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Biotin carboxylase

This protein is a component of the acetyl coenzyme A carboxylase complex; first, biotin carboxylase catalyzes the carboxylation of the carrier protein and then the transcarboxylase transfers the carboxyl group to form malonyl-CoA.

AlphaFold DB , UniProt , Accession P24182, Species ECOLI (Escherichia coli (strain K12)), Gene accC, Length 449 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M83.1Confident96.6Very high109 Ų10924.4 Ų24.454%0.53713%0.126SC..  0159.60-154.2104.2-138.800107.9L24 I26 R314M1-L24 HydrophobicContact CE-CD1 3.9Å; M1-L24 HydrophobicContact CE-CD2 4.37Å; M1-I26 HydrophobicContact CE-CD1 4.49Å; M1-I26 HydrophobicContact CG-CD1 4.04Å; M1-I26 HydrophobicContact CG-CG1 4.21Å; M1-R314 HydrophobicContact CE-CB 4.45Å; M1-R314 HydrophobicContact CE-CG 3.57Å
2L96.4Very high96.7Very high9 Ų922.9 Ų22.95%0.04712%0.118CC..  trans-66.6135.7171.1-53.9171.9000109I5 I26 V76 A77 I101 I103 L313 A316 A317L2-I5 HydrophobicContact CB-CG2 3.99Å; L2-I5 HydrophobicContact CD1-CG2 3.92Å; L2-I26 HydrophobicContact CB-CD1 4.37Å; L2-I26 HydrophobicContact CB-CG2 4.38Å; L2-I26 WeakPolarHBondContact O-CG1 3.34Å; L2-V76 HydrophobicContact CB-CG2 4.25Å; L2-V76 HydrophobicContact CD2-CG2 4.24Å; L2-A77 HydrophobicContact CD1-CB 3.96Å; L2-A77 HydrophobicContact CD2-CB 4.13Å; L2-I101 HydrophobicContact CD2-CD1 3.66Å; L2-I103 HydrophobicContact CD1-CD1 3.91Å; L2-I103 HydrophobicContact CD1-CG1 4.2Å; L2-L313 HydrophobicContact CD1-CD2 4.16Å; L2-A316 HydrophobicContact CD1-CB 4.4Å; L2-A317 HydrophobicContact CD2-CB 4.18Å; L2-A317 HydrophobicContact CG-CB 4.06Å
3D96.9Very high96.8Very high99 Ų9921.2 Ų21.253%0.52911%0.109SC..SBendtrans-86.1-44.4-179.1-178.146.2000112.2K27D3-K27 PolarHBondContact O-N 3.03Å
4K98.7Very high97Very high26 Ų2619.7 Ų19.711%0.11310%0.101CC..EExtended strand (participates in β ladder)trans-144.3137.1179-174.6-173.6-59.1-173.60111.1K27 V29 E47 T73 A75 V76K4-K27 CarbonylContact C-O 3.56Å; K4-K27 VanDerWaalsContact CA-O 3.29Å; K4-K27 WeakPolarHBondContact CA-O 3.36Å; K4-K27 HydrophobicContact CB-CB 3.99Å; K4-K27 HydrophobicContact CG-CB 3.87Å; K4-V29 HydrophobicContact CD-CG2 3.76Å; K4-V29 HydrophobicContact CG-CG2 4.04Å; K4-E47 WeakPolarHBondContact CE-OE1 3.27Å; K4-E47 IonicContact NZ-OE1 2.69Å; K4-E47 PolarHBondContact NZ-OE1 2.88Å; K4-E47 IonicContact NZ-OE2 3.31Å; K4-T73 WeakPolarHBondContact CD-O 3.39Å; K4-T73 PolarHBondContact NZ-O 2.89Å; K4-A75 HydrophobicContact CD-CB 4.32Å; K4-A75 HydrophobicContact CG-CB 4.21Å; K4-V76 VanDerWaalsContact O-CG2 3.32Å; K4-V76 WeakPolarHBondContact O-CG2 2.88Å; K4-V76 PolarHBondContact O-N 3.24Å
5I98.8Very high97.1Very high0 Ų018.6 Ų18.60%010%0.096CC..EExtended strand (participates in β ladder)trans-126.9153.4177.374.7156.3000112.8L2 I7 I17 C21 I26 K27 V29 A77 H79 I103 L313L2-I5 HydrophobicContact CB-CG2 3.99Å; L2-I5 HydrophobicContact CD1-CG2 3.92Å; I5-I7 HydrophobicContact CD1-CG1 4.2Å; I5-I7 HydrophobicContact CG1-CG1 4.45Å; I5-I17 HydrophobicContact CD1-CG2 4.07Å; I5-C21 WeakPolarHBondContact CD1-SG 3.3Å; I5-I26 HydrophobicContact CG1-CG2 4.43Å; I5-I26 HydrophobicContact CG2-CG2 3.89Å; I5-K27 PolarHBondContact N-O 2.93Å; I5-V29 PolarHBondContact O-N 3.39Å; I5-A77 CarbonylContact C-O 3.55Å; I5-A77 VanDerWaalsContact CA-O 3.25Å; I5-A77 WeakPolarHBondContact CA-O 3.46Å; I5-A77 HydrophobicContact CB-CB 4.46Å; I5-A77 WeakPolarHBondContact CB-O 3.39Å; I5-A77 HydrophobicContact CG2-CB 3.88Å; I5-H79 HydrophobicContact CD1-CB 3.82Å; I5-I103 HydrophobicContact CB-CD1 4.36Å; I5-I103 HydrophobicContact CD1-CD1 3.97Å; I5-I103 HydrophobicContact CG2-CD1 4.09Å; I5-L313 HydrophobicContact CD1-CD2 3.97Å
6V98.9Very high97.1Very high0 Ų018.4 Ų18.40%09%0.094CC..EExtended strand (participates in β ladder)trans-90.1128.2163.31790000109.8V29 V31 A70 A75 A77 I78 H79V6-V29 WeakPolarHBondContact CA-O 3.44Å; V6-V29 HydrophobicContact CG2-CB 4.09Å; V6-V29 HydrophobicContact CG2-CG1 4.29Å; V6-V31 HydrophobicContact CG1-CG1 3.57Å; V6-A70 HydrophobicContact CG2-CB 3.65Å; V6-A75 HydrophobicContact CG2-CB 3.63Å; V6-A77 PolarHBondContact N-O 3.08Å; V6-I78 HydrophobicContact CB-CG1 4.22Å; V6-I78 HydrophobicContact CB-CG2 4.28Å; V6-I78 HydrophobicContact CG1-CG2 4.45Å; V6-I78 CarbonylContact O-C 3.43Å; V6-I78 WeakPolarHBondContact O-CA 3.4Å; V6-H79 PolarHBondContact O-N 3.26Å
7I98.8Very high97.2Very high0 Ų017.4 Ų17.40%09%0.088CC..EExtended strand (participates in β ladder)trans-91.998.9169.9-56.4176.5000107.3I5 N9 A14 I17 L18 T28 V29 V31I5-I7 HydrophobicContact CD1-CG1 4.2Å; I5-I7 HydrophobicContact CG1-CG1 4.45Å; I7-N9 PolarHBondContact O-N 3.3Å; I7-N9 VanDerWaalsContact O-N 3.09Å; I7-A14 HydrophobicContact CG2-CB 3.78Å; I7-I17 HydrophobicContact CD1-CB 4.23Å; I7-I17 HydrophobicContact CD1-CG2 3.86Å; I7-I17 HydrophobicContact CG1-CB 4.49Å; I7-I17 HydrophobicContact CG1-CG2 3.79Å; I7-I17 HydrophobicContact CG2-CB 4.3Å; I7-I17 HydrophobicContact CG2-CD1 4.12Å; I7-I17 HydrophobicContact CG2-CG2 4.31Å; I7-L18 HydrophobicContact CD1-CB 3.7Å; I7-T28 HydrophobicContact CD1-CG2 4.08Å; I7-V29 PolarHBondContact N-O 2.78Å; I7-V31 WeakPolarHBondContact O-CG2 3.37Å
8A98.6Very high97.3Very high5 Ų516.5 Ų16.54%0.0418%0.084CC..  trans-86.348.1-175.500000112.6I66 I78 H79A8-I66 HydrophobicContact CB-CD1 4.44Å; A8-I66 HydrophobicContact CB-CG2 3.84Å; A8-I78 HydrophobicContact CB-CG2 3.58Å; A8-H79 PolarHBondContact N-O 3.22Å
9N98.4Very high97.4Very high4 Ų421.3 Ų21.32%0.02110%0.101CC..  trans-154.9179.4-179.7-146.4-47.8000111I7 I13 A14 P80 Y82 F84I7-N9 PolarHBondContact O-N 3.3Å; I7-N9 VanDerWaalsContact O-N 3.09Å; N9-I13 HydrophobicContact CB-CG2 4.37Å; N9-A14 WeakPolarHBondContact O-CB 3.45Å; N9-P80 PolarHBondContact ND2-O 2.9Å; N9-Y82 PolarHBondContact ND2-N 2.85Å; N9-Y82 PolarHBondContact ND2-O 2.7Å; N9-F84 WeakPolarHBondContact OD1-CE2 3.25Å
10R97.8Very high97.5Very high11 Ų1120.3 Ų20.34%0.04210%0.096CC..  trans-127.9-179.7-179.770.5-178.1-64.2-94.4-2.5112.3I13 A14 D36 L39 Y60 F84 Y381R10-I13 WeakPolarHBondContact O-CG2 3.41Å; R10-A14 PolarHBondContact O-N 3.14Å; R10-D36 IonicContact CZ-OD1 2.81Å; R10-D36 IonicContact CZ-OD2 3.85Å; R10-D36 IonicContact NE-OD1 2.71Å; R10-D36 PolarHBondContact NE-OD1 2.81Å; R10-D36 IonicContact NE-OD2 3.37Å; R10-D36 PolarHBondContact NE-OD2 3.49Å; R10-D36 IonicContact NH2-OD1 2.71Å; R10-D36 PolarHBondContact NH2-OD1 3.4Å; R10-D36 IonicContact NH2-OD2 3.63Å; R10-L39 HydrophobicContact CB-CD1 4.01Å; R10-Y60 HydrophobicContact CB-CE1 3.94Å; R10-Y60 HydrophobicContact CB-CE2 4.31Å; R10-Y60 HydrophobicContact CG-CE2 4.44Å; R10-F84 HydrophobicContact CG-CE2 3.9Å; R10-F84 HydrophobicContact CG-CZ 4.2Å; R10-Y381 VanDerWaalsContact CZ-CG 3.47Å; R10-Y381 VanDerWaalsContact NE-CD2 3.33Å; R10-Y381 VanDerWaalsContact NH1-CD2 3.33Å
11G96.6Very high97.5Very high5 Ų519.3 Ų19.35%0.0529%0.091CC..Hα-helixtrans68.3-143.4168.300000113.6L15 H370G11-L15 PolarHBondContact O-N 2.74Å; G11-H370 VanDerWaalsContact C-ND1 3.35Å; G11-H370 VanDerWaalsContact CA-ND1 3.28Å; G11-H370 WeakPolarHBondContact CA-ND1 3.24Å
12E97.6Very high98.2Very high7 Ų718.9 Ų18.93%0.0339%0.086CC..Hα-helixtrans-70.4-43.2-172.67977.7-162.900111.8A14 L15 R16 Y82 E368 H370 M384 K387E12-A14 VanDerWaalsContact C-N 3.32Å; E12-A14 PolarHBondContact O-N 3.31Å; E12-L15 CarbonylContact O-C 3.53Å; E12-L15 WeakPolarHBondContact O-CA 3.16Å; E12-L15 WeakPolarHBondContact O-CB 3.34Å; E12-L15 PolarHBondContact O-N 3.08Å; E12-R16 PolarHBondContact O-N 3.41Å; E12-Y82 PolarHBondContact OE1-OH 3.02Å; E12-E368 WeakPolarHBondContact OE2-CB 3.45Å; E12-H370 PolarHBondContact N-ND1 3.41Å; E12-H370 VanDerWaalsContact N-ND1 3.2Å; E12-M384 HydrophobicContact CG-CE 4.44Å; E12-K387 VanDerWaalsContact CD-NZ 3.3Å; E12-K387 HydrophobicContact CG-CD 4.4Å; E12-K387 HydrophobicContact CG-CG 4.48Å; E12-K387 WeakPolarHBondContact OE1-CD 3.26Å; E12-K387 WeakPolarHBondContact OE1-CE 3.1Å; E12-K387 IonicContact OE1-NZ 3.56Å; E12-K387 PolarHBondContact OE1-NZ 2.97Å; E12-K387 WeakPolarHBondContact OE2-CE 3.22Å; E12-K387 IonicContact OE2-NZ 3.75Å; E12-K387 PolarHBondContact OE2-NZ 2.67Å
13I98.3Very high98.3Very high1 Ų124.1 Ų24.11%0.00511%0.111CC..Hα-helixtrans-63.4-38.6-179.5-176.657.6000112.1N9 R10 L15 R16 I17 Y82 I293 I309N9-I13 HydrophobicContact CB-CG2 4.37Å; R10-I13 WeakPolarHBondContact O-CG2 3.41Å; I13-L15 VanDerWaalsContact C-N 3.28Å; I13-L15 PolarHBondContact O-N 3.43Å; I13-R16 PolarHBondContact O-N 3.23Å; I13-I17 HydrophobicContact CD1-CD1 4.25Å; I13-I17 HydrophobicContact CD1-CG1 4.29Å; I13-I17 HydrophobicContact CG1-CD1 3.92Å; I13-I17 HydrophobicContact CG1-CG1 4.46Å; I13-I17 WeakPolarHBondContact O-CD1 3.4Å; I13-I17 VanDerWaalsContact O-CG1 3.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.5Å; I13-I17 PolarHBondContact O-N 2.97Å; I13-Y82 HydrophobicContact CB-CD1 4.04Å; I13-Y82 HydrophobicContact CB-CE1 3.4Å; I13-Y82 HydrophobicContact CB-CE2 4.26Å; I13-Y82 VanDerWaalsContact CB-CZ 3.5Å; I13-Y82 HydrophobicContact CD1-CD1 4.02Å; I13-Y82 HydrophobicContact CD1-CE1 3.84Å; I13-Y82 HydrophobicContact CG1-CD1 3.72Å; I13-Y82 HydrophobicContact CG1-CE1 3.56Å; I13-Y82 HydrophobicContact CG1-CG 4.43Å; I13-Y82 HydrophobicContact CG2-CD1 4.38Å; I13-Y82 HydrophobicContact CG2-CD2 4.35Å; I13-Y82 HydrophobicContact CG2-CE1 3.89Å; I13-Y82 HydrophobicContact CG2-CE2 3.82Å; I13-I293 HydrophobicContact CD1-CG2 4.3Å; I13-I309 HydrophobicContact CD1-CD1 4.25Å
14A98.6Very high98.3Very high0 Ų021.3 Ų21.30%010%0.095CC..Hα-helixtrans-61.7-39174.300000111.6I7 N9 R10 E12 L18 H41I7-A14 HydrophobicContact CG2-CB 3.78Å; N9-A14 WeakPolarHBondContact O-CB 3.45Å; R10-A14 PolarHBondContact O-N 3.14Å; E12-A14 VanDerWaalsContact C-N 3.32Å; E12-A14 PolarHBondContact O-N 3.31Å; A14-L18 WeakPolarHBondContact O-CB 3.36Å; A14-L18 PolarHBondContact O-N 2.68Å; A14-H41 HydrophobicContact CB-CB 4.17Å
15L98.3Very high98.3Very high3 Ų323.1 Ų23.12%0.01612%0.121CC..Hα-helixtrans-69-38.6175.1-173.863000112.1G11 E12 I13 L18 R19 K40 H41 L44 S369G11-L15 PolarHBondContact O-N 2.74Å; E12-L15 CarbonylContact O-C 3.53Å; E12-L15 WeakPolarHBondContact O-CA 3.16Å; E12-L15 WeakPolarHBondContact O-CB 3.34Å; E12-L15 PolarHBondContact O-N 3.08Å; I13-L15 VanDerWaalsContact C-N 3.28Å; I13-L15 PolarHBondContact O-N 3.43Å; L15-L18 HydrophobicContact CD1-CD2 4.47Å; L15-L18 PolarHBondContact O-N 3.31Å; L15-R19 WeakPolarHBondContact O-CG 3.34Å; L15-R19 PolarHBondContact O-N 3.22Å; L15-K40 HydrophobicContact CD1-CG 4.49Å; L15-K40 HydrophobicContact CD2-CB 4.49Å; L15-K40 HydrophobicContact CD2-CG 4.26Å; L15-H41 HydrophobicContact CB-CB 3.99Å; L15-H41 HydrophobicContact CD1-CB 4.1Å; L15-L44 HydrophobicContact CD1-CD1 3.89Å; L15-S369 WeakPolarHBondContact CD2-O 3.36Å
16R98.5Very high98.3Very high16 Ų1623.2 Ų23.26%0.0612%0.122CC..Hα-helixtrans-63.1-43.2176.6173.757.2-176.91082.2111.7E12 I13 R19 A20 E301 D307 I309 E368E12-R16 PolarHBondContact O-N 3.41Å; I13-R16 PolarHBondContact O-N 3.23Å; R16-R19 PolarHBondContact O-N 3.5Å; R16-A20 PolarHBondContact O-N 3.47Å; R16-A20 VanDerWaalsContact O-N 3.09Å; R16-E301 IonicContact CZ-OE1 2.79Å; R16-E301 IonicContact NE-OE2 3.17Å; R16-E301 IonicContact NH2-OE1 3.85Å; R16-E301 PolarHBondContact NH2-OE1 2.85Å; R16-E301 IonicContact NH2-OE2 3.21Å; R16-E301 PolarHBondContact NH2-OE2 3.17Å; R16-D307 IonicContact CZ-OD1 2.69Å; R16-D307 IonicContact NH1-OD1 2.65Å; R16-D307 IonicContact NH1-OD2 2.63Å; R16-D307 IonicContact NH2-OD1 3.62Å; R16-D307 PolarHBondContact NH2-OD1 3.02Å; R16-D307 IonicContact NH2-OD2 2.74Å; R16-D307 PolarHBondContact NH2-OD2 3.48Å; R16-I309 HydrophobicContact CG-CG1 4.04Å; R16-E368 WeakPolarHBondContact CD-OE1 3.47Å; R16-E368 IonicContact NE-OE1 3.62Å
17I98.8Very high98.3Very high0 Ų028.1 Ų28.10%014%0.143CC..Hα-helixtrans-62.7-45.7173.5-64.6157.4000110.8I5 I7 I13 R19 A20 C21 H79 I309I5-I17 HydrophobicContact CD1-CG2 4.07Å; I7-I17 HydrophobicContact CD1-CB 4.23Å; I7-I17 HydrophobicContact CD1-CG2 3.86Å; I7-I17 HydrophobicContact CG1-CB 4.49Å; I7-I17 HydrophobicContact CG1-CG2 3.79Å; I7-I17 HydrophobicContact CG2-CB 4.3Å; I7-I17 HydrophobicContact CG2-CD1 4.12Å; I7-I17 HydrophobicContact CG2-CG2 4.31Å; I13-I17 HydrophobicContact CD1-CD1 4.25Å; I13-I17 HydrophobicContact CD1-CG1 4.29Å; I13-I17 HydrophobicContact CG1-CD1 3.92Å; I13-I17 HydrophobicContact CG1-CG1 4.46Å; I13-I17 WeakPolarHBondContact O-CD1 3.4Å; I13-I17 VanDerWaalsContact O-CG1 3.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.5Å; I13-I17 PolarHBondContact O-N 2.97Å; I17-R19 VanDerWaalsContact C-N 3.32Å; I17-R19 PolarHBondContact O-N 3.04Å; I17-A20 PolarHBondContact O-N 3.27Å; I17-C21 PolarHBondContact O-N 2.88Å; I17-C21 PolarHBondContact O-SG 3.32Å; I17-H79 WeakPolarHBondContact CD1-ND1 3.28Å; I17-H79 HydrophobicContact CG2-CB 4.11Å; I17-I309 HydrophobicContact CG1-CG2 4.16Å
18L98.7Very high98.3Very high2 Ų228.1 Ų28.11%0.0114%0.143CC..Hα-helixtrans-57.4-45.4177.7-179.9159000111.8I7 A14 L15 C21 K22 T28 H41 L44 A45I7-L18 HydrophobicContact CD1-CB 3.7Å; A14-L18 WeakPolarHBondContact O-CB 3.36Å; A14-L18 PolarHBondContact O-N 2.68Å; L15-L18 HydrophobicContact CD1-CD2 4.47Å; L15-L18 PolarHBondContact O-N 3.31Å; L18-C21 WeakPolarHBondContact O-CB 3.45Å; L18-C21 PolarHBondContact O-N 2.84Å; L18-K22 HydrophobicContact CD2-CD 3.82Å; L18-K22 HydrophobicContact CD2-CG 4.25Å; L18-K22 PolarHBondContact O-N 3.39Å; L18-T28 HydrophobicContact CG-CG2 4.41Å; L18-H41 HydrophobicContact CD1-CB 4.23Å; L18-H41 WeakPolarHBondContact CD1-O 3.4Å; L18-L44 HydrophobicContact CD1-CB 4.09Å; L18-L44 HydrophobicContact CD2-CB 4.31Å; L18-A45 HydrophobicContact CD1-CB 3.98Å
19R98.6Very high98.3Very high108 Ų10827.9 Ų27.941%0.40814%0.141SC..Hα-helixtrans-61.8-46.1177.6-73.4171.5175.5170.8-2.1111.8L15 R16 I17 C21 K22 E23L15-R19 WeakPolarHBondContact O-CG 3.34Å; L15-R19 PolarHBondContact O-N 3.22Å; R16-R19 PolarHBondContact O-N 3.5Å; I17-R19 VanDerWaalsContact C-N 3.32Å; I17-R19 PolarHBondContact O-N 3.04Å; R19-C21 VanDerWaalsContact C-N 3.29Å; R19-C21 PolarHBondContact O-N 3.21Å; R19-K22 PolarHBondContact O-N 3.32Å; R19-E23 WeakPolarHBondContact O-CG 3.5Å; R19-E23 PolarHBondContact O-N 3.42Å
20A98.7Very high98.3Very high0 Ų027.7 Ų27.70%014%0.14CC..Hα-helixtrans-58.1-42.4175.500000112.2R16 I17 E23 L24 I309 K310 L313R16-A20 PolarHBondContact O-N 3.47Å; R16-A20 VanDerWaalsContact O-N 3.09Å; I17-A20 PolarHBondContact O-N 3.27Å; A20-E23 PolarHBondContact O-N 2.88Å; A20-L24 WeakPolarHBondContact O-CG 3.4Å; A20-L24 PolarHBondContact O-N 3.33Å; A20-L24 VanDerWaalsContact O-N 3.15Å; A20-I309 HydrophobicContact CB-CB 4.05Å; A20-I309 HydrophobicContact CB-CG2 3.49Å; A20-I309 VanDerWaalsContact CB-CG2 3.49Å; A20-K310 HydrophobicContact CB-CG 4.17Å; A20-L313 HydrophobicContact CB-CD1 4.08Å
21C98.7Very high98.4Very high0 Ų027.2 Ų27.20%014%0.138CC..Hα-helixtrans-62.5-46.2177.4-680000111.4I5 I17 L18 R19 E23 L24 G25 I26 T28I5-C21 WeakPolarHBondContact CD1-SG 3.3Å; I17-C21 PolarHBondContact O-N 2.88Å; I17-C21 PolarHBondContact O-SG 3.32Å; L18-C21 WeakPolarHBondContact O-CB 3.45Å; L18-C21 PolarHBondContact O-N 2.84Å; R19-C21 VanDerWaalsContact C-N 3.29Å; R19-C21 PolarHBondContact O-N 3.21Å; C21-E23 VanDerWaalsContact C-N 3.32Å; C21-E23 PolarHBondContact O-N 3.06Å; C21-L24 CarbonylContact O-C 3.58Å; C21-L24 WeakPolarHBondContact O-CA 3.17Å; C21-L24 PolarHBondContact O-N 3.07Å; C21-G25 PolarHBondContact O-N 2.84Å; C21-I26 CarbonylContact C-O 3.53Å; C21-I26 HydrophobicContact CB-CB 3.94Å; C21-I26 HydrophobicContact CB-CG2 4.37Å; C21-I26 PolarHBondContact O-N 3.41Å; C21-T28 HydrophobicContact CB-CG2 3.35Å
22K97.9Very high98.4Very high101 Ų10127.2 Ų27.244%0.43914%0.137SC..Hα-helixtrans-59.9-41.9177.4-74.1-169.9176.2-173.60112.6L18 R19 L24 G25 L44L18-K22 HydrophobicContact CD2-CD 3.82Å; L18-K22 HydrophobicContact CD2-CG 4.25Å; L18-K22 PolarHBondContact O-N 3.39Å; R19-K22 PolarHBondContact O-N 3.32Å; K22-L24 PolarHBondContact O-N 3.03Å; K22-G25 PolarHBondContact O-N 3.45Å; K22-G25 VanDerWaalsContact O-N 3.14Å; K22-L44 WeakPolarHBondContact CE-O 3.37Å; K22-L44 PolarHBondContact NZ-O 3.12Å
23E98.1Very high98.5Very high118 Ų11826.9 Ų26.955%0.55114%0.136SC*.Hα-helixtrans-65.2-24.9176.6-69.2168.7-147.700112.9R19 A20 C21 K310R19-E23 WeakPolarHBondContact O-CG 3.5Å; R19-E23 PolarHBondContact O-N 3.42Å; A20-E23 PolarHBondContact O-N 2.88Å; C21-E23 VanDerWaalsContact C-N 3.32Å; C21-E23 PolarHBondContact O-N 3.06Å; E23-K310 WeakPolarHBondContact OE2-CE 3.3Å; E23-K310 IonicContact OE2-NZ 3.84Å; E23-K310 PolarHBondContact OE2-NZ 3.06Å
24L97.9Very high98.5Very high40 Ų4029.7 Ų29.721%0.20916%0.155CC..THydrogen-bonded Turntrans-96.81.6175.6-68.1175.9000113.7M1 A20 C21 K22 I26 K310 L313M1-L24 HydrophobicContact CE-CD1 3.9Å; M1-L24 HydrophobicContact CE-CD2 4.37Å; A20-L24 WeakPolarHBondContact O-CG 3.4Å; A20-L24 PolarHBondContact O-N 3.33Å; A20-L24 VanDerWaalsContact O-N 3.15Å; C21-L24 CarbonylContact O-C 3.58Å; C21-L24 WeakPolarHBondContact O-CA 3.17Å; C21-L24 PolarHBondContact O-N 3.07Å; K22-L24 PolarHBondContact O-N 3.03Å; L24-I26 VanDerWaalsContact C-N 3.29Å; L24-I26 HydrophobicContact CB-CD1 3.87Å; L24-I26 HydrophobicContact CB-CG1 3.86Å; L24-I26 HydrophobicContact CD1-CD1 4.08Å; L24-I26 PolarHBondContact O-N 3.02Å; L24-K310 HydrophobicContact CD1-CB 4.11Å; L24-K310 HydrophobicContact CD1-CD 4.42Å; L24-K310 HydrophobicContact CD1-CG 3.77Å; L24-K310 HydrophobicContact CD2-CD 4.23Å; L24-K310 HydrophobicContact CD2-CG 4.45Å; L24-K310 HydrophobicContact CG-CD 4.25Å; L24-K310 HydrophobicContact CG-CG 4.09Å; L24-L313 HydrophobicContact CD1-CB 4.16Å; L24-L313 HydrophobicContact CD1-CD1 3.87Å
25G97.7Very high98.3Very high64 Ų6431.4 Ų31.466%0.6617%0.169SC*.THydrogen-bonded Turntrans69.622.4-176.800000114.7C21 K22C21-G25 PolarHBondContact O-N 2.84Å; K22-G25 PolarHBondContact O-N 3.45Å; K22-G25 VanDerWaalsContact O-N 3.14Å
26I98.7Very high98.3Very high3 Ų331.2 Ų31.22%0.01517%0.169CC..  trans-92.2128.3179.8-53.5177.5000109M1 L2 I5 C21 L24 L313M1-I26 HydrophobicContact CE-CD1 4.49Å; M1-I26 HydrophobicContact CG-CD1 4.04Å; M1-I26 HydrophobicContact CG-CG1 4.21Å; L2-I26 HydrophobicContact CB-CD1 4.37Å; L2-I26 HydrophobicContact CB-CG2 4.38Å; L2-I26 WeakPolarHBondContact O-CG1 3.34Å; I5-I26 HydrophobicContact CG1-CG2 4.43Å; I5-I26 HydrophobicContact CG2-CG2 3.89Å; C21-I26 CarbonylContact C-O 3.53Å; C21-I26 HydrophobicContact CB-CB 3.94Å; C21-I26 HydrophobicContact CB-CG2 4.37Å; C21-I26 PolarHBondContact O-N 3.41Å; L24-I26 VanDerWaalsContact C-N 3.29Å; L24-I26 HydrophobicContact CB-CD1 3.87Å; L24-I26 HydrophobicContact CB-CG1 3.86Å; L24-I26 HydrophobicContact CD1-CD1 4.08Å; L24-I26 PolarHBondContact O-N 3.02Å; I26-L313 HydrophobicContact CD1-CB 4.46Å; I26-L313 HydrophobicContact CD1-CD1 4.33Å; I26-L313 HydrophobicContact CD1-CD2 4.48Å
27K98.8Very high98.2Very high103 Ų10337.4 Ų37.445%0.44819%0.192SC..EExtended strand (participates in β ladder)trans-71.5148.5175.9-66.3178-176.2169.30111.4D3 K4 I5 D46D3-K27 PolarHBondContact O-N 3.03Å; K4-K27 CarbonylContact C-O 3.56Å; K4-K27 VanDerWaalsContact CA-O 3.29Å; K4-K27 WeakPolarHBondContact CA-O 3.36Å; K4-K27 HydrophobicContact CB-CB 3.99Å; K4-K27 HydrophobicContact CG-CB 3.87Å; I5-K27 PolarHBondContact N-O 2.93Å; K27-D46 WeakPolarHBondContact CA-OD2 3.48Å
28T98.8Very high98Very high0 Ų041.9 Ų41.90%022%0.216CC..EExtended strand (participates in β ladder)trans-125.3132.6-171.555.50000112.3I7 L18 C21 D46 E47I7-T28 HydrophobicContact CD1-CG2 4.08Å; L18-T28 HydrophobicContact CG-CG2 4.41Å; C21-T28 HydrophobicContact CB-CG2 3.35Å; T28-D46 PolarHBondContact N-OD2 3.41Å; T28-D46 PolarHBondContact O-N 3.39Å; T28-D46 VanDerWaalsContact O-N 3.15Å; T28-D46 PolarHBondContact OG1-N 2.87Å; T28-D46 PolarHBondContact OG1-OD2 2.95Å; T28-E47 PolarHBondContact O-N 3Å; T28-E47 VanDerWaalsContact O-N 3.1Å
29V98.8Very high97.8Very high0 Ų041.8 Ų41.80%022%0.215CC..EExtended strand (participates in β ladder)trans-109.7114.7168.2-1790000107.8K4 I5 V6 I7 E47 V49 T73K4-V29 HydrophobicContact CD-CG2 3.76Å; K4-V29 HydrophobicContact CG-CG2 4.04Å; I5-V29 PolarHBondContact O-N 3.39Å; V6-V29 WeakPolarHBondContact CA-O 3.44Å; V6-V29 HydrophobicContact CG2-CB 4.09Å; V6-V29 HydrophobicContact CG2-CG1 4.29Å; I7-V29 PolarHBondContact N-O 2.78Å; V29-E47 CarbonylContact C-O 3.5Å; V29-E47 VanDerWaalsContact CA-O 3.32Å; V29-E47 WeakPolarHBondContact CA-O 3.26Å; V29-E47 HydrophobicContact CG2-CB 4.14Å; V29-V49 HydrophobicContact CG1-CG2 3.99Å; V29-T73 HydrophobicContact CG1-CG2 3.8Å; V29-T73 HydrophobicContact CG2-CG2 4.03Å
30A98.8Very high97.6Very high0 Ų040.5 Ų40.50%021%0.212CC..EExtended strand (participates in β ladder)trans-88.3118.5172.500000110.2V42 A45 E47 T48 V49A30-V42 HydrophobicContact CB-CG2 4.34Å; A30-A45 HydrophobicContact CB-CB 3.59Å; A30-E47 PolarHBondContact N-O 3.33Å; A30-T48 HydrophobicContact CB-CG2 4.4Å; A30-T48 CarbonylContact O-C 3.48Å; A30-T48 VanDerWaalsContact O-CA 3.26Å; A30-T48 WeakPolarHBondContact O-CA 3.37Å; A30-V49 PolarHBondContact O-N 3.38Å
31V98.7Very high97.5Very high0 Ų040.5 Ų40.50%021%0.212CC..EExtended strand (participates in β ladder)trans-83.4144.7165.2-58.80000109.8V6 I7 V49 I51 A69V6-V31 HydrophobicContact CG1-CG1 3.57Å; I7-V31 WeakPolarHBondContact O-CG2 3.37Å; V31-V49 VanDerWaalsContact CA-O 3.32Å; V31-V49 WeakPolarHBondContact CA-O 3.06Å; V31-I51 HydrophobicContact CB-CD1 3.92Å; V31-I51 HydrophobicContact CB-CG1 4.16Å; V31-I51 HydrophobicContact CB-CG2 3.67Å; V31-I51 HydrophobicContact CG1-CG2 3.72Å; V31-I51 HydrophobicContact CG2-CD1 3.76Å; V31-A69 HydrophobicContact CG1-CB 3.79Å
32H98.5Very high97.4Very high6 Ų640.9 Ų40.93%0.02822%0.215CC..EExtended strand (participates in β ladder)trans-147.7153.2177.366.690.6000111.6D36 V42 V49 C50 I51H32-D36 HydrophobicContact CB-CB 4.18Å; H32-V42 HydrophobicContact CB-CG2 3.66Å; H32-V49 PolarHBondContact CD2-O 3.48Å; H32-V49 PolarHBondContact N-O 2.76Å; H32-C50 CarbonylContact O-C 3.46Å; H32-C50 VanDerWaalsContact O-CA 3.32Å; H32-C50 WeakPolarHBondContact O-CA 3.37Å; H32-I51 WeakPolarHBondContact O-CG1 3.11Å; H32-I51 PolarHBondContact O-N 3.46Å
33S98.4Very high97.3Very high0 Ų040.7 Ų40.70%022%0.218CC..EExtended strand (participates in β ladder)trans-75.5168.7164.280.20000110.6A35 D36 R37 G52 Y60 Y381S33-A35 PolarHBondContact O-N 2.99Å; S33-A35 PolarHBondContact OG-N 2.89Å; S33-A35 VanDerWaalsContact OG-N 3.14Å; S33-D36 PolarHBondContact O-N 3.04Å; S33-D36 VanDerWaalsContact O-N 3.1Å; S33-D36 PolarHBondContact OG-N 3.15Å; S33-R37 PolarHBondContact O-N 3.21Å; S33-G52 CarbonylContact C-O 3.6Å; S33-G52 VanDerWaalsContact CA-O 3.29Å; S33-G52 WeakPolarHBondContact CA-O 3.18Å; S33-Y60 PolarHBondContact N-OH 3.19Å; S33-Y381 VanDerWaalsContact CB-OH 3.23Å; S33-Y381 WeakPolarHBondContact CB-OH 3.26Å; S33-Y381 PolarHBondContact OG-OH 2.62Å
34S97.6Very high97.3Very high59 Ų5938.2 Ų38.241%0.41321%0.209SC..G310 helixtrans-57.9-28.6171.367.50000113.3D36 G52 P53S34-D36 VanDerWaalsContact C-N 3.32Å; S34-G52 PolarHBondContact N-O 3.31Å; S34-P53 WeakPolarHBondContact OG-CA 3.43Å
35A96.4Very high97.3Very high36 Ų3637.2 Ų37.230%0.29821%0.206SC..G310 helixtrans-78.6-17.2179.900000113.2S33 A54 Y380 Y381S33-A35 PolarHBondContact O-N 2.99Å; S33-A35 PolarHBondContact OG-N 2.89Å; S33-A35 VanDerWaalsContact OG-N 3.14Å; A35-A54 HydrophobicContact CB-CB 3.78Å; A35-Y380 HydrophobicContact CB-CD2 3.85Å; A35-Y380 HydrophobicContact CB-CE2 3.98Å; A35-Y381 HydrophobicContact CB-CE2 4.41Å
36D96.9Very high97.4Very high0 Ų038.3 Ų38.30%020%0.197CC..G310 helixtrans-110.511.3-173.9-79-30.8000113.5R10 H32 S33 S34 D38 L39 Y60 Y381R10-D36 IonicContact CZ-OD1 2.81Å; R10-D36 IonicContact CZ-OD2 3.85Å; R10-D36 IonicContact NE-OD1 2.71Å; R10-D36 PolarHBondContact NE-OD1 2.81Å; R10-D36 IonicContact NE-OD2 3.37Å; R10-D36 PolarHBondContact NE-OD2 3.49Å; R10-D36 IonicContact NH2-OD1 2.71Å; R10-D36 PolarHBondContact NH2-OD1 3.4Å; R10-D36 IonicContact NH2-OD2 3.63Å; H32-D36 HydrophobicContact CB-CB 4.18Å; S33-D36 PolarHBondContact O-N 3.04Å; S33-D36 VanDerWaalsContact O-N 3.1Å; S33-D36 PolarHBondContact OG-N 3.15Å; S34-D36 VanDerWaalsContact C-N 3.32Å; D36-D38 PolarHBondContact O-N 2.99Å; D36-L39 HydrophobicContact CB-CD1 3.59Å; D36-L39 HydrophobicContact CB-CG 3.92Å; D36-L39 VanDerWaalsContact O-CB 3.32Å; D36-L39 WeakPolarHBondContact O-CB 3.48Å; D36-L39 PolarHBondContact O-N 2.85Å; D36-L39 WeakPolarHBondContact OD1-CD1 3.5Å; D36-Y60 VanDerWaalsContact CB-OH 3.31Å; D36-Y60 WeakPolarHBondContact CB-OH 3.21Å; D36-Y60 VanDerWaalsContact OD2-CE2 3.27Å; D36-Y60 WeakPolarHBondContact OD2-CE2 3.48Å; D36-Y60 VanDerWaalsContact OD2-CZ 3.31Å; D36-Y60 PolarHBondContact OD2-OH 2.95Å; D36-Y381 VanDerWaalsContact OD2-CE2 3.24Å; D36-Y381 WeakPolarHBondContact OD2-CE2 3.29Å
37R96Very high97.4Very high146 Ų14641.7 Ų41.755%0.55121%0.212SC*.THydrogen-bonded Turntrans-49.5-35.6-179.7-178.7-174-64.7-90.80.9113.2S33 V42S33-R37 PolarHBondContact O-N 3.21Å; R37-V42 WeakPolarHBondContact O-CG1 3.44Å
38D95.1Very high97.3Very high94 Ų9440.1 Ų40.150%0.50321%0.211SC..THydrogen-bonded Turntrans-96.18.8-175.8-54.3-43.6000113D36 Y372D36-D38 PolarHBondContact O-N 2.99Å; D38-Y372 PolarHBondContact O-OH 2.61Å
39L94.8Very high97.3Very high0 Ų041.1 Ų41.10%022%0.217CC..  trans-63.4144177.6-83.3-175.5000112R10 D36 H41 V42 L43 H370 Y375R10-L39 HydrophobicContact CB-CD1 4.01Å; D36-L39 HydrophobicContact CB-CD1 3.59Å; D36-L39 HydrophobicContact CB-CG 3.92Å; D36-L39 VanDerWaalsContact O-CB 3.32Å; D36-L39 WeakPolarHBondContact O-CB 3.48Å; D36-L39 PolarHBondContact O-N 2.85Å; D36-L39 WeakPolarHBondContact OD1-CD1 3.5Å; L39-H41 VanDerWaalsContact C-N 3.28Å; L39-H41 VanDerWaalsContact CD1-CE1 3.41Å; L39-H41 WeakPolarHBondContact CD1-CE1 3.36Å; L39-H41 PolarHBondContact O-N 2.65Å; L39-H41 VanDerWaalsContact O-N 3.17Å; L39-V42 HydrophobicContact CB-CG2 3.97Å; L39-V42 WeakPolarHBondContact O-CA 3.42Å; L39-V42 WeakPolarHBondContact O-CB 3.49Å; L39-V42 PolarHBondContact O-N 2.78Å; L39-L43 WeakPolarHBondContact O-CG 3.16Å; L39-L43 PolarHBondContact O-N 3.4Å; L39-H370 HydrophobicContact CD2-CB 4.26Å; L39-H370 WeakPolarHBondContact CD2-CD2 3.09Å; L39-Y375 HydrophobicContact CD2-CE1 4.33Å; L39-Y375 HydrophobicContact CD2-CE2 3.69Å; L39-Y375 VanDerWaalsContact CD2-CZ 3.49Å; L39-Y375 WeakPolarHBondContact CD2-OH 3.21Å; L39-Y375 HydrophobicContact CG-CE2 4.42Å
40K94.2Very high97.3Very high80 Ų8044.1 Ų44.135%0.34824%0.238SC..Hα-helixtrans-58.1-36.6-174.8-166.265.8171.3-175.40114L15 V42 L43 L44 H370 Y372L15-K40 HydrophobicContact CD1-CG 4.49Å; L15-K40 HydrophobicContact CD2-CB 4.49Å; L15-K40 HydrophobicContact CD2-CG 4.26Å; K40-V42 VanDerWaalsContact C-N 3.34Å; K40-L43 PolarHBondContact O-N 2.93Å; K40-L44 HydrophobicContact CD-CD1 4.29Å; K40-L44 HydrophobicContact CG-CD1 3.94Å; K40-L44 WeakPolarHBondContact O-CB 3.43Å; K40-L44 VanDerWaalsContact O-CG 3.24Å; K40-L44 WeakPolarHBondContact O-CG 3.35Å; K40-L44 PolarHBondContact O-N 3.36Å; K40-H370 HydrophobicContact CB-CB 4.37Å; K40-H370 WeakPolarHBondContact CB-O 3.22Å; K40-Y372 HydrophobicContact CD-CD1 4.31Å
41H96.1Very high97.3Very high0 Ų044.7 Ų44.70%024%0.241CC..Hα-helixtrans-69.5-32.8177.172.3-88.7000112.2A14 L15 L18 L39 L44 A45A14-H41 HydrophobicContact CB-CB 4.17Å; L15-H41 HydrophobicContact CB-CB 3.99Å; L15-H41 HydrophobicContact CD1-CB 4.1Å; L18-H41 HydrophobicContact CD1-CB 4.23Å; L18-H41 WeakPolarHBondContact CD1-O 3.4Å; L39-H41 VanDerWaalsContact C-N 3.28Å; L39-H41 VanDerWaalsContact CD1-CE1 3.41Å; L39-H41 WeakPolarHBondContact CD1-CE1 3.36Å; L39-H41 PolarHBondContact O-N 2.65Å; L39-H41 VanDerWaalsContact O-N 3.17Å; H41-L44 PolarHBondContact O-N 3.29Å; H41-A45 WeakPolarHBondContact O-CB 3.4Å; H41-A45 PolarHBondContact O-N 3.25Å; H41-A45 VanDerWaalsContact O-N 3.08Å
42V97.6Very high97.3Very high8 Ų845.5 Ų45.55%0.04825%0.249CC..Hα-helixtrans-66.5-47175.2-176.90000109.7A30 H32 R37 L39 K40 L44 A45 T48A30-V42 HydrophobicContact CB-CG2 4.34Å; H32-V42 HydrophobicContact CB-CG2 3.66Å; R37-V42 WeakPolarHBondContact O-CG1 3.44Å; L39-V42 HydrophobicContact CB-CG2 3.97Å; L39-V42 WeakPolarHBondContact O-CA 3.42Å; L39-V42 WeakPolarHBondContact O-CB 3.49Å; L39-V42 PolarHBondContact O-N 2.78Å; K40-V42 VanDerWaalsContact C-N 3.34Å; V42-L44 PolarHBondContact O-N 2.95Å; V42-A45 PolarHBondContact O-N 3.09Å; V42-T48 HydrophobicContact CG1-CG2 3.58Å; V42-T48 WeakPolarHBondContact O-CG2 3.26Å
43L96.5Very high97.2Very high98 Ų9848.1 Ų48.151%0.51327%0.267SS..Hα-helixtrans-65.7-18.1179.2-60.3178.3000114.3L39 K40L39-L43 WeakPolarHBondContact O-CG 3.16Å; L39-L43 PolarHBondContact O-N 3.4Å; K40-L43 PolarHBondContact O-N 2.93Å
44L97.5Very high97.2Very high66 Ų6648.6 Ų48.635%0.34627%0.271SS..Hα-helixtrans-109-9.9-176.1-69.5177.9000113.8L15 L18 K22 K40 H41 V42L15-L44 HydrophobicContact CD1-CD1 3.89Å; L18-L44 HydrophobicContact CD1-CB 4.09Å; L18-L44 HydrophobicContact CD2-CB 4.31Å; K22-L44 WeakPolarHBondContact CE-O 3.37Å; K22-L44 PolarHBondContact NZ-O 3.12Å; K40-L44 HydrophobicContact CD-CD1 4.29Å; K40-L44 HydrophobicContact CG-CD1 3.94Å; K40-L44 WeakPolarHBondContact O-CB 3.43Å; K40-L44 VanDerWaalsContact O-CG 3.24Å; K40-L44 WeakPolarHBondContact O-CG 3.35Å; K40-L44 PolarHBondContact O-N 3.36Å; H41-L44 PolarHBondContact O-N 3.29Å; V42-L44 PolarHBondContact O-N 2.95Å
45A98.2Very high97.2Very high18 Ų1848.9 Ų48.915%0.14927%0.271CS..SBendtrans-71.4157.6179.400000110.9L18 A30 H41 V42 E47 T48L18-A45 HydrophobicContact CD1-CB 3.98Å; A30-A45 HydrophobicContact CB-CB 3.59Å; H41-A45 WeakPolarHBondContact O-CB 3.4Å; H41-A45 PolarHBondContact O-N 3.25Å; H41-A45 VanDerWaalsContact O-N 3.08Å; V42-A45 PolarHBondContact O-N 3.09Å; A45-E47 VanDerWaalsContact C-N 3.3Å; A45-E47 WeakPolarHBondContact CB-O 3.16Å; A45-T48 HydrophobicContact CB-CG2 4.32Å
46D98.5Very high97.2Very high88 Ų8848.4 Ų48.447%0.47127%0.266SS..SBendtrans-70.3-35177.5-54-76.4000110.7K27 T28K27-D46 WeakPolarHBondContact CA-OD2 3.48Å; T28-D46 PolarHBondContact N-OD2 3.41Å; T28-D46 PolarHBondContact O-N 3.39Å; T28-D46 VanDerWaalsContact O-N 3.15Å; T28-D46 PolarHBondContact OG1-N 2.87Å; T28-D46 PolarHBondContact OG1-OD2 2.95Å
47E98.3Very high97.1Very high73 Ų7353.5 Ų53.534%0.34130%0.297SS..EExtended strand (participates in β ladder)trans-140.7156.8176.2-70.5174.2-113.800110.4K4 T28 V29 A30 A45K4-E47 WeakPolarHBondContact CE-OE1 3.27Å; K4-E47 IonicContact NZ-OE1 2.69Å; K4-E47 PolarHBondContact NZ-OE1 2.88Å; K4-E47 IonicContact NZ-OE2 3.31Å; T28-E47 PolarHBondContact O-N 3Å; T28-E47 VanDerWaalsContact O-N 3.1Å; V29-E47 CarbonylContact C-O 3.5Å; V29-E47 VanDerWaalsContact CA-O 3.32Å; V29-E47 WeakPolarHBondContact CA-O 3.26Å; V29-E47 HydrophobicContact CG2-CB 4.14Å; A30-E47 PolarHBondContact N-O 3.33Å; A45-E47 VanDerWaalsContact C-N 3.3Å; A45-E47 WeakPolarHBondContact CB-O 3.16Å
48T98.3Very high97.1Very high70 Ų7052.6 Ų52.643%0.42930%0.297SS..EExtended strand (participates in β ladder)trans-138.9140.9-179.665.80000111.1A30 V42 A45A30-T48 HydrophobicContact CB-CG2 4.4Å; A30-T48 CarbonylContact O-C 3.48Å; A30-T48 VanDerWaalsContact O-CA 3.26Å; A30-T48 WeakPolarHBondContact O-CA 3.37Å; V42-T48 HydrophobicContact CG1-CG2 3.58Å; V42-T48 WeakPolarHBondContact O-CG2 3.26Å; A45-T48 HydrophobicContact CB-CG2 4.32Å
49V98.5Very high97.3Very high21 Ų2148.1 Ų48.113%0.12727%0.273CS..EExtended strand (participates in β ladder)trans-130.3125.3176.9-1780000110.4V29 A30 V31 H32 I51 A69 I72 T73V29-V49 HydrophobicContact CG1-CG2 3.99Å; A30-V49 PolarHBondContact O-N 3.38Å; V31-V49 VanDerWaalsContact CA-O 3.32Å; V31-V49 WeakPolarHBondContact CA-O 3.06Å; H32-V49 PolarHBondContact CD2-O 3.48Å; H32-V49 PolarHBondContact N-O 2.76Å; V49-I51 HydrophobicContact CG1-CG2 4.41Å; V49-I51 PolarHBondContact O-N 3.1Å; V49-A69 HydrophobicContact CB-CB 3.95Å; V49-A69 HydrophobicContact CG1-CB 3.73Å; V49-A69 HydrophobicContact CG2-CB 4.22Å; V49-I72 HydrophobicContact CG1-CD1 4.13Å; V49-I72 HydrophobicContact CG2-CD1 4.26Å; V49-T73 HydrophobicContact CG2-CG2 3.63Å
50C98.5Very high97.4Very high64 Ų6448.1 Ų48.143%0.43227%0.273SS..EExtended strand (participates in β ladder)trans-76.8117171.2-174.80000109.6H32H32-C50 CarbonylContact O-C 3.46Å; H32-C50 VanDerWaalsContact O-CA 3.32Å; H32-C50 WeakPolarHBondContact O-CA 3.37Å
51I98.4Very high97.6Very high11 Ų1147.5 Ų47.56%0.05627%0.273CS..EExtended strand (participates in β ladder)trans-98.9-0.1-175.954.8166.7000114V31 H32 V49 S59 Y60 A65 I66 A69V31-I51 HydrophobicContact CB-CD1 3.92Å; V31-I51 HydrophobicContact CB-CG1 4.16Å; V31-I51 HydrophobicContact CB-CG2 3.67Å; V31-I51 HydrophobicContact CG1-CG2 3.72Å; V31-I51 HydrophobicContact CG2-CD1 3.76Å; H32-I51 WeakPolarHBondContact O-CG1 3.11Å; H32-I51 PolarHBondContact O-N 3.46Å; V49-I51 HydrophobicContact CG1-CG2 4.41Å; V49-I51 PolarHBondContact O-N 3.1Å; I51-S59 WeakPolarHBondContact CD1-O 3.31Å; I51-Y60 HydrophobicContact CD1-CD1 3.97Å; I51-Y60 HydrophobicContact CD1-CE1 4.31Å; I51-A65 HydrophobicContact CB-CB 4.03Å; I51-A65 HydrophobicContact CG2-CB 4.38Å; I51-A65 WeakPolarHBondContact O-CB 3.47Å; I51-I66 HydrophobicContact CD1-CD1 4.45Å; I51-I66 HydrophobicContact CD1-CG1 3.99Å; I51-A69 HydrophobicContact CG2-CB 4.17Å
52G98.2Very high97.7Very high18 Ų1849.9 Ų49.919%0.18629%0.285CS..EExtended strand (participates in β ladder)trans149.3-172.4174.900000114.6S33 S34S33-G52 CarbonylContact C-O 3.6Å; S33-G52 VanDerWaalsContact CA-O 3.29Å; S33-G52 WeakPolarHBondContact CA-O 3.18Å; S34-G52 PolarHBondContact N-O 3.31Å
53P98.1Very high97.7Very high60 Ų6050.6 Ų50.639%0.3929%0.289SS..SBendtrans-74.9176.5179.232.6-35.8000112.3S34 P55 K58 S59S34-P53 WeakPolarHBondContact OG-CA 3.43Å; P53-P55 VanDerWaalsContact C-CD 3.45Å; P53-K58 HydrophobicContact CG-CB 3.7Å; P53-K58 HydrophobicContact CG-CD 3.91Å; P53-K58 HydrophobicContact CG-CG 4.45Å; P53-S59 VanDerWaalsContact O-CB 3.27Å; P53-S59 WeakPolarHBondContact O-CB 3.34Å; P53-S59 PolarHBondContact O-OG 3.21Å
54A97.3Very high97.8Very high10 Ų1049.8 Ų49.88%0.08329%0.29CS..SBendtrans-50.5-44.3-176.200000116.1A35 S56 Y380 Y381A35-A54 HydrophobicContact CB-CB 3.78Å; A54-S56 PolarHBondContact O-N 3.15Å; A54-Y380 HydrophobicContact CB-CD1 4.06Å; A54-Y380 HydrophobicContact CB-CD2 3.53Å; A54-Y380 HydrophobicContact CB-CE1 4.16Å; A54-Y380 HydrophobicContact CB-CE2 3.64Å; A54-Y380 HydrophobicContact CB-CG 3.74Å; A54-Y381 WeakPolarHBondContact O-CE1 3.25Å; A54-Y381 PolarHBondContact O-OH 3.36Å
55P97.3Very high97.9Very high65 Ų6547.8 Ų47.842%0.42228%0.282SS..SBendtrans-60.3126-177.7-2434.9000112.1P53 V57 K58 S59P53-P55 VanDerWaalsContact C-CD 3.45Å; P55-V57 HydrophobicContact CB-CG2 4.31Å; P55-V57 PolarHBondContact O-N 3.13Å; P55-V57 VanDerWaalsContact O-N 3.15Å; P55-K58 WeakPolarHBondContact O-CA 3.27Å; P55-K58 PolarHBondContact O-N 2.98Å; P55-S59 PolarHBondContact O-N 2.64Å; P55-S59 PolarHBondContact O-OG 2.86Å; P55-S59 VanDerWaalsContact O-OG 3.06Å
56S95.9Very high97.9Very high26 Ų2646.9 Ų46.918%0.18228%0.275CS..G310 helixtrans-55.7-37.1-175.1-51.20000113A54 K58 S59 Y60 L61A54-S56 PolarHBondContact O-N 3.15Å; S56-K58 PolarHBondContact O-N 2.8Å; S56-K58 VanDerWaalsContact O-N 3.13Å; S56-S59 CarbonylContact O-C 3.53Å; S56-S59 PolarHBondContact O-N 3.19Å; S56-Y60 PolarHBondContact O-N 2.92Å; S56-Y60 VanDerWaalsContact O-N 3.16Å; S56-L61 WeakPolarHBondContact O-CB 3.36Å; S56-L61 PolarHBondContact O-N 2.83Å
57V95.5Very high97.9Very high108 Ų10843.3 Ų43.366%0.65526%0.256SS*.G310 helixtrans-59.8-22.3176.2-600000113.9P55 L61P55-V57 HydrophobicContact CB-CG2 4.31Å; P55-V57 PolarHBondContact O-N 3.13Å; P55-V57 VanDerWaalsContact O-N 3.15Å; V57-L61 HydrophobicContact CG1-CD1 4.13Å
58K97.2Very high97.9Very high126 Ų12642.4 Ų42.455%0.54826%0.257SS..G310 helixtrans-104.4-2.6177-62.3-172.8177.5-178.20113.1P53 P55 S56P53-K58 HydrophobicContact CG-CB 3.7Å; P53-K58 HydrophobicContact CG-CD 3.91Å; P53-K58 HydrophobicContact CG-CG 4.45Å; P55-K58 WeakPolarHBondContact O-CA 3.27Å; P55-K58 PolarHBondContact O-N 2.98Å; S56-K58 PolarHBondContact O-N 2.8Å; S56-K58 VanDerWaalsContact O-N 3.13Å
59S97.9Very high97.9Very high0 Ų039.1 Ų39.10%024%0.238CC..THydrogen-bonded Turntrans-134.3-94.1-178.451.20000111.6I51 P53 P55 S56 L61 N62I51-S59 WeakPolarHBondContact CD1-O 3.31Å; P53-S59 VanDerWaalsContact O-CB 3.27Å; P53-S59 WeakPolarHBondContact O-CB 3.34Å; P53-S59 PolarHBondContact O-OG 3.21Å; P55-S59 PolarHBondContact O-N 2.64Å; P55-S59 PolarHBondContact O-OG 2.86Å; P55-S59 VanDerWaalsContact O-OG 3.06Å; S56-S59 CarbonylContact O-C 3.53Å; S56-S59 PolarHBondContact O-N 3.19Å; S59-L61 PolarHBondContact O-N 2.81Å; S59-L61 VanDerWaalsContact O-N 3.1Å; S59-N62 WeakPolarHBondContact O-CA 3.32Å; S59-N62 WeakPolarHBondContact O-CB 3.4Å; S59-N62 PolarHBondContact O-N 2.88Å
60Y98.1Very high97.9Very high0 Ų038.1 Ų38.10%023%0.232CC..THydrogen-bonded Turntrans-64.9-17.1-172-63.5-69.8000115.7R10 S33 D36 I51 S56 F84 L85 Y381R10-Y60 HydrophobicContact CB-CE1 3.94Å; R10-Y60 HydrophobicContact CB-CE2 4.31Å; R10-Y60 HydrophobicContact CG-CE2 4.44Å; S33-Y60 PolarHBondContact N-OH 3.19Å; D36-Y60 VanDerWaalsContact CB-OH 3.31Å; D36-Y60 WeakPolarHBondContact CB-OH 3.21Å; D36-Y60 VanDerWaalsContact OD2-CE2 3.27Å; D36-Y60 WeakPolarHBondContact OD2-CE2 3.48Å; D36-Y60 VanDerWaalsContact OD2-CZ 3.31Å; D36-Y60 PolarHBondContact OD2-OH 2.95Å; I51-Y60 HydrophobicContact CD1-CD1 3.97Å; I51-Y60 HydrophobicContact CD1-CE1 4.31Å; S56-Y60 PolarHBondContact O-N 2.92Å; S56-Y60 VanDerWaalsContact O-N 3.16Å; Y60-F84 VanDerWaalsContact CB-CD1 3.45Å; Y60-F84 HydrophobicContact CD2-CE1 4.12Å; Y60-F84 HydrophobicContact CD2-CZ 4.05Å; Y60-F84 HydrophobicContact CG-CD1 4.36Å; Y60-F84 HydrophobicContact CG-CE1 4.13Å; Y60-F84 HydrophobicContact CG-CE2 4.35Å; Y60-F84 HydrophobicContact CG-CZ 4.12Å; Y60-L85 WeakPolarHBondContact O-CD1 3.32Å; Y60-Y381 AromaticContact CD2-CE1 3.86Å; Y60-Y381 HydrophobicContact CD2-CE1 3.86Å; Y60-Y381 AromaticContact CE2-CE1 3.85Å; Y60-Y381 HydrophobicContact CE2-CE1 3.85Å; Y60-Y381 HydrophobicContact CE2-CE2 4.48Å; Y60-Y381 AromaticContact CE2-CZ 3.74Å
61L97.7Very high97.9Very high67 Ų6740.2 Ų40.235%0.35124%0.235SC..THydrogen-bonded Turntrans-102.43.9172.8-60172.8000112.4S56 V57 S59 I63 F84 L85S56-L61 WeakPolarHBondContact O-CB 3.36Å; S56-L61 PolarHBondContact O-N 2.83Å; V57-L61 HydrophobicContact CG1-CD1 4.13Å; S59-L61 PolarHBondContact O-N 2.81Å; S59-L61 VanDerWaalsContact O-N 3.1Å; L61-I63 PolarHBondContact O-N 2.85Å; L61-F84 HydrophobicContact CD2-CB 3.92Å; L61-F84 HydrophobicContact CD2-CD1 4.13Å; L61-F84 HydrophobicContact CG-CD1 4.26Å; L61-L85 HydrophobicContact CD2-CD2 4.09Å; L61-L85 HydrophobicContact CD2-CG 4.19Å
62N98Very high97.9Very high50 Ų5045.7 Ų45.727%0.26726%0.263SS..  trans-87.890.2179.2-173.3-14.3000109.8S59 P64 A65 I66S59-N62 WeakPolarHBondContact O-CA 3.32Å; S59-N62 WeakPolarHBondContact O-CB 3.4Å; S59-N62 PolarHBondContact O-N 2.88Å; N62-P64 VanDerWaalsContact OD1-CD 3.29Å; N62-P64 WeakPolarHBondContact OD1-CD 3.33Å; N62-A65 HydrophobicContact CB-CB 4Å; N62-A65 PolarHBondContact O-N 2.8Å; N62-A65 PolarHBondContact OD1-N 2.94Å; N62-I66 PolarHBondContact O-N 2.94Å
63I98.4Very high97.9Very high23 Ų2345.5 Ų45.512%0.11826%0.258CS..Hα-helixtrans-53.4-52-179.2-66.1169.8000112L61 A65 I66 I67 L85 F91 Q94L61-I63 PolarHBondContact O-N 2.85Å; I63-A65 VanDerWaalsContact C-N 3.32Å; I63-A65 PolarHBondContact O-N 2.83Å; I63-I66 PolarHBondContact O-N 3.17Å; I63-I67 HydrophobicContact CG2-CD1 3.67Å; I63-I67 HydrophobicContact CG2-CG1 4.32Å; I63-I67 PolarHBondContact O-N 2.85Å; I63-L85 HydrophobicContact CD1-CD2 4.23Å; I63-L85 HydrophobicContact CG1-CD1 3.66Å; I63-L85 HydrophobicContact CG1-CD2 3.94Å; I63-L85 HydrophobicContact CG1-CG 4.45Å; I63-F91 HydrophobicContact CB-CD2 4.2Å; I63-F91 HydrophobicContact CD1-CB 3.93Å; I63-F91 HydrophobicContact CD1-CD2 4.39Å; I63-F91 HydrophobicContact CG1-CB 4.13Å; I63-F91 HydrophobicContact CG1-CD2 3.76Å; I63-F91 HydrophobicContact CG1-CG 4.29Å; I63-F91 HydrophobicContact CG2-CD2 3.79Å; I63-F91 HydrophobicContact CG2-CE2 4.38Å; I63-Q94 HydrophobicContact CG2-CB 4.36Å; I63-Q94 VanDerWaalsContact CG2-OE1 3.27Å
64P98.3Very high97.8Very high82 Ų8245 Ų4553%0.53227%0.265SS..Hα-helixtrans-53.9-44.7177.2-28.833.9000113.7N62 I66 I67 S68N62-P64 VanDerWaalsContact OD1-CD 3.29Å; N62-P64 WeakPolarHBondContact OD1-CD 3.33Å; P64-I66 VanDerWaalsContact C-N 3.32Å; P64-I66 PolarHBondContact O-N 3.35Å; P64-I67 PolarHBondContact O-N 3.44Å; P64-S68 WeakPolarHBondContact O-CB 3.3Å; P64-S68 PolarHBondContact O-N 2.91Å; P64-S68 PolarHBondContact O-OG 3.18Å; P64-S68 VanDerWaalsContact O-OG 3.09Å
65A98.5Very high97.9Very high23 Ų2344.8 Ų44.819%0.1926%0.262CS..Hα-helixtrans-63.7-37.4-178.700000112.6I51 N62 I63 A69I51-A65 HydrophobicContact CB-CB 4.03Å; I51-A65 HydrophobicContact CG2-CB 4.38Å; I51-A65 WeakPolarHBondContact O-CB 3.47Å; N62-A65 HydrophobicContact CB-CB 4Å; N62-A65 PolarHBondContact O-N 2.8Å; N62-A65 PolarHBondContact OD1-N 2.94Å; I63-A65 VanDerWaalsContact C-N 3.32Å; I63-A65 PolarHBondContact O-N 2.83Å; A65-A69 WeakPolarHBondContact O-CB 3.47Å; A65-A69 PolarHBondContact O-N 2.9Å
66I98.6Very high98Very high0 Ų044.5 Ų44.50%026%0.26CS..Hα-helixtrans-71.2-41.9178.1-67.2164.6000111.1A8 I51 N62 I63 P64 A69 A70 I78 L85 F91A8-I66 HydrophobicContact CB-CD1 4.44Å; A8-I66 HydrophobicContact CB-CG2 3.84Å; I51-I66 HydrophobicContact CD1-CD1 4.45Å; I51-I66 HydrophobicContact CD1-CG1 3.99Å; N62-I66 PolarHBondContact O-N 2.94Å; I63-I66 PolarHBondContact O-N 3.17Å; P64-I66 VanDerWaalsContact C-N 3.32Å; P64-I66 PolarHBondContact O-N 3.35Å; I66-A69 WeakPolarHBondContact O-CB 3.46Å; I66-A69 PolarHBondContact O-N 3.4Å; I66-A70 PolarHBondContact O-N 3.18Å; I66-A70 VanDerWaalsContact O-N 3.11Å; I66-I78 HydrophobicContact CG2-CD1 4.24Å; I66-I78 HydrophobicContact CG2-CG2 4.28Å; I66-L85 HydrophobicContact CD1-CD1 3.65Å; I66-F91 HydrophobicContact CB-CE2 4.4Å; I66-F91 HydrophobicContact CG2-CE2 4.01Å; I66-F91 HydrophobicContact CG2-CZ 3.84Å
67I98.6Very high98.1Very high12 Ų1243.3 Ų43.36%0.06225%0.251CS..Hα-helixtrans-64.5-45.9176.6-67.5176.2000110.1I63 P64 A69 A70 E71 Q94 V95 F100I63-I67 HydrophobicContact CG2-CD1 3.67Å; I63-I67 HydrophobicContact CG2-CG1 4.32Å; I63-I67 PolarHBondContact O-N 2.85Å; P64-I67 PolarHBondContact O-N 3.44Å; I67-A69 VanDerWaalsContact C-N 3.27Å; I67-A69 PolarHBondContact O-N 2.92Å; I67-A70 WeakPolarHBondContact O-CA 3.46Å; I67-A70 WeakPolarHBondContact O-CB 3.49Å; I67-A70 PolarHBondContact O-N 3.43Å; I67-E71 HydrophobicContact CG2-CG 4.46Å; I67-E71 WeakPolarHBondContact O-CG 3.36Å; I67-E71 PolarHBondContact O-N 2.56Å; I67-Q94 HydrophobicContact CD1-CB 3.75Å; I67-V95 HydrophobicContact CG1-CG2 4.43Å; I67-F100 HydrophobicContact CG2-CE2 4.05Å
68S98.4Very high98.2Very high54 Ų5438.1 Ų38.138%0.37822%0.22SC..Hα-helixtrans-60.4-36.3174.8-63.50000112.4P64 A70 E71 I72P64-S68 WeakPolarHBondContact O-CB 3.3Å; P64-S68 PolarHBondContact O-N 2.91Å; P64-S68 PolarHBondContact O-OG 3.18Å; P64-S68 VanDerWaalsContact O-OG 3.09Å; S68-A70 VanDerWaalsContact C-N 3.31Å; S68-A70 PolarHBondContact O-N 3.46Å; S68-E71 PolarHBondContact O-N 3.07Å; S68-I72 WeakPolarHBondContact O-CG1 3.29Å; S68-I72 WeakPolarHBondContact O-CG2 3.05Å; S68-I72 PolarHBondContact O-N 2.82Å
69A98.5Very high98.3Very high2 Ų232.1 Ų32.12%0.01719%0.194CC..Hα-helixtrans-61.6-38.9173.400000112.2V31 V49 I51 A65 I66 I67 T73V31-A69 HydrophobicContact CG1-CB 3.79Å; V49-A69 HydrophobicContact CB-CB 3.95Å; V49-A69 HydrophobicContact CG1-CB 3.73Å; V49-A69 HydrophobicContact CG2-CB 4.22Å; I51-A69 HydrophobicContact CG2-CB 4.17Å; A65-A69 WeakPolarHBondContact O-CB 3.47Å; A65-A69 PolarHBondContact O-N 2.9Å; I66-A69 WeakPolarHBondContact O-CB 3.46Å; I66-A69 PolarHBondContact O-N 3.4Å; I67-A69 VanDerWaalsContact C-N 3.27Å; I67-A69 PolarHBondContact O-N 2.92Å; A69-T73 WeakPolarHBondContact O-CB 3.14Å; A69-T73 WeakPolarHBondContact O-CG2 3.17Å; A69-T73 PolarHBondContact O-N 2.94Å; A69-T73 PolarHBondContact O-OG1 3.5Å
70A98.6Very high98.4Very high0 Ų032.4 Ų32.40%020%0.196CC..Hα-helixtrans-67.1-42.9174.800000112.1V6 I66 I67 S68 T73 G74 A75 I78 F100V6-A70 HydrophobicContact CG2-CB 3.65Å; I66-A70 PolarHBondContact O-N 3.18Å; I66-A70 VanDerWaalsContact O-N 3.11Å; I67-A70 WeakPolarHBondContact O-CA 3.46Å; I67-A70 WeakPolarHBondContact O-CB 3.49Å; I67-A70 PolarHBondContact O-N 3.43Å; S68-A70 VanDerWaalsContact C-N 3.31Å; S68-A70 PolarHBondContact O-N 3.46Å; A70-T73 PolarHBondContact O-OG1 2.99Å; A70-G74 PolarHBondContact O-N 2.89Å; A70-A75 HydrophobicContact CB-CB 4.42Å; A70-A75 PolarHBondContact O-N 3.13Å; A70-A75 VanDerWaalsContact O-N 3.1Å; A70-I78 HydrophobicContact CB-CD1 3.81Å; A70-I78 HydrophobicContact CB-CG1 4.19Å; A70-F100 HydrophobicContact CB-CD1 4.14Å; A70-F100 HydrophobicContact CB-CD2 4.43Å; A70-F100 HydrophobicContact CB-CE1 3.79Å; A70-F100 HydrophobicContact CB-CE2 4.11Å; A70-F100 HydrophobicContact CB-CG 4.45Å; A70-F100 HydrophobicContact CB-CZ 3.78Å
71E98.1Very high98.4Very high107 Ų10732.5 Ų32.550%0.520%0.196SC..Hα-helixtrans-60.7-52.8178.4-70.5173.1168.300112.1I67 S68 T73 G74 F100I67-E71 HydrophobicContact CG2-CG 4.46Å; I67-E71 WeakPolarHBondContact O-CG 3.36Å; I67-E71 PolarHBondContact O-N 2.56Å; S68-E71 PolarHBondContact O-N 3.07Å; E71-T73 VanDerWaalsContact C-N 3.28Å; E71-T73 PolarHBondContact O-N 3.05Å; E71-G74 PolarHBondContact O-N 2.81Å; E71-F100 HydrophobicContact CB-CZ 4.3Å; E71-F100 HydrophobicContact CG-CE2 3.81Å; E71-F100 HydrophobicContact CG-CZ 3.51Å
72I98.1Very high98.3Very high127 Ų12730.5 Ų30.565%0.65118%0.184SC*.Hα-helixtrans-69.6-25.3-174.268.2-178.7000113.5V49 S68V49-I72 HydrophobicContact CG1-CD1 4.13Å; V49-I72 HydrophobicContact CG2-CD1 4.26Å; S68-I72 WeakPolarHBondContact O-CG1 3.29Å; S68-I72 WeakPolarHBondContact O-CG2 3.05Å; S68-I72 PolarHBondContact O-N 2.82Å
73T98.2Very high98.1Very high13 Ų1329.7 Ų29.78%0.0819%0.188CC..Hα-helixtrans-92.8-7.6179.957.40000112.8K4 V29 V49 A69 A70 E71 A75K4-T73 WeakPolarHBondContact CD-O 3.39Å; K4-T73 PolarHBondContact NZ-O 2.89Å; V29-T73 HydrophobicContact CG1-CG2 3.8Å; V29-T73 HydrophobicContact CG2-CG2 4.03Å; V49-T73 HydrophobicContact CG2-CG2 3.63Å; A69-T73 WeakPolarHBondContact O-CB 3.14Å; A69-T73 WeakPolarHBondContact O-CG2 3.17Å; A69-T73 PolarHBondContact O-N 2.94Å; A69-T73 PolarHBondContact O-OG1 3.5Å; A70-T73 PolarHBondContact O-OG1 2.99Å; E71-T73 VanDerWaalsContact C-N 3.28Å; E71-T73 PolarHBondContact O-N 3.05Å; T73-A75 VanDerWaalsContact C-N 3.28Å; T73-A75 PolarHBondContact O-N 3.05Å
74G97.3Very high98Very high51 Ų5131.4 Ų31.453%0.52619%0.194SC..THydrogen-bonded Turntrans63.833.1-175.600000112.9A70 E71A70-G74 PolarHBondContact O-N 2.89Å; E71-G74 PolarHBondContact O-N 2.81Å
75A98.5Very high97.9Very high4 Ų428 Ų283%0.03317%0.172CC..  trans-71.8150.117200000110.5K4 V6 A70 T73 F100K4-A75 HydrophobicContact CD-CB 4.32Å; K4-A75 HydrophobicContact CG-CB 4.21Å; V6-A75 HydrophobicContact CG2-CB 3.63Å; A70-A75 HydrophobicContact CB-CB 4.42Å; A70-A75 PolarHBondContact O-N 3.13Å; A70-A75 VanDerWaalsContact O-N 3.1Å; T73-A75 VanDerWaalsContact C-N 3.28Å; T73-A75 PolarHBondContact O-N 3.05Å; A75-F100 VanDerWaalsContact O-CD1 3.3Å; A75-F100 WeakPolarHBondContact O-CD1 3.34Å; A75-F100 WeakPolarHBondContact O-CE1 3.32Å
76V98.5Very high97.9Very high60 Ų6027 Ų2736%0.36416%0.163SC..SBendtrans-101.6-17-179.6-58.90000113.3L2 K4 I101L2-V76 HydrophobicContact CB-CG2 4.25Å; L2-V76 HydrophobicContact CD2-CG2 4.24Å; K4-V76 VanDerWaalsContact O-CG2 3.32Å; K4-V76 WeakPolarHBondContact O-CG2 2.88Å; K4-V76 PolarHBondContact O-N 3.24Å; V76-I101 PolarHBondContact O-N 2.88Å
77A98.8Very high97.6Very high0 Ų030.1 Ų30.10%018%0.178CC..EExtended strand (participates in β ladder)trans-146.8160.5-17700000112.2L2 I5 V6 I101 I103L2-A77 HydrophobicContact CD1-CB 3.96Å; L2-A77 HydrophobicContact CD2-CB 4.13Å; I5-A77 CarbonylContact C-O 3.55Å; I5-A77 VanDerWaalsContact CA-O 3.25Å; I5-A77 WeakPolarHBondContact CA-O 3.46Å; I5-A77 HydrophobicContact CB-CB 4.46Å; I5-A77 WeakPolarHBondContact CB-O 3.39Å; I5-A77 HydrophobicContact CG2-CB 3.88Å; V6-A77 PolarHBondContact N-O 3.08Å; A77-I101 CarbonylContact C-O 3.51Å; A77-I101 WeakPolarHBondContact CA-O 3.13Å; A77-I101 HydrophobicContact CB-CB 3.72Å; A77-I101 HydrophobicContact CB-CG2 4.23Å; A77-I101 WeakPolarHBondContact CB-O 3.5Å; A77-I103 HydrophobicContact CB-CD1 3.8Å; A77-I103 HydrophobicContact CB-CG1 3.98Å
78I98.9Very high97.5Very high0 Ų032.1 Ų32.10%019%0.189CC..EExtended strand (participates in β ladder)trans-126.6123.5178.4-50.9-171.8000109.6V6 A8 I66 A70 F91 V95 I101 I103V6-I78 HydrophobicContact CB-CG1 4.22Å; V6-I78 HydrophobicContact CB-CG2 4.28Å; V6-I78 HydrophobicContact CG1-CG2 4.45Å; V6-I78 CarbonylContact O-C 3.43Å; V6-I78 WeakPolarHBondContact O-CA 3.4Å; A8-I78 HydrophobicContact CB-CG2 3.58Å; I66-I78 HydrophobicContact CG2-CD1 4.24Å; I66-I78 HydrophobicContact CG2-CG2 4.28Å; A70-I78 HydrophobicContact CB-CD1 3.81Å; A70-I78 HydrophobicContact CB-CG1 4.19Å; I78-F91 HydrophobicContact CG2-CZ 4.03Å; I78-V95 HydrophobicContact CB-CG1 4.28Å; I78-V95 HydrophobicContact CD1-CG1 4.08Å; I78-V95 HydrophobicContact CD1-CG2 3.89Å; I78-V95 HydrophobicContact CG1-CG1 4.15Å; I78-I101 PolarHBondContact N-O 3.36Å; I78-I103 PolarHBondContact O-N 3.2Å
79H98.8Very high97.4Very high0 Ų030.1 Ų30.10%018%0.175CC..EExtended strand (participates in β ladder)trans-101113.6174.2-162.8-57.2000109.9I5 V6 A8 I17 G81 I103I5-H79 HydrophobicContact CD1-CB 3.82Å; V6-H79 PolarHBondContact O-N 3.26Å; A8-H79 PolarHBondContact N-O 3.22Å; I17-H79 WeakPolarHBondContact CD1-ND1 3.28Å; I17-H79 HydrophobicContact CG2-CB 4.11Å; H79-G81 PolarHBondContact ND1-N 3.14Å; H79-I103 HydrophobicContact CB-CB 4.25Å; H79-I103 HydrophobicContact CB-CD1 3.7Å; H79-I103 WeakPolarHBondContact CD2-CG2 3.25Å
80P98.6Very high97.4Very high6 Ų634.2 Ų34.24%0.03920%0.197CC..  trans-85.3-12.6-174.237.2-40.1000113.6N9 Y82 F91 F102 I103N9-P80 PolarHBondContact ND2-O 2.9Å; P80-Y82 PolarHBondContact O-N 2.71Å; P80-F91 HydrophobicContact CB-CE1 4.3Å; P80-F102 HydrophobicContact CB-CE2 4.12Å; P80-F102 HydrophobicContact CB-CZ 4.44Å; P80-F102 HydrophobicContact CG-CE2 3.72Å; P80-F102 HydrophobicContact CG-CZ 3.71Å; P80-I103 WeakPolarHBondContact CD-O 3.5Å
81G98.2Very high97.4Very high1 Ų134.2 Ų34.21%0.0120%0.197CC..  trans65.9-131.6-17600000111H79 S86H79-G81 PolarHBondContact ND1-N 3.14Å; G81-S86 WeakPolarHBondContact O-CB 3.41Å
82Y97Very high97.4Very high25 Ų2529.1 Ų29.110%0.09817%0.174CC..SBendtrans-128.5157.2174.159.6-119.8000112.4N9 E12 I13 P80 S86 I293 V295 M384N9-Y82 PolarHBondContact ND2-N 2.85Å; N9-Y82 PolarHBondContact ND2-O 2.7Å; E12-Y82 PolarHBondContact OE1-OH 3.02Å; I13-Y82 HydrophobicContact CB-CD1 4.04Å; I13-Y82 HydrophobicContact CB-CE1 3.4Å; I13-Y82 HydrophobicContact CB-CE2 4.26Å; I13-Y82 VanDerWaalsContact CB-CZ 3.5Å; I13-Y82 HydrophobicContact CD1-CD1 4.02Å; I13-Y82 HydrophobicContact CD1-CE1 3.84Å; I13-Y82 HydrophobicContact CG1-CD1 3.72Å; I13-Y82 HydrophobicContact CG1-CE1 3.56Å; I13-Y82 HydrophobicContact CG1-CG 4.43Å; I13-Y82 HydrophobicContact CG2-CD1 4.38Å; I13-Y82 HydrophobicContact CG2-CD2 4.35Å; I13-Y82 HydrophobicContact CG2-CE1 3.89Å; I13-Y82 HydrophobicContact CG2-CE2 3.82Å; P80-Y82 PolarHBondContact O-N 2.71Å; Y82-S86 VanDerWaalsContact C-OG 3.28Å; Y82-S86 WeakPolarHBondContact CA-OG 3.44Å; Y82-I293 VanDerWaalsContact CB-O 3.3Å; Y82-I293 WeakPolarHBondContact CB-O 3.49Å; Y82-I293 HydrophobicContact CD1-CG2 4.23Å; Y82-V295 HydrophobicContact CD1-CG2 4.14Å; Y82-V295 HydrophobicContact CD2-CG2 3.99Å; Y82-V295 HydrophobicContact CE1-CB 4.27Å; Y82-V295 HydrophobicContact CE1-CG2 3.92Å; Y82-V295 HydrophobicContact CE2-CG2 3.82Å; Y82-V295 HydrophobicContact CG-CG2 4.2Å; Y82-M384 HydrophobicContact CE2-CE 4.19Å; Y82-M384 WeakPolarHBondContact OH-CE 3.39Å
83G93.9Very high97.4Very high34 Ų3425.4 Ų25.435%0.35115%0.153SC..SBendtrans68.1-172.9-170.800000112.8L85 S86G83-L85 PolarHBondContact O-N 2.71Å; G83-L85 VanDerWaalsContact O-N 3.09Å; G83-S86 PolarHBondContact N-OG 3.13Å; G83-S86 VanDerWaalsContact O-CB 3.3Å; G83-S86 WeakPolarHBondContact O-CB 3.23Å; G83-S86 PolarHBondContact O-N 3.43Å; G83-S86 PolarHBondContact O-OG 3.38Å
84F95.3Very high97.4Very high58 Ų5828.7 Ų28.725%0.25417%0.168SC..THydrogen-bonded Turntrans47.6-113-173.5-55.3-69.2000113.5N9 R10 Y60 L61 Y381N9-F84 WeakPolarHBondContact OD1-CE2 3.25Å; R10-F84 HydrophobicContact CG-CE2 3.9Å; R10-F84 HydrophobicContact CG-CZ 4.2Å; Y60-F84 VanDerWaalsContact CB-CD1 3.45Å; Y60-F84 HydrophobicContact CD2-CE1 4.12Å; Y60-F84 HydrophobicContact CD2-CZ 4.05Å; Y60-F84 HydrophobicContact CG-CD1 4.36Å; Y60-F84 HydrophobicContact CG-CE1 4.13Å; Y60-F84 HydrophobicContact CG-CE2 4.35Å; Y60-F84 HydrophobicContact CG-CZ 4.12Å; L61-F84 HydrophobicContact CD2-CB 3.92Å; L61-F84 HydrophobicContact CD2-CD1 4.13Å; L61-F84 HydrophobicContact CG-CD1 4.26Å; F84-Y381 HydrophobicContact CZ-CD1 4.46Å
85L97.2Very high97.5Very high10 Ų1026.3 Ų26.35%0.05214%0.143CC..THydrogen-bonded Turntrans-97.95.1-175.8-63171.8000113.8Y60 L61 I63 I66 G83 E87 N88 F91Y60-L85 WeakPolarHBondContact O-CD1 3.32Å; L61-L85 HydrophobicContact CD2-CD2 4.09Å; L61-L85 HydrophobicContact CD2-CG 4.19Å; I63-L85 HydrophobicContact CD1-CD2 4.23Å; I63-L85 HydrophobicContact CG1-CD1 3.66Å; I63-L85 HydrophobicContact CG1-CD2 3.94Å; I63-L85 HydrophobicContact CG1-CG 4.45Å; I66-L85 HydrophobicContact CD1-CD1 3.65Å; G83-L85 PolarHBondContact O-N 2.71Å; G83-L85 VanDerWaalsContact O-N 3.09Å; L85-E87 PolarHBondContact O-N 3.32Å; L85-N88 HydrophobicContact CB-CB 4.28Å; L85-N88 HydrophobicContact CD2-CB 4.05Å; L85-N88 WeakPolarHBondContact O-CB 3.4Å; L85-N88 PolarHBondContact O-N 3.28Å; L85-F91 HydrophobicContact CB-CB 4.17Å; L85-F91 HydrophobicContact CB-CD1 3.52Å; L85-F91 HydrophobicContact CB-CE1 3.99Å; L85-F91 HydrophobicContact CB-CG 3.85Å; L85-F91 HydrophobicContact CD1-CD1 4.28Å; L85-F91 HydrophobicContact CD1-CD2 3.96Å; L85-F91 HydrophobicContact CD1-CE1 4.45Å; L85-F91 HydrophobicContact CD1-CE2 4.14Å; L85-F91 HydrophobicContact CD1-CG 4.01Å; L85-F91 HydrophobicContact CD1-CZ 4.38Å; L85-F91 HydrophobicContact CD2-CB 4.43Å; L85-F91 HydrophobicContact CG-CD1 4.5Å; L85-F91 HydrophobicContact CG-CG 4.42Å
86S97Very high97.5Very high2 Ų229.5 Ų29.51%0.01416%0.157CC..THydrogen-bonded Turntrans-61.9-25.3-175.153.80000115.7G81 Y82 G83 R292G81-S86 WeakPolarHBondContact O-CB 3.41Å; Y82-S86 VanDerWaalsContact C-OG 3.28Å; Y82-S86 WeakPolarHBondContact CA-OG 3.44Å; G83-S86 PolarHBondContact N-OG 3.13Å; G83-S86 VanDerWaalsContact O-CB 3.3Å; G83-S86 WeakPolarHBondContact O-CB 3.23Å; G83-S86 PolarHBondContact O-N 3.43Å; G83-S86 PolarHBondContact O-OG 3.38Å; S86-R292 VanDerWaalsContact OG-CD 3.24Å; S86-R292 WeakPolarHBondContact OG-CD 3.42Å
87E93.6Very high97.5Very high67 Ų6736 Ų3631%0.31318%0.175SC..THydrogen-bonded Turntrans-11521175.1-60-174.898.300111.6L85 A89 I110 N290 T291 R292L85-E87 PolarHBondContact O-N 3.32Å; E87-A89 PolarHBondContact O-N 3.03Å; E87-I110 WeakPolarHBondContact O-CG2 3.48Å; E87-N290 VanDerWaalsContact OE1-CA 3.23Å; E87-N290 WeakPolarHBondContact OE1-CA 3.08Å; E87-T291 PolarHBondContact OE1-N 3.42Å; E87-R292 HydrophobicContact CG-CB 4.16Å; E87-R292 HydrophobicContact CG-CG 3.57Å; E87-R292 IonicContact OE1-NE 3.99Å; E87-R292 IonicContact OE2-CZ 3.08Å; E87-R292 IonicContact OE2-NE 2.66Å; E87-R292 PolarHBondContact OE2-NE 2.79Å; E87-R292 IonicContact OE2-NH2 3.31Å; E87-R292 PolarHBondContact OE2-NH2 3.08Å
88N96Very high97.4Very high53 Ų5338.6 Ų38.628%0.28319%0.193SC..  trans-92.7105.2-178.8-170.6-59.7000110.3L85 N90 F91 A92L85-N88 HydrophobicContact CB-CB 4.28Å; L85-N88 HydrophobicContact CD2-CB 4.05Å; L85-N88 WeakPolarHBondContact O-CB 3.4Å; L85-N88 PolarHBondContact O-N 3.28Å; N88-N90 VanDerWaalsContact C-N 3.27Å; N88-N90 PolarHBondContact O-N 3.5Å; N88-N90 WeakPolarHBondContact OD1-CA 3.39Å; N88-N90 WeakPolarHBondContact OD1-CB 3.35Å; N88-N90 PolarHBondContact OD1-N 3.39Å; N88-F91 HydrophobicContact CB-CB 3.89Å; N88-F91 WeakPolarHBondContact O-CB 3.28Å; N88-F91 PolarHBondContact O-N 3.23Å; N88-F91 VanDerWaalsContact O-N 3.12Å; N88-F91 PolarHBondContact OD1-N 2.92Å; N88-A92 PolarHBondContact O-N 3.31Å; N88-A92 VanDerWaalsContact O-N 3.07Å
89A97.1Very high97.3Very high12 Ų1241.7 Ų41.710%0.09923%0.225CC..Hα-helixtrans-57.8-38.3179.700000112.9E87 F91 A92 E93 A107 I110 R111E87-A89 PolarHBondContact O-N 3.03Å; A89-F91 VanDerWaalsContact C-N 3.33Å; A89-F91 PolarHBondContact O-N 3.05Å; A89-A92 PolarHBondContact O-N 2.86Å; A89-E93 WeakPolarHBondContact O-CB 3.4Å; A89-E93 PolarHBondContact O-N 3.17Å; A89-A107 WeakPolarHBondContact CB-O 3.46Å; A89-A107 WeakPolarHBondContact O-CB 3.46Å; A89-I110 HydrophobicContact CB-CB 4.04Å; A89-I110 HydrophobicContact CB-CG2 3.85Å; A89-R111 HydrophobicContact CB-CB 3.96Å
90N97.3Very high97.3Very high89 Ų8942.9 Ų42.948%0.47623%0.23SC..Hα-helixtrans-68.5-34179.6-63.8-18.2000111.7N88 Q94N88-N90 VanDerWaalsContact C-N 3.27Å; N88-N90 PolarHBondContact O-N 3.5Å; N88-N90 WeakPolarHBondContact OD1-CA 3.39Å; N88-N90 WeakPolarHBondContact OD1-CB 3.35Å; N88-N90 PolarHBondContact OD1-N 3.39Å; N90-Q94 WeakPolarHBondContact O-CB 3.37Å; N90-Q94 VanDerWaalsContact O-CG 3.29Å; N90-Q94 WeakPolarHBondContact O-CG 3.48Å; N90-Q94 PolarHBondContact O-N 3.32Å
91F98.5Very high97.3Very high0 Ų045.3 Ų45.30%024%0.242CC..Hα-helixtrans-65.9-51.9173.2176.9-124.4000110.8I63 I66 I78 P80 L85 N88 A89 E93 Q94 V95 F102I63-F91 HydrophobicContact CB-CD2 4.2Å; I63-F91 HydrophobicContact CD1-CB 3.93Å; I63-F91 HydrophobicContact CD1-CD2 4.39Å; I63-F91 HydrophobicContact CG1-CB 4.13Å; I63-F91 HydrophobicContact CG1-CD2 3.76Å; I63-F91 HydrophobicContact CG1-CG 4.29Å; I63-F91 HydrophobicContact CG2-CD2 3.79Å; I63-F91 HydrophobicContact CG2-CE2 4.38Å; I66-F91 HydrophobicContact CB-CE2 4.4Å; I66-F91 HydrophobicContact CG2-CE2 4.01Å; I66-F91 HydrophobicContact CG2-CZ 3.84Å; I78-F91 HydrophobicContact CG2-CZ 4.03Å; P80-F91 HydrophobicContact CB-CE1 4.3Å; L85-F91 HydrophobicContact CB-CB 4.17Å; L85-F91 HydrophobicContact CB-CD1 3.52Å; L85-F91 HydrophobicContact CB-CE1 3.99Å; L85-F91 HydrophobicContact CB-CG 3.85Å; L85-F91 HydrophobicContact CD1-CD1 4.28Å; L85-F91 HydrophobicContact CD1-CD2 3.96Å; L85-F91 HydrophobicContact CD1-CE1 4.45Å; L85-F91 HydrophobicContact CD1-CE2 4.14Å; L85-F91 HydrophobicContact CD1-CG 4.01Å; L85-F91 HydrophobicContact CD1-CZ 4.38Å; L85-F91 HydrophobicContact CD2-CB 4.43Å; L85-F91 HydrophobicContact CG-CD1 4.5Å; L85-F91 HydrophobicContact CG-CG 4.42Å; N88-F91 HydrophobicContact CB-CB 3.89Å; N88-F91 WeakPolarHBondContact O-CB 3.28Å; N88-F91 PolarHBondContact O-N 3.23Å; N88-F91 VanDerWaalsContact O-N 3.12Å; N88-F91 PolarHBondContact OD1-N 2.92Å; A89-F91 VanDerWaalsContact C-N 3.33Å; A89-F91 PolarHBondContact O-N 3.05Å; F91-E93 VanDerWaalsContact C-N 3.26Å; F91-E93 PolarHBondContact O-N 3.26Å; F91-Q94 PolarHBondContact O-N 2.92Å; F91-Q94 VanDerWaalsContact O-N 3.13Å; F91-V95 HydrophobicContact CD1-CG2 4.5Å; F91-V95 HydrophobicContact CD2-CG2 3.82Å; F91-V95 HydrophobicContact CE1-CG2 4.2Å; F91-V95 HydrophobicContact CE2-CG2 3.47Å; F91-V95 VanDerWaalsContact CE2-CG2 3.47Å; F91-V95 HydrophobicContact CG-CG2 4.34Å; F91-V95 HydrophobicContact CZ-CG2 3.7Å; F91-V95 VanDerWaalsContact O-CG2 3.29Å; F91-V95 WeakPolarHBondContact O-CG2 3.49Å; F91-V95 PolarHBondContact O-N 2.81Å; F91-F102 HydrophobicContact CD1-CD2 4.43Å; F91-F102 AromaticContact CD1-CE2 3.84Å; F91-F102 HydrophobicContact CD1-CE2 3.84Å; F91-F102 HydrophobicContact CE1-CD2 4.37Å; F91-F102 AromaticContact CE1-CE2 3.94Å; F91-F102 HydrophobicContact CE1-CE2 3.94Å
92A98.5Very high97.3Very high0 Ų045.2 Ų45.20%024%0.242CC..Hα-helixtrans-55.4-43177.700000111.9N88 A89 V95 E96 F102 A107 I110N88-A92 PolarHBondContact O-N 3.31Å; N88-A92 VanDerWaalsContact O-N 3.07Å; A89-A92 PolarHBondContact O-N 2.86Å; A92-V95 PolarHBondContact O-N 3.45Å; A92-E96 PolarHBondContact O-N 3.1Å; A92-F102 HydrophobicContact CB-CD1 3.77Å; A92-F102 HydrophobicContact CB-CD2 3.98Å; A92-F102 HydrophobicContact CB-CE1 3.84Å; A92-F102 HydrophobicContact CB-CE2 4.04Å; A92-F102 HydrophobicContact CB-CG 3.83Å; A92-F102 HydrophobicContact CB-CZ 3.96Å; A92-A107 HydrophobicContact CB-CB 4.17Å; A92-I110 HydrophobicContact CB-CD1 3.72Å
93E98.6Very high97.4Very high49 Ų4944.1 Ų44.123%0.22924%0.238CC..Hα-helixtrans-64.3-42.7177.4-174.2168.2-169.900112.7A89 F91 R97 A107 R111A89-E93 WeakPolarHBondContact O-CB 3.4Å; A89-E93 PolarHBondContact O-N 3.17Å; F91-E93 VanDerWaalsContact C-N 3.26Å; F91-E93 PolarHBondContact O-N 3.26Å; E93-R97 WeakPolarHBondContact O-CB 3.49Å; E93-R97 VanDerWaalsContact O-CG 3.3Å; E93-R97 WeakPolarHBondContact O-CG 3.34Å; E93-R97 PolarHBondContact O-N 3.38Å; E93-R97 IonicContact OE1-CZ 3.58Å; E93-R97 IonicContact OE1-NE 2.66Å; E93-R97 IonicContact OE1-NH1 3.55Å; E93-R97 IonicContact OE1-NH2 3.4Å; E93-R97 PolarHBondContact OE1-NH2 3.28Å; E93-A107 HydrophobicContact CB-CB 3.71Å; E93-R111 IonicContact OE2-CZ 2.61Å; E93-R111 IonicContact OE2-NH2 2.78Å; E93-R111 PolarHBondContact OE2-NH2 3.39Å
94Q98.5Very high97.6Very high82 Ų8242.7 Ų42.738%0.38322%0.223SC..Hα-helixtrans-68-39.7177.2-75.1179.552.900112I63 I67 N90 F91 R97 S98I63-Q94 HydrophobicContact CG2-CB 4.36Å; I63-Q94 VanDerWaalsContact CG2-OE1 3.27Å; I67-Q94 HydrophobicContact CD1-CB 3.75Å; N90-Q94 WeakPolarHBondContact O-CB 3.37Å; N90-Q94 VanDerWaalsContact O-CG 3.29Å; N90-Q94 WeakPolarHBondContact O-CG 3.48Å; N90-Q94 PolarHBondContact O-N 3.32Å; F91-Q94 PolarHBondContact O-N 2.92Å; F91-Q94 VanDerWaalsContact O-N 3.13Å; Q94-R97 PolarHBondContact O-N 3.37Å; Q94-S98 WeakPolarHBondContact O-CB 3.35Å; Q94-S98 PolarHBondContact O-N 3.07Å; Q94-S98 PolarHBondContact O-OG 3.26Å
95V98.7Very high97.8Very high0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-58.2-50.4174.8171.40000110.5I67 I78 F91 A92 S98 G99 F100 F102I67-V95 HydrophobicContact CG1-CG2 4.43Å; I78-V95 HydrophobicContact CB-CG1 4.28Å; I78-V95 HydrophobicContact CD1-CG1 4.08Å; I78-V95 HydrophobicContact CD1-CG2 3.89Å; I78-V95 HydrophobicContact CG1-CG1 4.15Å; F91-V95 HydrophobicContact CD1-CG2 4.5Å; F91-V95 HydrophobicContact CD2-CG2 3.82Å; F91-V95 HydrophobicContact CE1-CG2 4.2Å; F91-V95 HydrophobicContact CE2-CG2 3.47Å; F91-V95 VanDerWaalsContact CE2-CG2 3.47Å; F91-V95 HydrophobicContact CG-CG2 4.34Å; F91-V95 HydrophobicContact CZ-CG2 3.7Å; F91-V95 VanDerWaalsContact O-CG2 3.29Å; F91-V95 WeakPolarHBondContact O-CG2 3.49Å; F91-V95 PolarHBondContact O-N 2.81Å; A92-V95 PolarHBondContact O-N 3.45Å; V95-S98 PolarHBondContact O-N 2.7Å; V95-G99 PolarHBondContact O-N 2.99Å; V95-F100 HydrophobicContact CG1-CB 3.7Å; V95-F100 PolarHBondContact O-N 2.71Å; V95-F100 VanDerWaalsContact O-N 3.07Å; V95-F102 HydrophobicContact CB-CB 4.37Å; V95-F102 HydrophobicContact CG1-CB 3.93Å; V95-F102 HydrophobicContact CG1-CD2 4.47Å
96E98.3Very high97.8Very high71 Ų7143.3 Ų43.333%0.33223%0.226SC..Hα-helixtrans-67.2-38.5179.8-69.5-173.5151.700112.4A92 S98 G99 F100 F102 R270A92-E96 PolarHBondContact O-N 3.1Å; E96-S98 VanDerWaalsContact C-N 3.33Å; E96-S98 PolarHBondContact O-N 3.5Å; E96-G99 PolarHBondContact O-N 2.81Å; E96-G99 VanDerWaalsContact O-N 3.11Å; E96-F100 WeakPolarHBondContact CA-O 3.49Å; E96-F102 HydrophobicContact CG-CB 4.13Å; E96-R270 IonicContact OE1-CZ 2.62Å; E96-R270 IonicContact OE1-NH1 2.7Å; E96-R270 PolarHBondContact OE1-NH1 3.09Å; E96-R270 IonicContact OE1-NH2 2.87Å; E96-R270 PolarHBondContact OE1-NH2 2.85Å
97R98Very high97.8Very high198 Ų19843.6 Ų43.675%0.74723%0.228SC*.Hα-helixtrans-68.1-29.7175.8-77.4-177175.61688.1113.8E93 Q94 G99E93-R97 WeakPolarHBondContact O-CB 3.49Å; E93-R97 VanDerWaalsContact O-CG 3.3Å; E93-R97 WeakPolarHBondContact O-CG 3.34Å; E93-R97 PolarHBondContact O-N 3.38Å; E93-R97 IonicContact OE1-CZ 3.58Å; E93-R97 IonicContact OE1-NE 2.66Å; E93-R97 IonicContact OE1-NH1 3.55Å; E93-R97 IonicContact OE1-NH2 3.4Å; E93-R97 PolarHBondContact OE1-NH2 3.28Å; Q94-R97 PolarHBondContact O-N 3.37Å; R97-G99 PolarHBondContact O-N 3.26Å
98S97.8Very high98Very high53 Ų5346.1 Ų46.137%0.37124%0.24SC..THydrogen-bonded Turntrans-77.12.4172.9-71.10000113.1Q94 V95 E96Q94-S98 WeakPolarHBondContact O-CB 3.35Å; Q94-S98 PolarHBondContact O-N 3.07Å; Q94-S98 PolarHBondContact O-OG 3.26Å; V95-S98 PolarHBondContact O-N 2.7Å; E96-S98 VanDerWaalsContact C-N 3.33Å; E96-S98 PolarHBondContact O-N 3.5Å
99G96.8Very high98Very high66 Ų6643.7 Ų43.768%0.6823%0.227SC*.THydrogen-bonded Turntrans86.210176.500000114.7V95 E96 R97V95-G99 PolarHBondContact O-N 2.99Å; E96-G99 PolarHBondContact O-N 2.81Å; E96-G99 VanDerWaalsContact O-N 3.11Å; R97-G99 PolarHBondContact O-N 3.26Å
100F98.4Very high98Very high24 Ų2443.3 Ų43.311%0.10522%0.223CC..PPolyproline II helixtrans-96.3155.3175.5-57.6-70.7000111.5I67 A70 E71 A75 V95 E96I67-F100 HydrophobicContact CG2-CE2 4.05Å; A70-F100 HydrophobicContact CB-CD1 4.14Å; A70-F100 HydrophobicContact CB-CD2 4.43Å; A70-F100 HydrophobicContact CB-CE1 3.79Å; A70-F100 HydrophobicContact CB-CE2 4.11Å; A70-F100 HydrophobicContact CB-CG 4.45Å; A70-F100 HydrophobicContact CB-CZ 3.78Å; E71-F100 HydrophobicContact CB-CZ 4.3Å; E71-F100 HydrophobicContact CG-CE2 3.81Å; E71-F100 HydrophobicContact CG-CZ 3.51Å; A75-F100 VanDerWaalsContact O-CD1 3.3Å; A75-F100 WeakPolarHBondContact O-CD1 3.34Å; A75-F100 WeakPolarHBondContact O-CE1 3.32Å; V95-F100 HydrophobicContact CG1-CB 3.7Å; V95-F100 PolarHBondContact O-N 2.71Å; V95-F100 VanDerWaalsContact O-N 3.07Å; E96-F100 WeakPolarHBondContact CA-O 3.49Å
101I98.7Very high97.9Very high57 Ų5744.5 Ų44.529%0.29222%0.221SC..EExtended strand (participates in β ladder)trans-84.2123171.3-63.7164.8000109.4L2 V76 A77 I78 A316L2-I101 HydrophobicContact CD2-CD1 3.66Å; V76-I101 PolarHBondContact O-N 2.88Å; A77-I101 CarbonylContact C-O 3.51Å; A77-I101 WeakPolarHBondContact CA-O 3.13Å; A77-I101 HydrophobicContact CB-CB 3.72Å; A77-I101 HydrophobicContact CB-CG2 4.23Å; A77-I101 WeakPolarHBondContact CB-O 3.5Å; I78-I101 PolarHBondContact N-O 3.36Å; I101-A316 HydrophobicContact CG2-CB 3.95Å; I101-A316 WeakPolarHBondContact CG2-O 3.2Å
102F98.7Very high97.8Very high0 Ų047.5 Ų47.50%024%0.236CC..EExtended strand (participates in β ladder)trans-81.2117.3166.8-178.5-101.8000110P80 F91 A92 V95 E96 G104 P105 I110 R270P80-F102 HydrophobicContact CB-CE2 4.12Å; P80-F102 HydrophobicContact CB-CZ 4.44Å; P80-F102 HydrophobicContact CG-CE2 3.72Å; P80-F102 HydrophobicContact CG-CZ 3.71Å; F91-F102 HydrophobicContact CD1-CD2 4.43Å; F91-F102 AromaticContact CD1-CE2 3.84Å; F91-F102 HydrophobicContact CD1-CE2 3.84Å; F91-F102 HydrophobicContact CE1-CD2 4.37Å; F91-F102 AromaticContact CE1-CE2 3.94Å; F91-F102 HydrophobicContact CE1-CE2 3.94Å; A92-F102 HydrophobicContact CB-CD1 3.77Å; A92-F102 HydrophobicContact CB-CD2 3.98Å; A92-F102 HydrophobicContact CB-CE1 3.84Å; A92-F102 HydrophobicContact CB-CE2 4.04Å; A92-F102 HydrophobicContact CB-CG 3.83Å; A92-F102 HydrophobicContact CB-CZ 3.96Å; V95-F102 HydrophobicContact CB-CB 4.37Å; V95-F102 HydrophobicContact CG1-CB 3.93Å; V95-F102 HydrophobicContact CG1-CD2 4.47Å; E96-F102 HydrophobicContact CG-CB 4.13Å; F102-G104 VanDerWaalsContact C-N 3.31Å; F102-G104 PolarHBondContact O-N 2.87Å; F102-P105 VanDerWaalsContact CD1-O 3.3Å; F102-P105 WeakPolarHBondContact CD1-O 3.46Å; F102-P105 WeakPolarHBondContact CE1-O 3.44Å; F102-I110 HydrophobicContact CE1-CD1 3.83Å; F102-I110 HydrophobicContact CZ-CD1 4.22Å; F102-R270 PolarHBondContact O-NH2 3.37Å
103I98.8Very high97.6Very high1 Ų147.6 Ų47.61%0.00524%0.237CC..SBendtrans-80.683.6179.7-58.2160.3000109L2 I5 A77 I78 H79 P80 Q312 L313 A316L2-I103 HydrophobicContact CD1-CD1 3.91Å; L2-I103 HydrophobicContact CD1-CG1 4.2Å; I5-I103 HydrophobicContact CB-CD1 4.36Å; I5-I103 HydrophobicContact CD1-CD1 3.97Å; I5-I103 HydrophobicContact CG2-CD1 4.09Å; A77-I103 HydrophobicContact CB-CD1 3.8Å; A77-I103 HydrophobicContact CB-CG1 3.98Å; I78-I103 PolarHBondContact O-N 3.2Å; H79-I103 HydrophobicContact CB-CB 4.25Å; H79-I103 HydrophobicContact CB-CD1 3.7Å; H79-I103 WeakPolarHBondContact CD2-CG2 3.25Å; P80-I103 WeakPolarHBondContact CD-O 3.5Å; I103-Q312 HydrophobicContact CG2-CB 4.01Å; I103-L313 HydrophobicContact CD1-CD2 3.81Å; I103-A316 HydrophobicContact CB-CB 4.05Å; I103-A316 HydrophobicContact CG1-CB 3.68Å; I103-A316 HydrophobicContact CG2-CB 3.89Å
104G98.3Very high97.2Very high5 Ų547.5 Ų47.55%0.05225%0.249CC..SBendtrans164.3-165.6-176.500000111.8F102 R270F102-G104 VanDerWaalsContact C-N 3.31Å; F102-G104 PolarHBondContact O-N 2.87Å; G104-R270 CarbonylContact C-O 3.53Å; G104-R270 VanDerWaalsContact C-O 3.26Å; G104-R270 PolarHBondContact O-NE 2.72Å; G104-R270 PolarHBondContact O-NH2 3.1Å
105P98.1Very high96.7Very high1 Ų145.4 Ų45.41%0.00624%0.241CC..SBendtrans-68.3162.3-179-17.632.2000112.3F102 I110 Y269 R270 T291F102-P105 VanDerWaalsContact CD1-O 3.3Å; F102-P105 WeakPolarHBondContact CD1-O 3.46Å; F102-P105 WeakPolarHBondContact CE1-O 3.44Å; P105-I110 HydrophobicContact CB-CG1 3.99Å; P105-I110 HydrophobicContact CG-CG1 4.47Å; P105-Y269 HydrophobicContact CB-CD2 4.47Å; P105-Y269 HydrophobicContact CB-CE2 3.96Å; P105-Y269 HydrophobicContact CG-CE1 3.89Å; P105-Y269 HydrophobicContact CG-CE2 3.75Å; P105-Y269 WeakPolarHBondContact CG-OH 3.29Å; P105-R270 WeakPolarHBondContact CA-O 3.08Å; P105-R270 WeakPolarHBondContact CG-O 3.3Å; P105-T291 VanDerWaalsContact CD-O 3.3Å; P105-T291 WeakPolarHBondContact CD-O 3.16Å; P105-T291 WeakPolarHBondContact CG-O 2.98Å
106K97.7Very high96.2Very high80 Ų8046.1 Ų46.135%0.34824%0.244SC..  trans-67.7151.1173.5-64.7-178.6-178.8176.20110.6E108 T109 I110K106-E108 HydrophobicContact CB-CG 3.99Å; K106-E108 VanDerWaalsContact CD-OE1 3.32Å; K106-E108 WeakPolarHBondContact CD-OE1 3.29Å; K106-E108 IonicContact NZ-OE1 3.02Å; K106-E108 PolarHBondContact O-N 2.69Å; K106-T109 PolarHBondContact O-N 3.23Å; K106-I110 WeakPolarHBondContact O-CG1 3.27Å; K106-I110 PolarHBondContact O-N 2.84Å
107A98Very high95.7Very high8 Ų843.9 Ų43.97%0.06624%0.235CC..Hα-helixtrans-55.3-37.9179.100000113.5A89 A92 E93 T109 I110 R111A89-A107 WeakPolarHBondContact CB-O 3.46Å; A89-A107 WeakPolarHBondContact O-CB 3.46Å; A92-A107 HydrophobicContact CB-CB 4.17Å; E93-A107 HydrophobicContact CB-CB 3.71Å; A107-T109 VanDerWaalsContact C-N 3.35Å; A107-T109 PolarHBondContact O-N 3.46Å; A107-I110 PolarHBondContact O-N 3.31Å; A107-R111 WeakPolarHBondContact O-CB 3.47Å; A107-R111 PolarHBondContact O-N 3.39Å
108E97Very high95.3Very high120 Ų12036.9 Ų36.956%0.56122%0.216SC*.Hα-helixtrans-60.7-42.4175.965-169.2171.200112.3K106 R111 L112K106-E108 HydrophobicContact CB-CG 3.99Å; K106-E108 VanDerWaalsContact CD-OE1 3.32Å; K106-E108 WeakPolarHBondContact CD-OE1 3.29Å; K106-E108 IonicContact NZ-OE1 3.02Å; K106-E108 PolarHBondContact O-N 2.69Å; E108-R111 PolarHBondContact O-N 3.34Å; E108-L112 WeakPolarHBondContact O-CB 3.48Å; E108-L112 PolarHBondContact O-N 2.71Å
109T96.9Very high95.1Very high2 Ų234.3 Ų34.31%0.01220%0.198CC..Hα-helixtrans-72-40.4179.4-43.70000111.4K106 A107 R111 L112 M113 I267 Y269K106-T109 PolarHBondContact O-N 3.23Å; A107-T109 VanDerWaalsContact C-N 3.35Å; A107-T109 PolarHBondContact O-N 3.46Å; T109-R111 VanDerWaalsContact C-N 3.29Å; T109-R111 PolarHBondContact O-N 2.82Å; T109-L112 PolarHBondContact O-N 3.14Å; T109-M113 HydrophobicContact CG2-CG 4.46Å; T109-M113 WeakPolarHBondContact O-CB 3.48Å; T109-M113 WeakPolarHBondContact O-CG 3.32Å; T109-M113 PolarHBondContact O-N 3.08Å; T109-I267 HydrophobicContact CG2-CD1 3.96Å; T109-I267 HydrophobicContact CG2-CG1 4.09Å; T109-Y269 HydrophobicContact CG2-CD2 3.44Å; T109-Y269 VanDerWaalsContact CG2-CD2 3.44Å; T109-Y269 HydrophobicContact CG2-CE2 3.96Å; T109-Y269 HydrophobicContact CG2-CG 4.43Å
110I97.3Very high94.9Very high3 Ų332 Ų322%0.01517%0.17CC..Hα-helixtrans-59-44.6173.4-62.3172.4000109.9E87 A89 A92 F102 P105 K106 A107 G114E87-I110 WeakPolarHBondContact O-CG2 3.48Å; A89-I110 HydrophobicContact CB-CB 4.04Å; A89-I110 HydrophobicContact CB-CG2 3.85Å; A92-I110 HydrophobicContact CB-CD1 3.72Å; F102-I110 HydrophobicContact CE1-CD1 3.83Å; F102-I110 HydrophobicContact CZ-CD1 4.22Å; P105-I110 HydrophobicContact CB-CG1 3.99Å; P105-I110 HydrophobicContact CG-CG1 4.47Å; K106-I110 WeakPolarHBondContact O-CG1 3.27Å; K106-I110 PolarHBondContact O-N 2.84Å; A107-I110 PolarHBondContact O-N 3.31Å; I110-G114 WeakPolarHBondContact O-CA 3.35Å; I110-G114 PolarHBondContact O-N 3.43Å
111R95.1Very high94.6Very high114 Ų11433.7 Ų33.743%0.4319%0.188SC..Hα-helixtrans-66.4-43.9179-169.3177.4-64.6108.9-4.8112.2A89 E93 A107 E108 T109 D115A89-R111 HydrophobicContact CB-CB 3.96Å; E93-R111 IonicContact OE2-CZ 2.61Å; E93-R111 IonicContact OE2-NH2 2.78Å; E93-R111 PolarHBondContact OE2-NH2 3.39Å; A107-R111 WeakPolarHBondContact O-CB 3.47Å; A107-R111 PolarHBondContact O-N 3.39Å; E108-R111 PolarHBondContact O-N 3.34Å; T109-R111 VanDerWaalsContact C-N 3.29Å; T109-R111 PolarHBondContact O-N 2.82Å; R111-D115 PolarHBondContact O-N 2.91Å
112L95.3Very high94.3Very high63 Ų6331.9 Ų31.933%0.3318%0.182SC..Hα-helixtrans-59.4-47177.6175.364.6000111.7E108 T109 A119 A122 I267E108-L112 WeakPolarHBondContact O-CB 3.48Å; E108-L112 PolarHBondContact O-N 2.71Å; T109-L112 PolarHBondContact O-N 3.14Å; L112-A119 PolarHBondContact O-N 2.75Å; L112-A122 HydrophobicContact CD1-CB 4.46Å; L112-A122 HydrophobicContact CD2-CB 4.45Å; L112-I267 HydrophobicContact CD2-CB 4.43Å; L112-I267 HydrophobicContact CD2-CG2 4.22Å
113M94.9Very high94.2Very high3 Ų331.9 Ų31.92%0.01518%0.182CC..Hα-helixtrans-85.1-20.3-175.1-63.3-49.8-61.700113.5T109 A119 M123 I267 F286 M289 T291T109-M113 HydrophobicContact CG2-CG 4.46Å; T109-M113 WeakPolarHBondContact O-CB 3.48Å; T109-M113 WeakPolarHBondContact O-CG 3.32Å; T109-M113 PolarHBondContact O-N 3.08Å; M113-A119 HydrophobicContact CE-CB 3.89Å; M113-A119 HydrophobicContact SD-CB 4.32Å; M113-M123 HydrophobicContact CE-CE 3.73Å; M113-M123 HydrophobicContact CE-CG 4.23Å; M113-M123 HydrophobicContact CE-SD 4.22Å; M113-M123 HydrophobicContact SD-CE 3.94Å; M113-I267 HydrophobicContact CG-CD1 4.16Å; M113-I267 HydrophobicContact SD-CD1 4.08Å; M113-F286 HydrophobicContact CE-CE2 4.49Å; M113-F286 HydrophobicContact CE-CZ 3.86Å; M113-M289 HydrophobicContact CB-CB 4.34Å; M113-M289 HydrophobicContact CE-CB 3.43Å; M113-M289 VanDerWaalsContact CE-CB 3.43Å; M113-M289 HydrophobicContact CE-CG 4.31Å; M113-M289 HydrophobicContact CE-SD 3.96Å; M113-M289 HydrophobicContact CG-SD 4Å; M113-T291 HydrophobicContact CB-CG2 3.68Å; M113-T291 HydrophobicContact CG-CG2 4.33Å
114G90.1Very high93.8Very high46 Ų4635.8 Ų35.847%0.47420%0.199SC..Hα-helixtrans-77.5-20.5175.500000114.2I110I110-G114 WeakPolarHBondContact O-CA 3.35Å; I110-G114 PolarHBondContact O-N 3.43Å
115D88Confident93.6Very high39 Ų3944.9 Ų44.921%0.20924%0.237CC..SBendtrans-91113.7170.6179.283.2000109.7R111 V117 S118 A119R111-D115 PolarHBondContact O-N 2.91Å; D115-V117 VanDerWaalsContact C-N 3.28Å; D115-V117 PolarHBondContact O-N 3.4Å; D115-V117 PolarHBondContact OD2-N 3.39Å; D115-S118 PolarHBondContact O-N 3Å; D115-S118 VanDerWaalsContact OD2-CB 3.22Å; D115-S118 WeakPolarHBondContact OD2-CB 3.36Å; D115-S118 PolarHBondContact OD2-N 3.09Å; D115-S118 PolarHBondContact OD2-OG 3.41Å; D115-A119 VanDerWaalsContact O-CB 3.26Å; D115-A119 WeakPolarHBondContact O-CB 3.4Å; D115-A119 PolarHBondContact O-N 3.48Å
116K87.5Confident93.3Very high15 Ų1545.4 Ų45.47%0.06524%0.241CC..Hα-helixtrans-60.5-37.5-171.1-62-70.5-175.31750112.6I120 S161 Y199 E288K116-I120 WeakPolarHBondContact O-CB 3.33Å; K116-I120 WeakPolarHBondContact O-CD1 3.47Å; K116-I120 WeakPolarHBondContact O-CG1 3.22Å; K116-I120 PolarHBondContact O-N 3.07Å; K116-S161 WeakPolarHBondContact CB-O 3.24Å; K116-S161 WeakPolarHBondContact CG-O 3.27Å; K116-S161 PolarHBondContact N-O 3.09Å; K116-Y199 HydrophobicContact CB-CE1 3.76Å; K116-Y199 HydrophobicContact CG-CE1 4.3Å; K116-E288 HydrophobicContact CD-CB 4.31Å; K116-E288 IonicContact NZ-OE1 2.83Å; K116-E288 PolarHBondContact NZ-OE1 3.49Å; K116-E288 IonicContact NZ-OE2 2.67Å; K116-E288 PolarHBondContact NZ-OE2 3.11Å
117V88.2Confident93.1Very high24 Ų2443.6 Ų43.615%0.14525%0.245CC..Hα-helixtrans-67.9-46.9-178.4177.80000110.1D115 I120 A121 M197 Y199D115-V117 VanDerWaalsContact C-N 3.28Å; D115-V117 PolarHBondContact O-N 3.4Å; D115-V117 PolarHBondContact OD2-N 3.39Å; V117-I120 PolarHBondContact O-N 3.37Å; V117-A121 WeakPolarHBondContact O-CB 3.48Å; V117-A121 PolarHBondContact O-N 2.91Å; V117-M197 HydrophobicContact CG2-SD 4.23Å; V117-Y199 HydrophobicContact CG2-CD1 4.23Å; V117-Y199 HydrophobicContact CG2-CG 4.4Å
118S90.8Very high93Very high50 Ų5043.4 Ų43.435%0.3524%0.243SC..Hα-helixtrans-65.5-40.6177.5-550000111.8D115 A121 A122D115-S118 PolarHBondContact O-N 3Å; D115-S118 VanDerWaalsContact OD2-CB 3.22Å; D115-S118 WeakPolarHBondContact OD2-CB 3.36Å; D115-S118 PolarHBondContact OD2-N 3.09Å; D115-S118 PolarHBondContact OD2-OG 3.41Å; S118-A121 PolarHBondContact O-N 2.97Å; S118-A122 WeakPolarHBondContact O-CB 3.47Å; S118-A122 PolarHBondContact O-N 2.79Å
119A93.2Very high92.9Very high0 Ų039 Ų390%023%0.225CC..Hα-helixtrans-60.6-50174.800000111.6L112 M113 D115 A121 A122 M123 F286L112-A119 PolarHBondContact O-N 2.75Å; M113-A119 HydrophobicContact CE-CB 3.89Å; M113-A119 HydrophobicContact SD-CB 4.32Å; D115-A119 VanDerWaalsContact O-CB 3.26Å; D115-A119 WeakPolarHBondContact O-CB 3.4Å; D115-A119 PolarHBondContact O-N 3.48Å; A119-A121 VanDerWaalsContact C-N 3.31Å; A119-A121 PolarHBondContact O-N 3Å; A119-A122 PolarHBondContact O-N 3.47Å; A119-M123 WeakPolarHBondContact O-CB 3.27Å; A119-M123 VanDerWaalsContact O-CG 3.26Å; A119-M123 WeakPolarHBondContact O-CG 3.41Å; A119-M123 PolarHBondContact O-N 3.34Å; A119-F286 HydrophobicContact CB-CE1 4.19Å; A119-F286 HydrophobicContact CB-CZ 4.35Å
120I91.7Very high92.8Very high16 Ų1639.7 Ų39.78%0.08223%0.23CC..Hα-helixtrans-59.1-44177.3-70.6163.5000110.6K116 V117 M123 K124 C130 Y199 E201 F286K116-I120 WeakPolarHBondContact O-CB 3.33Å; K116-I120 WeakPolarHBondContact O-CD1 3.47Å; K116-I120 WeakPolarHBondContact O-CG1 3.22Å; K116-I120 PolarHBondContact O-N 3.07Å; V117-I120 PolarHBondContact O-N 3.37Å; I120-M123 PolarHBondContact O-N 2.71Å; I120-K124 HydrophobicContact CG2-CD 4.22Å; I120-K124 HydrophobicContact CG2-CG 4.43Å; I120-K124 WeakPolarHBondContact O-CB 3.4Å; I120-K124 WeakPolarHBondContact O-CG 3.32Å; I120-K124 PolarHBondContact O-N 2.75Å; I120-C130 HydrophobicContact CG2-CB 4.32Å; I120-Y199 HydrophobicContact CD1-CD2 4.24Å; I120-Y199 HydrophobicContact CD1-CE2 3.74Å; I120-E201 WeakPolarHBondContact CD1-OE1 3.33Å; I120-F286 HydrophobicContact CG1-CD1 4.37Å; I120-F286 HydrophobicContact CG1-CE1 4.41Å
121A91.7Very high92.5Very high60 Ų6039.6 Ų39.650%0.49623%0.23SC..Hα-helixtrans-62.4-44.4178.100000112V117 S118 A119 K125V117-A121 WeakPolarHBondContact O-CB 3.48Å; V117-A121 PolarHBondContact O-N 2.91Å; S118-A121 PolarHBondContact O-N 2.97Å; A119-A121 VanDerWaalsContact C-N 3.31Å; A119-A121 PolarHBondContact O-N 3Å; A121-K125 WeakPolarHBondContact O-CB 3.41Å; A121-K125 PolarHBondContact O-N 3.34Å
122A93.4Very high92.4Very high19 Ų1937.2 Ų37.216%0.15723%0.229CC..Hα-helixtrans-62.3-43.1175.900000111.7L112 S118 A119 K125 A126L112-A122 HydrophobicContact CD1-CB 4.46Å; L112-A122 HydrophobicContact CD2-CB 4.45Å; S118-A122 WeakPolarHBondContact O-CB 3.47Å; S118-A122 PolarHBondContact O-N 2.79Å; A119-A122 PolarHBondContact O-N 3.47Å; A122-K125 WeakPolarHBondContact O-CB 3.49Å; A122-K125 PolarHBondContact O-N 2.77Å; A122-A126 PolarHBondContact O-N 3.49Å
123M95.4Very high92.3Very high0 Ų034.6 Ų34.60%022%0.217CC..Hα-helixtrans-67.1-41.9179.7-72.5-46.998.300112.8M113 A119 I120 K125 A126 G127 V128 A263 F275 F286M113-M123 HydrophobicContact CE-CE 3.73Å; M113-M123 HydrophobicContact CE-CG 4.23Å; M113-M123 HydrophobicContact CE-SD 4.22Å; M113-M123 HydrophobicContact SD-CE 3.94Å; A119-M123 WeakPolarHBondContact O-CB 3.27Å; A119-M123 VanDerWaalsContact O-CG 3.26Å; A119-M123 WeakPolarHBondContact O-CG 3.41Å; A119-M123 PolarHBondContact O-N 3.34Å; I120-M123 PolarHBondContact O-N 2.71Å; M123-K125 VanDerWaalsContact C-N 3.32Å; M123-K125 PolarHBondContact O-N 3.02Å; M123-A126 CarbonylContact O-C 3.54Å; M123-A126 PolarHBondContact O-N 3.2Å; M123-A126 VanDerWaalsContact O-N 3.15Å; M123-G127 PolarHBondContact O-N 2.56Å; M123-G127 VanDerWaalsContact O-N 3.12Å; M123-V128 HydrophobicContact CB-CB 4Å; M123-V128 HydrophobicContact CB-CG1 4.37Å; M123-V128 WeakPolarHBondContact O-CB 3.5Å; M123-V128 PolarHBondContact O-N 3.04Å; M123-V128 HydrophobicContact SD-CB 4.28Å; M123-V128 HydrophobicContact SD-CG2 3.96Å; M123-A263 HydrophobicContact CE-CB 4.15Å; M123-A263 HydrophobicContact SD-CB 4.08Å; M123-F275 HydrophobicContact CE-CE1 4.25Å; M123-F275 HydrophobicContact SD-CD1 4.05Å; M123-F275 HydrophobicContact SD-CE1 3.44Å; M123-F275 WeakPolarHBondContact SD-CE1 3.31Å; M123-F275 HydrophobicContact SD-CZ 4.45Å; M123-F286 HydrophobicContact CB-CD1 4.02Å; M123-F286 HydrophobicContact CB-CE1 4.18Å; M123-F286 HydrophobicContact CB-CG 4.31Å; M123-F286 HydrophobicContact CG-CD1 3.75Å; M123-F286 HydrophobicContact CG-CD2 4.02Å; M123-F286 HydrophobicContact CG-CE1 3.52Å; M123-F286 HydrophobicContact CG-CE2 3.78Å; M123-F286 HydrophobicContact CG-CG 3.98Å; M123-F286 HydrophobicContact CG-CZ 3.52Å; M123-F286 HydrophobicContact SD-CE2 4.38Å
124K92.3Very high92.1Very high84 Ų8435.1 Ų35.137%0.36522%0.221SC..Hα-helixtrans-59.7-43.3172.4-75-173.7177.6-162.70111.8I120 A126 G127 C130 D135I120-K124 HydrophobicContact CG2-CD 4.22Å; I120-K124 HydrophobicContact CG2-CG 4.43Å; I120-K124 WeakPolarHBondContact O-CB 3.4Å; I120-K124 WeakPolarHBondContact O-CG 3.32Å; I120-K124 PolarHBondContact O-N 2.75Å; K124-A126 VanDerWaalsContact C-N 3.29Å; K124-A126 PolarHBondContact O-N 3.26Å; K124-G127 PolarHBondContact O-N 2.9Å; K124-C130 HydrophobicContact CG-CB 4.04Å; K124-D135 IonicContact NZ-OD1 2.62Å; K124-D135 PolarHBondContact NZ-OD1 2.67Å
125K92.9Very high92Very high195 Ų19538.1 Ų38.185%0.84823%0.226SC*.Hα-helixtrans-62.5-36.3176.3-174.2-177.5177-173.60112.2A121 A122 M123 G127A121-K125 WeakPolarHBondContact O-CB 3.41Å; A121-K125 PolarHBondContact O-N 3.34Å; A122-K125 WeakPolarHBondContact O-CB 3.49Å; A122-K125 PolarHBondContact O-N 2.77Å; M123-K125 VanDerWaalsContact C-N 3.32Å; M123-K125 PolarHBondContact O-N 3.02Å; K125-G127 PolarHBondContact O-N 2.82Å
126A92.3Very high92.1Very high12 Ų1237 Ų3710%0.09923%0.225CC..THydrogen-bonded Turntrans-77.5-2.6175.800000113.7A122 M123 K124 V128 A263A122-A126 PolarHBondContact O-N 3.49Å; M123-A126 CarbonylContact O-C 3.54Å; M123-A126 PolarHBondContact O-N 3.2Å; M123-A126 VanDerWaalsContact O-N 3.15Å; K124-A126 VanDerWaalsContact C-N 3.29Å; K124-A126 PolarHBondContact O-N 3.26Å; A126-V128 VanDerWaalsContact C-N 3.31Å; A126-V128 HydrophobicContact CB-CG2 4.37Å; A126-A263 HydrophobicContact CB-CB 3.76Å
127G93.2Very high92.3Very high42 Ų4239.8 Ų39.843%0.43324%0.244SC..THydrogen-bonded Turntrans75.917.5-178.600000114.2M123 K124 K125 R259M123-G127 PolarHBondContact O-N 2.56Å; M123-G127 VanDerWaalsContact O-N 3.12Å; K124-G127 PolarHBondContact O-N 2.9Å; K125-G127 PolarHBondContact O-N 2.82Å; G127-R259 WeakPolarHBondContact O-CD 3.46Å; G127-R259 PolarHBondContact O-NE 2.89Å
128V96.2Very high92.6Very high4 Ų439 Ų392%0.02424%0.239CC..  trans-76.9128.9172.1177.10000108.5M123 A126 C130 R259 A263 F277 F286M123-V128 HydrophobicContact CB-CB 4Å; M123-V128 HydrophobicContact CB-CG1 4.37Å; M123-V128 WeakPolarHBondContact O-CB 3.5Å; M123-V128 PolarHBondContact O-N 3.04Å; M123-V128 HydrophobicContact SD-CB 4.28Å; M123-V128 HydrophobicContact SD-CG2 3.96Å; A126-V128 VanDerWaalsContact C-N 3.31Å; A126-V128 HydrophobicContact CB-CG2 4.37Å; V128-C130 PolarHBondContact O-N 2.78Å; V128-C130 PolarHBondContact O-SG 3.18Å; V128-R259 HydrophobicContact CG2-CB 4.23Å; V128-A263 HydrophobicContact CG2-CB 3.99Å; V128-F277 HydrophobicContact CG1-CE1 3.64Å; V128-F277 HydrophobicContact CG1-CZ 3.87Å; V128-F286 HydrophobicContact CG1-CB 4.06Å; V128-F286 HydrophobicContact CG1-CG 4.48Å
129P94.9Very high92.7Very high27 Ų2738.4 Ų38.418%0.17524%0.24CC..  trans-59.6126.6175.8-27.237.3000112Y255 I256 F284 F286P129-Y255 HydrophobicContact CG-CE1 4.42Å; P129-I256 HydrophobicContact CG-CD1 4.34Å; P129-F284 WeakPolarHBondContact CB-O 3.16Å; P129-F286 VanDerWaalsContact O-CB 3.22Å; P129-F286 WeakPolarHBondContact O-CB 3.39Å; P129-F286 PolarHBondContact O-N 3.35Å
130C94.4Very high92.6Very high18 Ų1845.5 Ų45.512%0.12228%0.279CS..BIsolated β-bridgetrans-120.1156.2178.6-62.70000110.5I120 K124 V128I120-C130 HydrophobicContact CG2-CB 4.32Å; K124-C130 HydrophobicContact CG-CB 4.04Å; V128-C130 PolarHBondContact O-N 2.78Å; V128-C130 PolarHBondContact O-SG 3.18Å
131V92.2Very high92.7Very high1 Ų147.9 Ų47.91%0.00629%0.291CS..  trans-58.1134.7173.6-1700000109.5G133 E201 K202 Y285V131-G133 PolarHBondContact O-N 2.82Å; V131-E201 HydrophobicContact CB-CB 4.32Å; V131-E201 HydrophobicContact CB-CG 4.22Å; V131-E201 HydrophobicContact CG1-CB 3.82Å; V131-E201 HydrophobicContact CG1-CG 4.27Å; V131-K202 HydrophobicContact CG1-CB 3.9Å; V131-K202 WeakPolarHBondContact CG1-O 3.19Å; V131-Y285 HydrophobicContact CG2-CG 4.45Å
132P91.4Very high92.9Very high64 Ų6447.4 Ų47.442%0.41628%0.28SS..  trans-56.3130.5170.9-25.234.5000110.6E201 K202P132-E201 CarbonylContact O-C 3.56Å; P132-E201 WeakPolarHBondContact O-CA 3.33Å; P132-K202 HydrophobicContact CB-CB 4.37Å; P132-K202 PolarHBondContact O-N 3.15Å
133G93.5Very high92.9Very high8 Ų852.7 Ų52.78%0.08231%0.305CS..BIsolated β-bridgetrans-156-167-169.700000115.4V131 D135 R151 M200V131-G133 PolarHBondContact O-N 2.82Å; G133-D135 PolarHBondContact O-N 2.74Å; G133-R151 PolarHBondContact O-NH2 2.71Å; G133-M200 CarbonylContact C-O 3.39Å; G133-M200 WeakPolarHBondContact CA-O 3.3Å
134S91.9Very high92.9Very high14 Ų1459.3 Ų59.310%0.09833%0.334CS..  trans-73-15179.751.60000113.8G136 M200S134-G136 WeakPolarHBondContact CB-O 3.39Å; S134-G136 PolarHBondContact O-N 3.14Å; S134-G136 PolarHBondContact OG-O 3.19Å; S134-M200 PolarHBondContact N-O 3.46Å; S134-M200 PolarHBondContact OG-N 3.4Å; S134-M200 PolarHBondContact OG-O 3.1Å
135D86.9Confident93.1Very high108 Ų10855.5 Ų55.558%0.57832%0.317SS*.SBendtrans5929.3-178.6-55.5-33.1000113.5K124 G133K124-D135 IonicContact NZ-OD1 2.62Å; K124-D135 PolarHBondContact NZ-OD1 2.67Å; G133-D135 PolarHBondContact O-N 2.74Å
136G89.3Confident93.3Very high17 Ų1750.3 Ų50.318%0.17529%0.292CS..SBendtrans159.6175.6-17500000111.6S134S134-G136 WeakPolarHBondContact CB-O 3.39Å; S134-G136 PolarHBondContact O-N 3.14Å; S134-G136 PolarHBondContact OG-O 3.19Å
137P92.9Very high93.4Very high73 Ų7352.5 Ų52.547%0.47431%0.311SS..  trans-67.4147.4176.630.8-34.6000110.9M197 V198P137-M197 HydrophobicContact CB-CG 3.64Å; P137-M197 HydrophobicContact CB-SD 3.95Å; P137-M197 HydrophobicContact CG-SD 4.49Å; P137-V198 WeakPolarHBondContact CA-O 3.09Å
138L93.9Very high93.5Very high7 Ų751.9 Ų51.94%0.03730%0.297CS..  trans-70.6145169.6-58.6178.4000109.3I148 I158 I182 R186 V198 M200L138-I148 HydrophobicContact CD2-CD1 4.44Å; L138-I158 HydrophobicContact CD1-CD1 4.04Å; L138-I158 HydrophobicContact CD1-CG2 4.35Å; L138-I182 HydrophobicContact CD1-CD1 3.73Å; L138-I182 HydrophobicContact CD1-CG1 3.77Å; L138-I182 HydrophobicContact CD1-CG2 4.49Å; L138-R186 PolarHBondContact O-NH2 2.81Å; L138-V198 HydrophobicContact CB-CG2 4.35Å; L138-V198 HydrophobicContact CD1-CG2 4.27Å; L138-V198 PolarHBondContact N-O 2.83Å; L138-M200 HydrophobicContact CD1-CB 4.15Å; L138-M200 HydrophobicContact CD1-CE 3.99Å; L138-M200 HydrophobicContact CD2-CB 4.03Å; L138-M200 HydrophobicContact CD2-CE 4Å; L138-M200 HydrophobicContact CG-CB 4.47Å
139G92.5Very high93.5Very high37 Ų3751.7 Ų51.738%0.38130%0.296SS..  trans-98.6-171.417400000112.1D141 N145G139-D141 VanDerWaalsContact C-N 3.34Å; G139-N145 PolarHBondContact O-ND2 3.4Å
140D91.8Very high93.5Very high150 Ų15057.2 Ų57.280%0.80232%0.317SS*.SBendtrans-83-13.5173.4-60.3-39.1000112.9M142D140-M142 PolarHBondContact O-N 2.9Å; D140-M142 VanDerWaalsContact O-N 3.09Å
141D94.5Very high93.6Very high65 Ų6563.5 Ų63.535%0.34834%0.338SS..  trans-72.798.3176-176.1-22.1000110.6G139 D143 K144 N145G139-D141 VanDerWaalsContact C-N 3.34Å; D141-D143 VanDerWaalsContact C-N 3.31Å; D141-D143 PolarHBondContact O-N 3.37Å; D141-D143 PolarHBondContact OD1-N 3.27Å; D141-D143 VanDerWaalsContact OD1-N 3.11Å; D141-K144 HydrophobicContact CB-CB 4.24Å; D141-K144 HydrophobicContact CB-CD 4.12Å; D141-K144 HydrophobicContact CB-CG 4.34Å; D141-K144 PolarHBondContact O-N 3.46Å; D141-K144 PolarHBondContact OD1-N 2.94Å; D141-K144 VanDerWaalsContact OD1-N 3.08Å; D141-K144 WeakPolarHBondContact OD2-CD 3.11Å; D141-K144 WeakPolarHBondContact OD2-CE 3.39Å; D141-K144 VanDerWaalsContact OD2-CG 3.32Å; D141-K144 WeakPolarHBondContact OD2-CG 3.48Å; D141-K144 IonicContact OD2-NZ 3.34Å; D141-K144 PolarHBondContact OD2-NZ 3.21Å; D141-N145 VanDerWaalsContact O-CG 3.3Å; D141-N145 PolarHBondContact O-N 2.88Å; D141-N145 VanDerWaalsContact O-N 3.1Å; D141-N145 PolarHBondContact O-ND2 2.98Å
142M94.6Very high93.7Very high51 Ų5164.5 Ų64.525%0.25134%0.344SS..Hα-helixtrans-68.5-26.6-177.8-77.3-55.6-45.300113.8D140 N145 R146 L178 A179 I182D140-M142 PolarHBondContact O-N 2.9Å; D140-M142 VanDerWaalsContact O-N 3.09Å; M142-N145 HydrophobicContact CE-CB 4.19Å; M142-N145 PolarHBondContact O-N 2.75Å; M142-N145 HydrophobicContact SD-CB 4.41Å; M142-R146 WeakPolarHBondContact O-CB 3.07Å; M142-R146 WeakPolarHBondContact O-CG 3.43Å; M142-R146 PolarHBondContact O-N 3.24Å; M142-L178 HydrophobicContact CE-CD2 4.27Å; M142-L178 HydrophobicContact CE-CG 4.27Å; M142-A179 HydrophobicContact CE-CB 3.65Å; M142-A179 HydrophobicContact SD-CB 4.09Å; M142-I182 HydrophobicContact CE-CD1 4.09Å; M142-I182 HydrophobicContact SD-CD1 4.15Å
143D94.5Very high93.8Very high129 Ų12962.6 Ų62.669%0.6934%0.335SS*.Hα-helixtrans-69.2-41.8177.3-71.6-33000110.5D141 R146 A147D141-D143 VanDerWaalsContact C-N 3.31Å; D141-D143 PolarHBondContact O-N 3.37Å; D141-D143 PolarHBondContact OD1-N 3.27Å; D141-D143 VanDerWaalsContact OD1-N 3.11Å; D143-R146 PolarHBondContact O-N 2.98Å; D143-A147 PolarHBondContact O-N 3.21Å
144K95.5Very high93.8Very high139 Ų13965 Ų6560%0.60434%0.342SS*.Hα-helixtrans-62.1-45.4171-73.7179.5-171.4160.40112.1D141 R146 A147 I148D141-K144 HydrophobicContact CB-CB 4.24Å; D141-K144 HydrophobicContact CB-CD 4.12Å; D141-K144 HydrophobicContact CB-CG 4.34Å; D141-K144 PolarHBondContact O-N 3.46Å; D141-K144 PolarHBondContact OD1-N 2.94Å; D141-K144 VanDerWaalsContact OD1-N 3.08Å; D141-K144 WeakPolarHBondContact OD2-CD 3.11Å; D141-K144 WeakPolarHBondContact OD2-CE 3.39Å; D141-K144 VanDerWaalsContact OD2-CG 3.32Å; D141-K144 WeakPolarHBondContact OD2-CG 3.48Å; D141-K144 IonicContact OD2-NZ 3.34Å; D141-K144 PolarHBondContact OD2-NZ 3.21Å; K144-R146 VanDerWaalsContact C-N 3.31Å; K144-R146 PolarHBondContact O-N 2.85Å; K144-A147 PolarHBondContact O-N 3Å; K144-I148 WeakPolarHBondContact O-CG1 3.44Å; K144-I148 PolarHBondContact O-N 3.42Å
145N96Very high94Very high4 Ų465.1 Ų65.12%0.02134%0.343CS..Hα-helixtrans-61.4-39.3179.1-67.3-22.9000111.7G139 D141 M142 I148 A149 I182G139-N145 PolarHBondContact O-ND2 3.4Å; D141-N145 VanDerWaalsContact O-CG 3.3Å; D141-N145 PolarHBondContact O-N 2.88Å; D141-N145 VanDerWaalsContact O-N 3.1Å; D141-N145 PolarHBondContact O-ND2 2.98Å; M142-N145 HydrophobicContact CE-CB 4.19Å; M142-N145 PolarHBondContact O-N 2.75Å; M142-N145 HydrophobicContact SD-CB 4.41Å; N145-I148 PolarHBondContact O-N 2.89Å; N145-A149 PolarHBondContact O-N 3.18Å; N145-I182 HydrophobicContact CB-CD1 4.01Å
146R96Very high94.5Very high86 Ų8660 Ų6033%0.32532%0.315SS..Hα-helixtrans-65.3-41.5174.3-72.7168.7179.4-113.2-11.6112.3M142 D143 K144 I148 A149 K150 D175 L178M142-R146 WeakPolarHBondContact O-CB 3.07Å; M142-R146 WeakPolarHBondContact O-CG 3.43Å; M142-R146 PolarHBondContact O-N 3.24Å; D143-R146 PolarHBondContact O-N 2.98Å; K144-R146 VanDerWaalsContact C-N 3.31Å; K144-R146 PolarHBondContact O-N 2.85Å; R146-I148 VanDerWaalsContact C-N 3.33Å; R146-I148 PolarHBondContact O-N 3.47Å; R146-A149 PolarHBondContact O-N 2.98Å; R146-K150 WeakPolarHBondContact O-CG 3.35Å; R146-K150 PolarHBondContact O-N 3.08Å; R146-D175 WeakPolarHBondContact CG-OD1 3.39Å; R146-D175 IonicContact CZ-OD2 3.95Å; R146-D175 IonicContact NE-OD2 3.38Å; R146-D175 IonicContact NH1-OD2 3.33Å; R146-D175 PolarHBondContact NH1-OD2 3.46Å; R146-D175 IonicContact NH2-OD2 3.98Å; R146-L178 HydrophobicContact CB-CD2 4.4Å; R146-L178 HydrophobicContact CG-CD2 3.85Å
147A95.5Very high94.7Very high58 Ų5859.8 Ų59.848%0.47931%0.31SS..Hα-helixtrans-62.4-41.1176.200000111.9D143 K144 K150 R151D143-A147 PolarHBondContact O-N 3.21Å; K144-A147 PolarHBondContact O-N 3Å; A147-K150 PolarHBondContact O-N 3.43Å; A147-R151 WeakPolarHBondContact O-CB 3.28Å; A147-R151 PolarHBondContact O-N 3.43Å
148I95.5Very high94.8Very high29 Ų2956.3 Ų56.315%0.14929%0.287CS..Hα-helixtrans-61.1-49173.4-68.6166.4000110.6L138 K144 N145 R146 K150 R151 I152 M200L138-I148 HydrophobicContact CD2-CD1 4.44Å; K144-I148 WeakPolarHBondContact O-CG1 3.44Å; K144-I148 PolarHBondContact O-N 3.42Å; N145-I148 PolarHBondContact O-N 2.89Å; R146-I148 VanDerWaalsContact C-N 3.33Å; R146-I148 PolarHBondContact O-N 3.47Å; I148-K150 VanDerWaalsContact C-N 3.31Å; I148-K150 PolarHBondContact O-N 3.14Å; I148-R151 WeakPolarHBondContact O-CB 3.4Å; I148-R151 PolarHBondContact O-N 3.01Å; I148-R151 VanDerWaalsContact O-N 3.11Å; I148-I152 HydrophobicContact CG2-CD1 3.65Å; I148-I152 HydrophobicContact CG2-CG1 4.4Å; I148-I152 WeakPolarHBondContact O-CG1 3.41Å; I148-I152 PolarHBondContact O-N 2.97Å; I148-M200 HydrophobicContact CG2-SD 4.17Å
149A96Very high94.8Very high0 Ų057.2 Ų57.20%029%0.291CS..Hα-helixtrans-59.4-41.2179.500000112.4N145 R146 I152 G153 Y154 L178 M200N145-A149 PolarHBondContact O-N 3.18Å; R146-A149 PolarHBondContact O-N 2.98Å; A149-I152 PolarHBondContact O-N 3.22Å; A149-G153 PolarHBondContact O-N 2.97Å; A149-Y154 HydrophobicContact CB-CE1 4.11Å; A149-Y154 HydrophobicContact CB-CE2 4.23Å; A149-Y154 VanDerWaalsContact CB-OH 3.3Å; A149-Y154 WeakPolarHBondContact CB-OH 3.32Å; A149-L178 HydrophobicContact CB-CD1 4.38Å; A149-L178 HydrophobicContact CB-CD2 3.86Å; A149-M200 VanDerWaalsContact CA-SD 3.5Å; A149-M200 HydrophobicContact CB-CE 3.99Å; A149-M200 HydrophobicContact CB-SD 3.55Å; A149-M200 VanDerWaalsContact CB-SD 3.55Å
150K94.7Very high94.7Very high143 Ų14355.9 Ų55.962%0.62228%0.276SS*.Hα-helixtrans-65-38.8175-72.8176.8-178.21790112.6R146 A147 I148 G153R146-K150 WeakPolarHBondContact O-CG 3.35Å; R146-K150 PolarHBondContact O-N 3.08Å; A147-K150 PolarHBondContact O-N 3.43Å; I148-K150 VanDerWaalsContact C-N 3.31Å; I148-K150 PolarHBondContact O-N 3.14Å; K150-G153 PolarHBondContact O-N 3.35Å
151R95.9Very high94.6Very high151 Ų15148.7 Ų48.757%0.5724%0.238SC*.Hα-helixtrans-64.6-42176-178.1-174.770-144.55.2112.1G133 A147 I148G133-R151 PolarHBondContact O-NH2 2.71Å; A147-R151 WeakPolarHBondContact O-CB 3.28Å; A147-R151 PolarHBondContact O-N 3.43Å; I148-R151 WeakPolarHBondContact O-CB 3.4Å; I148-R151 PolarHBondContact O-N 3.01Å; I148-R151 VanDerWaalsContact O-N 3.11Å
152I94.4Very high93.9Very high22 Ų2246.3 Ų46.311%0.11323%0.229CC..Hα-helixtrans-70.5-38.3176.7-63.5164.6000110.5I148 A149 V156 M200 K202I148-I152 HydrophobicContact CG2-CD1 3.65Å; I148-I152 HydrophobicContact CG2-CG1 4.4Å; I148-I152 WeakPolarHBondContact O-CG1 3.41Å; I148-I152 PolarHBondContact O-N 2.97Å; A149-I152 PolarHBondContact O-N 3.22Å; I152-V156 HydrophobicContact CB-CG1 4.15Å; I152-V156 HydrophobicContact CG2-CG1 3.84Å; I152-M200 HydrophobicContact CD1-CB 4.29Å; I152-M200 HydrophobicContact CD1-CG 3.87Å; I152-M200 HydrophobicContact CD1-SD 3.82Å; I152-K202 HydrophobicContact CG2-CB 3.72Å; I152-K202 HydrophobicContact CG2-CD 4.01Å; I152-K202 HydrophobicContact CG2-CG 4.48Å
153G94.3Very high92.8Very high23 Ų2345.9 Ų45.924%0.23724%0.238CC..  trans84130.8-175.400000112.1A149 K150 K202A149-G153 PolarHBondContact O-N 2.97Å; K150-G153 PolarHBondContact O-N 3.35Å; G153-K202 WeakPolarHBondContact O-CD 3.36Å; G153-K202 PolarHBondContact O-NZ 2.74Å
154Y93.6Very high91.6Very high58 Ų5841.4 Ų41.423%0.22722%0.222CC..SBendtrans-67.4155.3177.1-66.9-80.4000112.5A149 V156 V172 R173 D175 K202A149-Y154 HydrophobicContact CB-CE1 4.11Å; A149-Y154 HydrophobicContact CB-CE2 4.23Å; A149-Y154 VanDerWaalsContact CB-OH 3.3Å; A149-Y154 WeakPolarHBondContact CB-OH 3.32Å; Y154-V156 HydrophobicContact CD1-CG1 4.27Å; Y154-V156 HydrophobicContact CD1-CG2 3.94Å; Y154-V156 HydrophobicContact CE1-CG2 3.85Å; Y154-V172 HydrophobicContact CD1-CG1 4.45Å; Y154-V172 WeakPolarHBondContact CD1-O 3.31Å; Y154-V172 HydrophobicContact CE1-CG1 3.93Å; Y154-R173 WeakPolarHBondContact CB-O 3.49Å; Y154-D175 HydrophobicContact CE2-CB 4.39Å; Y154-D175 WeakPolarHBondContact OH-CA 3.38Å; Y154-D175 PolarHBondContact OH-OD1 3.14Å; Y154-K202 PolarHBondContact O-NZ 2.8Å
155P96.1Very high90.1Very high17 Ų1737.1 Ų37.111%0.1122%0.217CC..SBendcis-67.5147-929.6-34.1000112V171 V172 R173 Y203P155-V171 HydrophobicContact CB-CG1 4.27Å; P155-V172 WeakPolarHBondContact CA-O 3.39Å; P155-R173 HydrophobicContact CB-CG 4.37Å; P155-Y203 HydrophobicContact CB-CD1 4.23Å; P155-Y203 HydrophobicContact CG-CD1 3.87Å; P155-Y203 HydrophobicContact CG-CG 4.45Å; P155-Y203 WeakPolarHBondContact O-CB 3.41Å; P155-Y203 PolarHBondContact O-N 2.73Å; P155-Y203 VanDerWaalsContact O-N 3.09Å
156V96.4Very high88.8Confident0 Ų038.3 Ų38.30%023%0.23CC..EExtended strand (participates in β ladder)trans-115.7164.1172.4-58.80000109.2I152 Y154 V172 L178 M200 E201I152-V156 HydrophobicContact CB-CG1 4.15Å; I152-V156 HydrophobicContact CG2-CG1 3.84Å; Y154-V156 HydrophobicContact CD1-CG1 4.27Å; Y154-V156 HydrophobicContact CD1-CG2 3.94Å; Y154-V156 HydrophobicContact CE1-CG2 3.85Å; V156-V172 HydrophobicContact CG2-CB 3.82Å; V156-V172 HydrophobicContact CG2-CG1 4.43Å; V156-V172 HydrophobicContact CG2-CG2 4.48Å; V156-V172 PolarHBondContact N-O 3.34Å; V156-V172 PolarHBondContact O-N 2.96Å; V156-L178 HydrophobicContact CG2-CD1 4.44Å; V156-M200 HydrophobicContact CB-CG 3.92Å; V156-M200 HydrophobicContact CB-SD 4.07Å; V156-M200 HydrophobicContact CG1-CG 4.43Å; V156-M200 HydrophobicContact CG1-SD 4.14Å; V156-M200 HydrophobicContact CG2-CG 4.05Å; V156-M200 HydrophobicContact CG2-SD 3.87Å; V156-E201 CarbonylContact C-O 3.55Å; V156-E201 VanDerWaalsContact CA-O 3.26Å; V156-E201 WeakPolarHBondContact CA-O 3.19Å; V156-E201 WeakPolarHBondContact CB-O 3.4Å
157I94.7Very high87.8Confident13 Ų1341.5 Ų41.57%0.06724%0.242CC..EExtended strand (participates in β ladder)trans-124.9131.9173.3-170.2168.7000109.3K159 M169 R170 V171 M200 E201 Y203I157-K159 HydrophobicContact CD1-CG 4.38Å; I157-K159 HydrophobicContact CG1-CG 4.1Å; I157-K159 HydrophobicContact CG2-CD 4.35Å; I157-K159 HydrophobicContact CG2-CG 4.34Å; I157-M169 HydrophobicContact CD1-CB 4.16Å; I157-M169 HydrophobicContact CD1-CG 4.35Å; I157-M169 HydrophobicContact CD1-SD 4.18Å; I157-M169 HydrophobicContact CG1-CB 4.37Å; I157-R170 WeakPolarHBondContact CA-O 3.13Å; I157-R170 WeakPolarHBondContact CG1-O 3.5Å; I157-V171 HydrophobicContact CD1-CG2 4.28Å; I157-V171 HydrophobicContact CG1-CG2 4.45Å; I157-M200 WeakPolarHBondContact O-CA 3.04Å; I157-E201 HydrophobicContact CG2-CB 3.96Å; I157-E201 PolarHBondContact N-O 2.79Å; I157-E201 PolarHBondContact O-N 2.69Å; I157-Y203 HydrophobicContact CB-CD2 4.11Å; I157-Y203 HydrophobicContact CD1-CD2 4.09Å; I157-Y203 HydrophobicContact CD1-CE2 4.41Å
158I95Very high87.3Confident0 Ų038.8 Ų38.80%022%0.22CC..EExtended strand (participates in β ladder)trans-93132.3170.5-47.4-57.2000107.4L138 M169 R170 V172 L178 I182 T185 V198 Y199 M200L138-I158 HydrophobicContact CD1-CD1 4.04Å; L138-I158 HydrophobicContact CD1-CG2 4.35Å; I158-M169 CarbonylContact O-C 3.52Å; I158-M169 WeakPolarHBondContact O-CA 3.47Å; I158-R170 PolarHBondContact N-O 3.05Å; I158-R170 PolarHBondContact O-N 3.03Å; I158-V172 HydrophobicContact CD1-CG2 4.49Å; I158-V172 HydrophobicContact CG1-CG2 3.85Å; I158-L178 HydrophobicContact CD1-CD1 4.04Å; I158-I182 HydrophobicContact CD1-CG1 3.98Å; I158-I182 HydrophobicContact CG1-CG1 4.15Å; I158-I182 HydrophobicContact CG2-CG1 4.37Å; I158-T185 HydrophobicContact CG2-CG2 4.03Å; I158-V198 HydrophobicContact CG2-CB 3.99Å; I158-V198 HydrophobicContact CG2-CG2 4.15Å; I158-Y199 WeakPolarHBondContact CA-O 3.36Å; I158-M200 HydrophobicContact CD1-CB 4.02Å; I158-M200 HydrophobicContact CD1-CE 3.8Å; I158-M200 HydrophobicContact CD1-CG 3.75Å; I158-M200 HydrophobicContact CD1-SD 4.38Å
159K92.8Very high86.9Confident26 Ų2640.1 Ų40.111%0.11323%0.226CC..EExtended strand (participates in β ladder)trans-132144-176.6-67.3178.9177.6172.50111.2I157 G168 M169 V198 Y199 E201I157-K159 HydrophobicContact CD1-CG 4.38Å; I157-K159 HydrophobicContact CG1-CG 4.1Å; I157-K159 HydrophobicContact CG2-CD 4.35Å; I157-K159 HydrophobicContact CG2-CG 4.34Å; K159-G168 CarbonylContact C-O 3.05Å; K159-G168 WeakPolarHBondContact CA-O 3.33Å; K159-M169 HydrophobicContact CG-CB 3.99Å; K159-V198 CarbonylContact O-C 3.46Å; K159-V198 WeakPolarHBondContact O-CA 3.46Å; K159-V198 WeakPolarHBondContact O-CB 3.3Å; K159-Y199 HydrophobicContact CB-CD1 4.2Å; K159-Y199 HydrophobicContact CB-CE1 3.59Å; K159-Y199 HydrophobicContact CB-CE2 4.15Å; K159-Y199 HydrophobicContact CD-CE2 4.13Å; K159-Y199 WeakPolarHBondContact CD-OH 3.41Å; K159-Y199 PolarHBondContact N-O 2.98Å; K159-Y199 VanDerWaalsContact O-CD1 3.29Å; K159-Y199 WeakPolarHBondContact O-CD1 3.43Å; K159-Y199 PolarHBondContact O-N 2.79Å; K159-E201 WeakPolarHBondContact CE-OE2 3.48Å; K159-E201 IonicContact NZ-OE2 2.71Å; K159-E201 PolarHBondContact NZ-OE2 3.01Å
160A91.4Very high86.7Confident9 Ų944.2 Ų44.27%0.07424%0.242CC..EExtended strand (participates in β ladder)trans-65.3135.8166.900000110.2G162 G168 A189 F193 Y199A160-G162 VanDerWaalsContact C-N 3.32Å; A160-G168 PolarHBondContact N-O 2.88Å; A160-A189 HydrophobicContact CB-CB 3.67Å; A160-F193 HydrophobicContact CB-CD2 4.22Å; A160-F193 HydrophobicContact CB-CE2 4.16Å; A160-Y199 WeakPolarHBondContact O-CE1 3.49Å
161S88.1Confident86.6Confident0 Ų040 Ų400%023%0.228CC..SBendtrans-70.5-27.717758.20000113.4K116 N195 M197K116-S161 WeakPolarHBondContact CB-O 3.24Å; K116-S161 WeakPolarHBondContact CG-O 3.27Å; K116-S161 PolarHBondContact N-O 3.09Å; S161-N195 PolarHBondContact OG-ND2 2.71Å; S161-N195 VanDerWaalsContact OG-ND2 3.13Å; S161-M197 WeakPolarHBondContact CB-O 3.36Å; S161-M197 PolarHBondContact N-O 2.66Å; S161-M197 VanDerWaalsContact OG-CB 3.28Å; S161-M197 WeakPolarHBondContact OG-CB 3.46Å; S161-M197 PolarHBondContact OG-O 2.83Å
162G81.1Confident86.6Confident15 Ų1532.9 Ų32.916%0.15520%0.201CC..SBendtrans-111.4159.2176.100000112.1A160 F193A160-G162 VanDerWaalsContact C-N 3.32Å; G162-F193 VanDerWaalsContact O-CD2 3.3Å; G162-F193 WeakPolarHBondContact O-CD2 3.47Å; G162-F193 WeakPolarHBondContact O-CE2 3.49Å
163G72.1Confident86.6Confident42 Ų4239.2 Ų39.243%0.43322%0.224SC..  trans88.8-167.317900000113.9
164G68.4Low86.6Confident35 Ų3539.2 Ų39.236%0.36122%0.224SC..  trans-171.3-177.2-175.400000112.8
165G64.9Low86.6Confident48 Ų4838.5 Ų38.550%0.49522%0.224SC..THydrogen-bonded Turntrans74.728.5176.900000114.9R167G165-R167 VanDerWaalsContact C-N 3.32Å; G165-R167 PolarHBondContact O-N 2.84Å
166G68Low86.4Confident30 Ų3042.3 Ų42.331%0.30926%0.257SS..THydrogen-bonded Turntrans75.310.2175.600000116M169G166-M169 VanDerWaalsContact CA-CE 3.46Å; G166-M169 WeakPolarHBondContact O-CE 3.37Å
167R75.8Confident86.3Confident152 Ų15246.9 Ų46.957%0.57428%0.278SS*.  trans-88.9149.2172-67.4-169.7-63.5169.51.1111.2G165 F193G165-R167 VanDerWaalsContact C-N 3.32Å; G165-R167 PolarHBondContact O-N 2.84Å; R167-F193 HydrophobicContact CB-CZ 3.93Å
168G83.1Confident86.3Confident1 Ų146.2 Ų46.21%0.0128%0.275CS..SBendtrans71.640.1178.700000113.4K159 A160 T185 E188K159-G168 CarbonylContact C-O 3.05Å; K159-G168 WeakPolarHBondContact CA-O 3.33Å; A160-G168 PolarHBondContact N-O 2.88Å; G168-T185 VanDerWaalsContact O-CG2 3.27Å; G168-T185 WeakPolarHBondContact O-CG2 3.28Å; G168-E188 WeakPolarHBondContact CA-OE1 3.29Å; G168-E188 PolarHBondContact N-OE1 3.37Å
169M88.7Confident86.3Confident58 Ų5848.1 Ų48.129%0.28629%0.291SS..EExtended strand (participates in β ladder)trans-138.5144.5174.366.7-173.9-175.500113I157 I158 K159 G166 H236I157-M169 HydrophobicContact CD1-CB 4.16Å; I157-M169 HydrophobicContact CD1-CG 4.35Å; I157-M169 HydrophobicContact CD1-SD 4.18Å; I157-M169 HydrophobicContact CG1-CB 4.37Å; I158-M169 CarbonylContact O-C 3.52Å; I158-M169 WeakPolarHBondContact O-CA 3.47Å; K159-M169 HydrophobicContact CG-CB 3.99Å; G166-M169 VanDerWaalsContact CA-CE 3.46Å; G166-M169 WeakPolarHBondContact O-CE 3.37Å; M169-H236 VanDerWaalsContact CE-CE1 3.42Å; M169-H236 WeakPolarHBondContact CE-CE1 3.49Å; M169-H236 WeakPolarHBondContact CE-NE2 3.47Å
170R91.5Very high86.4Confident86 Ų8652.9 Ų52.933%0.32531%0.313SS..EExtended strand (participates in β ladder)trans-142.2129.3-179.6-68.5-175.2-174.8-88.6-16.2111.8I157 I158 T185 E188I157-R170 WeakPolarHBondContact CA-O 3.13Å; I157-R170 WeakPolarHBondContact CG1-O 3.5Å; I158-R170 PolarHBondContact N-O 3.05Å; I158-R170 PolarHBondContact O-N 3.03Å; R170-T185 WeakPolarHBondContact CD-OG1 3.31Å; R170-E188 IonicContact CZ-OE2 3.02Å; R170-E188 IonicContact NE-OE2 3.89Å; R170-E188 IonicContact NH2-OE2 3.88Å; R170-E188 PolarHBondContact NH2-OE2 2.99Å
171V93.1Very high86.5Confident55 Ų5553.1 Ų53.133%0.33331%0.314SS..EExtended strand (participates in β ladder)trans-78.8132.4172.9-173.80000108.9P155 I157 Y203P155-V171 HydrophobicContact CB-CG1 4.27Å; I157-V171 HydrophobicContact CD1-CG2 4.28Å; I157-V171 HydrophobicContact CG1-CG2 4.45Å; V171-Y203 HydrophobicContact CB-CD2 4.45Å; V171-Y203 HydrophobicContact CG1-CD1 4.06Å; V171-Y203 HydrophobicContact CG1-CD2 4.06Å; V171-Y203 HydrophobicContact CG1-CE1 4.35Å; V171-Y203 HydrophobicContact CG1-CE2 4.33Å; V171-Y203 HydrophobicContact CG1-CG 3.9Å; V171-Y203 HydrophobicContact CG2-CD2 3.59Å; V171-Y203 HydrophobicContact CG2-CE2 3.36Å; V171-Y203 HydrophobicContact CG2-CG 4.29Å
172V95.7Very high86.8Confident0 Ų053.4 Ų53.40%032%0.316CS..EExtended strand (participates in β ladder)trans-119.8117.6179.1-175.80000107.6Y154 P155 V156 I158 G174 E177 L178 S181Y154-V172 HydrophobicContact CD1-CG1 4.45Å; Y154-V172 WeakPolarHBondContact CD1-O 3.31Å; Y154-V172 HydrophobicContact CE1-CG1 3.93Å; P155-V172 WeakPolarHBondContact CA-O 3.39Å; V156-V172 HydrophobicContact CG2-CB 3.82Å; V156-V172 HydrophobicContact CG2-CG1 4.43Å; V156-V172 HydrophobicContact CG2-CG2 4.48Å; V156-V172 PolarHBondContact N-O 3.34Å; V156-V172 PolarHBondContact O-N 2.96Å; I158-V172 HydrophobicContact CD1-CG2 4.49Å; I158-V172 HydrophobicContact CG1-CG2 3.85Å; V172-G174 VanDerWaalsContact CG1-O 3.3Å; V172-G174 WeakPolarHBondContact CG1-O 3.42Å; V172-E177 HydrophobicContact CG1-CB 4.02Å; V172-L178 HydrophobicContact CG1-CB 4.21Å; V172-L178 HydrophobicContact CG1-CD1 4.14Å; V172-S181 WeakPolarHBondContact CG2-OG 3.46Å
173R94.8Very high87.5Confident155 Ų15556.5 Ų56.559%0.58534%0.335SS*.  trans-92.7-18.2-176.2-68.6-170.9171.7-81.2-0.5113.4Y154 P155 E177 E205Y154-R173 WeakPolarHBondContact CB-O 3.49Å; P155-R173 HydrophobicContact CB-CG 4.37Å; R173-E177 PolarHBondContact N-OE2 3.4Å; R173-E205 IonicContact NH1-OE1 2.56Å
174G93.8Very high88.5Confident24 Ų2458 Ų5825%0.24733%0.332CS..SBendtrans-158.1169.7178.500000113.8V172 A176 E177V172-G174 VanDerWaalsContact CG1-O 3.3Å; V172-G174 WeakPolarHBondContact CG1-O 3.42Å; G174-A176 PolarHBondContact O-N 3.38Å; G174-E177 PolarHBondContact O-N 3.16Å
175D93.1Very high89.7Confident43 Ų4356.4 Ų56.423%0.2332%0.315CS..Hα-helixtrans-62.2-29.1-172.9-165.479.7000114.1R146 Y154 E177 L178R146-D175 WeakPolarHBondContact CG-OD1 3.39Å; R146-D175 IonicContact CZ-OD2 3.95Å; R146-D175 IonicContact NE-OD2 3.38Å; R146-D175 IonicContact NH1-OD2 3.33Å; R146-D175 PolarHBondContact NH1-OD2 3.46Å; R146-D175 IonicContact NH2-OD2 3.98Å; Y154-D175 HydrophobicContact CE2-CB 4.39Å; Y154-D175 WeakPolarHBondContact OH-CA 3.38Å; Y154-D175 PolarHBondContact OH-OD1 3.14Å; D175-E177 VanDerWaalsContact C-N 3.26Å; D175-E177 PolarHBondContact O-N 2.87Å; D175-L178 PolarHBondContact O-N 3.25Å
176A93.1Very high91.1Very high96 Ų9656.3 Ų56.379%0.79330%0.299SS*.Hα-helixtrans-62.6-31.6178.900000113.2G174G174-A176 PolarHBondContact O-N 3.38Å
177E93.4Very high92.2Very high96 Ų9657.8 Ų57.845%0.44931%0.309SS..Hα-helixtrans-93.5-10.2-175.3-65.4169.1175.900112.6V172 R173 G174 D175 S181V172-E177 HydrophobicContact CG1-CB 4.02Å; R173-E177 PolarHBondContact N-OE2 3.4Å; G174-E177 PolarHBondContact O-N 3.16Å; D175-E177 VanDerWaalsContact C-N 3.26Å; D175-E177 PolarHBondContact O-N 2.87Å; E177-S181 VanDerWaalsContact O-CB 3.25Å; E177-S181 WeakPolarHBondContact O-CB 3.24Å; E177-S181 PolarHBondContact O-N 3.39Å; E177-S181 PolarHBondContact O-OG 3.23Å
178L95.1Very high92.9Very high0 Ų053.4 Ų53.40%030%0.295CS..Hα-helixtrans-63.6-50.7-166.8-176.166.6000112.8M142 R146 A149 V156 I158 V172 D175 Q180 S181 I182 M200M142-L178 HydrophobicContact CE-CD2 4.27Å; M142-L178 HydrophobicContact CE-CG 4.27Å; R146-L178 HydrophobicContact CB-CD2 4.4Å; R146-L178 HydrophobicContact CG-CD2 3.85Å; A149-L178 HydrophobicContact CB-CD1 4.38Å; A149-L178 HydrophobicContact CB-CD2 3.86Å; V156-L178 HydrophobicContact CG2-CD1 4.44Å; I158-L178 HydrophobicContact CD1-CD1 4.04Å; V172-L178 HydrophobicContact CG1-CB 4.21Å; V172-L178 HydrophobicContact CG1-CD1 4.14Å; D175-L178 PolarHBondContact O-N 3.25Å; L178-Q180 PolarHBondContact O-N 3.03Å; L178-S181 PolarHBondContact O-N 3.43Å; L178-I182 HydrophobicContact CD1-CD1 4.1Å; L178-I182 HydrophobicContact CD1-CG1 4.44Å; L178-I182 HydrophobicContact CG-CD1 3.97Å; L178-I182 WeakPolarHBondContact O-CG1 3.39Å; L178-I182 PolarHBondContact O-N 2.9Å; L178-M200 HydrophobicContact CD1-CE 3.74Å; L178-M200 HydrophobicContact CD2-CE 4.44Å
179A93.9Very high93.3Very high40 Ų4053.4 Ų53.433%0.33129%0.294SS..Hα-helixtrans-61.2-46.6-177.100000111.8M142 I182 S183M142-A179 HydrophobicContact CE-CB 3.65Å; M142-A179 HydrophobicContact SD-CB 4.09Å; A179-I182 PolarHBondContact O-N 3.26Å; A179-S183 PolarHBondContact O-N 2.94Å
180Q94.7Very high93.3Very high126 Ų12657 Ų5759%0.58931%0.308SS*.Hα-helixtrans-62.4-45.3177.6-178.6178.9-1.600110.8L178 I182 S183 M184L178-Q180 PolarHBondContact O-N 3.03Å; Q180-I182 PolarHBondContact O-N 2.94Å; Q180-S183 PolarHBondContact O-N 3.34Å; Q180-M184 HydrophobicContact CG-CG 4.24Å; Q180-M184 HydrophobicContact CG-SD 3.76Å; Q180-M184 WeakPolarHBondContact O-CB 3.25Å; Q180-M184 VanDerWaalsContact O-CG 3.3Å; Q180-M184 WeakPolarHBondContact O-CG 3.4Å; Q180-M184 PolarHBondContact O-N 2.94Å
181S94.7Very high93.2Very high13 Ų1357.1 Ų57.19%0.09133%0.328CS..Hα-helixtrans-64.2-39.7-178.9-61.40000112.5V172 E177 L178 T185V172-S181 WeakPolarHBondContact CG2-OG 3.46Å; E177-S181 VanDerWaalsContact O-CB 3.25Å; E177-S181 WeakPolarHBondContact O-CB 3.24Å; E177-S181 PolarHBondContact O-N 3.39Å; E177-S181 PolarHBondContact O-OG 3.23Å; L178-S181 PolarHBondContact O-N 3.43Å; S181-T185 VanDerWaalsContact O-CB 3.29Å; S181-T185 WeakPolarHBondContact O-CB 3.49Å; S181-T185 PolarHBondContact O-N 2.86Å; S181-T185 PolarHBondContact O-OG1 2.85Å
182I95Very high92.7Very high7 Ų756.5 Ų56.54%0.03633%0.329CS..Hα-helixtrans-61-52.6172.9-68.3168.7000110.1L138 M142 N145 I158 L178 A179 Q180 M184 T185 R186 V198L138-I182 HydrophobicContact CD1-CD1 3.73Å; L138-I182 HydrophobicContact CD1-CG1 3.77Å; L138-I182 HydrophobicContact CD1-CG2 4.49Å; M142-I182 HydrophobicContact CE-CD1 4.09Å; M142-I182 HydrophobicContact SD-CD1 4.15Å; N145-I182 HydrophobicContact CB-CD1 4.01Å; I158-I182 HydrophobicContact CD1-CG1 3.98Å; I158-I182 HydrophobicContact CG1-CG1 4.15Å; I158-I182 HydrophobicContact CG2-CG1 4.37Å; L178-I182 HydrophobicContact CD1-CD1 4.1Å; L178-I182 HydrophobicContact CD1-CG1 4.44Å; L178-I182 HydrophobicContact CG-CD1 3.97Å; L178-I182 WeakPolarHBondContact O-CG1 3.39Å; L178-I182 PolarHBondContact O-N 2.9Å; A179-I182 PolarHBondContact O-N 3.26Å; Q180-I182 PolarHBondContact O-N 2.94Å; I182-M184 PolarHBondContact O-N 3.07Å; I182-T185 PolarHBondContact O-N 3.33Å; I182-R186 HydrophobicContact CG2-CG 4.45Å; I182-R186 WeakPolarHBondContact O-CG 3.21Å; I182-R186 PolarHBondContact O-N 2.95Å; I182-V198 HydrophobicContact CG2-CG2 4.21Å
183S94Very high92.2Very high80 Ų8058.6 Ų58.656%0.55934%0.338SS*.Hα-helixtrans-58.9-46.5-178.4-176.70000112.4A179 Q180 R186 A187A179-S183 PolarHBondContact O-N 2.94Å; Q180-S183 PolarHBondContact O-N 3.34Å; S183-R186 PolarHBondContact O-N 2.95Å; S183-A187 PolarHBondContact O-N 3.35Å
184M93.6Very high91.7Very high74 Ų7456.8 Ų56.837%0.36535%0.349SS..Hα-helixtrans-64.1-43178.1-70.7-179.673.500112Q180 I182 A187 E188Q180-M184 HydrophobicContact CG-CG 4.24Å; Q180-M184 HydrophobicContact CG-SD 3.76Å; Q180-M184 WeakPolarHBondContact O-CB 3.25Å; Q180-M184 VanDerWaalsContact O-CG 3.3Å; Q180-M184 WeakPolarHBondContact O-CG 3.4Å; Q180-M184 PolarHBondContact O-N 2.94Å; I182-M184 PolarHBondContact O-N 3.07Å; M184-A187 PolarHBondContact O-N 3.09Å; M184-E188 WeakPolarHBondContact O-CB 3.22Å; M184-E188 PolarHBondContact O-N 2.82Å
185T93.6Very high91.4Very high0 Ų058 Ų580%035%0.35CS..Hα-helixtrans-66.4-38.5179.4-510000111.1I158 G168 R170 S181 I182 E188 A189 V198I158-T185 HydrophobicContact CG2-CG2 4.03Å; G168-T185 VanDerWaalsContact O-CG2 3.27Å; G168-T185 WeakPolarHBondContact O-CG2 3.28Å; R170-T185 WeakPolarHBondContact CD-OG1 3.31Å; S181-T185 VanDerWaalsContact O-CB 3.29Å; S181-T185 WeakPolarHBondContact O-CB 3.49Å; S181-T185 PolarHBondContact O-N 2.86Å; S181-T185 PolarHBondContact O-OG1 2.85Å; I182-T185 PolarHBondContact O-N 3.33Å; T185-E188 PolarHBondContact O-N 3.02Å; T185-A189 VanDerWaalsContact O-CB 3.26Å; T185-A189 WeakPolarHBondContact O-CB 3.4Å; T185-A189 PolarHBondContact O-N 2.98Å; T185-V198 HydrophobicContact CG2-CG1 3.85Å
186R93.7Very high91.2Very high46 Ų4659.4 Ų59.417%0.17436%0.357CS..Hα-helixtrans-60.6-46.4172.8-72.2-170.1178-88.312.4112.1L138 I182 S183 E188 A189 K190 D196 V198L138-R186 PolarHBondContact O-NH2 2.81Å; I182-R186 HydrophobicContact CG2-CG 4.45Å; I182-R186 WeakPolarHBondContact O-CG 3.21Å; I182-R186 PolarHBondContact O-N 2.95Å; S183-R186 PolarHBondContact O-N 2.95Å; R186-E188 VanDerWaalsContact C-N 3.34Å; R186-E188 PolarHBondContact O-N 3.11Å; R186-A189 PolarHBondContact O-N 2.94Å; R186-K190 WeakPolarHBondContact O-CB 3.45Å; R186-K190 PolarHBondContact O-N 3.32Å; R186-D196 WeakPolarHBondContact CG-O 3.23Å; R186-D196 PolarHBondContact NH1-O 3.38Å; R186-V198 HydrophobicContact CB-CG1 4.49Å; R186-V198 HydrophobicContact CG-CB 4.42Å; R186-V198 HydrophobicContact CG-CG1 3.87Å; R186-V198 HydrophobicContact CG-CG2 3.63Å
187A92.5Very high91.2Very high62 Ų6257.9 Ų57.951%0.51234%0.335SS..Hα-helixtrans-62.1-43.2179.300000111.5S183 M184 K190 A191S183-A187 PolarHBondContact O-N 3.35Å; M184-A187 PolarHBondContact O-N 3.09Å; A187-K190 PolarHBondContact O-N 3.39Å; A187-A191 WeakPolarHBondContact O-CB 3.23Å; A187-A191 PolarHBondContact O-N 2.84Å
188E90.7Very high91.2Very high60 Ų6053.3 Ų53.328%0.2831%0.313SS..Hα-helixtrans-63.7-46.2176-170.1179.4149.700111.8G168 R170 M184 T185 R186 K190 A191 A192G168-E188 WeakPolarHBondContact CA-OE1 3.29Å; G168-E188 PolarHBondContact N-OE1 3.37Å; R170-E188 IonicContact CZ-OE2 3.02Å; R170-E188 IonicContact NE-OE2 3.89Å; R170-E188 IonicContact NH2-OE2 3.88Å; R170-E188 PolarHBondContact NH2-OE2 2.99Å; M184-E188 WeakPolarHBondContact O-CB 3.22Å; M184-E188 PolarHBondContact O-N 2.82Å; T185-E188 PolarHBondContact O-N 3.02Å; R186-E188 VanDerWaalsContact C-N 3.34Å; R186-E188 PolarHBondContact O-N 3.11Å; E188-K190 PolarHBondContact O-N 3.46Å; E188-A191 PolarHBondContact O-N 3.32Å; E188-A192 VanDerWaalsContact O-CB 3.28Å; E188-A192 WeakPolarHBondContact O-CB 3.17Å; E188-A192 PolarHBondContact O-N 3.27Å
189A89.7Confident91.2Very high0 Ų053.8 Ų53.80%032%0.315CS..Hα-helixtrans-62.3-42.2178.200000111.9A160 T185 R186 A191 A192 F193 S194 N195A160-A189 HydrophobicContact CB-CB 3.67Å; T185-A189 VanDerWaalsContact O-CB 3.26Å; T185-A189 WeakPolarHBondContact O-CB 3.4Å; T185-A189 PolarHBondContact O-N 2.98Å; R186-A189 PolarHBondContact O-N 2.94Å; A189-A191 PolarHBondContact O-N 3.12Å; A189-A192 PolarHBondContact O-N 3.2Å; A189-F193 HydrophobicContact CB-CD2 4.46Å; A189-F193 WeakPolarHBondContact O-CA 3.47Å; A189-F193 WeakPolarHBondContact O-CB 3.27Å; A189-F193 PolarHBondContact O-N 3.38Å; A189-S194 PolarHBondContact O-N 3.48Å; A189-N195 CarbonylContact C-O 3.45Å; A189-N195 WeakPolarHBondContact CB-O 3.37Å
190K89.9Confident91.2Very high133 Ų13351.9 Ų51.958%0.57830%0.299SS*.Hα-helixtrans-59.5-46.2174.2-166.9171.2-179.1168.10112R186 A187 E188 S194 N195 D196R186-K190 WeakPolarHBondContact O-CB 3.45Å; R186-K190 PolarHBondContact O-N 3.32Å; A187-K190 PolarHBondContact O-N 3.39Å; E188-K190 PolarHBondContact O-N 3.46Å; K190-S194 VanDerWaalsContact O-CA 3.24Å; K190-S194 WeakPolarHBondContact O-CA 3.25Å; K190-S194 PolarHBondContact O-N 2.73Å; K190-S194 VanDerWaalsContact O-N 3.08Å; K190-N195 PolarHBondContact N-O 2.86Å; K190-D196 HydrophobicContact CB-CB 3.88Å; K190-D196 HydrophobicContact CD-CB 4.33Å; K190-D196 HydrophobicContact CG-CB 4.29Å
191A88.7Confident91.3Very high89 Ų8946 Ų4674%0.73627%0.272SS*.Hα-helixtrans-69.4-40.6-178.700000112.4A187 E188 A189A187-A191 WeakPolarHBondContact O-CB 3.23Å; A187-A191 PolarHBondContact O-N 2.84Å; E188-A191 PolarHBondContact O-N 3.32Å; A189-A191 PolarHBondContact O-N 3.12Å
192A83.5Confident91.3Very high42 Ų4247.9 Ų47.935%0.34728%0.279SS..Hα-helixtrans-85-35.6-173.900000113.8E188 A189E188-A192 VanDerWaalsContact O-CB 3.28Å; E188-A192 WeakPolarHBondContact O-CB 3.17Å; E188-A192 PolarHBondContact O-N 3.27Å; A189-A192 PolarHBondContact O-N 3.2Å
193F83.9Confident91.2Very high45 Ų4549.7 Ų49.720%0.19729%0.285CS..Hα-helixtrans-126.51.1-168.7-49.9-56.8000113.7A160 G162 R167 A189 N195A160-F193 HydrophobicContact CB-CD2 4.22Å; A160-F193 HydrophobicContact CB-CE2 4.16Å; G162-F193 VanDerWaalsContact O-CD2 3.3Å; G162-F193 WeakPolarHBondContact O-CD2 3.47Å; G162-F193 WeakPolarHBondContact O-CE2 3.49Å; R167-F193 HydrophobicContact CB-CZ 3.93Å; A189-F193 HydrophobicContact CB-CD2 4.46Å; A189-F193 WeakPolarHBondContact O-CA 3.47Å; A189-F193 WeakPolarHBondContact O-CB 3.27Å; A189-F193 PolarHBondContact O-N 3.38Å; F193-N195 PolarHBondContact O-N 3.22Å; F193-N195 VanDerWaalsContact O-N 3.1Å
194S85.3Confident91.1Very high117 Ų11746.6 Ų46.682%0.81826%0.262SS*.SBendtrans54.426.7-173.6-55.30000113.3A189 K190A189-S194 PolarHBondContact O-N 3.48Å; K190-S194 VanDerWaalsContact O-CA 3.24Å; K190-S194 WeakPolarHBondContact O-CA 3.25Å; K190-S194 PolarHBondContact O-N 2.73Å; K190-S194 VanDerWaalsContact O-N 3.08Å
195N86.5Confident90.9Very high48 Ų4847.5 Ų47.526%0.25727%0.266SS..  trans-139.8115.3177.71780.2000108.2S161 A189 K190 F193 M197S161-N195 PolarHBondContact OG-ND2 2.71Å; S161-N195 VanDerWaalsContact OG-ND2 3.13Å; A189-N195 CarbonylContact C-O 3.45Å; A189-N195 WeakPolarHBondContact CB-O 3.37Å; K190-N195 PolarHBondContact N-O 2.86Å; F193-N195 PolarHBondContact O-N 3.22Å; F193-N195 VanDerWaalsContact O-N 3.1Å; N195-M197 WeakPolarHBondContact OD1-CB 3.16Å; N195-M197 PolarHBondContact OD1-N 2.99Å
196D90.2Very high90.8Very high73 Ų7351.7 Ų51.739%0.3929%0.288SS..  trans-93.87.1-177.469.8-4.6000113.7R186 K190 V198R186-D196 WeakPolarHBondContact CG-O 3.23Å; R186-D196 PolarHBondContact NH1-O 3.38Å; K190-D196 HydrophobicContact CB-CB 3.88Å; K190-D196 HydrophobicContact CD-CB 4.33Å; K190-D196 HydrophobicContact CG-CB 4.29Å; D196-V198 PolarHBondContact O-N 2.8Å
197M92.7Very high90.9Very high65 Ų6549.6 Ų49.632%0.3228%0.28SS..  trans-74.2126.3178.8179.9-171.2-57.400110.4V117 P137 S161 N195V117-M197 HydrophobicContact CG2-SD 4.23Å; P137-M197 HydrophobicContact CB-CG 3.64Å; P137-M197 HydrophobicContact CB-SD 3.95Å; P137-M197 HydrophobicContact CG-SD 4.49Å; S161-M197 WeakPolarHBondContact CB-O 3.36Å; S161-M197 PolarHBondContact N-O 2.66Å; S161-M197 VanDerWaalsContact OG-CB 3.28Å; S161-M197 WeakPolarHBondContact OG-CB 3.46Å; S161-M197 PolarHBondContact OG-O 2.83Å; N195-M197 WeakPolarHBondContact OD1-CB 3.16Å; N195-M197 PolarHBondContact OD1-N 2.99Å
198V94.2Very high91.1Very high0 Ų047.7 Ų47.70%026%0.26CS..EExtended strand (participates in β ladder)trans-126.7154.5178.9-61.20000111P137 L138 I158 K159 I182 T185 R186 D196P137-V198 WeakPolarHBondContact CA-O 3.09Å; L138-V198 HydrophobicContact CB-CG2 4.35Å; L138-V198 HydrophobicContact CD1-CG2 4.27Å; L138-V198 PolarHBondContact N-O 2.83Å; I158-V198 HydrophobicContact CG2-CB 3.99Å; I158-V198 HydrophobicContact CG2-CG2 4.15Å; K159-V198 CarbonylContact O-C 3.46Å; K159-V198 WeakPolarHBondContact O-CA 3.46Å; K159-V198 WeakPolarHBondContact O-CB 3.3Å; I182-V198 HydrophobicContact CG2-CG2 4.21Å; T185-V198 HydrophobicContact CG2-CG1 3.85Å; R186-V198 HydrophobicContact CB-CG1 4.49Å; R186-V198 HydrophobicContact CG-CB 4.42Å; R186-V198 HydrophobicContact CG-CG1 3.87Å; R186-V198 HydrophobicContact CG-CG2 3.63Å; D196-V198 PolarHBondContact O-N 2.8Å
199Y94Very high91.5Very high10 Ų1045.5 Ų45.54%0.03925%0.249CC..EExtended strand (participates in β ladder)trans-133.8169.7176.266.9-78.4000110.3K116 V117 I120 I158 K159 A160 E201K116-Y199 HydrophobicContact CB-CE1 3.76Å; K116-Y199 HydrophobicContact CG-CE1 4.3Å; V117-Y199 HydrophobicContact CG2-CD1 4.23Å; V117-Y199 HydrophobicContact CG2-CG 4.4Å; I120-Y199 HydrophobicContact CD1-CD2 4.24Å; I120-Y199 HydrophobicContact CD1-CE2 3.74Å; I158-Y199 WeakPolarHBondContact CA-O 3.36Å; K159-Y199 HydrophobicContact CB-CD1 4.2Å; K159-Y199 HydrophobicContact CB-CE1 3.59Å; K159-Y199 HydrophobicContact CB-CE2 4.15Å; K159-Y199 HydrophobicContact CD-CE2 4.13Å; K159-Y199 WeakPolarHBondContact CD-OH 3.41Å; K159-Y199 PolarHBondContact N-O 2.98Å; K159-Y199 VanDerWaalsContact O-CD1 3.29Å; K159-Y199 WeakPolarHBondContact O-CD1 3.43Å; K159-Y199 PolarHBondContact O-N 2.79Å; A160-Y199 WeakPolarHBondContact O-CE1 3.49Å; Y199-E201 HydrophobicContact CD2-CG 3.91Å; Y199-E201 VanDerWaalsContact CE2-CD 3.47Å; Y199-E201 HydrophobicContact CE2-CG 3.7Å
200M95.1Very high91.9Very high0 Ų045.5 Ų45.50%025%0.249CC..EExtended strand (participates in β ladder)trans-120.8140.6-178.2-171-176-49.700110.9G133 S134 L138 I148 A149 I152 V156 I157 I158 L178G133-M200 CarbonylContact C-O 3.39Å; G133-M200 WeakPolarHBondContact CA-O 3.3Å; S134-M200 PolarHBondContact N-O 3.46Å; S134-M200 PolarHBondContact OG-N 3.4Å; S134-M200 PolarHBondContact OG-O 3.1Å; L138-M200 HydrophobicContact CD1-CB 4.15Å; L138-M200 HydrophobicContact CD1-CE 3.99Å; L138-M200 HydrophobicContact CD2-CB 4.03Å; L138-M200 HydrophobicContact CD2-CE 4Å; L138-M200 HydrophobicContact CG-CB 4.47Å; I148-M200 HydrophobicContact CG2-SD 4.17Å; A149-M200 VanDerWaalsContact CA-SD 3.5Å; A149-M200 HydrophobicContact CB-CE 3.99Å; A149-M200 HydrophobicContact CB-SD 3.55Å; A149-M200 VanDerWaalsContact CB-SD 3.55Å; I152-M200 HydrophobicContact CD1-CB 4.29Å; I152-M200 HydrophobicContact CD1-CG 3.87Å; I152-M200 HydrophobicContact CD1-SD 3.82Å; V156-M200 HydrophobicContact CB-CG 3.92Å; V156-M200 HydrophobicContact CB-SD 4.07Å; V156-M200 HydrophobicContact CG1-CG 4.43Å; V156-M200 HydrophobicContact CG1-SD 4.14Å; V156-M200 HydrophobicContact CG2-CG 4.05Å; V156-M200 HydrophobicContact CG2-SD 3.87Å; I157-M200 WeakPolarHBondContact O-CA 3.04Å; I158-M200 HydrophobicContact CD1-CB 4.02Å; I158-M200 HydrophobicContact CD1-CE 3.8Å; I158-M200 HydrophobicContact CD1-CG 3.75Å; I158-M200 HydrophobicContact CD1-SD 4.38Å; L178-M200 HydrophobicContact CD1-CE 3.74Å; L178-M200 HydrophobicContact CD2-CE 4.44Å
201E94.9Very high92.3Very high2 Ų239.1 Ų39.11%0.00922%0.222CC..EExtended strand (participates in β ladder)trans-136.9163.8174.8-74.5-175.1151.200111.6I120 V131 P132 V156 I157 K159 Y199 Y203I120-E201 WeakPolarHBondContact CD1-OE1 3.33Å; V131-E201 HydrophobicContact CB-CB 4.32Å; V131-E201 HydrophobicContact CB-CG 4.22Å; V131-E201 HydrophobicContact CG1-CB 3.82Å; V131-E201 HydrophobicContact CG1-CG 4.27Å; P132-E201 CarbonylContact O-C 3.56Å; P132-E201 WeakPolarHBondContact O-CA 3.33Å; V156-E201 CarbonylContact C-O 3.55Å; V156-E201 VanDerWaalsContact CA-O 3.26Å; V156-E201 WeakPolarHBondContact CA-O 3.19Å; V156-E201 WeakPolarHBondContact CB-O 3.4Å; I157-E201 HydrophobicContact CG2-CB 3.96Å; I157-E201 PolarHBondContact N-O 2.79Å; I157-E201 PolarHBondContact O-N 2.69Å; K159-E201 WeakPolarHBondContact CE-OE2 3.48Å; K159-E201 IonicContact NZ-OE2 2.71Å; K159-E201 PolarHBondContact NZ-OE2 3.01Å; Y199-E201 HydrophobicContact CD2-CG 3.91Å; Y199-E201 VanDerWaalsContact CE2-CD 3.47Å; Y199-E201 HydrophobicContact CE2-CG 3.7Å; E201-Y203 PolarHBondContact O-N 3.22Å
202K94.9Very high92.8Very high53 Ų5335 Ų3523%0.2319%0.187CC..EExtended strand (participates in β ladder)trans-61.5133.4166.3-176.266.5-171.3-177.50109.2V131 P132 I152 G153 Y154 L204V131-K202 HydrophobicContact CG1-CB 3.9Å; V131-K202 WeakPolarHBondContact CG1-O 3.19Å; P132-K202 HydrophobicContact CB-CB 4.37Å; P132-K202 PolarHBondContact O-N 3.15Å; I152-K202 HydrophobicContact CG2-CB 3.72Å; I152-K202 HydrophobicContact CG2-CD 4.01Å; I152-K202 HydrophobicContact CG2-CG 4.48Å; G153-K202 WeakPolarHBondContact O-CD 3.36Å; G153-K202 PolarHBondContact O-NZ 2.74Å; Y154-K202 PolarHBondContact O-NZ 2.8Å; K202-L204 HydrophobicContact CG-CD2 4.33Å
203Y93.2Very high93.5Very high45 Ų4533 Ų3318%0.17617%0.171CC..PPolyproline II helixtrans-85.3120.7167.8-176.3-100.9000109.2P155 I157 V171 E201 E205 H438P155-Y203 HydrophobicContact CB-CD1 4.23Å; P155-Y203 HydrophobicContact CG-CD1 3.87Å; P155-Y203 HydrophobicContact CG-CG 4.45Å; P155-Y203 WeakPolarHBondContact O-CB 3.41Å; P155-Y203 PolarHBondContact O-N 2.73Å; P155-Y203 VanDerWaalsContact O-N 3.09Å; I157-Y203 HydrophobicContact CB-CD2 4.11Å; I157-Y203 HydrophobicContact CD1-CD2 4.09Å; I157-Y203 HydrophobicContact CD1-CE2 4.41Å; V171-Y203 HydrophobicContact CB-CD2 4.45Å; V171-Y203 HydrophobicContact CG1-CD1 4.06Å; V171-Y203 HydrophobicContact CG1-CD2 4.06Å; V171-Y203 HydrophobicContact CG1-CE1 4.35Å; V171-Y203 HydrophobicContact CG1-CE2 4.33Å; V171-Y203 HydrophobicContact CG1-CG 3.9Å; V171-Y203 HydrophobicContact CG2-CD2 3.59Å; V171-Y203 HydrophobicContact CG2-CE2 3.36Å; V171-Y203 HydrophobicContact CG2-CG 4.29Å; E201-Y203 PolarHBondContact O-N 3.22Å; Y203-E205 HydrophobicContact CD1-CG 4.26Å; Y203-E205 HydrophobicContact CE1-CG 4.29Å; Y203-H438 PolarHBondContact OH-NE2 3.23Å
204L92.2Very high94.2Very high14 Ų1430.9 Ų30.97%0.07316%0.161CC..PPolyproline II helixtrans-88.4134.1171.7-58.7178.8000108.5K202 P207 L278 E280 Y285K202-L204 HydrophobicContact CG-CD2 4.33Å; L204-P207 HydrophobicContact CB-CB 4Å; L204-P207 HydrophobicContact CB-CG 3.99Å; L204-P207 HydrophobicContact CD1-CB 4.32Å; L204-P207 WeakPolarHBondContact O-CD 3.42Å; L204-L278 HydrophobicContact CB-CD1 4.48Å; L204-L278 HydrophobicContact CD1-CB 3.68Å; L204-L278 HydrophobicContact CD1-CD1 3.81Å; L204-L278 HydrophobicContact CD1-CG 4.39Å; L204-L278 HydrophobicContact CG-CD1 4.36Å; L204-E280 HydrophobicContact CD1-CB 4.48Å; L204-Y285 HydrophobicContact CD1-CD2 3.49Å; L204-Y285 VanDerWaalsContact CD1-CD2 3.49Å; L204-Y285 HydrophobicContact CD1-CE2 3.91Å; L204-Y285 HydrophobicContact CD1-CG 4.05Å; L204-Y285 HydrophobicContact CD2-CE2 4.43Å
205E89.6Confident94.9Very high94 Ų9425.3 Ų25.344%0.43912%0.122SC..SBendtrans-88.3-33.3-170.1-65.8-155.6173.300113.8R173 Y203 E280 H438R173-E205 IonicContact NH1-OE1 2.56Å; Y203-E205 HydrophobicContact CD1-CG 4.26Å; Y203-E205 HydrophobicContact CE1-CG 4.29Å; E205-E280 PolarHBondContact N-OE1 2.87Å; E205-H438 PolarHBondContact O-CD2 2.67Å
206N91.7Very high95.4Very high88 Ų8823 Ų2347%0.47111%0.111SC..SBendtrans-127.943-177.6-61-64.2000113E280 N436N206-E280 VanDerWaalsContact CA-OE1 3.26Å; N206-E280 WeakPolarHBondContact CA-OE1 3.42Å; N206-E280 PolarHBondContact N-OE1 3.45Å; N206-N436 PolarHBondContact OD1-ND2 2.88Å
207P95.4Very high95.8Very high2 Ų219.8 Ų19.81%0.0139%0.093CC..  trans-74.6143.1-17632.7-36.2000111.7L204 L278 N436 I437L204-P207 HydrophobicContact CB-CB 4Å; L204-P207 HydrophobicContact CB-CG 3.99Å; L204-P207 HydrophobicContact CD1-CB 4.32Å; L204-P207 WeakPolarHBondContact O-CD 3.42Å; P207-L278 HydrophobicContact CB-CB 3.83Å; P207-L278 HydrophobicContact CB-CD1 4.29Å; P207-L278 HydrophobicContact CB-CD2 3.87Å; P207-L278 HydrophobicContact CB-CG 4.18Å; P207-L278 HydrophobicContact CG-CD1 4.37Å; P207-L278 HydrophobicContact CG-CD2 4.06Å; P207-N436 WeakPolarHBondContact O-CA 3.43Å; P207-N436 VanDerWaalsContact O-CB 3.28Å; P207-N436 WeakPolarHBondContact O-CB 3.49Å; P207-I437 HydrophobicContact CG-CD1 3.78Å; P207-I437 HydrophobicContact CG-CG1 4.09Å; P207-I437 PolarHBondContact O-N 2.66Å
208R97.4Very high96Very high22 Ų2218.3 Ų18.38%0.08310%0.095CC..EExtended strand (participates in β ladder)trans-84.1154.5159.1-71.816962.3-165.81109.5V210 D229 S231 P246 L278 F279R208-V210 HydrophobicContact CB-CG2 4.16Å; R208-D229 IonicContact CZ-OD2 3.72Å; R208-D229 IonicContact NE-OD2 3.53Å; R208-D229 PolarHBondContact NE-OD2 2.76Å; R208-D229 IonicContact NH2-OD2 3.45Å; R208-D229 PolarHBondContact NH2-OD2 2.66Å; R208-S231 WeakPolarHBondContact CA-OG 3.22Å; R208-S231 WeakPolarHBondContact CB-OG 3.4Å; R208-P246 PolarHBondContact NH1-O 2.85Å; R208-P246 PolarHBondContact NH2-O 3.05Å; R208-L278 CarbonylContact O-C 3.5Å; R208-L278 WeakPolarHBondContact O-CA 3.34Å; R208-F279 HydrophobicContact CB-CB 4.27Å; R208-F279 PolarHBondContact N-O 2.93Å; R208-F279 PolarHBondContact O-N 2.87Å
209H97.7Very high96.1Very high13 Ų1323.7 Ų23.76%0.0612%0.12CC..EExtended strand (participates in β ladder)trans-99.8107.5170.4-169.7126.1000107.8E211 C230 S231 Q233 E276 I437H209-E211 IonicContact CD2-OE2 3.96Å; H209-E211 IonicContact NE2-OE2 2.78Å; H209-C230 PolarHBondContact O-N 3.07Å; H209-S231 PolarHBondContact N-OG 3.13Å; H209-Q233 VanDerWaalsContact CB-NE2 3.34Å; H209-Q233 VanDerWaalsContact CG-NE2 3.34Å; H209-Q233 PolarHBondContact ND1-NE2 2.85Å; H209-Q233 VanDerWaalsContact ND1-NE2 3.19Å; H209-E276 IonicContact CE1-OE2 2.88Å; H209-E276 PolarHBondContact CE1-OE2 3.13Å; H209-E276 VanDerWaalsContact NE2-CD 3.27Å; H209-E276 IonicContact NE2-OE1 2.76Å; H209-E276 IonicContact NE2-OE2 3.56Å; H209-E276 PolarHBondContact NE2-OE2 3.44Å; H209-I437 HydrophobicContact CB-CG2 3.7Å
210V98.6Very high96.2Very high0 Ų025.4 Ų25.40%014%0.141CC..EExtended strand (participates in β ladder)trans-123.1134.9-179.4-178.50000108.4R208 E227 R228 A245 F277 F279 F284R208-V210 HydrophobicContact CB-CG2 4.16Å; V210-E227 HydrophobicContact CG1-CB 3.78Å; V210-E227 HydrophobicContact CG1-CG 3.81Å; V210-R228 CarbonylContact C-O 3.37Å; V210-R228 VanDerWaalsContact CA-O 3.31Å; V210-R228 WeakPolarHBondContact CA-O 3.28Å; V210-A245 HydrophobicContact CG1-CB 4.15Å; V210-A245 HydrophobicContact CG2-CB 4.44Å; V210-F277 PolarHBondContact N-O 2.7Å; V210-F277 WeakPolarHBondContact O-CA 3.44Å; V210-F277 VanDerWaalsContact O-CB 3.3Å; V210-F277 WeakPolarHBondContact O-CB 3.32Å; V210-F277 PolarHBondContact O-N 3.15Å; V210-F277 VanDerWaalsContact O-O 3.1Å; V210-F279 HydrophobicContact CB-CB 4.12Å; V210-F279 HydrophobicContact CG2-CB 3.74Å; V210-F279 HydrophobicContact CG2-CG 4.29Å; V210-F284 HydrophobicContact CB-CE1 4Å; V210-F284 HydrophobicContact CG1-CE1 3.66Å; V210-F284 HydrophobicContact CG1-CZ 4.08Å
211E98.6Very high96.3Very high0 Ų029.6 Ų29.60%016%0.163CC..EExtended strand (participates in β ladder)trans-134.2147-173.267.6-174.8-147.900112.1H209 E227 R228 K238 T274 F275 E276 Q294 E296H209-E211 IonicContact CD2-OE2 3.96Å; H209-E211 IonicContact NE2-OE2 2.78Å; E211-E227 CarbonylContact O-C 3.55Å; E211-E227 WeakPolarHBondContact O-CA 3.39Å; E211-E227 WeakPolarHBondContact O-CB 3.41Å; E211-R228 HydrophobicContact CG-CB 3.83Å; E211-R228 PolarHBondContact N-O 3.19Å; E211-R228 PolarHBondContact O-N 3.33Å; E211-R228 IonicContact OE1-CZ 3.22Å; E211-R228 IonicContact OE1-NE 2.74Å; E211-R228 PolarHBondContact OE1-NE 2.91Å; E211-R228 IonicContact OE1-NH2 2.67Å; E211-R228 PolarHBondContact OE1-NH2 3.1Å; E211-K238 IonicContact OE1-NZ 3.78Å; E211-K238 IonicContact OE2-NZ 3.33Å; E211-K238 PolarHBondContact OE2-NZ 2.72Å; E211-T274 HydrophobicContact CB-CG2 3.66Å; E211-T274 HydrophobicContact CG-CG2 3.78Å; E211-F275 CarbonylContact C-O 3.58Å; E211-F275 WeakPolarHBondContact CA-O 3.46Å; E211-F275 WeakPolarHBondContact CB-O 3.49Å; E211-E276 HydrophobicContact CB-CB 4.47Å; E211-E276 HydrophobicContact CB-CG 4.01Å; E211-Q294 PolarHBondContact OE1-OE1 2.94Å; E211-Q294 VanDerWaalsContact OE1-OE1 3.06Å; E211-E296 WeakPolarHBondContact OE1-CG 3.35Å; E211-E296 VanDerWaalsContact OE1-OE1 3.12Å
212I98.8Very high96.5Very high2 Ų230.3 Ų30.31%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-109.2116.5-175.5-50.6-55.9000109.4V214 E227 I256 C260 T274 F275 F277 F284I212-V214 HydrophobicContact CG2-CG1 4.35Å; I212-E227 HydrophobicContact CD1-CB 3.39Å; I212-I256 HydrophobicContact CD1-CG2 3.69Å; I212-I256 HydrophobicContact CG1-CG1 4.3Å; I212-I256 HydrophobicContact CG1-CG2 4.09Å; I212-C260 HydrophobicContact CG2-CB 4.21Å; I212-T274 WeakPolarHBondContact O-CA 3.25Å; I212-T274 VanDerWaalsContact O-CG2 3.24Å; I212-T274 WeakPolarHBondContact O-CG2 3.4Å; I212-F275 PolarHBondContact N-O 2.86Å; I212-F275 PolarHBondContact O-N 3.06Å; I212-F277 HydrophobicContact CB-CE2 4.48Å; I212-F277 HydrophobicContact CG1-CD2 4.19Å; I212-F277 HydrophobicContact CG1-CE2 3.76Å; I212-F284 HydrophobicContact CD1-CE1 4.48Å
213Q98.8Very high96.7Very high0 Ų028 Ų280%016%0.16CC..EExtended strand (participates in β ladder)trans-72.5133.3172.8-178.760.862.100109.8Y224 L225 A226 G273 T274 T300 L308Q213-Y224 CarbonylContact O-C 3.56Å; Q213-Y224 VanDerWaalsContact O-CA 3.3Å; Q213-Y224 WeakPolarHBondContact O-CA 3.42Å; Q213-L225 HydrophobicContact CB-CB 4.08Å; Q213-L225 HydrophobicContact CG-CB 3.99Å; Q213-L225 HydrophobicContact CG-CD1 4.02Å; Q213-L225 PolarHBondContact O-N 3.42Å; Q213-A226 PolarHBondContact N-O 3.01Å; Q213-G273 PolarHBondContact NE2-O 2.58Å; Q213-T274 PolarHBondContact OE1-OG1 2.77Å; Q213-T300 HydrophobicContact CB-CG2 4.07Å; Q213-T300 HydrophobicContact CG-CG2 3.92Å; Q213-L308 HydrophobicContact CG-CD1 4.11Å; Q213-L308 HydrophobicContact CG-CD2 4.06Å
214V98.8Very high96.9Very high0 Ų027 Ų270%016%0.156CC..EExtended strand (participates in β ladder)trans-128.9154.2174.3-65.60000112.2I212 I223 C260 G273 F275 M289I212-V214 HydrophobicContact CG2-CG1 4.35Å; V214-I223 VanDerWaalsContact CA-O 3.27Å; V214-I223 WeakPolarHBondContact CA-O 3.49Å; V214-C260 HydrophobicContact CG1-CB 3.96Å; V214-G273 WeakPolarHBondContact CG2-O 3.19Å; V214-G273 PolarHBondContact N-O 3.03Å; V214-G273 PolarHBondContact O-N 2.96Å; V214-F275 HydrophobicContact CB-CE2 4.48Å; V214-F275 HydrophobicContact CG1-CD2 3.95Å; V214-F275 HydrophobicContact CG1-CE2 3.94Å; V214-F275 HydrophobicContact CG2-CD2 4.02Å; V214-F275 HydrophobicContact CG2-CE2 3.79Å; V214-M289 HydrophobicContact CG2-CE 4.07Å
215L98.8Very high97.2Very high0 Ų026.4 Ų26.40%015%0.153CC..EExtended strand (participates in β ladder)trans-127.2138.4163-71.1172.4000108.6A222 I223 L225 A272 V306 L308 E311 I315 L321L215-A222 CarbonylContact O-C 3.48Å; L215-A222 WeakPolarHBondContact O-CA 3.39Å; L215-I223 HydrophobicContact CB-CD1 4.43Å; L215-I223 HydrophobicContact CB-CG1 3.98Å; L215-I223 HydrophobicContact CD1-CD1 4.38Å; L215-I223 PolarHBondContact N-O 3.47Å; L215-I223 PolarHBondContact O-N 2.75Å; L215-L225 HydrophobicContact CD1-CD1 3.73Å; L215-L225 HydrophobicContact CG-CD1 3.9Å; L215-A272 HydrophobicContact CD2-CB 3.76Å; L215-V306 HydrophobicContact CD1-CG1 4.27Å; L215-L308 HydrophobicContact CD1-CD2 3.9Å; L215-L308 HydrophobicContact CD2-CD2 3.89Å; L215-L308 HydrophobicContact CG-CD2 3.87Å; L215-E311 HydrophobicContact CD1-CB 3.66Å; L215-E311 HydrophobicContact CD1-CG 3.74Å; L215-E311 HydrophobicContact CD2-CB 4.16Å; L215-I315 HydrophobicContact CD2-CD1 4.33Å; L215-L321 HydrophobicContact CB-CD2 3.87Å
216A98.7Very high97.6Very high1 Ų122 Ų221%0.00813%0.133CC..EExtended strand (participates in β ladder)trans-138.7141.2172.300000110.3N221 A222 C264 Y269 R270 G271A216-N221 VanDerWaalsContact CA-O 3.31Å; A216-N221 WeakPolarHBondContact CA-O 3.2Å; A216-A222 HydrophobicContact CB-CB 3.71Å; A216-C264 HydrophobicContact CB-CB 4.03Å; A216-Y269 HydrophobicContact CB-CD1 4.15Å; A216-Y269 WeakPolarHBondContact CB-O 3.34Å; A216-R270 CarbonylContact O-C 3.42Å; A216-R270 WeakPolarHBondContact O-CA 3.15Å; A216-G271 PolarHBondContact N-O 3.24Å; A216-G271 PolarHBondContact O-N 2.82Å
217D98.2Very high98Very high4 Ų417.8 Ų17.82%0.02111%0.11CC..EExtended strand (participates in β ladder)trans-87.9-7.4-178.558.815.3000113.5Q219 N221 I315 L321D217-Q219 PolarHBondContact O-N 3.46Å; D217-Q219 WeakPolarHBondContact OD1-CA 3.13Å; D217-Q219 WeakPolarHBondContact OD1-CB 3.28Å; D217-Q219 PolarHBondContact OD1-N 3.1Å; D217-N221 PolarHBondContact N-O 3.04Å; D217-N221 VanDerWaalsContact N-O 3.07Å; D217-N221 PolarHBondContact OD1-N 2.95Å; D217-N221 VanDerWaalsContact OD1-N 3.11Å; D217-N221 VanDerWaalsContact OD1-O 3.14Å; D217-N221 WeakPolarHBondContact OD2-CB 3.37Å; D217-N221 PolarHBondContact OD2-ND2 3.21Å; D217-I315 HydrophobicContact CB-CG1 4.41Å; D217-L321 HydrophobicContact CB-CD2 4.4Å; D217-L321 HydrophobicContact CB-CG 4.07Å; D217-L321 PolarHBondContact OD2-N 2.85Å
218G96Very high98.1Very high35 Ų3517.7 Ų17.736%0.36111%0.11SC..SBendtrans69.510.3-172.700000113.8Y269G218-Y269 WeakPolarHBondContact CA-O 3.3Å; G218-Y269 PolarHBondContact N-O 3.32Å; G218-Y269 VanDerWaalsContact N-O 3.08Å
219Q96.5Very high98.2Very high112 Ų11217 Ų1752%0.52311%0.107SC..SBendtrans-114.618.1-177.7-55.5178.954.900111.6D217 G318 Q319D217-Q219 PolarHBondContact O-N 3.46Å; D217-Q219 WeakPolarHBondContact OD1-CA 3.13Å; D217-Q219 WeakPolarHBondContact OD1-CB 3.28Å; D217-Q219 PolarHBondContact OD1-N 3.1Å; Q219-G318 PolarHBondContact NE2-O 3.16Å; Q219-G318 VanDerWaalsContact NE2-O 3.1Å; Q219-Q319 PolarHBondContact NE2-O 3Å
220G95.6Very high98.2Very high47 Ų4716.3 Ų16.349%0.48510%0.104SC..SBendtrans96.91.2179.900000114.6
221N98.1Very high98.1Very high87 Ų8716.3 Ų16.347%0.46510%0.104SC..  trans-112.8138.1176-46.9-68.7000111.4A216 D217 L321A216-N221 VanDerWaalsContact CA-O 3.31Å; A216-N221 WeakPolarHBondContact CA-O 3.2Å; D217-N221 PolarHBondContact N-O 3.04Å; D217-N221 VanDerWaalsContact N-O 3.07Å; D217-N221 PolarHBondContact OD1-N 2.95Å; D217-N221 VanDerWaalsContact OD1-N 3.11Å; D217-N221 VanDerWaalsContact OD1-O 3.14Å; D217-N221 WeakPolarHBondContact OD2-CB 3.37Å; D217-N221 PolarHBondContact OD2-ND2 3.21Å; N221-L321 HydrophobicContact CB-CD1 3.99Å
222A98.7Very high98Very high18 Ų1816.6 Ų16.615%0.14911%0.106CC..EExtended strand (participates in β ladder)trans-146.2148.4171.100000110.1L215 A216 A261 C264 V265L215-A222 CarbonylContact O-C 3.48Å; L215-A222 WeakPolarHBondContact O-CA 3.39Å; A216-A222 HydrophobicContact CB-CB 3.71Å; A222-A261 HydrophobicContact CB-CB 4.23Å; A222-A261 WeakPolarHBondContact CB-O 3.38Å; A222-C264 HydrophobicContact CB-CB 3.71Å; A222-V265 HydrophobicContact CB-CG2 3.84Å
223I98.7Very high97.8Very high5 Ų517 Ų173%0.02611%0.107CC..EExtended strand (participates in β ladder)trans-132.2155.2175.962.7177000110V214 L215 L225 L321 I323 Q325 V328V214-I223 VanDerWaalsContact CA-O 3.27Å; V214-I223 WeakPolarHBondContact CA-O 3.49Å; L215-I223 HydrophobicContact CB-CD1 4.43Å; L215-I223 HydrophobicContact CB-CG1 3.98Å; L215-I223 HydrophobicContact CD1-CD1 4.38Å; L215-I223 PolarHBondContact N-O 3.47Å; L215-I223 PolarHBondContact O-N 2.75Å; I223-L225 HydrophobicContact CD1-CD2 4.25Å; I223-L321 HydrophobicContact CD1-CD1 4.46Å; I223-L321 HydrophobicContact CG1-CD1 4.11Å; I223-L321 HydrophobicContact CG2-CD1 3.95Å; I223-I323 HydrophobicContact CD1-CG2 3.44Å; I223-I323 VanDerWaalsContact CD1-CG2 3.44Å; I223-Q325 VanDerWaalsContact CA-OE1 3.32Å; I223-Q325 HydrophobicContact CG2-CB 4.19Å; I223-V328 HydrophobicContact CD1-CG2 4.28Å
224Y98.7Very high97.5Very high24 Ų2418.5 Ų18.59%0.09411%0.113CC..EExtended strand (participates in β ladder)trans-108.2144.1167.466.9-87.9000110.9Q213 R253 G257 E258 A261 Q325Q213-Y224 CarbonylContact O-C 3.56Å; Q213-Y224 VanDerWaalsContact O-CA 3.3Å; Q213-Y224 WeakPolarHBondContact O-CA 3.42Å; Y224-R253 HydrophobicContact CE2-CG 4.2Å; Y224-G257 VanDerWaalsContact CD1-O 3.26Å; Y224-G257 WeakPolarHBondContact CD1-O 3.27Å; Y224-G257 VanDerWaalsContact CG-CA 3.46Å; Y224-E258 HydrophobicContact CE1-CG 4.06Å; Y224-A261 HydrophobicContact CD1-CB 4.37Å; Y224-Q325 VanDerWaalsContact CD1-CD 3.49Å; Y224-Q325 HydrophobicContact CD1-CG 4.48Å; Y224-Q325 HydrophobicContact CE1-CG 3.93Å; Y224-Q325 VanDerWaalsContact CE1-OE1 3.25Å; Y224-Q325 PolarHBondContact O-NE2 3.3Å; Y224-Q325 VanDerWaalsContact O-NE2 3.08Å
225L98.7Very high96.9Very high0 Ų026 Ų260%014%0.141CC..EExtended strand (participates in β ladder)trans-118.152.7-174.3-65.3163.8000110.2Q213 L215 I223 T300 T304 V306 L308 V328Q213-L225 HydrophobicContact CB-CB 4.08Å; Q213-L225 HydrophobicContact CG-CB 3.99Å; Q213-L225 HydrophobicContact CG-CD1 4.02Å; Q213-L225 PolarHBondContact O-N 3.42Å; L215-L225 HydrophobicContact CD1-CD1 3.73Å; L215-L225 HydrophobicContact CG-CD1 3.9Å; I223-L225 HydrophobicContact CD1-CD2 4.25Å; L225-T300 HydrophobicContact CB-CG2 3.57Å; L225-T300 HydrophobicContact CD1-CG2 4.46Å; L225-T300 VanDerWaalsContact O-CG2 3.28Å; L225-T300 WeakPolarHBondContact O-CG2 3.22Å; L225-T304 HydrophobicContact CB-CG2 4.31Å; L225-T304 HydrophobicContact CD2-CG2 4.26Å; L225-V306 HydrophobicContact CD1-CG1 4.34Å; L225-V306 HydrophobicContact CD2-CB 4.17Å; L225-V306 HydrophobicContact CD2-CG1 4.38Å; L225-V306 HydrophobicContact CD2-CG2 3.83Å; L225-L308 HydrophobicContact CD1-CD2 3.37Å; L225-L308 HydrophobicContact CD1-CG 4.47Å; L225-V328 HydrophobicContact CD2-CG1 3.86Å; L225-V328 HydrophobicContact CD2-CG2 3.82Å
226A98Very high96.3Very high2 Ų229.4 Ų29.42%0.01716%0.157CC..EExtended strand (participates in β ladder)trans58.3-173.8-174.700000114.2Q213 I303 V330Q213-A226 PolarHBondContact N-O 3.01Å; A226-I303 HydrophobicContact CB-CD1 4.15Å; A226-V330 HydrophobicContact CB-CG2 3.65Å
227E98.6Very high95.9Very high0 Ų034.4 Ų34.40%018%0.18CC..EExtended strand (participates in β ladder)trans-104155178.978.8-67.216300113V210 E211 I212 P244 A245 I248 R253V210-E227 HydrophobicContact CG1-CB 3.78Å; V210-E227 HydrophobicContact CG1-CG 3.81Å; E211-E227 CarbonylContact O-C 3.55Å; E211-E227 WeakPolarHBondContact O-CA 3.39Å; E211-E227 WeakPolarHBondContact O-CB 3.41Å; I212-E227 HydrophobicContact CD1-CB 3.39Å; E227-P244 VanDerWaalsContact OE1-CB 3.28Å; E227-P244 WeakPolarHBondContact OE1-CB 3.23Å; E227-A245 HydrophobicContact CG-CB 3.43Å; E227-A245 VanDerWaalsContact CG-CB 3.43Å; E227-A245 PolarHBondContact OE1-N 3.21Å; E227-I248 HydrophobicContact CG-CB 4.28Å; E227-I248 HydrophobicContact CG-CG1 4.25Å; E227-I248 HydrophobicContact CG-CG2 4.14Å; E227-R253 IonicContact OE1-CZ 2.71Å; E227-R253 IonicContact OE1-NE 3.46Å; E227-R253 IonicContact OE1-NH2 3.34Å; E227-R253 PolarHBondContact OE1-NH2 2.87Å; E227-R253 WeakPolarHBondContact OE2-CD 3.48Å; E227-R253 WeakPolarHBondContact OE2-CG 3.39Å; E227-R253 IonicContact OE2-CZ 3.38Å; E227-R253 IonicContact OE2-NE 2.66Å; E227-R253 PolarHBondContact OE2-NE 3.28Å; E227-R253 IonicContact OE2-NH2 3.5Å; E227-R253 PolarHBondContact OE2-NH2 3.33Å
228R98.7Very high95.7Very high0 Ų035.4 Ų35.40%019%0.185CC..EExtended strand (participates in β ladder)trans-114.3143.1166.6-55.7-174.9-74.2-97.90.2109.6V210 E211 E242 A243 T274 E296 V299 T300V210-R228 CarbonylContact C-O 3.37Å; V210-R228 VanDerWaalsContact CA-O 3.31Å; V210-R228 WeakPolarHBondContact CA-O 3.28Å; E211-R228 HydrophobicContact CG-CB 3.83Å; E211-R228 PolarHBondContact N-O 3.19Å; E211-R228 PolarHBondContact O-N 3.33Å; E211-R228 IonicContact OE1-CZ 3.22Å; E211-R228 IonicContact OE1-NE 2.74Å; E211-R228 PolarHBondContact OE1-NE 2.91Å; E211-R228 IonicContact OE1-NH2 2.67Å; E211-R228 PolarHBondContact OE1-NH2 3.1Å; R228-E242 CarbonylContact C-O 3.56Å; R228-E242 VanDerWaalsContact CA-O 3.27Å; R228-E242 WeakPolarHBondContact CA-O 3.16Å; R228-A243 HydrophobicContact CG-CB 4.11Å; R228-T274 PolarHBondContact NH2-OG1 3.4Å; R228-E296 VanDerWaalsContact CD-O 3.26Å; R228-E296 WeakPolarHBondContact CD-O 3.49Å; R228-E296 VanDerWaalsContact NE-CG 3.34Å; R228-V299 HydrophobicContact CG-CG2 3.8Å; R228-T300 WeakPolarHBondContact CD-OG1 3.31Å; R228-T300 PolarHBondContact NH1-OG1 2.8Å
229D98.6Very high95.8Very high6 Ų634 Ų343%0.03217%0.169CC..EExtended strand (participates in β ladder)trans-95.2121.8164.7-167.4-41.2000108.8R208 S231 E241 E242 A245R208-D229 IonicContact CZ-OD2 3.72Å; R208-D229 IonicContact NE-OD2 3.53Å; R208-D229 PolarHBondContact NE-OD2 2.76Å; R208-D229 IonicContact NH2-OD2 3.45Å; R208-D229 PolarHBondContact NH2-OD2 2.66Å; D229-S231 WeakPolarHBondContact OD1-CA 3.46Å; D229-S231 WeakPolarHBondContact OD1-CB 3.41Å; D229-S231 PolarHBondContact OD1-N 2.62Å; D229-S231 PolarHBondContact OD1-OG 2.87Å; D229-E241 VanDerWaalsContact O-CA 3.3Å; D229-E241 WeakPolarHBondContact O-CA 3.13Å; D229-E242 HydrophobicContact CB-CG 3.87Å; D229-E242 PolarHBondContact N-O 2.99Å; D229-E242 PolarHBondContact O-N 3.08Å; D229-A245 HydrophobicContact CB-CB 3.72Å
230C98Very high95.9Very high0 Ų028.9 Ų28.90%015%0.145CC..EExtended strand (participates in β ladder)trans-119.524.5-179.6-58.20000111H209 M232 Q233 K238 E241H209-C230 PolarHBondContact O-N 3.07Å; C230-M232 VanDerWaalsContact C-N 3.31Å; C230-M232 PolarHBondContact O-N 2.86Å; C230-Q233 WeakPolarHBondContact O-CG 3.26Å; C230-Q233 PolarHBondContact O-NE2 2.88Å; C230-K238 HydrophobicContact CB-CD 3.71Å; C230-K238 HydrophobicContact CB-CG 4.06Å; C230-E241 HydrophobicContact CB-CG 4.23Å
231S97.4Very high96Very high0 Ų026.6 Ų26.60%012%0.122CC..EExtended strand (participates in β ladder)trans-72.2-20.8-171.5-52.70000113.6R208 H209 D229 Q233 T435 I437R208-S231 WeakPolarHBondContact CA-OG 3.22Å; R208-S231 WeakPolarHBondContact CB-OG 3.4Å; H209-S231 PolarHBondContact N-OG 3.13Å; D229-S231 WeakPolarHBondContact OD1-CA 3.46Å; D229-S231 WeakPolarHBondContact OD1-CB 3.41Å; D229-S231 PolarHBondContact OD1-N 2.62Å; D229-S231 PolarHBondContact OD1-OG 2.87Å; S231-Q233 VanDerWaalsContact C-N 3.33Å; S231-Q233 PolarHBondContact O-N 2.9Å; S231-T435 WeakPolarHBondContact CB-O 3.42Å; S231-I437 WeakPolarHBondContact O-CA 3.27Å
232M96.4Very high96.1Very high5 Ų522.8 Ų22.83%0.02510%0.101CC..EExtended strand (participates in β ladder)trans-74.987.7173.9-73.5-5787.300111C230 V239 V240 F430 T435 Y439 L440C230-M232 VanDerWaalsContact C-N 3.31Å; C230-M232 PolarHBondContact O-N 2.86Å; M232-V239 WeakPolarHBondContact O-CB 3.36Å; M232-V239 PolarHBondContact O-N 3.15Å; M232-V240 HydrophobicContact CB-CB 3.87Å; M232-V240 HydrophobicContact CG-CB 4.41Å; M232-V240 PolarHBondContact O-N 3.11Å; M232-F430 HydrophobicContact CG-CD2 3.67Å; M232-F430 HydrophobicContact CG-CE2 3.76Å; M232-F430 HydrophobicContact SD-CD2 4.12Å; M232-T435 HydrophobicContact CE-CG2 4.47Å; M232-T435 WeakPolarHBondContact CE-OG1 3.43Å; M232-Y439 HydrophobicContact CE-CD1 3.76Å; M232-Y439 HydrophobicContact CE-CG 4.24Å; M232-Y439 HydrophobicContact SD-CD1 3.9Å; M232-L440 HydrophobicContact SD-CB 4.18Å
233Q94.6Very high96.1Very high10 Ų1021.9 Ų21.95%0.0479%0.094CC..EExtended strand (participates in β ladder)trans-122.6151.5-174.6-53.4-1765.500112.6H209 C230 S231 Q237 K238 L440H209-Q233 VanDerWaalsContact CB-NE2 3.34Å; H209-Q233 VanDerWaalsContact CG-NE2 3.34Å; H209-Q233 PolarHBondContact ND1-NE2 2.85Å; H209-Q233 VanDerWaalsContact ND1-NE2 3.19Å; C230-Q233 WeakPolarHBondContact O-CG 3.26Å; C230-Q233 PolarHBondContact O-NE2 2.88Å; S231-Q233 VanDerWaalsContact C-N 3.33Å; S231-Q233 PolarHBondContact O-N 2.9Å; Q233-Q237 CarbonylContact C-O 3.48Å; Q233-Q237 WeakPolarHBondContact CA-O 3.16Å; Q233-Q237 WeakPolarHBondContact CB-O 3.3Å; Q233-K238 HydrophobicContact CG-CG 4.39Å; Q233-L440 WeakPolarHBondContact O-CB 3.47Å
234R91Very high96.1Very high33 Ų3322.8 Ų22.813%0.12510%0.1CC..EExtended strand (participates in β ladder)trans-128.9116.6171.6-175.2-165.770.9-166.42.7108.8H236 Q237 V239 E342 L440 L444 L446R234-H236 VanDerWaalsContact C-N 3.28Å; R234-H236 PolarHBondContact O-N 3.1Å; R234-Q237 PolarHBondContact N-O 3.07Å; R234-Q237 VanDerWaalsContact O-CB 3.28Å; R234-Q237 WeakPolarHBondContact O-CB 3.3Å; R234-Q237 PolarHBondContact O-N 3.5Å; R234-V239 HydrophobicContact CB-CG2 3.94Å; R234-E342 IonicContact CZ-OE2 3.45Å; R234-E342 VanDerWaalsContact CZ-OE2 3.31Å; R234-E342 IonicContact NH1-OE1 2.71Å; R234-E342 IonicContact NH1-OE2 2.74Å; R234-E342 PolarHBondContact NH1-OE2 3.44Å; R234-E342 IonicContact NH2-OE2 3.17Å; R234-E342 PolarHBondContact NH2-OE2 3.2Å; R234-L440 HydrophobicContact CB-CD2 4.49Å; R234-L444 HydrophobicContact CG-CD1 4.41Å; R234-L446 HydrophobicContact CG-CD1 3.54Å
235R86.6Confident96.1Very high156 Ų15621.8 Ų21.859%0.58910%0.097SC*.THydrogen-bonded Turntrans5248-174.6-59.6178.6179.6168-0.4111.7Q237 E441R235-Q237 PolarHBondContact O-N 3.32Å; R235-Q237 VanDerWaalsContact O-N 3.09Å; R235-E441 WeakPolarHBondContact CA-OE1 3.07Å; R235-E441 PolarHBondContact N-OE1 3.39Å
236H85.9Confident96Very high73 Ų7322.9 Ų22.934%0.33810%0.104SC..THydrogen-bonded Turntrans58.816.3-175.1-48.7-67.2000115.1M169 R234M169-H236 VanDerWaalsContact CE-CE1 3.42Å; M169-H236 WeakPolarHBondContact CE-CE1 3.49Å; M169-H236 WeakPolarHBondContact CE-NE2 3.47Å; R234-H236 VanDerWaalsContact C-N 3.28Å; R234-H236 PolarHBondContact O-N 3.1Å
237Q90.1Very high95.7Very high105 Ų10526.1 Ų26.149%0.49114%0.138SC..EExtended strand (participates in β ladder)trans-99.6125.4171.2-59.1-58.8-54.500109.4Q233 R234 R235Q233-Q237 CarbonylContact C-O 3.48Å; Q233-Q237 WeakPolarHBondContact CA-O 3.16Å; Q233-Q237 WeakPolarHBondContact CB-O 3.3Å; R234-Q237 PolarHBondContact N-O 3.07Å; R234-Q237 VanDerWaalsContact O-CB 3.28Å; R234-Q237 WeakPolarHBondContact O-CB 3.3Å; R234-Q237 PolarHBondContact O-N 3.5Å; R235-Q237 PolarHBondContact O-N 3.32Å; R235-Q237 VanDerWaalsContact O-N 3.09Å
238K95.7Very high95.7Very high26 Ų2626.6 Ų26.611%0.11314%0.14CC..EExtended strand (participates in β ladder)trans-66.1134.7177.5-55.5172.1-179.9178.50110E211 C230 Q233 E241 E276 E296 R338E211-K238 IonicContact OE1-NZ 3.78Å; E211-K238 IonicContact OE2-NZ 3.33Å; E211-K238 PolarHBondContact OE2-NZ 2.72Å; C230-K238 HydrophobicContact CB-CD 3.71Å; C230-K238 HydrophobicContact CB-CG 4.06Å; Q233-K238 HydrophobicContact CG-CG 4.39Å; K238-E241 WeakPolarHBondContact CB-OE1 3.43Å; K238-E276 IonicContact NZ-OE1 3.83Å; K238-E276 PolarHBondContact NZ-OE1 3.35Å; K238-E296 WeakPolarHBondContact CD-OE1 3.28Å; K238-E296 WeakPolarHBondContact CE-OE1 3.43Å; K238-E296 IonicContact NZ-OE1 3.89Å; K238-E296 PolarHBondContact NZ-OE1 3.17Å; K238-R338 WeakPolarHBondContact O-CD 3.35Å; K238-R338 PolarHBondContact O-NE 3.06Å
239V97.4Very high95.6Very high6 Ų629.6 Ų29.64%0.03616%0.158CC..EExtended strand (participates in β ladder)trans-118.6-41.4-174.5-179.10000111.3M232 R234 R338 L420 Q421 I424 L440M232-V239 WeakPolarHBondContact O-CB 3.36Å; M232-V239 PolarHBondContact O-N 3.15Å; R234-V239 HydrophobicContact CB-CG2 3.94Å; V239-R338 PolarHBondContact O-N 3.46Å; V239-L420 HydrophobicContact CG1-CD2 4.38Å; V239-Q421 PolarHBondContact O-NE2 3.44Å; V239-I424 HydrophobicContact CG1-CD1 3.93Å; V239-L440 HydrophobicContact CB-CD2 4.16Å; V239-L440 HydrophobicContact CG1-CD2 4.39Å; V239-L440 HydrophobicContact CG2-CD2 4Å
240V98.5Very high95.4Very high3 Ų332.9 Ų32.92%0.01818%0.18CC..EExtended strand (participates in β ladder)trans-135136.6175.5177.20000108.5M232 V335 E336 I424 M425 F430M232-V240 HydrophobicContact CB-CB 3.87Å; M232-V240 HydrophobicContact CG-CB 4.41Å; M232-V240 PolarHBondContact O-N 3.11Å; V240-V335 HydrophobicContact CG1-CG1 3.82Å; V240-E336 VanDerWaalsContact CA-O 3.3Å; V240-E336 WeakPolarHBondContact CA-O 3.29Å; V240-E336 WeakPolarHBondContact CG1-O 3.39Å; V240-I424 HydrophobicContact CG2-CD1 4.16Å; V240-I424 HydrophobicContact CG2-CG2 4.08Å; V240-M425 HydrophobicContact CG1-CE 3.79Å; V240-M425 HydrophobicContact CG2-CE 4.02Å; V240-F430 HydrophobicContact CG1-CE2 3.97Å; V240-F430 HydrophobicContact CG1-CZ 3.71Å
241E98.7Very high95.4Very high0 Ų039 Ų390%021%0.209CC..EExtended strand (participates in β ladder)trans-126.8151.2176.3-57.786.1176.300110D229 C230 K238 E296 V335 E336 R338D229-E241 VanDerWaalsContact O-CA 3.3Å; D229-E241 WeakPolarHBondContact O-CA 3.13Å; C230-E241 HydrophobicContact CB-CG 4.23Å; K238-E241 WeakPolarHBondContact CB-OE1 3.43Å; E241-E296 HydrophobicContact CB-CB 3.77Å; E241-E296 HydrophobicContact CB-CG 4.49Å; E241-E296 HydrophobicContact CG-CB 3.56Å; E241-E296 HydrophobicContact CG-CG 4.04Å; E241-V335 CarbonylContact O-C 3.42Å; E241-V335 WeakPolarHBondContact O-CA 3.35Å; E241-E336 PolarHBondContact N-O 2.82Å; E241-E336 PolarHBondContact O-N 3.28Å; E241-R338 IonicContact OE1-CZ 3.51Å; E241-R338 IonicContact OE1-NE 3.55Å; E241-R338 PolarHBondContact OE1-NE 2.85Å; E241-R338 IonicContact OE1-NH2 3.19Å; E241-R338 PolarHBondContact OE1-NH2 3.49Å; E241-R338 IonicContact OE2-NE 2.72Å
242E98.8Very high95.4Very high6 Ų640.7 Ų40.73%0.02822%0.218CC..EExtended strand (participates in β ladder)trans-146.8153.817662.8177.8149.700112.7R228 D229 P246 H333 A334 V335 R395R228-E242 CarbonylContact C-O 3.56Å; R228-E242 VanDerWaalsContact CA-O 3.27Å; R228-E242 WeakPolarHBondContact CA-O 3.16Å; D229-E242 HydrophobicContact CB-CG 3.87Å; D229-E242 PolarHBondContact N-O 2.99Å; D229-E242 PolarHBondContact O-N 3.08Å; E242-P246 WeakPolarHBondContact OE1-CD 3.27Å; E242-P246 VanDerWaalsContact OE1-CG 3.3Å; E242-P246 WeakPolarHBondContact OE1-CG 3.36Å; E242-H333 IonicContact OE2-CD2 2.64Å; E242-H333 IonicContact OE2-CE1 3.83Å; E242-H333 PolarHBondContact OE2-CE1 3.19Å; E242-H333 IonicContact OE2-NE2 2.75Å; E242-H333 PolarHBondContact OE2-NE2 3.29Å; E242-A334 CarbonylContact C-O 3.48Å; E242-A334 WeakPolarHBondContact CA-O 3.23Å; E242-A334 WeakPolarHBondContact CB-O 3.44Å; E242-V335 HydrophobicContact CB-CG2 4.14Å; E242-R395 IonicContact OE1-CZ 3.86Å; E242-R395 IonicContact OE1-NE 3.53Å; E242-R395 PolarHBondContact OE1-NE 3.23Å; E242-R395 IonicContact OE1-NH2 3.34Å; E242-R395 PolarHBondContact OE1-NH2 3.47Å; E242-R395 IonicContact OE2-CZ 3.85Å; E242-R395 IonicContact OE2-NE 2.71Å; E242-R395 PolarHBondContact OE2-NE 3.39Å; E242-R395 IonicContact OE2-NH2 2.77Å; E242-R395 PolarHBondContact OE2-NH2 3.08Å
243A98.8Very high95.5Very high0 Ų042.1 Ų42.10%022%0.223CC..EExtended strand (participates in β ladder)trans-144.1139.3176.900000109.9R228 V299 I303 H333 A334R228-A243 HydrophobicContact CG-CB 4.11Å; A243-V299 HydrophobicContact CB-CB 3.89Å; A243-V299 HydrophobicContact CB-CG2 3.73Å; A243-I303 HydrophobicContact CB-CD1 3.52Å; A243-I303 HydrophobicContact CB-CG1 4.35Å; A243-I303 WeakPolarHBondContact O-CG2 3.39Å; A243-H333 CarbonylContact O-C 3.26Å; A243-H333 WeakPolarHBondContact O-CA 3.27Å; A243-A334 PolarHBondContact N-O 3.44Å; A243-A334 PolarHBondContact O-N 2.89Å
244P98.6Very high95.6Very high23 Ų2348.5 Ų48.515%0.14925%0.246CC..SBendcis-64.8164.8-10.429-35.2000112.6E227 V330 G332 H333E227-P244 VanDerWaalsContact OE1-CB 3.28Å; E227-P244 WeakPolarHBondContact OE1-CB 3.23Å; P244-V330 HydrophobicContact CG-CG1 4.46Å; P244-G332 WeakPolarHBondContact CD-O 3.36Å; P244-H333 PolarHBondContact O-CE1 2.9Å
245A98.1Very high96Very high4 Ų451.4 Ų51.43%0.03326%0.258CS..PPolyproline II helixtrans-72.9132.1177.800000110.7V210 E227 D229 G247 I248V210-A245 HydrophobicContact CG1-CB 4.15Å; V210-A245 HydrophobicContact CG2-CB 4.44Å; E227-A245 HydrophobicContact CG-CB 3.43Å; E227-A245 VanDerWaalsContact CG-CB 3.43Å; E227-A245 PolarHBondContact OE1-N 3.21Å; D229-A245 HydrophobicContact CB-CB 3.72Å; A245-G247 PolarHBondContact O-N 2.74Å; A245-I248 HydrophobicContact CB-CB 4.35Å; A245-I248 HydrophobicContact CB-CG1 3.65Å; A245-I248 PolarHBondContact O-N 2.95Å
246P96.6Very high96.5Very high22 Ų2244 Ų4414%0.14323%0.23CC..THydrogen-bonded Turntrans-55.9135.7179.4-2835.5000112.9R208 E242 I248R208-P246 PolarHBondContact NH1-O 2.85Å; R208-P246 PolarHBondContact NH2-O 3.05Å; E242-P246 WeakPolarHBondContact OE1-CD 3.27Å; E242-P246 VanDerWaalsContact OE1-CG 3.3Å; E242-P246 WeakPolarHBondContact OE1-CG 3.36Å; P246-I248 PolarHBondContact O-N 3.19Å
247G93.6Very high97.1Very high70 Ų7040.5 Ų40.572%0.72221%0.214SC*.THydrogen-bonded Turntrans73.61.6178.100000116A245A245-G247 PolarHBondContact O-N 2.74Å
248I96.8Very high97.5Very high10 Ų1040.2 Ų40.25%0.05121%0.212CC..  trans-86.7110.3169.8-56.4-55.9000109.1E227 A245 P246 L252 R253 F279 F284E227-I248 HydrophobicContact CG-CB 4.28Å; E227-I248 HydrophobicContact CG-CG1 4.25Å; E227-I248 HydrophobicContact CG-CG2 4.14Å; A245-I248 HydrophobicContact CB-CB 4.35Å; A245-I248 HydrophobicContact CB-CG1 3.65Å; A245-I248 PolarHBondContact O-N 2.95Å; P246-I248 PolarHBondContact O-N 3.19Å; I248-L252 HydrophobicContact CD1-CD2 3.97Å; I248-L252 HydrophobicContact CG2-CB 4.38Å; I248-L252 HydrophobicContact CG2-CD2 4.29Å; I248-L252 HydrophobicContact CG2-CG 4.34Å; I248-R253 HydrophobicContact CG2-CB 4.28Å; I248-R253 PolarHBondContact O-NH2 3.02Å; I248-F279 HydrophobicContact CD1-CD1 3.84Å; I248-F279 HydrophobicContact CD1-CD2 4.12Å; I248-F279 HydrophobicContact CD1-CE1 3.45Å; I248-F279 VanDerWaalsContact CD1-CE1 3.45Å; I248-F279 HydrophobicContact CD1-CE2 3.77Å; I248-F279 HydrophobicContact CD1-CG 4.14Å; I248-F279 HydrophobicContact CD1-CZ 3.4Å; I248-F284 HydrophobicContact CD1-CE2 4.28Å; I248-F284 HydrophobicContact CD1-CZ 3.94Å; I248-F284 HydrophobicContact CG2-CZ 4.39Å
249T96.4Very high97.6Very high63 Ų6342.6 Ų42.639%0.38722%0.221SC..  trans-72.5158.9-178.281.80000111.7E251 L252 R253T249-E251 WeakPolarHBondContact CB-OE2 3.41Å; T249-E251 PolarHBondContact O-N 3.07Å; T249-E251 PolarHBondContact OG1-N 3.35Å; T249-E251 PolarHBondContact OG1-OE2 2.66Å; T249-L252 PolarHBondContact O-N 2.95Å; T249-L252 PolarHBondContact OG1-N 2.83Å; T249-R253 WeakPolarHBondContact O-CB 3.25Å; T249-R253 PolarHBondContact O-N 2.89Å
250P96.3Very high97.7Very high76 Ų7642.3 Ų42.349%0.49422%0.219SC..Hα-helixtrans-55.4-34.4173.6-26.236.3000114.1R254P250-R254 VanDerWaalsContact O-CB 3.3Å; P250-R254 WeakPolarHBondContact O-CB 3.18Å; P250-R254 PolarHBondContact O-N 2.95Å
251E97.6Very high97.7Very high129 Ų12942.7 Ų42.760%0.60322%0.222SC*.Hα-helixtrans-68.4-45.3178.3-59.267-140.900110.5T249 R254 Y255T249-E251 WeakPolarHBondContact CB-OE2 3.41Å; T249-E251 PolarHBondContact O-N 3.07Å; T249-E251 PolarHBondContact OG1-N 3.35Å; T249-E251 PolarHBondContact OG1-OE2 2.66Å; E251-R254 PolarHBondContact O-N 3.09Å; E251-Y255 VanDerWaalsContact O-CB 3.3Å; E251-Y255 WeakPolarHBondContact O-CB 3.37Å; E251-Y255 PolarHBondContact O-N 2.81Å
252L97.1Very high97.6Very high35 Ų3547.9 Ų47.918%0.18325%0.245CC..Hα-helixtrans-67.7-42179-174.659.9000111.6I248 T249 R254 Y255 I256 F279 F284I248-L252 HydrophobicContact CD1-CD2 3.97Å; I248-L252 HydrophobicContact CG2-CB 4.38Å; I248-L252 HydrophobicContact CG2-CD2 4.29Å; I248-L252 HydrophobicContact CG2-CG 4.34Å; T249-L252 PolarHBondContact O-N 2.95Å; T249-L252 PolarHBondContact OG1-N 2.83Å; L252-R254 VanDerWaalsContact C-N 3.35Å; L252-R254 PolarHBondContact O-N 3.22Å; L252-Y255 HydrophobicContact CD1-CD1 4.38Å; L252-Y255 WeakPolarHBondContact O-CB 3.4Å; L252-Y255 PolarHBondContact O-N 3.22Å; L252-I256 WeakPolarHBondContact O-CG2 3.48Å; L252-I256 PolarHBondContact O-N 2.95Å; L252-F279 HydrophobicContact CD2-CE2 3.73Å; L252-F279 HydrophobicContact CD2-CZ 3.79Å; L252-F284 HydrophobicContact CD1-CD2 4.08Å; L252-F284 HydrophobicContact CD1-CE2 3.85Å; L252-F284 HydrophobicContact CD2-CE2 3.81Å; L252-F284 HydrophobicContact CG-CD2 4.35Å; L252-F284 HydrophobicContact CG-CE2 3.62Å
253R98Very high97.6Very high34 Ų3447.6 Ų47.613%0.12824%0.244CC..Hα-helixtrans-56-48.1171.2176.8-175.3-61104.318.3111.4Y224 E227 I248 T249 G257Y224-R253 HydrophobicContact CE2-CG 4.2Å; E227-R253 IonicContact OE1-CZ 2.71Å; E227-R253 IonicContact OE1-NE 3.46Å; E227-R253 IonicContact OE1-NH2 3.34Å; E227-R253 PolarHBondContact OE1-NH2 2.87Å; E227-R253 WeakPolarHBondContact OE2-CD 3.48Å; E227-R253 WeakPolarHBondContact OE2-CG 3.39Å; E227-R253 IonicContact OE2-CZ 3.38Å; E227-R253 IonicContact OE2-NE 2.66Å; E227-R253 PolarHBondContact OE2-NE 3.28Å; E227-R253 IonicContact OE2-NH2 3.5Å; E227-R253 PolarHBondContact OE2-NH2 3.33Å; I248-R253 HydrophobicContact CG2-CB 4.28Å; I248-R253 PolarHBondContact O-NH2 3.02Å; T249-R253 WeakPolarHBondContact O-CB 3.25Å; T249-R253 PolarHBondContact O-N 2.89Å; R253-G257 WeakPolarHBondContact O-CA 3.19Å; R253-G257 PolarHBondContact O-N 3.19Å
254R97.9Very high97.6Very high144 Ų14447.7 Ų47.754%0.54324%0.244SC..Hα-helixtrans-62.1-48177.6-175.8-171.3-54.1-123.91.6111P250 E251 L252 I256 G257 E258P250-R254 VanDerWaalsContact O-CB 3.3Å; P250-R254 WeakPolarHBondContact O-CB 3.18Å; P250-R254 PolarHBondContact O-N 2.95Å; E251-R254 PolarHBondContact O-N 3.09Å; L252-R254 VanDerWaalsContact C-N 3.35Å; L252-R254 PolarHBondContact O-N 3.22Å; R254-I256 VanDerWaalsContact C-N 3.34Å; R254-I256 PolarHBondContact O-N 2.71Å; R254-G257 PolarHBondContact O-N 3.34Å; R254-E258 WeakPolarHBondContact CD-OE1 3.33Å; R254-E258 HydrophobicContact CG-CG 4.12Å; R254-E258 WeakPolarHBondContact CG-OE1 3.37Å; R254-E258 WeakPolarHBondContact O-CB 3.36Å; R254-E258 WeakPolarHBondContact O-CG 3.3Å; R254-E258 PolarHBondContact O-N 2.91Å
255Y97.6Very high97.6Very high95 Ų9549.5 Ų49.537%0.37326%0.255SS..Hα-helixtrans-54.4-47.5-178.8169.4-95.1000112.7P129 E251 L252 R259P129-Y255 HydrophobicContact CG-CE1 4.42Å; E251-Y255 VanDerWaalsContact O-CB 3.3Å; E251-Y255 WeakPolarHBondContact O-CB 3.37Å; E251-Y255 PolarHBondContact O-N 2.81Å; L252-Y255 HydrophobicContact CD1-CD1 4.38Å; L252-Y255 WeakPolarHBondContact O-CB 3.4Å; L252-Y255 PolarHBondContact O-N 3.22Å; Y255-R259 VanDerWaalsContact CE2-NH2 3.25Å; Y255-R259 PolarHBondContact O-NH1 3.04Å
256I98.1Very high97.5Very high0 Ų053.5 Ų53.50%028%0.276CS..Hα-helixtrans-81.4-37.7-179.8-164.760.2000112.1P129 I212 L252 R254 R259 C260 F277 F284P129-I256 HydrophobicContact CG-CD1 4.34Å; I212-I256 HydrophobicContact CD1-CG2 3.69Å; I212-I256 HydrophobicContact CG1-CG1 4.3Å; I212-I256 HydrophobicContact CG1-CG2 4.09Å; L252-I256 WeakPolarHBondContact O-CG2 3.48Å; L252-I256 PolarHBondContact O-N 2.95Å; R254-I256 VanDerWaalsContact C-N 3.34Å; R254-I256 PolarHBondContact O-N 2.71Å; I256-R259 PolarHBondContact O-N 2.61Å; I256-C260 PolarHBondContact O-N 2.69Å; I256-C260 PolarHBondContact O-SG 2.91Å; I256-F277 HydrophobicContact CD1-CD1 4.46Å; I256-F277 HydrophobicContact CD1-CE1 3.76Å; I256-F277 HydrophobicContact CD1-CZ 3.78Å; I256-F277 HydrophobicContact CG1-CE1 4.25Å; I256-F277 HydrophobicContact CG1-CE2 4.16Å; I256-F277 HydrophobicContact CG1-CZ 3.92Å; I256-F284 HydrophobicContact CB-CD2 4.35Å; I256-F284 HydrophobicContact CB-CG 4.4Å; I256-F284 HydrophobicContact CD1-CB 3.94Å; I256-F284 HydrophobicContact CD1-CG 4.18Å; I256-F284 HydrophobicContact CG1-CB 4.24Å; I256-F284 HydrophobicContact CG1-CD1 3.96Å; I256-F284 HydrophobicContact CG1-CD2 4.36Å; I256-F284 HydrophobicContact CG1-CE1 4.44Å; I256-F284 HydrophobicContact CG1-CG 3.92Å; I256-F284 HydrophobicContact CG2-CE1 4.27Å; I256-F284 HydrophobicContact CG2-CE2 4.27Å; I256-F284 HydrophobicContact CG2-CZ 4.12Å
257G98.5Very high97.5Very high0 Ų054 Ų540%028%0.277CS..Hα-helixtrans-62.9-45.1-179.300000113.1Y224 R253 R254 R259 C260 A261Y224-G257 VanDerWaalsContact CD1-O 3.26Å; Y224-G257 WeakPolarHBondContact CD1-O 3.27Å; Y224-G257 VanDerWaalsContact CG-CA 3.46Å; R253-G257 WeakPolarHBondContact O-CA 3.19Å; R253-G257 PolarHBondContact O-N 3.19Å; R254-G257 PolarHBondContact O-N 3.34Å; G257-R259 VanDerWaalsContact C-N 3.27Å; G257-R259 PolarHBondContact O-N 3.06Å; G257-C260 PolarHBondContact O-N 3.06Å; G257-C260 VanDerWaalsContact O-N 3.17Å; G257-A261 PolarHBondContact O-N 3.34Å
258E98.2Very high97.6Very high98 Ų9852.1 Ų52.146%0.45826%0.258SS..Hα-helixtrans-61.2-37.1177.2-74.1175.2178.300111.8Y224 R254 K262Y224-E258 HydrophobicContact CE1-CG 4.06Å; R254-E258 WeakPolarHBondContact CD-OE1 3.33Å; R254-E258 HydrophobicContact CG-CG 4.12Å; R254-E258 WeakPolarHBondContact CG-OE1 3.37Å; R254-E258 WeakPolarHBondContact O-CB 3.36Å; R254-E258 WeakPolarHBondContact O-CG 3.3Å; R254-E258 PolarHBondContact O-N 2.91Å; E258-K262 VanDerWaalsContact O-CB 3.24Å; E258-K262 WeakPolarHBondContact O-CB 3.43Å; E258-K262 PolarHBondContact O-N 2.74Å
259R98.3Very high97.6Very high76 Ų7651.7 Ų51.729%0.28726%0.256SS..Hα-helixtrans-68.6-41175-74171171.866.93.5112.2G127 V128 Y255 I256 G257 K262 A263G127-R259 WeakPolarHBondContact O-CD 3.46Å; G127-R259 PolarHBondContact O-NE 2.89Å; V128-R259 HydrophobicContact CG2-CB 4.23Å; Y255-R259 VanDerWaalsContact CE2-NH2 3.25Å; Y255-R259 PolarHBondContact O-NH1 3.04Å; I256-R259 PolarHBondContact O-N 2.61Å; G257-R259 VanDerWaalsContact C-N 3.27Å; G257-R259 PolarHBondContact O-N 3.06Å; R259-K262 PolarHBondContact O-N 3.2Å; R259-A263 VanDerWaalsContact O-CB 3.27Å; R259-A263 WeakPolarHBondContact O-CB 3.43Å; R259-A263 PolarHBondContact O-N 3.21Å
260C98.7Very high97.7Very high0 Ų050.7 Ų50.70%025%0.245CC..Hα-helixtrans-63.3-46.8175.8-65.50000111.3I212 V214 I256 G257 A263 C264 F275I212-C260 HydrophobicContact CG2-CB 4.21Å; V214-C260 HydrophobicContact CG1-CB 3.96Å; I256-C260 PolarHBondContact O-N 2.69Å; I256-C260 PolarHBondContact O-SG 2.91Å; G257-C260 PolarHBondContact O-N 3.06Å; G257-C260 VanDerWaalsContact O-N 3.17Å; C260-A263 PolarHBondContact O-N 3.26Å; C260-C264 PolarHBondContact O-N 3.38Å; C260-F275 HydrophobicContact CB-CD2 3.62Å; C260-F275 HydrophobicContact CB-CE2 3.78Å; C260-F275 HydrophobicContact CB-CG 4.19Å
261A98.4Very high97.8Very high11 Ų1147.1 Ų47.19%0.09122%0.222CC..Hα-helixtrans-62-45.7176.400000111.3A222 Y224 G257 A263 C264 V265A222-A261 HydrophobicContact CB-CB 4.23Å; A222-A261 WeakPolarHBondContact CB-O 3.38Å; Y224-A261 HydrophobicContact CD1-CB 4.37Å; G257-A261 PolarHBondContact O-N 3.34Å; A261-A263 VanDerWaalsContact C-N 3.35Å; A261-A263 PolarHBondContact O-N 3.4Å; A261-C264 WeakPolarHBondContact O-CB 3.33Å; A261-C264 PolarHBondContact O-N 3.18Å; A261-V265 PolarHBondContact O-N 3.21Å; A261-V265 VanDerWaalsContact O-N 3.09Å
262K98.1Very high97.9Very high110 Ų11041 Ų4148%0.47819%0.193SC..Hα-helixtrans-59.3-44.7174.3174.9167.1170.536.60112.1E258 R259 C264 V265 D266E258-K262 VanDerWaalsContact O-CB 3.24Å; E258-K262 WeakPolarHBondContact O-CB 3.43Å; E258-K262 PolarHBondContact O-N 2.74Å; R259-K262 PolarHBondContact O-N 3.2Å; K262-C264 VanDerWaalsContact C-N 3.28Å; K262-C264 PolarHBondContact O-N 3.3Å; K262-V265 WeakPolarHBondContact O-CB 3.4Å; K262-V265 PolarHBondContact O-N 2.73Å; K262-V265 VanDerWaalsContact O-N 3.1Å; K262-D266 IonicContact NZ-OD1 3.87Å; K262-D266 PolarHBondContact NZ-OD1 2.69Å; K262-D266 IonicContact NZ-OD2 2.68Å; K262-D266 PolarHBondContact NZ-OD2 3.21Å; K262-D266 PolarHBondContact O-N 2.62Å
263A98.2Very high97.9Very high0 Ų039.3 Ų39.30%019%0.185CC..Hα-helixtrans-59.9-40.1177.500000111.4M123 A126 V128 R259 C260 A261 V265 D266 I267 F275M123-A263 HydrophobicContact CE-CB 4.15Å; M123-A263 HydrophobicContact SD-CB 4.08Å; A126-A263 HydrophobicContact CB-CB 3.76Å; V128-A263 HydrophobicContact CG2-CB 3.99Å; R259-A263 VanDerWaalsContact O-CB 3.27Å; R259-A263 WeakPolarHBondContact O-CB 3.43Å; R259-A263 PolarHBondContact O-N 3.21Å; C260-A263 PolarHBondContact O-N 3.26Å; A261-A263 VanDerWaalsContact C-N 3.35Å; A261-A263 PolarHBondContact O-N 3.4Å; A263-V265 PolarHBondContact O-N 2.77Å; A263-D266 PolarHBondContact O-N 2.79Å; A263-I267 WeakPolarHBondContact O-CG1 3.11Å; A263-I267 PolarHBondContact O-N 2.79Å; A263-F275 HydrophobicContact CB-CE1 4.38Å; A263-F275 HydrophobicContact CB-CZ 4.13Å
264C98.5Very high98Very high1 Ų137.7 Ų37.71%0.00718%0.179CC..Hα-helixtrans-58.8-43.4172.4-80.30000112.8A216 A222 C260 A261 K262 G268 Y269 F275A216-C264 HydrophobicContact CB-CB 4.03Å; A222-C264 HydrophobicContact CB-CB 3.71Å; C260-C264 PolarHBondContact O-N 3.38Å; A261-C264 WeakPolarHBondContact O-CB 3.33Å; A261-C264 PolarHBondContact O-N 3.18Å; K262-C264 VanDerWaalsContact C-N 3.28Å; K262-C264 PolarHBondContact O-N 3.3Å; C264-G268 PolarHBondContact O-N 3.35Å; C264-Y269 HydrophobicContact CB-CG 4.5Å; C264-Y269 WeakPolarHBondContact O-CB 3.43Å; C264-Y269 PolarHBondContact O-N 3.24Å; C264-F275 VanDerWaalsContact SG-CE2 3.57Å
265V97.7Very high98Very high62 Ų6230.9 Ų30.938%0.37615%0.153SC..Hα-helixtrans-63.2-47.3175.7176.30000110.6A222 A261 K262 A263 I267 G268A222-V265 HydrophobicContact CB-CG2 3.84Å; A261-V265 PolarHBondContact O-N 3.21Å; A261-V265 VanDerWaalsContact O-N 3.09Å; K262-V265 WeakPolarHBondContact O-CB 3.4Å; K262-V265 PolarHBondContact O-N 2.73Å; K262-V265 VanDerWaalsContact O-N 3.1Å; A263-V265 PolarHBondContact O-N 2.77Å; V265-I267 VanDerWaalsContact C-N 3.28Å; V265-I267 PolarHBondContact O-N 2.63Å; V265-G268 PolarHBondContact O-N 2.94Å; V265-G268 VanDerWaalsContact O-N 3.08Å
266D96.6Very high98Very high88 Ų8826.9 Ų26.947%0.47114%0.137SC..Hα-helixtrans-62.5-32.3-176.6-68.9-17.2000112.8K262 A263K262-D266 IonicContact NZ-OD1 3.87Å; K262-D266 PolarHBondContact NZ-OD1 2.69Å; K262-D266 IonicContact NZ-OD2 2.68Å; K262-D266 PolarHBondContact NZ-OD2 3.21Å; K262-D266 PolarHBondContact O-N 2.62Å; A263-D266 PolarHBondContact O-N 2.79Å
267I96Very high98Very high31 Ų3126.9 Ų26.916%0.15914%0.137CC..THydrogen-bonded Turntrans-95.85177.773.7-174000113.7T109 L112 M113 A263 V265 Y269 M289T109-I267 HydrophobicContact CG2-CD1 3.96Å; T109-I267 HydrophobicContact CG2-CG1 4.09Å; L112-I267 HydrophobicContact CD2-CB 4.43Å; L112-I267 HydrophobicContact CD2-CG2 4.22Å; M113-I267 HydrophobicContact CG-CD1 4.16Å; M113-I267 HydrophobicContact SD-CD1 4.08Å; A263-I267 WeakPolarHBondContact O-CG1 3.11Å; A263-I267 PolarHBondContact O-N 2.79Å; V265-I267 VanDerWaalsContact C-N 3.28Å; V265-I267 PolarHBondContact O-N 2.63Å; I267-Y269 VanDerWaalsContact C-N 3.3Å; I267-Y269 HydrophobicContact CD1-CD2 3.9Å; I267-Y269 HydrophobicContact CG1-CD2 4.35Å; I267-Y269 PolarHBondContact O-N 2.79Å; I267-M289 HydrophobicContact CD1-SD 4.31Å
268G96.2Very high97.9Very high32 Ų3227.8 Ų27.833%0.3314%0.142SC..THydrogen-bonded Turntrans60.836.7-178.600000113.6C264 V265C264-G268 PolarHBondContact O-N 3.35Å; V265-G268 PolarHBondContact O-N 2.94Å; V265-G268 VanDerWaalsContact O-N 3.08Å
269Y98.3Very high97.9Very high1 Ų124 Ų240%0.00412%0.124CC..  trans-62.9143.1-176.5-159.5-93.4000111.9P105 T109 A216 G218 C264 I267 A272 G273 M289 T291P105-Y269 HydrophobicContact CB-CD2 4.47Å; P105-Y269 HydrophobicContact CB-CE2 3.96Å; P105-Y269 HydrophobicContact CG-CE1 3.89Å; P105-Y269 HydrophobicContact CG-CE2 3.75Å; P105-Y269 WeakPolarHBondContact CG-OH 3.29Å; T109-Y269 HydrophobicContact CG2-CD2 3.44Å; T109-Y269 VanDerWaalsContact CG2-CD2 3.44Å; T109-Y269 HydrophobicContact CG2-CE2 3.96Å; T109-Y269 HydrophobicContact CG2-CG 4.43Å; A216-Y269 HydrophobicContact CB-CD1 4.15Å; A216-Y269 WeakPolarHBondContact CB-O 3.34Å; G218-Y269 WeakPolarHBondContact CA-O 3.3Å; G218-Y269 PolarHBondContact N-O 3.32Å; G218-Y269 VanDerWaalsContact N-O 3.08Å; C264-Y269 HydrophobicContact CB-CG 4.5Å; C264-Y269 WeakPolarHBondContact O-CB 3.43Å; C264-Y269 PolarHBondContact O-N 3.24Å; I267-Y269 VanDerWaalsContact C-N 3.3Å; I267-Y269 HydrophobicContact CD1-CD2 3.9Å; I267-Y269 HydrophobicContact CG1-CD2 4.35Å; I267-Y269 PolarHBondContact O-N 2.79Å; Y269-A272 PolarHBondContact OH-O 3.16Å; Y269-G273 VanDerWaalsContact OH-CA 3.25Å; Y269-G273 WeakPolarHBondContact OH-CA 3.24Å; Y269-M289 HydrophobicContact CD1-CE 4.07Å; Y269-M289 HydrophobicContact CD2-CE 3.53Å; Y269-M289 HydrophobicContact CD2-SD 4.04Å; Y269-M289 HydrophobicContact CE1-CE 3.77Å; Y269-M289 HydrophobicContact CE2-CE 3.21Å; Y269-M289 HydrophobicContact CE2-SD 3.7Å; Y269-M289 HydrophobicContact CG-CE 3.96Å; Y269-T291 HydrophobicContact CE2-CG2 4.03Å; Y269-T291 WeakPolarHBondContact OH-CA 3.44Å
270R98.3Very high97.7Very high41 Ų4121.8 Ų21.816%0.15512%0.117CC..EExtended strand (participates in β ladder)trans-132.2130.4-180-175.6-173.770.9-165.6-4.5110.6E96 F102 G104 P105 A216 I315E96-R270 IonicContact OE1-CZ 2.62Å; E96-R270 IonicContact OE1-NH1 2.7Å; E96-R270 PolarHBondContact OE1-NH1 3.09Å; E96-R270 IonicContact OE1-NH2 2.87Å; E96-R270 PolarHBondContact OE1-NH2 2.85Å; F102-R270 PolarHBondContact O-NH2 3.37Å; G104-R270 CarbonylContact C-O 3.53Å; G104-R270 VanDerWaalsContact C-O 3.26Å; G104-R270 PolarHBondContact O-NE 2.72Å; G104-R270 PolarHBondContact O-NH2 3.1Å; P105-R270 WeakPolarHBondContact CA-O 3.08Å; P105-R270 WeakPolarHBondContact CG-O 3.3Å; A216-R270 CarbonylContact O-C 3.42Å; A216-R270 WeakPolarHBondContact O-CA 3.15Å; R270-I315 HydrophobicContact CG-CG2 3.61Å
271G98.3Very high97.4Very high2 Ų228.8 Ų28.82%0.02116%0.155CC..EExtended strand (participates in β ladder)trans92-158.6178.700000113.6A216A216-G271 PolarHBondContact N-O 3.24Å; A216-G271 PolarHBondContact O-N 2.82Å
272A98.5Very high97.1Very high0 Ų030 Ų300%017%0.168CC..EExtended strand (participates in β ladder)trans-86138.5176.600000110.8L215 Y269 R292 I293 Q312L215-A272 HydrophobicContact CD2-CB 3.76Å; Y269-A272 PolarHBondContact OH-O 3.16Å; A272-R292 CarbonylContact O-C 3.55Å; A272-I293 HydrophobicContact CB-CD1 4.17Å; A272-Q312 HydrophobicContact CB-CG 3.66Å
273G98.3Very high96.9Very high0 Ų029.2 Ų29.20%017%0.166CC..EExtended strand (participates in β ladder)trans-148167172.400000110.4Q213 V214 Y269 N290Q213-G273 PolarHBondContact NE2-O 2.58Å; V214-G273 WeakPolarHBondContact CG2-O 3.19Å; V214-G273 PolarHBondContact N-O 3.03Å; V214-G273 PolarHBondContact O-N 2.96Å; Y269-G273 VanDerWaalsContact OH-CA 3.25Å; Y269-G273 WeakPolarHBondContact OH-CA 3.24Å; G273-N290 WeakPolarHBondContact CA-O 3.39Å
274T98.7Very high96.9Very high0 Ų029.4 Ų29.40%017%0.167CC..EExtended strand (participates in β ladder)trans-138.4129.5174.5-490000110.5E211 I212 Q213 R228 M289 N290 Q294E211-T274 HydrophobicContact CB-CG2 3.66Å; E211-T274 HydrophobicContact CG-CG2 3.78Å; I212-T274 WeakPolarHBondContact O-CA 3.25Å; I212-T274 VanDerWaalsContact O-CG2 3.24Å; I212-T274 WeakPolarHBondContact O-CG2 3.4Å; Q213-T274 PolarHBondContact OE1-OG1 2.77Å; R228-T274 PolarHBondContact NH2-OG1 3.4Å; T274-M289 CarbonylContact O-C 3.54Å; T274-M289 VanDerWaalsContact O-CA 3.27Å; T274-M289 WeakPolarHBondContact O-CA 3.3Å; T274-N290 PolarHBondContact N-O 2.78Å; T274-N290 PolarHBondContact O-N 3.15Å; T274-Q294 PolarHBondContact OG1-OE1 3.35Å
275F98.5Very high96.8Very high0 Ų031.8 Ų31.80%018%0.176CC..EExtended strand (participates in β ladder)trans-86.9122170.3-67-94.7000109.3M123 E211 I212 V214 C260 A263 C264 F277 F286 M289M123-F275 HydrophobicContact CE-CE1 4.25Å; M123-F275 HydrophobicContact SD-CD1 4.05Å; M123-F275 HydrophobicContact SD-CE1 3.44Å; M123-F275 WeakPolarHBondContact SD-CE1 3.31Å; M123-F275 HydrophobicContact SD-CZ 4.45Å; E211-F275 CarbonylContact C-O 3.58Å; E211-F275 WeakPolarHBondContact CA-O 3.46Å; E211-F275 WeakPolarHBondContact CB-O 3.49Å; I212-F275 PolarHBondContact N-O 2.86Å; I212-F275 PolarHBondContact O-N 3.06Å; V214-F275 HydrophobicContact CB-CE2 4.48Å; V214-F275 HydrophobicContact CG1-CD2 3.95Å; V214-F275 HydrophobicContact CG1-CE2 3.94Å; V214-F275 HydrophobicContact CG2-CD2 4.02Å; V214-F275 HydrophobicContact CG2-CE2 3.79Å; C260-F275 HydrophobicContact CB-CD2 3.62Å; C260-F275 HydrophobicContact CB-CE2 3.78Å; C260-F275 HydrophobicContact CB-CG 4.19Å; A263-F275 HydrophobicContact CB-CE1 4.38Å; A263-F275 HydrophobicContact CB-CZ 4.13Å; C264-F275 VanDerWaalsContact SG-CE2 3.57Å; F275-F277 HydrophobicContact CB-CD2 4.29Å; F275-F277 HydrophobicContact CB-CE2 3.4Å; F275-F277 HydrophobicContact CB-CZ 3.88Å; F275-F277 HydrophobicContact CG-CE2 4.49Å; F275-F277 WeakPolarHBondContact O-CD2 3.46Å; F275-F286 HydrophobicContact CD1-CD2 4.12Å; F275-F286 AromaticContact CD1-CE2 3.75Å; F275-F286 HydrophobicContact CD1-CE2 3.75Å; F275-F286 HydrophobicContact CE1-CE2 4.47Å; F275-M289 HydrophobicContact CD1-CB 4.25Å; F275-M289 HydrophobicContact CD1-CG 4.2Å; F275-M289 HydrophobicContact CD1-SD 4.41Å; F275-M289 HydrophobicContact CD2-CE 4.25Å; F275-M289 HydrophobicContact CE1-CB 4.34Å; F275-M289 HydrophobicContact CE1-CE 4.31Å; F275-M289 HydrophobicContact CE1-CG 4.12Å; F275-M289 HydrophobicContact CE1-SD 3.74Å; F275-M289 HydrophobicContact CE2-CE 3.6Å; F275-M289 HydrophobicContact CE2-SD 4.14Å; F275-M289 HydrophobicContact CG-CG 4.39Å; F275-M289 HydrophobicContact CZ-CE 3.63Å; F275-M289 HydrophobicContact CZ-CG 4.33Å; F275-M289 HydrophobicContact CZ-SD 3.61Å
276E97.5Very high96.7Very high11 Ų1128.8 Ų28.85%0.05116%0.158CC..EExtended strand (participates in β ladder)trans-98.7135.3177-65.8-168.4174.500110.7H209 E211 K238 I287 E288 N290 Q294H209-E276 IonicContact CE1-OE2 2.88Å; H209-E276 PolarHBondContact CE1-OE2 3.13Å; H209-E276 VanDerWaalsContact NE2-CD 3.27Å; H209-E276 IonicContact NE2-OE1 2.76Å; H209-E276 IonicContact NE2-OE2 3.56Å; H209-E276 PolarHBondContact NE2-OE2 3.44Å; E211-E276 HydrophobicContact CB-CB 4.47Å; E211-E276 HydrophobicContact CB-CG 4.01Å; K238-E276 IonicContact NZ-OE1 3.83Å; K238-E276 PolarHBondContact NZ-OE1 3.35Å; E276-I287 PolarHBondContact O-N 2.92Å; E276-E288 HydrophobicContact CB-CG 4.07Å; E276-E288 HydrophobicContact CG-CG 4.36Å; E276-E288 PolarHBondContact N-O 3.15Å; E276-E288 PolarHBondContact O-N 3.01Å; E276-N290 WeakPolarHBondContact CG-ND2 3.49Å; E276-N290 PolarHBondContact OE1-ND2 3.34Å; E276-Q294 PolarHBondContact OE1-NE2 3.47Å
277F98Very high96.5Very high0 Ų025.6 Ų25.60%014%0.141CC..EExtended strand (participates in β ladder)trans-129.8148.7-179.2-59.7-98000111.4V128 V210 I212 I256 F275 F284 Y285 F286V128-F277 HydrophobicContact CG1-CE1 3.64Å; V128-F277 HydrophobicContact CG1-CZ 3.87Å; V210-F277 PolarHBondContact N-O 2.7Å; V210-F277 WeakPolarHBondContact O-CA 3.44Å; V210-F277 VanDerWaalsContact O-CB 3.3Å; V210-F277 WeakPolarHBondContact O-CB 3.32Å; V210-F277 PolarHBondContact O-N 3.15Å; V210-F277 VanDerWaalsContact O-O 3.1Å; I212-F277 HydrophobicContact CB-CE2 4.48Å; I212-F277 HydrophobicContact CG1-CD2 4.19Å; I212-F277 HydrophobicContact CG1-CE2 3.76Å; I256-F277 HydrophobicContact CD1-CD1 4.46Å; I256-F277 HydrophobicContact CD1-CE1 3.76Å; I256-F277 HydrophobicContact CD1-CZ 3.78Å; I256-F277 HydrophobicContact CG1-CE1 4.25Å; I256-F277 HydrophobicContact CG1-CE2 4.16Å; I256-F277 HydrophobicContact CG1-CZ 3.92Å; F275-F277 HydrophobicContact CB-CD2 4.29Å; F275-F277 HydrophobicContact CB-CE2 3.4Å; F275-F277 HydrophobicContact CB-CZ 3.88Å; F275-F277 HydrophobicContact CG-CE2 4.49Å; F275-F277 WeakPolarHBondContact O-CD2 3.46Å; F277-F284 HydrophobicContact CB-CB 4.42Å; F277-F284 HydrophobicContact CB-CD1 3.66Å; F277-F284 HydrophobicContact CB-CE1 4.49Å; F277-F284 HydrophobicContact CD1-CB 3.8Å; F277-F284 HydrophobicContact CD1-CD1 4.07Å; F277-F284 HydrophobicContact CD1-CG 4.43Å; F277-F284 HydrophobicContact CD2-CD1 4.03Å; F277-F284 HydrophobicContact CE1-CB 4.39Å; F277-F284 HydrophobicContact CG-CB 4.26Å; F277-F284 AromaticContact CG-CD1 3.68Å; F277-F284 HydrophobicContact CG-CD1 3.68Å; F277-F284 HydrophobicContact CG-CG 4.46Å; F277-Y285 CarbonylContact C-O 3.57Å; F277-Y285 VanDerWaalsContact CA-O 3.25Å; F277-Y285 WeakPolarHBondContact CA-O 3.48Å; F277-F286 VanDerWaalsContact CD1-CA 3.45Å; F277-F286 HydrophobicContact CD1-CB 4Å; F277-F286 VanDerWaalsContact CD1-N 3.3Å; F277-F286 HydrophobicContact CE1-CB 3.76Å; F277-F286 HydrophobicContact CE1-CD2 4.33Å; F277-F286 HydrophobicContact CZ-CD2 4.42Å
278L96.6Very high96.4Very high20 Ų2026 Ų2611%0.10514%0.142CC..EExtended strand (participates in β ladder)trans-81.2133.6152.9-60.8178.7000107.9L204 P207 R208 F284 Y285 I287L204-L278 HydrophobicContact CB-CD1 4.48Å; L204-L278 HydrophobicContact CD1-CB 3.68Å; L204-L278 HydrophobicContact CD1-CD1 3.81Å; L204-L278 HydrophobicContact CD1-CG 4.39Å; L204-L278 HydrophobicContact CG-CD1 4.36Å; P207-L278 HydrophobicContact CB-CB 3.83Å; P207-L278 HydrophobicContact CB-CD1 4.29Å; P207-L278 HydrophobicContact CB-CD2 3.87Å; P207-L278 HydrophobicContact CB-CG 4.18Å; P207-L278 HydrophobicContact CG-CD1 4.37Å; P207-L278 HydrophobicContact CG-CD2 4.06Å; R208-L278 CarbonylContact O-C 3.5Å; R208-L278 WeakPolarHBondContact O-CA 3.34Å; L278-F284 CarbonylContact O-C 3.55Å; L278-Y285 PolarHBondContact N-O 3.31Å; L278-Y285 PolarHBondContact O-N 3.27Å; L278-I287 HydrophobicContact CB-CD1 4.47Å; L278-I287 HydrophobicContact CD1-CD1 4.47Å; L278-I287 HydrophobicContact CD2-CD1 3.47Å; L278-I287 VanDerWaalsContact CD2-CD1 3.47Å; L278-I287 HydrophobicContact CD2-CG1 4.34Å; L278-I287 HydrophobicContact CG-CD1 3.49Å; L278-I287 VanDerWaalsContact CG-CD1 3.49Å; L278-I287 HydrophobicContact CG-CG1 3.79Å
279F97.3Very high96.3Very high17 Ų1724.6 Ų24.68%0.07513%0.127CC..EExtended strand (participates in β ladder)trans-117.7118.9176-178.8-103.4000110.1R208 V210 I248 L252 E283 F284R208-F279 HydrophobicContact CB-CB 4.27Å; R208-F279 PolarHBondContact N-O 2.93Å; R208-F279 PolarHBondContact O-N 2.87Å; V210-F279 HydrophobicContact CB-CB 4.12Å; V210-F279 HydrophobicContact CG2-CB 3.74Å; V210-F279 HydrophobicContact CG2-CG 4.29Å; I248-F279 HydrophobicContact CD1-CD1 3.84Å; I248-F279 HydrophobicContact CD1-CD2 4.12Å; I248-F279 HydrophobicContact CD1-CE1 3.45Å; I248-F279 VanDerWaalsContact CD1-CE1 3.45Å; I248-F279 HydrophobicContact CD1-CE2 3.77Å; I248-F279 HydrophobicContact CD1-CG 4.14Å; I248-F279 HydrophobicContact CD1-CZ 3.4Å; L252-F279 HydrophobicContact CD2-CE2 3.73Å; L252-F279 HydrophobicContact CD2-CZ 3.79Å; F279-E283 WeakPolarHBondContact CA-O 3.43Å; F279-E283 VanDerWaalsContact CD2-O 3.24Å; F279-E283 WeakPolarHBondContact CD2-O 3.1Å; F279-F284 HydrophobicContact CD2-CD1 4.23Å; F279-F284 AromaticContact CD2-CD2 3.57Å; F279-F284 HydrophobicContact CD2-CD2 3.57Å; F279-F284 HydrophobicContact CD2-CE1 4.15Å; F279-F284 AromaticContact CD2-CE2 3.43Å; F279-F284 HydrophobicContact CD2-CE2 3.43Å; F279-F284 VanDerWaalsContact CD2-CE2 3.43Å; F279-F284 AromaticContact CD2-CG 3.97Å; F279-F284 HydrophobicContact CD2-CG 3.97Å; F279-F284 AromaticContact CD2-CZ 3.76Å; F279-F284 HydrophobicContact CD2-CZ 3.76Å; F279-F284 AromaticContact CE2-CD2 3.76Å; F279-F284 HydrophobicContact CE2-CD2 3.76Å; F279-F284 AromaticContact CE2-CE2 3.44Å; F279-F284 HydrophobicContact CE2-CE2 3.44Å; F279-F284 VanDerWaalsContact CE2-CE2 3.44Å; F279-F284 HydrophobicContact CE2-CZ 4.09Å; F279-F284 HydrophobicContact CG-CZ 4.47Å
280E95.2Very high96.3Very high30 Ų3025 Ų2514%0.1413%0.129CC..EExtended strand (participates in β ladder)trans-147.2135.4179.8-167.5179.5-10600109.9L204 E205 N206 G282 E283L204-E280 HydrophobicContact CD1-CB 4.48Å; E205-E280 PolarHBondContact N-OE1 2.87Å; N206-E280 VanDerWaalsContact CA-OE1 3.26Å; N206-E280 WeakPolarHBondContact CA-OE1 3.42Å; N206-E280 PolarHBondContact N-OE1 3.45Å; E280-G282 VanDerWaalsContact C-N 3.26Å; E280-G282 PolarHBondContact O-N 2.94Å; E280-E283 PolarHBondContact N-O 3.45Å; E280-E283 PolarHBondContact O-N 2.98Å
281N91.7Very high96.2Very high148 Ų14823.1 Ų23.179%0.79112%0.122SC*.THydrogen-bonded Turntrans53.636.1176.3-58.3-38.3000115.1E283N281-E283 VanDerWaalsContact C-N 3.29Å; N281-E283 PolarHBondContact O-N 2.83Å
282G92.3Very high96.2Very high35 Ų3524.9 Ų24.936%0.36113%0.128SC..THydrogen-bonded Turntrans85.9-3.3179.700000114.6E280E280-G282 VanDerWaalsContact C-N 3.26Å; E280-G282 PolarHBondContact O-N 2.94Å
283E94.7Very high96.2Very high95 Ų9524.9 Ų24.944%0.44413%0.128SC..EExtended strand (participates in β ladder)trans-110.2139.8-175.3-64.6-62.2155.500111.8F279 E280 N281 Y285F279-E283 WeakPolarHBondContact CA-O 3.43Å; F279-E283 VanDerWaalsContact CD2-O 3.24Å; F279-E283 WeakPolarHBondContact CD2-O 3.1Å; E280-E283 PolarHBondContact N-O 3.45Å; E280-E283 PolarHBondContact O-N 2.98Å; N281-E283 VanDerWaalsContact C-N 3.29Å; N281-E283 PolarHBondContact O-N 2.83Å; E283-Y285 HydrophobicContact CB-CE2 3.64Å; E283-Y285 WeakPolarHBondContact CB-OH 3.49Å
284F97.5Very high96.2Very high3 Ų325 Ų251%0.01313%0.129CC..EExtended strand (participates in β ladder)trans-94.1140.8172.5-78.3-98.8000110P129 V210 I212 I248 L252 I256 F277 L278 F279P129-F284 WeakPolarHBondContact CB-O 3.16Å; V210-F284 HydrophobicContact CB-CE1 4Å; V210-F284 HydrophobicContact CG1-CE1 3.66Å; V210-F284 HydrophobicContact CG1-CZ 4.08Å; I212-F284 HydrophobicContact CD1-CE1 4.48Å; I248-F284 HydrophobicContact CD1-CE2 4.28Å; I248-F284 HydrophobicContact CD1-CZ 3.94Å; I248-F284 HydrophobicContact CG2-CZ 4.39Å; L252-F284 HydrophobicContact CD1-CD2 4.08Å; L252-F284 HydrophobicContact CD1-CE2 3.85Å; L252-F284 HydrophobicContact CD2-CE2 3.81Å; L252-F284 HydrophobicContact CG-CD2 4.35Å; L252-F284 HydrophobicContact CG-CE2 3.62Å; I256-F284 HydrophobicContact CB-CD2 4.35Å; I256-F284 HydrophobicContact CB-CG 4.4Å; I256-F284 HydrophobicContact CD1-CB 3.94Å; I256-F284 HydrophobicContact CD1-CG 4.18Å; I256-F284 HydrophobicContact CG1-CB 4.24Å; I256-F284 HydrophobicContact CG1-CD1 3.96Å; I256-F284 HydrophobicContact CG1-CD2 4.36Å; I256-F284 HydrophobicContact CG1-CE1 4.44Å; I256-F284 HydrophobicContact CG1-CG 3.92Å; I256-F284 HydrophobicContact CG2-CE1 4.27Å; I256-F284 HydrophobicContact CG2-CE2 4.27Å; I256-F284 HydrophobicContact CG2-CZ 4.12Å; F277-F284 HydrophobicContact CB-CB 4.42Å; F277-F284 HydrophobicContact CB-CD1 3.66Å; F277-F284 HydrophobicContact CB-CE1 4.49Å; F277-F284 HydrophobicContact CD1-CB 3.8Å; F277-F284 HydrophobicContact CD1-CD1 4.07Å; F277-F284 HydrophobicContact CD1-CG 4.43Å; F277-F284 HydrophobicContact CD2-CD1 4.03Å; F277-F284 HydrophobicContact CE1-CB 4.39Å; F277-F284 HydrophobicContact CG-CB 4.26Å; F277-F284 AromaticContact CG-CD1 3.68Å; F277-F284 HydrophobicContact CG-CD1 3.68Å; F277-F284 HydrophobicContact CG-CG 4.46Å; L278-F284 CarbonylContact O-C 3.55Å; F279-F284 HydrophobicContact CD2-CD1 4.23Å; F279-F284 AromaticContact CD2-CD2 3.57Å; F279-F284 HydrophobicContact CD2-CD2 3.57Å; F279-F284 HydrophobicContact CD2-CE1 4.15Å; F279-F284 AromaticContact CD2-CE2 3.43Å; F279-F284 HydrophobicContact CD2-CE2 3.43Å; F279-F284 VanDerWaalsContact CD2-CE2 3.43Å; F279-F284 AromaticContact CD2-CG 3.97Å; F279-F284 HydrophobicContact CD2-CG 3.97Å; F279-F284 AromaticContact CD2-CZ 3.76Å; F279-F284 HydrophobicContact CD2-CZ 3.76Å; F279-F284 AromaticContact CE2-CD2 3.76Å; F279-F284 HydrophobicContact CE2-CD2 3.76Å; F279-F284 AromaticContact CE2-CE2 3.44Å; F279-F284 HydrophobicContact CE2-CE2 3.44Å; F279-F284 VanDerWaalsContact CE2-CE2 3.44Å; F279-F284 HydrophobicContact CE2-CZ 4.09Å; F279-F284 HydrophobicContact CG-CZ 4.47Å
285Y96.2Very high96.2Very high51 Ų5125.6 Ų25.620%0.213%0.132CC..EExtended strand (participates in β ladder)trans-134.7109.2175.3-54.8-85.8000110.6V131 L204 F277 L278 E283 I287V131-Y285 HydrophobicContact CG2-CG 4.45Å; L204-Y285 HydrophobicContact CD1-CD2 3.49Å; L204-Y285 VanDerWaalsContact CD1-CD2 3.49Å; L204-Y285 HydrophobicContact CD1-CE2 3.91Å; L204-Y285 HydrophobicContact CD1-CG 4.05Å; L204-Y285 HydrophobicContact CD2-CE2 4.43Å; F277-Y285 CarbonylContact C-O 3.57Å; F277-Y285 VanDerWaalsContact CA-O 3.25Å; F277-Y285 WeakPolarHBondContact CA-O 3.48Å; L278-Y285 PolarHBondContact N-O 3.31Å; L278-Y285 PolarHBondContact O-N 3.27Å; E283-Y285 HydrophobicContact CB-CE2 3.64Å; E283-Y285 WeakPolarHBondContact CB-OH 3.49Å; Y285-I287 PolarHBondContact O-N 3.26Å
286F96.7Very high96.2Very high0 Ų025.8 Ų25.80%013%0.133CC..EExtended strand (participates in β ladder)trans-58.4133.7-177.5173.5-99.1000111.2M113 A119 I120 M123 V128 P129 F275 F277 E288 M289M113-F286 HydrophobicContact CE-CE2 4.49Å; M113-F286 HydrophobicContact CE-CZ 3.86Å; A119-F286 HydrophobicContact CB-CE1 4.19Å; A119-F286 HydrophobicContact CB-CZ 4.35Å; I120-F286 HydrophobicContact CG1-CD1 4.37Å; I120-F286 HydrophobicContact CG1-CE1 4.41Å; M123-F286 HydrophobicContact CB-CD1 4.02Å; M123-F286 HydrophobicContact CB-CE1 4.18Å; M123-F286 HydrophobicContact CB-CG 4.31Å; M123-F286 HydrophobicContact CG-CD1 3.75Å; M123-F286 HydrophobicContact CG-CD2 4.02Å; M123-F286 HydrophobicContact CG-CE1 3.52Å; M123-F286 HydrophobicContact CG-CE2 3.78Å; M123-F286 HydrophobicContact CG-CG 3.98Å; M123-F286 HydrophobicContact CG-CZ 3.52Å; M123-F286 HydrophobicContact SD-CE2 4.38Å; V128-F286 HydrophobicContact CG1-CB 4.06Å; V128-F286 HydrophobicContact CG1-CG 4.48Å; P129-F286 VanDerWaalsContact O-CB 3.22Å; P129-F286 WeakPolarHBondContact O-CB 3.39Å; P129-F286 PolarHBondContact O-N 3.35Å; F275-F286 HydrophobicContact CD1-CD2 4.12Å; F275-F286 AromaticContact CD1-CE2 3.75Å; F275-F286 HydrophobicContact CD1-CE2 3.75Å; F275-F286 HydrophobicContact CE1-CE2 4.47Å; F277-F286 VanDerWaalsContact CD1-CA 3.45Å; F277-F286 HydrophobicContact CD1-CB 4Å; F277-F286 VanDerWaalsContact CD1-N 3.3Å; F277-F286 HydrophobicContact CE1-CB 3.76Å; F277-F286 HydrophobicContact CE1-CD2 4.33Å; F277-F286 HydrophobicContact CZ-CD2 4.42Å; F286-E288 WeakPolarHBondContact CE2-O 3.07Å; F286-M289 HydrophobicContact CE2-CB 4.22Å; F286-M289 HydrophobicContact CZ-CB 4.35Å
287I91.7Very high96.2Very high20 Ų2025.2 Ų25.210%0.10313%0.131CC..EExtended strand (participates in β ladder)trans-108.3-53.3174.1-47.9171.7000109.2E276 L278 Y285E276-I287 PolarHBondContact O-N 2.92Å; L278-I287 HydrophobicContact CB-CD1 4.47Å; L278-I287 HydrophobicContact CD1-CD1 4.47Å; L278-I287 HydrophobicContact CD2-CD1 3.47Å; L278-I287 VanDerWaalsContact CD2-CD1 3.47Å; L278-I287 HydrophobicContact CD2-CG1 4.34Å; L278-I287 HydrophobicContact CG-CD1 3.49Å; L278-I287 VanDerWaalsContact CG-CD1 3.49Å; L278-I287 HydrophobicContact CG-CG1 3.79Å; Y285-I287 PolarHBondContact O-N 3.26Å
288E93.6Very high96.3Very high40 Ų4025.2 Ų25.219%0.18713%0.131CC..EExtended strand (participates in β ladder)trans-163.4167.6-173.471.3-177.4109.300113.2K116 E276 F286K116-E288 HydrophobicContact CD-CB 4.31Å; K116-E288 IonicContact NZ-OE1 2.83Å; K116-E288 PolarHBondContact NZ-OE1 3.49Å; K116-E288 IonicContact NZ-OE2 2.67Å; K116-E288 PolarHBondContact NZ-OE2 3.11Å; E276-E288 HydrophobicContact CB-CG 4.07Å; E276-E288 HydrophobicContact CG-CG 4.36Å; E276-E288 PolarHBondContact N-O 3.15Å; E276-E288 PolarHBondContact O-N 3.01Å; F286-E288 WeakPolarHBondContact CE2-O 3.07Å
289M95.4Very high96.4Very high3 Ų324.3 Ų24.32%0.01513%0.126CC..EExtended strand (participates in β ladder)trans-119.7118.9168.8-174-173.5-171.500108.8M113 V214 I267 Y269 T274 F275 F286 T291M113-M289 HydrophobicContact CB-CB 4.34Å; M113-M289 HydrophobicContact CE-CB 3.43Å; M113-M289 VanDerWaalsContact CE-CB 3.43Å; M113-M289 HydrophobicContact CE-CG 4.31Å; M113-M289 HydrophobicContact CE-SD 3.96Å; M113-M289 HydrophobicContact CG-SD 4Å; V214-M289 HydrophobicContact CG2-CE 4.07Å; I267-M289 HydrophobicContact CD1-SD 4.31Å; Y269-M289 HydrophobicContact CD1-CE 4.07Å; Y269-M289 HydrophobicContact CD2-CE 3.53Å; Y269-M289 HydrophobicContact CD2-SD 4.04Å; Y269-M289 HydrophobicContact CE1-CE 3.77Å; Y269-M289 HydrophobicContact CE2-CE 3.21Å; Y269-M289 HydrophobicContact CE2-SD 3.7Å; Y269-M289 HydrophobicContact CG-CE 3.96Å; T274-M289 CarbonylContact O-C 3.54Å; T274-M289 VanDerWaalsContact O-CA 3.27Å; T274-M289 WeakPolarHBondContact O-CA 3.3Å; F275-M289 HydrophobicContact CD1-CB 4.25Å; F275-M289 HydrophobicContact CD1-CG 4.2Å; F275-M289 HydrophobicContact CD1-SD 4.41Å; F275-M289 HydrophobicContact CD2-CE 4.25Å; F275-M289 HydrophobicContact CE1-CB 4.34Å; F275-M289 HydrophobicContact CE1-CE 4.31Å; F275-M289 HydrophobicContact CE1-CG 4.12Å; F275-M289 HydrophobicContact CE1-SD 3.74Å; F275-M289 HydrophobicContact CE2-CE 3.6Å; F275-M289 HydrophobicContact CE2-SD 4.14Å; F275-M289 HydrophobicContact CG-CG 4.39Å; F275-M289 HydrophobicContact CZ-CE 3.63Å; F275-M289 HydrophobicContact CZ-CG 4.33Å; F275-M289 HydrophobicContact CZ-SD 3.61Å; F286-M289 HydrophobicContact CE2-CB 4.22Å; F286-M289 HydrophobicContact CZ-CB 4.35Å; M289-T291 PolarHBondContact O-N 3.11Å
290N96.5Very high96.5Very high9 Ų923.5 Ų23.55%0.04812%0.122CC..EExtended strand (participates in β ladder)trans-76.8119.4172.1-72.7-108.4000108.2E87 G273 T274 E276 R292 Q294E87-N290 VanDerWaalsContact OE1-CA 3.23Å; E87-N290 WeakPolarHBondContact OE1-CA 3.08Å; G273-N290 WeakPolarHBondContact CA-O 3.39Å; T274-N290 PolarHBondContact N-O 2.78Å; T274-N290 PolarHBondContact O-N 3.15Å; E276-N290 WeakPolarHBondContact CG-ND2 3.49Å; E276-N290 PolarHBondContact OE1-ND2 3.34Å; N290-R292 PolarHBondContact O-N 3.33Å; N290-R292 PolarHBondContact OD1-NH2 3.17Å; N290-Q294 HydrophobicContact CB-CG 4.08Å; N290-Q294 PolarHBondContact ND2-NE2 3.36Å; N290-Q294 PolarHBondContact OD1-NE2 3.35Å
291T97.5Very high96.6Very high2 Ų222.7 Ų22.71%0.01212%0.118CC..SBendtrans-89.842-169.854.20000113.9E87 P105 M113 Y269 M289E87-T291 PolarHBondContact OE1-N 3.42Å; P105-T291 VanDerWaalsContact CD-O 3.3Å; P105-T291 WeakPolarHBondContact CD-O 3.16Å; P105-T291 WeakPolarHBondContact CG-O 2.98Å; M113-T291 HydrophobicContact CB-CG2 3.68Å; M113-T291 HydrophobicContact CG-CG2 4.33Å; Y269-T291 HydrophobicContact CE2-CG2 4.03Å; Y269-T291 WeakPolarHBondContact OH-CA 3.44Å; M289-T291 PolarHBondContact O-N 3.11Å
292R97.8Very high97Very high39 Ų3918 Ų1815%0.1479%0.092CC..SBendtrans-164.3175.5-170.854.4162.3166.171.717.5111.1S86 E87 A272 N290S86-R292 VanDerWaalsContact OG-CD 3.24Å; S86-R292 WeakPolarHBondContact OG-CD 3.42Å; E87-R292 HydrophobicContact CG-CB 4.16Å; E87-R292 HydrophobicContact CG-CG 3.57Å; E87-R292 IonicContact OE1-NE 3.99Å; E87-R292 IonicContact OE2-CZ 3.08Å; E87-R292 IonicContact OE2-NE 2.66Å; E87-R292 PolarHBondContact OE2-NE 2.79Å; E87-R292 IonicContact OE2-NH2 3.31Å; E87-R292 PolarHBondContact OE2-NH2 3.08Å; A272-R292 CarbonylContact O-C 3.55Å; N290-R292 PolarHBondContact O-N 3.33Å; N290-R292 PolarHBondContact OD1-NH2 3.17Å
293I98.4Very high97.3Very high0 Ų016.5 Ų16.50%08%0.076CC..  trans-62.5148.5161-161.964.5000110.3I13 Y82 A272 H297 L308 I309I13-I293 HydrophobicContact CD1-CG2 4.3Å; Y82-I293 VanDerWaalsContact CB-O 3.3Å; Y82-I293 WeakPolarHBondContact CB-O 3.49Å; Y82-I293 HydrophobicContact CD1-CG2 4.23Å; A272-I293 HydrophobicContact CB-CD1 4.17Å; I293-H297 HydrophobicContact CD1-CB 3.44Å; I293-H297 VanDerWaalsContact CD1-CB 3.44Å; I293-H297 HydrophobicContact CG1-CB 3.79Å; I293-L308 HydrophobicContact CD1-CB 3.88Å; I293-L308 HydrophobicContact CD1-CD1 4.05Å; I293-I309 HydrophobicContact CD1-CD1 4.41Å; I293-I309 HydrophobicContact CG1-CD1 3.95Å
294Q98.1Very high97.4Very high3 Ų313 Ų131%0.0146%0.061CC..  trans-108.1168.9175-67.5-169.8-67.900111.3E211 T274 E276 N290 E296 H297E211-Q294 PolarHBondContact OE1-OE1 2.94Å; E211-Q294 VanDerWaalsContact OE1-OE1 3.06Å; T274-Q294 PolarHBondContact OG1-OE1 3.35Å; E276-Q294 PolarHBondContact OE1-NE2 3.47Å; N290-Q294 HydrophobicContact CB-CG 4.08Å; N290-Q294 PolarHBondContact ND2-NE2 3.36Å; N290-Q294 PolarHBondContact OD1-NE2 3.35Å; Q294-E296 VanDerWaalsContact C-N 3.32Å; Q294-E296 HydrophobicContact CB-CG 4.31Å; Q294-H297 WeakPolarHBondContact O-CB 3.5Å; Q294-H297 PolarHBondContact O-N 3.02Å; Q294-H297 PolarHBondContact O-ND1 2.86Å
295V98.5Very high97.5Very high12 Ų1216.1 Ų16.17%0.0739%0.094CC..THydrogen-bonded Turntrans-64.1-45.8-175.1178.60000109.7Y82 H297 P298 M384 K387Y82-V295 HydrophobicContact CD1-CG2 4.14Å; Y82-V295 HydrophobicContact CD2-CG2 3.99Å; Y82-V295 HydrophobicContact CE1-CB 4.27Å; Y82-V295 HydrophobicContact CE1-CG2 3.92Å; Y82-V295 HydrophobicContact CE2-CG2 3.82Å; Y82-V295 HydrophobicContact CG-CG2 4.2Å; V295-H297 PolarHBondContact O-N 2.78Å; V295-H297 PolarHBondContact O-ND1 3.42Å; V295-P298 WeakPolarHBondContact O-CD 3.44Å; V295-M384 HydrophobicContact CG1-CE 3.83Å; V295-M384 HydrophobicContact CG1-SD 3.68Å; V295-M384 HydrophobicContact CG2-CE 4.45Å; V295-K387 HydrophobicContact CG1-CD 3.56Å; V295-K387 HydrophobicContact CG1-CG 4.26Å; V295-K387 WeakPolarHBondContact O-CD 3.41Å; V295-K387 PolarHBondContact O-NZ 3.36Å
296E98.4Very high97.6Very high3 Ų314.2 Ų14.21%0.0149%0.088CC..THydrogen-bonded Turntrans-76.913-179.460.7-91.5-137.200114.4E211 R228 K238 E241 Q294 V299 E336 R338E211-E296 WeakPolarHBondContact OE1-CG 3.35Å; E211-E296 VanDerWaalsContact OE1-OE1 3.12Å; R228-E296 VanDerWaalsContact CD-O 3.26Å; R228-E296 WeakPolarHBondContact CD-O 3.49Å; R228-E296 VanDerWaalsContact NE-CG 3.34Å; K238-E296 WeakPolarHBondContact CD-OE1 3.28Å; K238-E296 WeakPolarHBondContact CE-OE1 3.43Å; K238-E296 IonicContact NZ-OE1 3.89Å; K238-E296 PolarHBondContact NZ-OE1 3.17Å; E241-E296 HydrophobicContact CB-CB 3.77Å; E241-E296 HydrophobicContact CB-CG 4.49Å; E241-E296 HydrophobicContact CG-CB 3.56Å; E241-E296 HydrophobicContact CG-CG 4.04Å; Q294-E296 VanDerWaalsContact C-N 3.32Å; Q294-E296 HydrophobicContact CB-CG 4.31Å; E296-V299 WeakPolarHBondContact O-CG2 3.36Å; E296-V299 PolarHBondContact O-N 2.93Å; E296-E336 WeakPolarHBondContact CA-OE1 3.3Å; E296-R338 IonicContact OE1-NH2 3.09Å; E296-R338 IonicContact OE2-CZ 2.79Å; E296-R338 IonicContact OE2-NH2 3.18Å; E296-R338 PolarHBondContact OE2-NH2 2.89Å
297H98.7Very high97.7Very high0 Ų015.9 Ų15.90%010%0.097CC..Hα-helixtrans-54.8-32.3171.676.1-88.1000114.3I293 Q294 V295 V299 T300 E301 L308 K387I293-H297 HydrophobicContact CD1-CB 3.44Å; I293-H297 VanDerWaalsContact CD1-CB 3.44Å; I293-H297 HydrophobicContact CG1-CB 3.79Å; Q294-H297 WeakPolarHBondContact O-CB 3.5Å; Q294-H297 PolarHBondContact O-N 3.02Å; Q294-H297 PolarHBondContact O-ND1 2.86Å; V295-H297 PolarHBondContact O-N 2.78Å; V295-H297 PolarHBondContact O-ND1 3.42Å; H297-V299 VanDerWaalsContact C-N 3.33Å; H297-V299 PolarHBondContact O-N 3.18Å; H297-T300 WeakPolarHBondContact O-CB 3.43Å; H297-T300 PolarHBondContact O-N 2.9Å; H297-T300 VanDerWaalsContact O-N 3.12Å; H297-E301 IonicContact CD2-OE1 3.87Å; H297-E301 IonicContact CD2-OE2 2.79Å; H297-E301 WeakPolarHBondContact O-CG 3.41Å; H297-E301 PolarHBondContact O-N 3.42Å; H297-E301 VanDerWaalsContact O-N 3.08Å; H297-L308 HydrophobicContact CB-CD1 3.73Å; H297-K387 PolarHBondContact CE1-NZ 3.04Å
298P98.9Very high98Very high0 Ų015 Ų150%09%0.092CC..Hα-helixtrans-60.1-35.5-179.4-27.637.8000114.1V295 T300 E301 M302 E336 E368 K387 I389V295-P298 WeakPolarHBondContact O-CD 3.44Å; P298-T300 PolarHBondContact O-N 3.39Å; P298-E301 PolarHBondContact O-N 3.26Å; P298-E301 VanDerWaalsContact O-N 3.14Å; P298-M302 WeakPolarHBondContact O-CB 3.11Å; P298-M302 VanDerWaalsContact O-CG 3.22Å; P298-M302 WeakPolarHBondContact O-CG 3.34Å; P298-M302 PolarHBondContact O-N 3.47Å; P298-E336 VanDerWaalsContact CD-OE2 3.3Å; P298-E336 WeakPolarHBondContact CD-OE2 3.36Å; P298-E336 WeakPolarHBondContact CG-OE2 3.39Å; P298-E368 WeakPolarHBondContact CG-OE2 3.26Å; P298-K387 VanDerWaalsContact CG-NZ 3.32Å; P298-I389 HydrophobicContact CB-CD1 3.79Å; P298-I389 HydrophobicContact CB-CG1 3.82Å; P298-I389 HydrophobicContact CB-CG2 4.42Å; P298-I389 HydrophobicContact CG-CD1 4.05Å; P298-I389 HydrophobicContact CG-CG1 4.42Å
299V98.9Very high98.2Very high0 Ų013 Ų130%08%0.083CC..Hα-helixtrans-63.1-35.9178.5-63.60000111.1R228 A243 E296 H297 M302 I303 A334 E336 I389R228-V299 HydrophobicContact CG-CG2 3.8Å; A243-V299 HydrophobicContact CB-CB 3.89Å; A243-V299 HydrophobicContact CB-CG2 3.73Å; E296-V299 WeakPolarHBondContact O-CG2 3.36Å; E296-V299 PolarHBondContact O-N 2.93Å; H297-V299 VanDerWaalsContact C-N 3.33Å; H297-V299 PolarHBondContact O-N 3.18Å; V299-M302 PolarHBondContact O-N 3.34Å; V299-I303 WeakPolarHBondContact O-CG1 3.46Å; V299-I303 PolarHBondContact O-N 2.84Å; V299-A334 HydrophobicContact CB-CB 3.88Å; V299-A334 HydrophobicContact CG1-CB 4.02Å; V299-E336 HydrophobicContact CG1-CB 3.49Å; V299-E336 VanDerWaalsContact CG1-CB 3.49Å; V299-I389 HydrophobicContact CG1-CG2 4.18Å
300T98.9Very high98.4Very high0 Ų014.8 Ų14.80%09%0.091CC..Hα-helixtrans-65.6-46.4172-61.40000111.5Q213 L225 R228 H297 P298 M302 I303 T304 L308Q213-T300 HydrophobicContact CB-CG2 4.07Å; Q213-T300 HydrophobicContact CG-CG2 3.92Å; L225-T300 HydrophobicContact CB-CG2 3.57Å; L225-T300 HydrophobicContact CD1-CG2 4.46Å; L225-T300 VanDerWaalsContact O-CG2 3.28Å; L225-T300 WeakPolarHBondContact O-CG2 3.22Å; R228-T300 WeakPolarHBondContact CD-OG1 3.31Å; R228-T300 PolarHBondContact NH1-OG1 2.8Å; H297-T300 WeakPolarHBondContact O-CB 3.43Å; H297-T300 PolarHBondContact O-N 2.9Å; H297-T300 VanDerWaalsContact O-N 3.12Å; P298-T300 PolarHBondContact O-N 3.39Å; T300-M302 VanDerWaalsContact C-N 3.28Å; T300-M302 PolarHBondContact O-N 3.25Å; T300-I303 WeakPolarHBondContact O-CG1 3.36Å; T300-I303 PolarHBondContact O-N 3.2Å; T300-T304 HydrophobicContact CG2-CG2 4.27Å; T300-T304 WeakPolarHBondContact O-CB 3.3Å; T300-T304 WeakPolarHBondContact O-CG2 3.34Å; T300-T304 PolarHBondContact O-N 2.88Å; T300-T304 PolarHBondContact O-OG1 2.96Å; T300-L308 HydrophobicContact CG2-CD1 4.21Å
301E98.8Very high98.5Very high13 Ų1314.6 Ų14.66%0.0619%0.089CC..Hα-helixtrans-60.1-40.1177.6-58.3-171.4146.500111.4R16 H297 P298 I303 G305 V306 L308 R366R16-E301 IonicContact CZ-OE1 2.79Å; R16-E301 IonicContact NE-OE2 3.17Å; R16-E301 IonicContact NH2-OE1 3.85Å; R16-E301 PolarHBondContact NH2-OE1 2.85Å; R16-E301 IonicContact NH2-OE2 3.21Å; R16-E301 PolarHBondContact NH2-OE2 3.17Å; H297-E301 IonicContact CD2-OE1 3.87Å; H297-E301 IonicContact CD2-OE2 2.79Å; H297-E301 WeakPolarHBondContact O-CG 3.41Å; H297-E301 PolarHBondContact O-N 3.42Å; H297-E301 VanDerWaalsContact O-N 3.08Å; P298-E301 PolarHBondContact O-N 3.26Å; P298-E301 VanDerWaalsContact O-N 3.14Å; E301-I303 PolarHBondContact O-N 3.3Å; E301-G305 VanDerWaalsContact O-CA 3.27Å; E301-G305 WeakPolarHBondContact O-CA 3.26Å; E301-G305 PolarHBondContact O-N 3.28Å; E301-V306 WeakPolarHBondContact CB-O 3.21Å; E301-V306 VanDerWaalsContact CG-O 3.29Å; E301-V306 WeakPolarHBondContact CG-O 3.34Å; E301-L308 HydrophobicContact CG-CB 4.31Å; E301-L308 HydrophobicContact CG-CD1 3.96Å; E301-L308 HydrophobicContact CG-CG 4.05Å; E301-L308 PolarHBondContact OE1-N 2.88Å; E301-R366 IonicContact OE2-CZ 3.97Å; E301-R366 IonicContact OE2-NH1 3.94Å; E301-R366 PolarHBondContact OE2-NH1 2.82Å; E301-R366 IonicContact OE2-NH2 3.2Å; E301-R366 PolarHBondContact OE2-NH2 2.78Å
302M98.7Very high98.5Very high50 Ų5014.8 Ų14.825%0.2469%0.09CC..Hα-helixtrans-65.8-38.5-179-70-57.7-69.800112.8P298 V299 T300 A334 R366 I389 Y391P298-M302 WeakPolarHBondContact O-CB 3.11Å; P298-M302 VanDerWaalsContact O-CG 3.22Å; P298-M302 WeakPolarHBondContact O-CG 3.34Å; P298-M302 PolarHBondContact O-N 3.47Å; V299-M302 PolarHBondContact O-N 3.34Å; T300-M302 VanDerWaalsContact C-N 3.28Å; T300-M302 PolarHBondContact O-N 3.25Å; M302-A334 HydrophobicContact CB-CB 3.76Å; M302-A334 HydrophobicContact CG-CB 4.44Å; M302-R366 HydrophobicContact SD-CB 4.42Å; M302-I389 HydrophobicContact CG-CG2 3.82Å; M302-Y391 HydrophobicContact CB-CD2 4.18Å; M302-Y391 HydrophobicContact CE-CG 4.06Å
303I98.7Very high98.6Very high4 Ų412.9 Ų12.92%0.0218%0.083CC..Hα-helixtrans-86.8-20.8-178.267.2171.6000114A226 A243 V299 T300 E301 V330 R331 A334 Y391A226-I303 HydrophobicContact CB-CD1 4.15Å; A243-I303 HydrophobicContact CB-CD1 3.52Å; A243-I303 HydrophobicContact CB-CG1 4.35Å; A243-I303 WeakPolarHBondContact O-CG2 3.39Å; V299-I303 WeakPolarHBondContact O-CG1 3.46Å; V299-I303 PolarHBondContact O-N 2.84Å; T300-I303 WeakPolarHBondContact O-CG1 3.36Å; T300-I303 PolarHBondContact O-N 3.2Å; E301-I303 PolarHBondContact O-N 3.3Å; I303-V330 HydrophobicContact CB-CG1 4.44Å; I303-V330 HydrophobicContact CD1-CG1 3.96Å; I303-V330 HydrophobicContact CG1-CG1 4.48Å; I303-R331 PolarHBondContact O-N 3.09Å; I303-A334 HydrophobicContact CG2-CB 3.85Å; I303-Y391 HydrophobicContact CG2-CE2 4.41Å
304T98.6Very high98.6Very high20 Ų2016.2 Ų16.212%0.12310%0.095CC..Hα-helixtrans-106-23.6-177.862.10000113.4L225 T300 V306 V328L225-T304 HydrophobicContact CB-CG2 4.31Å; L225-T304 HydrophobicContact CD2-CG2 4.26Å; T300-T304 HydrophobicContact CG2-CG2 4.27Å; T300-T304 WeakPolarHBondContact O-CB 3.3Å; T300-T304 WeakPolarHBondContact O-CG2 3.34Å; T300-T304 PolarHBondContact O-N 2.88Å; T300-T304 PolarHBondContact O-OG1 2.96Å; T304-V306 PolarHBondContact O-N 3.06Å; T304-V306 PolarHBondContact OG1-N 3.41Å; T304-V328 HydrophobicContact CG2-CG1 4.24Å
305G97.9Very high98.6Very high69 Ų6916.2 Ų16.271%0.71110%0.096SC*.  trans72.94.3-170.100000114.3E301E301-G305 VanDerWaalsContact O-CA 3.27Å; E301-G305 WeakPolarHBondContact O-CA 3.26Å; E301-G305 PolarHBondContact O-N 3.28Å
306V98.5Very high98.6Very high12 Ų1216.2 Ų16.27%0.07310%0.097CC..  trans-85.7124.3-179.71800000109.7L215 L225 E301 T304 L308 E311 I323L215-V306 HydrophobicContact CD1-CG1 4.27Å; L225-V306 HydrophobicContact CD1-CG1 4.34Å; L225-V306 HydrophobicContact CD2-CB 4.17Å; L225-V306 HydrophobicContact CD2-CG1 4.38Å; L225-V306 HydrophobicContact CD2-CG2 3.83Å; E301-V306 WeakPolarHBondContact CB-O 3.21Å; E301-V306 VanDerWaalsContact CG-O 3.29Å; E301-V306 WeakPolarHBondContact CG-O 3.34Å; T304-V306 PolarHBondContact O-N 3.06Å; T304-V306 PolarHBondContact OG1-N 3.41Å; V306-L308 PolarHBondContact O-N 3.12Å; V306-E311 HydrophobicContact CG1-CG 4Å; V306-I323 HydrophobicContact CG2-CD1 3.84Å
307D98.4Very high98.6Very high35 Ų3517.6 Ų17.619%0.18711%0.108CC..  trans-82.397.8174.9-174.5-34.6000109.8R16 I309 K310 E311R16-D307 IonicContact CZ-OD1 2.69Å; R16-D307 IonicContact NH1-OD1 2.65Å; R16-D307 IonicContact NH1-OD2 2.63Å; R16-D307 IonicContact NH2-OD1 3.62Å; R16-D307 PolarHBondContact NH2-OD1 3.02Å; R16-D307 IonicContact NH2-OD2 2.74Å; R16-D307 PolarHBondContact NH2-OD2 3.48Å; D307-I309 VanDerWaalsContact C-N 3.28Å; D307-I309 PolarHBondContact O-N 3.07Å; D307-I309 PolarHBondContact OD1-N 2.79Å; D307-K310 HydrophobicContact CB-CB 4.06Å; D307-K310 HydrophobicContact CB-CD 4.06Å; D307-K310 HydrophobicContact CB-CG 4.2Å; D307-K310 VanDerWaalsContact CG-CG 3.42Å; D307-K310 PolarHBondContact O-N 2.88Å; D307-K310 WeakPolarHBondContact OD1-CG 3.36Å; D307-K310 PolarHBondContact OD1-N 2.82Å; D307-K310 WeakPolarHBondContact OD2-CD 3.3Å; D307-K310 WeakPolarHBondContact OD2-CE 3.32Å; D307-K310 WeakPolarHBondContact OD2-CG 3.47Å; D307-K310 IonicContact OD2-NZ 2.62Å; D307-K310 PolarHBondContact OD2-NZ 2.8Å; D307-E311 WeakPolarHBondContact O-CG 3.19Å; D307-E311 PolarHBondContact O-N 3.13Å
308L98.7Very high98.5Very high0 Ų019.9 Ų19.90%013%0.132CC..Hα-helixtrans-62.5-36.4-173.3-75169.4000112.1Q213 L215 L225 I293 H297 T300 E301 V306 E311 Q312Q213-L308 HydrophobicContact CG-CD1 4.11Å; Q213-L308 HydrophobicContact CG-CD2 4.06Å; L215-L308 HydrophobicContact CD1-CD2 3.9Å; L215-L308 HydrophobicContact CD2-CD2 3.89Å; L215-L308 HydrophobicContact CG-CD2 3.87Å; L225-L308 HydrophobicContact CD1-CD2 3.37Å; L225-L308 HydrophobicContact CD1-CG 4.47Å; I293-L308 HydrophobicContact CD1-CB 3.88Å; I293-L308 HydrophobicContact CD1-CD1 4.05Å; H297-L308 HydrophobicContact CB-CD1 3.73Å; T300-L308 HydrophobicContact CG2-CD1 4.21Å; E301-L308 HydrophobicContact CG-CB 4.31Å; E301-L308 HydrophobicContact CG-CD1 3.96Å; E301-L308 HydrophobicContact CG-CG 4.05Å; E301-L308 PolarHBondContact OE1-N 2.88Å; V306-L308 PolarHBondContact O-N 3.12Å; L308-E311 PolarHBondContact O-N 3.41Å; L308-Q312 WeakPolarHBondContact O-CG 3.48Å; L308-Q312 PolarHBondContact O-N 3.04Å
309I98.7Very high98.4Very high0 Ų023.1 Ų23.10%015%0.147CC..Hα-helixtrans-69.9-42.1-179.5-54.8-60.2000110.8I13 R16 I17 A20 I293 D307 E311 Q312 L313I13-I309 HydrophobicContact CD1-CD1 4.25Å; R16-I309 HydrophobicContact CG-CG1 4.04Å; I17-I309 HydrophobicContact CG1-CG2 4.16Å; A20-I309 HydrophobicContact CB-CB 4.05Å; A20-I309 HydrophobicContact CB-CG2 3.49Å; A20-I309 VanDerWaalsContact CB-CG2 3.49Å; I293-I309 HydrophobicContact CD1-CD1 4.41Å; I293-I309 HydrophobicContact CG1-CD1 3.95Å; D307-I309 VanDerWaalsContact C-N 3.28Å; D307-I309 PolarHBondContact O-N 3.07Å; D307-I309 PolarHBondContact OD1-N 2.79Å; I309-E311 VanDerWaalsContact C-N 3.33Å; I309-E311 PolarHBondContact O-N 3.21Å; I309-Q312 WeakPolarHBondContact O-CB 3.37Å; I309-Q312 PolarHBondContact O-N 2.81Å; I309-L313 HydrophobicContact CG2-CD1 4.33Å; I309-L313 WeakPolarHBondContact O-CG 3.08Å; I309-L313 PolarHBondContact O-N 3.07Å
310K98.7Very high98.3Very high40 Ų4026.7 Ų26.717%0.17417%0.171CC..Hα-helixtrans-64.1-39.1174-71.8-178.5-172.51560111.8A20 E23 L24 D307 L313 R314A20-K310 HydrophobicContact CB-CG 4.17Å; E23-K310 WeakPolarHBondContact OE2-CE 3.3Å; E23-K310 IonicContact OE2-NZ 3.84Å; E23-K310 PolarHBondContact OE2-NZ 3.06Å; L24-K310 HydrophobicContact CD1-CB 4.11Å; L24-K310 HydrophobicContact CD1-CD 4.42Å; L24-K310 HydrophobicContact CD1-CG 3.77Å; L24-K310 HydrophobicContact CD2-CD 4.23Å; L24-K310 HydrophobicContact CD2-CG 4.45Å; L24-K310 HydrophobicContact CG-CD 4.25Å; L24-K310 HydrophobicContact CG-CG 4.09Å; D307-K310 HydrophobicContact CB-CB 4.06Å; D307-K310 HydrophobicContact CB-CD 4.06Å; D307-K310 HydrophobicContact CB-CG 4.2Å; D307-K310 VanDerWaalsContact CG-CG 3.42Å; D307-K310 PolarHBondContact O-N 2.88Å; D307-K310 WeakPolarHBondContact OD1-CG 3.36Å; D307-K310 PolarHBondContact OD1-N 2.82Å; D307-K310 WeakPolarHBondContact OD2-CD 3.3Å; D307-K310 WeakPolarHBondContact OD2-CE 3.32Å; D307-K310 WeakPolarHBondContact OD2-CG 3.47Å; D307-K310 IonicContact OD2-NZ 2.62Å; D307-K310 PolarHBondContact OD2-NZ 2.8Å; K310-L313 PolarHBondContact O-N 3.07Å; K310-R314 WeakPolarHBondContact O-CG 3.4Å; K310-R314 PolarHBondContact O-N 2.99Å
311E98.6Very high98.3Very high4 Ų427.9 Ų27.92%0.01918%0.177CC..Hα-helixtrans-62.9-43174.8-68.1-51.2101.900111.5L215 V306 D307 L308 I309 L313 R314 I315 S322L215-E311 HydrophobicContact CD1-CB 3.66Å; L215-E311 HydrophobicContact CD1-CG 3.74Å; L215-E311 HydrophobicContact CD2-CB 4.16Å; V306-E311 HydrophobicContact CG1-CG 4Å; D307-E311 WeakPolarHBondContact O-CG 3.19Å; D307-E311 PolarHBondContact O-N 3.13Å; L308-E311 PolarHBondContact O-N 3.41Å; I309-E311 VanDerWaalsContact C-N 3.33Å; I309-E311 PolarHBondContact O-N 3.21Å; E311-L313 VanDerWaalsContact C-N 3.3Å; E311-L313 PolarHBondContact O-N 3.27Å; E311-R314 PolarHBondContact O-N 2.86Å; E311-R314 WeakPolarHBondContact OE1-CD 3.42Å; E311-R314 IonicContact OE1-CZ 2.62Å; E311-R314 IonicContact OE1-NH1 3.67Å; E311-R314 PolarHBondContact OE1-NH1 2.76Å; E311-I315 HydrophobicContact CB-CD1 4.43Å; E311-I315 WeakPolarHBondContact O-CB 3.25Å; E311-I315 WeakPolarHBondContact O-CD1 3.22Å; E311-I315 WeakPolarHBondContact O-CG1 3.4Å; E311-I315 PolarHBondContact O-N 2.79Å; E311-S322 PolarHBondContact OE1-OG 3.05Å; E311-S322 WeakPolarHBondContact OE2-CB 3.13Å; E311-S322 PolarHBondContact OE2-N 3Å; E311-S322 VanDerWaalsContact OE2-N 3.16Å; E311-S322 PolarHBondContact OE2-OG 2.68Å
312Q98.7Very high98.2Very high6 Ų630.6 Ų30.63%0.02820%0.197CC..Hα-helixtrans-55.7-44.9173-72.7-176.9-83.600112I103 A272 L308 I309 A316I103-Q312 HydrophobicContact CG2-CB 4.01Å; A272-Q312 HydrophobicContact CB-CG 3.66Å; L308-Q312 WeakPolarHBondContact O-CG 3.48Å; L308-Q312 PolarHBondContact O-N 3.04Å; I309-Q312 WeakPolarHBondContact O-CB 3.37Å; I309-Q312 PolarHBondContact O-N 2.81Å; Q312-A316 VanDerWaalsContact O-CB 3.25Å; Q312-A316 WeakPolarHBondContact O-CB 3.3Å; Q312-A316 PolarHBondContact O-N 2.9Å
313L98.7Very high98.1Very high0 Ų029.5 Ų29.50%019%0.192CC..Hα-helixtrans-66-39.8179.1-68.1165.8000112.5L2 I5 A20 L24 I26 I103 I309 K310 E311 A317L2-L313 HydrophobicContact CD1-CD2 4.16Å; I5-L313 HydrophobicContact CD1-CD2 3.97Å; A20-L313 HydrophobicContact CB-CD1 4.08Å; L24-L313 HydrophobicContact CD1-CB 4.16Å; L24-L313 HydrophobicContact CD1-CD1 3.87Å; I26-L313 HydrophobicContact CD1-CB 4.46Å; I26-L313 HydrophobicContact CD1-CD1 4.33Å; I26-L313 HydrophobicContact CD1-CD2 4.48Å; I103-L313 HydrophobicContact CD1-CD2 3.81Å; I309-L313 HydrophobicContact CG2-CD1 4.33Å; I309-L313 WeakPolarHBondContact O-CG 3.08Å; I309-L313 PolarHBondContact O-N 3.07Å; K310-L313 PolarHBondContact O-N 3.07Å; E311-L313 VanDerWaalsContact C-N 3.3Å; E311-L313 PolarHBondContact O-N 3.27Å; L313-A317 WeakPolarHBondContact O-CB 3.18Å; L313-A317 PolarHBondContact O-N 3.19Å; L313-A317 VanDerWaalsContact O-N 3.07Å
314R98.3Very high98Very high69 Ų6935.4 Ų35.426%0.2622%0.218SC..Hα-helixtrans-66.2-49.3176.2-73.5178176145.4-3.9111.8M1 K310 E311 A316 A317 G318 Q319M1-R314 HydrophobicContact CE-CB 4.45Å; M1-R314 HydrophobicContact CE-CG 3.57Å; K310-R314 WeakPolarHBondContact O-CG 3.4Å; K310-R314 PolarHBondContact O-N 2.99Å; E311-R314 PolarHBondContact O-N 2.86Å; E311-R314 WeakPolarHBondContact OE1-CD 3.42Å; E311-R314 IonicContact OE1-CZ 2.62Å; E311-R314 IonicContact OE1-NH1 3.67Å; E311-R314 PolarHBondContact OE1-NH1 2.76Å; R314-A316 VanDerWaalsContact C-N 3.32Å; R314-A316 PolarHBondContact O-N 3.33Å; R314-A317 CarbonylContact O-C 3.55Å; R314-A317 WeakPolarHBondContact O-CA 3.4Å; R314-A317 WeakPolarHBondContact O-CB 3.3Å; R314-A317 PolarHBondContact O-N 2.83Å; R314-G318 PolarHBondContact O-N 3.18Å; R314-Q319 HydrophobicContact CB-CB 4.23Å; R314-Q319 VanDerWaalsContact CG-OE1 3.27Å; R314-Q319 WeakPolarHBondContact O-CB 3.29Å; R314-Q319 PolarHBondContact O-N 3.08Å
315I98.4Very high98Very high4 Ų436.9 Ų36.92%0.02122%0.223CC..Hα-helixtrans-58.9-45.7178-68.1161.4000110.2L215 D217 R270 E311 A317 G318 L321L215-I315 HydrophobicContact CD2-CD1 4.33Å; D217-I315 HydrophobicContact CB-CG1 4.41Å; R270-I315 HydrophobicContact CG-CG2 3.61Å; E311-I315 HydrophobicContact CB-CD1 4.43Å; E311-I315 WeakPolarHBondContact O-CB 3.25Å; E311-I315 WeakPolarHBondContact O-CD1 3.22Å; E311-I315 WeakPolarHBondContact O-CG1 3.4Å; E311-I315 PolarHBondContact O-N 2.79Å; I315-A317 PolarHBondContact O-N 3.01Å; I315-G318 WeakPolarHBondContact O-CA 3.44Å; I315-G318 PolarHBondContact O-N 3.11Å; I315-L321 HydrophobicContact CD1-CD2 3.74Å; I315-L321 HydrophobicContact CG1-CD2 4.21Å
316A98.4Very high98Very high11 Ų1140 Ų409%0.09122%0.219CC..Hα-helixtrans-64.5-29176.900000112.8L2 I101 I103 Q312 R314 G318L2-A316 HydrophobicContact CD1-CB 4.4Å; I101-A316 HydrophobicContact CG2-CB 3.95Å; I101-A316 WeakPolarHBondContact CG2-O 3.2Å; I103-A316 HydrophobicContact CB-CB 4.05Å; I103-A316 HydrophobicContact CG1-CB 3.68Å; I103-A316 HydrophobicContact CG2-CB 3.89Å; Q312-A316 VanDerWaalsContact O-CB 3.25Å; Q312-A316 WeakPolarHBondContact O-CB 3.3Å; Q312-A316 PolarHBondContact O-N 2.9Å; R314-A316 VanDerWaalsContact C-N 3.32Å; R314-A316 PolarHBondContact O-N 3.33Å; A316-G318 PolarHBondContact O-N 3Å
317A97.8Very high98Very high32 Ų3244.2 Ų44.226%0.26424%0.238SC..THydrogen-bonded Turntrans-75.65171.400000113.9L2 L313 R314 I315L2-A317 HydrophobicContact CD2-CB 4.18Å; L2-A317 HydrophobicContact CG-CB 4.06Å; L313-A317 WeakPolarHBondContact O-CB 3.18Å; L313-A317 PolarHBondContact O-N 3.19Å; L313-A317 VanDerWaalsContact O-N 3.07Å; R314-A317 CarbonylContact O-C 3.55Å; R314-A317 WeakPolarHBondContact O-CA 3.4Å; R314-A317 WeakPolarHBondContact O-CB 3.3Å; R314-A317 PolarHBondContact O-N 2.83Å; I315-A317 PolarHBondContact O-N 3.01Å
318G97Very high98Very high48 Ų4843.5 Ų43.550%0.49524%0.235SC..THydrogen-bonded Turntrans828.8-179.100000114.6Q219 R314 I315 A316Q219-G318 PolarHBondContact NE2-O 3.16Å; Q219-G318 VanDerWaalsContact NE2-O 3.1Å; R314-G318 PolarHBondContact O-N 3.18Å; I315-G318 WeakPolarHBondContact O-CA 3.44Å; I315-G318 PolarHBondContact O-N 3.11Å; A316-G318 PolarHBondContact O-N 3Å
319Q97.5Very high97.9Very high69 Ų6948.6 Ų48.632%0.32226%0.259SS..PPolyproline II helixtrans-77.5147.5176.9-60.1-176.9-12.900110.7Q219 R314Q219-Q319 PolarHBondContact NE2-O 3Å; R314-Q319 HydrophobicContact CB-CB 4.23Å; R314-Q319 VanDerWaalsContact CG-OE1 3.27Å; R314-Q319 WeakPolarHBondContact O-CB 3.29Å; R314-Q319 PolarHBondContact O-N 3.08Å
320P97.1Very high97.9Very high75 Ų7551.2 Ų51.249%0.48727%0.274SS..PPolyproline II helixtrans-66.9169.4169.331.5-36.2000110.7S322P320-S322 PolarHBondContact O-N 3.42Å
321L97.7Very high97.8Very high24 Ų2457.2 Ų57.213%0.12630%0.296CS..PPolyproline II helixtrans-53.6133.9170.9-65.8177000110.7L215 D217 N221 I223 I315 I323L215-L321 HydrophobicContact CB-CD2 3.87Å; D217-L321 HydrophobicContact CB-CD2 4.4Å; D217-L321 HydrophobicContact CB-CG 4.07Å; D217-L321 PolarHBondContact OD2-N 2.85Å; N221-L321 HydrophobicContact CB-CD1 3.99Å; I223-L321 HydrophobicContact CD1-CD1 4.46Å; I223-L321 HydrophobicContact CG1-CD1 4.11Å; I223-L321 HydrophobicContact CG2-CD1 3.95Å; I315-L321 HydrophobicContact CD1-CD2 3.74Å; I315-L321 HydrophobicContact CG1-CD2 4.21Å; L321-I323 PolarHBondContact O-N 3.09Å
322S96.3Very high97.8Very high70 Ų7058.3 Ų58.349%0.4931%0.308SS..SBendtrans-76.8-9.5179690000113.8E311 P320E311-S322 PolarHBondContact OE1-OG 3.05Å; E311-S322 WeakPolarHBondContact OE2-CB 3.13Å; E311-S322 PolarHBondContact OE2-N 3Å; E311-S322 VanDerWaalsContact OE2-N 3.16Å; E311-S322 PolarHBondContact OE2-OG 2.68Å; P320-S322 PolarHBondContact O-N 3.42Å
323I97.2Very high97.8Very high28 Ų2858.6 Ų58.614%0.14431%0.309CS..SBendtrans-140.6143.3-172.8-170.1175.5000110.1I223 V306 L321 E327 V328I223-I323 HydrophobicContact CD1-CG2 3.44Å; I223-I323 VanDerWaalsContact CD1-CG2 3.44Å; V306-I323 HydrophobicContact CG2-CD1 3.84Å; L321-I323 PolarHBondContact O-N 3.09Å; I323-E327 HydrophobicContact CD1-CB 4.03Å; I323-E327 HydrophobicContact CG1-CB 3.56Å; I323-V328 HydrophobicContact CD1-CG2 4.08Å; I323-V328 HydrophobicContact CG1-CG2 4.48Å
324K97.8Very high97.8Very high128 Ų12858.6 Ų58.656%0.55731%0.309SS*.  trans-97.7164.4174.6-58.2-179.8-177.6176.90112E326 E327 V328K324-E326 VanDerWaalsContact C-N 3.26Å; K324-E326 HydrophobicContact CB-CG 4.33Å; K324-E326 WeakPolarHBondContact CB-OE2 3.49Å; K324-E326 WeakPolarHBondContact CD-OE1 3.35Å; K324-E326 PolarHBondContact O-N 2.93Å; K324-E327 WeakPolarHBondContact CB-OE2 3.24Å; K324-E327 PolarHBondContact N-OE2 3.48Å; K324-E327 PolarHBondContact O-N 2.91Å; K324-V328 PolarHBondContact O-N 3.43Å
325Q98.2Very high97.8Very high51 Ų5155.3 Ų55.324%0.23830%0.297CS..G310 helixtrans-59.9-36.7-176.6-171.660.670.500112.8I223 Y224 E327 V328I223-Q325 VanDerWaalsContact CA-OE1 3.32Å; I223-Q325 HydrophobicContact CG2-CB 4.19Å; Y224-Q325 VanDerWaalsContact CD1-CD 3.49Å; Y224-Q325 HydrophobicContact CD1-CG 4.48Å; Y224-Q325 HydrophobicContact CE1-CG 3.93Å; Y224-Q325 VanDerWaalsContact CE1-OE1 3.25Å; Y224-Q325 PolarHBondContact O-NE2 3.3Å; Y224-Q325 VanDerWaalsContact O-NE2 3.08Å; Q325-E327 VanDerWaalsContact C-N 3.25Å; Q325-E327 PolarHBondContact O-N 3.29Å; Q325-V328 PolarHBondContact O-N 3.35Å
326E97.6Very high97.8Very high135 Ų13555.1 Ų55.163%0.63130%0.296SS*.G310 helixtrans-69.1-19.6178.361.2-90.9-152.800114.2K324K324-E326 VanDerWaalsContact C-N 3.26Å; K324-E326 HydrophobicContact CB-CG 4.33Å; K324-E326 WeakPolarHBondContact CB-OE2 3.49Å; K324-E326 WeakPolarHBondContact CD-OE1 3.35Å; K324-E326 PolarHBondContact O-N 2.93Å
327E97.8Very high97.9Very high99 Ų9954.6 Ų54.646%0.46329%0.291SS..G310 helixtrans-90.4-11.7178.1-63.3173.8113.600112.1I323 K324 Q325 H329I323-E327 HydrophobicContact CD1-CB 4.03Å; I323-E327 HydrophobicContact CG1-CB 3.56Å; K324-E327 WeakPolarHBondContact CB-OE2 3.24Å; K324-E327 PolarHBondContact N-OE2 3.48Å; K324-E327 PolarHBondContact O-N 2.91Å; Q325-E327 VanDerWaalsContact C-N 3.25Å; Q325-E327 PolarHBondContact O-N 3.29Å; E327-H329 PolarHBondContact O-CD2 3.1Å; E327-H329 PolarHBondContact O-N 3.08Å; E327-H329 VanDerWaalsContact O-N 3.13Å
328V98.2Very high97.9Very high21 Ų2154.5 Ų54.513%0.12728%0.284CS..  trans-73106.1175.5179.20000109.3I223 L225 T304 I323 K324 Q325I223-V328 HydrophobicContact CD1-CG2 4.28Å; L225-V328 HydrophobicContact CD2-CG1 3.86Å; L225-V328 HydrophobicContact CD2-CG2 3.82Å; T304-V328 HydrophobicContact CG2-CG1 4.24Å; I323-V328 HydrophobicContact CD1-CG2 4.08Å; I323-V328 HydrophobicContact CG1-CG2 4.48Å; K324-V328 PolarHBondContact O-N 3.43Å; Q325-V328 PolarHBondContact O-N 3.35Å
329H97.1Very high98Very high107 Ų10752.2 Ų52.250%0.49526%0.261SS..  trans-108.6117.3176.2-60.9-46.7000111.1E327E327-H329 PolarHBondContact O-CD2 3.1Å; E327-H329 PolarHBondContact O-N 3.08Å; E327-H329 VanDerWaalsContact O-N 3.13Å
330V97.9Very high98Very high54 Ų5450 Ų5033%0.32725%0.251SS..  trans-83.3122.3171.9178.20000109.1A226 P244 I303A226-V330 HydrophobicContact CB-CG2 3.65Å; P244-V330 HydrophobicContact CG-CG1 4.46Å; I303-V330 HydrophobicContact CB-CG1 4.44Å; I303-V330 HydrophobicContact CD1-CG1 3.96Å; I303-V330 HydrophobicContact CG1-CG1 4.48Å
331R97.5Very high98.1Very high167 Ų16746.4 Ų46.463%0.6323%0.228SC*.  trans-132.3138.1179-63.4-177.8-178.3174.72.4111.1I303 Y391I303-R331 PolarHBondContact O-N 3.09Å; R331-Y391 VanDerWaalsContact O-CE2 3.22Å; R331-Y391 WeakPolarHBondContact O-CE2 3.45Å; R331-Y391 PolarHBondContact O-OH 3.24Å; R331-Y391 VanDerWaalsContact O-OH 3.13Å
332G98.3Very high98.1Very high26 Ų2645.4 Ų45.427%0.26822%0.223SC..SBendtrans63.8-151.7176.400000112.9P244 G392 E393P244-G332 WeakPolarHBondContact CD-O 3.36Å; G332-G392 CarbonylContact C-O 3.4Å; G332-G392 WeakPolarHBondContact CA-O 3.46Å; G332-E393 WeakPolarHBondContact CA-O 3.13Å
333H98.8Very high98.1Very high12 Ų1243 Ų436%0.05620%0.204CC..EExtended strand (participates in β ladder)trans-146.4141.9-176.7-158.199000109.9E242 A243 P244 Y391 G392 R395 A398E242-H333 IonicContact OE2-CD2 2.64Å; E242-H333 IonicContact OE2-CE1 3.83Å; E242-H333 PolarHBondContact OE2-CE1 3.19Å; E242-H333 IonicContact OE2-NE2 2.75Å; E242-H333 PolarHBondContact OE2-NE2 3.29Å; A243-H333 CarbonylContact O-C 3.26Å; A243-H333 WeakPolarHBondContact O-CA 3.27Å; P244-H333 PolarHBondContact O-CE1 2.9Å; H333-Y391 CarbonylContact O-C 3.53Å; H333-Y391 VanDerWaalsContact O-CA 3.31Å; H333-Y391 WeakPolarHBondContact O-CA 3.48Å; H333-Y391 WeakPolarHBondContact O-CD2 3.3Å; H333-G392 PolarHBondContact N-O 3.41Å; H333-G392 PolarHBondContact O-N 3.39Å; H333-R395 HydrophobicContact CB-CB 4.3Å; H333-A398 HydrophobicContact CB-CB 4.34Å; H333-A398 WeakPolarHBondContact O-CB 3.28Å
334A98.9Very high97.9Very high0 Ų042.1 Ų42.10%020%0.2CC..EExtended strand (participates in β ladder)trans-126141.217500000110.5E242 A243 V299 M302 I303 C390 Y391E242-A334 CarbonylContact C-O 3.48Å; E242-A334 WeakPolarHBondContact CA-O 3.23Å; E242-A334 WeakPolarHBondContact CB-O 3.44Å; A243-A334 PolarHBondContact N-O 3.44Å; A243-A334 PolarHBondContact O-N 2.89Å; V299-A334 HydrophobicContact CB-CB 3.88Å; V299-A334 HydrophobicContact CG1-CB 4.02Å; M302-A334 HydrophobicContact CB-CB 3.76Å; M302-A334 HydrophobicContact CG-CB 4.44Å; I303-A334 HydrophobicContact CG2-CB 3.85Å; A334-C390 CarbonylContact C-O 3.59Å; A334-C390 VanDerWaalsContact CA-O 3.27Å; A334-C390 WeakPolarHBondContact CA-O 3.45Å; A334-Y391 HydrophobicContact CB-CD2 4.42Å
335V98.9Very high97.7Very high0 Ų040.7 Ų40.70%020%0.199CC..EExtended strand (participates in β ladder)trans-124.9135.3174.1-1770000107.9V240 E241 E242 I389 C390 A398 I399 M402 M425V240-V335 HydrophobicContact CG1-CG1 3.82Å; E241-V335 CarbonylContact O-C 3.42Å; E241-V335 WeakPolarHBondContact O-CA 3.35Å; E242-V335 HydrophobicContact CB-CG2 4.14Å; V335-I389 CarbonylContact O-C 3.5Å; V335-I389 VanDerWaalsContact O-CA 3.32Å; V335-I389 WeakPolarHBondContact O-CA 3.36Å; V335-C390 PolarHBondContact N-O 3.34Å; V335-C390 PolarHBondContact O-N 2.86Å; V335-A398 HydrophobicContact CG2-CB 4.06Å; V335-I399 HydrophobicContact CG2-CG1 4.21Å; V335-M402 HydrophobicContact CB-CE 4.27Å; V335-M402 HydrophobicContact CG1-CE 4.22Å; V335-M402 WeakPolarHBondContact O-CE 3.38Å; V335-M425 HydrophobicContact CG1-CE 4.02Å; V335-M425 HydrophobicContact CG1-SD 4.28Å
336E98.9Very high97.4Very high0 Ų042.1 Ų42.10%021%0.211CC..EExtended strand (participates in β ladder)trans-116.9133.2174.8173.1171.4133.500110.3V240 E241 E296 P298 V299 K387 L388 I389V240-E336 VanDerWaalsContact CA-O 3.3Å; V240-E336 WeakPolarHBondContact CA-O 3.29Å; V240-E336 WeakPolarHBondContact CG1-O 3.39Å; E241-E336 PolarHBondContact N-O 2.82Å; E241-E336 PolarHBondContact O-N 3.28Å; E296-E336 WeakPolarHBondContact CA-OE1 3.3Å; P298-E336 VanDerWaalsContact CD-OE2 3.3Å; P298-E336 WeakPolarHBondContact CD-OE2 3.36Å; P298-E336 WeakPolarHBondContact CG-OE2 3.39Å; V299-E336 HydrophobicContact CG1-CB 3.49Å; V299-E336 VanDerWaalsContact CG1-CB 3.49Å; E336-K387 HydrophobicContact CG-CB 4.24Å; E336-K387 WeakPolarHBondContact OE1-CD 3.37Å; E336-L388 CarbonylContact C-O 3.57Å; E336-L388 WeakPolarHBondContact CA-O 3.46Å; E336-I389 HydrophobicContact CB-CG1 3.85Å; E336-I389 HydrophobicContact CG-CG1 3.78Å; E336-I389 WeakPolarHBondContact OE2-CG1 3.15Å
337C98.8Very high97.2Very high0 Ų036.9 Ų36.90%019%0.186CC..EExtended strand (participates in β ladder)trans-110.8122.1169.4-75.70000108.8I339 L388 M402 Q421C337-I339 HydrophobicContact CB-CD1 4.14Å; C337-I339 PolarHBondContact O-N 3.39Å; C337-L388 PolarHBondContact N-O 3.35Å; C337-L388 PolarHBondContact O-N 3.44Å; C337-M402 HydrophobicContact CB-CE 4.26Å; C337-M402 HydrophobicContact CB-SD 4.16Å; C337-Q421 HydrophobicContact CB-CB 4.39Å; C337-Q421 HydrophobicContact CB-CG 4.01Å; C337-Q421 PolarHBondContact SG-OE1 3.05Å
338R98.4Very high97Very high31 Ų3137.6 Ų37.612%0.11719%0.193CC..EExtended strand (participates in β ladder)trans-73.2117.4169-58.2-165.4-167.8-155.4-3.6109.9K238 V239 E241 E296 M384 N417 Q421K238-R338 WeakPolarHBondContact O-CD 3.35Å; K238-R338 PolarHBondContact O-NE 3.06Å; V239-R338 PolarHBondContact O-N 3.46Å; E241-R338 IonicContact OE1-CZ 3.51Å; E241-R338 IonicContact OE1-NE 3.55Å; E241-R338 PolarHBondContact OE1-NE 2.85Å; E241-R338 IonicContact OE1-NH2 3.19Å; E241-R338 PolarHBondContact OE1-NH2 3.49Å; E241-R338 IonicContact OE2-NE 2.72Å; E296-R338 IonicContact OE1-NH2 3.09Å; E296-R338 IonicContact OE2-CZ 2.79Å; E296-R338 IonicContact OE2-NH2 3.18Å; E296-R338 PolarHBondContact OE2-NH2 2.89Å; R338-M384 HydrophobicContact CB-SD 4.44Å; R338-M384 HydrophobicContact CG-SD 4.42Å; R338-N417 PolarHBondContact O-ND2 3.21Å; R338-N417 PolarHBondContact O-OD1 2.97Å; R338-Q421 PolarHBondContact O-NE2 2.66Å
339I98.7Very high96.9Very high0 Ų041 Ų410%022%0.215CC..EExtended strand (participates in β ladder)trans-95.8117.7177.6-53.1-50.2000109.1C337 W367 I385 G386 L388 L406 L409 I411 N417 V418 Q421C337-I339 HydrophobicContact CB-CD1 4.14Å; C337-I339 PolarHBondContact O-N 3.39Å; I339-W367 HydrophobicContact CB-CH2 4.08Å; I339-W367 HydrophobicContact CB-CZ3 4.26Å; I339-W367 HydrophobicContact CG1-CH2 4Å; I339-W367 HydrophobicContact CG1-CZ3 3.69Å; I339-W367 HydrophobicContact CG2-CH2 4.31Å; I339-I385 HydrophobicContact CB-CG1 4.48Å; I339-I385 HydrophobicContact CG2-CD1 4.12Å; I339-I385 HydrophobicContact CG2-CG1 3.96Å; I339-I385 VanDerWaalsContact O-CG1 3.25Å; I339-I385 WeakPolarHBondContact O-CG1 3.48Å; I339-I385 PolarHBondContact O-N 3.4Å; I339-G386 WeakPolarHBondContact CA-O 3.39Å; I339-G386 PolarHBondContact N-O 3.15Å; I339-G386 PolarHBondContact O-N 3.42Å; I339-G386 VanDerWaalsContact O-N 3.15Å; I339-L388 HydrophobicContact CG1-CB 4.33Å; I339-L406 HydrophobicContact CD1-CD2 4.02Å; I339-L409 HydrophobicContact CD1-CD2 4.38Å; I339-L409 HydrophobicContact CG1-CD2 4.13Å; I339-L409 HydrophobicContact CG2-CD2 4.29Å; I339-I411 HydrophobicContact CG2-CD1 4.14Å; I339-N417 WeakPolarHBondContact CA-OD1 3.36Å; I339-V418 HydrophobicContact CD1-CG2 4.29Å; I339-V418 HydrophobicContact CG2-CG2 4.13Å; I339-Q421 HydrophobicContact CD1-CG 4.07Å
340N98.3Very high96.9Very high21 Ų2137.2 Ų37.211%0.11220%0.201CC..EExtended strand (participates in β ladder)trans-117.3144-176.4-59.2-39.1000110.9E342 S383 M384 T416 N417N340-E342 HydrophobicContact CB-CB 4.39Å; N340-E342 HydrophobicContact CB-CG 3.77Å; N340-E342 WeakPolarHBondContact CB-OE1 3.48Å; N340-E342 PolarHBondContact ND2-OE1 3.01Å; N340-E342 PolarHBondContact O-N 2.99Å; N340-S383 CarbonylContact C-O 3.59Å; N340-S383 WeakPolarHBondContact CA-O 3.13Å; N340-M384 VanDerWaalsContact OD1-CA 3.24Å; N340-M384 WeakPolarHBondContact OD1-CA 3.36Å; N340-M384 WeakPolarHBondContact OD1-CB 3.13Å; N340-T416 VanDerWaalsContact O-CA 3.23Å; N340-T416 WeakPolarHBondContact O-CA 3.38Å; N340-N417 PolarHBondContact N-OD1 3.38Å; N340-N417 PolarHBondContact ND2-ND2 3.49Å; N340-N417 PolarHBondContact O-N 3.42Å; N340-N417 VanDerWaalsContact O-N 3.14Å
341A98.2Very high96.9Very high1 Ų137.2 Ų37.21%0.00820%0.202CC..SBendtrans-72.875164.100000109.7P349 S350 V377 S383 I385 I414 K415A341-P349 WeakPolarHBondContact O-CA 3.23Å; A341-S350 PolarHBondContact O-N 3.2Å; A341-V377 HydrophobicContact CB-CG1 4Å; A341-S383 PolarHBondContact N-O 2.78Å; A341-S383 WeakPolarHBondContact O-CB 3.28Å; A341-I385 HydrophobicContact CB-CD1 4.44Å; A341-I385 HydrophobicContact CB-CG2 3.92Å; A341-I414 HydrophobicContact CB-CD1 3.91Å; A341-K415 CarbonylContact C-O 3.52Å; A341-K415 WeakPolarHBondContact CA-O 3.14Å
342E97.2Very high96.9Very high3 Ų330.2 Ų30.21%0.01418%0.182CC..BIsolated β-bridgetrans-142.8154.9179.368.4-174.4158.900110.4R234 N340 L348 K415 T416 N417R234-E342 IonicContact CZ-OE2 3.45Å; R234-E342 VanDerWaalsContact CZ-OE2 3.31Å; R234-E342 IonicContact NH1-OE1 2.71Å; R234-E342 IonicContact NH1-OE2 2.74Å; R234-E342 PolarHBondContact NH1-OE2 3.44Å; R234-E342 IonicContact NH2-OE2 3.17Å; R234-E342 PolarHBondContact NH2-OE2 3.2Å; N340-E342 HydrophobicContact CB-CB 4.39Å; N340-E342 HydrophobicContact CB-CG 3.77Å; N340-E342 WeakPolarHBondContact CB-OE1 3.48Å; N340-E342 PolarHBondContact ND2-OE1 3.01Å; N340-E342 PolarHBondContact O-N 2.99Å; E342-L348 CarbonylContact C-O 3.48Å; E342-L348 VanDerWaalsContact CA-O 3.27Å; E342-L348 WeakPolarHBondContact CA-O 3.47Å; E342-K415 PolarHBondContact N-O 3.38Å; E342-K415 CarbonylContact O-C 3.55Å; E342-T416 CarbonylContact O-C 3.36Å; E342-T416 WeakPolarHBondContact O-CA 3.37Å; E342-T416 PolarHBondContact O-N 3.49Å; E342-N417 HydrophobicContact CG-CB 3.62Å; E342-N417 PolarHBondContact O-N 2.96Å; E342-N417 VanDerWaalsContact OE1-CB 3.22Å; E342-N417 WeakPolarHBondContact OE1-CB 3.49Å; E342-N417 PolarHBondContact OE1-ND2 2.9Å
343D96.6Very high96.9Very high19 Ų1935 Ų3510%0.10220%0.195CC..  trans-68.5129.9169.7-178.4-72.3000110.2N345 T346 F347 L348 K415D343-N345 PolarHBondContact O-N 3.44Å; D343-N345 VanDerWaalsContact O-N 3.13Å; D343-N345 WeakPolarHBondContact OD1-CA 3.46Å; D343-N345 PolarHBondContact OD1-N 2.94Å; D343-T346 VanDerWaalsContact CB-OG1 3.23Å; D343-T346 WeakPolarHBondContact CB-OG1 3.31Å; D343-T346 PolarHBondContact OD1-N 2.97Å; D343-T346 PolarHBondContact OD1-OG1 3.37Å; D343-T346 VanDerWaalsContact OD1-OG1 3.09Å; D343-F347 WeakPolarHBondContact O-CA 3.09Å; D343-F347 PolarHBondContact O-N 3.4Å; D343-L348 PolarHBondContact N-O 3Å; D343-K415 HydrophobicContact CB-CD 3.87Å; D343-K415 WeakPolarHBondContact OD2-CD 3.24Å; D343-K415 WeakPolarHBondContact OD2-CE 3.49Å; D343-K415 IonicContact OD2-NZ 3.57Å; D343-K415 PolarHBondContact OD2-NZ 2.87Å
344P94.4Very high96.8Very high9 Ų934.5 Ų34.56%0.05819%0.193CC..THydrogen-bonded Turntrans-70.4-10.9-172.727.3-34.3000114.2F347 T416 D419 L420 R423P344-F347 VanDerWaalsContact O-CE1 3.25Å; P344-F347 WeakPolarHBondContact O-CE1 3.48Å; P344-T416 WeakPolarHBondContact CD-O 3.5Å; P344-D419 HydrophobicContact CB-CB 3.89Å; P344-D419 HydrophobicContact CG-CB 4.04Å; P344-L420 HydrophobicContact CB-CB 4.28Å; P344-R423 PolarHBondContact O-NH2 2.99Å
345N93.1Very high96.8Very high98 Ų9839 Ų3952%0.52422%0.22SC..THydrogen-bonded Turntrans-113.9-42.5-177.4-61.5-57.3000112.5D343 F347 R423D343-N345 PolarHBondContact O-N 3.44Å; D343-N345 VanDerWaalsContact O-N 3.13Å; D343-N345 WeakPolarHBondContact OD1-CA 3.46Å; D343-N345 PolarHBondContact OD1-N 2.94Å; N345-F347 WeakPolarHBondContact O-CE2 3.32Å; N345-R423 PolarHBondContact OD1-NH1 3.47Å; N345-R423 PolarHBondContact OD1-NH2 2.96Å; N345-R423 VanDerWaalsContact OD1-NH2 3.07Å
346T92.7Very high96.8Very high81 Ų8145.5 Ų45.550%0.49725%0.245SC..THydrogen-bonded Turntrans-95.4-16.3-178.562.30000113D343 L348D343-T346 VanDerWaalsContact CB-OG1 3.23Å; D343-T346 WeakPolarHBondContact CB-OG1 3.31Å; D343-T346 PolarHBondContact OD1-N 2.97Å; D343-T346 PolarHBondContact OD1-OG1 3.37Å; D343-T346 VanDerWaalsContact OD1-OG1 3.09Å; T346-L348 PolarHBondContact O-N 3.45Å; T346-L348 VanDerWaalsContact O-N 3.15Å
347F92.4Very high96.7Very high25 Ų2547.9 Ų47.911%0.1126%0.255CS..  trans63.615.1178.6-44-52.5000114.4D343 P344 N345 L420 L444 L446D343-F347 WeakPolarHBondContact O-CA 3.09Å; D343-F347 PolarHBondContact O-N 3.4Å; P344-F347 VanDerWaalsContact O-CE1 3.25Å; P344-F347 WeakPolarHBondContact O-CE1 3.48Å; N345-F347 WeakPolarHBondContact O-CE2 3.32Å; F347-L420 HydrophobicContact CE1-CD2 4.03Å; F347-L444 HydrophobicContact CE1-CD1 4.42Å; F347-L444 HydrophobicContact CE2-CD1 4.4Å; F347-L444 HydrophobicContact CZ-CD1 3.73Å; F347-L444 HydrophobicContact CZ-CD2 4.16Å; F347-L444 HydrophobicContact CZ-CG 4.36Å; F347-L446 HydrophobicContact CD2-CD1 4.2Å; F347-L446 HydrophobicContact CD2-CD2 4.36Å; F347-L446 HydrophobicContact CE2-CD1 3.66Å; F347-L446 HydrophobicContact CE2-CD2 3.99Å; F347-L446 HydrophobicContact CE2-CG 4.19Å; F347-L446 HydrophobicContact CZ-CD1 4.37Å
348L94.4Very high96.7Very high115 Ų11552.6 Ų52.660%0.60228%0.277SS*.  trans-68.8133172.4-68.6174.7000109.3E342 D343 T346E342-L348 CarbonylContact C-O 3.48Å; E342-L348 VanDerWaalsContact CA-O 3.27Å; E342-L348 WeakPolarHBondContact CA-O 3.47Å; D343-L348 PolarHBondContact N-O 3Å; T346-L348 PolarHBondContact O-N 3.45Å; T346-L348 VanDerWaalsContact O-N 3.15Å
349P95.8Very high96.6Very high93 Ų9352.9 Ų52.960%0.60429%0.286SS*.BIsolated β-bridgetrans-55.3140.2172.5-25.134.1000111.5A341 P351A341-P349 WeakPolarHBondContact O-CA 3.23Å; P349-P351 WeakPolarHBondContact O-CD 3.24Å
350S97.5Very high96.6Very high26 Ų2653.3 Ų53.318%0.18229%0.289CS..  trans-121.962.2179.8-179.90000111.2A341 I414 K415A341-S350 PolarHBondContact O-N 3.2Å; S350-I414 WeakPolarHBondContact O-CB 3.18Å; S350-I414 WeakPolarHBondContact O-CG2 3.49Å; S350-K415 PolarHBondContact OG-N 2.65Å
351P97Very high96.4Very high55 Ų5553.9 Ų53.936%0.35730%0.3SS..  trans-63151.1172.330.6-35.6000110.5P349 V377 P379P349-P351 WeakPolarHBondContact O-CD 3.24Å; P351-V377 VanDerWaalsContact CB-O 3.25Å; P351-V377 WeakPolarHBondContact CB-O 3.33Å; P351-P379 HydrophobicContact CB-CB 4.06Å; P351-P379 HydrophobicContact CG-CB 3.87Å
352G97.4Very high96.3Very high20 Ų2056.8 Ų56.821%0.20633%0.33CS..EExtended strand (participates in β ladder)trans157.2179.9-176.600000113.5T376 V377G352-T376 CarbonylContact O-C 3.6Å; G352-T376 WeakPolarHBondContact O-CA 3.24Å; G352-V377 PolarHBondContact N-O 3.06Å; G352-V377 VanDerWaalsContact N-O 3.14Å; G352-V377 PolarHBondContact O-N 3.28Å
353K98Very high96.3Very high127 Ų12764.7 Ų64.755%0.55237%0.365SS*.EExtended strand (participates in β ladder)trans-84.2124.9-178.2-172.6174.1-176.61770110.7T355 G413K353-T355 PolarHBondContact O-N 3.29Å; K353-G413 CarbonylContact O-C 3.5Å; K353-G413 WeakPolarHBondContact O-CA 3.27Å
354I98.3Very high96.4Very high0 Ų064.5 Ų64.50%037%0.367CS..  trans-75.5116.4171.8-62.2171.1000108.1R356 F357 I371 G374 Y375 V377 I411 D412 I414I354-R356 WeakPolarHBondContact CG2-O 3.33Å; I354-F357 HydrophobicContact CG2-CB 4.06Å; I354-I371 HydrophobicContact CD1-CB 3.71Å; I354-I371 HydrophobicContact CD1-CD1 4.04Å; I354-I371 HydrophobicContact CD1-CG1 4.2Å; I354-I371 HydrophobicContact CD1-CG2 3.96Å; I354-G374 WeakPolarHBondContact O-CA 3.15Å; I354-G374 PolarHBondContact O-N 2.85Å; I354-Y375 HydrophobicContact CD1-CD1 4.26Å; I354-Y375 PolarHBondContact N-O 2.73Å; I354-V377 HydrophobicContact CD1-CG2 4Å; I354-V377 HydrophobicContact CG1-CG2 4.29Å; I354-I411 HydrophobicContact CD1-CG2 4.33Å; I354-I411 HydrophobicContact CG1-CG2 4.26Å; I354-I411 HydrophobicContact CG2-CG2 4.27Å; I354-D412 CarbonylContact C-O 3.54Å; I354-D412 VanDerWaalsContact CA-O 3.26Å; I354-D412 WeakPolarHBondContact CA-O 3.41Å; I354-I414 HydrophobicContact CD1-CD1 4.2Å; I354-I414 HydrophobicContact CG1-CD1 3.85Å; I354-I414 HydrophobicContact CG1-CG1 4.22Å
355T98.2Very high96.6Very high95 Ų9565.6 Ų65.658%0.58337%0.373SS*.  trans-90.5-32.8-177.154.60000112.4K353 D412 G413K353-T355 PolarHBondContact O-N 3.29Å; T355-D412 PolarHBondContact N-O 2.79Å; T355-D412 WeakPolarHBondContact OG1-CB 3.32Å; T355-D412 PolarHBondContact OG1-O 2.87Å; T355-G413 PolarHBondContact OG1-N 2.88Å
356R98.1Very high96.8Very high136 Ų13663.1 Ų63.151%0.51336%0.356SS..EExtended strand (participates in β ladder)trans-140.2141.4173.8-170.7171.261.6149.72.8109.5I354 I410 D412I354-R356 WeakPolarHBondContact CG2-O 3.33Å; R356-I410 HydrophobicContact CG-CG2 4.42Å; R356-D412 HydrophobicContact CB-CB 3.97Å; R356-D412 WeakPolarHBondContact CB-OD2 3.43Å; R356-D412 IonicContact CZ-OD2 3.18Å; R356-D412 IonicContact NE-OD2 2.7Å; R356-D412 PolarHBondContact NE-OD2 2.85Å; R356-D412 IonicContact NH2-OD1 2.81Å; R356-D412 IonicContact NH2-OD2 3.12Å; R356-D412 PolarHBondContact NH2-OD2 2.89Å; R356-D412 PolarHBondContact O-N 2.78Å
357F98Very high97.1Very high50 Ų5061.2 Ų61.222%0.21934%0.34CS..EExtended strand (participates in β ladder)trans-139.3129.5176.7171.9-122.4000109.9I354 A359 W367 I371 A373 L409 I410 I411I354-F357 HydrophobicContact CG2-CB 4.06Å; F357-A359 HydrophobicContact CE1-CB 4.16Å; F357-A359 HydrophobicContact CE2-CB 4.25Å; F357-A359 HydrophobicContact CZ-CB 3.58Å; F357-W367 HydrophobicContact CE2-CZ2 4.16Å; F357-W367 HydrophobicContact CZ-CZ2 4.32Å; F357-W367 AromaticContact CZ-NE1 3.44Å; F357-I371 HydrophobicContact CD2-CD1 4.08Å; F357-I371 HydrophobicContact CD2-CG1 4.17Å; F357-I371 HydrophobicContact CE1-CG1 4.38Å; F357-I371 HydrophobicContact CE2-CD1 3.95Å; F357-I371 HydrophobicContact CE2-CG1 4.03Å; F357-I371 HydrophobicContact CG-CG1 4.42Å; F357-I371 HydrophobicContact CZ-CD1 4.5Å; F357-I371 HydrophobicContact CZ-CG1 4.13Å; F357-A373 HydrophobicContact CB-CB 4.34Å; F357-L409 HydrophobicContact CE2-CD1 4.13Å; F357-I410 CarbonylContact C-O 2.96Å; F357-I410 VanDerWaalsContact CA-O 3.27Å; F357-I410 WeakPolarHBondContact CA-O 3.34Å; F357-I411 HydrophobicContact CD2-CG1 4.05Å; F357-I411 HydrophobicContact CE2-CG1 4.43Å
358H97.7Very high97.4Very high99 Ų9960.4 Ų60.446%0.45834%0.337SS..EExtended strand (participates in β ladder)trans-132.5116.2168.4-164.685.9000108.4I410H358-I410 HydrophobicContact CB-CB 3.86Å; H358-I410 HydrophobicContact CB-CD1 4.14Å; H358-I410 HydrophobicContact CB-CG1 4.23Å; H358-I410 PolarHBondContact N-O 3.49Å; H358-I410 PolarHBondContact O-N 3Å
359A97.4Very high97.5Very high38 Ų3855.5 Ų55.531%0.31431%0.312SS..  trans-77.6139.5176.400000109.6F357 W367F357-A359 HydrophobicContact CE1-CB 4.16Å; F357-A359 HydrophobicContact CE2-CB 4.25Å; F357-A359 HydrophobicContact CZ-CB 3.58Å; A359-W367 HydrophobicContact CB-CG 4.25Å
360P97.9Very high97.5Very high8 Ų851.3 Ų51.35%0.05228%0.284CS..  trans-68.9157171.131.7-36.9000110.9V365 L388 A405 E408 L409P360-V365 HydrophobicContact CB-CG1 4.29Å; P360-V365 HydrophobicContact CG-CG1 4.39Å; P360-L388 HydrophobicContact CB-CD1 4.45Å; P360-L388 HydrophobicContact CG-CD1 3.44Å; P360-L388 VanDerWaalsContact CG-CD1 3.44Å; P360-L388 HydrophobicContact CG-CD2 4.17Å; P360-L388 HydrophobicContact CG-CG 4.45Å; P360-A405 HydrophobicContact CB-CB 3.91Å; P360-A405 VanDerWaalsContact CB-O 3.3Å; P360-A405 WeakPolarHBondContact CB-O 3.44Å; P360-A405 HydrophobicContact CG-CB 4.38Å; P360-E408 WeakPolarHBondContact CA-OE2 3.41Å; P360-E408 HydrophobicContact CB-CB 4.12Å; P360-E408 HydrophobicContact CB-CG 4.31Å; P360-L409 HydrophobicContact CG-CB 4.29Å
361G94.8Very high97.5Very high33 Ų3350.5 Ų50.534%0.3428%0.278SS..  trans-146.8-165.9-178.800000113.4V365 E408G361-V365 WeakPolarHBondContact O-CG2 3.43Å; G361-E408 PolarHBondContact N-OE2 3.09Å
362G96.1Very high97.4Very high62 Ų6251 Ų5164%0.63927%0.273SS*.SBendtrans100.818017800000114.7G364 V365G362-G364 PolarHBondContact O-N 3.19Å; G362-V365 PolarHBondContact O-N 3.5Å
363F97Very high97.4Very high170 Ų17052.7 Ų52.775%0.74629%0.286SS*.THydrogen-bonded Turntrans-66.8123.1-173.8179.5-129.4000111.6V365F363-V365 VanDerWaalsContact C-N 3.33Å
364G98Very high97.3Very high14 Ų1448.3 Ų48.314%0.14428%0.277CS..THydrogen-bonded Turntrans80.76.9-17900000114.7G362 C390 Y391G362-G364 PolarHBondContact O-N 3.19Å; G364-C390 CarbonylContact O-C 3.58Å; G364-C390 WeakPolarHBondContact O-CA 3.38Å; G364-Y391 PolarHBondContact O-N 3.3Å
365V98.7Very high97.2Very high32 Ų3248.7 Ų48.719%0.19428%0.278CS..EExtended strand (participates in β ladder)trans-103.5123.3177.7-177.50000110P360 G361 G362 F363 L388 A405P360-V365 HydrophobicContact CB-CG1 4.29Å; P360-V365 HydrophobicContact CG-CG1 4.39Å; G361-V365 WeakPolarHBondContact O-CG2 3.43Å; G362-V365 PolarHBondContact O-N 3.5Å; F363-V365 VanDerWaalsContact C-N 3.33Å; V365-L388 HydrophobicContact CG1-CD1 3.84Å; V365-A405 HydrophobicContact CG1-CB 4Å; V365-A405 HydrophobicContact CG2-CB 4.23Å
366R98.4Very high97.1Very high46 Ų4648 Ų4817%0.17427%0.274CS..EExtended strand (participates in β ladder)trans-119.9126.5175.7170.6-179.5178.9177.5-3.2108.9E301 M302 E368 I389E301-R366 IonicContact OE2-CZ 3.97Å; E301-R366 IonicContact OE2-NH1 3.94Å; E301-R366 PolarHBondContact OE2-NH1 2.82Å; E301-R366 IonicContact OE2-NH2 3.2Å; E301-R366 PolarHBondContact OE2-NH2 2.78Å; M302-R366 HydrophobicContact SD-CB 4.42Å; R366-E368 HydrophobicContact CG-CG 4.15Å; R366-E368 IonicContact CZ-OE1 3.4Å; R366-E368 IonicContact NE-OE1 3.75Å; R366-E368 PolarHBondContact NE-OE1 3.01Å; R366-E368 VanDerWaalsContact NH2-CD 3.3Å; R366-E368 IonicContact NH2-OE1 3.98Å; R366-E368 PolarHBondContact NH2-OE1 2.85Å; R366-E368 IonicContact NH2-OE2 2.98Å; R366-I389 HydrophobicContact CB-CB 4.19Å; R366-I389 HydrophobicContact CG-CD1 4.14Å; R366-I389 PolarHBondContact N-O 3.43Å; R366-I389 PolarHBondContact O-N 3.06Å
367W98.3Very high97.1Very high41 Ų4142 Ų4216%0.15525%0.252CS..EExtended strand (participates in β ladder)trans-113.8121.4175.1175-110.6000110.3I339 F357 A359 I371 L388 L409I339-W367 HydrophobicContact CB-CH2 4.08Å; I339-W367 HydrophobicContact CB-CZ3 4.26Å; I339-W367 HydrophobicContact CG1-CH2 4Å; I339-W367 HydrophobicContact CG1-CZ3 3.69Å; I339-W367 HydrophobicContact CG2-CH2 4.31Å; F357-W367 HydrophobicContact CE2-CZ2 4.16Å; F357-W367 HydrophobicContact CZ-CZ2 4.32Å; F357-W367 AromaticContact CZ-NE1 3.44Å; A359-W367 HydrophobicContact CB-CG 4.25Å; W367-I371 HydrophobicContact CZ2-CD1 4.1Å; W367-L388 HydrophobicContact CE3-CB 3.94Å; W367-L388 HydrophobicContact CE3-CD1 4.09Å; W367-L388 HydrophobicContact CZ3-CB 3.97Å; W367-L409 HydrophobicContact CH2-CD1 4.12Å; W367-L409 HydrophobicContact CH2-CD2 4.2Å; W367-L409 HydrophobicContact CZ2-CD1 4.31Å; W367-L409 HydrophobicContact CZ3-CD1 4.38Å; W367-L409 HydrophobicContact CZ3-CD2 4.14Å
368E98Very high96.9Very high9 Ų940.3 Ų40.34%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-113.9111.5175.1-55.1-143.5129.900110.5E12 R16 P298 R366 G386 K387 I389E12-E368 WeakPolarHBondContact OE2-CB 3.45Å; R16-E368 WeakPolarHBondContact CD-OE1 3.47Å; R16-E368 IonicContact NE-OE1 3.62Å; P298-E368 WeakPolarHBondContact CG-OE2 3.26Å; R366-E368 HydrophobicContact CG-CG 4.15Å; R366-E368 IonicContact CZ-OE1 3.4Å; R366-E368 IonicContact NE-OE1 3.75Å; R366-E368 PolarHBondContact NE-OE1 3.01Å; R366-E368 VanDerWaalsContact NH2-CD 3.3Å; R366-E368 IonicContact NH2-OE1 3.98Å; R366-E368 PolarHBondContact NH2-OE1 2.85Å; R366-E368 IonicContact NH2-OE2 2.98Å; E368-G386 CarbonylContact O-C 3.57Å; E368-G386 WeakPolarHBondContact O-CA 3.36Å; E368-K387 HydrophobicContact CB-CB 4.38Å; E368-K387 PolarHBondContact N-O 3.44Å; E368-K387 PolarHBondContact O-N 2.89Å; E368-K387 WeakPolarHBondContact OE2-CE 3.26Å; E368-K387 IonicContact OE2-NZ 2.71Å; E368-K387 PolarHBondContact OE2-NZ 2.92Å; E368-I389 HydrophobicContact CG-CD1 3.96Å
369S97.5Very high96.8Very high11 Ų1139.7 Ų39.78%0.07725%0.251CS..EExtended strand (participates in β ladder)trans-161.1158.7-179.2-178.30000111.7L15 I371 I385L15-S369 WeakPolarHBondContact CD2-O 3.36Å; S369-I371 VanDerWaalsContact OG-CG1 3.29Å; S369-I371 WeakPolarHBondContact OG-CG1 3.48Å; S369-I371 PolarHBondContact OG-N 3.48Å; S369-I385 WeakPolarHBondContact CB-O 3.42Å; S369-I385 PolarHBondContact OG-O 3.12Å
370H95.2Very high96.6Very high5 Ų544.4 Ų44.42%0.02326%0.262CS..  trans-104.4-3.4173.459.3-85.8000113G11 E12 L39 K40 Y375G11-H370 VanDerWaalsContact C-ND1 3.35Å; G11-H370 VanDerWaalsContact CA-ND1 3.28Å; G11-H370 WeakPolarHBondContact CA-ND1 3.24Å; E12-H370 PolarHBondContact N-ND1 3.41Å; E12-H370 VanDerWaalsContact N-ND1 3.2Å; L39-H370 HydrophobicContact CD2-CB 4.26Å; L39-H370 WeakPolarHBondContact CD2-CD2 3.09Å; K40-H370 HydrophobicContact CB-CB 4.37Å; K40-H370 WeakPolarHBondContact CB-O 3.22Å; H370-Y375 AromaticContact CD2-CE1 3.88Å; H370-Y375 AromaticContact NE2-CE1 3.9Å
371I97Very high96.4Very high10 Ų1045.4 Ų45.45%0.05127%0.265CS..  trans-79.6155.9-175.477.4-167.2000111.9I354 F357 W367 S369 Y375 I385 I411I354-I371 HydrophobicContact CD1-CB 3.71Å; I354-I371 HydrophobicContact CD1-CD1 4.04Å; I354-I371 HydrophobicContact CD1-CG1 4.2Å; I354-I371 HydrophobicContact CD1-CG2 3.96Å; F357-I371 HydrophobicContact CD2-CD1 4.08Å; F357-I371 HydrophobicContact CD2-CG1 4.17Å; F357-I371 HydrophobicContact CE1-CG1 4.38Å; F357-I371 HydrophobicContact CE2-CD1 3.95Å; F357-I371 HydrophobicContact CE2-CG1 4.03Å; F357-I371 HydrophobicContact CG-CG1 4.42Å; F357-I371 HydrophobicContact CZ-CD1 4.5Å; F357-I371 HydrophobicContact CZ-CG1 4.13Å; W367-I371 HydrophobicContact CZ2-CD1 4.1Å; S369-I371 VanDerWaalsContact OG-CG1 3.29Å; S369-I371 WeakPolarHBondContact OG-CG1 3.48Å; S369-I371 PolarHBondContact OG-N 3.48Å; I371-Y375 HydrophobicContact CB-CD1 4.17Å; I371-Y375 HydrophobicContact CG2-CD1 3.92Å; I371-Y375 HydrophobicContact CG2-CE1 4.14Å; I371-I385 HydrophobicContact CD1-CB 4.38Å; I371-I385 HydrophobicContact CD1-CD1 4.16Å; I371-I385 HydrophobicContact CD1-CG1 4.49Å; I371-I385 HydrophobicContact CG2-CB 3.78Å; I371-I385 HydrophobicContact CG2-CG2 4.15Å; I371-I411 HydrophobicContact CD1-CD1 3.86Å; I371-I411 HydrophobicContact CD1-CG1 4.32Å
372Y96.1Very high96.3Very high64 Ų6448 Ų4825%0.25127%0.27SS..  trans-154.8161.9173.355.6-86.5000109D38 K40 G374 Y375D38-Y372 PolarHBondContact O-OH 2.61Å; K40-Y372 HydrophobicContact CD-CD1 4.31Å; Y372-G374 PolarHBondContact O-N 3.17Å; Y372-Y375 HydrophobicContact CE1-CD2 4.11Å; Y372-Y375 HydrophobicContact CE1-CG 4.26Å; Y372-Y375 WeakPolarHBondContact O-CB 3.46Å; Y372-Y375 PolarHBondContact O-N 3.02Å
373A96.9Very high96.3Very high57 Ų5746.5 Ų46.547%0.47125%0.251SS..THydrogen-bonded Turntrans-60129.117700000110.6F357F357-A373 HydrophobicContact CB-CB 4.34Å
374G95.9Very high96.3Very high35 Ų3539.4 Ų39.436%0.36122%0.22SC..THydrogen-bonded Turntrans94.9-13.5-17400000114.8I354 Y372I354-G374 WeakPolarHBondContact O-CA 3.15Å; I354-G374 PolarHBondContact O-N 2.85Å; Y372-G374 PolarHBondContact O-N 3.17Å
375Y95.9Very high96.3Very high8 Ų838.8 Ų38.83%0.03121%0.213CC..  trans-66.8140.8174.3178.1-116.9000111.2L39 I354 H370 I371 Y372 V377 P378L39-Y375 HydrophobicContact CD2-CE1 4.33Å; L39-Y375 HydrophobicContact CD2-CE2 3.69Å; L39-Y375 VanDerWaalsContact CD2-CZ 3.49Å; L39-Y375 WeakPolarHBondContact CD2-OH 3.21Å; L39-Y375 HydrophobicContact CG-CE2 4.42Å; I354-Y375 HydrophobicContact CD1-CD1 4.26Å; I354-Y375 PolarHBondContact N-O 2.73Å; H370-Y375 AromaticContact CD2-CE1 3.88Å; H370-Y375 AromaticContact NE2-CE1 3.9Å; I371-Y375 HydrophobicContact CB-CD1 4.17Å; I371-Y375 HydrophobicContact CG2-CD1 3.92Å; I371-Y375 HydrophobicContact CG2-CE1 4.14Å; Y372-Y375 HydrophobicContact CE1-CD2 4.11Å; Y372-Y375 HydrophobicContact CE1-CG 4.26Å; Y372-Y375 WeakPolarHBondContact O-CB 3.46Å; Y372-Y375 PolarHBondContact O-N 3.02Å; Y375-V377 HydrophobicContact CD1-CG2 4.21Å; Y375-V377 HydrophobicContact CE1-CG2 4.02Å; Y375-P378 VanDerWaalsContact OH-CD 3.23Å; Y375-P378 WeakPolarHBondContact OH-CD 3.38Å
376T96.6Very high96.2Very high80 Ų8037.3 Ų37.349%0.49120%0.204SC..EExtended strand (participates in β ladder)trans-106.1114.5175-59.60000109.4G352 P378G352-T376 CarbonylContact O-C 3.6Å; G352-T376 WeakPolarHBondContact O-CA 3.24Å; T376-P378 WeakPolarHBondContact O-CD 3.36Å
377V96.7Very high96.3Very high9 Ų935.1 Ų35.16%0.05520%0.196CC..EExtended strand (participates in β ladder)trans-68.6117.8175-177.60000108.8A341 P351 G352 I354 Y375 I385 I414A341-V377 HydrophobicContact CB-CG1 4Å; P351-V377 VanDerWaalsContact CB-O 3.25Å; P351-V377 WeakPolarHBondContact CB-O 3.33Å; G352-V377 PolarHBondContact N-O 3.06Å; G352-V377 VanDerWaalsContact N-O 3.14Å; G352-V377 PolarHBondContact O-N 3.28Å; I354-V377 HydrophobicContact CD1-CG2 4Å; I354-V377 HydrophobicContact CG1-CG2 4.29Å; Y375-V377 HydrophobicContact CD1-CG2 4.21Å; Y375-V377 HydrophobicContact CE1-CG2 4.02Å; V377-I385 HydrophobicContact CG1-CG2 4.08Å; V377-I385 HydrophobicContact CG2-CG2 3.9Å; V377-I414 HydrophobicContact CG2-CD1 3.82Å
378P95.2Very high96.3Very high15 Ų1533.1 Ų33.110%0.09719%0.189CC..  trans-74.9151.5-177.829.7-36.1000112.2Y375 T376 Y380 Y381Y375-P378 VanDerWaalsContact OH-CD 3.23Å; Y375-P378 WeakPolarHBondContact OH-CD 3.38Å; T376-P378 WeakPolarHBondContact O-CD 3.36Å; P378-Y380 VanDerWaalsContact C-N 3.27Å; P378-Y380 HydrophobicContact CB-CD2 3.81Å; P378-Y380 HydrophobicContact CB-CE2 4.41Å; P378-Y380 PolarHBondContact O-N 3.49Å; P378-Y381 HydrophobicContact CB-CD2 4.31Å; P378-Y381 HydrophobicContact CB-CE2 4.44Å; P378-Y381 HydrophobicContact CG-CD2 3.68Å; P378-Y381 HydrophobicContact CG-CE2 4.04Å
379P95.1Very high96.3Very high87 Ų8732.7 Ų32.757%0.56519%0.187SC*.THydrogen-bonded Turntrans-81.70.1177.134.9-37.8000113.9P351P351-P379 HydrophobicContact CB-CB 4.06Å; P351-P379 HydrophobicContact CG-CB 3.87Å
380Y93.9Very high96.4Very high137 Ų13732.2 Ų32.254%0.53718%0.183SC..THydrogen-bonded Turntrans-90.6-13.9-165.7-53-64.4000114.9A35 A54 P378A35-Y380 HydrophobicContact CB-CD2 3.85Å; A35-Y380 HydrophobicContact CB-CE2 3.98Å; A54-Y380 HydrophobicContact CB-CD1 4.06Å; A54-Y380 HydrophobicContact CB-CD2 3.53Å; A54-Y380 HydrophobicContact CB-CE1 4.16Å; A54-Y380 HydrophobicContact CB-CE2 3.64Å; A54-Y380 HydrophobicContact CB-CG 3.74Å; P378-Y380 VanDerWaalsContact C-N 3.27Å; P378-Y380 HydrophobicContact CB-CD2 3.81Å; P378-Y380 HydrophobicContact CB-CE2 4.41Å; P378-Y380 PolarHBondContact O-N 3.49Å
381Y94.2Very high96.6Very high29 Ų2934.4 Ų34.411%0.11419%0.191CC..SBendtrans-129.2-177.5-169.7-50.5-63.5000110.7R10 S33 A35 D36 A54 Y60 F84 P378R10-Y381 VanDerWaalsContact CZ-CG 3.47Å; R10-Y381 VanDerWaalsContact NE-CD2 3.33Å; R10-Y381 VanDerWaalsContact NH1-CD2 3.33Å; S33-Y381 VanDerWaalsContact CB-OH 3.23Å; S33-Y381 WeakPolarHBondContact CB-OH 3.26Å; S33-Y381 PolarHBondContact OG-OH 2.62Å; A35-Y381 HydrophobicContact CB-CE2 4.41Å; D36-Y381 VanDerWaalsContact OD2-CE2 3.24Å; D36-Y381 WeakPolarHBondContact OD2-CE2 3.29Å; A54-Y381 WeakPolarHBondContact O-CE1 3.25Å; A54-Y381 PolarHBondContact O-OH 3.36Å; Y60-Y381 AromaticContact CD2-CE1 3.86Å; Y60-Y381 HydrophobicContact CD2-CE1 3.86Å; Y60-Y381 AromaticContact CE2-CE1 3.85Å; Y60-Y381 HydrophobicContact CE2-CE1 3.85Å; Y60-Y381 HydrophobicContact CE2-CE2 4.48Å; Y60-Y381 AromaticContact CE2-CZ 3.74Å; F84-Y381 HydrophobicContact CZ-CD1 4.46Å; P378-Y381 HydrophobicContact CB-CD2 4.31Å; P378-Y381 HydrophobicContact CB-CE2 4.44Å; P378-Y381 HydrophobicContact CG-CD2 3.68Å; P378-Y381 HydrophobicContact CG-CE2 4.04Å
382D91.8Very high96.6Very high86 Ų8633.9 Ų33.946%0.4619%0.189SC..  trans-58.3151.2172.769.297.6000111.2M384D382-M384 PolarHBondContact O-N 2.83Å; D382-M384 WeakPolarHBondContact OD1-CB 3.42Å; D382-M384 PolarHBondContact OD1-N 3.49Å; D382-M384 VanDerWaalsContact OD1-N 3.15Å
383S95.1Very high96.7Very high32 Ų3236.5 Ų36.522%0.22420%0.203CC..  trans-79.71-175.753.80000113.2N340 A341 I385N340-S383 CarbonylContact C-O 3.59Å; N340-S383 WeakPolarHBondContact CA-O 3.13Å; A341-S383 PolarHBondContact N-O 2.78Å; A341-S383 WeakPolarHBondContact O-CB 3.28Å; S383-I385 PolarHBondContact O-N 3.07Å
384M97.2Very high96.8Very high20 Ų2037.3 Ų37.310%0.09920%0.2CC..EExtended strand (participates in β ladder)trans-70.5119.2-176.9-167.1173.961.500110.5E12 Y82 V295 R338 N340 D382 K387E12-M384 HydrophobicContact CG-CE 4.44Å; Y82-M384 HydrophobicContact CE2-CE 4.19Å; Y82-M384 WeakPolarHBondContact OH-CE 3.39Å; V295-M384 HydrophobicContact CG1-CE 3.83Å; V295-M384 HydrophobicContact CG1-SD 3.68Å; V295-M384 HydrophobicContact CG2-CE 4.45Å; R338-M384 HydrophobicContact CB-SD 4.44Å; R338-M384 HydrophobicContact CG-SD 4.42Å; N340-M384 VanDerWaalsContact OD1-CA 3.24Å; N340-M384 WeakPolarHBondContact OD1-CA 3.36Å; N340-M384 WeakPolarHBondContact OD1-CB 3.13Å; D382-M384 PolarHBondContact O-N 2.83Å; D382-M384 WeakPolarHBondContact OD1-CB 3.42Å; D382-M384 PolarHBondContact OD1-N 3.49Å; D382-M384 VanDerWaalsContact OD1-N 3.15Å; M384-K387 HydrophobicContact SD-CG 4.31Å
385I97.9Very high96.9Very high2 Ų237 Ų371%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-106.2-20-179.555.4174.5000111.8I339 A341 S369 I371 V377 S383 I411 I414 T416I339-I385 HydrophobicContact CB-CG1 4.48Å; I339-I385 HydrophobicContact CG2-CD1 4.12Å; I339-I385 HydrophobicContact CG2-CG1 3.96Å; I339-I385 VanDerWaalsContact O-CG1 3.25Å; I339-I385 WeakPolarHBondContact O-CG1 3.48Å; I339-I385 PolarHBondContact O-N 3.4Å; A341-I385 HydrophobicContact CB-CD1 4.44Å; A341-I385 HydrophobicContact CB-CG2 3.92Å; S369-I385 WeakPolarHBondContact CB-O 3.42Å; S369-I385 PolarHBondContact OG-O 3.12Å; I371-I385 HydrophobicContact CD1-CB 4.38Å; I371-I385 HydrophobicContact CD1-CD1 4.16Å; I371-I385 HydrophobicContact CD1-CG1 4.49Å; I371-I385 HydrophobicContact CG2-CB 3.78Å; I371-I385 HydrophobicContact CG2-CG2 4.15Å; V377-I385 HydrophobicContact CG1-CG2 4.08Å; V377-I385 HydrophobicContact CG2-CG2 3.9Å; S383-I385 PolarHBondContact O-N 3.07Å; I385-I411 HydrophobicContact CD1-CD1 3.76Å; I385-I411 HydrophobicContact CD1-CG2 4.47Å; I385-I414 HydrophobicContact CD1-CD1 4.16Å; I385-T416 HydrophobicContact CD1-CG2 4Å
386G98.1Very high97Very high0 Ų042 Ų420%022%0.215CC..EExtended strand (participates in β ladder)trans-175.4179172.300000113.4I339 E368I339-G386 WeakPolarHBondContact CA-O 3.39Å; I339-G386 PolarHBondContact N-O 3.15Å; I339-G386 PolarHBondContact O-N 3.42Å; I339-G386 VanDerWaalsContact O-N 3.15Å; E368-G386 CarbonylContact O-C 3.57Å; E368-G386 WeakPolarHBondContact O-CA 3.36Å
387K98.7Very high97.1Very high0 Ų039.9 Ų39.90%020%0.201CC..EExtended strand (participates in β ladder)trans-127.7127.2175.9-52.1174.6-48.2-1680107.2E12 V295 H297 P298 E336 E368 M384 I389E12-K387 VanDerWaalsContact CD-NZ 3.3Å; E12-K387 HydrophobicContact CG-CD 4.4Å; E12-K387 HydrophobicContact CG-CG 4.48Å; E12-K387 WeakPolarHBondContact OE1-CD 3.26Å; E12-K387 WeakPolarHBondContact OE1-CE 3.1Å; E12-K387 IonicContact OE1-NZ 3.56Å; E12-K387 PolarHBondContact OE1-NZ 2.97Å; E12-K387 WeakPolarHBondContact OE2-CE 3.22Å; E12-K387 IonicContact OE2-NZ 3.75Å; E12-K387 PolarHBondContact OE2-NZ 2.67Å; V295-K387 HydrophobicContact CG1-CD 3.56Å; V295-K387 HydrophobicContact CG1-CG 4.26Å; V295-K387 WeakPolarHBondContact O-CD 3.41Å; V295-K387 PolarHBondContact O-NZ 3.36Å; H297-K387 PolarHBondContact CE1-NZ 3.04Å; P298-K387 VanDerWaalsContact CG-NZ 3.32Å; E336-K387 HydrophobicContact CG-CB 4.24Å; E336-K387 WeakPolarHBondContact OE1-CD 3.37Å; E368-K387 HydrophobicContact CB-CB 4.38Å; E368-K387 PolarHBondContact N-O 3.44Å; E368-K387 PolarHBondContact O-N 2.89Å; E368-K387 WeakPolarHBondContact OE2-CE 3.26Å; E368-K387 IonicContact OE2-NZ 2.71Å; E368-K387 PolarHBondContact OE2-NZ 2.92Å; M384-K387 HydrophobicContact SD-CG 4.31Å; K387-I389 HydrophobicContact CB-CD1 3.8Å
388L98.8Very high97.2Very high0 Ų039.4 Ų39.40%020%0.199CC..EExtended strand (participates in β ladder)trans-103.2121172.1-178.856.5000107.9E336 C337 I339 P360 V365 W367 M402 A405 L406E336-L388 CarbonylContact C-O 3.57Å; E336-L388 WeakPolarHBondContact CA-O 3.46Å; C337-L388 PolarHBondContact N-O 3.35Å; C337-L388 PolarHBondContact O-N 3.44Å; I339-L388 HydrophobicContact CG1-CB 4.33Å; P360-L388 HydrophobicContact CB-CD1 4.45Å; P360-L388 HydrophobicContact CG-CD1 3.44Å; P360-L388 VanDerWaalsContact CG-CD1 3.44Å; P360-L388 HydrophobicContact CG-CD2 4.17Å; P360-L388 HydrophobicContact CG-CG 4.45Å; V365-L388 HydrophobicContact CG1-CD1 3.84Å; W367-L388 HydrophobicContact CE3-CB 3.94Å; W367-L388 HydrophobicContact CE3-CD1 4.09Å; W367-L388 HydrophobicContact CZ3-CB 3.97Å; L388-M402 HydrophobicContact CB-SD 4.27Å; L388-M402 HydrophobicContact CD2-SD 3.66Å; L388-M402 HydrophobicContact CG-CE 4.3Å; L388-M402 HydrophobicContact CG-SD 3.65Å; L388-M402 WeakPolarHBondContact O-CE 3.29Å; L388-A405 HydrophobicContact CD1-CB 4.18Å; L388-A405 HydrophobicContact CD2-CB 3.83Å; L388-A405 HydrophobicContact CG-CB 4.38Å; L388-L406 HydrophobicContact CD2-CD2 3.77Å; L388-L406 HydrophobicContact CD2-CG 3.93Å
389I98.8Very high97.3Very high0 Ų038.9 Ų38.90%020%0.195CC..EExtended strand (participates in β ladder)trans-121126.8-176.7-53.1103.9000108.8P298 V299 M302 V335 E336 R366 E368 K387P298-I389 HydrophobicContact CB-CD1 3.79Å; P298-I389 HydrophobicContact CB-CG1 3.82Å; P298-I389 HydrophobicContact CB-CG2 4.42Å; P298-I389 HydrophobicContact CG-CD1 4.05Å; P298-I389 HydrophobicContact CG-CG1 4.42Å; V299-I389 HydrophobicContact CG1-CG2 4.18Å; M302-I389 HydrophobicContact CG-CG2 3.82Å; V335-I389 CarbonylContact O-C 3.5Å; V335-I389 VanDerWaalsContact O-CA 3.32Å; V335-I389 WeakPolarHBondContact O-CA 3.36Å; E336-I389 HydrophobicContact CB-CG1 3.85Å; E336-I389 HydrophobicContact CG-CG1 3.78Å; E336-I389 WeakPolarHBondContact OE2-CG1 3.15Å; R366-I389 HydrophobicContact CB-CB 4.19Å; R366-I389 HydrophobicContact CG-CD1 4.14Å; R366-I389 PolarHBondContact N-O 3.43Å; R366-I389 PolarHBondContact O-N 3.06Å; E368-I389 HydrophobicContact CG-CD1 3.96Å; K387-I389 HydrophobicContact CB-CD1 3.8Å
390C98.9Very high97.5Very high0 Ų037 Ų370%019%0.186CC..EExtended strand (participates in β ladder)trans-120.3130.2176.7-71.20000110.2A334 V335 G364 R401 M402A334-C390 CarbonylContact C-O 3.59Å; A334-C390 VanDerWaalsContact CA-O 3.27Å; A334-C390 WeakPolarHBondContact CA-O 3.45Å; V335-C390 PolarHBondContact N-O 3.34Å; V335-C390 PolarHBondContact O-N 2.86Å; G364-C390 CarbonylContact O-C 3.58Å; G364-C390 WeakPolarHBondContact O-CA 3.38Å; C390-R401 HydrophobicContact CB-CB 4.02Å; C390-M402 HydrophobicContact CB-CB 4.03Å; C390-M402 HydrophobicContact CB-CE 3.92Å; C390-M402 WeakPolarHBondContact SG-CA 3.4Å
391Y98.8Very high97.7Very high51 Ų5132.5 Ų32.520%0.217%0.169CC..EExtended strand (participates in β ladder)trans-107.9143.3175.9173.1-95.8000110.4M302 I303 R331 H333 A334 G364 R401M302-Y391 HydrophobicContact CB-CD2 4.18Å; M302-Y391 HydrophobicContact CE-CG 4.06Å; I303-Y391 HydrophobicContact CG2-CE2 4.41Å; R331-Y391 VanDerWaalsContact O-CE2 3.22Å; R331-Y391 WeakPolarHBondContact O-CE2 3.45Å; R331-Y391 PolarHBondContact O-OH 3.24Å; R331-Y391 VanDerWaalsContact O-OH 3.13Å; H333-Y391 CarbonylContact O-C 3.53Å; H333-Y391 VanDerWaalsContact O-CA 3.31Å; H333-Y391 WeakPolarHBondContact O-CA 3.48Å; H333-Y391 WeakPolarHBondContact O-CD2 3.3Å; A334-Y391 HydrophobicContact CB-CD2 4.42Å; G364-Y391 PolarHBondContact O-N 3.3Å; Y391-R401 WeakPolarHBondContact O-CD 3.41Å; Y391-R401 PolarHBondContact O-NH1 2.82Å
392G98.6Very high97.9Very high0 Ų031.1 Ų31.10%016%0.163CC..EExtended strand (participates in β ladder)trans-141.7160.3173.400000111.6G332 H333 N394G332-G392 CarbonylContact C-O 3.4Å; G332-G392 WeakPolarHBondContact CA-O 3.46Å; H333-G392 PolarHBondContact N-O 3.41Å; H333-G392 PolarHBondContact O-N 3.39Å; G392-N394 PolarHBondContact O-N 2.91Å
393E98Very high98.2Very high119 Ų11929.3 Ų29.356%0.55615%0.151SC*.SBendtrans-61.6-19.4171.355.5-91.3-150.600113G332 V397 R401G332-E393 WeakPolarHBondContact CA-O 3.13Å; E393-V397 HydrophobicContact CG-CG2 4.24Å; E393-V397 WeakPolarHBondContact OE2-CG1 3.27Å; E393-R401 IonicContact OE2-CZ 4Å; E393-R401 IonicContact OE2-NH1 2.97Å; E393-R401 IonicContact OE2-NH2 3.73Å; E393-R401 PolarHBondContact OE2-NH2 3.39Å
394N98.1Very high98.4Very high73 Ų7332.8 Ų32.839%0.3917%0.167SC..SBendtrans-150173.7169.761.353.2000109.9G392 D396 V397 A398G392-N394 PolarHBondContact O-N 2.91Å; N394-D396 PolarHBondContact O-N 2.83Å; N394-D396 PolarHBondContact OD1-N 2.82Å; N394-V397 PolarHBondContact O-N 3.46Å; N394-V397 WeakPolarHBondContact OD1-CG2 3.4Å; N394-V397 PolarHBondContact OD1-N 3.24Å; N394-A398 PolarHBondContact O-N 2.92Å
395R97.9Very high98.4Very high30 Ų3032 Ų3211%0.11316%0.164CC..Hα-helixtrans-59.9-43.5-177.1-172.7172-169.6-93.1-2.1113.4E242 H333 V397 A398 I399 F430 Q431E242-R395 IonicContact OE1-CZ 3.86Å; E242-R395 IonicContact OE1-NE 3.53Å; E242-R395 PolarHBondContact OE1-NE 3.23Å; E242-R395 IonicContact OE1-NH2 3.34Å; E242-R395 PolarHBondContact OE1-NH2 3.47Å; E242-R395 IonicContact OE2-CZ 3.85Å; E242-R395 IonicContact OE2-NE 2.71Å; E242-R395 PolarHBondContact OE2-NE 3.39Å; E242-R395 IonicContact OE2-NH2 2.77Å; E242-R395 PolarHBondContact OE2-NH2 3.08Å; H333-R395 HydrophobicContact CB-CB 4.3Å; R395-V397 VanDerWaalsContact C-N 3.32Å; R395-V397 PolarHBondContact O-N 2.84Å; R395-A398 WeakPolarHBondContact O-CB 3.48Å; R395-A398 PolarHBondContact O-N 2.88Å; R395-I399 HydrophobicContact CG-CD1 3.94Å; R395-I399 HydrophobicContact CG-CG1 4.47Å; R395-I399 WeakPolarHBondContact O-CG1 3.49Å; R395-I399 PolarHBondContact O-N 3.24Å; R395-F430 VanDerWaalsContact CZ-O 3.25Å; R395-F430 PolarHBondContact NH1-O 3.01Å; R395-F430 PolarHBondContact NH2-O 3.1Å; R395-Q431 PolarHBondContact NH1-O 2.68Å
396D98.2Very high98.5Very high113 Ų11332 Ų3260%0.60416%0.164SC*.Hα-helixtrans-62.6-41.3-178.6-63.1-23.4000111.3N394 I399 A400N394-D396 PolarHBondContact O-N 2.83Å; N394-D396 PolarHBondContact OD1-N 2.82Å; D396-I399 PolarHBondContact O-N 3.46Å; D396-A400 VanDerWaalsContact O-CB 3.3Å; D396-A400 WeakPolarHBondContact O-CB 3.48Å; D396-A400 PolarHBondContact O-N 2.86Å
397V98.4Very high98.5Very high34 Ų3438.4 Ų38.421%0.20619%0.194CC..Hα-helixtrans-67.6-40.11761760000111.3E393 N394 R395 A400 R401E393-V397 HydrophobicContact CG-CG2 4.24Å; E393-V397 WeakPolarHBondContact OE2-CG1 3.27Å; N394-V397 PolarHBondContact O-N 3.46Å; N394-V397 WeakPolarHBondContact OD1-CG2 3.4Å; N394-V397 PolarHBondContact OD1-N 3.24Å; R395-V397 VanDerWaalsContact C-N 3.32Å; R395-V397 PolarHBondContact O-N 2.84Å; V397-A400 PolarHBondContact O-N 3.02Å; V397-R401 HydrophobicContact CG1-CG 4.43Å; V397-R401 WeakPolarHBondContact O-CB 3.49Å; V397-R401 WeakPolarHBondContact O-CG 3.18Å; V397-R401 PolarHBondContact O-N 3.43Å
398A98.8Very high98.4Very high0 Ų042.2 Ų42.20%021%0.212CC..Hα-helixtrans-61.6-44.3175.800000111.5H333 V335 N394 R395 R401 M402H333-A398 HydrophobicContact CB-CB 4.34Å; H333-A398 WeakPolarHBondContact O-CB 3.28Å; V335-A398 HydrophobicContact CG2-CB 4.06Å; N394-A398 PolarHBondContact O-N 2.92Å; R395-A398 WeakPolarHBondContact O-CB 3.48Å; R395-A398 PolarHBondContact O-N 2.88Å; A398-R401 PolarHBondContact O-N 2.9Å; A398-M402 WeakPolarHBondContact O-CB 3.22Å; A398-M402 PolarHBondContact O-N 2.78Å
399I98.6Very high98.4Very high4 Ų442.8 Ų42.82%0.02122%0.215CC..Hα-helixtrans-65-43.6175.7-68.4172000110.9V335 R395 D396 R401 M402 K403 M425 F430 Q431V335-I399 HydrophobicContact CG2-CG1 4.21Å; R395-I399 HydrophobicContact CG-CD1 3.94Å; R395-I399 HydrophobicContact CG-CG1 4.47Å; R395-I399 WeakPolarHBondContact O-CG1 3.49Å; R395-I399 PolarHBondContact O-N 3.24Å; D396-I399 PolarHBondContact O-N 3.46Å; I399-R401 VanDerWaalsContact C-N 3.34Å; I399-R401 PolarHBondContact O-N 2.91Å; I399-M402 WeakPolarHBondContact O-CB 3.38Å; I399-M402 PolarHBondContact O-N 3.33Å; I399-K403 HydrophobicContact CG2-CD 4.47Å; I399-K403 WeakPolarHBondContact O-CG 3.19Å; I399-K403 PolarHBondContact O-N 2.98Å; I399-M425 HydrophobicContact CG2-SD 4.29Å; I399-F430 HydrophobicContact CD1-CE1 4.07Å; I399-F430 HydrophobicContact CG1-CE1 4.31Å; I399-Q431 HydrophobicContact CD1-CG 4.42Å; I399-Q431 HydrophobicContact CG2-CG 4.41Å
400A98.1Very high98.4Very high46 Ų4645.3 Ų45.338%0.3823%0.227SC..Hα-helixtrans-61.9-41.9177.900000111.9D396 V397 K403 N404D396-A400 VanDerWaalsContact O-CB 3.3Å; D396-A400 WeakPolarHBondContact O-CB 3.48Å; D396-A400 PolarHBondContact O-N 2.86Å; V397-A400 PolarHBondContact O-N 3.02Å; A400-K403 PolarHBondContact O-N 3.07Å; A400-N404 PolarHBondContact O-N 2.82Å
401R98.5Very high98.3Very high44 Ų4446 Ų4617%0.16623%0.231CC..Hα-helixtrans-63.1-42.2172.9-73.7175.9-173.2163.612.7111.3C390 Y391 E393 V397 A398 I399 K403 N404 A405C390-R401 HydrophobicContact CB-CB 4.02Å; Y391-R401 WeakPolarHBondContact O-CD 3.41Å; Y391-R401 PolarHBondContact O-NH1 2.82Å; E393-R401 IonicContact OE2-CZ 4Å; E393-R401 IonicContact OE2-NH1 2.97Å; E393-R401 IonicContact OE2-NH2 3.73Å; E393-R401 PolarHBondContact OE2-NH2 3.39Å; V397-R401 HydrophobicContact CG1-CG 4.43Å; V397-R401 WeakPolarHBondContact O-CB 3.49Å; V397-R401 WeakPolarHBondContact O-CG 3.18Å; V397-R401 PolarHBondContact O-N 3.43Å; A398-R401 PolarHBondContact O-N 2.9Å; I399-R401 VanDerWaalsContact C-N 3.34Å; I399-R401 PolarHBondContact O-N 2.91Å; R401-K403 PolarHBondContact O-N 3.37Å; R401-N404 PolarHBondContact O-N 3.04Å; R401-A405 WeakPolarHBondContact O-CB 3.36Å; R401-A405 PolarHBondContact O-N 2.67Å
402M98.8Very high98.3Very high0 Ų046.4 Ų46.40%024%0.237CC..Hα-helixtrans-60.5-43.7176-17360.478.300112.3V335 C337 L388 C390 A398 I399 N404 A405 L406 M425V335-M402 HydrophobicContact CB-CE 4.27Å; V335-M402 HydrophobicContact CG1-CE 4.22Å; V335-M402 WeakPolarHBondContact O-CE 3.38Å; C337-M402 HydrophobicContact CB-CE 4.26Å; C337-M402 HydrophobicContact CB-SD 4.16Å; L388-M402 HydrophobicContact CB-SD 4.27Å; L388-M402 HydrophobicContact CD2-SD 3.66Å; L388-M402 HydrophobicContact CG-CE 4.3Å; L388-M402 HydrophobicContact CG-SD 3.65Å; L388-M402 WeakPolarHBondContact O-CE 3.29Å; C390-M402 HydrophobicContact CB-CB 4.03Å; C390-M402 HydrophobicContact CB-CE 3.92Å; C390-M402 WeakPolarHBondContact SG-CA 3.4Å; A398-M402 WeakPolarHBondContact O-CB 3.22Å; A398-M402 PolarHBondContact O-N 2.78Å; I399-M402 WeakPolarHBondContact O-CB 3.38Å; I399-M402 PolarHBondContact O-N 3.33Å; M402-N404 VanDerWaalsContact C-N 3.33Å; M402-N404 PolarHBondContact O-N 2.81Å; M402-A405 PolarHBondContact O-N 3.48Å; M402-L406 HydrophobicContact CG-CD1 3.85Å; M402-L406 HydrophobicContact CG-CG 4.24Å; M402-L406 WeakPolarHBondContact O-CB 3.37Å; M402-L406 VanDerWaalsContact O-CG 3.28Å; M402-L406 WeakPolarHBondContact O-CG 3.41Å; M402-L406 PolarHBondContact O-N 2.94Å; M402-L406 HydrophobicContact SD-CD1 4.25Å; M402-L406 HydrophobicContact SD-CG 4.08Å; M402-M425 HydrophobicContact CB-CG 4.32Å; M402-M425 HydrophobicContact CB-SD 3.91Å; M402-M425 HydrophobicContact CG-CE 4.45Å; M402-M425 HydrophobicContact CG-CG 3.75Å; M402-M425 HydrophobicContact CG-SD 3.55Å; M402-M425 VanDerWaalsContact CG-SD 3.55Å
403K98.3Very high98.3Very high48 Ų4848.9 Ų48.921%0.20926%0.263CS..Hα-helixtrans-56.7-46.8175.7-72.3177.1-178.5-172.30111.8I399 A400 R401 Q407 M425 N426I399-K403 HydrophobicContact CG2-CD 4.47Å; I399-K403 WeakPolarHBondContact O-CG 3.19Å; I399-K403 PolarHBondContact O-N 2.98Å; A400-K403 PolarHBondContact O-N 3.07Å; R401-K403 PolarHBondContact O-N 3.37Å; K403-Q407 WeakPolarHBondContact O-CG 3.37Å; K403-Q407 PolarHBondContact O-N 3.13Å; K403-M425 VanDerWaalsContact CE-C 3.46Å; K403-M425 WeakPolarHBondContact CE-O 3.35Å; K403-M425 HydrophobicContact CG-CB 3.7Å; K403-M425 PolarHBondContact NZ-O 3.46Å; K403-N426 WeakPolarHBondContact CD-OD1 3.28Å; K403-N426 WeakPolarHBondContact CE-OD1 3.34Å; K403-N426 PolarHBondContact NZ-OD1 3.39Å; K403-N426 VanDerWaalsContact NZ-OD1 3.13Å
404N98.1Very high98.3Very high105 Ų10544 Ų4456%0.56124%0.24SC*.Hα-helixtrans-67.2-45.5179-67.6-18.4000111.6A400 R401 M402 L406 Q407 E408A400-N404 PolarHBondContact O-N 2.82Å; R401-N404 PolarHBondContact O-N 3.04Å; M402-N404 VanDerWaalsContact C-N 3.33Å; M402-N404 PolarHBondContact O-N 2.81Å; N404-L406 VanDerWaalsContact C-N 3.34Å; N404-L406 PolarHBondContact O-N 2.9Å; N404-Q407 WeakPolarHBondContact O-CB 3.26Å; N404-Q407 PolarHBondContact O-N 2.78Å; N404-Q407 VanDerWaalsContact O-N 3.12Å; N404-E408 PolarHBondContact O-N 3.39Å
405A98.7Very high98.3Very high3 Ų346 Ų463%0.02525%0.246CC..Hα-helixtrans-64.5-36.7-179.300000112.5P360 V365 L388 R401 M402 Q407 E408 L409P360-A405 HydrophobicContact CB-CB 3.91Å; P360-A405 VanDerWaalsContact CB-O 3.3Å; P360-A405 WeakPolarHBondContact CB-O 3.44Å; P360-A405 HydrophobicContact CG-CB 4.38Å; V365-A405 HydrophobicContact CG1-CB 4Å; V365-A405 HydrophobicContact CG2-CB 4.23Å; L388-A405 HydrophobicContact CD1-CB 4.18Å; L388-A405 HydrophobicContact CD2-CB 3.83Å; L388-A405 HydrophobicContact CG-CB 4.38Å; R401-A405 WeakPolarHBondContact O-CB 3.36Å; R401-A405 PolarHBondContact O-N 2.67Å; M402-A405 PolarHBondContact O-N 3.48Å; A405-Q407 VanDerWaalsContact C-N 3.3Å; A405-Q407 PolarHBondContact O-N 2.93Å; A405-E408 PolarHBondContact O-N 3.47Å; A405-L409 PolarHBondContact O-N 2.94Å
406L98.7Very high98.3Very high2 Ų245.6 Ų45.61%0.0125%0.246CC..Hα-helixtrans-65.4-32.2173.7-73.9167.7000112.6I339 L388 M402 N404 V418 Q421 I422 M425I339-L406 HydrophobicContact CD1-CD2 4.02Å; L388-L406 HydrophobicContact CD2-CD2 3.77Å; L388-L406 HydrophobicContact CD2-CG 3.93Å; M402-L406 HydrophobicContact CG-CD1 3.85Å; M402-L406 HydrophobicContact CG-CG 4.24Å; M402-L406 WeakPolarHBondContact O-CB 3.37Å; M402-L406 VanDerWaalsContact O-CG 3.28Å; M402-L406 WeakPolarHBondContact O-CG 3.41Å; M402-L406 PolarHBondContact O-N 2.94Å; M402-L406 HydrophobicContact SD-CD1 4.25Å; M402-L406 HydrophobicContact SD-CG 4.08Å; N404-L406 VanDerWaalsContact C-N 3.34Å; N404-L406 PolarHBondContact O-N 2.9Å; L406-V418 HydrophobicContact CB-CG1 4.43Å; L406-V418 HydrophobicContact CD2-CG1 4.21Å; L406-V418 WeakPolarHBondContact O-CG1 3.4Å; L406-Q421 HydrophobicContact CD1-CB 3.78Å; L406-Q421 HydrophobicContact CD2-CB 3.82Å; L406-Q421 HydrophobicContact CG-CB 4.49Å; L406-I422 HydrophobicContact CB-CD1 4.28Å; L406-I422 HydrophobicContact CB-CG1 3.73Å; L406-I422 HydrophobicContact CD1-CG1 4.07Å; L406-I422 HydrophobicContact CG-CG1 4.47Å; L406-M425 HydrophobicContact CD1-CG 3.81Å
407Q97.5Very high98.3Very high134 Ų13440.2 Ų40.263%0.62622%0.217SC*.Hα-helixtrans-76.3-28.8175.8-69.7174.94.900112.9K403 N404 A405K403-Q407 WeakPolarHBondContact O-CG 3.37Å; K403-Q407 PolarHBondContact O-N 3.13Å; N404-Q407 WeakPolarHBondContact O-CB 3.26Å; N404-Q407 PolarHBondContact O-N 2.78Å; N404-Q407 VanDerWaalsContact O-N 3.12Å; A405-Q407 VanDerWaalsContact C-N 3.3Å; A405-Q407 PolarHBondContact O-N 2.93Å
408E97.7Very high98.3Very high80 Ų8039.2 Ų39.237%0.37421%0.211SC..Hα-helixtrans-78.3-24.8175.6-173.7-179.5-15700112.4P360 G361 N404 A405 I410P360-E408 WeakPolarHBondContact CA-OE2 3.41Å; P360-E408 HydrophobicContact CB-CB 4.12Å; P360-E408 HydrophobicContact CB-CG 4.31Å; G361-E408 PolarHBondContact N-OE2 3.09Å; N404-E408 PolarHBondContact O-N 3.39Å; A405-E408 PolarHBondContact O-N 3.47Å; E408-I410 PolarHBondContact O-N 3.46Å
409L98.6Very high98.3Very high13 Ų1343.8 Ų43.87%0.06824%0.236CC..  trans-68.7115.1-179.7178.563.7000111.3I339 F357 P360 W367 A405 I411 V418I339-L409 HydrophobicContact CD1-CD2 4.38Å; I339-L409 HydrophobicContact CG1-CD2 4.13Å; I339-L409 HydrophobicContact CG2-CD2 4.29Å; F357-L409 HydrophobicContact CE2-CD1 4.13Å; P360-L409 HydrophobicContact CG-CB 4.29Å; W367-L409 HydrophobicContact CH2-CD1 4.12Å; W367-L409 HydrophobicContact CH2-CD2 4.2Å; W367-L409 HydrophobicContact CZ2-CD1 4.31Å; W367-L409 HydrophobicContact CZ3-CD1 4.38Å; W367-L409 HydrophobicContact CZ3-CD2 4.14Å; A405-L409 PolarHBondContact O-N 2.94Å; L409-I411 HydrophobicContact CD1-CD1 4.01Å; L409-I411 HydrophobicContact CD1-CG1 4.02Å; L409-I411 HydrophobicContact CD2-CD1 4.23Å; L409-I411 HydrophobicContact CG-CD1 4.21Å; L409-I411 HydrophobicContact CG-CG1 4.27Å; L409-V418 HydrophobicContact CD2-CG2 3.68Å; L409-V418 HydrophobicContact CG-CG2 4.47Å
410I98.2Very high98.2Very high52 Ų5243.7 Ų43.727%0.26724%0.235SC..EExtended strand (participates in β ladder)trans-112.4122.4176.2-58.8172.3000109.1R356 F357 H358 E408R356-I410 HydrophobicContact CG-CG2 4.42Å; F357-I410 CarbonylContact C-O 2.96Å; F357-I410 VanDerWaalsContact CA-O 3.27Å; F357-I410 WeakPolarHBondContact CA-O 3.34Å; H358-I410 HydrophobicContact CB-CB 3.86Å; H358-I410 HydrophobicContact CB-CD1 4.14Å; H358-I410 HydrophobicContact CB-CG1 4.23Å; H358-I410 PolarHBondContact N-O 3.49Å; H358-I410 PolarHBondContact O-N 3Å; E408-I410 PolarHBondContact O-N 3.46Å
411I98.4Very high98.2Very high16 Ų1641.5 Ų41.58%0.08222%0.217CC..EExtended strand (participates in β ladder)trans-136.2102.8171.8-56.6173.3000107.7I339 I354 F357 I371 I385 L409 I414 T416I339-I411 HydrophobicContact CG2-CD1 4.14Å; I354-I411 HydrophobicContact CD1-CG2 4.33Å; I354-I411 HydrophobicContact CG1-CG2 4.26Å; I354-I411 HydrophobicContact CG2-CG2 4.27Å; F357-I411 HydrophobicContact CD2-CG1 4.05Å; F357-I411 HydrophobicContact CE2-CG1 4.43Å; I371-I411 HydrophobicContact CD1-CD1 3.86Å; I371-I411 HydrophobicContact CD1-CG1 4.32Å; I385-I411 HydrophobicContact CD1-CD1 3.76Å; I385-I411 HydrophobicContact CD1-CG2 4.47Å; L409-I411 HydrophobicContact CD1-CD1 4.01Å; L409-I411 HydrophobicContact CD1-CG1 4.02Å; L409-I411 HydrophobicContact CD2-CD1 4.23Å; L409-I411 HydrophobicContact CG-CD1 4.21Å; L409-I411 HydrophobicContact CG-CG1 4.27Å; I411-I414 HydrophobicContact CG2-CD1 4.02Å; I411-I414 HydrophobicContact CG2-CG1 3.86Å; I411-T416 HydrophobicContact CB-CG2 4Å; I411-T416 HydrophobicContact CD1-CG2 4.11Å; I411-T416 HydrophobicContact CG2-CG2 3.91Å
412D98.3Very high98.2Very high58 Ų5841.1 Ų41.131%0.3122%0.218SC..EExtended strand (participates in β ladder)trans-102.3156.9-179.8-66.1-35.3000112I354 T355 R356 I414I354-D412 CarbonylContact C-O 3.54Å; I354-D412 VanDerWaalsContact CA-O 3.26Å; I354-D412 WeakPolarHBondContact CA-O 3.41Å; T355-D412 PolarHBondContact N-O 2.79Å; T355-D412 WeakPolarHBondContact OG1-CB 3.32Å; T355-D412 PolarHBondContact OG1-O 2.87Å; R356-D412 HydrophobicContact CB-CB 3.97Å; R356-D412 WeakPolarHBondContact CB-OD2 3.43Å; R356-D412 IonicContact CZ-OD2 3.18Å; R356-D412 IonicContact NE-OD2 2.7Å; R356-D412 PolarHBondContact NE-OD2 2.85Å; R356-D412 IonicContact NH2-OD1 2.81Å; R356-D412 IonicContact NH2-OD2 3.12Å; R356-D412 PolarHBondContact NH2-OD2 2.89Å; R356-D412 PolarHBondContact O-N 2.78Å; D412-I414 VanDerWaalsContact C-N 3.35Å
413G97.8Very high98.2Very high53 Ų5346 Ų4655%0.54624%0.236SC..SBendtrans94-14.8177.900000114.4K353 T355K353-G413 CarbonylContact O-C 3.5Å; K353-G413 WeakPolarHBondContact O-CA 3.27Å; T355-G413 PolarHBondContact OG1-N 2.88Å
414I98.1Very high98.1Very high17 Ų1744 Ų449%0.08723%0.228CC..SBendtrans-136.1159.6171.459.9174.3000109.7A341 S350 I354 V377 I385 I411 D412 T416A341-I414 HydrophobicContact CB-CD1 3.91Å; S350-I414 WeakPolarHBondContact O-CB 3.18Å; S350-I414 WeakPolarHBondContact O-CG2 3.49Å; I354-I414 HydrophobicContact CD1-CD1 4.2Å; I354-I414 HydrophobicContact CG1-CD1 3.85Å; I354-I414 HydrophobicContact CG1-CG1 4.22Å; V377-I414 HydrophobicContact CG2-CD1 3.82Å; I385-I414 HydrophobicContact CD1-CD1 4.16Å; I411-I414 HydrophobicContact CG2-CD1 4.02Å; I411-I414 HydrophobicContact CG2-CG1 3.86Å; D412-I414 VanDerWaalsContact C-N 3.35Å; I414-T416 HydrophobicContact CD1-CG2 4.48Å; I414-T416 HydrophobicContact CG1-CG2 4.34Å
415K98.4Very high98.1Very high115 Ų11539 Ų3950%0.520%0.202SC..  trans-80.5149166.2-62.4-175.9173.7-1800110.4A341 E342 D343 S350A341-K415 CarbonylContact C-O 3.52Å; A341-K415 WeakPolarHBondContact CA-O 3.14Å; E342-K415 PolarHBondContact N-O 3.38Å; E342-K415 CarbonylContact O-C 3.55Å; D343-K415 HydrophobicContact CB-CD 3.87Å; D343-K415 WeakPolarHBondContact OD2-CD 3.24Å; D343-K415 WeakPolarHBondContact OD2-CE 3.49Å; D343-K415 IonicContact OD2-NZ 3.57Å; D343-K415 PolarHBondContact OD2-NZ 2.87Å; S350-K415 PolarHBondContact OG-N 2.65Å
416T98.4Very high98.1Very high20 Ų2042.8 Ų42.812%0.12322%0.221CC..  trans-134.6159.5175.2670000111.2N340 E342 P344 I385 I411 I414 V418N340-T416 VanDerWaalsContact O-CA 3.23Å; N340-T416 WeakPolarHBondContact O-CA 3.38Å; E342-T416 CarbonylContact O-C 3.36Å; E342-T416 WeakPolarHBondContact O-CA 3.37Å; E342-T416 PolarHBondContact O-N 3.49Å; P344-T416 WeakPolarHBondContact CD-O 3.5Å; I385-T416 HydrophobicContact CD1-CG2 4Å; I411-T416 HydrophobicContact CB-CG2 4Å; I411-T416 HydrophobicContact CD1-CG2 4.11Å; I411-T416 HydrophobicContact CG2-CG2 3.91Å; I414-T416 HydrophobicContact CD1-CG2 4.48Å; I414-T416 HydrophobicContact CG1-CG2 4.34Å; T416-V418 PolarHBondContact O-N 3.04Å; T416-V418 VanDerWaalsContact OG1-CG2 3.28Å; T416-V418 WeakPolarHBondContact OG1-CG2 3.29Å
417N97.8Very high98Very high0 Ų043.5 Ų43.50%023%0.225CC..THydrogen-bonded Turntrans-78.313.717467.9-13.3000114.4R338 I339 N340 E342 D419 L420 Q421R338-N417 PolarHBondContact O-ND2 3.21Å; R338-N417 PolarHBondContact O-OD1 2.97Å; I339-N417 WeakPolarHBondContact CA-OD1 3.36Å; N340-N417 PolarHBondContact N-OD1 3.38Å; N340-N417 PolarHBondContact ND2-ND2 3.49Å; N340-N417 PolarHBondContact O-N 3.42Å; N340-N417 VanDerWaalsContact O-N 3.14Å; E342-N417 HydrophobicContact CG-CB 3.62Å; E342-N417 PolarHBondContact O-N 2.96Å; E342-N417 VanDerWaalsContact OE1-CB 3.22Å; E342-N417 WeakPolarHBondContact OE1-CB 3.49Å; E342-N417 PolarHBondContact OE1-ND2 2.9Å; N417-D419 VanDerWaalsContact C-N 3.26Å; N417-D419 PolarHBondContact O-N 3.29Å; N417-L420 HydrophobicContact CB-CB 4.32Å; N417-L420 WeakPolarHBondContact O-CA 3.26Å; N417-L420 VanDerWaalsContact O-CB 3.31Å; N417-L420 WeakPolarHBondContact O-CB 3.36Å; N417-L420 PolarHBondContact O-N 2.8Å; N417-Q421 WeakPolarHBondContact O-CG 3.44Å; N417-Q421 PolarHBondContact O-N 3.19Å
418V98.5Very high97.9Very high13 Ų1343.8 Ų43.88%0.07923%0.226CC..Hα-helixtrans-56-41.6-178.7172.40000111.4I339 L406 L409 T416 L420 Q421 I422I339-V418 HydrophobicContact CD1-CG2 4.29Å; I339-V418 HydrophobicContact CG2-CG2 4.13Å; L406-V418 HydrophobicContact CB-CG1 4.43Å; L406-V418 HydrophobicContact CD2-CG1 4.21Å; L406-V418 WeakPolarHBondContact O-CG1 3.4Å; L409-V418 HydrophobicContact CD2-CG2 3.68Å; L409-V418 HydrophobicContact CG-CG2 4.47Å; T416-V418 PolarHBondContact O-N 3.04Å; T416-V418 VanDerWaalsContact OG1-CG2 3.28Å; T416-V418 WeakPolarHBondContact OG1-CG2 3.29Å; V418-L420 VanDerWaalsContact C-N 3.31Å; V418-L420 PolarHBondContact O-N 3.49Å; V418-Q421 WeakPolarHBondContact O-CB 3.06Å; V418-Q421 PolarHBondContact O-N 2.98Å; V418-Q421 VanDerWaalsContact O-N 3.08Å; V418-I422 HydrophobicContact CG1-CD1 3.98Å; V418-I422 HydrophobicContact CG1-CG1 4.44Å; V418-I422 WeakPolarHBondContact O-CG1 3.45Å; V418-I422 PolarHBondContact O-N 2.56Å
419D97.7Very high97.8Very high96 Ų9643.9 Ų43.951%0.51323%0.229SC..Hα-helixtrans-64.4-33.4176.4-68.9-18.5000113.1P344 N417 R423P344-D419 HydrophobicContact CB-CB 3.89Å; P344-D419 HydrophobicContact CG-CB 4.04Å; N417-D419 VanDerWaalsContact C-N 3.26Å; N417-D419 PolarHBondContact O-N 3.29Å; D419-R423 WeakPolarHBondContact O-CG 3.37Å; D419-R423 PolarHBondContact O-N 2.88Å; D419-R423 VanDerWaalsContact O-N 3.08Å
420L97.5Very high97.7Very high2 Ų243.4 Ų43.41%0.0123%0.227CC..Hα-helixtrans-64.5-46.5171.6173.265.9000110V239 P344 F347 N417 V418 I422 R423 I424 L444V239-L420 HydrophobicContact CG1-CD2 4.38Å; P344-L420 HydrophobicContact CB-CB 4.28Å; F347-L420 HydrophobicContact CE1-CD2 4.03Å; N417-L420 HydrophobicContact CB-CB 4.32Å; N417-L420 WeakPolarHBondContact O-CA 3.26Å; N417-L420 VanDerWaalsContact O-CB 3.31Å; N417-L420 WeakPolarHBondContact O-CB 3.36Å; N417-L420 PolarHBondContact O-N 2.8Å; V418-L420 VanDerWaalsContact C-N 3.31Å; V418-L420 PolarHBondContact O-N 3.49Å; L420-I422 VanDerWaalsContact C-N 3.33Å; L420-I422 PolarHBondContact O-N 3.4Å; L420-R423 WeakPolarHBondContact O-CB 3.43Å; L420-R423 PolarHBondContact O-N 3.41Å; L420-R423 VanDerWaalsContact O-N 3.14Å; L420-I424 HydrophobicContact CD1-CD1 4.21Å; L420-I424 HydrophobicContact CD1-CG1 4.4Å; L420-I424 HydrophobicContact CG-CD1 4.02Å; L420-I424 WeakPolarHBondContact O-CG1 3.44Å; L420-I424 PolarHBondContact O-N 3.06Å; L420-L444 HydrophobicContact CD1-CD1 4.28Å; L420-L444 HydrophobicContact CD1-CD2 3.85Å
421Q98.5Very high97.6Very high0 Ų044 Ų440%023%0.228CC..Hα-helixtrans-60.7-42.1178.8-62.1-66.54.700111.5V239 C337 R338 I339 L406 N417 V418 R423 I424 M425V239-Q421 PolarHBondContact O-NE2 3.44Å; C337-Q421 HydrophobicContact CB-CB 4.39Å; C337-Q421 HydrophobicContact CB-CG 4.01Å; C337-Q421 PolarHBondContact SG-OE1 3.05Å; R338-Q421 PolarHBondContact O-NE2 2.66Å; I339-Q421 HydrophobicContact CD1-CG 4.07Å; L406-Q421 HydrophobicContact CD1-CB 3.78Å; L406-Q421 HydrophobicContact CD2-CB 3.82Å; L406-Q421 HydrophobicContact CG-CB 4.49Å; N417-Q421 WeakPolarHBondContact O-CG 3.44Å; N417-Q421 PolarHBondContact O-N 3.19Å; V418-Q421 WeakPolarHBondContact O-CB 3.06Å; V418-Q421 PolarHBondContact O-N 2.98Å; V418-Q421 VanDerWaalsContact O-N 3.08Å; Q421-R423 VanDerWaalsContact C-N 3.35Å; Q421-R423 PolarHBondContact O-N 2.84Å; Q421-I424 PolarHBondContact O-N 3.27Å; Q421-M425 WeakPolarHBondContact O-CG 3.44Å; Q421-M425 PolarHBondContact O-N 3.27Å
422I98.3Very high97.3Very high37 Ų3750.7 Ų50.719%0.1926%0.259CS..Hα-helixtrans-60.2-43.1174.4-68.4169.6000111.2L406 V418 L420 I424 M425 N426L406-I422 HydrophobicContact CB-CD1 4.28Å; L406-I422 HydrophobicContact CB-CG1 3.73Å; L406-I422 HydrophobicContact CD1-CG1 4.07Å; L406-I422 HydrophobicContact CG-CG1 4.47Å; V418-I422 HydrophobicContact CG1-CD1 3.98Å; V418-I422 HydrophobicContact CG1-CG1 4.44Å; V418-I422 WeakPolarHBondContact O-CG1 3.45Å; V418-I422 PolarHBondContact O-N 2.56Å; L420-I422 VanDerWaalsContact C-N 3.33Å; L420-I422 PolarHBondContact O-N 3.4Å; I422-I424 VanDerWaalsContact C-N 3.33Å; I422-I424 PolarHBondContact O-N 3.42Å; I422-M425 PolarHBondContact O-N 2.93Å; I422-N426 WeakPolarHBondContact CG2-ND2 3.33Å; I422-N426 WeakPolarHBondContact O-CB 3.48Å; I422-N426 PolarHBondContact O-N 2.96Å; I422-N426 PolarHBondContact O-ND2 3.31Å
423R97.6Very high97Very high102 Ų10248.9 Ų48.939%0.38525%0.254SS..Hα-helixtrans-64.8-34.2176.4-74.5-175.4-63.7-171.2-1.2112.9P344 N345 D419 L420 Q421 D427P344-R423 PolarHBondContact O-NH2 2.99Å; N345-R423 PolarHBondContact OD1-NH1 3.47Å; N345-R423 PolarHBondContact OD1-NH2 2.96Å; N345-R423 VanDerWaalsContact OD1-NH2 3.07Å; D419-R423 WeakPolarHBondContact O-CG 3.37Å; D419-R423 PolarHBondContact O-N 2.88Å; D419-R423 VanDerWaalsContact O-N 3.08Å; L420-R423 WeakPolarHBondContact O-CB 3.43Å; L420-R423 PolarHBondContact O-N 3.41Å; L420-R423 VanDerWaalsContact O-N 3.14Å; Q421-R423 VanDerWaalsContact C-N 3.35Å; Q421-R423 PolarHBondContact O-N 2.84Å; R423-D427 PolarHBondContact O-N 3.4Å
424I97.8Very high96.6Very high7 Ų748.1 Ų48.14%0.03625%0.246CC..Hα-helixtrans-70.7-47.7175.3-64.4167.3000109.9V239 V240 L420 Q421 I422 N426 D427 F430 L440V239-I424 HydrophobicContact CG1-CD1 3.93Å; V240-I424 HydrophobicContact CG2-CD1 4.16Å; V240-I424 HydrophobicContact CG2-CG2 4.08Å; L420-I424 HydrophobicContact CD1-CD1 4.21Å; L420-I424 HydrophobicContact CD1-CG1 4.4Å; L420-I424 HydrophobicContact CG-CD1 4.02Å; L420-I424 WeakPolarHBondContact O-CG1 3.44Å; L420-I424 PolarHBondContact O-N 3.06Å; Q421-I424 PolarHBondContact O-N 3.27Å; I422-I424 VanDerWaalsContact C-N 3.33Å; I422-I424 PolarHBondContact O-N 3.42Å; I424-N426 PolarHBondContact O-N 3.03Å; I424-D427 VanDerWaalsContact O-CB 3.25Å; I424-D427 WeakPolarHBondContact O-CB 3.35Å; I424-D427 PolarHBondContact O-N 2.76Å; I424-F430 HydrophobicContact CG2-CB 4.46Å; I424-F430 HydrophobicContact CG2-CD1 4.09Å; I424-F430 HydrophobicContact CG2-CD2 4.03Å; I424-F430 HydrophobicContact CG2-CE1 4.41Å; I424-F430 HydrophobicContact CG2-CE2 4.35Å; I424-F430 HydrophobicContact CG2-CG 3.9Å; I424-F430 WeakPolarHBondContact O-CD1 3.5Å; I424-L440 HydrophobicContact CD1-CD1 3.99Å; I424-L440 HydrophobicContact CD1-CD2 4.01Å; I424-L440 HydrophobicContact CG1-CD1 4.02Å
425M98.2Very high96.4Very high0 Ų048.1 Ų48.10%025%0.247CC..Hα-helixtrans-60.8-31.7178.2-67-58.311500112.5V240 V335 I399 M402 K403 L406 Q421 I422 F430 Q431V240-M425 HydrophobicContact CG1-CE 3.79Å; V240-M425 HydrophobicContact CG2-CE 4.02Å; V335-M425 HydrophobicContact CG1-CE 4.02Å; V335-M425 HydrophobicContact CG1-SD 4.28Å; I399-M425 HydrophobicContact CG2-SD 4.29Å; M402-M425 HydrophobicContact CB-CG 4.32Å; M402-M425 HydrophobicContact CB-SD 3.91Å; M402-M425 HydrophobicContact CG-CE 4.45Å; M402-M425 HydrophobicContact CG-CG 3.75Å; M402-M425 HydrophobicContact CG-SD 3.55Å; M402-M425 VanDerWaalsContact CG-SD 3.55Å; K403-M425 VanDerWaalsContact CE-C 3.46Å; K403-M425 WeakPolarHBondContact CE-O 3.35Å; K403-M425 HydrophobicContact CG-CB 3.7Å; K403-M425 PolarHBondContact NZ-O 3.46Å; L406-M425 HydrophobicContact CD1-CG 3.81Å; Q421-M425 WeakPolarHBondContact O-CG 3.44Å; Q421-M425 PolarHBondContact O-N 3.27Å; I422-M425 PolarHBondContact O-N 2.93Å; M425-F430 HydrophobicContact CE-CD1 4.27Å; M425-F430 HydrophobicContact CE-CE1 3.41Å; M425-F430 VanDerWaalsContact CE-CE1 3.41Å; M425-F430 HydrophobicContact CE-CZ 3.69Å; M425-F430 HydrophobicContact SD-CE1 3.82Å; M425-Q431 PolarHBondContact O-NE2 3.45Å
426N97.7Very high96.2Very high82 Ų8243.9 Ų43.944%0.43923%0.23SC..THydrogen-bonded Turntrans-85.1-3.5176.3-72.7-41.9000114.5K403 I422 I424K403-N426 WeakPolarHBondContact CD-OD1 3.28Å; K403-N426 WeakPolarHBondContact CE-OD1 3.34Å; K403-N426 PolarHBondContact NZ-OD1 3.39Å; K403-N426 VanDerWaalsContact NZ-OD1 3.13Å; I422-N426 WeakPolarHBondContact CG2-ND2 3.33Å; I422-N426 WeakPolarHBondContact O-CB 3.48Å; I422-N426 PolarHBondContact O-N 2.96Å; I422-N426 PolarHBondContact O-ND2 3.31Å; I424-N426 PolarHBondContact O-N 3.03Å
427D97Very high95.9Very high17 Ų1744 Ų449%0.09123%0.229CC..  trans-74129.1177.9-179.864.9000112R423 I424 N429 F430 Q431 Y439 K443R423-D427 PolarHBondContact O-N 3.4Å; I424-D427 VanDerWaalsContact O-CB 3.25Å; I424-D427 WeakPolarHBondContact O-CB 3.35Å; I424-D427 PolarHBondContact O-N 2.76Å; D427-N429 WeakPolarHBondContact OD2-CB 3.35Å; D427-N429 PolarHBondContact OD2-N 3.44Å; D427-F430 HydrophobicContact CB-CB 3.92Å; D427-F430 PolarHBondContact O-N 2.96Å; D427-F430 PolarHBondContact OD2-N 3.11Å; D427-Q431 WeakPolarHBondContact O-CB 3.25Å; D427-Q431 VanDerWaalsContact O-CG 3.28Å; D427-Q431 WeakPolarHBondContact O-CG 3.3Å; D427-Q431 PolarHBondContact O-N 3Å; D427-Y439 PolarHBondContact OD1-OH 2.94Å; D427-Y439 VanDerWaalsContact OD1-OH 3.1Å; D427-Y439 WeakPolarHBondContact OD2-CE1 3.3Å; D427-Y439 PolarHBondContact OD2-OH 3.29Å; D427-K443 VanDerWaalsContact CB-NZ 3.27Å; D427-K443 IonicContact OD1-NZ 2.96Å; D427-K443 PolarHBondContact OD1-NZ 2.87Å
428E95.7Very high95.6Very high140 Ų14045 Ų4565%0.65423%0.234SC*.Hα-helixtrans-65.1-39.9-179.7-66.5178.8172.900111.9Q431 H432E428-Q431 CarbonylContact O-C 3.49Å; E428-Q431 PolarHBondContact O-N 2.96Å; E428-H432 PolarHBondContact O-CD2 3.31Å; E428-H432 PolarHBondContact O-N 3.35Å
429N95.1Very high95.4Very high82 Ų8246.6 Ų46.644%0.43924%0.239SC..Hα-helixtrans-69-39.8-179.6-56.7-77.1000111.5D427 Q431 H432 G433 T435 Y439D427-N429 WeakPolarHBondContact OD2-CB 3.35Å; D427-N429 PolarHBondContact OD2-N 3.44Å; N429-Q431 VanDerWaalsContact C-N 3.33Å; N429-H432 PolarHBondContact O-N 3.44Å; N429-G433 PolarHBondContact O-N 3.43Å; N429-T435 HydrophobicContact CB-CG2 4.03Å; N429-Y439 HydrophobicContact CB-CE1 4.43Å; N429-Y439 HydrophobicContact CB-CE2 3.85Å; N429-Y439 WeakPolarHBondContact CB-OH 3.32Å; N429-Y439 PolarHBondContact ND2-OH 2.99Å
430F96.2Very high95.2Very high3 Ų342.2 Ų42.21%0.01322%0.215CC..Hα-helixtrans-60.9-43.1170.9178.8-103.3000111M232 V240 R395 I399 I424 M425 D427 H432 G433M232-F430 HydrophobicContact CG-CD2 3.67Å; M232-F430 HydrophobicContact CG-CE2 3.76Å; M232-F430 HydrophobicContact SD-CD2 4.12Å; V240-F430 HydrophobicContact CG1-CE2 3.97Å; V240-F430 HydrophobicContact CG1-CZ 3.71Å; R395-F430 VanDerWaalsContact CZ-O 3.25Å; R395-F430 PolarHBondContact NH1-O 3.01Å; R395-F430 PolarHBondContact NH2-O 3.1Å; I399-F430 HydrophobicContact CD1-CE1 4.07Å; I399-F430 HydrophobicContact CG1-CE1 4.31Å; I424-F430 HydrophobicContact CG2-CB 4.46Å; I424-F430 HydrophobicContact CG2-CD1 4.09Å; I424-F430 HydrophobicContact CG2-CD2 4.03Å; I424-F430 HydrophobicContact CG2-CE1 4.41Å; I424-F430 HydrophobicContact CG2-CE2 4.35Å; I424-F430 HydrophobicContact CG2-CG 3.9Å; I424-F430 WeakPolarHBondContact O-CD1 3.5Å; M425-F430 HydrophobicContact CE-CD1 4.27Å; M425-F430 HydrophobicContact CE-CE1 3.41Å; M425-F430 VanDerWaalsContact CE-CE1 3.41Å; M425-F430 HydrophobicContact CE-CZ 3.69Å; M425-F430 HydrophobicContact SD-CE1 3.82Å; D427-F430 HydrophobicContact CB-CB 3.92Å; D427-F430 PolarHBondContact O-N 2.96Å; D427-F430 PolarHBondContact OD2-N 3.11Å; F430-H432 VanDerWaalsContact C-N 3.34Å; F430-H432 PolarHBondContact O-N 3Å; F430-G433 PolarHBondContact O-N 3.49Å; F430-G433 VanDerWaalsContact O-N 3.1Å
431Q95.5Very high94.8Very high64 Ų6443.2 Ų43.230%0.29922%0.22SC..Hα-helixtrans-65-33.2176.2-74.4169.529.600113.3R395 I399 M425 D427 E428 N429 G433R395-Q431 PolarHBondContact NH1-O 2.68Å; I399-Q431 HydrophobicContact CD1-CG 4.42Å; I399-Q431 HydrophobicContact CG2-CG 4.41Å; M425-Q431 PolarHBondContact O-NE2 3.45Å; D427-Q431 WeakPolarHBondContact O-CB 3.25Å; D427-Q431 VanDerWaalsContact O-CG 3.28Å; D427-Q431 WeakPolarHBondContact O-CG 3.3Å; D427-Q431 PolarHBondContact O-N 3Å; E428-Q431 CarbonylContact O-C 3.49Å; E428-Q431 PolarHBondContact O-N 2.96Å; N429-Q431 VanDerWaalsContact C-N 3.33Å; Q431-G433 VanDerWaalsContact C-N 3.33Å
432H93.4Very high94.4Very high156 Ų15648.2 Ų48.272%0.72224%0.242SC*.Hα-helixtrans-69.5-31.6170.7-73.9-58.1000112.7E428 N429 F430E428-H432 PolarHBondContact O-CD2 3.31Å; E428-H432 PolarHBondContact O-N 3.35Å; N429-H432 PolarHBondContact O-N 3.44Å; F430-H432 VanDerWaalsContact C-N 3.34Å; F430-H432 PolarHBondContact O-N 3Å
433G91.4Very high93.9Very high20 Ų2051.2 Ų51.221%0.20625%0.254CS..  trans83.7168.5179.300000113.4N429 F430 Q431N429-G433 PolarHBondContact O-N 3.43Å; F430-G433 PolarHBondContact O-N 3.49Å; F430-G433 VanDerWaalsContact O-N 3.1Å; Q431-G433 VanDerWaalsContact C-N 3.33Å
434G89.8Confident93.4Very high37 Ų3748.5 Ų48.538%0.38125%0.247SC..  trans81.511.7177.400000115.6
435T93.2Very high92.8Very high17 Ų1751.3 Ų51.310%0.10428%0.277CS..  trans-63.1137.4173.949.70000112S231 M232 N429 Y439S231-T435 WeakPolarHBondContact CB-O 3.42Å; M232-T435 HydrophobicContact CE-CG2 4.47Å; M232-T435 WeakPolarHBondContact CE-OG1 3.43Å; N429-T435 HydrophobicContact CB-CG2 4.03Å; T435-Y439 HydrophobicContact CG2-CD1 3.84Å; T435-Y439 HydrophobicContact CG2-CD2 4.02Å; T435-Y439 HydrophobicContact CG2-CE1 4.11Å; T435-Y439 HydrophobicContact CG2-CE2 4.28Å; T435-Y439 HydrophobicContact CG2-CG 3.82Å
436N94Very high91.7Very high27 Ų2753.1 Ų53.114%0.14429%0.286CS..  trans-80.6172.4-179.270.434.3000113.7N206 P207 H438 Y439N206-N436 PolarHBondContact OD1-ND2 2.88Å; P207-N436 WeakPolarHBondContact O-CA 3.43Å; P207-N436 VanDerWaalsContact O-CB 3.28Å; P207-N436 WeakPolarHBondContact O-CB 3.49Å; N436-H438 PolarHBondContact O-N 3.32Å; N436-H438 VanDerWaalsContact O-N 3.11Å; N436-H438 WeakPolarHBondContact OD1-CB 3.3Å; N436-H438 PolarHBondContact OD1-N 3.33Å; N436-Y439 VanDerWaalsContact O-CB 3.23Å; N436-Y439 WeakPolarHBondContact O-CB 3.35Å; N436-Y439 PolarHBondContact O-N 2.97Å; N436-Y439 VanDerWaalsContact O-N 3.08Å; N436-Y439 PolarHBondContact OD1-N 3.38Å; N436-Y439 VanDerWaalsContact OD1-N 3.16Å
437I92.9Very high89.9Confident21 Ų2154.1 Ų54.111%0.10829%0.288CS..THydrogen-bonded Turntrans-61.6-19.5-177.563175000114.8P207 H209 S231P207-I437 HydrophobicContact CG-CD1 3.78Å; P207-I437 HydrophobicContact CG-CG1 4.09Å; P207-I437 PolarHBondContact O-N 2.66Å; H209-I437 HydrophobicContact CB-CG2 3.7Å; S231-I437 WeakPolarHBondContact O-CA 3.27Å
438H91.5Very high87.9Confident22 Ų2262.6 Ų62.610%0.10233%0.328CS..THydrogen-bonded Turntrans-92.6-8.4-179.5-56.1-56.7000112.8Y203 E205 N436 K442Y203-H438 PolarHBondContact OH-NE2 3.23Å; E205-H438 PolarHBondContact O-CD2 2.67Å; N436-H438 PolarHBondContact O-N 3.32Å; N436-H438 VanDerWaalsContact O-N 3.11Å; N436-H438 WeakPolarHBondContact OD1-CB 3.3Å; N436-H438 PolarHBondContact OD1-N 3.33Å; H438-K442 WeakPolarHBondContact O-CB 3.33Å; H438-K442 VanDerWaalsContact O-CG 3.31Å; H438-K442 WeakPolarHBondContact O-CG 3.38Å; H438-K442 PolarHBondContact O-N 3.21Å
439Y94.2Very high85.1Confident47 Ų4769.4 Ų69.418%0.18436%0.355CS..Hα-helixtrans-62.1-53.6-170.4176.8-97.2000112.4M232 D427 N429 T435 N436 E441 K442 K443M232-Y439 HydrophobicContact CE-CD1 3.76Å; M232-Y439 HydrophobicContact CE-CG 4.24Å; M232-Y439 HydrophobicContact SD-CD1 3.9Å; D427-Y439 PolarHBondContact OD1-OH 2.94Å; D427-Y439 VanDerWaalsContact OD1-OH 3.1Å; D427-Y439 WeakPolarHBondContact OD2-CE1 3.3Å; D427-Y439 PolarHBondContact OD2-OH 3.29Å; N429-Y439 HydrophobicContact CB-CE1 4.43Å; N429-Y439 HydrophobicContact CB-CE2 3.85Å; N429-Y439 WeakPolarHBondContact CB-OH 3.32Å; N429-Y439 PolarHBondContact ND2-OH 2.99Å; T435-Y439 HydrophobicContact CG2-CD1 3.84Å; T435-Y439 HydrophobicContact CG2-CD2 4.02Å; T435-Y439 HydrophobicContact CG2-CE1 4.11Å; T435-Y439 HydrophobicContact CG2-CE2 4.28Å; T435-Y439 HydrophobicContact CG2-CG 3.82Å; N436-Y439 VanDerWaalsContact O-CB 3.23Å; N436-Y439 WeakPolarHBondContact O-CB 3.35Å; N436-Y439 PolarHBondContact O-N 2.97Å; N436-Y439 VanDerWaalsContact O-N 3.08Å; N436-Y439 PolarHBondContact OD1-N 3.38Å; N436-Y439 VanDerWaalsContact OD1-N 3.16Å; Y439-E441 PolarHBondContact O-N 3.36Å; Y439-K442 PolarHBondContact O-N 3.47Å; Y439-K443 HydrophobicContact CE1-CD 4.22Å; Y439-K443 WeakPolarHBondContact O-CB 3.14Å; Y439-K443 PolarHBondContact O-N 3.2Å
440L92.8Very high84.6Confident3 Ų368.8 Ų68.82%0.01635%0.351CS..Hα-helixtrans-65.6-40-176.2179.361.1000111.3M232 Q233 R234 V239 I424 K443 L444M232-L440 HydrophobicContact SD-CB 4.18Å; Q233-L440 WeakPolarHBondContact O-CB 3.47Å; R234-L440 HydrophobicContact CB-CD2 4.49Å; V239-L440 HydrophobicContact CB-CD2 4.16Å; V239-L440 HydrophobicContact CG1-CD2 4.39Å; V239-L440 HydrophobicContact CG2-CD2 4Å; I424-L440 HydrophobicContact CD1-CD1 3.99Å; I424-L440 HydrophobicContact CD1-CD2 4.01Å; I424-L440 HydrophobicContact CG1-CD1 4.02Å; L440-K443 PolarHBondContact O-N 3.1Å; L440-L444 HydrophobicContact CD1-CD1 3.83Å; L440-L444 HydrophobicContact CD1-CG 3.99Å; L440-L444 HydrophobicContact CG-CD1 3.83Å; L440-L444 HydrophobicContact CG-CG 4.37Å; L440-L444 WeakPolarHBondContact O-CB 3.19Å; L440-L444 VanDerWaalsContact O-CG 3.26Å; L440-L444 WeakPolarHBondContact O-CG 3.43Å; L440-L444 PolarHBondContact O-N 3.39Å
441E89.2Confident84Confident23 Ų2372.2 Ų72.211%0.10737%0.369CS..Hα-helixtrans-62-44175.9-64.6-174.2140.800112.7R235 Y439 K443 L444 G445 L446R235-E441 WeakPolarHBondContact CA-OE1 3.07Å; R235-E441 PolarHBondContact N-OE1 3.39Å; Y439-E441 PolarHBondContact O-N 3.36Å; E441-K443 VanDerWaalsContact C-N 3.33Å; E441-K443 PolarHBondContact O-N 3.41Å; E441-L444 PolarHBondContact O-N 3.08Å; E441-G445 PolarHBondContact O-N 3.43Å; E441-G445 VanDerWaalsContact O-N 3.11Å; E441-L446 HydrophobicContact CB-CB 4.48Å; E441-L446 PolarHBondContact O-N 3.09Å
442K90.1Very high83.4Confident105 Ų10572.7 Ų72.746%0.45737%0.372SS..Hα-helixtrans-58.8-46.2173.8-77.2174.7-179.6179.20111H438 Y439 L444 G445 Q447H438-K442 WeakPolarHBondContact O-CB 3.33Å; H438-K442 VanDerWaalsContact O-CG 3.31Å; H438-K442 WeakPolarHBondContact O-CG 3.38Å; H438-K442 PolarHBondContact O-N 3.21Å; Y439-K442 PolarHBondContact O-N 3.47Å; K442-L444 VanDerWaalsContact C-N 3.32Å; K442-L444 PolarHBondContact O-N 3.4Å; K442-G445 PolarHBondContact O-N 2.92Å; K442-G445 VanDerWaalsContact O-N 3.15Å; K442-Q447 HydrophobicContact CG-CG 3.96Å; K442-Q447 VanDerWaalsContact CG-NE2 3.34Å
443K88.2Confident82.8Confident101 Ų10167.8 Ų67.844%0.43935%0.352SS..Hα-helixtrans-63.9-36.2-179.9-172.6174.2-179.8176.20112.8D427 Y439 L440 E441 G445D427-K443 VanDerWaalsContact CB-NZ 3.27Å; D427-K443 IonicContact OD1-NZ 2.96Å; D427-K443 PolarHBondContact OD1-NZ 2.87Å; Y439-K443 HydrophobicContact CE1-CD 4.22Å; Y439-K443 WeakPolarHBondContact O-CB 3.14Å; Y439-K443 PolarHBondContact O-N 3.2Å; L440-K443 PolarHBondContact O-N 3.1Å; E441-K443 VanDerWaalsContact C-N 3.33Å; E441-K443 PolarHBondContact O-N 3.41Å; K443-G445 VanDerWaalsContact C-N 3.29Å
444L87.7Confident82.3Confident45 Ų4570.8 Ų70.824%0.23636%0.361CS..THydrogen-bonded Turntrans-83.4-2.4177.9-64.2174.5000113.4R234 F347 L420 L440 E441 K442 L446R234-L444 HydrophobicContact CG-CD1 4.41Å; F347-L444 HydrophobicContact CE1-CD1 4.42Å; F347-L444 HydrophobicContact CE2-CD1 4.4Å; F347-L444 HydrophobicContact CZ-CD1 3.73Å; F347-L444 HydrophobicContact CZ-CD2 4.16Å; F347-L444 HydrophobicContact CZ-CG 4.36Å; L420-L444 HydrophobicContact CD1-CD1 4.28Å; L420-L444 HydrophobicContact CD1-CD2 3.85Å; L440-L444 HydrophobicContact CD1-CD1 3.83Å; L440-L444 HydrophobicContact CD1-CG 3.99Å; L440-L444 HydrophobicContact CG-CD1 3.83Å; L440-L444 HydrophobicContact CG-CG 4.37Å; L440-L444 WeakPolarHBondContact O-CB 3.19Å; L440-L444 VanDerWaalsContact O-CG 3.26Å; L440-L444 WeakPolarHBondContact O-CG 3.43Å; L440-L444 PolarHBondContact O-N 3.39Å; E441-L444 PolarHBondContact O-N 3.08Å; K442-L444 VanDerWaalsContact C-N 3.32Å; K442-L444 PolarHBondContact O-N 3.4Å; L444-L446 VanDerWaalsContact C-N 3.27Å; L444-L446 HydrophobicContact CB-CD1 3.84Å; L444-L446 HydrophobicContact CB-CG 3.81Å; L444-L446 HydrophobicContact CD1-CD1 3.95Å; L444-L446 PolarHBondContact O-N 2.62Å
445G84.3Confident81.8Confident66 Ų6673 Ų7368%0.6836%0.36SS*.THydrogen-bonded Turntrans66.128.3-176.900000113.5E441 K442 K443E441-G445 PolarHBondContact O-N 3.43Å; E441-G445 VanDerWaalsContact O-N 3.11Å; K442-G445 PolarHBondContact O-N 2.92Å; K442-G445 VanDerWaalsContact O-N 3.15Å; K443-G445 VanDerWaalsContact C-N 3.29Å
446L76Confident80.9Confident37 Ų3777 Ų7719%0.19438%0.378CS..  trans-95-2-173.9-70.7177.2000114.7R234 F347 E441 L444 E448R234-L446 HydrophobicContact CG-CD1 3.54Å; F347-L446 HydrophobicContact CD2-CD1 4.2Å; F347-L446 HydrophobicContact CD2-CD2 4.36Å; F347-L446 HydrophobicContact CE2-CD1 3.66Å; F347-L446 HydrophobicContact CE2-CD2 3.99Å; F347-L446 HydrophobicContact CE2-CG 4.19Å; F347-L446 HydrophobicContact CZ-CD1 4.37Å; E441-L446 HydrophobicContact CB-CB 4.48Å; E441-L446 PolarHBondContact O-N 3.09Å; L444-L446 VanDerWaalsContact C-N 3.27Å; L444-L446 HydrophobicContact CB-CD1 3.84Å; L444-L446 HydrophobicContact CB-CG 3.81Å; L444-L446 HydrophobicContact CD1-CD1 3.95Å; L444-L446 PolarHBondContact O-N 2.62Å; L446-E448 PolarHBondContact O-N 3.38Å
447Q60.7Low79.9Confident103 Ų10380.8 Ų80.848%0.48140%0.396SS..  trans-60.9132.5-179.3-68.7-163-5200110.9K442 K449K442-Q447 HydrophobicContact CG-CG 3.96Å; K442-Q447 VanDerWaalsContact CG-NE2 3.34Å; Q447-K449 PolarHBondContact O-N 3.11Å
448E53.2Low78.9Confident195 Ų19585.8 Ų85.891%0.91142%0.42SS*.  trans-60135162.1-67.8-176.4165.500108.2L446L446-E448 PolarHBondContact O-N 3.38Å
449K38.5Very low77.7Confident283 Ų28391.6 Ų91.6100%1.2345%0.449SS*.  trans-680175.4-87.2-173.4174.7-178.70111.7Q447Q447-K449 PolarHBondContact O-N 3.11Å

Retrieved 449 of 449 residues in 698.8 ms (Link to these results)

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