A0A096NUR8_PAPAN Loading...

peptidylprolyl isomerase

FK506- and rapamycin-binding proteins (FKBPs) constitute a family of receptors for the two immunosuppressants which inhibit T-cell proliferation by arresting two distinct cytoplasmic signal transmission pathways. PPIases accelerate the folding of proteins.

AlphaFold DB , UniProt , Accession A0A096NUR8, Species PAPAN (Papio anubis, Olive baboon), Gene FKBP3, Length 224 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
1M34.8Very low59.5Low243 Ų24394.8 Ų94.8100%1.19755%0.549SS*.  0103.40-68.7175.1-173.300107.5A3M1-A3 PolarHBondContact O-N 2.86Å
2A38.3Very low60.6Low90 Ų9092.1 Ų92.174%0.74454%0.535SS*.  trans-77.1113.8-178.900000108.6A4A2-A4 PolarHBondContact O-N 3.43Å
3A42.3Very low61.6Low55 Ų5597.8 Ų97.846%0.45555%0.553SS.*  trans-66.6119.3171.700000107.9M1 V5 K73M1-A3 PolarHBondContact O-N 2.86Å; A3-V5 PolarHBondContact O-N 3.31Å; A3-K73 WeakPolarHBondContact CB-O 3.09Å
4A52.7Low62.8Low86 Ų8697.6 Ų97.671%0.71155%0.546SS*.  trans-55.4136174.800000109.6A2 P6A2-A4 PolarHBondContact O-N 3.43Å; A4-P6 VanDerWaalsContact O-CD 3.26Å; A4-P6 WeakPolarHBondContact O-CD 3.41Å
5V54.2Low63.9Low92 Ų9291.1 Ų91.156%0.55851%0.509SS*.  trans-59.2114.3172.8172.10000107.3A3 F72A3-V5 PolarHBondContact O-N 3.31Å; V5-F72 HydrophobicContact CB-CD2 4.39Å; V5-F72 HydrophobicContact CB-CE2 4.33Å; V5-F72 HydrophobicContact CG1-CD2 3.92Å; V5-F72 HydrophobicContact CG1-CE2 3.4Å; V5-F72 HydrophobicContact CG1-CZ 3.73Å; V5-F72 HydrophobicContact CG2-CD2 4Å; V5-F72 HydrophobicContact CG2-CE2 4.23Å
6P63.8Low64.5Low16 Ų1694.8 Ų94.810%0.10451%0.513CS..  trans-66.2143.6-177.115.2-12000109.2A4 F28 H32 F67 F72A4-P6 VanDerWaalsContact O-CD 3.26Å; A4-P6 WeakPolarHBondContact O-CD 3.41Å; P6-F28 HydrophobicContact CB-CZ 4.05Å; P6-H32 HydrophobicContact CB-CB 4.18Å; P6-H32 WeakPolarHBondContact CB-ND1 3.4Å; P6-H32 HydrophobicContact CG-CB 3.42Å; P6-H32 VanDerWaalsContact CG-CB 3.42Å; P6-H32 WeakPolarHBondContact CG-ND1 3.11Å; P6-F67 WeakPolarHBondContact O-CE1 3.38Å; P6-F72 HydrophobicContact CG-CD1 3.57Å; P6-F72 HydrophobicContact CG-CE1 3.7Å; P6-F72 HydrophobicContact CG-CG 4.42Å
7Q67Low65.5Low148 Ų14891.6 Ų91.669%0.69250%0.499SS*.  trans-76.8156.4172.8-63.6-153.1-65.600110.8A9Q7-A9 PolarHBondContact O-N 2.8Å
8R73.3Confident66.2Low133 Ų13397.2 Ų97.250%0.50252%0.521SS..  trans-66.5100.6175.8-75.9-172.8163.3178.3-5.6109.6W10 Y63 N64 F67R8-W10 VanDerWaalsContact C-N 3.26Å; R8-W10 PolarHBondContact O-N 2.8Å; R8-Y63 VanDerWaalsContact CA-OH 3.25Å; R8-Y63 WeakPolarHBondContact CA-OH 3.22Å; R8-Y63 HydrophobicContact CB-CE1 4.47Å; R8-Y63 HydrophobicContact CG-CE1 4.19Å; R8-N64 PolarHBondContact NH2-OD1 2.97Å; R8-F67 HydrophobicContact CB-CE1 4.16Å; R8-F67 HydrophobicContact CB-CZ 4.39Å; R8-F67 HydrophobicContact CG-CD1 3.45Å; R8-F67 VanDerWaalsContact CG-CD1 3.45Å; R8-F67 HydrophobicContact CG-CD2 4.29Å; R8-F67 HydrophobicContact CG-CE1 3.37Å; R8-F67 HydrophobicContact CG-CE2 4.24Å; R8-F67 HydrophobicContact CG-CG 3.91Å; R8-F67 HydrophobicContact CG-CZ 3.8Å
9A70.8Confident66.9Low52 Ų52101.7 Ų101.743%0.4354%0.539SS..  trans-62.8-27.8175.200000113.7Q7 F28 Y63Q7-A9 PolarHBondContact O-N 2.8Å; A9-F28 HydrophobicContact CB-CD2 4.12Å; A9-F28 HydrophobicContact CB-CE2 3.63Å; A9-F28 HydrophobicContact CB-CZ 4.19Å; A9-Y63 PolarHBondContact N-OH 3.09Å
10W80.9Confident67.6Low58 Ų5897.6 Ų97.622%0.2252%0.517CS..SBendtrans-139.2146.3-176.3-57.4-65.6000112.7R8 Q14 L15 L20 D24 F28 Y63R8-W10 VanDerWaalsContact C-N 3.26Å; R8-W10 PolarHBondContact O-N 2.8Å; W10-Q14 HydrophobicContact CB-CB 4.28Å; W10-L15 HydrophobicContact CB-CD1 4.38Å; W10-L15 HydrophobicContact CB-CD2 3.97Å; W10-L15 HydrophobicContact CB-CG 3.79Å; W10-L15 HydrophobicContact CD2-CD2 4.45Å; W10-L15 HydrophobicContact CE3-CD2 4.01Å; W10-L15 HydrophobicContact CG-CD2 4.46Å; W10-L20 HydrophobicContact CB-CD1 4.27Å; W10-L20 HydrophobicContact CD2-CD1 3.78Å; W10-L20 HydrophobicContact CG-CD1 3.53Å; W10-D24 HydrophobicContact CH2-CB 4.26Å; W10-D24 HydrophobicContact CZ2-CB 4.48Å; W10-F28 HydrophobicContact CH2-CB 4Å; W10-F28 HydrophobicContact CH2-CD2 4.21Å; W10-F28 HydrophobicContact CH2-CG 4.33Å; W10-F28 HydrophobicContact CZ3-CB 3.62Å; W10-F28 AromaticContact CZ3-CD2 3.92Å; W10-F28 HydrophobicContact CZ3-CD2 3.92Å; W10-F28 AromaticContact CZ3-CG 3.76Å; W10-F28 HydrophobicContact CZ3-CG 3.76Å; W10-Y63 HydrophobicContact CE3-CE2 4.06Å; W10-Y63 HydrophobicContact CZ3-CE2 4.44Å; W10-Y63 PolarHBondContact N-OH 3.08Å
11T76.1Confident68.5Low70 Ų7096.1 Ų96.143%0.42951%0.513SS..  trans-78.3163.1170.168.10000111.4E13 Q14 L15T11-E13 PolarHBondContact O-N 2.88Å; T11-Q14 PolarHBondContact O-N 3.16Å; T11-Q14 VanDerWaalsContact O-N 3.13Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.17Å; T11-Q14 PolarHBondContact OG1-N 3.32Å; T11-Q14 PolarHBondContact OG1-OE1 3.27Å; T11-L15 WeakPolarHBondContact O-CG 3.35Å; T11-L15 PolarHBondContact O-N 3.02Å
12V73Confident70.9Confident62 Ų6288.1 Ų88.138%0.37647%0.472SS..Hα-helixtrans-58-36.8178.7-174.60000111.3L15 R16 V60V12-L15 PolarHBondContact O-N 2.7Å; V12-R16 WeakPolarHBondContact O-CG 3.25Å; V12-R16 PolarHBondContact O-N 2.78Å; V12-R16 VanDerWaalsContact O-N 3.1Å; V12-V60 HydrophobicContact CG1-CG1 4.03Å
13E73.1Confident73.3Confident166 Ų16689.4 Ų89.478%0.77646%0.46SS*.Hα-helixtrans-67.7-41.7177.5-62.3175.995.500111.8T11 R16 S17T11-E13 PolarHBondContact O-N 2.88Å; E13-R16 PolarHBondContact O-N 3.18Å; E13-S17 PolarHBondContact O-N 2.98Å
14Q78.6Confident75.4Confident96 Ų9690.3 Ų90.345%0.44946%0.458SS..Hα-helixtrans-68.6-35.9175.9-69.8178.2-72.600112.6W10 T11 R16 S17 L20W10-Q14 HydrophobicContact CB-CB 4.28Å; T11-Q14 PolarHBondContact O-N 3.16Å; T11-Q14 VanDerWaalsContact O-N 3.13Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.17Å; T11-Q14 PolarHBondContact OG1-N 3.32Å; T11-Q14 PolarHBondContact OG1-OE1 3.27Å; Q14-R16 VanDerWaalsContact C-N 3.33Å; Q14-S17 WeakPolarHBondContact O-CB 3.21Å; Q14-S17 PolarHBondContact O-N 2.82Å; Q14-L20 WeakPolarHBondContact O-CB 3.35Å
15L79.6Confident77Confident0 Ų086.2 Ų86.20%042%0.424CS..Hα-helixtrans-67.5-35177-72.4161.8000112.1W10 T11 V12 I25 K56 V60 Y63W10-L15 HydrophobicContact CB-CD1 4.38Å; W10-L15 HydrophobicContact CB-CD2 3.97Å; W10-L15 HydrophobicContact CB-CG 3.79Å; W10-L15 HydrophobicContact CD2-CD2 4.45Å; W10-L15 HydrophobicContact CE3-CD2 4.01Å; W10-L15 HydrophobicContact CG-CD2 4.46Å; T11-L15 WeakPolarHBondContact O-CG 3.35Å; T11-L15 PolarHBondContact O-N 3.02Å; V12-L15 PolarHBondContact O-N 2.7Å; L15-I25 HydrophobicContact CD2-CD1 3.95Å; L15-I25 HydrophobicContact CD2-CG1 3.98Å; L15-I25 HydrophobicContact CD2-CG2 3.92Å; L15-K56 PolarHBondContact O-NZ 3.29Å; L15-V60 HydrophobicContact CB-CB 4.29Å; L15-V60 HydrophobicContact CB-CG1 4.02Å; L15-V60 HydrophobicContact CB-CG2 3.62Å; L15-V60 HydrophobicContact CD1-CG1 4.32Å; L15-Y63 HydrophobicContact CD1-CD1 3.39Å; L15-Y63 HydrophobicContact CD1-CE1 3.82Å; L15-Y63 HydrophobicContact CD1-CG 3.84Å; L15-Y63 HydrophobicContact CD2-CD2 4.46Å; L15-Y63 HydrophobicContact CD2-CG 4.35Å
16R74.3Confident78.7Confident150 Ų15081.8 Ų81.857%0.56640%0.397SS*.Hα-helixtrans-78.2-23.1175.3-72.3-176.9166.9-160.5-6.9113.1V12 E13 Q14 D57 V60V12-R16 WeakPolarHBondContact O-CG 3.25Å; V12-R16 PolarHBondContact O-N 2.78Å; V12-R16 VanDerWaalsContact O-N 3.1Å; E13-R16 PolarHBondContact O-N 3.18Å; Q14-R16 VanDerWaalsContact C-N 3.33Å; R16-D57 IonicContact CZ-OD2 3.33Å; R16-D57 IonicContact NE-OD2 3.64Å; R16-D57 IonicContact NH2-OD2 3.05Å; R16-D57 PolarHBondContact NH2-OD2 3.27Å; R16-V60 HydrophobicContact CG-CG1 4.3Å; R16-V60 HydrophobicContact CG-CG2 3.9Å
17S80.7Confident79.9Confident40 Ų4086.3 Ų86.328%0.2842%0.415SS..SBendtrans-61.5137.9176.8-177.20000112.9E13 Q14 Q19 L20 K56E13-S17 PolarHBondContact O-N 2.98Å; Q14-S17 WeakPolarHBondContact O-CB 3.21Å; Q14-S17 PolarHBondContact O-N 2.82Å; S17-Q19 PolarHBondContact O-N 3.01Å; S17-Q19 PolarHBondContact OG-N 3.01Å; S17-L20 PolarHBondContact O-N 3.41Å; S17-K56 WeakPolarHBondContact O-CE 3.2Å; S17-K56 PolarHBondContact O-NZ 3.18Å
18E78.9Confident80.8Confident192 Ų19280.5 Ų80.590%0.89739%0.388SS*.THydrogen-bonded Turntrans-65.7-20.1174.4-70.6-174.593.100113.1L20E18-L20 PolarHBondContact O-N 3.41Å
19Q79.6Confident81.5Confident183 Ų18374.1 Ų74.186%0.85536%0.364SS*.THydrogen-bonded Turntrans-66.3-20.5177.5-62.8-176-9.300112.9S17S17-Q19 PolarHBondContact O-N 3.01Å; S17-Q19 PolarHBondContact OG-N 3.01Å
20L79.6Confident82.2Confident19 Ų1973.4 Ų73.410%0.09935%0.351CS..SBendtrans-98.5117.3-177.1-161.8149.7000111.1W10 Q14 S17 E18 K22 I25 K56W10-L20 HydrophobicContact CB-CD1 4.27Å; W10-L20 HydrophobicContact CD2-CD1 3.78Å; W10-L20 HydrophobicContact CG-CD1 3.53Å; Q14-L20 WeakPolarHBondContact O-CB 3.35Å; S17-L20 PolarHBondContact O-N 3.41Å; E18-L20 PolarHBondContact O-N 3.41Å; L20-K22 PolarHBondContact O-N 3.22Å; L20-I25 HydrophobicContact CD2-CD1 3.54Å; L20-I25 HydrophobicContact CD2-CG1 3.13Å; L20-K56 WeakPolarHBondContact O-CE 3.34Å; L20-K56 PolarHBondContact O-NZ 2.99Å
21P86.9Confident82.2Confident68 Ų6875.9 Ų75.944%0.44237%0.365SS..  trans-66.2135.3-175.6-15.327.8000111.6K23 D24P21-K23 PolarHBondContact O-N 2.99Å; P21-K23 VanDerWaalsContact O-N 3.08Å; P21-D24 WeakPolarHBondContact CB-OD2 3.44Å; P21-D24 VanDerWaalsContact CG-OD2 3.3Å; P21-D24 WeakPolarHBondContact CG-OD2 3.44Å; P21-D24 PolarHBondContact O-N 2.87Å; P21-D24 VanDerWaalsContact O-N 3.1Å
22K86.4Confident82.6Confident74 Ų7474.6 Ų74.632%0.32235%0.354SS..Hα-helixtrans-52.7-34.2173.9-72.2-168.1-76.1168.60112.5L20 D24 I25 I26 A51 K56 L59L20-K22 PolarHBondContact O-N 3.22Å; K22-D24 PolarHBondContact O-N 3.29Å; K22-I25 PolarHBondContact O-N 2.78Å; K22-I26 VanDerWaalsContact O-CD1 3.31Å; K22-I26 WeakPolarHBondContact O-CD1 3.23Å; K22-I26 WeakPolarHBondContact O-CG1 3.46Å; K22-I26 PolarHBondContact O-N 3.2Å; K22-I26 VanDerWaalsContact O-N 3.08Å; K22-A51 PolarHBondContact NZ-O 2.74Å; K22-K56 HydrophobicContact CD-CD 4.23Å; K22-K56 HydrophobicContact CG-CD 3.59Å; K22-L59 HydrophobicContact CB-CD1 3.79Å; K22-L59 HydrophobicContact CD-CD1 4.15Å; K22-L59 HydrophobicContact CG-CD1 3.89Å
23K87.5Confident83Confident117 Ų11771.6 Ų71.651%0.50934%0.336SS..Hα-helixtrans-63.3-38.5-178.7-64.3177.7-178.3169.60112.5P21 I26 K27 I47 A51P21-K23 PolarHBondContact O-N 2.99Å; P21-K23 VanDerWaalsContact O-N 3.08Å; K23-I26 PolarHBondContact O-N 2.96Å; K23-K27 WeakPolarHBondContact O-CB 3.36Å; K23-K27 PolarHBondContact O-N 3.15Å; K23-I47 HydrophobicContact CB-CG2 3.94Å; K23-I47 HydrophobicContact CG-CG2 4.2Å; K23-A51 HydrophobicContact CG-CB 4.17Å
24D86.4Confident83.5Confident74 Ų7463.8 Ų63.840%0.39630%0.3SS..Hα-helixtrans-69.3-39.4178.6-73.5-87000112W10 P21 K22 K27 F28W10-D24 HydrophobicContact CH2-CB 4.26Å; W10-D24 HydrophobicContact CZ2-CB 4.48Å; P21-D24 WeakPolarHBondContact CB-OD2 3.44Å; P21-D24 VanDerWaalsContact CG-OD2 3.3Å; P21-D24 WeakPolarHBondContact CG-OD2 3.44Å; P21-D24 PolarHBondContact O-N 2.87Å; P21-D24 VanDerWaalsContact O-N 3.1Å; K22-D24 PolarHBondContact O-N 3.29Å; D24-K27 PolarHBondContact O-N 2.88Å; D24-F28 WeakPolarHBondContact O-CB 3.49Å; D24-F28 PolarHBondContact O-N 3.3Å
25I87.3Confident83.5Confident0 Ų063.2 Ų63.20%030%0.3CS..Hα-helixtrans-62.4-46.1174.8-46.4173.7000110.2L15 L20 K22 F28 L29 L59L15-I25 HydrophobicContact CD2-CD1 3.95Å; L15-I25 HydrophobicContact CD2-CG1 3.98Å; L15-I25 HydrophobicContact CD2-CG2 3.92Å; L20-I25 HydrophobicContact CD2-CD1 3.54Å; L20-I25 HydrophobicContact CD2-CG1 3.13Å; K22-I25 PolarHBondContact O-N 2.78Å; I25-F28 PolarHBondContact O-N 2.71Å; I25-L29 HydrophobicContact CG2-CD1 3.98Å; I25-L29 WeakPolarHBondContact O-CB 3.19Å; I25-L29 VanDerWaalsContact O-CG 3.28Å; I25-L29 WeakPolarHBondContact O-CG 3.5Å; I25-L29 PolarHBondContact O-N 2.97Å; I25-L59 HydrophobicContact CB-CB 4.46Å; I25-L59 HydrophobicContact CD1-CB 4.35Å; I25-L59 HydrophobicContact CD1-CD1 4.48Å; I25-L59 HydrophobicContact CG2-CB 3.99Å
26I89.4Confident83.3Confident0 Ų065.7 Ų65.70%032%0.317CS..Hα-helixtrans-63.3-44.9179-64.9159.2000110.4K22 K23 F28 L29 Q30 I47 V50 A51 L59K22-I26 VanDerWaalsContact O-CD1 3.31Å; K22-I26 WeakPolarHBondContact O-CD1 3.23Å; K22-I26 WeakPolarHBondContact O-CG1 3.46Å; K22-I26 PolarHBondContact O-N 3.2Å; K22-I26 VanDerWaalsContact O-N 3.08Å; K23-I26 PolarHBondContact O-N 2.96Å; I26-F28 VanDerWaalsContact C-N 3.34Å; I26-F28 PolarHBondContact O-N 3.19Å; I26-L29 PolarHBondContact O-N 2.53Å; I26-Q30 HydrophobicContact CG2-CG 4.3Å; I26-Q30 WeakPolarHBondContact O-CB 3.47Å; I26-Q30 WeakPolarHBondContact O-CG 2.95Å; I26-Q30 PolarHBondContact O-N 2.75Å; I26-I47 HydrophobicContact CB-CG2 4.15Å; I26-I47 HydrophobicContact CG2-CB 4.38Å; I26-I47 HydrophobicContact CG2-CG1 4.26Å; I26-I47 HydrophobicContact CG2-CG2 4.03Å; I26-V50 HydrophobicContact CD1-CB 4.28Å; I26-V50 HydrophobicContact CD1-CG1 3.92Å; I26-V50 HydrophobicContact CG1-CG1 4.07Å; I26-V50 HydrophobicContact CG2-CB 4.09Å; I26-V50 HydrophobicContact CG2-CG1 3.82Å; I26-A51 HydrophobicContact CD1-CB 3.64Å; I26-L59 HydrophobicContact CD1-CD1 4.06Å; I26-L59 HydrophobicContact CD1-CD2 4.2Å; I26-L59 HydrophobicContact CG1-CD1 3.9Å; I26-L59 HydrophobicContact CG1-CD2 3.45Å; I26-L59 VanDerWaalsContact CG1-CD2 3.45Å; I26-L59 HydrophobicContact CG1-CG 4.34Å
27K87.8Confident83.8Confident111 Ų11158.5 Ų58.548%0.48329%0.29SS..Hα-helixtrans-58.9-47.4177.7-174.4-175.7175.5-169.40110.8K23 D24 L29 Q30 E31 I47K23-K27 WeakPolarHBondContact O-CB 3.36Å; K23-K27 PolarHBondContact O-N 3.15Å; D24-K27 PolarHBondContact O-N 2.88Å; K27-L29 PolarHBondContact O-N 2.91Å; K27-Q30 PolarHBondContact O-N 3.28Å; K27-E31 WeakPolarHBondContact O-CB 3.3Å; K27-E31 PolarHBondContact O-N 2.88Å; K27-I47 HydrophobicContact CB-CD1 4.15Å; K27-I47 HydrophobicContact CG-CD1 4.25Å
28F87.3Confident84Confident25 Ų2556.8 Ų56.811%0.1128%0.278CS..Hα-helixtrans-59.2-48.2176.9-174.4-80.3000111.4P6 A9 W10 D24 I25 I26 Q30 E31 H32 Y63 F67P6-F28 HydrophobicContact CB-CZ 4.05Å; A9-F28 HydrophobicContact CB-CD2 4.12Å; A9-F28 HydrophobicContact CB-CE2 3.63Å; A9-F28 HydrophobicContact CB-CZ 4.19Å; W10-F28 HydrophobicContact CH2-CB 4Å; W10-F28 HydrophobicContact CH2-CD2 4.21Å; W10-F28 HydrophobicContact CH2-CG 4.33Å; W10-F28 HydrophobicContact CZ3-CB 3.62Å; W10-F28 AromaticContact CZ3-CD2 3.92Å; W10-F28 HydrophobicContact CZ3-CD2 3.92Å; W10-F28 AromaticContact CZ3-CG 3.76Å; W10-F28 HydrophobicContact CZ3-CG 3.76Å; D24-F28 WeakPolarHBondContact O-CB 3.49Å; D24-F28 PolarHBondContact O-N 3.3Å; I25-F28 PolarHBondContact O-N 2.71Å; I26-F28 VanDerWaalsContact C-N 3.34Å; I26-F28 PolarHBondContact O-N 3.19Å; F28-Q30 VanDerWaalsContact C-N 3.32Å; F28-Q30 PolarHBondContact O-N 2.89Å; F28-E31 PolarHBondContact O-N 3.4Å; F28-H32 AromaticContact CD1-CD2 3.69Å; F28-H32 AromaticContact CD2-CD2 3.53Å; F28-H32 AromaticContact CD2-NE2 3.82Å; F28-H32 HydrophobicContact CE1-CB 4.29Å; F28-H32 AromaticContact CE1-CD2 3.55Å; F28-H32 AromaticContact CE2-CD2 3.39Å; F28-H32 WeakPolarHBondContact CE2-CD2 3.34Å; F28-H32 AromaticContact CE2-NE2 3.54Å; F28-H32 AromaticContact CG-CD2 3.69Å; F28-H32 AromaticContact CZ-CD2 3.41Å; F28-H32 VanDerWaalsContact CZ-CD2 3.41Å; F28-H32 WeakPolarHBondContact CZ-CD2 3.02Å; F28-H32 AromaticContact CZ-NE2 3.91Å; F28-H32 VanDerWaalsContact O-CB 3.3Å; F28-H32 WeakPolarHBondContact O-CB 3.22Å; F28-H32 PolarHBondContact O-CD2 2.78Å; F28-H32 VanDerWaalsContact O-CD2 3.24Å; F28-H32 PolarHBondContact O-N 2.79Å; F28-Y63 HydrophobicContact CD1-CD2 4.03Å; F28-Y63 AromaticContact CD1-CE2 3.43Å; F28-Y63 HydrophobicContact CD1-CE2 3.43Å; F28-Y63 VanDerWaalsContact CD1-CE2 3.43Å; F28-Y63 HydrophobicContact CE1-CD2 4.28Å; F28-Y63 AromaticContact CE1-CE2 3.42Å; F28-Y63 HydrophobicContact CE1-CE2 3.42Å; F28-Y63 VanDerWaalsContact CE1-CE2 3.42Å; F28-Y63 HydrophobicContact CG-CE2 4.24Å; F28-Y63 HydrophobicContact CZ-CE2 4.2Å; F28-F67 AromaticContact CE1-CE2 3.87Å; F28-F67 HydrophobicContact CE1-CE2 3.87Å; F28-F67 AromaticContact CE1-CZ 3.91Å; F28-F67 HydrophobicContact CE1-CZ 3.91Å; F28-F67 HydrophobicContact CZ-CE2 4.47Å; F28-F67 HydrophobicContact CZ-CZ 4.06Å
29L86.4Confident84.1Confident0 Ų050.4 Ų50.40%026%0.257CS..Hα-helixtrans-58.6-43.6177.3-74.3169000111.2I25 I26 K27 H32 G33 F37 L38 L43 L59 A62 Y63 L66I25-L29 HydrophobicContact CG2-CD1 3.98Å; I25-L29 WeakPolarHBondContact O-CB 3.19Å; I25-L29 VanDerWaalsContact O-CG 3.28Å; I25-L29 WeakPolarHBondContact O-CG 3.5Å; I25-L29 PolarHBondContact O-N 2.97Å; I26-L29 PolarHBondContact O-N 2.53Å; K27-L29 PolarHBondContact O-N 2.91Å; L29-H32 PolarHBondContact O-N 2.88Å; L29-G33 WeakPolarHBondContact O-CA 3.5Å; L29-G33 PolarHBondContact O-N 2.84Å; L29-F37 HydrophobicContact CD2-CE1 4.42Å; L29-L38 HydrophobicContact CB-CD2 4.29Å; L29-L38 WeakPolarHBondContact O-CD2 3.38Å; L29-L43 HydrophobicContact CB-CD1 4.2Å; L29-L43 HydrophobicContact CD1-CD1 3.58Å; L29-L43 HydrophobicContact CG-CD1 4.38Å; L29-L59 HydrophobicContact CD1-CD2 4.39Å; L29-A62 HydrophobicContact CD1-CB 4.19Å; L29-Y63 HydrophobicContact CD2-CD2 4.18Å; L29-Y63 HydrophobicContact CG-CD2 4.48Å; L29-L66 HydrophobicContact CD2-CB 4.27Å; L29-L66 HydrophobicContact CD2-CD2 3.66Å
30Q86Confident84.1Confident37 Ų3747 Ų4717%0.17324%0.241CC..Hα-helixtrans-70.3-31179.1-72.1-179.6-7.500114.1I26 K27 F28 L38 L43 G45 I47I26-Q30 HydrophobicContact CG2-CG 4.3Å; I26-Q30 WeakPolarHBondContact O-CB 3.47Å; I26-Q30 WeakPolarHBondContact O-CG 2.95Å; I26-Q30 PolarHBondContact O-N 2.75Å; K27-Q30 PolarHBondContact O-N 3.28Å; F28-Q30 VanDerWaalsContact C-N 3.32Å; F28-Q30 PolarHBondContact O-N 2.89Å; Q30-L38 HydrophobicContact CB-CD1 4.44Å; Q30-L38 HydrophobicContact CG-CD1 4.44Å; Q30-L38 HydrophobicContact CG-CD2 4.25Å; Q30-L43 WeakPolarHBondContact CG-O 3.32Å; Q30-L43 PolarHBondContact NE2-O 2.93Å; Q30-G45 PolarHBondContact NE2-O 3.13Å; Q30-I47 VanDerWaalsContact OE1-CG1 3.27Å
31E82Confident84.3Confident109 Ų10947.4 Ų47.451%0.50924%0.243SC..Hα-helixtrans-73.6-34.4178.5-164.5172111.800111.3K27 F28 K73K27-E31 WeakPolarHBondContact O-CB 3.3Å; K27-E31 PolarHBondContact O-N 2.88Å; F28-E31 PolarHBondContact O-N 3.4Å; E31-K73 WeakPolarHBondContact O-CD 3.38Å
32H84.6Confident84.2Confident43 Ų4352.9 Ų52.920%0.19926%0.26CS..Hα-helixtrans-114.2-20.7-168.4-69.2-49.3000115.3P6 F28 L29 F72 K73P6-H32 HydrophobicContact CB-CB 4.18Å; P6-H32 WeakPolarHBondContact CB-ND1 3.4Å; P6-H32 HydrophobicContact CG-CB 3.42Å; P6-H32 VanDerWaalsContact CG-CB 3.42Å; P6-H32 WeakPolarHBondContact CG-ND1 3.11Å; F28-H32 AromaticContact CD1-CD2 3.69Å; F28-H32 AromaticContact CD2-CD2 3.53Å; F28-H32 AromaticContact CD2-NE2 3.82Å; F28-H32 HydrophobicContact CE1-CB 4.29Å; F28-H32 AromaticContact CE1-CD2 3.55Å; F28-H32 AromaticContact CE2-CD2 3.39Å; F28-H32 WeakPolarHBondContact CE2-CD2 3.34Å; F28-H32 AromaticContact CE2-NE2 3.54Å; F28-H32 AromaticContact CG-CD2 3.69Å; F28-H32 AromaticContact CZ-CD2 3.41Å; F28-H32 VanDerWaalsContact CZ-CD2 3.41Å; F28-H32 WeakPolarHBondContact CZ-CD2 3.02Å; F28-H32 AromaticContact CZ-NE2 3.91Å; F28-H32 VanDerWaalsContact O-CB 3.3Å; F28-H32 WeakPolarHBondContact O-CB 3.22Å; F28-H32 PolarHBondContact O-CD2 2.78Å; F28-H32 VanDerWaalsContact O-CD2 3.24Å; F28-H32 PolarHBondContact O-N 2.79Å; L29-H32 PolarHBondContact O-N 2.88Å; H32-F72 CarbonylContact O-C 3.46Å; H32-F72 WeakPolarHBondContact O-CA 3.36Å; H32-F72 WeakPolarHBondContact O-CB 3.28Å; H32-K73 PolarHBondContact O-N 3.03Å
33G81.6Confident84.1Confident0 Ų049.4 Ų49.40%025%0.245CC..BIsolated β-bridgetrans-82.5144.6177.600000111.7L29 K73L29-G33 WeakPolarHBondContact O-CA 3.5Å; L29-G33 PolarHBondContact O-N 2.84Å; G33-K73 WeakPolarHBondContact O-CB 3.39Å
34S82.3Confident83.7Confident1 Ų148 Ų481%0.00724%0.243CC..  trans-66.9150.6172.666.40000111.4S36 F37 L38 R71 E76S34-S36 PolarHBondContact O-N 2.73Å; S34-F37 WeakPolarHBondContact O-CB 3.2Å; S34-F37 PolarHBondContact O-N 3.49Å; S34-F37 WeakPolarHBondContact OG-CB 3.42Å; S34-F37 PolarHBondContact OG-N 3.08Å; S34-L38 VanDerWaalsContact O-CG 3.31Å; S34-L38 WeakPolarHBondContact O-CG 3.08Å; S34-L38 PolarHBondContact O-N 3.2Å; S34-R71 WeakPolarHBondContact CB-O 3.48Å; S34-R71 PolarHBondContact N-O 2.74Å; S34-R71 PolarHBondContact OG-O 2.7Å; S34-E76 WeakPolarHBondContact CB-OE2 3.43Å
35D79.3Confident83.3Confident85 Ų8546.8 Ų46.846%0.45525%0.247SC..Hα-helixtrans-59.8-37.6-177.2-64.9-82.7000110.8L38 A39 L44 E76D35-L38 PolarHBondContact O-N 3.13Å; D35-A39 WeakPolarHBondContact O-CB 3.42Å; D35-A39 PolarHBondContact O-N 3.49Å; D35-L44 WeakPolarHBondContact O-CD1 3.26Å; D35-E76 PolarHBondContact N-OE2 3.44Å
36S75.4Confident83.3Confident51 Ų5151.7 Ų51.736%0.35727%0.273SS..Hα-helixtrans-65.3-39.8173.9-65.80000113.3S34 A39 E40 E76S34-S36 PolarHBondContact O-N 2.73Å; S36-A39 PolarHBondContact O-N 3.41Å; S36-E40 PolarHBondContact O-N 3.28Å; S36-E40 VanDerWaalsContact O-N 3.13Å; S36-E76 WeakPolarHBondContact CB-OE1 3.13Å; S36-E76 PolarHBondContact N-OE2 2.8Å; S36-E76 VanDerWaalsContact N-OE2 3.1Å; S36-E76 PolarHBondContact OG-OE1 3.22Å; S36-E76 PolarHBondContact OG-OE2 2.95Å
37F85.2Confident83.1Confident0 Ų054 Ų540%029%0.285CS..Hα-helixtrans-65.1-43.2176.5177-89.9000111.6L29 S34 A39 E40 H41 A62 H65 L66 R71L29-F37 HydrophobicContact CD2-CE1 4.42Å; S34-F37 WeakPolarHBondContact O-CB 3.2Å; S34-F37 PolarHBondContact O-N 3.49Å; S34-F37 WeakPolarHBondContact OG-CB 3.42Å; S34-F37 PolarHBondContact OG-N 3.08Å; F37-A39 VanDerWaalsContact C-N 3.27Å; F37-A39 PolarHBondContact O-N 3.08Å; F37-E40 PolarHBondContact O-N 3.12Å; F37-H41 AromaticContact CD2-CD2 3.99Å; F37-H41 AromaticContact CE1-CD2 3.8Å; F37-H41 AromaticContact CE2-CD2 3.49Å; F37-H41 VanDerWaalsContact CE2-CD2 3.49Å; F37-H41 WeakPolarHBondContact CE2-CD2 2.99Å; F37-H41 AromaticContact CE2-NE2 3.47Å; F37-H41 WeakPolarHBondContact CE2-NE2 3.24Å; F37-H41 AromaticContact CZ-CD2 3.34Å; F37-H41 WeakPolarHBondContact CZ-CD2 3.04Å; F37-H41 AromaticContact CZ-NE2 3.53Å; F37-H41 PolarHBondContact O-N 3.09Å; F37-A62 HydrophobicContact CZ-CB 4.42Å; F37-A62 WeakPolarHBondContact CZ-O 3.5Å; F37-H65 HydrophobicContact CE2-CB 4.33Å; F37-H65 AromaticContact CE2-ND1 3.56Å; F37-H65 HydrophobicContact CZ-CB 4.44Å; F37-L66 HydrophobicContact CD1-CB 4.46Å; F37-L66 HydrophobicContact CD1-CD1 3.82Å; F37-L66 HydrophobicContact CD2-CD1 4.35Å; F37-L66 HydrophobicContact CE1-CB 3.76Å; F37-L66 HydrophobicContact CE1-CD1 3.99Å; F37-L66 HydrophobicContact CE1-CG 4.32Å; F37-L66 HydrophobicContact CE2-CB 4.13Å; F37-L66 HydrophobicContact CE2-CD1 4.46Å; F37-L66 HydrophobicContact CG-CD1 4.04Å; F37-L66 HydrophobicContact CZ-CB 3.59Å; F37-L66 HydrophobicContact CZ-CD1 4.33Å; F37-R71 HydrophobicContact CB-CB 4.02Å; F37-R71 HydrophobicContact CD2-CB 3.96Å; F37-R71 HydrophobicContact CG-CB 4.27Å
38L85Confident82.9Confident4 Ų455.4 Ų55.42%0.02129%0.291CS..Hα-helixtrans-65.3-32.7178-66.1169.6000111.8L29 Q30 S34 D35 K42 L43 L44L29-L38 HydrophobicContact CB-CD2 4.29Å; L29-L38 WeakPolarHBondContact O-CD2 3.38Å; Q30-L38 HydrophobicContact CB-CD1 4.44Å; Q30-L38 HydrophobicContact CG-CD1 4.44Å; Q30-L38 HydrophobicContact CG-CD2 4.25Å; S34-L38 VanDerWaalsContact O-CG 3.31Å; S34-L38 WeakPolarHBondContact O-CG 3.08Å; S34-L38 PolarHBondContact O-N 3.2Å; D35-L38 PolarHBondContact O-N 3.13Å; L38-K42 PolarHBondContact O-N 3.24Å; L38-K42 VanDerWaalsContact O-N 3.16Å; L38-L43 HydrophobicContact CB-CB 4.5Å; L38-L43 HydrophobicContact CD2-CB 3.76Å; L38-L43 HydrophobicContact CD2-CD1 4.4Å; L38-L43 PolarHBondContact O-N 3.37Å; L38-L44 HydrophobicContact CB-CB 4.37Å; L38-L44 HydrophobicContact CB-CD1 3.95Å; L38-L44 HydrophobicContact CB-CG 3.8Å; L38-L44 PolarHBondContact O-N 2.67Å
39A80.4Confident82.8Confident57 Ų5759 Ų5947%0.47131%0.311SS..Hα-helixtrans-69.3-44.7177.400000110.9D35 S36 F37 H41 K42 L44D35-A39 WeakPolarHBondContact O-CB 3.42Å; D35-A39 PolarHBondContact O-N 3.49Å; S36-A39 PolarHBondContact O-N 3.41Å; F37-A39 VanDerWaalsContact C-N 3.27Å; F37-A39 PolarHBondContact O-N 3.08Å; A39-H41 VanDerWaalsContact C-N 3.32Å; A39-H41 PolarHBondContact O-N 2.88Å; A39-K42 PolarHBondContact O-N 3.3Å; A39-K42 VanDerWaalsContact O-N 3.07Å; A39-L44 HydrophobicContact CB-CD1 3.76Å
40E79.9Confident82.6Confident111 Ų11159.5 Ų59.552%0.51931%0.314SS..Hα-helixtrans-58.4-43179.1-167.4173.299.600111.9S36 F37 K42 R71S36-E40 PolarHBondContact O-N 3.28Å; S36-E40 VanDerWaalsContact O-N 3.13Å; F37-E40 PolarHBondContact O-N 3.12Å; E40-K42 VanDerWaalsContact C-N 3.35Å; E40-R71 IonicContact OE1-NH1 3.59Å; E40-R71 PolarHBondContact OE1-NH1 3.13Å; E40-R71 IonicContact OE2-CZ 3.64Å; E40-R71 IonicContact OE2-NH1 2.89Å; E40-R71 PolarHBondContact OE2-NH1 3.12Å; E40-R71 IonicContact OE2-NH2 2.73Å
41H83.3Confident82.6Confident29 Ų2958.3 Ų58.313%0.13431%0.311CS..THydrogen-bonded Turntrans-89.17178-72-81.3000114.2F37 A39 L43 H58 A62 H65F37-H41 AromaticContact CD2-CD2 3.99Å; F37-H41 AromaticContact CE1-CD2 3.8Å; F37-H41 AromaticContact CE2-CD2 3.49Å; F37-H41 VanDerWaalsContact CE2-CD2 3.49Å; F37-H41 WeakPolarHBondContact CE2-CD2 2.99Å; F37-H41 AromaticContact CE2-NE2 3.47Å; F37-H41 WeakPolarHBondContact CE2-NE2 3.24Å; F37-H41 AromaticContact CZ-CD2 3.34Å; F37-H41 WeakPolarHBondContact CZ-CD2 3.04Å; F37-H41 AromaticContact CZ-NE2 3.53Å; F37-H41 PolarHBondContact O-N 3.09Å; A39-H41 VanDerWaalsContact C-N 3.32Å; A39-H41 PolarHBondContact O-N 2.88Å; H41-L43 HydrophobicContact CB-CD1 3.84Å; H41-L43 HydrophobicContact CB-CG 3.86Å; H41-L43 WeakPolarHBondContact O-CG 3.32Å; H41-L43 PolarHBondContact O-N 3.09Å; H41-H58 AromaticContact ND1-NE2 3.81Å; H41-H58 PolarHBondContact O-NE2 3.45Å; H41-A62 HydrophobicContact CB-CB 4.26Å; H41-H65 AromaticContact CE1-ND1 3.9Å; H41-H65 AromaticContact NE2-ND1 3.2Å; H41-H65 PolarHBondContact NE2-ND1 3.39Å; H41-H65 VanDerWaalsContact NE2-ND1 3.2Å
42K83.9Confident82.9Confident183 Ų18361.4 Ų61.480%0.79632%0.323SS*.THydrogen-bonded Turntrans53.633.8-176.6-56.1-178.8-179.3-178.20113.8L38 A39 E40L38-K42 PolarHBondContact O-N 3.24Å; L38-K42 VanDerWaalsContact O-N 3.16Å; A39-K42 PolarHBondContact O-N 3.3Å; A39-K42 VanDerWaalsContact O-N 3.07Å; E40-K42 VanDerWaalsContact C-N 3.35Å
43L86.1Confident82.7Confident1 Ų165.2 Ų65.21%0.00535%0.349CS..  trans-971.4179.1-60.7177000112.8L29 Q30 L38 H41 V50 A54 L59 A62L29-L43 HydrophobicContact CB-CD1 4.2Å; L29-L43 HydrophobicContact CD1-CD1 3.58Å; L29-L43 HydrophobicContact CG-CD1 4.38Å; Q30-L43 WeakPolarHBondContact CG-O 3.32Å; Q30-L43 PolarHBondContact NE2-O 2.93Å; L38-L43 HydrophobicContact CB-CB 4.5Å; L38-L43 HydrophobicContact CD2-CB 3.76Å; L38-L43 HydrophobicContact CD2-CD1 4.4Å; L38-L43 PolarHBondContact O-N 3.37Å; H41-L43 HydrophobicContact CB-CD1 3.84Å; H41-L43 HydrophobicContact CB-CG 3.86Å; H41-L43 WeakPolarHBondContact O-CG 3.32Å; H41-L43 PolarHBondContact O-N 3.09Å; L43-V50 HydrophobicContact CD2-CG1 3.68Å; L43-A54 HydrophobicContact CD2-CB 4.43Å; L43-L59 HydrophobicContact CD2-CD2 3.58Å; L43-A62 HydrophobicContact CD1-CB 3.79Å
44L78.4Confident82.7Confident88 Ų8865.7 Ų65.746%0.46135%0.354SS..  trans-77.7138.6175.8-113.4154.1000111.4D35 L38 A39D35-L44 WeakPolarHBondContact O-CD1 3.26Å; L38-L44 HydrophobicContact CB-CB 4.37Å; L38-L44 HydrophobicContact CB-CD1 3.95Å; L38-L44 HydrophobicContact CB-CG 3.8Å; L38-L44 PolarHBondContact O-N 2.67Å; A39-L44 HydrophobicContact CB-CD1 3.76Å
45G78.6Confident83Confident47 Ų4771.3 Ų71.349%0.48538%0.384SS..SBendtrans110.2-160.9176.800000114.4Q30 I47Q30-G45 PolarHBondContact NE2-O 3.13Å; G45-I47 PolarHBondContact O-N 2.84Å
46N85.8Confident83.1Confident103 Ų10369.5 Ų69.555%0.55137%0.372SS*.  trans-70.7124.2-172.4-165.2-52.9000111.8K48 N49 V50N46-K48 PolarHBondContact O-N 3.31Å; N46-K48 PolarHBondContact OD1-N 3.16Å; N46-K48 VanDerWaalsContact OD1-N 3.09Å; N46-N49 PolarHBondContact O-N 3.27Å; N46-V50 PolarHBondContact O-N 3.23Å
47I86.4Confident83.3Confident49 Ų4971 Ų7125%0.25138%0.376SS..Hα-helixtrans-48.9-37.3-179.1-58159.1000112.2K23 I26 K27 Q30 G45 N49 A51K23-I47 HydrophobicContact CB-CG2 3.94Å; K23-I47 HydrophobicContact CG-CG2 4.2Å; I26-I47 HydrophobicContact CB-CG2 4.15Å; I26-I47 HydrophobicContact CG2-CB 4.38Å; I26-I47 HydrophobicContact CG2-CG1 4.26Å; I26-I47 HydrophobicContact CG2-CG2 4.03Å; K27-I47 HydrophobicContact CB-CD1 4.15Å; K27-I47 HydrophobicContact CG-CD1 4.25Å; Q30-I47 VanDerWaalsContact OE1-CG1 3.27Å; G45-I47 PolarHBondContact O-N 2.84Å; I47-N49 PolarHBondContact O-N 2.91Å; I47-A51 WeakPolarHBondContact O-CB 3.14Å; I47-A51 PolarHBondContact O-N 2.82Å
48K83.6Confident83.4Confident140 Ų14075.1 Ų75.161%0.60940%0.395SS*.Hα-helixtrans-67.2-34.9179.4-68.6-178.7-177.2177.40112.9N46 K52N46-K48 PolarHBondContact O-N 3.31Å; N46-K48 PolarHBondContact OD1-N 3.16Å; N46-K48 VanDerWaalsContact OD1-N 3.09Å; K48-K52 WeakPolarHBondContact O-CG 3.09Å
49N84.8Confident83.4Confident100 Ų10075 Ų7554%0.53539%0.394SS..Hα-helixtrans-78.5-44.7177-74.6-2.5000110.4N46 I47 A51 K52 T53N46-N49 PolarHBondContact O-N 3.27Å; I47-N49 PolarHBondContact O-N 2.91Å; N49-A51 VanDerWaalsContact C-N 3.27Å; N49-A51 PolarHBondContact O-N 3.03Å; N49-K52 WeakPolarHBondContact O-CB 3.41Å; N49-K52 PolarHBondContact O-N 3.26Å; N49-T53 PolarHBondContact O-N 2.79Å; N49-T53 PolarHBondContact O-OG1 2.83Å
50V82.9Confident83.6Confident11 Ų1172.4 Ų72.47%0.06737%0.372CS..Hα-helixtrans-58.4-40.1176.1-179.70000110.8I26 L43 N46 K52 T53 A54I26-V50 HydrophobicContact CD1-CB 4.28Å; I26-V50 HydrophobicContact CD1-CG1 3.92Å; I26-V50 HydrophobicContact CG1-CG1 4.07Å; I26-V50 HydrophobicContact CG2-CB 4.09Å; I26-V50 HydrophobicContact CG2-CG1 3.82Å; L43-V50 HydrophobicContact CD2-CG1 3.68Å; N46-V50 PolarHBondContact O-N 3.23Å; V50-K52 VanDerWaalsContact C-N 3.26Å; V50-K52 PolarHBondContact O-N 2.93Å; V50-T53 PolarHBondContact O-N 2.82Å; V50-A54 HydrophobicContact CG1-CB 4.24Å; V50-A54 WeakPolarHBondContact O-CB 3.48Å; V50-A54 PolarHBondContact O-N 3.34Å
51A86.2Confident83.8Confident13 Ų1370.6 Ų70.611%0.10737%0.369CS..Hα-helixtrans-67.1-22177.900000114.8K22 K23 I26 I47 N49K22-A51 PolarHBondContact NZ-O 2.74Å; K23-A51 HydrophobicContact CG-CB 4.17Å; I26-A51 HydrophobicContact CD1-CB 3.64Å; I47-A51 WeakPolarHBondContact O-CB 3.14Å; I47-A51 PolarHBondContact O-N 2.82Å; N49-A51 VanDerWaalsContact C-N 3.27Å; N49-A51 PolarHBondContact O-N 3.03Å
52K86.4Confident83.9Confident173 Ų17369.2 Ų69.275%0.75236%0.363SS*.Hα-helixtrans-79.8-32.8174-72176.3179.6-177.40111.7K48 N49 V50K48-K52 WeakPolarHBondContact O-CG 3.09Å; N49-K52 WeakPolarHBondContact O-CB 3.41Å; N49-K52 PolarHBondContact O-N 3.26Å; V50-K52 VanDerWaalsContact C-N 3.26Å; V50-K52 PolarHBondContact O-N 2.93Å
53T81.1Confident84Confident123 Ų12360.6 Ų60.676%0.75533%0.325SS*.Hα-helixtrans-95-30.1-176-40.90000112.9N49 V50N49-T53 PolarHBondContact O-N 2.79Å; N49-T53 PolarHBondContact O-OG1 2.83Å; V50-T53 PolarHBondContact O-N 2.82Å
54A82.7Confident83.8Confident11 Ų1162.2 Ų62.29%0.09133%0.334CS..  trans-91.4127.9-176.900000112.6L43 V50 L59L43-A54 HydrophobicContact CD2-CB 4.43Å; V50-A54 HydrophobicContact CG1-CB 4.24Å; V50-A54 WeakPolarHBondContact O-CB 3.48Å; V50-A54 PolarHBondContact O-N 3.34Å; A54-L59 HydrophobicContact CB-CD2 3.91Å; A54-L59 HydrophobicContact CB-CG 4.17Å
55N86.6Confident83.9Confident119 Ų11960.9 Ų60.964%0.63633%0.325SS*.  trans-79.6153174-74.9-26.3000111.7D57 H58 L59N55-D57 VanDerWaalsContact C-N 3.31Å; N55-D57 PolarHBondContact O-N 2.88Å; N55-H58 HydrophobicContact CB-CB 4.44Å; N55-H58 WeakPolarHBondContact O-CB 3.31Å; N55-H58 PolarHBondContact O-N 3.48Å; N55-H58 VanDerWaalsContact O-N 3.12Å; N55-L59 WeakPolarHBondContact O-CG 3.44Å; N55-L59 PolarHBondContact O-N 3.24Å
56K82.9Confident84.1Confident47 Ų4758.6 Ų58.620%0.20430%0.302CS..Hα-helixtrans-56.2-45.1-177.6-16287.4147100.40111.7L15 S17 L20 K22 H58 L59 V60L15-K56 PolarHBondContact O-NZ 3.29Å; S17-K56 WeakPolarHBondContact O-CE 3.2Å; S17-K56 PolarHBondContact O-NZ 3.18Å; L20-K56 WeakPolarHBondContact O-CE 3.34Å; L20-K56 PolarHBondContact O-NZ 2.99Å; K22-K56 HydrophobicContact CD-CD 4.23Å; K22-K56 HydrophobicContact CG-CD 3.59Å; K56-H58 VanDerWaalsContact C-N 3.34Å; K56-H58 PolarHBondContact O-N 3.33Å; K56-L59 WeakPolarHBondContact O-CB 3.32Å; K56-L59 PolarHBondContact O-N 2.67Å; K56-L59 VanDerWaalsContact O-N 3.17Å; K56-V60 WeakPolarHBondContact O-CG2 3.37Å; K56-V60 PolarHBondContact O-N 2.91Å
57D79.9Confident83.6Confident83 Ų8355 Ų5544%0.44428%0.282SS..Hα-helixtrans-66.8-35179.9-166.5-105000112.6R16 N55 L59 V60 T61R16-D57 IonicContact CZ-OD2 3.33Å; R16-D57 IonicContact NE-OD2 3.64Å; R16-D57 IonicContact NH2-OD2 3.05Å; R16-D57 PolarHBondContact NH2-OD2 3.27Å; N55-D57 VanDerWaalsContact C-N 3.31Å; N55-D57 PolarHBondContact O-N 2.88Å; D57-L59 VanDerWaalsContact C-N 3.33Å; D57-L59 PolarHBondContact O-N 3.24Å; D57-V60 PolarHBondContact O-N 2.89Å; D57-T61 WeakPolarHBondContact O-CB 3.48Å; D57-T61 PolarHBondContact O-N 3.16Å; D57-T61 PolarHBondContact O-OG1 3.31Å
58H85.4Confident83Confident86 Ų8660 Ų6040%0.39830%0.303SS..Hα-helixtrans-62.3-41.9172.1-166.8111.1000111.2H41 N55 K56 T61 A62H41-H58 AromaticContact ND1-NE2 3.81Å; H41-H58 PolarHBondContact O-NE2 3.45Å; N55-H58 HydrophobicContact CB-CB 4.44Å; N55-H58 WeakPolarHBondContact O-CB 3.31Å; N55-H58 PolarHBondContact O-N 3.48Å; N55-H58 VanDerWaalsContact O-N 3.12Å; K56-H58 VanDerWaalsContact C-N 3.34Å; K56-H58 PolarHBondContact O-N 3.33Å; H58-T61 PolarHBondContact O-N 3.15Å; H58-A62 WeakPolarHBondContact O-CB 3.39Å; H58-A62 PolarHBondContact O-N 2.99Å
59L86Confident82.4Confident0 Ų055.7 Ų55.70%029%0.289CS..Hα-helixtrans-66.3-39.2176.8-63.8173.3000112.1K22 I25 I26 L29 L43 A54 N55 K56 D57 T61 Y63K22-L59 HydrophobicContact CB-CD1 3.79Å; K22-L59 HydrophobicContact CD-CD1 4.15Å; K22-L59 HydrophobicContact CG-CD1 3.89Å; I25-L59 HydrophobicContact CB-CB 4.46Å; I25-L59 HydrophobicContact CD1-CB 4.35Å; I25-L59 HydrophobicContact CD1-CD1 4.48Å; I25-L59 HydrophobicContact CG2-CB 3.99Å; I26-L59 HydrophobicContact CD1-CD1 4.06Å; I26-L59 HydrophobicContact CD1-CD2 4.2Å; I26-L59 HydrophobicContact CG1-CD1 3.9Å; I26-L59 HydrophobicContact CG1-CD2 3.45Å; I26-L59 VanDerWaalsContact CG1-CD2 3.45Å; I26-L59 HydrophobicContact CG1-CG 4.34Å; L29-L59 HydrophobicContact CD1-CD2 4.39Å; L43-L59 HydrophobicContact CD2-CD2 3.58Å; A54-L59 HydrophobicContact CB-CD2 3.91Å; A54-L59 HydrophobicContact CB-CG 4.17Å; N55-L59 WeakPolarHBondContact O-CG 3.44Å; N55-L59 PolarHBondContact O-N 3.24Å; K56-L59 WeakPolarHBondContact O-CB 3.32Å; K56-L59 PolarHBondContact O-N 2.67Å; K56-L59 VanDerWaalsContact O-N 3.17Å; D57-L59 VanDerWaalsContact C-N 3.33Å; D57-L59 PolarHBondContact O-N 3.24Å; L59-T61 VanDerWaalsContact C-N 3.34Å; L59-Y63 VanDerWaalsContact O-CB 3.29Å; L59-Y63 WeakPolarHBondContact O-CB 3.06Å; L59-Y63 PolarHBondContact O-N 2.94Å
60V85.2Confident81.7Confident3 Ų357.7 Ų57.72%0.01829%0.293CS..Hα-helixtrans-64.7-41.9175.2-177.50000110.7V12 L15 R16 K56 D57 Y63 N64V12-V60 HydrophobicContact CG1-CG1 4.03Å; L15-V60 HydrophobicContact CB-CB 4.29Å; L15-V60 HydrophobicContact CB-CG1 4.02Å; L15-V60 HydrophobicContact CB-CG2 3.62Å; L15-V60 HydrophobicContact CD1-CG1 4.32Å; R16-V60 HydrophobicContact CG-CG1 4.3Å; R16-V60 HydrophobicContact CG-CG2 3.9Å; K56-V60 WeakPolarHBondContact O-CG2 3.37Å; K56-V60 PolarHBondContact O-N 2.91Å; D57-V60 PolarHBondContact O-N 2.89Å; V60-Y63 PolarHBondContact O-N 3.05Å; V60-N64 PolarHBondContact O-N 3.19Å; V60-N64 PolarHBondContact O-ND2 3.36Å
61T84.4Confident81.2Confident74 Ų7460.8 Ų60.845%0.45430%0.304SS..Hα-helixtrans-65.1-49.8178.8-59.10000110.8D57 H58 L59 Y63 N64 H65D57-T61 WeakPolarHBondContact O-CB 3.48Å; D57-T61 PolarHBondContact O-N 3.16Å; D57-T61 PolarHBondContact O-OG1 3.31Å; H58-T61 PolarHBondContact O-N 3.15Å; L59-T61 VanDerWaalsContact C-N 3.34Å; T61-Y63 VanDerWaalsContact C-N 3.27Å; T61-Y63 PolarHBondContact O-N 2.93Å; T61-N64 PolarHBondContact O-N 2.89Å; T61-H65 WeakPolarHBondContact O-CB 3.14Å; T61-H65 PolarHBondContact O-N 2.74Å
62A84.6Confident80.9Confident0 Ų060.4 Ų60.40%030%0.3CS..Hα-helixtrans-58.7-40.2175.300000111.5L29 F37 H41 L43 H58 H65 L66L29-A62 HydrophobicContact CD1-CB 4.19Å; F37-A62 HydrophobicContact CZ-CB 4.42Å; F37-A62 WeakPolarHBondContact CZ-O 3.5Å; H41-A62 HydrophobicContact CB-CB 4.26Å; L43-A62 HydrophobicContact CD1-CB 3.79Å; H58-A62 WeakPolarHBondContact O-CB 3.39Å; H58-A62 PolarHBondContact O-N 2.99Å; A62-H65 PolarHBondContact O-N 2.7Å; A62-L66 WeakPolarHBondContact O-CB 3.39Å; A62-L66 PolarHBondContact O-N 2.73Å
63Y84.9Confident80.1Confident1 Ų156.3 Ų56.30%0.00428%0.282CS..Hα-helixtrans-60.4-47.5174.6-171.3-88.9000112.8R8 A9 W10 L15 F28 L29 L59 V60 T61 F67R8-Y63 VanDerWaalsContact CA-OH 3.25Å; R8-Y63 WeakPolarHBondContact CA-OH 3.22Å; R8-Y63 HydrophobicContact CB-CE1 4.47Å; R8-Y63 HydrophobicContact CG-CE1 4.19Å; A9-Y63 PolarHBondContact N-OH 3.09Å; W10-Y63 HydrophobicContact CE3-CE2 4.06Å; W10-Y63 HydrophobicContact CZ3-CE2 4.44Å; W10-Y63 PolarHBondContact N-OH 3.08Å; L15-Y63 HydrophobicContact CD1-CD1 3.39Å; L15-Y63 HydrophobicContact CD1-CE1 3.82Å; L15-Y63 HydrophobicContact CD1-CG 3.84Å; L15-Y63 HydrophobicContact CD2-CD2 4.46Å; L15-Y63 HydrophobicContact CD2-CG 4.35Å; F28-Y63 HydrophobicContact CD1-CD2 4.03Å; F28-Y63 AromaticContact CD1-CE2 3.43Å; F28-Y63 HydrophobicContact CD1-CE2 3.43Å; F28-Y63 VanDerWaalsContact CD1-CE2 3.43Å; F28-Y63 HydrophobicContact CE1-CD2 4.28Å; F28-Y63 AromaticContact CE1-CE2 3.42Å; F28-Y63 HydrophobicContact CE1-CE2 3.42Å; F28-Y63 VanDerWaalsContact CE1-CE2 3.42Å; F28-Y63 HydrophobicContact CG-CE2 4.24Å; F28-Y63 HydrophobicContact CZ-CE2 4.2Å; L29-Y63 HydrophobicContact CD2-CD2 4.18Å; L29-Y63 HydrophobicContact CG-CD2 4.48Å; L59-Y63 VanDerWaalsContact O-CB 3.29Å; L59-Y63 WeakPolarHBondContact O-CB 3.06Å; L59-Y63 PolarHBondContact O-N 2.94Å; V60-Y63 PolarHBondContact O-N 3.05Å; T61-Y63 VanDerWaalsContact C-N 3.27Å; T61-Y63 PolarHBondContact O-N 2.93Å; Y63-F67 HydrophobicContact CD1-CD2 4.4Å; Y63-F67 HydrophobicContact CD1-CE2 4.35Å; Y63-F67 HydrophobicContact CD2-CE2 4.31Å; Y63-F67 HydrophobicContact CE1-CD2 4.2Å; Y63-F67 AromaticContact CE1-CE2 3.85Å; Y63-F67 HydrophobicContact CE1-CE2 3.85Å; Y63-F67 HydrophobicContact CE1-CZ 4.49Å; Y63-F67 AromaticContact CE2-CE2 3.84Å; Y63-F67 HydrophobicContact CE2-CE2 3.84Å; Y63-F67 AromaticContact CZ-CE2 3.57Å; Y63-F67 WeakPolarHBondContact O-CD2 3.18Å
64N82.6Confident79.1Confident36 Ų3652.5 Ų52.519%0.19327%0.267CS..Hα-helixtrans-66.3-43.3178.1-73.9-67.1000111.9R8 V60 T61 L66 F67 E68R8-N64 PolarHBondContact NH2-OD1 2.97Å; V60-N64 PolarHBondContact O-N 3.19Å; V60-N64 PolarHBondContact O-ND2 3.36Å; T61-N64 PolarHBondContact O-N 2.89Å; N64-L66 VanDerWaalsContact C-N 3.32Å; N64-L66 PolarHBondContact O-N 3.25Å; N64-F67 PolarHBondContact O-N 2.74Å; N64-F67 VanDerWaalsContact O-N 3.15Å; N64-E68 WeakPolarHBondContact O-CB 3.38Å; N64-E68 PolarHBondContact O-N 3.3Å
65H80.8Confident77.7Confident59 Ų5955.1 Ų55.127%0.27328%0.282SS..Hα-helixtrans-63.1-37.1-179.5-165.3-120.8000112.1F37 H41 T61 A62 F67 E68 T69F37-H65 HydrophobicContact CE2-CB 4.33Å; F37-H65 AromaticContact CE2-ND1 3.56Å; F37-H65 HydrophobicContact CZ-CB 4.44Å; H41-H65 AromaticContact CE1-ND1 3.9Å; H41-H65 AromaticContact NE2-ND1 3.2Å; H41-H65 PolarHBondContact NE2-ND1 3.39Å; H41-H65 VanDerWaalsContact NE2-ND1 3.2Å; T61-H65 WeakPolarHBondContact O-CB 3.14Å; T61-H65 PolarHBondContact O-N 2.74Å; A62-H65 PolarHBondContact O-N 2.7Å; H65-F67 VanDerWaalsContact C-N 3.28Å; H65-F67 PolarHBondContact O-N 2.81Å; H65-E68 PolarHBondContact O-N 3.41Å; H65-T69 VanDerWaalsContact NE2-CG2 3.32Å; H65-T69 WeakPolarHBondContact NE2-CG2 3.07Å; H65-T69 WeakPolarHBondContact O-CB 3.33Å; H65-T69 WeakPolarHBondContact O-CG2 3.38Å; H65-T69 PolarHBondContact O-N 3.4Å; H65-T69 PolarHBondContact O-OG1 2.89Å
66L82.5Confident75.8Confident0 Ų052.6 Ų52.60%027%0.266CS..Hα-helixtrans-56.7-43.8174.4176.861.5000111.7L29 F37 A62 N64 K70 R71 F72L29-L66 HydrophobicContact CD2-CB 4.27Å; L29-L66 HydrophobicContact CD2-CD2 3.66Å; F37-L66 HydrophobicContact CD1-CB 4.46Å; F37-L66 HydrophobicContact CD1-CD1 3.82Å; F37-L66 HydrophobicContact CD2-CD1 4.35Å; F37-L66 HydrophobicContact CE1-CB 3.76Å; F37-L66 HydrophobicContact CE1-CD1 3.99Å; F37-L66 HydrophobicContact CE1-CG 4.32Å; F37-L66 HydrophobicContact CE2-CB 4.13Å; F37-L66 HydrophobicContact CE2-CD1 4.46Å; F37-L66 HydrophobicContact CG-CD1 4.04Å; F37-L66 HydrophobicContact CZ-CB 3.59Å; F37-L66 HydrophobicContact CZ-CD1 4.33Å; A62-L66 WeakPolarHBondContact O-CB 3.39Å; A62-L66 PolarHBondContact O-N 2.73Å; N64-L66 VanDerWaalsContact C-N 3.32Å; N64-L66 PolarHBondContact O-N 3.25Å; L66-K70 WeakPolarHBondContact O-CA 3.44Å; L66-K70 PolarHBondContact O-N 3.33Å; L66-R71 WeakPolarHBondContact CD1-O 3.09Å; L66-R71 PolarHBondContact O-N 2.81Å; L66-F72 HydrophobicContact CD1-CD1 3.96Å; L66-F72 HydrophobicContact CD1-CE1 4.26Å; L66-F72 HydrophobicContact CD2-CD1 4.18Å; L66-F72 HydrophobicContact CD2-CE1 4.12Å; L66-F72 HydrophobicContact CG-CD1 3.92Å; L66-F72 HydrophobicContact CG-CE1 3.75Å
67F76.6Confident73.7Confident28 Ų2855 Ų5512%0.12329%0.289CS..Hα-helixtrans-79.3-32.3-178.6-79-102000113.3P6 R8 F28 Y63 N64 H65 F72P6-F67 WeakPolarHBondContact O-CE1 3.38Å; R8-F67 HydrophobicContact CB-CE1 4.16Å; R8-F67 HydrophobicContact CB-CZ 4.39Å; R8-F67 HydrophobicContact CG-CD1 3.45Å; R8-F67 VanDerWaalsContact CG-CD1 3.45Å; R8-F67 HydrophobicContact CG-CD2 4.29Å; R8-F67 HydrophobicContact CG-CE1 3.37Å; R8-F67 HydrophobicContact CG-CE2 4.24Å; R8-F67 HydrophobicContact CG-CG 3.91Å; R8-F67 HydrophobicContact CG-CZ 3.8Å; F28-F67 AromaticContact CE1-CE2 3.87Å; F28-F67 HydrophobicContact CE1-CE2 3.87Å; F28-F67 AromaticContact CE1-CZ 3.91Å; F28-F67 HydrophobicContact CE1-CZ 3.91Å; F28-F67 HydrophobicContact CZ-CE2 4.47Å; F28-F67 HydrophobicContact CZ-CZ 4.06Å; Y63-F67 HydrophobicContact CD1-CD2 4.4Å; Y63-F67 HydrophobicContact CD1-CE2 4.35Å; Y63-F67 HydrophobicContact CD2-CE2 4.31Å; Y63-F67 HydrophobicContact CE1-CD2 4.2Å; Y63-F67 AromaticContact CE1-CE2 3.85Å; Y63-F67 HydrophobicContact CE1-CE2 3.85Å; Y63-F67 HydrophobicContact CE1-CZ 4.49Å; Y63-F67 AromaticContact CE2-CE2 3.84Å; Y63-F67 HydrophobicContact CE2-CE2 3.84Å; Y63-F67 AromaticContact CZ-CE2 3.57Å; Y63-F67 WeakPolarHBondContact O-CD2 3.18Å; N64-F67 PolarHBondContact O-N 2.74Å; N64-F67 VanDerWaalsContact O-N 3.15Å; H65-F67 VanDerWaalsContact C-N 3.28Å; H65-F67 PolarHBondContact O-N 2.81Å; F67-F72 HydrophobicContact CB-CZ 4.42Å; F67-F72 HydrophobicContact CD1-CE1 4.22Å; F67-F72 AromaticContact CD1-CZ 3.81Å; F67-F72 HydrophobicContact CD1-CZ 3.81Å; F67-F72 HydrophobicContact CD2-CE1 4.24Å; F67-F72 HydrophobicContact CD2-CZ 4.42Å; F67-F72 HydrophobicContact CE1-CE1 4.26Å; F67-F72 HydrophobicContact CE1-CZ 4.19Å; F67-F72 HydrophobicContact CE2-CE1 4.29Å; F67-F72 HydrophobicContact CG-CE1 4.24Å; F67-F72 AromaticContact CG-CZ 3.97Å; F67-F72 HydrophobicContact CG-CZ 3.97Å; F67-F72 HydrophobicContact CZ-CE1 4.3Å
68E73.3Confident72.1Confident152 Ų15257.4 Ų57.471%0.7130%0.301SS*.Hα-helixtrans-70-47.9176.4-171.517092.800111.1N64 H65 K70N64-E68 WeakPolarHBondContact O-CB 3.38Å; N64-E68 PolarHBondContact O-N 3.3Å; H65-E68 PolarHBondContact O-N 3.41Å; E68-K70 VanDerWaalsContact C-N 3.28Å; E68-K70 PolarHBondContact O-N 2.86Å
69T69.6Low69.7Low51 Ų5157.3 Ų57.331%0.31331%0.31SS..Hα-helixtrans-80.7-10.3179.663.10000113.5H65 R71H65-T69 VanDerWaalsContact NE2-CG2 3.32Å; H65-T69 WeakPolarHBondContact NE2-CG2 3.07Å; H65-T69 WeakPolarHBondContact O-CB 3.33Å; H65-T69 WeakPolarHBondContact O-CG2 3.38Å; H65-T69 PolarHBondContact O-N 3.4Å; H65-T69 PolarHBondContact O-OG1 2.89Å; T69-R71 PolarHBondContact O-N 2.98Å; T69-R71 VanDerWaalsContact O-N 3.13Å; T69-R71 WeakPolarHBondContact OG1-CG 3.28Å
70K71.4Confident67.1Low142 Ų14266.8 Ų66.862%0.61735%0.351SS*.THydrogen-bonded Turntrans51.630.9-176.4-56.9-164.6178.8-175.50114.1L66 E68 F72L66-K70 WeakPolarHBondContact O-CA 3.44Å; L66-K70 PolarHBondContact O-N 3.33Å; E68-K70 VanDerWaalsContact C-N 3.28Å; E68-K70 PolarHBondContact O-N 2.86Å; K70-F72 VanDerWaalsContact CA-CE2 3.49Å; K70-F72 HydrophobicContact CB-CD2 4.15Å; K70-F72 HydrophobicContact CB-CE2 3.88Å; K70-F72 HydrophobicContact CG-CE2 4.18Å; K70-F72 WeakPolarHBondContact O-CD2 3.48Å; K70-F72 PolarHBondContact O-N 3.22Å
71R71.8Confident64.8Low76 Ų7671.4 Ų71.429%0.28738%0.379SS..  trans-81.553.4-178.5-65.9-178.777.7-174.17.2112.1S34 F37 E40 L66 T69S34-R71 WeakPolarHBondContact CB-O 3.48Å; S34-R71 PolarHBondContact N-O 2.74Å; S34-R71 PolarHBondContact OG-O 2.7Å; F37-R71 HydrophobicContact CB-CB 4.02Å; F37-R71 HydrophobicContact CD2-CB 3.96Å; F37-R71 HydrophobicContact CG-CB 4.27Å; E40-R71 IonicContact OE1-NH1 3.59Å; E40-R71 PolarHBondContact OE1-NH1 3.13Å; E40-R71 IonicContact OE2-CZ 3.64Å; E40-R71 IonicContact OE2-NH1 2.89Å; E40-R71 PolarHBondContact OE2-NH1 3.12Å; E40-R71 IonicContact OE2-NH2 2.73Å; L66-R71 WeakPolarHBondContact CD1-O 3.09Å; L66-R71 PolarHBondContact O-N 2.81Å; T69-R71 PolarHBondContact O-N 2.98Å; T69-R71 VanDerWaalsContact O-N 3.13Å; T69-R71 WeakPolarHBondContact OG1-CG 3.28Å
72F79.8Confident62.6Low5 Ų572.6 Ų72.62%0.02239%0.39CS..BIsolated β-bridgetrans-77.5154.6-178.7-57.2-74.1000112.6V5 P6 H32 L66 F67 K70 G74 T75V5-F72 HydrophobicContact CB-CD2 4.39Å; V5-F72 HydrophobicContact CB-CE2 4.33Å; V5-F72 HydrophobicContact CG1-CD2 3.92Å; V5-F72 HydrophobicContact CG1-CE2 3.4Å; V5-F72 HydrophobicContact CG1-CZ 3.73Å; V5-F72 HydrophobicContact CG2-CD2 4Å; V5-F72 HydrophobicContact CG2-CE2 4.23Å; P6-F72 HydrophobicContact CG-CD1 3.57Å; P6-F72 HydrophobicContact CG-CE1 3.7Å; P6-F72 HydrophobicContact CG-CG 4.42Å; H32-F72 CarbonylContact O-C 3.46Å; H32-F72 WeakPolarHBondContact O-CA 3.36Å; H32-F72 WeakPolarHBondContact O-CB 3.28Å; L66-F72 HydrophobicContact CD1-CD1 3.96Å; L66-F72 HydrophobicContact CD1-CE1 4.26Å; L66-F72 HydrophobicContact CD2-CD1 4.18Å; L66-F72 HydrophobicContact CD2-CE1 4.12Å; L66-F72 HydrophobicContact CG-CD1 3.92Å; L66-F72 HydrophobicContact CG-CE1 3.75Å; F67-F72 HydrophobicContact CB-CZ 4.42Å; F67-F72 HydrophobicContact CD1-CE1 4.22Å; F67-F72 AromaticContact CD1-CZ 3.81Å; F67-F72 HydrophobicContact CD1-CZ 3.81Å; F67-F72 HydrophobicContact CD2-CE1 4.24Å; F67-F72 HydrophobicContact CD2-CZ 4.42Å; F67-F72 HydrophobicContact CE1-CE1 4.26Å; F67-F72 HydrophobicContact CE1-CZ 4.19Å; F67-F72 HydrophobicContact CE2-CE1 4.29Å; F67-F72 HydrophobicContact CG-CE1 4.24Å; F67-F72 AromaticContact CG-CZ 3.97Å; F67-F72 HydrophobicContact CG-CZ 3.97Å; F67-F72 HydrophobicContact CZ-CE1 4.3Å; K70-F72 VanDerWaalsContact CA-CE2 3.49Å; K70-F72 HydrophobicContact CB-CD2 4.15Å; K70-F72 HydrophobicContact CB-CE2 3.88Å; K70-F72 HydrophobicContact CG-CE2 4.18Å; K70-F72 WeakPolarHBondContact O-CD2 3.48Å; K70-F72 PolarHBondContact O-N 3.22Å; F72-G74 PolarHBondContact O-N 2.95Å; F72-T75 PolarHBondContact O-N 2.93Å; F72-T75 PolarHBondContact O-OG1 3.21Å
73K70.2Confident60.5Low87 Ų8781 Ų8138%0.37843%0.43SS..THydrogen-bonded Turntrans-55.3130.9179.2-159.2169.6-175.41710110.5A3 E31 H32 G33A3-K73 WeakPolarHBondContact CB-O 3.09Å; E31-K73 WeakPolarHBondContact O-CD 3.38Å; H32-K73 PolarHBondContact O-N 3.03Å; G33-K73 WeakPolarHBondContact O-CB 3.39Å
74G59.4Low58.1Low43 Ų4389.7 Ų89.744%0.44347%0.47SS..THydrogen-bonded Turntrans92.6-6.2176.400000116.7F72 E76F72-G74 PolarHBondContact O-N 2.95Å; G74-E76 VanDerWaalsContact C-N 3.33Å
75T53.2Low56Low66 Ų6694.1 Ų94.141%0.40550%0.498SS..SBendtrans-79.9-17.8168.159.60000112.6F72 S77 I78F72-T75 PolarHBondContact O-N 2.93Å; F72-T75 PolarHBondContact O-OG1 3.21Å; T75-S77 VanDerWaalsContact C-N 3.28Å; T75-S77 PolarHBondContact O-N 2.77Å; T75-I78 PolarHBondContact O-N 2.78Å
76E46.4Very low53.8Low65 Ų65100.5 Ų100.530%0.30453%0.525SS..THydrogen-bonded Turntrans-71.8-12.3-176.6-66-162.485.300115S34 D35 S36 G74 I78 S79S34-E76 WeakPolarHBondContact CB-OE2 3.43Å; D35-E76 PolarHBondContact N-OE2 3.44Å; S36-E76 WeakPolarHBondContact CB-OE1 3.13Å; S36-E76 PolarHBondContact N-OE2 2.8Å; S36-E76 VanDerWaalsContact N-OE2 3.1Å; S36-E76 PolarHBondContact OG-OE1 3.22Å; S36-E76 PolarHBondContact OG-OE2 2.95Å; G74-E76 VanDerWaalsContact C-N 3.33Å; E76-I78 PolarHBondContact O-N 2.88Å; E76-S79 PolarHBondContact O-N 2.77Å
77S40.1Very low51.5Low99 Ų99107.4 Ų107.469%0.69256%0.562SS**THydrogen-bonded Turntrans-73.7-11175.1-630000113.7T75T75-S77 VanDerWaalsContact C-N 3.28Å; T75-S77 PolarHBondContact O-N 2.77Å
78I45.4Very low49.5Very low133 Ų133113.1 Ų113.168%0.68260%0.599SS**SBendtrans-87.8-23.2177.1-58.8171000111.2T75 E76 K80 V81T75-I78 PolarHBondContact O-N 2.78Å; E76-I78 PolarHBondContact O-N 2.88Å; I78-K80 PolarHBondContact O-N 3.2Å; I78-V81 PolarHBondContact O-N 3.24Å
79S35.3Very low47.5Very low84 Ų84115.2 Ų115.259%0.58761%0.606SS**THydrogen-bonded Turntrans-74.8-4.1-175.5-43.40000114.9E76E76-S79 PolarHBondContact O-N 2.77Å
80K32.5Very low46.1Very low198 Ų198119.6 Ų119.686%0.86163%0.627SS**THydrogen-bonded Turntrans-102.8-1.4172.7-91-177.9175.6179.60114.6I78I78-K80 PolarHBondContact O-N 3.2Å
81V35.8Very low43.9Very low100 Ų100120.6 Ų120.661%0.60664%0.638SS**SBendtrans-100.7-8.1179.2-177.50000112.4I78 E83I78-V81 PolarHBondContact O-N 3.24Å; V81-E83 VanDerWaalsContact C-N 3.26Å; V81-E83 PolarHBondContact O-N 2.82Å
82S37.8Very low42.3Very low99 Ų99125.7 Ų125.769%0.69267%0.666SS**THydrogen-bonded Turntrans-76.3-0.1-176.5560000115.7
83E41.2Very low39.9Very low178 Ų178132.7 Ų132.783%0.83270%0.703SS**THydrogen-bonded Turntrans-114.3-1.1-172.3-146.3144.39400115.9V81V81-E83 VanDerWaalsContact C-N 3.26Å; V81-E83 PolarHBondContact O-N 2.82Å
84Q35.5Very low38.1Very low183 Ų183136.9 Ų136.986%0.85572%0.722SS**SBendtrans-135.215.6-174.9-72.9-165.83.500118.4
85V36.9Very low36.9Very low129 Ų129140.5 Ų140.578%0.78274%0.737SS**  trans-115.259.7171.4-92.30000112
86K35.4Very low35.6Very low193 Ų193145.9 Ų145.984%0.83976%0.755SS**  trans-88124.9145.6-104.6175.6-179.7174.60106.3
87N34.9Very low35.3Very low144 Ų144150.9 Ų150.977%0.7778%0.778SS**  trans82103.1175.4-55.950.7000115.6
88V32.9Very low34.5Very low148 Ų148153 Ų15390%0.89779%0.787SS**  -175.6145.4113.5164.50000109.2
89K32.2Very low34.2Very low196 Ų196155.9 Ų155.985%0.85280%0.795SS**  trans-68.5156.2-168.9-72.4167.4172.5174.50114.6
90L39.3Very low33.8Very low144 Ų144157.6 Ų157.675%0.75481%0.807SS**  trans-10.9129.8150.3-146.276.6000115.5
91N26.5Very low34.5Very low162 Ų162157.4 Ų157.487%0.86681%0.809SS**  trans-163.2124.3133.5-87.3-25.2000109.7
92E38.7Very low34.1Very low183 Ų183161.5 Ų161.586%0.85582%0.822SS**  trans-65.7136.6162.1-79163.867.700109.4
93D28.3Very low34.1Very low153 Ų153162.6 Ų162.682%0.81883%0.825SS**  trans-155.7141.5134.4-158.6-101.6000109.9
94K33.3Very low33.6Very low175 Ų175162 Ų16276%0.76183%0.826SS**  trans-123.9136.5-173.9-176.9-167.4-167.6-1730106.6
95P32.4Very low33.6Very low118 Ų118160.6 Ų160.677%0.76682%0.824SS**  trans-134.8117.3136.6138.4000110
96K27.4Very low33.3Very low179 Ų179161.2 Ų161.278%0.77882%0.819SS**  80.5105.970.2-151.6177.9-170.7-176.90113.7
97E40Very low33.7Very low171 Ų171154.4 Ų154.480%0.79980%0.804SS**  trans2.1144.8159-77.4164.767.800121.3
98T22.4Very low34.6Very low144 Ų144152.1 Ų152.188%0.88380%0.797SS**  -154.7135.7129.8-66.30000111.6
99K40.2Very low36.2Very low192 Ų192148.9 Ų148.984%0.83578%0.778SS**  trans-61.7142.1171.4-77.4171.2168.9175.30112.7
100S26Very low38.4Very low121 Ų121142.9 Ų142.985%0.84675%0.753SS**  trans-176149135.5-73.50000109.9E102S100-E102 PolarHBondContact O-N 2.87Å
101E47.2Very low40.6Very low193 Ų193137.7 Ų137.790%0.90272%0.723SS**  trans-64.8105.3177.2-169.1154.179.900110.8
102E26.9Very low43.3Very low186 Ų186133.5 Ų133.587%0.86970%0.703SS**SBendtrans179.8149.1156.9-105.9171.185.100108S100 L104S100-E102 PolarHBondContact O-N 2.87Å; E102-L104 PolarHBondContact O-N 3.14Å
103T38.1Very low45.5Very low123 Ų123127.6 Ų127.676%0.75568%0.675SS**  trans-44.5128.8177.848.50000113.7
104L30.6Very low48.2Very low166 Ų166121.9 Ų121.987%0.86965%0.647SS**  trans164.9128.6144.7-90.4144.1000113.8E102E102-L104 PolarHBondContact O-N 3.14Å
105D35.5Very low50.5Low152 Ų152116.9 Ų116.981%0.81363%0.631SS**  trans65.671.2140.6-140.5-107.4000120.8
106E31.6Very low52.9Low142 Ų142115.9 Ų115.966%0.66462%0.618SS**  trans-112.9134.7143.1-84.7-170.494.900107.1R173E106-R173 VanDerWaalsContact CD-NH2 3.33Å; E106-R173 IonicContact OE1-CZ 3.86Å; E106-R173 IonicContact OE1-NH1 3.58Å; E106-R173 PolarHBondContact OE1-NH1 2.72Å; E106-R173 IonicContact OE1-NH2 3.99Å; E106-R173 PolarHBondContact OE1-NH2 3.47Å; E106-R173 IonicContact OE2-CZ 3.58Å; E106-R173 IonicContact OE2-NH1 2.7Å; E106-R173 IonicContact OE2-NH2 2.72Å; E106-R173 PolarHBondContact OE2-NH2 3.38Å
107G43Very low55.5Low51 Ų51113.2 Ų113.253%0.52661%0.607SS.*PPolyproline II helixtrans-50.3167.6-17600000114.3
108P54.3Low57.6Low96 Ų96112.2 Ų112.262%0.62360%0.6SS**SBendtrans-50141.8-168.921.2-33.2000111.6K110P108-K110 PolarHBondContact O-N 3.22Å; P108-K110 VanDerWaalsContact O-N 3.13Å
109P65.4Low60.6Low79 Ų79106.3 Ų106.351%0.51357%0.567SS.*PPolyproline II helixtrans-49.7125.1-177.816.4-28.9000109.5Y111 W196P109-Y111 HydrophobicContact CB-CD1 3.65Å; P109-Y111 HydrophobicContact CB-CE1 3.49Å; P109-Y111 VanDerWaalsContact CB-CE1 3.49Å; P109-Y111 PolarHBondContact O-N 3.43Å; P109-W196 HydrophobicContact CB-CH2 4.21Å; P109-W196 HydrophobicContact CB-CZ3 4.24Å
110K79.9Confident62.5Low71 Ų71101.7 Ų101.731%0.30955%0.552SS.*SBendtrans-81.433.8-178.6-53.6-169.5179.3-171.40111.4P108 E193 E195 W196P108-K110 PolarHBondContact O-N 3.22Å; P108-K110 VanDerWaalsContact O-N 3.13Å; K110-E193 HydrophobicContact CB-CB 4.09Å; K110-E193 HydrophobicContact CB-CG 4.4Å; K110-E193 VanDerWaalsContact O-CB 3.3Å; K110-E193 WeakPolarHBondContact O-CB 3.35Å; K110-E193 WeakPolarHBondContact O-CG 3.38Å; K110-E193 PolarHBondContact O-N 3.13Å; K110-E195 HydrophobicContact CD-CB 3.74Å; K110-E195 HydrophobicContact CD-CG 4.37Å; K110-E195 VanDerWaalsContact CD-OE2 3.28Å; K110-E195 WeakPolarHBondContact CD-OE2 3.34Å; K110-E195 WeakPolarHBondContact CE-OE2 3.22Å; K110-E195 IonicContact NZ-OE1 3.44Å; K110-E195 PolarHBondContact NZ-OE1 3.4Å; K110-E195 IonicContact NZ-OE2 3.25Å; K110-E195 PolarHBondContact NZ-OE2 2.77Å; K110-W196 HydrophobicContact CB-CB 4.3Å; K110-W196 HydrophobicContact CB-CD2 3.87Å; K110-W196 HydrophobicContact CB-CG 3.74Å; K110-W196 HydrophobicContact CG-CD2 4.4Å; K110-W196 HydrophobicContact CG-CG 4.39Å
111Y85Confident65.2Low35 Ų35101.9 Ų101.914%0.13754%0.537CS..EExtended strand (participates in β ladder)trans-144.7152174.277.6-81.2000110.1P109 K113 E177 A178 E191 W196P109-Y111 HydrophobicContact CB-CD1 3.65Å; P109-Y111 HydrophobicContact CB-CE1 3.49Å; P109-Y111 VanDerWaalsContact CB-CE1 3.49Å; P109-Y111 PolarHBondContact O-N 3.43Å; Y111-K113 HydrophobicContact CE2-CB 4.4Å; Y111-E177 HydrophobicContact CD1-CB 4.45Å; Y111-E177 HydrophobicContact CE1-CB 3.59Å; Y111-E177 HydrophobicContact CE1-CG 4.43Å; Y111-A178 HydrophobicContact CD2-CB 3.88Å; Y111-A178 HydrophobicContact CE2-CB 3.56Å; Y111-E191 CarbonylContact C-O 3.54Å; Y111-E191 WeakPolarHBondContact CA-O 3.48Å; Y111-W196 AromaticContact CD1-CE3 3.64Å; Y111-W196 HydrophobicContact CD1-CE3 3.64Å; Y111-W196 AromaticContact CD1-CZ3 3.44Å; Y111-W196 HydrophobicContact CD1-CZ3 3.44Å; Y111-W196 VanDerWaalsContact CD1-CZ3 3.44Å; Y111-W196 HydrophobicContact CE1-CE3 4.29Å; Y111-W196 AromaticContact CE1-CZ3 3.66Å; Y111-W196 HydrophobicContact CE1-CZ3 3.66Å
112T83.6Confident66.8Low73 Ų7397.7 Ų97.745%0.44853%0.525SS..EExtended strand (participates in β ladder)trans-120.1129.4174.3-520000108.9L190 E191T112-L190 CarbonylContact O-C 3.53Å; T112-L190 WeakPolarHBondContact O-CA 3.48Å; T112-E191 PolarHBondContact N-O 3.41Å; T112-E191 PolarHBondContact O-N 3.29Å
113K85.4Confident69.6Low60 Ų6092.9 Ų92.926%0.26151%0.505SS..EExtended strand (participates in β ladder)trans-106.1131171.6178.9177.486.9155.20110.3Y111 T181 M182 E186 A188 R189 L190Y111-K113 HydrophobicContact CE2-CB 4.4Å; K113-T181 WeakPolarHBondContact CD-OG1 3.22Å; K113-T181 WeakPolarHBondContact CE-OG1 3.35Å; K113-T181 PolarHBondContact NZ-O 3.18Å; K113-T181 PolarHBondContact NZ-OG1 3.01Å; K113-M182 HydrophobicContact CD-CG 4.17Å; K113-E186 IonicContact NZ-OE1 2.7Å; K113-E186 PolarHBondContact NZ-OE1 2.94Å; K113-A188 HydrophobicContact CD-CB 4.16Å; K113-A188 HydrophobicContact CG-CB 4Å; K113-R189 CarbonylContact C-O 3.54Å; K113-R189 WeakPolarHBondContact CA-O 3.49Å; K113-L190 HydrophobicContact CB-CD2 3.72Å; K113-L190 HydrophobicContact CD-CD2 4Å; K113-L190 HydrophobicContact CG-CD2 3.52Å
114S83.3Confident71.9Confident32 Ų3291.4 Ų91.422%0.22449%0.489CS..EExtended strand (participates in β ladder)trans-121.6116.7169.4-64.90000110L116 A188 R189S114-L116 PolarHBondContact O-N 3.42Å; S114-A188 CarbonylContact O-C 3.57Å; S114-A188 WeakPolarHBondContact O-CA 3.4Å; S114-R189 PolarHBondContact N-O 3.33Å; S114-R189 PolarHBondContact O-N 3.25Å
115V82.8Confident74.7Confident70 Ų7083.8 Ų83.842%0.42445%0.449SS..EExtended strand (participates in β ladder)trans-75.2115.7179.2-176.40000109.6K117 K118 E186V115-K117 WeakPolarHBondContact CG1-O 3.5Å; V115-K118 HydrophobicContact CG1-CG 4.23Å; V115-E186 HydrophobicContact CG1-CG 3.83Å; V115-E186 WeakPolarHBondContact CG2-OE1 3.31Å
116L82.2Confident77Confident97 Ų9783.8 Ų83.851%0.50844%0.442SS..EExtended strand (participates in β ladder)trans-84.2-43177.2-71.7155.1000111.1S114 K187 R189 E217S114-L116 PolarHBondContact O-N 3.42Å; L116-K187 WeakPolarHBondContact CA-O 3.42Å; L116-K187 HydrophobicContact CB-CB 4.45Å; L116-K187 HydrophobicContact CB-CG 4.36Å; L116-K187 WeakPolarHBondContact CB-O 3.19Å; L116-K187 HydrophobicContact CD1-CD 4.39Å; L116-K187 HydrophobicContact CD1-CG 4.17Å; L116-K187 PolarHBondContact N-O 2.72Å; L116-R189 HydrophobicContact CD1-CB 3.85Å; L116-R189 HydrophobicContact CG-CB 4.26Å; L116-E217 HydrophobicContact CD1-CG 4.22Å; L116-E217 WeakPolarHBondContact CD1-OE1 3.22Å
117K81.4Confident79.6Confident124 Ų12484.9 Ų84.954%0.53944%0.444SS..EExtended strand (participates in β ladder)trans-134.2123.2177.4-172.1-175.2176.4-169.60108V115 G119 E186 K187V115-K117 WeakPolarHBondContact CG1-O 3.5Å; K117-G119 PolarHBondContact O-N 3.41Å; K117-E186 WeakPolarHBondContact O-CA 3.18Å; K117-E186 WeakPolarHBondContact O-CG 3.44Å; K117-K187 HydrophobicContact CB-CB 3.7Å; K117-K187 PolarHBondContact N-O 3.31Å; K117-K187 PolarHBondContact O-N 2.8Å
118K84.5Confident81.5Confident150 Ų15083.8 Ų83.865%0.65243%0.433SS*.  trans-66.4133.4176-67.1171179170.50108.9V115V115-K118 HydrophobicContact CG1-CG 4.23Å
119G84.6Confident82.9Confident19 Ų1981.6 Ų81.620%0.19642%0.416CS..  trans-83-157.9168.700000111.3K117 K121 S183 K184K117-G119 PolarHBondContact O-N 3.41Å; G119-K121 PolarHBondContact O-N 2.85Å; G119-S183 WeakPolarHBondContact CA-OG 3.17Å; G119-K184 CarbonylContact C-O 3.53Å; G119-K184 VanDerWaalsContact CA-O 3.31Å; G119-K184 WeakPolarHBondContact CA-O 3.22Å
120D81Confident84Confident95 Ų9579.7 Ų79.751%0.50840%0.403SS..  trans-69.9-19-178.9-166.7-99.3000113.2T122 K184D120-T122 PolarHBondContact O-N 3.26Å; D120-T122 PolarHBondContact O-OG1 3.21Å; D120-T122 WeakPolarHBondContact OD1-CB 3.35Å; D120-T122 PolarHBondContact OD1-OG1 3.36Å; D120-K184 PolarHBondContact N-O 2.87Å
121K81.8Confident84.4Confident125 Ų12576.3 Ų76.354%0.54339%0.388SS..SBendtrans54.710.5-175.8-54.9-175178-1780115.8G119 F124 S183G119-K121 PolarHBondContact O-N 2.85Å; K121-F124 WeakPolarHBondContact O-CE2 3.39Å; K121-F124 WeakPolarHBondContact O-CZ 3.48Å; K121-S183 VanDerWaalsContact N-CB 3.26Å; K121-S183 PolarHBondContact N-OG 2.92Å
122T82.3Confident84.6Confident105 Ų10577 Ų7764%0.64439%0.393SS*.SBendtrans-108-47.1176.8-40.70000110.7D120D120-T122 PolarHBondContact O-N 3.26Å; D120-T122 PolarHBondContact O-OG1 3.21Å; D120-T122 WeakPolarHBondContact OD1-CB 3.35Å; D120-T122 PolarHBondContact OD1-OG1 3.36Å
123N85.1Confident84.7Confident85 Ų8573.5 Ų73.546%0.45537%0.371SS..  trans-93.1105.8-179.5-57.599.4000110.7S183 K184 I223N123-S183 CarbonylContact O-C 3.47Å; N123-S183 VanDerWaalsContact O-CA 3.24Å; N123-S183 WeakPolarHBondContact O-CA 3.08Å; N123-K184 HydrophobicContact CB-CB 3.89Å; N123-K184 PolarHBondContact O-N 3.45Å; N123-I223 HydrophobicContact CB-CD1 4.29Å
124F87.4Confident84.8Confident93 Ų9373 Ų7341%0.40837%0.368SS..  trans-108.8139.6171.2-60.6-89.4000109.3K121 M182K121-F124 WeakPolarHBondContact O-CE2 3.39Å; K121-F124 WeakPolarHBondContact O-CZ 3.48Å; F124-M182 WeakPolarHBondContact CD1-O 3.38Å
125P87.7Confident85Confident5 Ų572.9 Ų72.93%0.03236%0.363CS..PPolyproline II helixtrans-73.4141.2-17932.2-34.1000109.8V131 V166 L179 L180 M182 L220 I223P125-V131 HydrophobicContact CB-CG1 3.4Å; P125-V131 HydrophobicContact CG-CG1 4Å; P125-V166 HydrophobicContact CB-CG2 3.95Å; P125-L179 WeakPolarHBondContact CG-O 3.35Å; P125-L180 WeakPolarHBondContact O-CD2 3.47Å; P125-M182 WeakPolarHBondContact CD-O 3.42Å; P125-L220 HydrophobicContact CG-CD2 4.46Å; P125-I223 HydrophobicContact CB-CD1 4.02Å; P125-I223 HydrophobicContact CB-CG1 4.23Å; P125-I223 HydrophobicContact CB-CG2 3.9Å; P125-I223 HydrophobicContact CG-CD1 4.38Å
126K85.6Confident85.1Confident153 Ų15370.8 Ų70.867%0.66535%0.35SS*.PPolyproline II helixtrans-103.7161177.4-55.4176.2-179.3173.20110.1G128 D129 V166K126-G128 PolarHBondContact O-N 3.26Å; K126-G128 VanDerWaalsContact O-N 3.09Å; K126-D129 WeakPolarHBondContact CA-OD2 3.33Å; K126-D129 WeakPolarHBondContact CB-OD2 3.29Å; K126-D129 PolarHBondContact N-OD2 3.34Å; K126-D129 WeakPolarHBondContact O-CB 3.39Å; K126-D129 PolarHBondContact O-N 3.38Å; K126-V166 WeakPolarHBondContact O-CG2 3.48Å
127K84.4Confident85.4Confident164 Ų16466.2 Ų66.271%0.71333%0.326SS*.THydrogen-bonded Turntrans-54.6118175.3176.9166.1178.1173.90110.5G167K127-G167 WeakPolarHBondContact CD-O 3.26Å; K127-G167 WeakPolarHBondContact CE-O 3.02Å; K127-G167 WeakPolarHBondContact CG-O 3.03Å
128G83.6Confident85.5Confident29 Ų2961.8 Ų61.830%0.29931%0.309SS..THydrogen-bonded Turntrans102.6-17.8-178.500000115K126 V166K126-G128 PolarHBondContact O-N 3.26Å; K126-G128 VanDerWaalsContact O-N 3.09Å; G128-V166 PolarHBondContact N-O 2.91Å
129D84.4Confident85.5Confident50 Ų5055.6 Ų55.627%0.26728%0.284SS..PPolyproline II helixtrans-68.4148.8178.1-70.9-27.9000111K126 K165 V166 I223K126-D129 WeakPolarHBondContact CA-OD2 3.33Å; K126-D129 WeakPolarHBondContact CB-OD2 3.29Å; K126-D129 PolarHBondContact N-OD2 3.34Å; K126-D129 WeakPolarHBondContact O-CB 3.39Å; K126-D129 PolarHBondContact O-N 3.38Å; D129-K165 VanDerWaalsContact O-CA 3.25Å; D129-K165 WeakPolarHBondContact O-CA 3.42Å; D129-V166 PolarHBondContact O-N 2.69Å; D129-V166 VanDerWaalsContact O-N 3.08Å; D129-I223 HydrophobicContact CB-CG2 4.06Å
130V87.8Confident85.3Confident38 Ų3861.2 Ų61.223%0.2331%0.305CS..EExtended strand (participates in β ladder)trans-88.9117.4175.5-179.10000108.2F164 K165 I223 D224V130-F164 WeakPolarHBondContact CA-O 3.03Å; V130-K165 HydrophobicContact CG2-CG 3.77Å; V130-I223 WeakPolarHBondContact O-CA 3.33Å; V130-D224 HydrophobicContact CB-CB 3.96Å; V130-D224 PolarHBondContact O-N 3.06Å
131V89Confident85.1Confident0 Ų063.4 Ų63.40%032%0.316CS..EExtended strand (participates in β ladder)trans-100.2145.8174.9-59.50000110.8P125 S163 F164 V166 L220 I223P125-V131 HydrophobicContact CB-CG1 3.4Å; P125-V131 HydrophobicContact CG-CG1 4Å; V131-S163 VanDerWaalsContact O-CA 3.23Å; V131-S163 WeakPolarHBondContact O-CA 3.49Å; V131-F164 HydrophobicContact CG2-CD1 4.15Å; V131-F164 HydrophobicContact CG2-CD2 4.34Å; V131-F164 HydrophobicContact CG2-CE1 3.79Å; V131-F164 HydrophobicContact CG2-CE2 3.99Å; V131-F164 HydrophobicContact CG2-CG 4.43Å; V131-F164 HydrophobicContact CG2-CZ 3.72Å; V131-F164 PolarHBondContact N-O 3.05Å; V131-F164 PolarHBondContact O-N 2.91Å; V131-F164 VanDerWaalsContact O-N 3.16Å; V131-V166 HydrophobicContact CB-CG1 4.14Å; V131-V166 HydrophobicContact CG1-CG1 3.58Å; V131-V166 HydrophobicContact CG1-CG2 4.14Å; V131-V166 HydrophobicContact CG2-CG1 3.44Å; V131-V166 VanDerWaalsContact CG2-CG1 3.44Å; V131-L220 HydrophobicContact CB-CD1 3.9Å; V131-L220 HydrophobicContact CG1-CD1 4.21Å; V131-L220 HydrophobicContact CG2-CD1 4.49Å; V131-I223 HydrophobicContact CG1-CG1 4.45Å; V131-I223 HydrophobicContact CG1-CG2 4.41Å
132H88.1Confident84.9Confident50 Ų5059.8 Ų59.823%0.23132%0.315CS..EExtended strand (participates in β ladder)trans-113.4116.2173.2-64-87.9000108.9P161 L162 S163 V221 D222H132-P161 HydrophobicContact CB-CB 4.14Å; H132-P161 HydrophobicContact CB-CG 3.96Å; H132-L162 WeakPolarHBondContact CA-O 3.41Å; H132-S163 VanDerWaalsContact CE1-CB 3.46Å; H132-S163 WeakPolarHBondContact CE1-CB 3.17Å; H132-S163 WeakPolarHBondContact ND1-CB 3.3Å; H132-V221 WeakPolarHBondContact O-CA 3.18Å; H132-V221 WeakPolarHBondContact O-CB 3.42Å; H132-V221 PolarHBondContact O-N 3.23Å; H132-D222 HydrophobicContact CB-CB 4.07Å; H132-D222 PolarHBondContact N-O 3.3Å; H132-D222 PolarHBondContact O-N 3.03Å
133C86.8Confident84.7Confident0 Ų058.2 Ų58.20%031%0.305CS..EExtended strand (participates in β ladder)trans-139.8151.5-178.965.70000114.5N148 L162 V218 E219 L220C133-N148 PolarHBondContact O-ND2 3.23Å; C133-L162 PolarHBondContact N-O 2.94Å; C133-L162 PolarHBondContact O-N 3.49Å; C133-V218 HydrophobicContact CB-CG1 3.81Å; C133-E219 CarbonylContact C-O 3.55Å; C133-E219 WeakPolarHBondContact CA-O 3.45Å; C133-E219 WeakPolarHBondContact CB-O 3.48Å; C133-L220 HydrophobicContact CB-CD1 4.29Å
134W87.6Confident84.6Confident50 Ų5057.9 Ų57.919%0.18931%0.306CS..EExtended strand (participates in β ladder)trans-92.6144.6164.5-63.3113.2000109.9N148 I149 A159 K160 P161 V218 E219 V221W134-N148 VanDerWaalsContact CA-OD1 3.26Å; W134-N148 WeakPolarHBondContact CA-OD1 3.15Å; W134-N148 VanDerWaalsContact CE3-OD1 3.24Å; W134-N148 WeakPolarHBondContact CZ3-O 3.3Å; W134-I149 HydrophobicContact CB-CD1 4.28Å; W134-I149 HydrophobicContact CB-CG1 4.04Å; W134-I149 HydrophobicContact CE3-CG1 4.48Å; W134-A159 HydrophobicContact CH2-CB 3.63Å; W134-A159 HydrophobicContact CZ3-CB 4.22Å; W134-K160 WeakPolarHBondContact CH2-O 3.43Å; W134-K160 WeakPolarHBondContact CZ3-O 3.46Å; W134-P161 HydrophobicContact CD2-CB 4.35Å; W134-P161 HydrophobicContact CH2-CB 4.39Å; W134-P161 VanDerWaalsContact CH2-N 3.31Å; W134-P161 HydrophobicContact CZ2-CB 4.02Å; W134-P161 HydrophobicContact CZ2-CG 4.4Å; W134-V218 CarbonylContact O-C 3.51Å; W134-V218 VanDerWaalsContact O-CA 3.28Å; W134-V218 WeakPolarHBondContact O-CA 3.41Å; W134-E219 HydrophobicContact CB-CB 4.3Å; W134-E219 PolarHBondContact N-O 3.38Å; W134-E219 PolarHBondContact O-N 2.99Å; W134-V221 HydrophobicContact CG-CG2 4.24Å
135Y86.7Confident84.3Confident29 Ų2955 Ų5511%0.11429%0.293CS..EExtended strand (participates in β ladder)trans-150.6155.8174.173.7-83.4000114.3D146 T147 N148 L162 W175 F216 E217Y135-D146 HydrophobicContact CE2-CB 4.33Å; Y135-D146 WeakPolarHBondContact CE2-OD1 3.43Å; Y135-D146 PolarHBondContact OH-OD1 2.92Å; Y135-T147 WeakPolarHBondContact O-CA 3.47Å; Y135-T147 PolarHBondContact O-OG1 2.81Å; Y135-N148 HydrophobicContact CD1-CB 4.08Å; Y135-N148 VanDerWaalsContact CD1-CG 3.48Å; Y135-N148 WeakPolarHBondContact CD1-ND2 3.35Å; Y135-N148 HydrophobicContact CE1-CB 3.66Å; Y135-N148 WeakPolarHBondContact CE1-ND2 3.44Å; Y135-N148 PolarHBondContact N-OD1 2.94Å; Y135-N148 PolarHBondContact O-N 3.34Å; Y135-N148 PolarHBondContact O-OD1 3.46Å; Y135-L162 HydrophobicContact CD1-CB 4.48Å; Y135-L162 HydrophobicContact CD1-CD2 4.2Å; Y135-L162 HydrophobicContact CE1-CB 4.12Å; Y135-L162 HydrophobicContact CE1-CD2 3.6Å; Y135-L162 HydrophobicContact CE1-CG 4.41Å; Y135-W175 AromaticContact CD1-CH2 3.67Å; Y135-W175 HydrophobicContact CD1-CH2 3.67Å; Y135-W175 HydrophobicContact CD1-CZ2 4.49Å; Y135-W175 AromaticContact CD2-CH2 3.93Å; Y135-W175 HydrophobicContact CD2-CH2 3.93Å; Y135-W175 AromaticContact CD2-CZ2 3.94Å; Y135-W175 HydrophobicContact CD2-CZ2 3.94Å; Y135-W175 HydrophobicContact CE1-CH2 4.38Å; Y135-W175 AromaticContact CG-CH2 3.42Å; Y135-W175 HydrophobicContact CG-CH2 3.42Å; Y135-W175 VanDerWaalsContact CG-CH2 3.42Å; Y135-W175 AromaticContact CG-CZ2 3.83Å; Y135-W175 HydrophobicContact CG-CZ2 3.83Å; Y135-F216 HydrophobicContact CD2-CD1 4.14Å; Y135-F216 HydrophobicContact CD2-CE1 4.41Å; Y135-E217 CarbonylContact C-O 3.49Å; Y135-E217 WeakPolarHBondContact CA-O 3.21Å; Y135-E217 WeakPolarHBondContact CB-O 3.31Å
136T86Confident83.9Confident26 Ų2658.1 Ų58.116%0.1631%0.31CS..EExtended strand (participates in β ladder)trans-134.7118.9169.3-62.30000108.7T138 V144 T147 I149 F216 E217T136-T138 HydrophobicContact CG2-CG2 4.26Å; T136-V144 HydrophobicContact CG2-CG1 4.07Å; T136-V144 HydrophobicContact CG2-CG2 4.42Å; T136-T147 PolarHBondContact OG1-OG1 3.15Å; T136-I149 WeakPolarHBondContact OG1-CD1 3.15Å; T136-F216 CarbonylContact O-C 3.43Å; T136-F216 VanDerWaalsContact O-CA 3.29Å; T136-F216 WeakPolarHBondContact O-CA 3.45Å; T136-E217 PolarHBondContact N-O 2.88Å; T136-E217 PolarHBondContact O-N 3.02Å
137G87.4Confident83.8Confident0 Ų053.9 Ų53.90%030%0.296CS..EExtended strand (participates in β ladder)trans-96.3123.1174.600000111.7V144 F145 D146 I215 F216G137-V144 WeakPolarHBondContact O-CA 3.17Å; G137-F145 WeakPolarHBondContact O-CD1 3.42Å; G137-F145 PolarHBondContact O-N 3.38Å; G137-D146 WeakPolarHBondContact CA-O 2.97Å; G137-D146 PolarHBondContact N-O 3.34Å; G137-D146 PolarHBondContact O-N 2.92Å; G137-I215 CarbonylContact C-O 3.49Å; G137-I215 WeakPolarHBondContact CA-O 3.17Å; G137-F216 VanDerWaalsContact CA-CD1 3.44Å
138T84.1Confident83.6Confident31 Ų3147.2 Ų47.219%0.1927%0.269CS..EExtended strand (participates in β ladder)trans-122.4147.5175.556.30000111.5T136 T143 V144 F145 I215T136-T138 HydrophobicContact CG2-CG2 4.26Å; T138-T143 CarbonylContact C-O 3.6Å; T138-T143 VanDerWaalsContact CA-O 3.3Å; T138-T143 WeakPolarHBondContact CA-O 3.45Å; T138-V144 HydrophobicContact CG2-CB 4.35Å; T138-V144 HydrophobicContact CG2-CG2 3.73Å; T138-F145 WeakPolarHBondContact O-CE1 3.28Å; T138-I215 PolarHBondContact N-O 2.78Å; T138-I215 WeakPolarHBondContact O-CB 3.4Å; T138-I215 PolarHBondContact O-N 3.46Å; T138-I215 PolarHBondContact OG1-O 3.37Å
139L84.1Confident83.3Confident21 Ų2149.5 Ų49.511%0.1127%0.273CS..EExtended strand (participates in β ladder)trans-77.7169.9169.1-61.2-179.6000110.1D141 G142 T143 F145 I208 A212 L214L139-D141 PolarHBondContact O-N 3.49Å; L139-D141 VanDerWaalsContact O-N 3.14Å; L139-G142 PolarHBondContact O-N 3.04Å; L139-T143 HydrophobicContact CD1-CG2 4.34Å; L139-T143 PolarHBondContact N-O 3.45Å; L139-F145 HydrophobicContact CD2-CD1 3.72Å; L139-F145 HydrophobicContact CD2-CE1 4.18Å; L139-F145 HydrophobicContact CD2-CG 4.47Å; L139-F145 HydrophobicContact CG-CD1 3.91Å; L139-I208 HydrophobicContact CD2-CG1 4.33Å; L139-I208 HydrophobicContact CD2-CG2 4.25Å; L139-A212 HydrophobicContact CD2-CB 4.31Å; L139-L214 HydrophobicContact CD2-CD2 3.77Å
140Q79.9Confident82.5Confident137 Ų13750.9 Ų50.964%0.6428%0.278SS*.THydrogen-bonded Turntrans-58.3-26.4176.5-65.9-179.3-89.400113.8G142 K213Q140-G142 PolarHBondContact O-N 3.24Å; Q140-K213 HydrophobicContact CG-CB 3.8Å; Q140-K213 HydrophobicContact CG-CD 4.5Å
141D77.3Confident81.3Confident141 Ų14155.5 Ų55.575%0.75431%0.307SS*.THydrogen-bonded Turntrans-77.9-5.9175.6-175.6-109.2000113.1L139 T143L139-D141 PolarHBondContact O-N 3.49Å; L139-D141 VanDerWaalsContact O-N 3.14Å; D141-T143 VanDerWaalsContact C-N 3.27Å; D141-T143 PolarHBondContact OD1-OG1 3.03Å
142G77.5Confident79.8Confident49 Ų4958.5 Ų58.551%0.50533%0.327SS..SBendtrans87.6-8.6-176.300000113.9L139 Q140 V144L139-G142 PolarHBondContact O-N 3.04Å; Q140-G142 PolarHBondContact O-N 3.24Å; G142-V144 PolarHBondContact O-N 3.13Å
143T78.6Confident78.2Confident71 Ų7160.5 Ų60.544%0.43635%0.353SS..  trans-56.8118.9172.9-69.40000110.8T138 L139 D141 F145T138-T143 CarbonylContact C-O 3.6Å; T138-T143 VanDerWaalsContact CA-O 3.3Å; T138-T143 WeakPolarHBondContact CA-O 3.45Å; L139-T143 HydrophobicContact CD1-CG2 4.34Å; L139-T143 PolarHBondContact N-O 3.45Å; D141-T143 VanDerWaalsContact C-N 3.27Å; D141-T143 PolarHBondContact OD1-OG1 3.03Å; T143-F145 PolarHBondContact O-N 2.87Å
144V83.4Confident76.4Confident79 Ų7970.1 Ų70.148%0.47940%0.395SS..EExtended strand (participates in β ladder)trans-74.7116.5174.4-177.60000108.5T136 G137 T138 G142 T147T136-V144 HydrophobicContact CG2-CG1 4.07Å; T136-V144 HydrophobicContact CG2-CG2 4.42Å; G137-V144 WeakPolarHBondContact O-CA 3.17Å; T138-V144 HydrophobicContact CG2-CB 4.35Å; T138-V144 HydrophobicContact CG2-CG2 3.73Å; G142-V144 PolarHBondContact O-N 3.13Å; V144-T147 HydrophobicContact CG1-CG2 4.2Å
145F81.2Confident74.8Confident32 Ų3273.8 Ų73.814%0.1441%0.412CS..EExtended strand (participates in β ladder)trans-96.4-28.1177.164.3-94.9000112.2G137 T138 L139 T143 I208 L214 F216G137-F145 WeakPolarHBondContact O-CD1 3.42Å; G137-F145 PolarHBondContact O-N 3.38Å; T138-F145 WeakPolarHBondContact O-CE1 3.28Å; L139-F145 HydrophobicContact CD2-CD1 3.72Å; L139-F145 HydrophobicContact CD2-CE1 4.18Å; L139-F145 HydrophobicContact CD2-CG 4.47Å; L139-F145 HydrophobicContact CG-CD1 3.91Å; T143-F145 PolarHBondContact O-N 2.87Å; F145-I208 HydrophobicContact CB-CG1 4.23Å; F145-I208 HydrophobicContact CD2-CD1 3.6Å; F145-I208 HydrophobicContact CD2-CG1 4.09Å; F145-I208 HydrophobicContact CE2-CD1 3.79Å; F145-I208 HydrophobicContact CG-CD1 4.06Å; F145-I208 HydrophobicContact CG-CG1 4.06Å; F145-I208 HydrophobicContact CZ-CD1 4.36Å; F145-L214 HydrophobicContact CD1-CD2 4.46Å; F145-L214 HydrophobicContact CE1-CB 4.37Å; F145-L214 HydrophobicContact CE1-CD2 3.77Å; F145-L214 HydrophobicContact CE1-CG 4.5Å; F145-L214 HydrophobicContact CZ-CB 4.26Å; F145-L214 HydrophobicContact CZ-CD1 4.08Å; F145-L214 HydrophobicContact CZ-CD2 3.92Å; F145-L214 HydrophobicContact CZ-CG 4.32Å; F145-F216 AromaticContact CE2-CE1 3.83Å; F145-F216 HydrophobicContact CE2-CE1 3.83Å; F145-F216 AromaticContact CE2-CZ 3.87Å; F145-F216 HydrophobicContact CE2-CZ 3.87Å; F145-F216 HydrophobicContact CZ-CD1 4.3Å; F145-F216 AromaticContact CZ-CE1 3.48Å; F145-F216 HydrophobicContact CZ-CE1 3.48Å; F145-F216 VanDerWaalsContact CZ-CE1 3.48Å; F145-F216 HydrophobicContact CZ-CE2 4.11Å; F145-F216 AromaticContact CZ-CZ 3.39Å; F145-F216 HydrophobicContact CZ-CZ 3.39Å
146D79.4Confident73.2Confident71 Ų7179.9 Ų79.938%0.3844%0.439SS..EExtended strand (participates in β ladder)trans-152.8142.4179.8-159.8-126.7000111Y135 G137Y135-D146 HydrophobicContact CE2-CB 4.33Å; Y135-D146 WeakPolarHBondContact CE2-OD1 3.43Å; Y135-D146 PolarHBondContact OH-OD1 2.92Å; G137-D146 WeakPolarHBondContact CA-O 2.97Å; G137-D146 PolarHBondContact N-O 3.34Å; G137-D146 PolarHBondContact O-N 2.92Å
147T83.2Confident71.7Confident63 Ų6387.8 Ų87.839%0.38747%0.471SS..EExtended strand (participates in β ladder)trans-157.4135.7174.8-177.30000110.3Y135 T136 V144 I149Y135-T147 WeakPolarHBondContact O-CA 3.47Å; Y135-T147 PolarHBondContact O-OG1 2.81Å; T136-T147 PolarHBondContact OG1-OG1 3.15Å; V144-T147 HydrophobicContact CG1-CG2 4.2Å; T147-I149 PolarHBondContact OG1-N 3.26Å
148N80.5Confident70.5Confident24 Ų2494.5 Ų94.513%0.12851%0.507CS..  trans-97.4-1.3170.179.8-6.1000112.4C133 W134 Y135 Q150 L162C133-N148 PolarHBondContact O-ND2 3.23Å; W134-N148 VanDerWaalsContact CA-OD1 3.26Å; W134-N148 WeakPolarHBondContact CA-OD1 3.15Å; W134-N148 VanDerWaalsContact CE3-OD1 3.24Å; W134-N148 WeakPolarHBondContact CZ3-O 3.3Å; Y135-N148 HydrophobicContact CD1-CB 4.08Å; Y135-N148 VanDerWaalsContact CD1-CG 3.48Å; Y135-N148 WeakPolarHBondContact CD1-ND2 3.35Å; Y135-N148 HydrophobicContact CE1-CB 3.66Å; Y135-N148 WeakPolarHBondContact CE1-ND2 3.44Å; Y135-N148 PolarHBondContact N-OD1 2.94Å; Y135-N148 PolarHBondContact O-N 3.34Å; Y135-N148 PolarHBondContact O-OD1 3.46Å; N148-Q150 PolarHBondContact O-N 3.41Å; N148-L162 VanDerWaalsContact ND2-CB 3.32Å; N148-L162 WeakPolarHBondContact ND2-CB 3.39Å; N148-L162 PolarHBondContact ND2-N 2.82Å
149I76.3Confident69.7Low77 Ų7794 Ų9440%0.39551%0.506SS..  trans-79.9103.9-179.6-54.4-175.5000108.9W134 T136 T147 T151W134-I149 HydrophobicContact CB-CD1 4.28Å; W134-I149 HydrophobicContact CB-CG1 4.04Å; W134-I149 HydrophobicContact CE3-CG1 4.48Å; T136-I149 WeakPolarHBondContact OG1-CD1 3.15Å; T147-I149 PolarHBondContact OG1-N 3.26Å; I149-T151 PolarHBondContact O-N 3.13Å
150Q68.4Low69.4Low79 Ų79101.4 Ų101.437%0.36954%0.537SS..  trans-73117.1176.4-95.7139.9-39.200111.9N148 K155 A159N148-Q150 PolarHBondContact O-N 3.41Å; Q150-K155 HydrophobicContact CB-CB 4.4Å; Q150-K155 HydrophobicContact CG-CB 4.19Å; Q150-A159 HydrophobicContact CB-CB 4.12Å
151T61.3Low69.5Low136 Ų13696.5 Ų96.583%0.83452%0.518SS*.  trans-81.8-16.9-178.9530000113.9I149I149-T151 PolarHBondContact O-N 3.13Å
152S57.8Low69.8Low62 Ų6292.9 Ų92.943%0.43450%0.498SS..  trans-86.3121.9-177.6-39.90000111.9K154 K155 K156S152-K154 PolarHBondContact O-N 3.32Å; S152-K154 VanDerWaalsContact O-N 3.08Å; S152-K155 PolarHBondContact O-N 3.34Å; S152-K156 PolarHBondContact O-N 3.26Å
153A54.5Low70.2Confident93 Ų9393.9 Ų93.977%0.76950%0.497SS*.Hα-helixtrans-52.8-32.8-18000000114.4
154K49.9Very low70.5Confident202 Ų20291.6 Ų91.688%0.87848%0.481SS*.Hα-helixtrans-71.9-31.1174-89.5-172.3177.7178.60114.1S152S152-K154 PolarHBondContact O-N 3.32Å; S152-K154 VanDerWaalsContact O-N 3.08Å
155K52.6Low70.6Confident127 Ų12793 Ų9355%0.55248%0.48SS*.Hα-helixtrans-89.9-19.5179.5-78.2-174.6178.4178.20113Q150 S152 K157 N158 A159Q150-K155 HydrophobicContact CB-CB 4.4Å; Q150-K155 HydrophobicContact CG-CB 4.19Å; S152-K155 PolarHBondContact O-N 3.34Å; K155-K157 PolarHBondContact O-N 3Å; K155-N158 CarbonylContact O-C 3.53Å; K155-N158 PolarHBondContact O-N 3.18Å; K155-A159 PolarHBondContact O-N 2.54Å
156K53.8Low70.7Confident156 Ų15691.4 Ų91.468%0.67847%0.474SS*.Hα-helixtrans-58.8-30.4177.5-156.9176.6-173.6-179.90113.1S152 N158 A159S152-K156 PolarHBondContact O-N 3.26Å; K156-N158 VanDerWaalsContact C-N 3.29Å; K156-N158 PolarHBondContact O-N 3.43Å; K156-A159 PolarHBondContact O-N 3.2Å
157K55.2Low70.5Confident192 Ų19288.5 Ų88.584%0.83546%0.46SS*.THydrogen-bonded Turntrans-66.7-25.7175-75-167.1176.3-173.30114.2K155K155-K157 PolarHBondContact O-N 3Å
158N60.8Low70.3Confident141 Ų14188.8 Ų88.875%0.75446%0.462SS*.THydrogen-bonded Turntrans-111.36.5177.8-78.15.7000112.6K155 K156 K160K155-N158 CarbonylContact O-C 3.53Å; K155-N158 PolarHBondContact O-N 3.18Å; K156-N158 VanDerWaalsContact C-N 3.29Å; K156-N158 PolarHBondContact O-N 3.43Å; N158-K160 PolarHBondContact O-N 3.1Å
159A67.6Low70.1Confident20 Ų2090.6 Ų90.617%0.16549%0.486CS..  trans-69.3121.6178.200000107.9W134 Q150 K155 K156W134-A159 HydrophobicContact CH2-CB 3.63Å; W134-A159 HydrophobicContact CZ3-CB 4.22Å; Q150-A159 HydrophobicContact CB-CB 4.12Å; K155-A159 PolarHBondContact O-N 2.54Å; K156-A159 PolarHBondContact O-N 3.2Å
160K77.7Confident70Confident177 Ų17794.5 Ų94.577%0.7750%0.5SS*.  trans-106.9133.3174.4-67.3-175178.4-176.20108.9W134 N158W134-K160 WeakPolarHBondContact CH2-O 3.43Å; W134-K160 WeakPolarHBondContact CZ3-O 3.46Å; N158-K160 PolarHBondContact O-N 3.1Å
161P82Confident70.6Confident35 Ų3592.4 Ų92.423%0.22749%0.493CS..  trans-60.1149.2173.225.4-32.4000109.5H132 W134 S163 V221H132-P161 HydrophobicContact CB-CB 4.14Å; H132-P161 HydrophobicContact CB-CG 3.96Å; W134-P161 HydrophobicContact CD2-CB 4.35Å; W134-P161 HydrophobicContact CH2-CB 4.39Å; W134-P161 VanDerWaalsContact CH2-N 3.31Å; W134-P161 HydrophobicContact CZ2-CB 4.02Å; W134-P161 HydrophobicContact CZ2-CG 4.4Å; P161-S163 PolarHBondContact O-N 3.35Å; P161-V221 HydrophobicContact CB-CG2 4.36Å
162L84.8Confident71.6Confident65 Ų6587.3 Ų87.334%0.3446%0.46SS..EExtended strand (participates in β ladder)trans-65.3127.7174.8177.772.2000108H132 C133 Y135 N148 F164H132-L162 WeakPolarHBondContact CA-O 3.41Å; C133-L162 PolarHBondContact N-O 2.94Å; C133-L162 PolarHBondContact O-N 3.49Å; Y135-L162 HydrophobicContact CD1-CB 4.48Å; Y135-L162 HydrophobicContact CD1-CD2 4.2Å; Y135-L162 HydrophobicContact CE1-CB 4.12Å; Y135-L162 HydrophobicContact CE1-CD2 3.6Å; Y135-L162 HydrophobicContact CE1-CG 4.41Å; N148-L162 VanDerWaalsContact ND2-CB 3.32Å; N148-L162 WeakPolarHBondContact ND2-CB 3.39Å; N148-L162 PolarHBondContact ND2-N 2.82Å; L162-F164 HydrophobicContact CD2-CD1 3.83Å; L162-F164 HydrophobicContact CD2-CE1 3.93Å; L162-F164 HydrophobicContact CG-CD1 3.94Å; L162-F164 HydrophobicContact CG-CE1 4.38Å
163S85.9Confident72.7Confident69 Ų6989.2 Ų89.248%0.48346%0.458SS..EExtended strand (participates in β ladder)trans-113.1122.7177.963.20000111.5V131 H132 P161V131-S163 VanDerWaalsContact O-CA 3.23Å; V131-S163 WeakPolarHBondContact O-CA 3.49Å; H132-S163 VanDerWaalsContact CE1-CB 3.46Å; H132-S163 WeakPolarHBondContact CE1-CB 3.17Å; H132-S163 WeakPolarHBondContact ND1-CB 3.3Å; P161-S163 PolarHBondContact O-N 3.35Å
164F84.9Confident74.1Confident23 Ų2384.8 Ų84.810%0.10142%0.421CS..EExtended strand (participates in β ladder)trans-152.7163.5176.464.2-81.9000111.3V130 V131 L162 V166 V171 W175 L179V130-F164 WeakPolarHBondContact CA-O 3.03Å; V131-F164 HydrophobicContact CG2-CD1 4.15Å; V131-F164 HydrophobicContact CG2-CD2 4.34Å; V131-F164 HydrophobicContact CG2-CE1 3.79Å; V131-F164 HydrophobicContact CG2-CE2 3.99Å; V131-F164 HydrophobicContact CG2-CG 4.43Å; V131-F164 HydrophobicContact CG2-CZ 3.72Å; V131-F164 PolarHBondContact N-O 3.05Å; V131-F164 PolarHBondContact O-N 2.91Å; V131-F164 VanDerWaalsContact O-N 3.16Å; L162-F164 HydrophobicContact CD2-CD1 3.83Å; L162-F164 HydrophobicContact CD2-CE1 3.93Å; L162-F164 HydrophobicContact CG-CD1 3.94Å; L162-F164 HydrophobicContact CG-CE1 4.38Å; F164-V166 HydrophobicContact CD2-CG1 4.37Å; F164-V166 HydrophobicContact CE2-CG1 3.8Å; F164-V166 HydrophobicContact CZ-CG1 4.44Å; F164-V171 HydrophobicContact CD2-CG1 3.6Å; F164-V171 HydrophobicContact CD2-CG2 4.23Å; F164-V171 HydrophobicContact CE1-CG1 4.41Å; F164-V171 HydrophobicContact CE2-CB 4.21Å; F164-V171 HydrophobicContact CE2-CG1 3.49Å; F164-V171 VanDerWaalsContact CE2-CG1 3.49Å; F164-V171 HydrophobicContact CE2-CG2 3.65Å; F164-V171 HydrophobicContact CG-CG1 4.11Å; F164-V171 HydrophobicContact CZ-CG1 3.89Å; F164-V171 HydrophobicContact CZ-CG2 4.4Å; F164-W175 HydrophobicContact CE1-CE3 4.25Å; F164-W175 AromaticContact CE1-CZ3 3.91Å; F164-W175 HydrophobicContact CE1-CZ3 3.91Å; F164-W175 AromaticContact CZ-CE3 3.7Å; F164-W175 HydrophobicContact CZ-CE3 3.7Å; F164-W175 AromaticContact CZ-CZ3 3.82Å; F164-W175 HydrophobicContact CZ-CZ3 3.82Å; F164-L179 HydrophobicContact CE1-CD1 4.44Å; F164-L179 HydrophobicContact CE2-CD1 3.94Å; F164-L179 HydrophobicContact CZ-CD1 3.36Å
165K84.2Confident75.8Confident108 Ų10875.7 Ų75.747%0.4738%0.381SS..EExtended strand (participates in β ladder)trans-84.9126.5176.6-68.1-173.3176.8-163.90110.9D129 V130 V168D129-K165 VanDerWaalsContact O-CA 3.25Å; D129-K165 WeakPolarHBondContact O-CA 3.42Å; V130-K165 HydrophobicContact CG2-CG 3.77Å; K165-V168 HydrophobicContact CB-CG2 3.48Å; K165-V168 VanDerWaalsContact CB-CG2 3.48Å; K165-V168 WeakPolarHBondContact O-CG2 3.25Å
166V83.8Confident77.2Confident0 Ų070.7 Ų70.70%036%0.361CS..THydrogen-bonded Turntrans-85.8155.7176.2-62.50000111.7P125 K126 G128 D129 V131 F164 V168 L179 L180P125-V166 HydrophobicContact CB-CG2 3.95Å; K126-V166 WeakPolarHBondContact O-CG2 3.48Å; G128-V166 PolarHBondContact N-O 2.91Å; D129-V166 PolarHBondContact O-N 2.69Å; D129-V166 VanDerWaalsContact O-N 3.08Å; V131-V166 HydrophobicContact CB-CG1 4.14Å; V131-V166 HydrophobicContact CG1-CG1 3.58Å; V131-V166 HydrophobicContact CG1-CG2 4.14Å; V131-V166 HydrophobicContact CG2-CG1 3.44Å; V131-V166 VanDerWaalsContact CG2-CG1 3.44Å; F164-V166 HydrophobicContact CD2-CG1 4.37Å; F164-V166 HydrophobicContact CE2-CG1 3.8Å; F164-V166 HydrophobicContact CZ-CG1 4.44Å; V166-V168 PolarHBondContact O-N 3.26Å; V166-L179 HydrophobicContact CG1-CB 4.19Å; V166-L179 HydrophobicContact CG1-CD1 4.45Å; V166-L180 HydrophobicContact CB-CD2 4.49Å; V166-L180 HydrophobicContact CG2-CD2 3.98Å
167G76.1Confident78.6Confident9 Ų966.9 Ų66.99%0.09335%0.345CS..THydrogen-bonded Turntrans78.33.7175.200000114.3K127 D176K127-G167 WeakPolarHBondContact CD-O 3.26Å; K127-G167 WeakPolarHBondContact CE-O 3.02Å; K127-G167 WeakPolarHBondContact CG-O 3.03Å; G167-D176 WeakPolarHBondContact CA-OD1 3.48Å; G167-D176 PolarHBondContact N-OD1 3.37Å; G167-D176 PolarHBondContact N-OD2 2.89Å
168V78.6Confident80.1Confident70 Ų7057.7 Ų57.742%0.42431%0.305SS..THydrogen-bonded Turntrans-121.612.1-171.4-640000113.2K165 V166 K170K165-V168 HydrophobicContact CB-CG2 3.48Å; K165-V168 VanDerWaalsContact CB-CG2 3.48Å; K165-V168 WeakPolarHBondContact O-CG2 3.25Å; V166-V168 PolarHBondContact O-N 3.26Å; V168-K170 VanDerWaalsContact C-N 3.33Å; V168-K170 HydrophobicContact CG2-CB 4.4Å; V168-K170 HydrophobicContact CG2-CG 3.69Å; V168-K170 PolarHBondContact O-N 3.25Å
169G75.8Confident81.4Confident62 Ų6251 Ų5164%0.63927%0.269SS*.THydrogen-bonded Turntrans7026.2176.900000114.3V171G169-V171 VanDerWaalsContact C-N 3.31Å
170K74.8Confident82.2Confident158 Ų15852.7 Ų52.769%0.68728%0.275SS*.SBendtrans-77.3-20.6173.2-72.7-70.1-179.4-173.80112.8V168V168-K170 VanDerWaalsContact C-N 3.33Å; V168-K170 HydrophobicContact CG2-CB 4.4Å; V168-K170 HydrophobicContact CG2-CG 3.69Å; V168-K170 PolarHBondContact O-N 3.25Å
171V80.1Confident82.5Confident35 Ų3547 Ų4721%0.21226%0.256CS..SBendtrans-126.4171.4178.4-67.80000109.8F164 G169 W175 D176F164-V171 HydrophobicContact CD2-CG1 3.6Å; F164-V171 HydrophobicContact CD2-CG2 4.23Å; F164-V171 HydrophobicContact CE1-CG1 4.41Å; F164-V171 HydrophobicContact CE2-CB 4.21Å; F164-V171 HydrophobicContact CE2-CG1 3.49Å; F164-V171 VanDerWaalsContact CE2-CG1 3.49Å; F164-V171 HydrophobicContact CE2-CG2 3.65Å; F164-V171 HydrophobicContact CG-CG1 4.11Å; F164-V171 HydrophobicContact CZ-CG1 3.89Å; F164-V171 HydrophobicContact CZ-CG2 4.4Å; G169-V171 VanDerWaalsContact C-N 3.31Å; V171-W175 HydrophobicContact CB-CB 3.98Å; V171-W175 HydrophobicContact CG1-CE3 4.34Å; V171-W175 HydrophobicContact CG2-CB 3.65Å; V171-D176 HydrophobicContact CG2-CB 4.13Å
172I82.6Confident82.6Confident29 Ų2945.3 Ų45.315%0.14925%0.245CC..  trans-57.7147.6176.261.4173.3000110.9G174 W175 D176 I192 W196 A197 Y198 L214 F216I172-G174 PolarHBondContact O-N 3.28Å; I172-G174 VanDerWaalsContact O-N 3.13Å; I172-W175 HydrophobicContact CD1-CG 4.48Å; I172-W175 HydrophobicContact CG1-CB 3.9Å; I172-W175 HydrophobicContact CG1-CG 3.96Å; I172-W175 WeakPolarHBondContact O-CA 3.46Å; I172-W175 WeakPolarHBondContact O-CB 3.34Å; I172-W175 PolarHBondContact O-N 2.87Å; I172-D176 PolarHBondContact O-N 3.38Å; I172-D176 VanDerWaalsContact O-N 3.09Å; I172-I192 HydrophobicContact CD1-CD1 3.75Å; I172-I192 HydrophobicContact CD1-CG2 4.29Å; I172-I192 HydrophobicContact CG1-CD1 4.39Å; I172-W196 WeakPolarHBondContact CB-O 3.47Å; I172-A197 HydrophobicContact CD1-CB 3.81Å; I172-Y198 HydrophobicContact CG2-CE1 4.25Å; I172-L214 HydrophobicContact CD1-CD1 4.5Å; I172-F216 HydrophobicContact CD1-CE2 4.02Å; I172-F216 HydrophobicContact CD1-CZ 4.4Å
173R81.4Confident82.7Confident103 Ų10342.2 Ų42.239%0.38923%0.229SC..Hα-helixtrans-53.2-40.4-174-173.7175.5179.4175.82.6112.4E106 W175 D176 E177 W196E106-R173 VanDerWaalsContact CD-NH2 3.33Å; E106-R173 IonicContact OE1-CZ 3.86Å; E106-R173 IonicContact OE1-NH1 3.58Å; E106-R173 PolarHBondContact OE1-NH1 2.72Å; E106-R173 IonicContact OE1-NH2 3.99Å; E106-R173 PolarHBondContact OE1-NH2 3.47Å; E106-R173 IonicContact OE2-CZ 3.58Å; E106-R173 IonicContact OE2-NH1 2.7Å; E106-R173 IonicContact OE2-NH2 2.72Å; E106-R173 PolarHBondContact OE2-NH2 3.38Å; R173-W175 VanDerWaalsContact C-N 3.3Å; R173-W175 PolarHBondContact O-N 3.48Å; R173-D176 PolarHBondContact O-N 2.92Å; R173-E177 WeakPolarHBondContact O-CG 3.39Å; R173-E177 PolarHBondContact O-N 2.66Å; R173-E177 VanDerWaalsContact O-N 3.08Å; R173-W196 HydrophobicContact CB-CB 4.36Å; R173-W196 HydrophobicContact CB-CD2 4.39Å; R173-W196 HydrophobicContact CB-CE3 4.47Å; R173-W196 HydrophobicContact CB-CG 4.33Å; R173-W196 HydrophobicContact CG-CD2 4Å; R173-W196 HydrophobicContact CG-CE3 3.96Å; R173-W196 HydrophobicContact CG-CG 4.41Å; R173-W196 HydrophobicContact CG-CZ3 4.29Å; R173-W196 PolarHBondContact N-O 3.39Å
174G84.1Confident82.8Confident0 Ų042.3 Ų42.30%022%0.22CC..Hα-helixtrans-63.6-31.9177.600000114.1I172 A178 W196I172-G174 PolarHBondContact O-N 3.28Å; I172-G174 VanDerWaalsContact O-N 3.13Å; G174-A178 WeakPolarHBondContact O-CB 3.15Å; G174-A178 PolarHBondContact O-N 3.38Å; G174-A178 VanDerWaalsContact O-N 3.12Å; G174-W196 PolarHBondContact N-O 2.92Å
175W85.5Confident82.8Confident10 Ų1042.7 Ų42.74%0.03823%0.231CC..Hα-helixtrans-73.2-45173.7-95.858.4000111.7Y135 F164 V171 I172 R173 E177 A178 L179 I192 F216 V218Y135-W175 AromaticContact CD1-CH2 3.67Å; Y135-W175 HydrophobicContact CD1-CH2 3.67Å; Y135-W175 HydrophobicContact CD1-CZ2 4.49Å; Y135-W175 AromaticContact CD2-CH2 3.93Å; Y135-W175 HydrophobicContact CD2-CH2 3.93Å; Y135-W175 AromaticContact CD2-CZ2 3.94Å; Y135-W175 HydrophobicContact CD2-CZ2 3.94Å; Y135-W175 HydrophobicContact CE1-CH2 4.38Å; Y135-W175 AromaticContact CG-CH2 3.42Å; Y135-W175 HydrophobicContact CG-CH2 3.42Å; Y135-W175 VanDerWaalsContact CG-CH2 3.42Å; Y135-W175 AromaticContact CG-CZ2 3.83Å; Y135-W175 HydrophobicContact CG-CZ2 3.83Å; F164-W175 HydrophobicContact CE1-CE3 4.25Å; F164-W175 AromaticContact CE1-CZ3 3.91Å; F164-W175 HydrophobicContact CE1-CZ3 3.91Å; F164-W175 AromaticContact CZ-CE3 3.7Å; F164-W175 HydrophobicContact CZ-CE3 3.7Å; F164-W175 AromaticContact CZ-CZ3 3.82Å; F164-W175 HydrophobicContact CZ-CZ3 3.82Å; V171-W175 HydrophobicContact CB-CB 3.98Å; V171-W175 HydrophobicContact CG1-CE3 4.34Å; V171-W175 HydrophobicContact CG2-CB 3.65Å; I172-W175 HydrophobicContact CD1-CG 4.48Å; I172-W175 HydrophobicContact CG1-CB 3.9Å; I172-W175 HydrophobicContact CG1-CG 3.96Å; I172-W175 WeakPolarHBondContact O-CA 3.46Å; I172-W175 WeakPolarHBondContact O-CB 3.34Å; I172-W175 PolarHBondContact O-N 2.87Å; R173-W175 VanDerWaalsContact C-N 3.3Å; R173-W175 PolarHBondContact O-N 3.48Å; W175-E177 VanDerWaalsContact C-N 3.3Å; W175-E177 PolarHBondContact O-N 3.45Å; W175-A178 PolarHBondContact O-N 3.48Å; W175-L179 HydrophobicContact CB-CD1 4.45Å; W175-L179 HydrophobicContact CD2-CD1 4.26Å; W175-L179 HydrophobicContact CE3-CD1 3.55Å; W175-L179 HydrophobicContact CZ3-CD1 4.13Å; W175-L179 WeakPolarHBondContact O-CB 3.39Å; W175-L179 WeakPolarHBondContact O-CG 3.44Å; W175-L179 PolarHBondContact O-N 3.47Å; W175-I192 HydrophobicContact CG-CD1 4.34Å; W175-F216 AromaticContact CE2-CD1 3.93Å; W175-F216 AromaticContact CE2-CG 3.93Å; W175-F216 HydrophobicContact CZ2-CB 4.15Å; W175-F216 AromaticContact CZ2-CD1 3.6Å; W175-F216 HydrophobicContact CZ2-CD1 3.6Å; W175-F216 HydrophobicContact CZ2-CE1 4.06Å; W175-F216 AromaticContact CZ2-CG 3.95Å; W175-F216 HydrophobicContact CZ2-CG 3.95Å; W175-F216 AromaticContact NE1-CD1 3.65Å; W175-F216 AromaticContact NE1-CD2 3.27Å; W175-F216 VanDerWaalsContact NE1-CD2 3.27Å; W175-F216 AromaticContact NE1-CE1 3.87Å; W175-F216 AromaticContact NE1-CE2 3.5Å; W175-F216 AromaticContact NE1-CG 3.3Å; W175-F216 VanDerWaalsContact NE1-CG 3.3Å; W175-F216 AromaticContact NE1-CZ 3.77Å; W175-V218 HydrophobicContact CH2-CG1 4.42Å; W175-V218 HydrophobicContact CH2-CG2 3.89Å; W175-V218 HydrophobicContact CZ2-CG2 3.59Å
176D81.9Confident83Confident22 Ų2238 Ų3812%0.11821%0.21CC..Hα-helixtrans-58.5-45-177.2-146.4-125.7000110.5G167 V171 I172 R173 L180G167-D176 WeakPolarHBondContact CA-OD1 3.48Å; G167-D176 PolarHBondContact N-OD1 3.37Å; G167-D176 PolarHBondContact N-OD2 2.89Å; V171-D176 HydrophobicContact CG2-CB 4.13Å; I172-D176 PolarHBondContact O-N 3.38Å; I172-D176 VanDerWaalsContact O-N 3.09Å; R173-D176 PolarHBondContact O-N 2.92Å; D176-L180 VanDerWaalsContact O-CD1 3.3Å; D176-L180 WeakPolarHBondContact O-CD1 3.41Å; D176-L180 WeakPolarHBondContact O-CG 3.32Å
177E83.1Confident83.2Confident76 Ų7641 Ų4136%0.35522%0.224SC..Hα-helixtrans-71.9-44.5176.6-66.7-112.59800112.6Y111 R173 W175 L179 W196Y111-E177 HydrophobicContact CD1-CB 4.45Å; Y111-E177 HydrophobicContact CE1-CB 3.59Å; Y111-E177 HydrophobicContact CE1-CG 4.43Å; R173-E177 WeakPolarHBondContact O-CG 3.39Å; R173-E177 PolarHBondContact O-N 2.66Å; R173-E177 VanDerWaalsContact O-N 3.08Å; W175-E177 VanDerWaalsContact C-N 3.3Å; W175-E177 PolarHBondContact O-N 3.45Å; E177-L179 PolarHBondContact O-N 3.08Å; E177-W196 HydrophobicContact CB-CZ3 4.4Å; E177-W196 HydrophobicContact CG-CZ3 3.96Å; E177-W196 VanDerWaalsContact OE2-CH2 3.32Å; E177-W196 WeakPolarHBondContact OE2-CH2 3.3Å; E177-W196 WeakPolarHBondContact OE2-CZ3 3.41Å
178A86.9Confident83.8Confident0 Ų040.6 Ų40.60%022%0.219CC..Hα-helixtrans-65.2-41.1-176.200000112.5Y111 G174 W175 T181 L190Y111-A178 HydrophobicContact CD2-CB 3.88Å; Y111-A178 HydrophobicContact CE2-CB 3.56Å; G174-A178 WeakPolarHBondContact O-CB 3.15Å; G174-A178 PolarHBondContact O-N 3.38Å; G174-A178 VanDerWaalsContact O-N 3.12Å; W175-A178 PolarHBondContact O-N 3.48Å; A178-T181 PolarHBondContact O-N 3.1Å; A178-T181 VanDerWaalsContact O-N 3.13Å; A178-T181 PolarHBondContact O-OG1 2.88Å; A178-L190 HydrophobicContact CB-CD1 3.52Å; A178-L190 HydrophobicContact CB-CD2 3.6Å; A178-L190 HydrophobicContact CB-CG 4.14Å
179L87.1Confident84.4Confident0 Ų041.9 Ų41.90%022%0.216CC..Hα-helixtrans-71.1-31.3-176-75.7164.9000113P125 F164 V166 W175 E177 T181 M182 V218 L220P125-L179 WeakPolarHBondContact CG-O 3.35Å; F164-L179 HydrophobicContact CE1-CD1 4.44Å; F164-L179 HydrophobicContact CE2-CD1 3.94Å; F164-L179 HydrophobicContact CZ-CD1 3.36Å; V166-L179 HydrophobicContact CG1-CB 4.19Å; V166-L179 HydrophobicContact CG1-CD1 4.45Å; W175-L179 HydrophobicContact CB-CD1 4.45Å; W175-L179 HydrophobicContact CD2-CD1 4.26Å; W175-L179 HydrophobicContact CE3-CD1 3.55Å; W175-L179 HydrophobicContact CZ3-CD1 4.13Å; W175-L179 WeakPolarHBondContact O-CB 3.39Å; W175-L179 WeakPolarHBondContact O-CG 3.44Å; W175-L179 PolarHBondContact O-N 3.47Å; E177-L179 PolarHBondContact O-N 3.08Å; L179-T181 PolarHBondContact O-N 3.42Å; L179-T181 VanDerWaalsContact O-N 3.15Å; L179-M182 HydrophobicContact CD2-CG 4.47Å; L179-M182 HydrophobicContact CD2-SD 3.59Å; L179-M182 VanDerWaalsContact CD2-SD 3.59Å; L179-M182 WeakPolarHBondContact O-CB 3.39Å; L179-M182 PolarHBondContact O-N 2.88Å; L179-V218 HydrophobicContact CD2-CG1 3.9Å; L179-L220 HydrophobicContact CD2-CD1 4.22Å
180L85Confident85Confident55 Ų5539 Ų3929%0.28819%0.186SC..Hα-helixtrans-58-26.1171.4-69.8167.4000112.1P125 V166 D176P125-L180 WeakPolarHBondContact O-CD2 3.47Å; V166-L180 HydrophobicContact CB-CD2 4.49Å; V166-L180 HydrophobicContact CG2-CD2 3.98Å; D176-L180 VanDerWaalsContact O-CD1 3.3Å; D176-L180 WeakPolarHBondContact O-CD1 3.41Å; D176-L180 WeakPolarHBondContact O-CG 3.32Å
181T83.1Confident85.7Confident58 Ų5833.4 Ų33.436%0.35616%0.163SC..THydrogen-bonded Turntrans-91.5-4.7177.275.80000113.9K113 A178 L179K113-T181 WeakPolarHBondContact CD-OG1 3.22Å; K113-T181 WeakPolarHBondContact CE-OG1 3.35Å; K113-T181 PolarHBondContact NZ-O 3.18Å; K113-T181 PolarHBondContact NZ-OG1 3.01Å; A178-T181 PolarHBondContact O-N 3.1Å; A178-T181 VanDerWaalsContact O-N 3.13Å; A178-T181 PolarHBondContact O-OG1 2.88Å; L179-T181 PolarHBondContact O-N 3.42Å; L179-T181 VanDerWaalsContact O-N 3.15Å
182M85.3Confident86Confident0 Ų031.8 Ų31.80%015%0.153CC..PPolyproline II helixtrans-89.5142.8-179.4-68.7-171.96500110.7K113 F124 P125 L179 E186 A188 V218 L220K113-M182 HydrophobicContact CD-CG 4.17Å; F124-M182 WeakPolarHBondContact CD1-O 3.38Å; P125-M182 WeakPolarHBondContact CD-O 3.42Å; L179-M182 HydrophobicContact CD2-CG 4.47Å; L179-M182 HydrophobicContact CD2-SD 3.59Å; L179-M182 VanDerWaalsContact CD2-SD 3.59Å; L179-M182 WeakPolarHBondContact O-CB 3.39Å; L179-M182 PolarHBondContact O-N 2.88Å; M182-E186 HydrophobicContact CE-CB 4.02Å; M182-E186 HydrophobicContact CE-CG 4.02Å; M182-E186 WeakPolarHBondContact CE-O 3.4Å; M182-A188 HydrophobicContact CE-CB 3.63Å; M182-A188 HydrophobicContact CG-CB 4.45Å; M182-A188 HydrophobicContact SD-CB 3.92Å; M182-V218 HydrophobicContact SD-CB 4.42Å; M182-L220 HydrophobicContact CB-CD2 4.33Å; M182-L220 HydrophobicContact CE-CB 4.38Å
183S85.9Confident86.2Confident0 Ų033.9 Ų33.90%016%0.162CC..PPolyproline II helixtrans-96156.217455.40000112.5G119 K121 N123 G185 E186 L220G119-S183 WeakPolarHBondContact CA-OG 3.17Å; K121-S183 VanDerWaalsContact N-CB 3.26Å; K121-S183 PolarHBondContact N-OG 2.92Å; N123-S183 CarbonylContact O-C 3.47Å; N123-S183 VanDerWaalsContact O-CA 3.24Å; N123-S183 WeakPolarHBondContact O-CA 3.08Å; S183-G185 PolarHBondContact O-N 3.34Å; S183-E186 PolarHBondContact N-OE2 3.41Å; S183-E186 WeakPolarHBondContact O-CB 3.18Å; S183-E186 PolarHBondContact O-N 3.37Å; S183-E186 PolarHBondContact OG-OE2 2.77Å; S183-L220 WeakPolarHBondContact O-CD2 3.42Å
184K89.5Confident86.3Confident70 Ų7029.6 Ų29.630%0.30415%0.147SC..THydrogen-bonded Turntrans-53.5129.6174.7-175.3169.8176.7160.40110.7G119 D120 N123 E186 D222 I223G119-K184 CarbonylContact C-O 3.53Å; G119-K184 VanDerWaalsContact CA-O 3.31Å; G119-K184 WeakPolarHBondContact CA-O 3.22Å; D120-K184 PolarHBondContact N-O 2.87Å; N123-K184 HydrophobicContact CB-CB 3.89Å; N123-K184 PolarHBondContact O-N 3.45Å; K184-E186 VanDerWaalsContact C-N 3.3Å; K184-E186 PolarHBondContact O-N 3.1Å; K184-D222 WeakPolarHBondContact CE-OD2 3.44Å; K184-D222 IonicContact NZ-OD1 2.74Å; K184-D222 PolarHBondContact NZ-OD1 2.78Å; K184-D222 IonicContact NZ-OD2 3.33Å; K184-D222 PolarHBondContact NZ-OD2 3.21Å; K184-I223 HydrophobicContact CB-CD1 4.18Å
185G84.9Confident86.3Confident31 Ų3135.6 Ų35.632%0.3218%0.175SC..THydrogen-bonded Turntrans80.40.1-175.100000115.4S183 L220S183-G185 PolarHBondContact O-N 3.34Å; G185-L220 WeakPolarHBondContact CA-O 3.36Å; G185-L220 PolarHBondContact N-O 3.19Å
186E87Confident86.1Confident10 Ų1036.3 Ų36.35%0.04718%0.178CC..  trans-75.2134.5179.2-171.3174.5134.700111K113 V115 K117 M182 S183 K184 E219 L220K113-E186 IonicContact NZ-OE1 2.7Å; K113-E186 PolarHBondContact NZ-OE1 2.94Å; V115-E186 HydrophobicContact CG1-CG 3.83Å; V115-E186 WeakPolarHBondContact CG2-OE1 3.31Å; K117-E186 WeakPolarHBondContact O-CA 3.18Å; K117-E186 WeakPolarHBondContact O-CG 3.44Å; M182-E186 HydrophobicContact CE-CB 4.02Å; M182-E186 HydrophobicContact CE-CG 4.02Å; M182-E186 WeakPolarHBondContact CE-O 3.4Å; S183-E186 PolarHBondContact N-OE2 3.41Å; S183-E186 WeakPolarHBondContact O-CB 3.18Å; S183-E186 PolarHBondContact O-N 3.37Å; S183-E186 PolarHBondContact OG-OE2 2.77Å; K184-E186 VanDerWaalsContact C-N 3.3Å; K184-E186 PolarHBondContact O-N 3.1Å; E186-E219 CarbonylContact O-C 3.51Å; E186-E219 WeakPolarHBondContact O-CA 3.48Å; E186-L220 PolarHBondContact O-N 3.44Å
187K88.4Confident86.3Confident64 Ų6436.2 Ų36.228%0.27818%0.181SC..EExtended strand (participates in β ladder)trans-106125.6164.5-168.3179.7176-171.40108.8L116 K117 E217 V218 E219L116-K187 WeakPolarHBondContact CA-O 3.42Å; L116-K187 HydrophobicContact CB-CB 4.45Å; L116-K187 HydrophobicContact CB-CG 4.36Å; L116-K187 WeakPolarHBondContact CB-O 3.19Å; L116-K187 HydrophobicContact CD1-CD 4.39Å; L116-K187 HydrophobicContact CD1-CG 4.17Å; L116-K187 PolarHBondContact N-O 2.72Å; K117-K187 HydrophobicContact CB-CB 3.7Å; K117-K187 PolarHBondContact N-O 3.31Å; K117-K187 PolarHBondContact O-N 2.8Å; K187-E217 IonicContact NZ-OE1 2.82Å; K187-E217 PolarHBondContact NZ-OE1 3.5Å; K187-V218 CarbonylContact C-O 3.56Å; K187-V218 VanDerWaalsContact CA-O 3.28Å; K187-V218 WeakPolarHBondContact CA-O 3.38Å; K187-E219 HydrophobicContact CB-CB 4.33Å; K187-E219 HydrophobicContact CB-CG 4.33Å; K187-E219 HydrophobicContact CG-CB 4.14Å
188A89.3Confident86.2Confident0 Ų036.6 Ų36.60%018%0.179CC..EExtended strand (participates in β ladder)trans-134.1149.8178.300000111.3K113 S114 M182 L190 E217 V218K113-A188 HydrophobicContact CD-CB 4.16Å; K113-A188 HydrophobicContact CG-CB 4Å; S114-A188 CarbonylContact O-C 3.57Å; S114-A188 WeakPolarHBondContact O-CA 3.4Å; M182-A188 HydrophobicContact CE-CB 3.63Å; M182-A188 HydrophobicContact CG-CB 4.45Å; M182-A188 HydrophobicContact SD-CB 3.92Å; A188-L190 HydrophobicContact CB-CD2 4.37Å; A188-E217 CarbonylContact O-C 3.5Å; A188-E217 WeakPolarHBondContact O-CA 3.33Å; A188-V218 PolarHBondContact N-O 3.21Å; A188-V218 PolarHBondContact O-N 3.31Å
189R90.1Very high85.8Confident97 Ų9737.5 Ų37.537%0.36619%0.188SC..EExtended strand (participates in β ladder)trans-97.8119.6169-171.8177.9179.7-155.40.3108.7K113 S114 L116 I215 F216 E217K113-R189 CarbonylContact C-O 3.54Å; K113-R189 WeakPolarHBondContact CA-O 3.49Å; S114-R189 PolarHBondContact N-O 3.33Å; S114-R189 PolarHBondContact O-N 3.25Å; L116-R189 HydrophobicContact CD1-CB 3.85Å; L116-R189 HydrophobicContact CG-CB 4.26Å; R189-I215 HydrophobicContact CG-CG2 4.09Å; R189-F216 CarbonylContact C-O 3.6Å; R189-F216 WeakPolarHBondContact CA-O 3.48Å; R189-E217 HydrophobicContact CG-CG 4.36Å
190L89.7Confident85.4Confident0 Ų045.5 Ų45.50%022%0.223CC..EExtended strand (participates in β ladder)trans-104.9129.4177.4-50.9-177000108.8T112 K113 A178 A188 I192 I215 F216 V218T112-L190 CarbonylContact O-C 3.53Å; T112-L190 WeakPolarHBondContact O-CA 3.48Å; K113-L190 HydrophobicContact CB-CD2 3.72Å; K113-L190 HydrophobicContact CD-CD2 4Å; K113-L190 HydrophobicContact CG-CD2 3.52Å; A178-L190 HydrophobicContact CB-CD1 3.52Å; A178-L190 HydrophobicContact CB-CD2 3.6Å; A178-L190 HydrophobicContact CB-CG 4.14Å; A188-L190 HydrophobicContact CB-CD2 4.37Å; L190-I192 HydrophobicContact CB-CD1 4.47Å; L190-I192 HydrophobicContact CB-CG1 4.48Å; L190-I215 CarbonylContact O-C 3.55Å; L190-I215 WeakPolarHBondContact O-CA 3.47Å; L190-F216 HydrophobicContact CB-CB 4.33Å; L190-F216 PolarHBondContact N-O 3.07Å; L190-F216 PolarHBondContact O-N 3.39Å; L190-V218 HydrophobicContact CD1-CG2 3.83Å; L190-V218 HydrophobicContact CG-CG2 4.31Å
191E88.1Confident85Confident42 Ų4251.9 Ų51.920%0.19625%0.249CC..EExtended strand (participates in β ladder)trans-117.7110.1176.1-76.6-170.27500107.3Y111 T112 K213 L214 I215Y111-E191 CarbonylContact C-O 3.54Å; Y111-E191 WeakPolarHBondContact CA-O 3.48Å; T112-E191 PolarHBondContact N-O 3.41Å; T112-E191 PolarHBondContact O-N 3.29Å; E191-K213 WeakPolarHBondContact OE1-CE 3.19Å; E191-K213 IonicContact OE1-NZ 2.78Å; E191-K213 PolarHBondContact OE1-NZ 2.89Å; E191-L214 CarbonylContact C-O 3.28Å; E191-L214 WeakPolarHBondContact CA-O 3.47Å; E191-I215 HydrophobicContact CG-CG1 4.27Å; E191-I215 HydrophobicContact CG-CG2 4.31Å
192I86.4Confident85Confident0 Ų049.7 Ų49.70%024%0.237CC..EExtended strand (participates in β ladder)trans-115123.5-170.5-57.3167.9000108.4I172 W175 L190 W196 A197 K213 L214 F216I172-I192 HydrophobicContact CD1-CD1 3.75Å; I172-I192 HydrophobicContact CD1-CG2 4.29Å; I172-I192 HydrophobicContact CG1-CD1 4.39Å; W175-I192 HydrophobicContact CG-CD1 4.34Å; L190-I192 HydrophobicContact CB-CD1 4.47Å; L190-I192 HydrophobicContact CB-CG1 4.48Å; I192-W196 HydrophobicContact CG2-CB 3.93Å; I192-A197 HydrophobicContact CG2-CB 3.97Å; I192-K213 WeakPolarHBondContact O-CG 3.29Å; I192-L214 PolarHBondContact N-O 2.99Å; I192-L214 PolarHBondContact O-N 3.3Å; I192-F216 HydrophobicContact CD1-CD2 4.05Å; I192-F216 HydrophobicContact CD1-CE2 4.24Å
193E88.1Confident84.9Confident74 Ų7452.3 Ų52.335%0.34625%0.25SC..  trans-66150.2175-66.3-62.8117.400109.9K110 E195 W196 A197 K213K110-E193 HydrophobicContact CB-CB 4.09Å; K110-E193 HydrophobicContact CB-CG 4.4Å; K110-E193 VanDerWaalsContact O-CB 3.3Å; K110-E193 WeakPolarHBondContact O-CB 3.35Å; K110-E193 WeakPolarHBondContact O-CG 3.38Å; K110-E193 PolarHBondContact O-N 3.13Å; E193-E195 PolarHBondContact O-N 3.36Å; E193-W196 PolarHBondContact O-N 3.16Å; E193-A197 PolarHBondContact O-N 2.82Å; E193-K213 WeakPolarHBondContact OE1-CD 3.16Å; E193-K213 WeakPolarHBondContact OE1-CE 3.34Å; E193-K213 IonicContact OE1-NZ 2.78Å
194P83.6Confident84.5Confident12 Ų1257.3 Ų57.38%0.07828%0.282CS..G310 helixtrans-51.6-37.1-177.720.1-34.3000112.2W196 A197 Y198 G199 N211P194-W196 PolarHBondContact O-N 3.37Å; P194-W196 VanDerWaalsContact O-N 3.16Å; P194-A197 CarbonylContact O-C 3.6Å; P194-A197 VanDerWaalsContact O-C 3.28Å; P194-A197 WeakPolarHBondContact O-CA 3.34Å; P194-A197 PolarHBondContact O-N 2.99Å; P194-Y198 PolarHBondContact O-N 3.34Å; P194-G199 WeakPolarHBondContact O-CA 3.49Å; P194-G199 PolarHBondContact O-N 2.72Å; P194-N211 HydrophobicContact CG-CB 4.27Å
195E82.7Confident84Confident126 Ų12661.1 Ų61.159%0.58931%0.306SS*.G310 helixtrans-58.8-28.8-178.8-60-171.284.900114.6K110 E193K110-E195 HydrophobicContact CD-CB 3.74Å; K110-E195 HydrophobicContact CD-CG 4.37Å; K110-E195 VanDerWaalsContact CD-OE2 3.28Å; K110-E195 WeakPolarHBondContact CD-OE2 3.34Å; K110-E195 WeakPolarHBondContact CE-OE2 3.22Å; K110-E195 IonicContact NZ-OE1 3.44Å; K110-E195 PolarHBondContact NZ-OE1 3.4Å; K110-E195 IonicContact NZ-OE2 3.25Å; K110-E195 PolarHBondContact NZ-OE2 2.77Å; E193-E195 PolarHBondContact O-N 3.36Å
196W82.5Confident83.5Confident25 Ų2560.9 Ų60.910%0.09530%0.3CS..G310 helixtrans-106.212.4175.5-78.423.5000112.6P109 K110 Y111 I172 R173 G174 E177 I192 E193 P194P109-W196 HydrophobicContact CB-CH2 4.21Å; P109-W196 HydrophobicContact CB-CZ3 4.24Å; K110-W196 HydrophobicContact CB-CB 4.3Å; K110-W196 HydrophobicContact CB-CD2 3.87Å; K110-W196 HydrophobicContact CB-CG 3.74Å; K110-W196 HydrophobicContact CG-CD2 4.4Å; K110-W196 HydrophobicContact CG-CG 4.39Å; Y111-W196 AromaticContact CD1-CE3 3.64Å; Y111-W196 HydrophobicContact CD1-CE3 3.64Å; Y111-W196 AromaticContact CD1-CZ3 3.44Å; Y111-W196 HydrophobicContact CD1-CZ3 3.44Å; Y111-W196 VanDerWaalsContact CD1-CZ3 3.44Å; Y111-W196 HydrophobicContact CE1-CE3 4.29Å; Y111-W196 AromaticContact CE1-CZ3 3.66Å; Y111-W196 HydrophobicContact CE1-CZ3 3.66Å; I172-W196 WeakPolarHBondContact CB-O 3.47Å; R173-W196 HydrophobicContact CB-CB 4.36Å; R173-W196 HydrophobicContact CB-CD2 4.39Å; R173-W196 HydrophobicContact CB-CE3 4.47Å; R173-W196 HydrophobicContact CB-CG 4.33Å; R173-W196 HydrophobicContact CG-CD2 4Å; R173-W196 HydrophobicContact CG-CE3 3.96Å; R173-W196 HydrophobicContact CG-CG 4.41Å; R173-W196 HydrophobicContact CG-CZ3 4.29Å; R173-W196 PolarHBondContact N-O 3.39Å; G174-W196 PolarHBondContact N-O 2.92Å; E177-W196 HydrophobicContact CB-CZ3 4.4Å; E177-W196 HydrophobicContact CG-CZ3 3.96Å; E177-W196 VanDerWaalsContact OE2-CH2 3.32Å; E177-W196 WeakPolarHBondContact OE2-CH2 3.3Å; E177-W196 WeakPolarHBondContact OE2-CZ3 3.41Å; I192-W196 HydrophobicContact CG2-CB 3.93Å; E193-W196 PolarHBondContact O-N 3.16Å; P194-W196 PolarHBondContact O-N 3.37Å; P194-W196 VanDerWaalsContact O-N 3.16Å
197A86.3Confident83.2Confident21 Ų2169.1 Ų69.117%0.17434%0.336CS..THydrogen-bonded Turntrans-123.7-112.2173.800000110.5I172 I192 E193 P194 L214I172-A197 HydrophobicContact CD1-CB 3.81Å; I192-A197 HydrophobicContact CG2-CB 3.97Å; E193-A197 PolarHBondContact O-N 2.82Å; P194-A197 CarbonylContact O-C 3.6Å; P194-A197 VanDerWaalsContact O-C 3.28Å; P194-A197 WeakPolarHBondContact O-CA 3.34Å; P194-A197 PolarHBondContact O-N 2.99Å; A197-L214 HydrophobicContact CB-CD1 3.64Å; A197-L214 HydrophobicContact CB-CG 4.17Å
198Y80.8Confident82.8Confident83 Ų8366.3 Ų66.333%0.32532%0.324SS..THydrogen-bonded Turntrans-102.34.9-175.5-58.4-64.8000114.9I172 P194 G202 Q203 I208 L214I172-Y198 HydrophobicContact CG2-CE1 4.25Å; P194-Y198 PolarHBondContact O-N 3.34Å; Y198-G202 PolarHBondContact O-N 3.03Å; Y198-G202 VanDerWaalsContact O-N 3.15Å; Y198-Q203 HydrophobicContact CD1-CB 4.11Å; Y198-Q203 HydrophobicContact CD2-CB 4.11Å; Y198-Q203 HydrophobicContact CG-CB 3.91Å; Y198-Q203 PolarHBondContact OH-OE1 3.25Å; Y198-Q203 VanDerWaalsContact OH-OE1 3.09Å; Y198-I208 HydrophobicContact CD2-CD1 3.58Å; Y198-I208 HydrophobicContact CD2-CG2 4.24Å; Y198-I208 HydrophobicContact CE2-CD1 3.4Å; Y198-L214 HydrophobicContact CD2-CD1 3.61Å; Y198-L214 HydrophobicContact CE2-CD1 3.52Å
199G78.6Confident82.4Confident19 Ų1969.4 Ų69.420%0.19634%0.344CS..G310 helixtrans62.7-157.3172.500000114.7P194 K201 G202 N211P194-G199 WeakPolarHBondContact O-CA 3.49Å; P194-G199 PolarHBondContact O-N 2.72Å; G199-K201 PolarHBondContact O-N 3.09Å; G199-G202 PolarHBondContact O-N 2.82Å; G199-N211 PolarHBondContact O-N 3.33Å; G199-N211 VanDerWaalsContact O-N 3.12Å
200K78.4Confident82.2Confident169 Ų16968.7 Ų68.774%0.73535%0.352SS*.G310 helixtrans-64.5-18176.8-69.5174.5-179.6-177.30113.5P210 N211K200-P210 WeakPolarHBondContact O-CB 3.32Å; K200-N211 WeakPolarHBondContact CA-OD1 3.28Å; K200-N211 WeakPolarHBondContact CG-OD1 3.44Å
201K76.3Confident81.8Confident189 Ų18972.8 Ų72.882%0.82237%0.374SS*.G310 helixtrans-82.4-27.2179.1-67.2-176.7178.3-1800111.9G199G199-K201 PolarHBondContact O-N 3.09Å
202G83Confident81.5Confident11 Ų1171.3 Ų71.311%0.11337%0.369CS..  trans64-161.6-169.700000111Y198 G199 P209Y198-G202 PolarHBondContact O-N 3.03Å; Y198-G202 VanDerWaalsContact O-N 3.15Å; G199-G202 PolarHBondContact O-N 2.82Å; G202-P209 WeakPolarHBondContact CA-O 3.3Å
203Q83.9Confident81.4Confident56 Ų5672.9 Ų72.926%0.26238%0.376SS..BIsolated β-bridgetrans-137.695.2175.1-170.7-179-2.800109.6Y198 D205 A206 K207 I208Y198-Q203 HydrophobicContact CD1-CB 4.11Å; Y198-Q203 HydrophobicContact CD2-CB 4.11Å; Y198-Q203 HydrophobicContact CG-CB 3.91Å; Y198-Q203 PolarHBondContact OH-OE1 3.25Å; Y198-Q203 VanDerWaalsContact OH-OE1 3.09Å; Q203-D205 VanDerWaalsContact C-N 3.29Å; Q203-D205 PolarHBondContact O-N 3.19Å; Q203-A206 HydrophobicContact CB-CB 4.37Å; Q203-A206 HydrophobicContact CG-CB 4.04Å; Q203-A206 CarbonylContact O-C 3.51Å; Q203-A206 PolarHBondContact O-N 2.91Å; Q203-A206 VanDerWaalsContact O-N 3.16Å; Q203-K207 PolarHBondContact O-N 2.89Å; Q203-I208 CarbonylContact C-O 3.5Å; Q203-I208 HydrophobicContact CB-CB 4.02Å; Q203-I208 HydrophobicContact CB-CD1 4.15Å; Q203-I208 HydrophobicContact CB-CG1 4.42Å; Q203-I208 PolarHBondContact N-O 3.17Å; Q203-I208 PolarHBondContact O-N 3.36Å
204P77.2Confident81.4Confident104 Ų10469.4 Ų69.468%0.67536%0.36SS*.G310 helixtrans-56.9-40.2-177.8-24.333000113.2A206 K207P204-A206 PolarHBondContact O-N 3.08Å; P204-K207 WeakPolarHBondContact O-CA 3.36Å; P204-K207 PolarHBondContact O-N 3.2Å
205D79.3Confident81.7Confident151 Ų15169.5 Ų69.581%0.80736%0.359SS*.G310 helixtrans-58.3-35.5179-65.7-92.2000113.2Q203 K207Q203-D205 VanDerWaalsContact C-N 3.29Å; Q203-D205 PolarHBondContact O-N 3.19Å; D205-K207 VanDerWaalsContact C-N 3.35Å
206A73.3Confident82Confident25 Ų2563.8 Ų63.821%0.20733%0.333CS..G310 helixtrans-95.610.4177.800000112.4Q203 P204 I208Q203-A206 HydrophobicContact CB-CB 4.37Å; Q203-A206 HydrophobicContact CG-CB 4.04Å; Q203-A206 CarbonylContact O-C 3.51Å; Q203-A206 PolarHBondContact O-N 2.91Å; Q203-A206 VanDerWaalsContact O-N 3.16Å; P204-A206 PolarHBondContact O-N 3.08Å; A206-I208 HydrophobicContact CB-CD1 3.75Å; A206-I208 HydrophobicContact CB-CG1 3.79Å; A206-I208 PolarHBondContact O-N 3.06Å
207K82Confident82.3Confident184 Ų18466 Ų6680%0.834%0.344SS*.THydrogen-bonded Turntrans5529.4-173.8-56.1177-178.31770113.2Q203 P204 D205 P209Q203-K207 PolarHBondContact O-N 2.89Å; P204-K207 WeakPolarHBondContact O-CA 3.36Å; P204-K207 PolarHBondContact O-N 3.2Å; D205-K207 VanDerWaalsContact C-N 3.35Å; K207-P209 WeakPolarHBondContact O-CD 3.38Å
208I80.1Confident82.4Confident5 Ų565 Ų653%0.02634%0.335CS..BIsolated β-bridgetrans-89.3115.8179.2-59.6177000108.2L139 F145 Y198 Q203 A206 A212 L214L139-I208 HydrophobicContact CD2-CG1 4.33Å; L139-I208 HydrophobicContact CD2-CG2 4.25Å; F145-I208 HydrophobicContact CB-CG1 4.23Å; F145-I208 HydrophobicContact CD2-CD1 3.6Å; F145-I208 HydrophobicContact CD2-CG1 4.09Å; F145-I208 HydrophobicContact CE2-CD1 3.79Å; F145-I208 HydrophobicContact CG-CD1 4.06Å; F145-I208 HydrophobicContact CG-CG1 4.06Å; F145-I208 HydrophobicContact CZ-CD1 4.36Å; Y198-I208 HydrophobicContact CD2-CD1 3.58Å; Y198-I208 HydrophobicContact CD2-CG2 4.24Å; Y198-I208 HydrophobicContact CE2-CD1 3.4Å; Q203-I208 CarbonylContact C-O 3.5Å; Q203-I208 HydrophobicContact CB-CB 4.02Å; Q203-I208 HydrophobicContact CB-CD1 4.15Å; Q203-I208 HydrophobicContact CB-CG1 4.42Å; Q203-I208 PolarHBondContact N-O 3.17Å; Q203-I208 PolarHBondContact O-N 3.36Å; A206-I208 HydrophobicContact CB-CD1 3.75Å; A206-I208 HydrophobicContact CB-CG1 3.79Å; A206-I208 PolarHBondContact O-N 3.06Å; I208-A212 HydrophobicContact CG2-CB 3.65Å; I208-L214 HydrophobicContact CD1-CD1 4.46Å; I208-L214 HydrophobicContact CD1-CD2 4.13Å; I208-L214 HydrophobicContact CG2-CD2 3.78Å
209P81.1Confident82.8Confident65 Ų6564.1 Ų64.142%0.42233%0.334SS..  trans-67.7161.6-178.920.9-23.9000112.5G202 K207 A212G202-P209 WeakPolarHBondContact CA-O 3.3Å; K207-P209 WeakPolarHBondContact O-CD 3.38Å; P209-A212 HydrophobicContact CG-CB 3.87Å; P209-A212 WeakPolarHBondContact O-CB 3.32Å; P209-A212 PolarHBondContact O-N 3.46Å
210P84.3Confident83.2Confident81 Ų8163.2 Ų63.253%0.52633%0.325SS..THydrogen-bonded Turntrans-60.2140.3174.126.2-35.1000111K200 A212K200-P210 WeakPolarHBondContact O-CB 3.32Å; P210-A212 PolarHBondContact O-N 3.12Å
211N82.8Confident83.6Confident87 Ų8757.9 Ų57.947%0.46531%0.307SS..THydrogen-bonded Turntrans57.823.8-175.8-57.9-65.1000114.6P194 G199 K200 K213P194-N211 HydrophobicContact CG-CB 4.27Å; G199-N211 PolarHBondContact O-N 3.33Å; G199-N211 VanDerWaalsContact O-N 3.12Å; K200-N211 WeakPolarHBondContact CA-OD1 3.28Å; K200-N211 WeakPolarHBondContact CG-OD1 3.44Å; N211-K213 PolarHBondContact O-N 2.87Å
212A81.4Confident84.1Confident11 Ų1151.8 Ų51.89%0.09128%0.283CS..  trans-71.1127.9175.200000111.2L139 I208 P209 P210 L214L139-A212 HydrophobicContact CD2-CB 4.31Å; I208-A212 HydrophobicContact CG2-CB 3.65Å; P209-A212 HydrophobicContact CG-CB 3.87Å; P209-A212 WeakPolarHBondContact O-CB 3.32Å; P209-A212 PolarHBondContact O-N 3.46Å; P210-A212 PolarHBondContact O-N 3.12Å; A212-L214 HydrophobicContact CB-CD2 4.45Å
213K84.9Confident84.4Confident33 Ų3352.5 Ų52.514%0.14328%0.284CS..  trans-74.8134164.3-173.2-175.4-173.5-179.10109.4Q140 E191 I192 E193 N211Q140-K213 HydrophobicContact CG-CB 3.8Å; Q140-K213 HydrophobicContact CG-CD 4.5Å; E191-K213 WeakPolarHBondContact OE1-CE 3.19Å; E191-K213 IonicContact OE1-NZ 2.78Å; E191-K213 PolarHBondContact OE1-NZ 2.89Å; I192-K213 WeakPolarHBondContact O-CG 3.29Å; E193-K213 WeakPolarHBondContact OE1-CD 3.16Å; E193-K213 WeakPolarHBondContact OE1-CE 3.34Å; E193-K213 IonicContact OE1-NZ 2.78Å; N211-K213 PolarHBondContact O-N 2.87Å
214L87.8Confident84.4Confident0 Ų057.5 Ų57.50%031%0.313CS..EExtended strand (participates in β ladder)trans-105.2138.3179.8-53.9-176.1000110.5L139 F145 I172 E191 I192 A197 Y198 I208 A212 F216L139-L214 HydrophobicContact CD2-CD2 3.77Å; F145-L214 HydrophobicContact CD1-CD2 4.46Å; F145-L214 HydrophobicContact CE1-CB 4.37Å; F145-L214 HydrophobicContact CE1-CD2 3.77Å; F145-L214 HydrophobicContact CE1-CG 4.5Å; F145-L214 HydrophobicContact CZ-CB 4.26Å; F145-L214 HydrophobicContact CZ-CD1 4.08Å; F145-L214 HydrophobicContact CZ-CD2 3.92Å; F145-L214 HydrophobicContact CZ-CG 4.32Å; I172-L214 HydrophobicContact CD1-CD1 4.5Å; E191-L214 CarbonylContact C-O 3.28Å; E191-L214 WeakPolarHBondContact CA-O 3.47Å; I192-L214 PolarHBondContact N-O 2.99Å; I192-L214 PolarHBondContact O-N 3.3Å; A197-L214 HydrophobicContact CB-CD1 3.64Å; A197-L214 HydrophobicContact CB-CG 4.17Å; Y198-L214 HydrophobicContact CD2-CD1 3.61Å; Y198-L214 HydrophobicContact CE2-CD1 3.52Å; I208-L214 HydrophobicContact CD1-CD1 4.46Å; I208-L214 HydrophobicContact CD1-CD2 4.13Å; I208-L214 HydrophobicContact CG2-CD2 3.78Å; A212-L214 HydrophobicContact CB-CD2 4.45Å; L214-F216 HydrophobicContact CB-CD2 4.01Å; L214-F216 HydrophobicContact CB-CE2 3.42Å; L214-F216 VanDerWaalsContact CB-CE2 3.42Å; L214-F216 HydrophobicContact CB-CZ 4.18Å; L214-F216 HydrophobicContact CD1-CE2 3.69Å; L214-F216 HydrophobicContact CD1-CZ 3.83Å; L214-F216 HydrophobicContact CG-CE2 4.23Å
215I89.2Confident84.8Confident14 Ų1455.2 Ų55.27%0.07230%0.295CS..EExtended strand (participates in β ladder)trans-118.1117.9178.3-55.3170.3000106.1G137 T138 R189 L190 E191G137-I215 CarbonylContact C-O 3.49Å; G137-I215 WeakPolarHBondContact CA-O 3.17Å; T138-I215 PolarHBondContact N-O 2.78Å; T138-I215 WeakPolarHBondContact O-CB 3.4Å; T138-I215 PolarHBondContact O-N 3.46Å; T138-I215 PolarHBondContact OG1-O 3.37Å; R189-I215 HydrophobicContact CG-CG2 4.09Å; L190-I215 CarbonylContact O-C 3.55Å; L190-I215 WeakPolarHBondContact O-CA 3.47Å; E191-I215 HydrophobicContact CG-CG1 4.27Å; E191-I215 HydrophobicContact CG-CG2 4.31Å
216F88.7Confident85.1Confident7 Ų750.2 Ų50.23%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-115.8131.4177.3-65.8-89.3000109.6Y135 T136 G137 F145 I172 W175 R189 L190 I192 L214 V218Y135-F216 HydrophobicContact CD2-CD1 4.14Å; Y135-F216 HydrophobicContact CD2-CE1 4.41Å; T136-F216 CarbonylContact O-C 3.43Å; T136-F216 VanDerWaalsContact O-CA 3.29Å; T136-F216 WeakPolarHBondContact O-CA 3.45Å; G137-F216 VanDerWaalsContact CA-CD1 3.44Å; F145-F216 AromaticContact CE2-CE1 3.83Å; F145-F216 HydrophobicContact CE2-CE1 3.83Å; F145-F216 AromaticContact CE2-CZ 3.87Å; F145-F216 HydrophobicContact CE2-CZ 3.87Å; F145-F216 HydrophobicContact CZ-CD1 4.3Å; F145-F216 AromaticContact CZ-CE1 3.48Å; F145-F216 HydrophobicContact CZ-CE1 3.48Å; F145-F216 VanDerWaalsContact CZ-CE1 3.48Å; F145-F216 HydrophobicContact CZ-CE2 4.11Å; F145-F216 AromaticContact CZ-CZ 3.39Å; F145-F216 HydrophobicContact CZ-CZ 3.39Å; I172-F216 HydrophobicContact CD1-CE2 4.02Å; I172-F216 HydrophobicContact CD1-CZ 4.4Å; W175-F216 AromaticContact CE2-CD1 3.93Å; W175-F216 AromaticContact CE2-CG 3.93Å; W175-F216 HydrophobicContact CZ2-CB 4.15Å; W175-F216 AromaticContact CZ2-CD1 3.6Å; W175-F216 HydrophobicContact CZ2-CD1 3.6Å; W175-F216 HydrophobicContact CZ2-CE1 4.06Å; W175-F216 AromaticContact CZ2-CG 3.95Å; W175-F216 HydrophobicContact CZ2-CG 3.95Å; W175-F216 AromaticContact NE1-CD1 3.65Å; W175-F216 AromaticContact NE1-CD2 3.27Å; W175-F216 VanDerWaalsContact NE1-CD2 3.27Å; W175-F216 AromaticContact NE1-CE1 3.87Å; W175-F216 AromaticContact NE1-CE2 3.5Å; W175-F216 AromaticContact NE1-CG 3.3Å; W175-F216 VanDerWaalsContact NE1-CG 3.3Å; W175-F216 AromaticContact NE1-CZ 3.77Å; R189-F216 CarbonylContact C-O 3.6Å; R189-F216 WeakPolarHBondContact CA-O 3.48Å; L190-F216 HydrophobicContact CB-CB 4.33Å; L190-F216 PolarHBondContact N-O 3.07Å; L190-F216 PolarHBondContact O-N 3.39Å; I192-F216 HydrophobicContact CD1-CD2 4.05Å; I192-F216 HydrophobicContact CD1-CE2 4.24Å; L214-F216 HydrophobicContact CB-CD2 4.01Å; L214-F216 HydrophobicContact CB-CE2 3.42Å; L214-F216 VanDerWaalsContact CB-CE2 3.42Å; L214-F216 HydrophobicContact CB-CZ 4.18Å; L214-F216 HydrophobicContact CD1-CE2 3.69Å; L214-F216 HydrophobicContact CD1-CZ 3.83Å; L214-F216 HydrophobicContact CG-CE2 4.23Å; F216-V218 HydrophobicContact CB-CG2 4.06Å
217E88.9Confident85.8Confident70 Ų7051.6 Ų51.633%0.32727%0.271SS..EExtended strand (participates in β ladder)trans-94.8123.5158.4-67.9-172.390.800107.6L116 Y135 T136 K187 A188 R189L116-E217 HydrophobicContact CD1-CG 4.22Å; L116-E217 WeakPolarHBondContact CD1-OE1 3.22Å; Y135-E217 CarbonylContact C-O 3.49Å; Y135-E217 WeakPolarHBondContact CA-O 3.21Å; Y135-E217 WeakPolarHBondContact CB-O 3.31Å; T136-E217 PolarHBondContact N-O 2.88Å; T136-E217 PolarHBondContact O-N 3.02Å; K187-E217 IonicContact NZ-OE1 2.82Å; K187-E217 PolarHBondContact NZ-OE1 3.5Å; A188-E217 CarbonylContact O-C 3.5Å; A188-E217 WeakPolarHBondContact O-CA 3.33Å; R189-E217 HydrophobicContact CG-CG 4.36Å
218V89.3Confident86Confident0 Ų043.8 Ų43.80%024%0.24CC..EExtended strand (participates in β ladder)trans-121.5137.9-180-170.20000109.4C133 W134 W175 L179 M182 K187 A188 L190 F216C133-V218 HydrophobicContact CB-CG1 3.81Å; W134-V218 CarbonylContact O-C 3.51Å; W134-V218 VanDerWaalsContact O-CA 3.28Å; W134-V218 WeakPolarHBondContact O-CA 3.41Å; W175-V218 HydrophobicContact CH2-CG1 4.42Å; W175-V218 HydrophobicContact CH2-CG2 3.89Å; W175-V218 HydrophobicContact CZ2-CG2 3.59Å; L179-V218 HydrophobicContact CD2-CG1 3.9Å; M182-V218 HydrophobicContact SD-CB 4.42Å; K187-V218 CarbonylContact C-O 3.56Å; K187-V218 VanDerWaalsContact CA-O 3.28Å; K187-V218 WeakPolarHBondContact CA-O 3.38Å; A188-V218 PolarHBondContact N-O 3.21Å; A188-V218 PolarHBondContact O-N 3.31Å; L190-V218 HydrophobicContact CD1-CG2 3.83Å; L190-V218 HydrophobicContact CG-CG2 4.31Å; F216-V218 HydrophobicContact CB-CG2 4.06Å
219E88.1Confident86.3Confident65 Ų6546.2 Ų46.230%0.30425%0.253SS..EExtended strand (participates in β ladder)trans-122116.2172-176.7177.177.600109.2C133 W134 E186 K187 V221C133-E219 CarbonylContact C-O 3.55Å; C133-E219 WeakPolarHBondContact CA-O 3.45Å; C133-E219 WeakPolarHBondContact CB-O 3.48Å; W134-E219 HydrophobicContact CB-CB 4.3Å; W134-E219 PolarHBondContact N-O 3.38Å; W134-E219 PolarHBondContact O-N 2.99Å; E186-E219 CarbonylContact O-C 3.51Å; E186-E219 WeakPolarHBondContact O-CA 3.48Å; K187-E219 HydrophobicContact CB-CB 4.33Å; K187-E219 HydrophobicContact CB-CG 4.33Å; K187-E219 HydrophobicContact CG-CB 4.14Å; E219-V221 PolarHBondContact O-N 3.28Å
220L87.7Confident86.7Confident0 Ų044.9 Ų44.90%024%0.242CC..EExtended strand (participates in β ladder)trans-79.8112.7177.8-160.674.1000108.8P125 V131 C133 L179 M182 S183 G185 E186 I223P125-L220 HydrophobicContact CG-CD2 4.46Å; V131-L220 HydrophobicContact CB-CD1 3.9Å; V131-L220 HydrophobicContact CG1-CD1 4.21Å; V131-L220 HydrophobicContact CG2-CD1 4.49Å; C133-L220 HydrophobicContact CB-CD1 4.29Å; L179-L220 HydrophobicContact CD2-CD1 4.22Å; M182-L220 HydrophobicContact CB-CD2 4.33Å; M182-L220 HydrophobicContact CE-CB 4.38Å; S183-L220 WeakPolarHBondContact O-CD2 3.42Å; G185-L220 WeakPolarHBondContact CA-O 3.36Å; G185-L220 PolarHBondContact N-O 3.19Å; E186-L220 PolarHBondContact O-N 3.44Å; L220-I223 HydrophobicContact CD2-CD1 3.74Å; L220-I223 HydrophobicContact CD2-CG1 3.83Å; L220-I223 HydrophobicContact CG-CG1 4.35Å
221V86.7Confident86.9Confident57 Ų5742.4 Ų42.435%0.34522%0.222SC..EExtended strand (participates in β ladder)trans-87.1-50.9-178.6-175.80000109.9H132 W134 P161 E219H132-V221 WeakPolarHBondContact O-CA 3.18Å; H132-V221 WeakPolarHBondContact O-CB 3.42Å; H132-V221 PolarHBondContact O-N 3.23Å; W134-V221 HydrophobicContact CG-CG2 4.24Å; P161-V221 HydrophobicContact CB-CG2 4.36Å; E219-V221 PolarHBondContact O-N 3.28Å
222D87.5Confident87.2Confident61 Ų6138.9 Ų38.933%0.32620%0.203SC..EExtended strand (participates in β ladder)trans-150.9163.4-174.4-137.5-63.1000112.2H132 K184H132-D222 HydrophobicContact CB-CB 4.07Å; H132-D222 PolarHBondContact N-O 3.3Å; H132-D222 PolarHBondContact O-N 3.03Å; K184-D222 WeakPolarHBondContact CE-OD2 3.44Å; K184-D222 IonicContact NZ-OD1 2.74Å; K184-D222 PolarHBondContact NZ-OD1 2.78Å; K184-D222 IonicContact NZ-OD2 3.33Å; K184-D222 PolarHBondContact NZ-OD2 3.21Å
223I88.3Confident87.7Confident27 Ų2741.3 Ų41.314%0.13821%0.212CC..EExtended strand (participates in β ladder)trans-140.3122.4179-50.1166.6000105.5N123 P125 D129 V130 V131 K184 L220N123-I223 HydrophobicContact CB-CD1 4.29Å; P125-I223 HydrophobicContact CB-CD1 4.02Å; P125-I223 HydrophobicContact CB-CG1 4.23Å; P125-I223 HydrophobicContact CB-CG2 3.9Å; P125-I223 HydrophobicContact CG-CD1 4.38Å; D129-I223 HydrophobicContact CB-CG2 4.06Å; V130-I223 WeakPolarHBondContact O-CA 3.33Å; V131-I223 HydrophobicContact CG1-CG1 4.45Å; V131-I223 HydrophobicContact CG1-CG2 4.41Å; K184-I223 HydrophobicContact CB-CD1 4.18Å; L220-I223 HydrophobicContact CD2-CD1 3.74Å; L220-I223 HydrophobicContact CD2-CG1 3.83Å; L220-I223 HydrophobicContact CG-CG1 4.35Å
224D84.9Confident87.9Confident161 Ų16142 Ų4286%0.86122%0.219SC*.  trans-82.10175.9-156.6-116000111.5V130V130-D224 HydrophobicContact CB-CB 3.96Å; V130-D224 PolarHBondContact O-N 3.06Å

Retrieved 224 of 224 residues in 646.2 ms (Link to these results)

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