56.8108.3173.344.90000107E230 K234E230-T232 PolarHBondContact O-N 3.25Å; T232-K234 PolarHBondContact O-N 3.41Å
233K45.7Very low58.3Low186 Ų18694.6 Ų94.681%0.80953%0.532SS*.  trans-6493163.5-73.1-177.2-179.81760104.7A231 N235A231-K233 PolarHBondContact O-N 3.09Å; K233-N235 PolarHBondContact O-N 3.39Å
234K39.7Very low54.9Low172 Ų172101.3 Ų101.375%0.74857%0.573SS**  trans-58.599.8160.5-90.8-174.2174.4-179.60105.8T232 D236T232-K234 PolarHBondContact O-N 3.41Å; K234-D236 PolarHBondContact O-N 3.09Å
235N35.6Very low51.8Low139 Ų139107 Ų10774%0.74361%0.609SS**  trans-64.169.2159.8-77.2-17.7000107.2K233 S237K233-N235 PolarHBondContact O-N 3.39Å; N235-S237 PolarHBondContact O-N 3.39Å
236D41.1Very low48.6Very low121 Ų121115.1 Ų115.165%0.64765%0.647SS**  trans-89.873.3160.3-70.6-22.3000105.5K234 V238K234-D236 PolarHBondContact O-N 3.09Å; D236-V238 PolarHBondContact O-N 3.13Å
237S31.8Very low45.3Very low105 Ų105121.9 Ų121.973%0.73468%0.675SS**  trans-5988.4157.437.40000107.7N235N235-S237 PolarHBondContact O-N 3.39Å
238V34Very low42.2Very low130 Ų130125.9 Ų125.979%0.78870%0.699SS**  trans-109.591.6159.2-174.10000106D236D236-V238 PolarHBondContact O-N 3.13Å
239E30.1Very low39.1Very low185 Ų185136 Ų13686%0.86474%0.742SS**  trans-52.7137.7156.7-61.7174.1148.700108.8
240G28.4Very low36.2Very low66 Ų66143.4 Ų143.468%0.6878%0.775SS**  trans14097.516000000115.9
241E31.2Very low33.8Very low196 Ų196142.2 Ų142.292%0.91678%0.783SS**  trans84.2104135.2-63-178.1160.800120
242D26.5Very low31.9Very low171 Ų171144.4 Ų144.491%0.91480%0.796SS**  trans-26.9122.1144.5-83.8-47.4000114.6
243A33.9Very low30.6Very low90 Ų90145.9 Ų145.974%0.74480%0.804SS**  trans-161.4112138.800000110.4T245A243-T245 PolarHBondContact O-N 3.24Å
244T25.9Very low29.8Very low141 Ų141143.6 Ų143.687%0.86580%0.801SS**  trans-48.1126.3161.444.10000112
245T30.4Very low29.2Very low139 Ų139138.9 Ų138.985%0.85380%0.801SS**  trans-147.5132.8153.8-55.50000109.8A243A243-T245 PolarHBondContact O-N 3.24Å
246E30.2Very low29Very low171 Ų171135.2 Ų135.280%0.79980%0.797SS**  trans-71151.8-172-66173.4138.800113.8
247E25.9Very low28.8Very low190 Ų190138.6 Ų138.689%0.88881%0.805SS**  trans34.799.6143.4-61.6-170.3156.700118.7
248S28.8Very low29.3Very low116 Ų116141 Ų14181%0.81181%0.81SS**  trans-144.1112.8142.6-100000109.2E250S248-E250 PolarHBondContact O-N 3.36Å; S248-E250 VanDerWaalsContact O-N 3.12Å
249K24.9Very low30.1Very low220 Ų220137.6 Ų137.696%0.95779%0.792SS**  trans-64.4103.1164.7-81175.2174.9170.50107.9
250E25.7Very low31.6Very low177 Ų177136.5 Ų136.583%0.82779%0.787SS**  trans-129.6124.7157.5-119171.7-168.300109.6S248 S252S248-E250 PolarHBondContact O-N 3.36Å; S248-E250 VanDerWaalsContact O-N 3.12Å; E250-S252 VanDerWaalsContact C-N 3.29Å; E250-S252 PolarHBondContact O-N 2.84Å
251S23.4Very low33.6Very low122 Ų122135.9 Ų135.985%0.85377%0.77SS**  trans-58.786.6173.149.20000109.9
252S25.4Very low35.5Very low85 Ų85126.8 Ų126.859%0.59473%0.728SS**  trans-97.1101.6163.6-1660000108.7E250 N254E250-S252 VanDerWaalsContact C-N 3.29Å; E250-S252 PolarHBondContact O-N 2.84Å; S252-N254 PolarHBondContact O-N 3.24Å; S252-N254 PolarHBondContact OG-OD1 3.11Å; S252-N254 VanDerWaalsContact OG-OD1 3.12Å
253V25Very low38.2Very low141 Ų141121.1 Ų121.186%0.85570%0.699SS**  trans-63.371.8156.6179.90000106.3G255V253-G255 PolarHBondContact O-N 3.48Å
254N28.8Very low40.7Very low138 Ų138120.2 Ų120.274%0.73869%0.685SS**  trans-74.489.7166.5-95.2-2.6000105.6S252 G256S252-N254 PolarHBondContact O-N 3.24Å; S252-N254 PolarHBondContact OG-OD1 3.11Å; S252-N254 VanDerWaalsContact OG-OD1 3.12Å; N254-G256 PolarHBondContact O-N 2.79Å
255G27.1Very low43.7Very low73 Ų73120.1 Ų120.175%0.75368%0.676SS**  trans-60.667.7156.300000108.6V253 K257V253-G255 PolarHBondContact O-N 3.48Å; G255-K257 PolarHBondContact O-N 3.22Å
256G31Very low46.5Very low63 Ų63115.2 Ų115.265%0.64964%0.644SS**  trans-63.889.5-178.100000108.4N254 D258N254-G256 PolarHBondContact O-N 2.79Å; G256-D258 PolarHBondContact O-N 3.43Å
257K36.5Very low49.3Very low191 Ų191107 Ų10783%0.8361%0.606SS**  trans21.6103.2141.6-108.1171173.81730111.5G255 S259G255-K257 PolarHBondContact O-N 3.22Å; K257-S259 VanDerWaalsContact C-N 3.33Å; K257-S259 PolarHBondContact O-N 2.96Å
258D43.3Very low52.4Low155 Ų155101.5 Ų101.583%0.82958%0.579SS**  trans-2.188.3158.4-58.5-44.4000110.9G256 E260G256-D258 PolarHBondContact O-N 3.43Å; D258-E260 VanDerWaalsContact C-N 3.26Å; D258-E260 PolarHBondContact O-N 3.39Å
259S49.1Very low55.4Low59 Ų59101.2 Ų101.241%0.41357%0.565SS.*  trans-63.7104.1170.125.70000103.9K257 V261 N266K257-S259 VanDerWaalsContact C-N 3.33Å; K257-S259 PolarHBondContact O-N 2.96Å; S259-V261 PolarHBondContact O-N 2.97Å; S259-N266 PolarHBondContact O-ND2 3.49Å; S259-N266 PolarHBondContact OG-ND2 3.28Å
260E63Low58.6Low163 Ų16392 Ų9276%0.76252%0.524SS*.  trans-607.3176.5-66.9178.2164.900112.5D258 L322D258-E260 VanDerWaalsContact C-N 3.26Å; D258-E260 PolarHBondContact O-N 3.39Å; E260-L322 WeakPolarHBondContact O-CD1 3.41Å
261V68.7Low61.7Low53 Ų5383.5 Ų83.532%0.32149%0.485SS..SBendtrans-95.6132177.9-174.30000109.3A231 S259 T263A231-V261 HydrophobicContact CB-CG1 3.6Å; S259-V261 PolarHBondContact O-N 2.97Å; V261-T263 PolarHBondContact O-N 2.93Å
262P71.2Confident64.9Low5 Ų582 Ų823%0.03247%0.467CS..  trans-64.693.2172.524-30.7000110.1L228 P229 Y321L228-P262 HydrophobicContact CB-CB 4.43Å; L228-P262 HydrophobicContact CB-CG 4.2Å; L228-P262 HydrophobicContact CD1-CB 4.43Å; L228-P262 HydrophobicContact CD2-CB 4.3Å; P229-P262 HydrophobicContact CG-CG 4.4Å; P229-P262 WeakPolarHBondContact O-CD 3.37Å; P229-P262 VanDerWaalsContact O-CG 3.22Å; P229-P262 WeakPolarHBondContact O-CG 3.49Å; P262-Y321 HydrophobicContact CB-CE1 3.93Å
263T84.1Confident68Low51 Ų5184 Ų8431%0.31347%0.467SS..  trans-86.7153.3167.770.50000110V261 M265 N266 L267V261-T263 PolarHBondContact O-N 2.93Å; T263-M265 PolarHBondContact O-N 3.37Å; T263-M265 VanDerWaalsContact O-N 3.1Å; T263-N266 PolarHBondContact O-N 3.39Å; T263-N266 WeakPolarHBondContact OG1-CB 3.39Å; T263-N266 PolarHBondContact OG1-N 3.05Å; T263-N266 VanDerWaalsContact OG1-N 3.12Å; T263-N266 PolarHBondContact OG1-ND2 3.27Å; T263-N266 PolarHBondContact OG1-OD1 3.27Å; T263-L267 WeakPolarHBondContact O-CB 3.44Å; T263-L267 PolarHBondContact O-N 3.46Å
264V87Confident71.1Confident72 Ų7281.3 Ų81.344%0.43644%0.444SS..Hα-helixtrans-51.5-35.8173.6173.60000111.4K268 I284 V286V264-K268 WeakPolarHBondContact O-CB 3.43Å; V264-K268 PolarHBondContact O-N 3.45Å; V264-K268 VanDerWaalsContact O-N 3.12Å; V264-I284 HydrophobicContact CG1-CB 4.35Å; V264-V286 HydrophobicContact CG2-CB 4.38Å; V264-V286 HydrophobicContact CG2-CG2 3.81Å
265M88.7Confident74Confident138 Ų13875.2 Ų75.268%0.6841%0.411SS*.Hα-helixtrans-71.3-51.3179.7-170.9178.572.600111.8T263 L267 K268 Q269T263-M265 PolarHBondContact O-N 3.37Å; T263-M265 VanDerWaalsContact O-N 3.1Å; M265-L267 VanDerWaalsContact C-N 3.34Å; M265-L267 PolarHBondContact O-N 2.88Å; M265-K268 PolarHBondContact O-N 3.37Å; M265-Q269 PolarHBondContact O-N 2.98Å
266N88.9Confident76.6Confident36 Ų3675.6 Ų75.619%0.19340%0.396CS..Hα-helixtrans-62.9-42.8-178.7-63.1-3.1000111S259 T263 Q269 W270 Y321S259-N266 PolarHBondContact O-ND2 3.49Å; S259-N266 PolarHBondContact OG-ND2 3.28Å; T263-N266 PolarHBondContact O-N 3.39Å; T263-N266 WeakPolarHBondContact OG1-CB 3.39Å; T263-N266 PolarHBondContact OG1-N 3.05Å; T263-N266 VanDerWaalsContact OG1-N 3.12Å; T263-N266 PolarHBondContact OG1-ND2 3.27Å; T263-N266 PolarHBondContact OG1-OD1 3.27Å; N266-Q269 PolarHBondContact O-N 3.18Å; N266-W270 PolarHBondContact O-N 3.44Å; N266-Y321 WeakPolarHBondContact CB-OH 3.31Å
267L89.9Confident79Confident0 Ų078.5 Ų78.50%041%0.406CS..Hα-helixtrans-67-37.8178.6-172.961.7000111.7I225 L228 T263 M265 W270 L271 I284 V286 A293 Y321I225-L267 HydrophobicContact CD1-CD1 4.05Å; I225-L267 HydrophobicContact CD1-CD2 3.99Å; L228-L267 HydrophobicContact CD1-CD2 4.09Å; L228-L267 HydrophobicContact CD2-CD1 4.07Å; L228-L267 HydrophobicContact CD2-CD2 4.38Å; T263-L267 WeakPolarHBondContact O-CB 3.44Å; T263-L267 PolarHBondContact O-N 3.46Å; M265-L267 VanDerWaalsContact C-N 3.34Å; M265-L267 PolarHBondContact O-N 2.88Å; L267-W270 HydrophobicContact CD1-CE3 3.85Å; L267-W270 HydrophobicContact CD1-CZ3 4.24Å; L267-L271 HydrophobicContact CG-CD1 4.5Å; L267-L271 WeakPolarHBondContact O-CB 3.26Å; L267-L271 VanDerWaalsContact O-CG 3.29Å; L267-L271 WeakPolarHBondContact O-CG 3.32Å; L267-L271 PolarHBondContact O-N 2.95Å; L267-I284 HydrophobicContact CB-CD1 4.18Å; L267-I284 HydrophobicContact CD2-CD1 4.27Å; L267-I284 HydrophobicContact CD2-CG2 3.78Å; L267-I284 HydrophobicContact CG-CD1 4Å; L267-V286 HydrophobicContact CD2-CG2 4.08Å; L267-A293 HydrophobicContact CD2-CB 3.79Å; L267-Y321 HydrophobicContact CD1-CD1 4.26Å; L267-Y321 HydrophobicContact CD1-CD2 4.42Å; L267-Y321 HydrophobicContact CD1-CE1 4.12Å; L267-Y321 HydrophobicContact CD1-CE2 4.3Å; L267-Y321 HydrophobicContact CD1-CG 4.4Å
268K90.7Very high81.3Confident73 Ų7372.2 Ų72.232%0.31739%0.386SS..Hα-helixtrans-67-37.8175.1-174.9168.9-179.6170.50112.4V264 M265 N272 V281 G282 I284V264-K268 WeakPolarHBondContact O-CB 3.43Å; V264-K268 PolarHBondContact O-N 3.45Å; V264-K268 VanDerWaalsContact O-N 3.12Å; M265-K268 PolarHBondContact O-N 3.37Å; K268-N272 VanDerWaalsContact O-CG 3.24Å; K268-N272 PolarHBondContact O-N 2.93Å; K268-N272 VanDerWaalsContact O-N 3.09Å; K268-N272 PolarHBondContact O-ND2 2.96Å; K268-N272 VanDerWaalsContact O-ND2 3.17Å; K268-V281 HydrophobicContact CG-CG1 4.35Å; K268-G282 PolarHBondContact NZ-O 2.98Å; K268-G282 VanDerWaalsContact NZ-O 3.1Å; K268-I284 HydrophobicContact CB-CD1 3.68Å; K268-I284 HydrophobicContact CG-CD1 4.42Å
269Q90.6Very high83.4Confident110 Ų11065 Ų6551%0.51435%0.348SS..Hα-helixtrans-63.8-51.6174.7-177.3179.3-19.700110.7M265 N266 L271 N272 E273M265-Q269 PolarHBondContact O-N 2.98Å; N266-Q269 PolarHBondContact O-N 3.18Å; Q269-L271 VanDerWaalsContact C-N 3.3Å; Q269-L271 PolarHBondContact O-N 3.43Å; Q269-N272 PolarHBondContact O-N 3.34Å; Q269-E273 WeakPolarHBondContact CG-OE1 3.44Å; Q269-E273 PolarHBondContact NE2-OE1 3.47Å; Q269-E273 PolarHBondContact O-N 3.27Å
270W92Very high85.3Confident26 Ų2663.8 Ų63.810%0.09834%0.339CS..Hα-helixtrans-56.1-43.1177.2173.681.3000112.5N266 L267 N272 E273 K274 L310 F314 V319 Y321 L326N266-W270 PolarHBondContact O-N 3.44Å; L267-W270 HydrophobicContact CD1-CE3 3.85Å; L267-W270 HydrophobicContact CD1-CZ3 4.24Å; W270-N272 PolarHBondContact O-N 3.22Å; W270-E273 PolarHBondContact O-N 3.47Å; W270-K274 HydrophobicContact CD2-CG 4.4Å; W270-K274 HydrophobicContact CZ2-CG 4.31Å; W270-K274 WeakPolarHBondContact O-CG 3.25Å; W270-K274 PolarHBondContact O-N 3.27Å; W270-L310 HydrophobicContact CH2-CD2 3.87Å; W270-L310 HydrophobicContact CZ2-CD2 4.33Å; W270-L310 HydrophobicContact CZ3-CD2 4.32Å; W270-F314 HydrophobicContact CZ2-CE2 4.28Å; W270-F314 HydrophobicContact CZ2-CZ 4.17Å; W270-V319 HydrophobicContact CH2-CG1 4.07Å; W270-V319 HydrophobicContact CZ2-CG1 4.27Å; W270-Y321 HydrophobicContact CB-CD2 4.02Å; W270-Y321 HydrophobicContact CB-CE2 3.68Å; W270-Y321 AromaticContact CD1-CD2 3.73Å; W270-Y321 AromaticContact CD2-CD2 3.53Å; W270-Y321 HydrophobicContact CD2-CD2 3.53Å; W270-Y321 HydrophobicContact CD2-CE2 4.12Å; W270-Y321 HydrophobicContact CD2-CG 4.37Å; W270-Y321 AromaticContact CE2-CD2 3.82Å; W270-Y321 HydrophobicContact CE3-CD2 4.04Å; W270-Y321 AromaticContact CG-CD2 3.49Å; W270-Y321 HydrophobicContact CG-CD2 3.49Å; W270-Y321 VanDerWaalsContact CG-CD2 3.49Å; W270-Y321 AromaticContact CG-CE2 3.7Å; W270-Y321 HydrophobicContact CG-CE2 3.7Å; W270-Y321 AromaticContact NE1-CD2 3.88Å; W270-L326 HydrophobicContact CH2-CD1 3.73Å; W270-L326 HydrophobicContact CZ2-CD1 4.44Å; W270-L326 HydrophobicContact CZ3-CD1 4.14Å
271L92.1Very high86.7Confident0 Ų056.4 Ų56.40%031%0.305CS..Hα-helixtrans-61.8-42.4175.1-74.3169.2000112.4L267 Q269 E273 K274 L275 V281 I284 I295 L310L267-L271 HydrophobicContact CG-CD1 4.5Å; L267-L271 WeakPolarHBondContact O-CB 3.26Å; L267-L271 VanDerWaalsContact O-CG 3.29Å; L267-L271 WeakPolarHBondContact O-CG 3.32Å; L267-L271 PolarHBondContact O-N 2.95Å; Q269-L271 VanDerWaalsContact C-N 3.3Å; Q269-L271 PolarHBondContact O-N 3.43Å; L271-E273 VanDerWaalsContact C-N 3.26Å; L271-E273 PolarHBondContact O-N 2.92Å; L271-K274 PolarHBondContact O-N 3.21Å; L271-L275 HydrophobicContact CB-CD1 4.36Å; L271-L275 HydrophobicContact CD2-CD1 4.09Å; L271-L275 WeakPolarHBondContact O-CA 3.42Å; L271-L275 WeakPolarHBondContact O-CB 3.44Å; L271-L275 VanDerWaalsContact O-CG 3.31Å; L271-L275 WeakPolarHBondContact O-CG 3.36Å; L271-L275 PolarHBondContact O-N 2.94Å; L271-V281 HydrophobicContact CB-CG2 4.14Å; L271-V281 HydrophobicContact CD1-CG2 4.33Å; L271-I284 HydrophobicContact CD1-CD1 3.56Å; L271-I284 HydrophobicContact CD1-CG1 4.35Å; L271-I295 HydrophobicContact CD1-CB 4.49Å; L271-I295 HydrophobicContact CD1-CD1 3.49Å; L271-I295 VanDerWaalsContact CD1-CD1 3.49Å; L271-I295 HydrophobicContact CD1-CG1 3.76Å; L271-I295 HydrophobicContact CD1-CG2 3.89Å; L271-I295 HydrophobicContact CD2-CD1 3.84Å; L271-I295 HydrophobicContact CG-CD1 4.28Å; L271-L310 HydrophobicContact CD2-CD1 4.14Å
272N90Very high87.6Confident89 Ų8954.7 Ų54.748%0.47630%0.298SS..Hα-helixtrans-70.5-21.4178.8-69-29.3000113.4K268 Q269 W270K268-N272 VanDerWaalsContact O-CG 3.24Å; K268-N272 PolarHBondContact O-N 2.93Å; K268-N272 VanDerWaalsContact O-N 3.09Å; K268-N272 PolarHBondContact O-ND2 2.96Å; K268-N272 VanDerWaalsContact O-ND2 3.17Å; Q269-N272 PolarHBondContact O-N 3.34Å; W270-N272 PolarHBondContact O-N 3.22Å
273E90.3Very high88.5Confident129 Ų12957.9 Ų57.960%0.60331%0.31SS*.Hα-helixtrans-80.1-38.2173.4-71.5171.3-170.800111.5Q269 W270 L271Q269-E273 WeakPolarHBondContact CG-OE1 3.44Å; Q269-E273 PolarHBondContact NE2-OE1 3.47Å; Q269-E273 PolarHBondContact O-N 3.27Å; W270-E273 PolarHBondContact O-N 3.47Å; L271-E273 VanDerWaalsContact C-N 3.26Å; L271-E273 PolarHBondContact O-N 2.92Å
274K90.8Very high88.9Confident84 Ų8455.8 Ų55.837%0.36530%0.296SS..Hα-helixtrans-85.4-24-179.1-65.1-59.9-176.3179.10114W270 L271 L310 F314W270-K274 HydrophobicContact CD2-CG 4.4Å; W270-K274 HydrophobicContact CZ2-CG 4.31Å; W270-K274 WeakPolarHBondContact O-CG 3.25Å; W270-K274 PolarHBondContact O-N 3.27Å; L271-K274 PolarHBondContact O-N 3.21Å; K274-L310 HydrophobicContact CB-CD2 3.69Å; K274-L310 HydrophobicContact CG-CD2 4.41Å; K274-F314 HydrophobicContact CD-CE2 4.23Å
275L89.7Confident89Confident9 Ų955.9 Ų55.95%0.04729%0.294CS..SBendtrans-108.6142.5179.2-62.1176.2000110.4L271 T279 F297 A306 K309 L310L271-L275 HydrophobicContact CB-CD1 4.36Å; L271-L275 HydrophobicContact CD2-CD1 4.09Å; L271-L275 WeakPolarHBondContact O-CA 3.42Å; L271-L275 WeakPolarHBondContact O-CB 3.44Å; L271-L275 VanDerWaalsContact O-CG 3.31Å; L271-L275 WeakPolarHBondContact O-CG 3.36Å; L271-L275 PolarHBondContact O-N 2.94Å; L275-T279 VanDerWaalsContact CB-OG1 3.31Å; L275-T279 WeakPolarHBondContact CB-OG1 3.37Å; L275-F297 HydrophobicContact CD1-CE1 3.87Å; L275-F297 HydrophobicContact CD1-CZ 4.15Å; L275-A306 HydrophobicContact CD1-CB 4.08Å; L275-A306 HydrophobicContact CD2-CB 4.17Å; L275-A306 WeakPolarHBondContact CD2-O 3.28Å; L275-K309 HydrophobicContact CD2-CB 3.9Å; L275-L310 HydrophobicContact CD2-CD2 4.31Å; L275-L310 HydrophobicContact CD2-CG 3.95Å; L275-L310 HydrophobicContact CG-CD2 4.46Å; L275-L310 HydrophobicContact CG-CG 4.5Å
276D80.9Confident89.1Confident82 Ų8250.2 Ų50.244%0.43927%0.268SS..  trans-78.8176.4175.664.730000112.7S278 T279 K309D276-S278 PolarHBondContact O-N 3.15Å; D276-S278 WeakPolarHBondContact OD1-CA 3.24Å; D276-S278 WeakPolarHBondContact OD1-CB 3.17Å; D276-S278 PolarHBondContact OD1-N 3.32Å; D276-S278 PolarHBondContact OD1-OG 3.15Å; D276-T279 PolarHBondContact O-N 2.91Å; D276-T279 PolarHBondContact O-OG1 3.12Å; D276-K309 IonicContact OD1-NZ 2.67Å; D276-K309 PolarHBondContact OD1-NZ 3.16Å; D276-K309 IonicContact OD2-NZ 3.17Å; D276-K309 PolarHBondContact OD2-NZ 3.49Å
277S81.7Confident89Confident124 Ų12452.4 Ų52.487%0.86728%0.277SS*.THydrogen-bonded Turntrans-62.8-10.1179.859.80000114.4T279S277-T279 VanDerWaalsContact C-N 3.33Å
278S83.7Confident88.7Confident58 Ų5855.1 Ų55.141%0.40629%0.294SS..THydrogen-bonded Turntrans-78.6-14.6177.5780000113.6D276 P280 K309D276-S278 PolarHBondContact O-N 3.15Å; D276-S278 WeakPolarHBondContact OD1-CA 3.24Å; D276-S278 WeakPolarHBondContact OD1-CB 3.17Å; D276-S278 PolarHBondContact OD1-N 3.32Å; D276-S278 PolarHBondContact OD1-OG 3.15Å; S278-P280 VanDerWaalsContact O-CD 3.22Å; S278-P280 WeakPolarHBondContact O-CD 3.45Å; S278-K309 PolarHBondContact OG-NZ 3.3Å
279T87.6Confident88.4Confident3 Ų356.8 Ų56.82%0.01832%0.315CS..SBendtrans-118.766177.8570000111.3L275 D276 S277 V281 T302 A306 K309L275-T279 VanDerWaalsContact CB-OG1 3.31Å; L275-T279 WeakPolarHBondContact CB-OG1 3.37Å; D276-T279 PolarHBondContact O-N 2.91Å; D276-T279 PolarHBondContact O-OG1 3.12Å; S277-T279 VanDerWaalsContact C-N 3.33Å; T279-V281 PolarHBondContact O-N 3.47Å; T279-V281 VanDerWaalsContact O-N 3.15Å; T279-T302 HydrophobicContact CG2-CG2 3.75Å; T279-A306 HydrophobicContact CG2-CB 4.22Å; T279-K309 HydrophobicContact CG2-CD 4.42Å
280P89.4Confident88.2Confident35 Ų3556.6 Ų56.623%0.22731%0.314CS..  trans-65.6117.8-174.126.6-35.2000111.7S278 G282 K298 Q299S278-P280 VanDerWaalsContact O-CD 3.22Å; S278-P280 WeakPolarHBondContact O-CD 3.45Å; P280-G282 PolarHBondContact O-N 3.39Å; P280-K298 HydrophobicContact CB-CD 4.21Å; P280-K298 HydrophobicContact CG-CB 4.2Å; P280-K298 PolarHBondContact O-N 2.94Å; P280-Q299 HydrophobicContact CG-CG 4.35Å
281V92Very high88.1Confident7 Ų755.6 Ų55.64%0.04231%0.312CS..EExtended strand (participates in β ladder)trans-68.8127175.5-179.10000109.8K268 L271 T279 I284 I295 F297K268-V281 HydrophobicContact CG-CG1 4.35Å; L271-V281 HydrophobicContact CB-CG2 4.14Å; L271-V281 HydrophobicContact CD1-CG2 4.33Å; T279-V281 PolarHBondContact O-N 3.47Å; T279-V281 VanDerWaalsContact O-N 3.15Å; V281-I284 HydrophobicContact CG1-CD1 4.45Å; V281-I284 HydrophobicContact CG1-CG1 4.05Å; V281-I295 HydrophobicContact CG1-CG2 4.21Å; V281-F297 HydrophobicContact CG2-CD1 4.35Å; V281-F297 HydrophobicContact CG2-CE1 3.96Å
282G89.3Confident88.2Confident18 Ų1858.4 Ų58.419%0.18632%0.324CS..EExtended strand (participates in β ladder)trans-75.5-74169.500000109.7K268 P280 R296K268-G282 PolarHBondContact NZ-O 2.98Å; K268-G282 VanDerWaalsContact NZ-O 3.1Å; P280-G282 PolarHBondContact O-N 3.39Å; G282-R296 VanDerWaalsContact CA-O 3.32Å; G282-R296 WeakPolarHBondContact CA-O 3.47Å; G282-R296 PolarHBondContact N-O 3.41Å
283W89.9Confident88.3Confident72 Ų7254.2 Ų54.227%0.27330%0.302SS..EExtended strand (participates in β ladder)trans-156.2169.2179.655.8-84.3000110.1D285 R296 I343W283-D285 HydrophobicContact CE3-CB 4.5Å; W283-D285 HydrophobicContact CZ3-CB 3.82Å; W283-R296 HydrophobicContact CZ2-CB 4.5Å; W283-R296 PolarHBondContact N-O 3.03Å; W283-R296 PolarHBondContact O-N 2.95Å; W283-I343 HydrophobicContact CH2-CB 4.26Å; W283-I343 HydrophobicContact CH2-CD1 3.73Å; W283-I343 HydrophobicContact CH2-CG1 3.77Å; W283-I343 HydrophobicContact CH2-CG2 3.58Å; W283-I343 HydrophobicContact CZ2-CB 4.49Å; W283-I343 HydrophobicContact CZ2-CD1 4.03Å; W283-I343 HydrophobicContact CZ2-CG1 4.33Å; W283-I343 HydrophobicContact CZ2-CG2 3.43Å; W283-I343 VanDerWaalsContact CZ2-CG2 3.43Å
284I92.2Very high88.5Confident7 Ų749 Ų494%0.03628%0.278CS..EExtended strand (participates in β ladder)trans-129.2129.4-175.5-50173.9000107V264 L267 K268 L271 V281 V286 A293 I294 I295V264-I284 HydrophobicContact CG1-CB 4.35Å; L267-I284 HydrophobicContact CB-CD1 4.18Å; L267-I284 HydrophobicContact CD2-CD1 4.27Å; L267-I284 HydrophobicContact CD2-CG2 3.78Å; L267-I284 HydrophobicContact CG-CD1 4Å; K268-I284 HydrophobicContact CB-CD1 3.68Å; K268-I284 HydrophobicContact CG-CD1 4.42Å; L271-I284 HydrophobicContact CD1-CD1 3.56Å; L271-I284 HydrophobicContact CD1-CG1 4.35Å; V281-I284 HydrophobicContact CG1-CD1 4.45Å; V281-I284 HydrophobicContact CG1-CG1 4.05Å; I284-V286 HydrophobicContact CG2-CG2 3.91Å; I284-A293 HydrophobicContact CG2-CB 3.87Å; I284-I294 WeakPolarHBondContact CA-O 3.41Å; I284-I295 HydrophobicContact CG1-CG1 4.39Å; I284-I295 HydrophobicContact CG1-CG2 4.46Å; I284-I295 HydrophobicContact CG2-CG1 4.11Å
285D89.8Confident88.7Confident74 Ų7445 Ų4540%0.39626%0.26SS..EExtended strand (participates in β ladder)trans-95.6122.6164.8-139-25.7000107.9W283 A293 I294W283-D285 HydrophobicContact CE3-CB 4.5Å; W283-D285 HydrophobicContact CZ3-CB 3.82Å; D285-A293 CarbonylContact O-C 3.57Å; D285-A293 WeakPolarHBondContact O-CA 3.39Å; D285-A293 VanDerWaalsContact O-CB 3.28Å; D285-A293 WeakPolarHBondContact O-CB 3.49Å; D285-I294 PolarHBondContact N-O 3.02Å; D285-I294 PolarHBondContact O-N 2.96Å
286V89.7Confident88.9Confident19 Ų1946.7 Ų46.712%0.11527%0.267CS..EExtended strand (participates in β ladder)trans-109.3131178.6-177.80000107L228 V264 L267 I284 P288 A293L228-V286 HydrophobicContact CD1-CG1 4.25Å; V264-V286 HydrophobicContact CG2-CB 4.38Å; V264-V286 HydrophobicContact CG2-CG2 3.81Å; L267-V286 HydrophobicContact CD2-CG2 4.08Å; I284-V286 HydrophobicContact CG2-CG2 3.91Å; V286-P288 HydrophobicContact CG1-CG 3.99Å; V286-P288 WeakPolarHBondContact O-CD 3.27Å; V286-A293 HydrophobicContact CB-CB 4.44Å; V286-A293 HydrophobicContact CG2-CB 4.02Å
287E87.4Confident89.5Confident82 Ų8242.8 Ų42.838%0.38325%0.246SC..EExtended strand (participates in β ladder)trans-112.783.7171.9-72.4-179.6174.800108.1S289 E290 G291 K292E287-S289 PolarHBondContact O-N 3.47Å; E287-S289 VanDerWaalsContact O-N 3.16Å; E287-E290 PolarHBondContact O-N 3.3Å; E287-G291 PolarHBondContact O-N 2.86Å; E287-K292 PolarHBondContact N-O 3.43Å; E287-K292 PolarHBondContact O-N 3.19Å
288P82.8Confident90.1Very high56 Ų5643.4 Ų43.436%0.36423%0.232SC..THydrogen-bonded Turntrans-61.8-28.2-173-2132.1000113.1A231 V286 E290 G291A231-P288 HydrophobicContact CB-CB 4.17Å; V286-P288 HydrophobicContact CG1-CG 3.99Å; V286-P288 WeakPolarHBondContact O-CD 3.27Å; P288-E290 PolarHBondContact O-N 3.25Å; P288-G291 PolarHBondContact O-N 3.47Å
289S84.6Confident90.5Very high109 Ų10945.5 Ų45.576%0.76224%0.236SC*.THydrogen-bonded Turntrans-67.9-21.917850.50000113.7E287E287-S289 PolarHBondContact O-N 3.47Å; E287-S289 VanDerWaalsContact O-N 3.16Å
290E87.1Confident90.7Very high105 Ų10548.9 Ų48.949%0.49126%0.258SS..THydrogen-bonded Turntrans-106.9-3.2177.5-59.4-161.8-175.700112.3E287 P288 K292E287-E290 PolarHBondContact O-N 3.3Å; P288-E290 PolarHBondContact O-N 3.25Å; E290-K292 HydrophobicContact CB-CB 4.27Å; E290-K292 HydrophobicContact CB-CD 3.95Å; E290-K292 HydrophobicContact CB-CG 3.87Å; E290-K292 WeakPolarHBondContact O-CG 3.46Å; E290-K292 PolarHBondContact O-N 2.96Å; E290-K292 WeakPolarHBondContact OE2-CE 3.32Å; E290-K292 IonicContact OE2-NZ 3.87Å; E290-K292 PolarHBondContact OE2-NZ 3.23Å
291G90.3Very high90.9Very high6 Ų652.1 Ų52.16%0.06227%0.273CS..THydrogen-bonded Turntrans61.333.9-170.400000112.1G227 L228 E287 P288G227-G291 PolarHBondContact N-O 3.29Å; L228-G291 PolarHBondContact N-O 2.8Å; L228-G291 WeakPolarHBondContact O-CA 3.45Å; E287-G291 PolarHBondContact O-N 2.86Å; P288-G291 PolarHBondContact O-N 3.47Å
292K92.6Very high91Very high59 Ų5952 Ų5226%0.25727%0.273SS..EExtended strand (participates in β ladder)trans-122.7153.9-175.4-61.5-177.5-169158.30112.5I225 V226 E287 E290I225-K292 CarbonylContact O-C 3.55Å; I225-K292 VanDerWaalsContact O-CA 3.28Å; I225-K292 WeakPolarHBondContact O-CA 3.39Å; V226-K292 HydrophobicContact CB-CG 4.34Å; V226-K292 HydrophobicContact CG1-CG 4.07Å; V226-K292 HydrophobicContact CG2-CD 4.19Å; V226-K292 HydrophobicContact CG2-CG 3.98Å; E287-K292 PolarHBondContact N-O 3.43Å; E287-K292 PolarHBondContact O-N 3.19Å; E290-K292 HydrophobicContact CB-CB 4.27Å; E290-K292 HydrophobicContact CB-CD 3.95Å; E290-K292 HydrophobicContact CB-CG 3.87Å; E290-K292 WeakPolarHBondContact O-CG 3.46Å; E290-K292 PolarHBondContact O-N 2.96Å; E290-K292 WeakPolarHBondContact OE2-CE 3.32Å; E290-K292 IonicContact OE2-NZ 3.87Å; E290-K292 PolarHBondContact OE2-NZ 3.23Å
293A93.4Very high91.3Very high1 Ų151.1 Ų51.11%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-141.8146.7162.600000111.5E224 I225 L228 L267 I284 D285 V286E224-A293 WeakPolarHBondContact CA-O 3.49Å; I225-A293 HydrophobicContact CD1-CB 4.13Å; I225-A293 HydrophobicContact CG1-CB 3.85Å; I225-A293 WeakPolarHBondContact CG1-O 3.39Å; I225-A293 PolarHBondContact N-O 2.87Å; I225-A293 PolarHBondContact O-N 3.03Å; L228-A293 HydrophobicContact CD1-CB 3.51Å; L267-A293 HydrophobicContact CD2-CB 3.79Å; I284-A293 HydrophobicContact CG2-CB 3.87Å; D285-A293 CarbonylContact O-C 3.57Å; D285-A293 WeakPolarHBondContact O-CA 3.39Å; D285-A293 VanDerWaalsContact O-CB 3.28Å; D285-A293 WeakPolarHBondContact O-CB 3.49Å; V286-A293 HydrophobicContact CB-CB 4.44Å; V286-A293 HydrophobicContact CG2-CB 4.02Å
294I94.3Very high91.6Very high18 Ų1854.7 Ų54.79%0.09228%0.284CS..EExtended strand (participates in β ladder)trans-105.4112.3170.3-59.4177.9000107.5L222 I284 D285 I331L222-I294 HydrophobicContact CB-CG2 4.48Å; L222-I294 HydrophobicContact CD2-CG2 4.12Å; I284-I294 WeakPolarHBondContact CA-O 3.41Å; D285-I294 PolarHBondContact N-O 3.02Å; D285-I294 PolarHBondContact O-N 2.96Å; I294-I331 HydrophobicContact CD1-CD1 4.17Å; I294-I331 HydrophobicContact CG1-CD1 4.37Å; I294-I331 HydrophobicContact CG2-CD1 4.29Å
295I94.8Very high91.7Very high0 Ų060.4 Ų60.40%031%0.308CS..EExtended strand (participates in β ladder)trans-90.5123.5176-57.4159.3000107.8L223 I225 L271 V281 I284 F297L223-I295 HydrophobicContact CB-CB 4.41Å; L223-I295 HydrophobicContact CD2-CD1 4.26Å; L223-I295 PolarHBondContact N-O 2.9Å; L223-I295 PolarHBondContact O-N 2.99Å; I225-I295 HydrophobicContact CD1-CD1 3.83Å; I225-I295 HydrophobicContact CD1-CG1 4.45Å; I225-I295 HydrophobicContact CG1-CD1 4.01Å; I225-I295 HydrophobicContact CG1-CG1 4.45Å; I225-I295 HydrophobicContact CG2-CD1 4.01Å; L271-I295 HydrophobicContact CD1-CB 4.49Å; L271-I295 HydrophobicContact CD1-CD1 3.49Å; L271-I295 VanDerWaalsContact CD1-CD1 3.49Å; L271-I295 HydrophobicContact CD1-CG1 3.76Å; L271-I295 HydrophobicContact CD1-CG2 3.89Å; L271-I295 HydrophobicContact CD2-CD1 3.84Å; L271-I295 HydrophobicContact CG-CD1 4.28Å; V281-I295 HydrophobicContact CG1-CG2 4.21Å; I284-I295 HydrophobicContact CG1-CG1 4.39Å; I284-I295 HydrophobicContact CG1-CG2 4.46Å; I284-I295 HydrophobicContact CG2-CG1 4.11Å; I295-F297 HydrophobicContact CB-CE2 4.47Å; I295-F297 HydrophobicContact CG2-CD2 4.48Å; I295-F297 HydrophobicContact CG2-CE1 4.18Å; I295-F297 HydrophobicContact CG2-CE2 3.88Å; I295-F297 HydrophobicContact CG2-CZ 3.7Å
296R93.4Very high91.9Very high46 Ų4656.9 Ų56.917%0.17429%0.289CS..EExtended strand (participates in β ladder)trans-104.3120.7172.8-175.5-151.7163.2160.9-5.8110.7A221 L222 G282 W283 W340A221-R296 WeakPolarHBondContact O-CA 3.44Å; L222-R296 HydrophobicContact CD2-CB 3.82Å; L222-R296 HydrophobicContact CD2-CG 3.81Å; G282-R296 VanDerWaalsContact CA-O 3.32Å; G282-R296 WeakPolarHBondContact CA-O 3.47Å; G282-R296 PolarHBondContact N-O 3.41Å; W283-R296 HydrophobicContact CZ2-CB 4.5Å; W283-R296 PolarHBondContact N-O 3.03Å; W283-R296 PolarHBondContact O-N 2.95Å; R296-W340 HydrophobicContact CG-CH2 4.29Å; R296-W340 HydrophobicContact CG-CZ2 4.34Å; R296-W340 VanDerWaalsContact NE-CH2 3.28Å
297F94.6Very high92.2Very high0 Ų057.6 Ų57.60%029%0.29CS..EExtended strand (participates in β ladder)trans-82.4156170.8-62.5-78.9000112.1A221 L223 L275 V281 I295 T302 A303 A306A221-F297 HydrophobicContact CB-CB 4.31Å; A221-F297 WeakPolarHBondContact O-CD2 3.11Å; A221-F297 PolarHBondContact O-N 2.84Å; L223-F297 HydrophobicContact CB-CE2 3.83Å; L223-F297 HydrophobicContact CD2-CE2 4.25Å; L223-F297 HydrophobicContact CD2-CZ 4.4Å; L275-F297 HydrophobicContact CD1-CE1 3.87Å; L275-F297 HydrophobicContact CD1-CZ 4.15Å; V281-F297 HydrophobicContact CG2-CD1 4.35Å; V281-F297 HydrophobicContact CG2-CE1 3.96Å; I295-F297 HydrophobicContact CB-CE2 4.47Å; I295-F297 HydrophobicContact CG2-CD2 4.48Å; I295-F297 HydrophobicContact CG2-CE1 4.18Å; I295-F297 HydrophobicContact CG2-CE2 3.88Å; I295-F297 HydrophobicContact CG2-CZ 3.7Å; F297-T302 HydrophobicContact CB-CG2 3.69Å; F297-T302 HydrophobicContact CD1-CG2 3.77Å; F297-T302 HydrophobicContact CD2-CG2 4.3Å; F297-T302 HydrophobicContact CG-CG2 3.64Å; F297-A303 HydrophobicContact CD2-CB 4.18Å; F297-A303 HydrophobicContact CE2-CB 4.3Å; F297-A306 HydrophobicContact CE1-CB 3.7Å; F297-A306 HydrophobicContact CE2-CB 3.69Å; F297-A306 HydrophobicContact CZ-CB 3.2Å
298K92.5Very high92.6Very high136 Ų13656 Ų5659%0.59129%0.291SS*.SBendtrans-76.7-28.8179.1-64.7-174.7-175.11740113P280P280-K298 HydrophobicContact CB-CD 4.21Å; P280-K298 HydrophobicContact CG-CB 4.2Å; P280-K298 PolarHBondContact O-N 2.94Å
299Q92.7Very high93.1Very high102 Ų10255.9 Ų55.948%0.47729%0.285SS..SBendtrans-105.5153.3-174.1-70.9-178.6-10.800111.3A221 P280 T302A221-Q299 WeakPolarHBondContact CB-O 3.36Å; P280-Q299 HydrophobicContact CG-CG 4.35Å; Q299-T302 WeakPolarHBondContact CB-OG1 3.28Å; Q299-T302 WeakPolarHBondContact O-CB 3.22Å; Q299-T302 PolarHBondContact O-OG1 2.86Å
300P92.8Very high93.5Very high74 Ų7450.7 Ų50.748%0.48125%0.248SC..THydrogen-bonded Turntrans-66.6158.4174.429.4-34.9000111.9V218 R219 T302V218-P300 HydrophobicContact CG1-CB 4.06Å; R219-P300 CarbonylContact O-C 3.51Å; R219-P300 WeakPolarHBondContact O-CA 3.16Å; R219-P300 WeakPolarHBondContact O-CB 3.33Å; P300-T302 PolarHBondContact O-N 2.96Å; P300-T302 PolarHBondContact O-OG1 3.33Å
301D92.9Very high93.9Very high103 Ų10350.6 Ų50.655%0.55125%0.246SC*.THydrogen-bonded Turntrans49.736.7173.3-49.9-44.2000113.7R219 G220R219-D301 PolarHBondContact O-N 3.18Å; G220-D301 CarbonylContact O-C 3.55Å; G220-D301 WeakPolarHBondContact O-CA 3.45Å; G220-D301 PolarHBondContact O-N 2.75Å
302T95.1Very high94Very high5 Ų557.7 Ų57.73%0.03128%0.278CS..  trans-103.5-27.9-174-57.70000111.6G220 T279 F297 Q299 P300 E304 K305 A306G220-T302 PolarHBondContact O-N 2.81Å; T279-T302 HydrophobicContact CG2-CG2 3.75Å; F297-T302 HydrophobicContact CB-CG2 3.69Å; F297-T302 HydrophobicContact CD1-CG2 3.77Å; F297-T302 HydrophobicContact CD2-CG2 4.3Å; F297-T302 HydrophobicContact CG-CG2 3.64Å; Q299-T302 WeakPolarHBondContact CB-OG1 3.28Å; Q299-T302 WeakPolarHBondContact O-CB 3.22Å; Q299-T302 PolarHBondContact O-OG1 2.86Å; P300-T302 PolarHBondContact O-N 2.96Å; P300-T302 PolarHBondContact O-OG1 3.33Å; T302-E304 PolarHBondContact O-N 2.8Å; T302-K305 PolarHBondContact O-N 3.1Å; T302-A306 WeakPolarHBondContact O-CB 3.35Å; T302-A306 PolarHBondContact O-N 3.43Å
303A95.5Very high93.9Very high0 Ų057.5 Ų57.50%029%0.287CS..Hα-helixtrans-61.6-43-175.400000112.8G220 L222 L223 F297 A306 W307 V330G220-A303 VanDerWaalsContact O-CB 3.27Å; G220-A303 WeakPolarHBondContact O-CB 3.26Å; G220-A303 PolarHBondContact O-N 2.8Å; L222-A303 WeakPolarHBondContact O-CB 3.33Å; L223-A303 HydrophobicContact CB-CB 3.98Å; F297-A303 HydrophobicContact CD2-CB 4.18Å; F297-A303 HydrophobicContact CE2-CB 4.3Å; A303-A306 PolarHBondContact O-N 2.82Å; A303-W307 PolarHBondContact O-N 2.93Å; A303-V330 HydrophobicContact CB-CG1 3.79Å; A303-V330 HydrophobicContact CB-CG2 4.21Å
304E95.1Very high93.9Very high147 Ų14759.3 Ų59.369%0.68730%0.295SS*.Hα-helixtrans-64.6-45.5177.6-172.4174.8-168.600111.8T302 A306 W307 A308 V330T302-E304 PolarHBondContact O-N 2.8Å; E304-A306 VanDerWaalsContact C-N 3.33Å; E304-A306 PolarHBondContact O-N 2.8Å; E304-W307 PolarHBondContact O-N 2.82Å; E304-A308 WeakPolarHBondContact O-CB 3.46Å; E304-A308 PolarHBondContact O-N 2.71Å; E304-V330 HydrophobicContact CB-CG2 4.01Å
305K93.6Very high93.8Very high127 Ų12760.8 Ų60.855%0.55232%0.315SS*.Hα-helixtrans-61.5-42.6176.2-64175.7-174.5165.80111.4T302 A308 K309T302-K305 PolarHBondContact O-N 3.1Å; K305-A308 PolarHBondContact O-N 3.24Å; K305-K309 WeakPolarHBondContact O-CB 3.15Å; K305-K309 WeakPolarHBondContact O-CG 3.22Å; K305-K309 PolarHBondContact O-N 2.92Å
306A95.3Very high93.6Very high0 Ų069.3 Ų69.30%036%0.361CS..Hα-helixtrans-63.3-43.7177.900000111.5L275 T279 F297 T302 A303 E304 K309 L310L275-A306 HydrophobicContact CD1-CB 4.08Å; L275-A306 HydrophobicContact CD2-CB 4.17Å; L275-A306 WeakPolarHBondContact CD2-O 3.28Å; T279-A306 HydrophobicContact CG2-CB 4.22Å; F297-A306 HydrophobicContact CE1-CB 3.7Å; F297-A306 HydrophobicContact CE2-CB 3.69Å; F297-A306 HydrophobicContact CZ-CB 3.2Å; T302-A306 WeakPolarHBondContact O-CB 3.35Å; T302-A306 PolarHBondContact O-N 3.43Å; A303-A306 PolarHBondContact O-N 2.82Å; E304-A306 VanDerWaalsContact C-N 3.33Å; E304-A306 PolarHBondContact O-N 2.8Å; A306-K309 PolarHBondContact O-N 3.24Å; A306-L310 WeakPolarHBondContact O-CG 3.38Å; A306-L310 PolarHBondContact O-N 2.91Å
307W95.9Very high93.6Very high33 Ų3370.9 Ų70.913%0.12538%0.379CS..Hα-helixtrans-66.8-39.1176.5-173.2-125.2000112.9L223 I225 A303 E304 L310 K311 V319 G328L223-W307 HydrophobicContact CD1-CB 3.88Å; L223-W307 HydrophobicContact CD1-CG 4.24Å; L223-W307 HydrophobicContact CD2-CB 4.24Å; L223-W307 HydrophobicContact CD2-CE3 4.3Å; I225-W307 HydrophobicContact CG2-CZ3 4.39Å; A303-W307 PolarHBondContact O-N 2.93Å; E304-W307 PolarHBondContact O-N 2.82Å; W307-L310 HydrophobicContact CE3-CB 4.15Å; W307-L310 HydrophobicContact CE3-CD1 3.83Å; W307-L310 HydrophobicContact CZ3-CB 4.38Å; W307-L310 HydrophobicContact CZ3-CD1 4.11Å; W307-L310 PolarHBondContact O-N 3.29Å; W307-K311 HydrophobicContact CZ2-CD 4.44Å; W307-K311 HydrophobicContact CZ2-CG 4.32Å; W307-K311 PolarHBondContact O-N 3.04Å; W307-V319 HydrophobicContact CH2-CB 4.05Å; W307-V319 HydrophobicContact CH2-CG1 4.31Å; W307-V319 HydrophobicContact CH2-CG2 4.04Å; W307-V319 HydrophobicContact CZ3-CB 4.43Å; W307-V319 HydrophobicContact CZ3-CG1 4.2Å; W307-V319 HydrophobicContact CZ3-CG2 4.39Å; W307-G328 PolarHBondContact NE1-O 3.39Å
308A94.4Very high93.5Very high49 Ų4973.9 Ų73.941%0.40540%0.398SS..Hα-helixtrans-60.1-45.6173.900000111.7E304 K305 K311 E312E304-A308 WeakPolarHBondContact O-CB 3.46Å; E304-A308 PolarHBondContact O-N 2.71Å; K305-A308 PolarHBondContact O-N 3.24Å; A308-K311 PolarHBondContact O-N 3.45Å; A308-E312 PolarHBondContact O-N 3.39Å
309K93.8Very high93.6Very high53 Ų5367.7 Ų67.723%0.2337%0.372CS..Hα-helixtrans-64.7-38.3176.6-74.6-177.7-179.7-168.70113.2L275 D276 S278 T279 K305 A306 K311 E312 A313L275-K309 HydrophobicContact CD2-CB 3.9Å; D276-K309 IonicContact OD1-NZ 2.67Å; D276-K309 PolarHBondContact OD1-NZ 3.16Å; D276-K309 IonicContact OD2-NZ 3.17Å; D276-K309 PolarHBondContact OD2-NZ 3.49Å; S278-K309 PolarHBondContact OG-NZ 3.3Å; T279-K309 HydrophobicContact CG2-CD 4.42Å; K305-K309 WeakPolarHBondContact O-CB 3.15Å; K305-K309 WeakPolarHBondContact O-CG 3.22Å; K305-K309 PolarHBondContact O-N 2.92Å; A306-K309 PolarHBondContact O-N 3.24Å; K309-K311 VanDerWaalsContact C-N 3.33Å; K309-E312 PolarHBondContact O-N 2.97Å; K309-A313 WeakPolarHBondContact O-CB 3.37Å; K309-A313 PolarHBondContact O-N 2.84Å
310L94.4Very high93.7Very high0 Ų065.3 Ų65.30%036%0.364CS..Hα-helixtrans-60.6-44.7173.2-77.6169.2000110.8L223 W270 L271 K274 L275 A306 W307 A313 F314 V319L223-L310 HydrophobicContact CD2-CD1 4.44Å; W270-L310 HydrophobicContact CH2-CD2 3.87Å; W270-L310 HydrophobicContact CZ2-CD2 4.33Å; W270-L310 HydrophobicContact CZ3-CD2 4.32Å; L271-L310 HydrophobicContact CD2-CD1 4.14Å; K274-L310 HydrophobicContact CB-CD2 3.69Å; K274-L310 HydrophobicContact CG-CD2 4.41Å; L275-L310 HydrophobicContact CD2-CD2 4.31Å; L275-L310 HydrophobicContact CD2-CG 3.95Å; L275-L310 HydrophobicContact CG-CD2 4.46Å; L275-L310 HydrophobicContact CG-CG 4.5Å; A306-L310 WeakPolarHBondContact O-CG 3.38Å; A306-L310 PolarHBondContact O-N 2.91Å; W307-L310 HydrophobicContact CE3-CB 4.15Å; W307-L310 HydrophobicContact CE3-CD1 3.83Å; W307-L310 HydrophobicContact CZ3-CB 4.38Å; W307-L310 HydrophobicContact CZ3-CD1 4.11Å; W307-L310 PolarHBondContact O-N 3.29Å; L310-A313 PolarHBondContact O-N 3.2Å; L310-F314 WeakPolarHBondContact O-CD2 3.2Å; L310-V319 HydrophobicContact CB-CG1 4.36Å; L310-V319 HydrophobicContact CB-CG2 4.42Å
311K94.6Very high93.6Very high104 Ų10462.4 Ų62.445%0.45234%0.344SS..Hα-helixtrans-63.2-45.3175.3-69.8-177.9-70.1175.50111.9W307 A308 K309 A313 F314 G315 V319W307-K311 HydrophobicContact CZ2-CD 4.44Å; W307-K311 HydrophobicContact CZ2-CG 4.32Å; W307-K311 PolarHBondContact O-N 3.04Å; A308-K311 PolarHBondContact O-N 3.45Å; K309-K311 VanDerWaalsContact C-N 3.33Å; K311-A313 VanDerWaalsContact C-N 3.29Å; K311-A313 PolarHBondContact O-N 3.15Å; K311-F314 CarbonylContact O-C 3.55Å; K311-F314 PolarHBondContact O-N 3.41Å; K311-G315 PolarHBondContact O-N 2.85Å; K311-V319 HydrophobicContact CG-CG2 3.99Å
312E92.5Very high93.4Very high155 Ų15561.1 Ų61.172%0.72434%0.336SS*.Hα-helixtrans-58.2-40.2177.9-172.4-179.4177.800112.4A308 K309 F314 G315A308-E312 PolarHBondContact O-N 3.39Å; K309-E312 PolarHBondContact O-N 2.97Å; E312-F314 PolarHBondContact O-N 2.88Å; E312-G315 PolarHBondContact O-N 2.81Å; E312-G315 VanDerWaalsContact O-N 3.16Å
313A90.9Very high93.1Very high55 Ų5568.8 Ų68.846%0.45538%0.377SS..Hα-helixtrans-65.4-17.217800000114.2K309 L310 K311K309-A313 WeakPolarHBondContact O-CB 3.37Å; K309-A313 PolarHBondContact O-N 2.84Å; L310-A313 PolarHBondContact O-N 3.2Å; K311-A313 VanDerWaalsContact C-N 3.29Å; K311-A313 PolarHBondContact O-N 3.15Å
314F92.8Very high92.9Very high38 Ų3870.2 Ų70.217%0.16739%0.387CS..Hα-helixtrans-109.7-7.2176.1-72.5-105000112.7W270 K274 L310 K311 E312 D316 S317 P318 V319 T320W270-F314 HydrophobicContact CZ2-CE2 4.28Å; W270-F314 HydrophobicContact CZ2-CZ 4.17Å; K274-F314 HydrophobicContact CD-CE2 4.23Å; L310-F314 WeakPolarHBondContact O-CD2 3.2Å; K311-F314 CarbonylContact O-C 3.55Å; K311-F314 PolarHBondContact O-N 3.41Å; E312-F314 PolarHBondContact O-N 2.88Å; F314-D316 PolarHBondContact O-N 2.93Å; F314-S317 WeakPolarHBondContact CB-O 3.31Å; F314-S317 WeakPolarHBondContact O-CB 3.33Å; F314-S317 PolarHBondContact O-N 3.41Å; F314-P318 WeakPolarHBondContact CD1-O 3.47Å; F314-V319 HydrophobicContact CD2-CB 4.46Å; F314-V319 HydrophobicContact CD2-CG1 4.25Å; F314-V319 HydrophobicContact CD2-CG2 4.27Å; F314-V319 HydrophobicContact CE2-CG1 4Å; F314-V319 HydrophobicContact CG-CG2 4.48Å; F314-V319 HydrophobicContact CZ-CG1 4.4Å; F314-T320 WeakPolarHBondContact CE1-OG1 3.42Å; F314-T320 WeakPolarHBondContact CZ-O 3.44Å
315G91.4Very high92.8Very high50 Ų5069.2 Ų69.252%0.51538%0.382SS..THydrogen-bonded Turntrans59.4-123.8-179.800000111.8K311 E312 S317K311-G315 PolarHBondContact O-N 2.85Å; E312-G315 PolarHBondContact O-N 2.81Å; E312-G315 VanDerWaalsContact O-N 3.16Å; G315-S317 VanDerWaalsContact C-N 3.29Å
316D91.2Very high92.9Very high179 Ų17963.4 Ų63.496%0.95736%0.358SS*.THydrogen-bonded Turntrans-81.4-7.5177.8-61.6-37.7000113.3F314F314-D316 PolarHBondContact O-N 2.93Å
317S93.1Very high92.9Very high79 Ų7967 Ų6755%0.55238%0.383SS*.SBendtrans-83.3148.4176.9-60.70000111.2F314 G315F314-S317 WeakPolarHBondContact CB-O 3.31Å; F314-S317 WeakPolarHBondContact O-CB 3.33Å; F314-S317 PolarHBondContact O-N 3.41Å; G315-S317 VanDerWaalsContact C-N 3.29Å
318P93Very high92.9Very high62 Ų6266.4 Ų66.440%0.40339%0.386SS..PPolyproline II helixtrans-61144.7174.124.7-32.8000111.4F314 T320 E325F314-P318 WeakPolarHBondContact CD1-O 3.47Å; P318-T320 HydrophobicContact CG-CG2 4.42Å; P318-T320 PolarHBondContact O-N 2.88Å; P318-E325 HydrophobicContact CB-CG 3.81Å; P318-E325 WeakPolarHBondContact CB-OE1 3.08Å
319V95.2Very high93Very high7 Ų769.2 Ų69.24%0.04239%0.387CS..PPolyproline II helixtrans-66.2116.9174.1-179.90000107.8W270 W307 L310 K311 F314 L326W270-V319 HydrophobicContact CH2-CG1 4.07Å; W270-V319 HydrophobicContact CZ2-CG1 4.27Å; W307-V319 HydrophobicContact CH2-CB 4.05Å; W307-V319 HydrophobicContact CH2-CG1 4.31Å; W307-V319 HydrophobicContact CH2-CG2 4.04Å; W307-V319 HydrophobicContact CZ3-CB 4.43Å; W307-V319 HydrophobicContact CZ3-CG1 4.2Å; W307-V319 HydrophobicContact CZ3-CG2 4.39Å; L310-V319 HydrophobicContact CB-CG1 4.36Å; L310-V319 HydrophobicContact CB-CG2 4.42Å; K311-V319 HydrophobicContact CG-CG2 3.99Å; F314-V319 HydrophobicContact CD2-CB 4.46Å; F314-V319 HydrophobicContact CD2-CG1 4.25Å; F314-V319 HydrophobicContact CD2-CG2 4.27Å; F314-V319 HydrophobicContact CE2-CG1 4Å; F314-V319 HydrophobicContact CG-CG2 4.48Å; F314-V319 HydrophobicContact CZ-CG1 4.4Å; V319-L326 HydrophobicContact CG1-CB 4.43Å; V319-L326 PolarHBondContact O-N 3.45Å
320T93.8Very high93.1Very high52 Ų5268.7 Ų68.732%0.31939%0.388SS..EExtended strand (participates in β ladder)trans-121.9145.2-176.549.60000112.3F314 P318 S324 E325F314-T320 WeakPolarHBondContact CE1-OG1 3.42Å; F314-T320 WeakPolarHBondContact CZ-O 3.44Å; P318-T320 HydrophobicContact CG-CG2 4.42Å; P318-T320 PolarHBondContact O-N 2.88Å; T320-S324 CarbonylContact C-O 3.56Å; T320-S324 VanDerWaalsContact CA-O 3.24Å; T320-S324 WeakPolarHBondContact CA-O 3.38Å; T320-E325 HydrophobicContact CG2-CB 4.45Å
321Y92.1Very high93.1Very high13 Ų1368.7 Ų68.75%0.05139%0.388CS..EExtended strand (participates in β ladder)trans-136.7125.7172.5175.7-105.6000108.9L228 P262 N266 L267 W270 N323 S324L228-Y321 HydrophobicContact CD2-CD1 3.72Å; L228-Y321 HydrophobicContact CD2-CE1 4.18Å; P262-Y321 HydrophobicContact CB-CE1 3.93Å; N266-Y321 WeakPolarHBondContact CB-OH 3.31Å; L267-Y321 HydrophobicContact CD1-CD1 4.26Å; L267-Y321 HydrophobicContact CD1-CD2 4.42Å; L267-Y321 HydrophobicContact CD1-CE1 4.12Å; L267-Y321 HydrophobicContact CD1-CE2 4.3Å; L267-Y321 HydrophobicContact CD1-CG 4.4Å; W270-Y321 HydrophobicContact CB-CD2 4.02Å; W270-Y321 HydrophobicContact CB-CE2 3.68Å; W270-Y321 AromaticContact CD1-CD2 3.73Å; W270-Y321 AromaticContact CD2-CD2 3.53Å; W270-Y321 HydrophobicContact CD2-CD2 3.53Å; W270-Y321 HydrophobicContact CD2-CE2 4.12Å; W270-Y321 HydrophobicContact CD2-CG 4.37Å; W270-Y321 AromaticContact CE2-CD2 3.82Å; W270-Y321 HydrophobicContact CE3-CD2 4.04Å; W270-Y321 AromaticContact CG-CD2 3.49Å; W270-Y321 HydrophobicContact CG-CD2 3.49Å; W270-Y321 VanDerWaalsContact CG-CD2 3.49Å; W270-Y321 AromaticContact CG-CE2 3.7Å; W270-Y321 HydrophobicContact CG-CE2 3.7Å; W270-Y321 AromaticContact NE1-CD2 3.88Å; Y321-N323 VanDerWaalsContact C-N 3.3Å; Y321-N323 PolarHBondContact O-N 3.17Å; Y321-S324 PolarHBondContact N-O 3.12Å; Y321-S324 WeakPolarHBondContact O-CB 3.47Å; Y321-S324 PolarHBondContact O-N 3.35Å
322L88.8Confident93.1Very high75 Ų7567.8 Ų67.839%0.39339%0.391SS..THydrogen-bonded Turntrans48.151.6-176.3-62.4177.5000112.2P229 E260 S324P229-L322 HydrophobicContact CG-CB 3.88Å; P229-L322 HydrophobicContact CG-CD1 4.14Å; E260-L322 WeakPolarHBondContact O-CD1 3.41Å; L322-S324 PolarHBondContact O-N 3.25Å; L322-S324 PolarHBondContact O-OG 2.95Å
323N87.5Confident93Very high166 Ų16662.5 Ų62.589%0.88838%0.378SS*.THydrogen-bonded Turntrans56.914.9-177.9-59.7-21.8000115.6Y321Y321-N323 VanDerWaalsContact C-N 3.3Å; Y321-N323 PolarHBondContact O-N 3.17Å
324S91Very high93.1Very high30 Ų3065.1 Ų65.121%0.2138%0.384CS..EExtended strand (participates in β ladder)trans-108131.8175.2-53.90000109.7G227 T320 Y321 L322G227-S324 WeakPolarHBondContact O-CB 3.49Å; T320-S324 CarbonylContact C-O 3.56Å; T320-S324 VanDerWaalsContact CA-O 3.24Å; T320-S324 WeakPolarHBondContact CA-O 3.38Å; Y321-S324 PolarHBondContact N-O 3.12Å; Y321-S324 WeakPolarHBondContact O-CB 3.47Å; Y321-S324 PolarHBondContact O-N 3.35Å; L322-S324 PolarHBondContact O-N 3.25Å; L322-S324 PolarHBondContact O-OG 2.95Å
325E94.1Very high93.2Very high126 Ų12667.2 Ų67.259%0.58940%0.395SS*.EExtended strand (participates in β ladder)trans-72.6129175.4176.5167.7179.800110.5P318 T320P318-E325 HydrophobicContact CB-CG 3.81Å; P318-E325 WeakPolarHBondContact CB-OE1 3.08Å; T320-E325 HydrophobicContact CG2-CB 4.45Å
326L95.3Very high93.3Very high6 Ų665.4 Ų65.43%0.03137%0.373CS..  trans-104.7137.7-178.2-58.1-172.3000111.4I225 V226 G227 L228 W270 V319I225-L326 HydrophobicContact CD1-CD1 4.39Å; V226-L326 WeakPolarHBondContact O-CA 3.29Å; G227-L326 WeakPolarHBondContact O-CD2 3.48Å; L228-L326 HydrophobicContact CD2-CD2 4Å; L228-L326 HydrophobicContact CG-CD2 4.44Å; W270-L326 HydrophobicContact CH2-CD1 3.73Å; W270-L326 HydrophobicContact CZ2-CD1 4.44Å; W270-L326 HydrophobicContact CZ3-CD1 4.14Å; V319-L326 HydrophobicContact CG1-CB 4.43Å; V319-L326 PolarHBondContact O-N 3.45Å
327S95.7Very high93.4Very high76 Ų7660.7 Ų60.753%0.53134%0.344SS..EExtended strand (participates in β ladder)trans-109.5130.6166.2-70.80000110.1I225 V226I225-S327 CarbonylContact C-O 3.41Å; I225-S327 WeakPolarHBondContact CA-O 3.43Å; V226-S327 PolarHBondContact N-O 3.12Å; V226-S327 PolarHBondContact O-N 3.18Å
328G95.5Very high93.4Very high19 Ų1961 Ų6120%0.19634%0.339CS..EExtended strand (participates in β ladder)trans-114.1134.5-178.900000112.5E224 W307E224-G328 CarbonylContact O-C 3.57Å; E224-G328 VanDerWaalsContact O-CA 3.26Å; E224-G328 WeakPolarHBondContact O-CA 3.2Å; W307-G328 PolarHBondContact NE1-O 3.39Å
329R95.7Very high93.4Very high109 Ų10960.3 Ų60.341%0.41133%0.331SS..EExtended strand (participates in β ladder)trans-133.2126179.9-178.8175.667130.17.9110.3E224 I331 E335E224-R329 HydrophobicContact CB-CB 4.48Å; E224-R329 VanDerWaalsContact CD-NH2 3.3Å; E224-R329 PolarHBondContact N-O 2.94Å; E224-R329 PolarHBondContact O-N 3.1Å; E224-R329 IonicContact OE1-CZ 3.82Å; E224-R329 IonicContact OE1-NE 4Å; E224-R329 PolarHBondContact OE1-NE 2.83Å; E224-R329 IonicContact OE1-NH2 2.76Å; E224-R329 PolarHBondContact OE1-NH2 3.24Å; E224-R329 IonicContact OE2-NH2 2.75Å; E224-R329 PolarHBondContact OE2-NH2 3.35Å; R329-I331 PolarHBondContact O-N 2.86Å; R329-E335 IonicContact CZ-OE1 2.66Å; R329-E335 IonicContact CZ-OE2 2.71Å; R329-E335 IonicContact NH1-OE1 3.58Å; R329-E335 PolarHBondContact NH1-OE1 3.37Å; R329-E335 IonicContact NH1-OE2 2.81Å; R329-E335 PolarHBondContact NH1-OE2 3.01Å; R329-E335 IonicContact NH2-OE1 3.01Å; R329-E335 PolarHBondContact NH2-OE1 2.66Å
330V96Very high93.2Very high42 Ų4260 Ų6026%0.25533%0.329SS..EExtended strand (participates in β ladder)trans-75.9121.3174-175.20000108.6L223 A303 E304 T332L223-V330 HydrophobicContact CD1-CG2 4.33Å; A303-V330 HydrophobicContact CB-CG1 3.79Å; A303-V330 HydrophobicContact CB-CG2 4.21Å; E304-V330 HydrophobicContact CB-CG2 4.01Å; V330-T332 HydrophobicContact CB-CG2 4.48Å; V330-T332 HydrophobicContact CG1-CG2 3.77Å
331I95.4Very high93.1Very high0 Ų063.2 Ų63.20%034%0.339CS..  trans-81.8126177-47.9-178.1000107.9L222 E224 I294 R329 E335 E336 Q339L222-I331 HydrophobicContact CB-CB 4.05Å; L222-I331 HydrophobicContact CB-CD1 4.32Å; L222-I331 HydrophobicContact CB-CG1 4.37Å; L222-I331 PolarHBondContact O-N 2.82Å; E224-I331 HydrophobicContact CB-CD1 4.03Å; E224-I331 HydrophobicContact CB-CG1 3.98Å; I294-I331 HydrophobicContact CD1-CD1 4.17Å; I294-I331 HydrophobicContact CG1-CD1 4.37Å; I294-I331 HydrophobicContact CG2-CD1 4.29Å; R329-I331 PolarHBondContact O-N 2.86Å; I331-E335 HydrophobicContact CG2-CB 3.95Å; I331-E335 HydrophobicContact CG2-CG 3.71Å; I331-E336 HydrophobicContact CG2-CB 4.12Å; I331-Q339 HydrophobicContact CD1-CG 4.09Å; I331-Q339 HydrophobicContact CG2-CG 4.3Å
332T93.7Very high93.1Very high84 Ų8467 Ų6752%0.51536%0.363SS..  trans-137.3170.6-175.8610000112V330 E335 E336V330-T332 HydrophobicContact CB-CG2 4.48Å; V330-T332 HydrophobicContact CG1-CG2 3.77Å; T332-E335 PolarHBondContact O-N 2.74Å; T332-E336 PolarHBondContact O-N 2.47Å
333G91.9Very high93.1Very high45 Ų4563.9 Ų63.946%0.46435%0.346SS..Hα-helixtrans63.6-137.4171.100000114E335 E336 K337G333-E335 VanDerWaalsContact C-N 3.33Å; G333-E336 PolarHBondContact O-N 2.83Å; G333-K337 PolarHBondContact O-N 2.92Å
334D93Very high93.2Very high109 Ų10956.8 Ų56.858%0.58331%0.308SS*.Hα-helixtrans-72.7-26.3-178.2-68.5-31.7000112.9K337 N338D334-K337 PolarHBondContact O-N 3.12Å; D334-K337 IonicContact OD1-NZ 2.73Å; D334-K337 PolarHBondContact OD1-NZ 2.88Å; D334-N338 WeakPolarHBondContact O-CB 3.44Å; D334-N338 VanDerWaalsContact O-CG 3.24Å; D334-N338 PolarHBondContact O-N 3.4Å; D334-N338 PolarHBondContact O-ND2 3.3Å
335E94.4Very high93.1Very high83 Ų8358 Ų5839%0.38832%0.32SS..Hα-helixtrans-63.7-44.9171.3-166.8179.8-179.100110.2R329 I331 T332 G333 K337 N338 Q339R329-E335 IonicContact CZ-OE1 2.66Å; R329-E335 IonicContact CZ-OE2 2.71Å; R329-E335 IonicContact NH1-OE1 3.58Å; R329-E335 PolarHBondContact NH1-OE1 3.37Å; R329-E335 IonicContact NH1-OE2 2.81Å; R329-E335 PolarHBondContact NH1-OE2 3.01Å; R329-E335 IonicContact NH2-OE1 3.01Å; R329-E335 PolarHBondContact NH2-OE1 2.66Å; I331-E335 HydrophobicContact CG2-CB 3.95Å; I331-E335 HydrophobicContact CG2-CG 3.71Å; T332-E335 PolarHBondContact O-N 2.74Å; G333-E335 VanDerWaalsContact C-N 3.33Å; E335-K337 PolarHBondContact O-N 2.93Å; E335-N338 PolarHBondContact O-N 2.93Å; E335-Q339 WeakPolarHBondContact O-CG 3.39Å; E335-Q339 PolarHBondContact O-N 3.41Å
336E94.1Very high92.8Very high12 Ų1253.8 Ų53.86%0.05631%0.307CS..Hα-helixtrans-59.5-48.7175.4176.5173.3-145.300110.8M217 R219 G220 L222 I331 T332 G333 N338 Q339 W340M217-E336 HydrophobicContact SD-CG 4.39Å; R219-E336 WeakPolarHBondContact CA-OE1 3.4Å; G220-E336 PolarHBondContact N-OE1 3.33Å; G220-E336 PolarHBondContact N-OE2 3.37Å; L222-E336 HydrophobicContact CD1-CG 4.17Å; I331-E336 HydrophobicContact CG2-CB 4.12Å; T332-E336 PolarHBondContact O-N 2.47Å; G333-E336 PolarHBondContact O-N 2.83Å; E336-N338 VanDerWaalsContact C-N 3.3Å; E336-N338 PolarHBondContact O-N 3.02Å; E336-Q339 PolarHBondContact O-N 2.82Å; E336-W340 PolarHBondContact O-N 2.95Å
337K92.4Very high92.4Very high80 Ų8057.2 Ų57.235%0.34832%0.323SS..Hα-helixtrans-56.8-44.9176.6-67.8178.3-165.1154.10111.6L213 M217 G333 D334 E335 W340 K341L213-K337 WeakPolarHBondContact CD1-O 3.42Å; L213-K337 HydrophobicContact CD2-CG 4.32Å; M217-K337 HydrophobicContact CE-CG 4.19Å; M217-K337 HydrophobicContact SD-CG 4.07Å; G333-K337 PolarHBondContact O-N 2.92Å; D334-K337 PolarHBondContact O-N 3.12Å; D334-K337 IonicContact OD1-NZ 2.73Å; D334-K337 PolarHBondContact OD1-NZ 2.88Å; E335-K337 PolarHBondContact O-N 2.93Å; K337-W340 PolarHBondContact O-N 3.38Å; K337-K341 WeakPolarHBondContact O-CG 3.34Å; K337-K341 PolarHBondContact O-N 3.05Å
338N93.6Very high92Very high85 Ų8558.4 Ų58.446%0.45532%0.32SS..Hα-helixtrans-64.9-40.6-179.5-72.4-24000111.7D334 E335 E336 W340 K341 V342D334-N338 WeakPolarHBondContact O-CB 3.44Å; D334-N338 VanDerWaalsContact O-CG 3.24Å; D334-N338 PolarHBondContact O-N 3.4Å; D334-N338 PolarHBondContact O-ND2 3.3Å; E335-N338 PolarHBondContact O-N 2.93Å; E336-N338 VanDerWaalsContact C-N 3.3Å; E336-N338 PolarHBondContact O-N 3.02Å; N338-W340 PolarHBondContact O-N 3.02Å; N338-K341 WeakPolarHBondContact O-CB 3.47Å; N338-K341 PolarHBondContact O-N 3.24Å; N338-K341 VanDerWaalsContact O-N 3.15Å; N338-K341 PolarHBondContact OD1-NZ 3.37Å; N338-V342 PolarHBondContact O-N 2.97Å; N338-V342 VanDerWaalsContact O-N 3.15Å
339Q91.6Very high91.7Very high47 Ų4762.7 Ų62.722%0.2234%0.335CS..Hα-helixtrans-61.1-44.2173.1-70.9-668.200111.7L222 I331 E335 E336 K341 V342 I343L222-Q339 HydrophobicContact CD1-CB 3.9Å; I331-Q339 HydrophobicContact CD1-CG 4.09Å; I331-Q339 HydrophobicContact CG2-CG 4.3Å; E335-Q339 WeakPolarHBondContact O-CG 3.39Å; E335-Q339 PolarHBondContact O-N 3.41Å; E336-Q339 PolarHBondContact O-N 2.82Å; Q339-K341 VanDerWaalsContact C-N 3.29Å; Q339-K341 PolarHBondContact O-N 3.47Å; Q339-V342 PolarHBondContact O-N 3.32Å; Q339-V342 VanDerWaalsContact O-N 3.12Å; Q339-I343 VanDerWaalsContact O-CG1 3.26Å; Q339-I343 WeakPolarHBondContact O-CG1 3.21Å; Q339-I343 PolarHBondContact O-N 3.01Å
340W92Very high91.3Very high0 Ų064.1 Ų64.10%034%0.344CS..Hα-helixtrans-60.7-35.6174.2-80.1104.6000113.3L213 R216 M217 V218 L222 R296 E336 K337 N338 I343 L344L213-W340 HydrophobicContact CD1-CB 4.16Å; R216-W340 WeakPolarHBondContact O-CH2 3.43Å; R216-W340 VanDerWaalsContact O-CZ3 3.25Å; R216-W340 WeakPolarHBondContact O-CZ3 3.34Å; M217-W340 HydrophobicContact CB-CB 4.45Å; M217-W340 HydrophobicContact CB-CD2 4.04Å; M217-W340 HydrophobicContact CB-CG 3.99Å; M217-W340 HydrophobicContact CG-CB 4.44Å; M217-W340 HydrophobicContact CG-CD2 4.02Å; M217-W340 HydrophobicContact CG-CG 3.73Å; M217-W340 HydrophobicContact SD-CB 4.32Å; M217-W340 VanDerWaalsContact SD-CD1 3.57Å; M217-W340 HydrophobicContact SD-CG 4.04Å; V218-W340 HydrophobicContact CB-CH2 4.24Å; V218-W340 HydrophobicContact CB-CZ2 4.02Å; V218-W340 HydrophobicContact CG2-CH2 4.15Å; V218-W340 HydrophobicContact CG2-CZ2 4.44Å; L222-W340 HydrophobicContact CD2-CZ2 4.28Å; R296-W340 HydrophobicContact CG-CH2 4.29Å; R296-W340 HydrophobicContact CG-CZ2 4.34Å; R296-W340 VanDerWaalsContact NE-CH2 3.28Å; E336-W340 PolarHBondContact O-N 2.95Å; K337-W340 PolarHBondContact O-N 3.38Å; N338-W340 PolarHBondContact O-N 3.02Å; W340-I343 HydrophobicContact CE3-CG2 4.38Å; W340-I343 PolarHBondContact O-N 3.39Å; W340-L344 VanDerWaalsContact O-CB 3.31Å; W340-L344 WeakPolarHBondContact O-CB 3.38Å; W340-L344 WeakPolarHBondContact O-CG 3.43Å; W340-L344 PolarHBondContact O-N 3.4Å
341K92.2Very high90.8Very high121 Ų12164.6 Ų64.653%0.52635%0.352SS..Hα-helixtrans-60.4-45.7173-68.5175.4-174.6166.30111.5L213 K337 N338 Q339 L344 A345L213-K341 HydrophobicContact CD1-CB 4.43Å; L213-K341 HydrophobicContact CD1-CD 4.35Å; L213-K341 HydrophobicContact CD1-CG 3.37Å; K337-K341 WeakPolarHBondContact O-CG 3.34Å; K337-K341 PolarHBondContact O-N 3.05Å; N338-K341 WeakPolarHBondContact O-CB 3.47Å; N338-K341 PolarHBondContact O-N 3.24Å; N338-K341 VanDerWaalsContact O-N 3.15Å; N338-K341 PolarHBondContact OD1-NZ 3.37Å; Q339-K341 VanDerWaalsContact C-N 3.29Å; Q339-K341 PolarHBondContact O-N 3.47Å; K341-L344 PolarHBondContact O-N 3.04Å; K341-A345 WeakPolarHBondContact O-CB 3.5Å; K341-A345 PolarHBondContact O-N 3.09Å
342V91.1Very high90.4Very high92 Ų9270 Ų7056%0.55838%0.378SS*.Hα-helixtrans-61.9-49.2178.41760000110.6N338 Q339 L344 A345 A346N338-V342 PolarHBondContact O-N 2.97Å; N338-V342 VanDerWaalsContact O-N 3.15Å; Q339-V342 PolarHBondContact O-N 3.32Å; Q339-V342 VanDerWaalsContact O-N 3.12Å; V342-L344 VanDerWaalsContact C-N 3.35Å; V342-L344 PolarHBondContact O-N 3.33Å; V342-A345 PolarHBondContact O-N 3.44Å; V342-A346 PolarHBondContact O-N 2.73Å
343I88.5Confident90Very high10 Ų1073 Ų735%0.05138%0.383CS..Hα-helixtrans-56.6-48.1178-69175.5000111.3L222 W283 Q339 W340 A346 Q347L222-I343 HydrophobicContact CD2-CD1 4.43Å; W283-I343 HydrophobicContact CH2-CB 4.26Å; W283-I343 HydrophobicContact CH2-CD1 3.73Å; W283-I343 HydrophobicContact CH2-CG1 3.77Å; W283-I343 HydrophobicContact CH2-CG2 3.58Å; W283-I343 HydrophobicContact CZ2-CB 4.49Å; W283-I343 HydrophobicContact CZ2-CD1 4.03Å; W283-I343 HydrophobicContact CZ2-CG1 4.33Å; W283-I343 HydrophobicContact CZ2-CG2 3.43Å; W283-I343 VanDerWaalsContact CZ2-CG2 3.43Å; Q339-I343 VanDerWaalsContact O-CG1 3.26Å; Q339-I343 WeakPolarHBondContact O-CG1 3.21Å; Q339-I343 PolarHBondContact O-N 3.01Å; W340-I343 HydrophobicContact CE3-CG2 4.38Å; W340-I343 PolarHBondContact O-N 3.39Å; I343-A346 PolarHBondContact O-N 2.8Å; I343-Q347 WeakPolarHBondContact O-CG 3.42Å; I343-Q347 PolarHBondContact O-N 2.98Å
344L89.3Confident89.5Confident16 Ų1680.1 Ų80.18%0.08440%0.396CS..Hα-helixtrans-67.6-39-178.5-70.6178.7000112.1L213 R216 W340 K341 V342 Q347 Q348L213-L344 HydrophobicContact CB-CD1 4.35Å; R216-L344 HydrophobicContact CB-CD1 4.22Å; R216-L344 HydrophobicContact CB-CD2 3.79Å; R216-L344 HydrophobicContact CG-CD2 4.21Å; W340-L344 VanDerWaalsContact O-CB 3.31Å; W340-L344 WeakPolarHBondContact O-CB 3.38Å; W340-L344 WeakPolarHBondContact O-CG 3.43Å; W340-L344 PolarHBondContact O-N 3.4Å; K341-L344 PolarHBondContact O-N 3.04Å; V342-L344 VanDerWaalsContact C-N 3.35Å; V342-L344 PolarHBondContact O-N 3.33Å; L344-Q347 PolarHBondContact O-N 2.79Å; L344-Q348 WeakPolarHBondContact O-CB 3.41Å; L344-Q348 PolarHBondContact O-N 3.47Å
345A89.8Confident88.5Confident55 Ų5584.8 Ų84.846%0.45541%0.406SS..Hα-helixtrans-61.3-45.7174.300000111.4K341 V342 Q347 Q348 Q349K341-A345 WeakPolarHBondContact O-CB 3.5Å; K341-A345 PolarHBondContact O-N 3.09Å; V342-A345 PolarHBondContact O-N 3.44Å; A345-Q347 PolarHBondContact O-N 2.79Å; A345-Q348 PolarHBondContact O-N 2.82Å; A345-Q349 WeakPolarHBondContact O-CB 3.33Å; A345-Q349 PolarHBondContact O-N 3.23Å
346A88.2Confident86.8Confident39 Ų3983.2 Ų83.232%0.32241%0.412SS..Hα-helixtrans-62.5-41.5176.900000112.2V342 I343 Q349 K350V342-A346 PolarHBondContact O-N 2.73Å; I343-A346 PolarHBondContact O-N 2.8Å; A346-Q349 PolarHBondContact O-N 3.34Å; A346-K350 WeakPolarHBondContact O-CG 3.24Å; A346-K350 PolarHBondContact O-N 2.91Å
347Q86Confident84.9Confident77 Ų7785.7 Ų85.736%0.3644%0.44SS..Hα-helixtrans-64.2-42.5175-73178.813.700112.1I343 L344 A345 K350 A351I343-Q347 WeakPolarHBondContact O-CG 3.42Å; I343-Q347 PolarHBondContact O-N 2.98Å; L344-Q347 PolarHBondContact O-N 2.79Å; A345-Q347 PolarHBondContact O-N 2.79Å; Q347-K350 PolarHBondContact O-N 2.87Å; Q347-A351 WeakPolarHBondContact O-CB 3.35Å; Q347-A351 PolarHBondContact O-N 3.41Å
348Q87Confident83Confident102 Ų10292.5 Ų92.548%0.47746%0.464SS..Hα-helixtrans-63.8-43.4177.9-171.6176.711.700111.5L344 A345 A351 Q352L344-Q348 WeakPolarHBondContact O-CB 3.41Å; L344-Q348 PolarHBondContact O-N 3.47Å; A345-Q348 PolarHBondContact O-N 2.82Å; Q348-A351 PolarHBondContact O-N 2.9Å; Q348-Q352 WeakPolarHBondContact O-CG 3.38Å; Q348-Q352 PolarHBondContact O-N 3.33Å
349Q89.1Confident80.8Confident109 Ų10993.1 Ų93.151%0.50948%0.475SS..Hα-helixtrans-62.4-43.6176.8-165.9-171.529.100111.7A345 A346 A351 Q352 K353A345-Q349 WeakPolarHBondContact O-CB 3.33Å; A345-Q349 PolarHBondContact O-N 3.23Å; A346-Q349 PolarHBondContact O-N 3.34Å; Q349-A351 VanDerWaalsContact C-N 3.33Å; Q349-A351 PolarHBondContact O-N 3.22Å; Q349-Q352 PolarHBondContact O-N 2.8Å; Q349-K353 PolarHBondContact O-N 2.96Å
350K88Confident78.7Confident139 Ų13997.4 Ų97.460%0.60450%0.499SS*.Hα-helixtrans-60-42.1174.3-74.9174.4179.2173.40111.5A346 Q347 R354A346-K350 WeakPolarHBondContact O-CG 3.24Å; A346-K350 PolarHBondContact O-N 2.91Å; Q347-K350 PolarHBondContact O-N 2.87Å; K350-R354 WeakPolarHBondContact O-CG 3.35Å; K350-R354 PolarHBondContact O-N 3.38Å
351A86.1Confident76.4Confident51 Ų51100.7 Ų100.742%0.42153%0.534SS..Hα-helixtrans-66.2-38.1177.100000112.9Q347 Q348 Q349 R354 R355Q347-A351 WeakPolarHBondContact O-CB 3.35Å; Q347-A351 PolarHBondContact O-N 3.41Å; Q348-A351 PolarHBondContact O-N 2.9Å; Q349-A351 VanDerWaalsContact C-N 3.33Å; Q349-A351 PolarHBondContact O-N 3.22Å; A351-R354 PolarHBondContact O-N 2.96Å; A351-R355 PolarHBondContact O-N 3.05Å
352Q85.6Confident74Confident115 Ų115106.2 Ų106.254%0.53755%0.551SS.*Hα-helixtrans-65.4-44.6176.1-75.4175.9-8.300112.2Q348 Q349 R354 R355 G356Q348-Q352 WeakPolarHBondContact O-CG 3.38Å; Q348-Q352 PolarHBondContact O-N 3.33Å; Q349-Q352 PolarHBondContact O-N 2.8Å; Q352-R354 VanDerWaalsContact C-N 3.28Å; Q352-R354 PolarHBondContact O-N 2.91Å; Q352-R355 PolarHBondContact O-N 3.19Å; Q352-G356 PolarHBondContact O-N 3.32Å
353K85.6Confident71.7Confident146 Ų146110.8 Ų110.864%0.63557%0.567SS**Hα-helixtrans-57.5-40.8175.9-72.8-178.8177.9-178.70112.1Q349 R355 G356 G357Q349-K353 PolarHBondContact O-N 2.96Å; K353-R355 VanDerWaalsContact C-N 3.29Å; K353-R355 PolarHBondContact O-N 3Å; K353-G356 PolarHBondContact O-N 2.84Å; K353-G357 PolarHBondContact O-N 2.76Å; K353-G357 VanDerWaalsContact O-N 3.09Å
354R82.3Confident69.5Low195 Ų195117.3 Ų117.374%0.73660%0.6SS**Hα-helixtrans-64.3-30.7175.7-69174.5-179-176.4-0.1113.3K350 A351 Q352K350-R354 WeakPolarHBondContact O-CG 3.35Å; K350-R354 PolarHBondContact O-N 3.38Å; A351-R354 PolarHBondContact O-N 2.96Å; Q352-R354 VanDerWaalsContact C-N 3.28Å; Q352-R354 PolarHBondContact O-N 2.91Å
355R71.1Confident67.2Low206 Ų206127.7 Ų127.778%0.77764%0.638SS**Hα-helixtrans-78.4-43.5174.8-72.3-177.4174.8179.9-1.6111.8A351 Q352 K353 G357 R358A351-R355 PolarHBondContact O-N 3.05Å; Q352-R355 PolarHBondContact O-N 3.19Å; K353-R355 VanDerWaalsContact C-N 3.29Å; K353-R355 PolarHBondContact O-N 3Å; R355-G357 VanDerWaalsContact C-N 3.32Å; R355-G357 PolarHBondContact O-N 2.92Å; R355-R358 PolarHBondContact O-N 3.04Å; R355-R358 VanDerWaalsContact O-N 3.09Å
356G60.3Low64.7Low50 Ų50132.7 Ų132.752%0.51566%0.657SS.*Hα-helixtrans-59.1-4117800000112.9Q352 K353 R358 S359Q352-G356 PolarHBondContact O-N 3.32Å; K353-G356 PolarHBondContact O-N 2.84Å; G356-R358 PolarHBondContact O-N 2.82Å; G356-R358 VanDerWaalsContact O-N 3.13Å; G356-S359 PolarHBondContact O-N 3.47Å
357G53.7Low62.6Low64 Ų64139.7 Ų139.766%0.6668%0.68SS**THydrogen-bonded Turntrans-65.6-12.1176.300000115.3K353 R355K353-G357 PolarHBondContact O-N 2.76Å; K353-G357 VanDerWaalsContact O-N 3.09Å; R355-G357 VanDerWaalsContact C-N 3.32Å; R355-G357 PolarHBondContact O-N 2.92Å
358R51.3Low60.4Low223 Ų223148.1 Ų148.184%0.84271%0.709SS**THydrogen-bonded Turntrans-90.3-16.2176.9-98.8178.6169.9150.7-2.5114.1R355 G356R355-R358 PolarHBondContact O-N 3.04Å; R355-R358 VanDerWaalsContact O-N 3.09Å; G356-R358 PolarHBondContact O-N 2.82Å; G356-R358 VanDerWaalsContact O-N 3.13Å
359S48.1Very low58.2Low98 Ų98153.3 Ų153.369%0.68572%0.724SS**THydrogen-bonded Turntrans-88.3-23.2-176.2-1620000113.8G356 G361G356-S359 PolarHBondContact O-N 3.47Å; S359-G361 VanDerWaalsContact C-N 3.26Å; S359-G361 PolarHBondContact O-N 3.12Å
360D47Very low55.7Low137 Ų137159.6 Ų159.673%0.73374%0.743SS**THydrogen-bonded Turntrans-81.5-5.4-175-1364.5000113.7R362D360-R362 PolarHBondContact O-N 3.33Å
361G44.5Very low53.8Low70 Ų70159.4 Ų159.472%0.72275%0.753SS**THydrogen-bonded Turntrans-83.20.7-179.200000116S359S359-G361 VanDerWaalsContact C-N 3.26Å; S359-G361 PolarHBondContact O-N 3.12Å
362R42.4Very low51.8Low237 Ų237168.2 Ų168.289%0.89479%0.793SS**SBendtrans-128.47.3-171.3-83.5-170.3-179.4-176.60.5118.1D360D360-R362 PolarHBondContact O-N 3.33Å
363Q42.6Very low50.2Low188 Ų188170.9 Ų170.988%0.87981%0.806SS**SBendtrans-123.96.7179.4-82.5-170.8-33.100117.7
364I42.5Very low48.3Very low146 Ų146172.2 Ų172.275%0.74982%0.815SS**  trans-108.980174.3-50.9177.5000110.2
365R39.7Very low46.4Very low235 Ų235170.9 Ų170.989%0.88782%0.82SS**SBendtrans-179.189.7153.2-102167.3-167.4-157.44.8109.2
366N38.6Very low45Very low160 Ų160168.8 Ų168.886%0.85682%0.822SS**  trans158.263.6143.3-81.8-9.8000112.4
367K43.1Very low44Very low186 Ų186176.3 Ų176.381%0.80984%0.841SS**  trans-142.461.6152.2-75.7-167.4-179.2168.60110.7R369K367-R369 PolarHBondContact O-N 3.18Å; K367-R369 VanDerWaalsContact O-N 3.1Å
368R40.2Very low43.3Very low253 Ų253183.7 Ų183.796%0.95585%0.853SS**  trans-7576.4148.2-74.8-175.1176.7176.6-1.4106.9R370R368-R370 PolarHBondContact O-N 3.03Å
369R39.5Very low42.8Very low212 Ų212180.9 Ų180.980%0.885%0.854SS**  trans-81103.3162.5-91.8-173.5173.8178-3.4106.2K367 T371K367-R369 PolarHBondContact O-N 3.18Å; K367-R369 VanDerWaalsContact O-N 3.1Å; R369-T371 PolarHBondContact O-N 3.16Å
370R37.9Very low42.4Very low241 Ų241187.3 Ų187.391%0.90987%0.867SS**  trans-55.6115.3160.7-72.3177.9170.3172.5-4.2107.4R368R368-R370 PolarHBondContact O-N 3.03Å
371T47.9Very low42Very low134 Ų134191.5 Ų191.582%0.82288%0.879SS**  trans-91.4107156.7420000106.2R369R369-T371 PolarHBondContact O-N 3.16Å
372N44.9Very low41.8Very low236 Ų236202.5 Ų202.5100%1.26289%0.893SS**  trans-83.20145.7-91.71.5000107.8

Retrieved 372 of 372 residues in 185.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).