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Phospholipid scramblase

May mediate accelerated ATP-independent bidirectional transbilayer migration of phospholipids upon binding calcium ions that results in a loss of phospholipid asymmetry in the plasma membrane.

AlphaFold DB , UniProt , Accession A0A087WPD9, Species MOUSE (Mus musculus, Mouse), Gene Plscr1l1, Length 156 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
1M87.7Confident93.2Very high52 Ų5288 Ų8826%0.25645%0.454SS..  0142.60169.8177.1-178.800107.1I3 L14 F137 W156M1-I3 HydrophobicContact CE-CG1 4.45Å; M1-L14 HydrophobicContact CB-CB 4.15Å; M1-L14 HydrophobicContact CB-CD1 4.14Å; M1-L14 HydrophobicContact CB-CG 4.37Å; M1-L14 HydrophobicContact CG-CD1 4.16Å; M1-L14 PolarHBondContact N-O 2.83Å; M1-L14 PolarHBondContact O-N 3.39Å; M1-L14 HydrophobicContact SD-CD1 3.78Å; M1-F137 HydrophobicContact CE-CD1 3.83Å; M1-F137 HydrophobicContact CE-CD2 4.22Å; M1-F137 HydrophobicContact CE-CE1 3.61Å; M1-F137 HydrophobicContact CE-CE2 4Å; M1-F137 HydrophobicContact CE-CG 4.14Å; M1-F137 HydrophobicContact CE-CZ 3.69Å; M1-F137 HydrophobicContact SD-CB 4.27Å; M1-F137 HydrophobicContact SD-CD1 4.01Å; M1-F137 HydrophobicContact SD-CD2 4.17Å; M1-F137 HydrophobicContact SD-CE1 4.39Å; M1-F137 HydrophobicContact SD-CG 3.89Å; M1-W156 HydrophobicContact CB-CB 3.76Å; M1-W156 HydrophobicContact CB-CD2 4.35Å; M1-W156 HydrophobicContact CB-CG 3.77Å; M1-W156 PolarHBondContact N-OXT 2.78Å
2R92.3Very high93.5Very high138 Ų13882.6 Ų82.652%0.52143%0.426SS..EExtended strand (participates in β ladder)trans-123.5133.6-176.7-56.7174.974.6-167.81109.1F4 E10R2-F4 HydrophobicContact CB-CD2 4.5Å; R2-F4 HydrophobicContact CB-CE2 3.59Å; R2-F4 HydrophobicContact CB-CZ 3.73Å; R2-E10 HydrophobicContact CB-CG 4.33Å; R2-E10 VanDerWaalsContact CG-OE1 3.26Å; R2-E10 WeakPolarHBondContact CG-OE1 3.25Å; R2-E10 IonicContact CZ-OE1 2.75Å; R2-E10 IonicContact CZ-OE2 3.14Å; R2-E10 IonicContact NE-OE1 3.06Å; R2-E10 PolarHBondContact NE-OE1 2.64Å; R2-E10 IonicContact NE-OE2 3.14Å; R2-E10 PolarHBondContact NE-OE2 2.94Å; R2-E10 IonicContact NH2-OE2 2.82Å; R2-E10 PolarHBondContact NH2-OE2 2.82Å
3I91.6Very high93.6Very high42 Ų4277.2 Ų77.222%0.21540%0.4CS..EExtended strand (participates in β ladder)trans-111.9131.7178.4-54.6-179.5000107.5M1 E10 V11 I12 F137M1-I3 HydrophobicContact CE-CG1 4.45Å; I3-E10 WeakPolarHBondContact O-CA 3.49Å; I3-V11 HydrophobicContact CB-CG2 4.24Å; I3-V11 HydrophobicContact CG2-CG2 3.9Å; I3-V11 VanDerWaalsContact O-CG2 3.3Å; I3-V11 WeakPolarHBondContact O-CG2 3.3Å; I3-V11 PolarHBondContact O-N 3.37Å; I3-I12 HydrophobicContact CB-CB 4.04Å; I3-I12 HydrophobicContact CD1-CB 4.05Å; I3-I12 HydrophobicContact CD1-CD1 4.31Å; I3-I12 HydrophobicContact CD1-CG2 4.19Å; I3-I12 HydrophobicContact CG1-CB 4.28Å; I3-I12 PolarHBondContact N-O 2.83Å; I3-I12 PolarHBondContact O-N 3.37Å; I3-F137 HydrophobicContact CD1-CE2 3.89Å
4F94.1Very high93.7Very high101 Ų10171.9 Ų71.944%0.44337%0.372SS..EExtended strand (participates in β ladder)trans-117149.3-176-59.1-92.6000111R2 G8 R9 E10R2-F4 HydrophobicContact CB-CD2 4.5Å; R2-F4 HydrophobicContact CB-CE2 3.59Å; R2-F4 HydrophobicContact CB-CZ 3.73Å; F4-G8 WeakPolarHBondContact CD1-O 3.47Å; F4-R9 CarbonylContact C-O 3.53Å; F4-R9 VanDerWaalsContact CA-O 3.25Å; F4-R9 WeakPolarHBondContact CA-O 3.25Å; F4-E10 HydrophobicContact CD1-CB 3.94Å; F4-E10 HydrophobicContact CE1-CB 3.79Å; F4-E10 HydrophobicContact CE1-CG 4.25Å
5D93.6Very high93.6Very high41 Ų4176.5 Ų76.522%0.21938%0.383CS..  trans-77.1174.4166.572.99.3000111.7S7 G8 R9 V11D5-S7 PolarHBondContact O-N 3.1Å; D5-S7 VanDerWaalsContact O-N 3.09Å; D5-S7 VanDerWaalsContact OD1-CA 3.31Å; D5-S7 WeakPolarHBondContact OD1-CA 3.33Å; D5-S7 WeakPolarHBondContact OD1-CB 3.31Å; D5-S7 PolarHBondContact OD1-N 2.98Å; D5-G8 PolarHBondContact O-N 2.93Å; D5-G8 PolarHBondContact OD1-N 3.09Å; D5-G8 VanDerWaalsContact OD1-N 3.1Å; D5-R9 PolarHBondContact N-O 3.39Å; D5-R9 PolarHBondContact OD1-N 2.87Å; D5-R9 IonicContact OD1-NE 3.3Å; D5-R9 IonicContact OD2-CZ 2.95Å; D5-R9 VanDerWaalsContact OD2-CZ 3.3Å; D5-R9 IonicContact OD2-NE 2.73Å; D5-R9 PolarHBondContact OD2-NE 2.92Å; D5-R9 IonicContact OD2-NH2 2.74Å; D5-R9 PolarHBondContact OD2-NH2 2.86Å; D5-V11 HydrophobicContact CB-CG1 3.91Å
6N93.8Very high93.2Very high180 Ų18073.9 Ų73.996%0.96337%0.367SS*.THydrogen-bonded Turntrans-64.9-12.1179.1-67.5-16.3000113.7
7S95.8Very high92.2Very high96 Ų9672.9 Ų72.967%0.67137%0.368SS*.THydrogen-bonded Turntrans-94.73.3175.5-55.80000112.3D5 R9D5-S7 PolarHBondContact O-N 3.1Å; D5-S7 VanDerWaalsContact O-N 3.09Å; D5-S7 VanDerWaalsContact OD1-CA 3.31Å; D5-S7 WeakPolarHBondContact OD1-CA 3.33Å; D5-S7 WeakPolarHBondContact OD1-CB 3.31Å; D5-S7 PolarHBondContact OD1-N 2.98Å; S7-R9 VanDerWaalsContact C-N 3.33Å
8G92.9Very high90.6Very high52 Ų5276.8 Ų76.854%0.53639%0.389SS..SBendtrans77.512.6-178.900000114.4F4 D5F4-G8 WeakPolarHBondContact CD1-O 3.47Å; D5-G8 PolarHBondContact O-N 2.93Å; D5-G8 PolarHBondContact OD1-N 3.09Å; D5-G8 VanDerWaalsContact OD1-N 3.1Å
9R94.6Very high89.2Confident165 Ų16576.8 Ų76.862%0.62338%0.383SS*.  trans-86.6134.2175.7-61-179.9-62.5178.91109.8F4 D5 S7 V11F4-R9 CarbonylContact C-O 3.53Å; F4-R9 VanDerWaalsContact CA-O 3.25Å; F4-R9 WeakPolarHBondContact CA-O 3.25Å; D5-R9 PolarHBondContact N-O 3.39Å; D5-R9 PolarHBondContact OD1-N 2.87Å; D5-R9 IonicContact OD1-NE 3.3Å; D5-R9 IonicContact OD2-CZ 2.95Å; D5-R9 VanDerWaalsContact OD2-CZ 3.3Å; D5-R9 IonicContact OD2-NE 2.73Å; D5-R9 PolarHBondContact OD2-NE 2.92Å; D5-R9 IonicContact OD2-NH2 2.74Å; D5-R9 PolarHBondContact OD2-NH2 2.86Å; S7-R9 VanDerWaalsContact C-N 3.33Å; R9-V11 PolarHBondContact O-N 3.02Å
10E94.4Very high87.4Confident44 Ų4477.1 Ų77.121%0.20639%0.392CS..EExtended strand (participates in β ladder)trans-70.3124.8176.8-169.9-177.5-172.300110.5R2 I3 F4 T13 P38R2-E10 HydrophobicContact CB-CG 4.33Å; R2-E10 VanDerWaalsContact CG-OE1 3.26Å; R2-E10 WeakPolarHBondContact CG-OE1 3.25Å; R2-E10 IonicContact CZ-OE1 2.75Å; R2-E10 IonicContact CZ-OE2 3.14Å; R2-E10 IonicContact NE-OE1 3.06Å; R2-E10 PolarHBondContact NE-OE1 2.64Å; R2-E10 IonicContact NE-OE2 3.14Å; R2-E10 PolarHBondContact NE-OE2 2.94Å; R2-E10 IonicContact NH2-OE2 2.82Å; R2-E10 PolarHBondContact NH2-OE2 2.82Å; I3-E10 WeakPolarHBondContact O-CA 3.49Å; F4-E10 HydrophobicContact CD1-CB 3.94Å; F4-E10 HydrophobicContact CE1-CB 3.79Å; F4-E10 HydrophobicContact CE1-CG 4.25Å; E10-T13 PolarHBondContact OE1-OG1 3Å; E10-P38 HydrophobicContact CB-CG 3.84Å; E10-P38 VanDerWaalsContact CD-CG 3.45Å; E10-P38 HydrophobicContact CG-CG 3.47Å; E10-P38 VanDerWaalsContact CG-CG 3.47Å
11V95Very high85.7Confident57 Ų5777.5 Ų77.535%0.34540%0.395SS..EExtended strand (participates in β ladder)trans-107.3-36.6-177.8-68.50000112.7I3 D5 R9I3-V11 HydrophobicContact CB-CG2 4.24Å; I3-V11 HydrophobicContact CG2-CG2 3.9Å; I3-V11 VanDerWaalsContact O-CG2 3.3Å; I3-V11 WeakPolarHBondContact O-CG2 3.3Å; I3-V11 PolarHBondContact O-N 3.37Å; D5-V11 HydrophobicContact CB-CG1 3.91Å; R9-V11 PolarHBondContact O-N 3.02Å
12I95.9Very high83.6Confident23 Ų2380.4 Ų80.412%0.11842%0.42CS..EExtended strand (participates in β ladder)trans-136133.3179.8-57.5173.5000109.2I3 L14 I34 Q35 A36 A130I3-I12 HydrophobicContact CB-CB 4.04Å; I3-I12 HydrophobicContact CD1-CB 4.05Å; I3-I12 HydrophobicContact CD1-CD1 4.31Å; I3-I12 HydrophobicContact CD1-CG2 4.19Å; I3-I12 HydrophobicContact CG1-CB 4.28Å; I3-I12 PolarHBondContact N-O 2.83Å; I3-I12 PolarHBondContact O-N 3.37Å; I12-L14 HydrophobicContact CG2-CD2 3.7Å; I12-L14 HydrophobicContact CG2-CG 4.45Å; I12-I34 HydrophobicContact CG2-CG2 3.92Å; I12-Q35 CarbonylContact C-O 3.58Å; I12-Q35 VanDerWaalsContact CA-O 3.25Å; I12-Q35 WeakPolarHBondContact CA-O 3.49Å; I12-Q35 WeakPolarHBondContact CG2-O 3.34Å; I12-A36 HydrophobicContact CG1-CB 4.12Å; I12-A130 HydrophobicContact CD1-CB 4.15Å
13T95.6Very high81.2Confident13 Ų1377 Ų778%0.0842%0.416CS..EExtended strand (participates in β ladder)trans-113.8120.3170-45.10000108.7E10 R15 Q35 P38E10-T13 PolarHBondContact OE1-OG1 3Å; T13-R15 HydrophobicContact CG2-CG 4.02Å; T13-Q35 PolarHBondContact N-O 2.85Å; T13-Q35 PolarHBondContact O-N 2.95Å; T13-P38 VanDerWaalsContact OG1-CB 3.32Å; T13-P38 WeakPolarHBondContact OG1-CB 3.48Å; T13-P38 WeakPolarHBondContact OG1-CG 3.49Å
14L94.5Very high78.9Confident3 Ų381.9 Ų81.92%0.01645%0.452CS..EExtended strand (participates in β ladder)trans-95.8123.7169.3-43.3177.1000107.9M1 I12 I32 E33 I34 F137M1-L14 HydrophobicContact CB-CB 4.15Å; M1-L14 HydrophobicContact CB-CD1 4.14Å; M1-L14 HydrophobicContact CB-CG 4.37Å; M1-L14 HydrophobicContact CG-CD1 4.16Å; M1-L14 PolarHBondContact N-O 2.83Å; M1-L14 PolarHBondContact O-N 3.39Å; M1-L14 HydrophobicContact SD-CD1 3.78Å; I12-L14 HydrophobicContact CG2-CD2 3.7Å; I12-L14 HydrophobicContact CG2-CG 4.45Å; L14-I32 HydrophobicContact CB-CD1 3.72Å; L14-I32 HydrophobicContact CB-CG1 4.12Å; L14-I32 HydrophobicContact CD1-CD1 4.27Å; L14-I32 HydrophobicContact CG-CD1 4.49Å; L14-E33 CarbonylContact C-O 3.54Å; L14-E33 WeakPolarHBondContact CA-O 3.32Å; L14-I34 HydrophobicContact CD2-CB 4.22Å; L14-I34 HydrophobicContact CD2-CG1 3.72Å; L14-I34 HydrophobicContact CD2-CG2 3.91Å; L14-F137 HydrophobicContact CD1-CB 4.03Å; L14-F137 HydrophobicContact CD1-CD2 3.61Å; L14-F137 HydrophobicContact CD1-CE2 4.45Å; L14-F137 HydrophobicContact CD1-CG 4.13Å
15R92.1Very high76.5Confident140 Ų14081 Ų8153%0.52846%0.458SS..EExtended strand (participates in β ladder)trans-115.6117.2179.1-72.9-171.5166.5-176.6-4.5110.3T13 E33T13-R15 HydrophobicContact CG2-CG 4.02Å; R15-E33 HydrophobicContact CB-CB 4.34Å; R15-E33 PolarHBondContact N-O 3.32Å; R15-E33 PolarHBondContact O-N 3.09Å
16R86.8Confident74.4Confident35 Ų3582.7 Ų82.713%0.13247%0.471CS..  trans-101118.6170.9-176168.5168.1-116.7-1109.3L18 Q30 F141 W156R16-L18 PolarHBondContact O-N 2.6Å; R16-Q30 VanDerWaalsContact NH2-CD 3.3Å; R16-F141 VanDerWaalsContact CZ-CE1 3.42Å; R16-W156 WeakPolarHBondContact CB-O 3.28Å; R16-W156 PolarHBondContact N-O 3.25Å
17P77Confident72.3Confident58 Ų5878.3 Ų78.338%0.37745%0.454SS..  trans-60.7137.4169.625.9-32.4000109.2R19 Q31P17-R19 PolarHBondContact O-N 2.99Å; P17-Q31 WeakPolarHBondContact CD-O 3.5Å; P17-Q31 HydrophobicContact CG-CB 4.48Å
18L62.9Low70.7Confident143 Ų14375 Ų7575%0.74943%0.43SS*.  trans-58.9114.8175-63.2174.2000108.6R16 F155R16-L18 PolarHBondContact O-N 2.6Å; L18-F155 HydrophobicContact CD2-CB 4.09Å; L18-F155 HydrophobicContact CD2-CD1 3.56Å; L18-F155 HydrophobicContact CD2-CE1 4.32Å; L18-F155 HydrophobicContact CD2-CG 4.08Å
19R63.8Low69.9Low76 Ų7675.2 Ų75.229%0.28742%0.419SS..  trans-119.5148.4174.2-67.7-172.7179.8170.93.8108.7P17 D21 L29 Q31P17-R19 PolarHBondContact O-N 2.99Å; R19-D21 PolarHBondContact O-N 3.02Å; R19-L29 WeakPolarHBondContact CD-O 3.02Å; R19-L29 PolarHBondContact NH1-O 3.37Å; R19-Q31 VanDerWaalsContact CZ-CB 3.49Å; R19-Q31 VanDerWaalsContact NH1-CB 3.25Å
20C53.9Low69.3Low82 Ų8268 Ų6855%0.55439%0.392SS*.  trans-62.7132.9-171.5-154.80000110.7C22 C28C20-C22 VanDerWaalsContact C-N 3.26Å; C20-C22 VanDerWaalsContact SG-CB 3.53Å; C20-C28 WeakPolarHBondContact O-CB 3.14Å; C20-C28 PolarHBondContact O-SG 3.23Å
21D51.4Low69.1Low87 Ų8768 Ų6847%0.46539%0.392SS..SBendtrans-84.5-2.1171.4-83.9-24.1000111.8R19 K153R19-D21 PolarHBondContact O-N 3.02Å; D21-K153 IonicContact OD1-NZ 3.21Å; D21-K153 PolarHBondContact OD1-NZ 3.4Å; D21-K153 VanDerWaalsContact OD1-NZ 3.14Å; D21-K153 IonicContact OD2-NZ 2.99Å; D21-K153 PolarHBondContact OD2-NZ 2.8Å
22C43.1Very low69Low113 Ų11365.8 Ų65.876%0.76438%0.378SS*.  trans-98.922.8-160.2-164.70000115.7C20C20-C22 VanDerWaalsContact C-N 3.26Å; C20-C22 VanDerWaalsContact SG-CB 3.53Å
23C41.8Very low69.1Low66 Ų6667.1 Ų67.145%0.44638%0.384SS..  trans-139.8125.7-178.2-140.80000115.1C25 C27C23-C25 PolarHBondContact O-N 2.95Å; C23-C25 VanDerWaalsContact O-N 3.08Å; C23-C27 WeakPolarHBondContact CB-SG 3.26Å
24C45Very low69.1Low144 Ų14466.5 Ų66.597%0.97338%0.38SS*.SBendtrans-74.223.2167.9-58.60000113.1
25C42Very low69.3Low84 Ų8466.6 Ų66.657%0.56838%0.38SS*.SBendtrans-132162.5-176.9-85.90000110.8C23 C27C23-C25 PolarHBondContact O-N 2.95Å; C23-C25 VanDerWaalsContact O-N 3.08Å; C25-C27 PolarHBondContact O-N 2.91Å
26P51.1Low69.4Low75 Ų7561.4 Ų61.449%0.48737%0.367SS..G310 helixtrans-59.82.4-171.1-23.134.3000117.4C28 W49P26-C28 PolarHBondContact O-N 3.14Å; P26-W49 VanDerWaalsContact CB-CD1 3.48Å; P26-W49 HydrophobicContact CB-CG 4.31Å
27C49.6Very low69.7Low89 Ų8963.6 Ų63.660%0.60139%0.386SS*.G310 helixtrans-78-2-163.456.60000114.8C23 C25C23-C27 WeakPolarHBondContact CB-SG 3.26Å; C25-C27 PolarHBondContact O-N 2.91Å
28C60.9Low70.5Confident25 Ų2563.2 Ų63.217%0.16938%0.384CS..G310 helixtrans-127.140.9-174.8-55.10000112.2C20 P26 Q30C20-C28 WeakPolarHBondContact O-CB 3.14Å; C20-C28 PolarHBondContact O-SG 3.23Å; P26-C28 PolarHBondContact O-N 3.14Å; C28-Q30 PolarHBondContact O-N 3.08Å; C28-Q30 PolarHBondContact O-NE2 3.37Å
29L75.6Confident72Confident58 Ų5859 Ų5930%0.30437%0.374SS..  trans-45.9135.8169.6-70176.7000108.9R19 Q47 W49R19-L29 WeakPolarHBondContact CD-O 3.02Å; R19-L29 PolarHBondContact NH1-O 3.37Å; L29-Q47 HydrophobicContact CB-CB 4.46Å; L29-Q47 HydrophobicContact CD2-CB 4.34Å; L29-Q47 HydrophobicContact CD2-CG 4.08Å; L29-W49 HydrophobicContact CD2-CB 4.09Å
30Q83.9Confident73.5Confident14 Ų1459 Ų597%0.06538%0.383CS..  trans-84.1150.7-179.1-62-57.4-43.100111.6R16 C28 Q47 L138 M142R16-Q30 VanDerWaalsContact NH2-CD 3.3Å; C28-Q30 PolarHBondContact O-N 3.08Å; C28-Q30 PolarHBondContact O-NE2 3.37Å; Q30-Q47 HydrophobicContact CB-CB 4.16Å; Q30-Q47 WeakPolarHBondContact O-CB 3.47Å; Q30-Q47 PolarHBondContact O-N 3.01Å; Q30-L138 HydrophobicContact CB-CD1 4.27Å; Q30-L138 HydrophobicContact CB-CD2 4.42Å; Q30-M142 HydrophobicContact CB-CE 4.18Å; Q30-M142 HydrophobicContact CB-SD 3.75Å; Q30-M142 HydrophobicContact CG-CE 3.6Å; Q30-M142 HydrophobicContact CG-CG 4.22Å; Q30-M142 HydrophobicContact CG-SD 3.59Å; Q30-M142 VanDerWaalsContact CG-SD 3.59Å
31Q89.4Confident75.5Confident43 Ų4357.4 Ų57.420%0.20137%0.371CS..EExtended strand (participates in β ladder)trans-143.6147170.6175.3173.1-0.200108.3P17 R19 V45 I46P17-Q31 WeakPolarHBondContact CD-O 3.5Å; P17-Q31 HydrophobicContact CG-CB 4.48Å; R19-Q31 VanDerWaalsContact CZ-CB 3.49Å; R19-Q31 VanDerWaalsContact NH1-CB 3.25Å; Q31-V45 CarbonylContact C-O 3.53Å; Q31-V45 VanDerWaalsContact CA-O 3.26Å; Q31-V45 WeakPolarHBondContact CA-O 3.46Å; Q31-I46 HydrophobicContact CG-CG1 4.01Å
32I93.6Very high77.7Confident11 Ų1153.5 Ų53.56%0.05635%0.35CS..EExtended strand (participates in β ladder)trans-136.1136.9170.5-166.4170.7000108.6L14 I34 Y44 V45 L138L14-I32 HydrophobicContact CB-CD1 3.72Å; L14-I32 HydrophobicContact CB-CG1 4.12Å; L14-I32 HydrophobicContact CD1-CD1 4.27Å; L14-I32 HydrophobicContact CG-CD1 4.49Å; I32-I34 HydrophobicContact CG2-CD1 3.97Å; I32-Y44 WeakPolarHBondContact O-CA 3.13Å; I32-V45 HydrophobicContact CG2-CB 3.72Å; I32-V45 HydrophobicContact CG2-CG2 4.24Å; I32-V45 PolarHBondContact N-O 3.43Å; I32-V45 PolarHBondContact O-N 2.97Å; I32-L138 HydrophobicContact CB-CD2 4.31Å; I32-L138 HydrophobicContact CD1-CB 4.4Å; I32-L138 HydrophobicContact CG2-CB 4.2Å; I32-L138 HydrophobicContact CG2-CD2 3.8Å; I32-L138 HydrophobicContact CG2-CG 4.49Å
33E96.1Very high80.3Confident51 Ų5148.1 Ų48.124%0.23831%0.314CS..EExtended strand (participates in β ladder)trans-99.6133.3171.6174.4179.2145.800108.6L14 R15 Q35 P41 Y44L14-E33 CarbonylContact C-O 3.54Å; L14-E33 WeakPolarHBondContact CA-O 3.32Å; R15-E33 HydrophobicContact CB-CB 4.34Å; R15-E33 PolarHBondContact N-O 3.32Å; R15-E33 PolarHBondContact O-N 3.09Å; E33-Q35 HydrophobicContact CG-CG 4.16Å; E33-Q35 PolarHBondContact OE1-NE2 3.16Å; E33-P41 HydrophobicContact CG-CB 4.27Å; E33-Y44 HydrophobicContact CB-CD1 3.82Å; E33-Y44 HydrophobicContact CB-CE1 3.81Å; E33-Y44 HydrophobicContact CG-CD1 3.96Å; E33-Y44 HydrophobicContact CG-CE1 3.51Å
34I97.2Very high83Confident0 Ų046 Ų460%030%0.297CS..EExtended strand (participates in β ladder)trans-109.8124.5178.7-6082.7000107.6I12 L14 I32 V42 G43 V45 A130 V131I12-I34 HydrophobicContact CG2-CG2 3.92Å; L14-I34 HydrophobicContact CD2-CB 4.22Å; L14-I34 HydrophobicContact CD2-CG1 3.72Å; L14-I34 HydrophobicContact CD2-CG2 3.91Å; I32-I34 HydrophobicContact CG2-CD1 3.97Å; I34-V42 HydrophobicContact CB-CG2 4.26Å; I34-V42 HydrophobicContact CG2-CG2 3.83Å; I34-V42 VanDerWaalsContact O-CG2 3.31Å; I34-V42 WeakPolarHBondContact O-CG2 3.35Å; I34-V42 PolarHBondContact O-N 3.48Å; I34-G43 PolarHBondContact N-O 2.84Å; I34-G43 PolarHBondContact O-N 2.93Å; I34-V45 HydrophobicContact CD1-CG2 4.04Å; I34-A130 HydrophobicContact CG2-CB 4.49Å; I34-V131 HydrophobicContact CB-CG2 4.31Å; I34-V131 HydrophobicContact CD1-CG1 3.99Å
35Q97.2Very high85.4Confident5 Ų539.1 Ų39.12%0.02325%0.251CS..EExtended strand (participates in β ladder)trans-116.2132.2179.1-54.2-178.3-17.400110.2I12 T13 E33 P37 V40I12-Q35 CarbonylContact C-O 3.58Å; I12-Q35 VanDerWaalsContact CA-O 3.25Å; I12-Q35 WeakPolarHBondContact CA-O 3.49Å; I12-Q35 WeakPolarHBondContact CG2-O 3.34Å; T13-Q35 PolarHBondContact N-O 2.85Å; T13-Q35 PolarHBondContact O-N 2.95Å; E33-Q35 HydrophobicContact CG-CG 4.16Å; E33-Q35 PolarHBondContact OE1-NE2 3.16Å; Q35-P37 CarbonylContact C-O 3.55Å; Q35-V40 CarbonylContact C-O 3.5Å; Q35-V40 WeakPolarHBondContact CA-O 3.21Å; Q35-V40 WeakPolarHBondContact CB-O 3.44Å
36A95.1Very high87.9Confident30 Ų3037 Ų3725%0.24823%0.233CC..SBendtrans-154.2109.1175.800000110.1I12 V40 V42I12-A36 HydrophobicContact CG1-CB 4.12Å; A36-V40 PolarHBondContact N-O 3.06Å; A36-V42 HydrophobicContact CB-CG1 4.06Å; A36-V42 HydrophobicContact CB-CG2 4.12Å; A36-V42 WeakPolarHBondContact O-CG1 3.49Å
37P94Very high89.8Confident81 Ų8135.2 Ų35.253%0.52622%0.218SC..SBendcis-66.5173.9-4.831.3-37.3000112.7Q35 G39 V40Q35-P37 CarbonylContact C-O 3.55Å; P37-G39 PolarHBondContact O-N 3.09Å; P37-V40 HydrophobicContact CG-CB 4.42Å; P37-V40 HydrophobicContact CG-CG2 4.07Å; P37-V40 PolarHBondContact O-N 3.41Å
38P93.6Very high91.6Very high51 Ų5133.2 Ų33.233%0.33120%0.203SC..THydrogen-bonded Turntrans-50.5130.8175.8-29.837.9000112.6E10 T13E10-P38 HydrophobicContact CB-CG 3.84Å; E10-P38 VanDerWaalsContact CD-CG 3.45Å; E10-P38 HydrophobicContact CG-CG 3.47Å; E10-P38 VanDerWaalsContact CG-CG 3.47Å; T13-P38 VanDerWaalsContact OG1-CB 3.32Å; T13-P38 WeakPolarHBondContact OG1-CB 3.48Å; T13-P38 WeakPolarHBondContact OG1-CG 3.49Å
39G93.2Very high92.5Very high54 Ų5439.5 Ų39.556%0.55722%0.224SC*.THydrogen-bonded Turntrans90.3-10.9-176.100000115.5P37P37-G39 PolarHBondContact O-N 3.09Å
40V95.9Very high92.7Very high76 Ų7639.6 Ų39.646%0.46122%0.222SC..  trans-111.2105.4177.7-176.90000109.7Q35 A36 P37 V42Q35-V40 CarbonylContact C-O 3.5Å; Q35-V40 WeakPolarHBondContact CA-O 3.21Å; Q35-V40 WeakPolarHBondContact CB-O 3.44Å; A36-V40 PolarHBondContact N-O 3.06Å; P37-V40 HydrophobicContact CG-CB 4.42Å; P37-V40 HydrophobicContact CG-CG2 4.07Å; P37-V40 PolarHBondContact O-N 3.41Å; V40-V42 PolarHBondContact O-N 3.46Å
41P96.6Very high92.1Very high48 Ų4843.1 Ų43.131%0.31225%0.247SC..EExtended strand (participates in β ladder)trans-67.5129.5179.127.5-32.6000110.8E33E33-P41 HydrophobicContact CG-CB 4.27Å
42V97.7Very high91.3Very high5 Ų544.8 Ų44.83%0.0326%0.262CS..EExtended strand (participates in β ladder)trans-109.4-15.3177.1-65.50000112.8I34 A36 V40 E61 K127 M128 V131I34-V42 HydrophobicContact CB-CG2 4.26Å; I34-V42 HydrophobicContact CG2-CG2 3.83Å; I34-V42 VanDerWaalsContact O-CG2 3.31Å; I34-V42 WeakPolarHBondContact O-CG2 3.35Å; I34-V42 PolarHBondContact O-N 3.48Å; A36-V42 HydrophobicContact CB-CG1 4.06Å; A36-V42 HydrophobicContact CB-CG2 4.12Å; A36-V42 WeakPolarHBondContact O-CG1 3.49Å; V40-V42 PolarHBondContact O-N 3.46Å; V42-E61 PolarHBondContact O-N 3.26Å; V42-K127 HydrophobicContact CB-CB 4.1Å; V42-K127 HydrophobicContact CB-CD 4.26Å; V42-K127 HydrophobicContact CB-CG 4.31Å; V42-K127 HydrophobicContact CG1-CD 4.21Å; V42-K127 HydrophobicContact CG1-CG 4.3Å; V42-M128 WeakPolarHBondContact O-CE 3.37Å; V42-V131 HydrophobicContact CG2-CG2 4.3Å
43G97.6Very high90.7Very high0 Ų049.3 Ų49.30%028%0.279CS..EExtended strand (participates in β ladder)trans168.5-176171.300000113.2I34 Q59I34-G43 PolarHBondContact N-O 2.84Å; I34-G43 PolarHBondContact O-N 2.93Å; G43-Q59 CarbonylContact C-O 3.55Å; G43-Q59 WeakPolarHBondContact CA-O 3.2Å
44Y97.2Very high90.3Very high21 Ų2147.6 Ų47.68%0.08227%0.272CS..EExtended strand (participates in β ladder)trans-139150.8-170.2-52.8-91.1000110.7I32 E33 Q59 K63I32-Y44 WeakPolarHBondContact O-CA 3.13Å; E33-Y44 HydrophobicContact CB-CD1 3.82Å; E33-Y44 HydrophobicContact CB-CE1 3.81Å; E33-Y44 HydrophobicContact CG-CD1 3.96Å; E33-Y44 HydrophobicContact CG-CE1 3.51Å; Y44-Q59 PolarHBondContact N-O 3.14Å; Y44-Q59 PolarHBondContact O-N 2.98Å; Y44-K63 HydrophobicContact CD2-CG 3.91Å; Y44-K63 HydrophobicContact CE2-CD 4.49Å; Y44-K63 HydrophobicContact CE2-CG 3.67Å
45V96.6Very high90.1Very high1 Ų149.1 Ų49.11%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-123.6124167.6-177.10000107.6Q31 I32 I34 F56 T57 V131 A135 L138Q31-V45 CarbonylContact C-O 3.53Å; Q31-V45 VanDerWaalsContact CA-O 3.26Å; Q31-V45 WeakPolarHBondContact CA-O 3.46Å; I32-V45 HydrophobicContact CG2-CB 3.72Å; I32-V45 HydrophobicContact CG2-CG2 4.24Å; I32-V45 PolarHBondContact N-O 3.43Å; I32-V45 PolarHBondContact O-N 2.97Å; I34-V45 HydrophobicContact CD1-CG2 4.04Å; V45-F56 HydrophobicContact CG1-CB 3.94Å; V45-F56 HydrophobicContact CG1-CD1 4.28Å; V45-F56 HydrophobicContact CG1-CG 4.43Å; V45-T57 WeakPolarHBondContact CA-O 3.35Å; V45-V131 HydrophobicContact CG2-CG1 3.64Å; V45-A135 HydrophobicContact CB-CB 4.46Å; V45-A135 HydrophobicContact CG1-CB 4.03Å; V45-A135 HydrophobicContact CG2-CB 3.76Å; V45-L138 HydrophobicContact CG1-CD2 4.29Å
46I93.4Very high90Very high40 Ų4048.9 Ų48.921%0.20528%0.277CS..EExtended strand (participates in β ladder)trans-121.4125.9-175.1-56.6179.2000108.4Q31 T48 F56 T57Q31-I46 HydrophobicContact CG-CG1 4.01Å; I46-T48 PolarHBondContact O-N 3.32Å; I46-F56 CarbonylContact O-C 3.59Å; I46-F56 WeakPolarHBondContact O-CA 3.48Å; I46-T57 PolarHBondContact N-O 2.88Å; I46-T57 PolarHBondContact O-N 2.89Å
47Q90.5Very high90.1Very high36 Ų3648 Ų4817%0.16827%0.269CS..EExtended strand (participates in β ladder)trans-69.5129.1169.4-169.3-175.912.400109.4L29 Q30 K55 F56L29-Q47 HydrophobicContact CB-CB 4.46Å; L29-Q47 HydrophobicContact CD2-CB 4.34Å; L29-Q47 HydrophobicContact CD2-CG 4.08Å; Q30-Q47 HydrophobicContact CB-CB 4.16Å; Q30-Q47 WeakPolarHBondContact O-CB 3.47Å; Q30-Q47 PolarHBondContact O-N 3.01Å; Q47-K55 CarbonylContact C-O 3.56Å; Q47-K55 WeakPolarHBondContact CA-O 2.99Å; Q47-K55 WeakPolarHBondContact CG-O 3.39Å; Q47-F56 HydrophobicContact CB-CD1 3.8Å; Q47-F56 HydrophobicContact CB-CE1 3.81Å; Q47-F56 HydrophobicContact CG-CD1 4.1Å; Q47-F56 HydrophobicContact CG-CE1 3.84Å; Q47-F56 HydrophobicContact CG-CZ 4.42Å
48T87.3Confident90.2Very high47 Ų4744.1 Ų44.129%0.28824%0.244SC..EExtended strand (participates in β ladder)trans-102.2142.6172.848.10000109.8I46 H50 K55 T57I46-T48 PolarHBondContact O-N 3.32Å; T48-H50 PolarHBondContact O-N 3.48Å; T48-K55 PolarHBondContact N-O 3.27Å; T48-K55 WeakPolarHBondContact OG1-CB 3.13Å; T48-K55 PolarHBondContact OG1-O 2.72Å; T48-T57 VanDerWaalsContact CG2-OG1 3.31Å; T48-T57 WeakPolarHBondContact CG2-OG1 3.21Å
49W81.4Confident90.4Very high157 Ų15742.9 Ų42.960%0.59523%0.233SC*.PPolyproline II helixtrans-70.2134.8179.8-17581.3000110.5P26 L29 P51P26-W49 VanDerWaalsContact CB-CD1 3.48Å; P26-W49 HydrophobicContact CB-CG 4.31Å; L29-W49 HydrophobicContact CD2-CB 4.09Å; W49-P51 HydrophobicContact CH2-CB 3.96Å; W49-P51 HydrophobicContact CH2-CG 4.47Å; W49-P51 HydrophobicContact CZ2-CB 4.36Å
50H78.1Confident90.6Very high60 Ų6041.7 Ų41.728%0.27821%0.214SC..  trans-150.8140.1173.7-175.7-86.7000109T48 C52 R53 K55T48-H50 PolarHBondContact O-N 3.48Å; H50-C52 VanDerWaalsContact C-N 3.3Å; H50-C52 PolarHBondContact ND1-N 3.43Å; H50-C52 PolarHBondContact O-N 2.94Å; H50-R53 WeakPolarHBondContact CB-O 3.46Å; H50-R53 PolarHBondContact ND1-N 2.81Å; H50-K55 HydrophobicContact CB-CB 4.46Å; H50-K55 HydrophobicContact CB-CD 4.05Å; H50-K55 HydrophobicContact CB-CG 4Å; H50-K55 WeakPolarHBondContact CD2-CE 3.46Å
51P71.6Confident90.6Very high88 Ų8842 Ų4257%0.57121%0.211SC*.SBendtrans-66.4-27.8-167.723.1-35000114.3W49W49-P51 HydrophobicContact CH2-CB 3.96Å; W49-P51 HydrophobicContact CH2-CG 4.47Å; W49-P51 HydrophobicContact CZ2-CB 4.36Å
52C72.8Confident90.6Very high79 Ų7946 Ų4653%0.53423%0.225SC..SBendtrans-133.4-2-169.6-53.50000115.1H50 I73H50-C52 VanDerWaalsContact C-N 3.3Å; H50-C52 PolarHBondContact ND1-N 3.43Å; H50-C52 PolarHBondContact O-N 2.94Å; C52-I73 HydrophobicContact CB-CG2 4.48Å; C52-I73 CarbonylContact O-C 3.47Å; C52-I73 WeakPolarHBondContact O-CA 3.24Å
53R82.4Confident90.6Very high106 Ų10651.7 Ų51.740%0.425%0.25SC..SBendtrans-148.7147.8-175.9-36.6-160.7-173.9-172.3-5.7109.9H50 K55 I73H50-R53 WeakPolarHBondContact CB-O 3.46Å; H50-R53 PolarHBondContact ND1-N 2.81Å; R53-K55 PolarHBondContact O-N 2.72Å; R53-I73 HydrophobicContact CG-CG1 4.15Å; R53-I73 VanDerWaalsContact NH2-CG1 3.33Å
54P87.3Confident90.5Very high14 Ų1456.6 Ų56.69%0.09127%0.272CS..  trans-71.8128.9170.131.4-32.7000109.8F56 G71 P72 F84 F143P54-F56 HydrophobicContact CB-CE2 4.03Å; P54-F56 HydrophobicContact CB-CZ 4.45Å; P54-G71 PolarHBondContact O-N 2.67Å; P54-P72 WeakPolarHBondContact CD-O 3.04Å; P54-F84 HydrophobicContact CB-CE1 4.5Å; P54-F84 HydrophobicContact CG-CE1 3.84Å; P54-F143 HydrophobicContact CB-CE1 4.45Å; P54-F143 HydrophobicContact CB-CE2 4.14Å; P54-F143 HydrophobicContact CB-CZ 3.56Å; P54-F143 HydrophobicContact CG-CE1 4.49Å; P54-F143 HydrophobicContact CG-CE2 4.39Å; P54-F143 HydrophobicContact CG-CZ 3.88Å
55K92Very high90.5Very high32 Ų3259.2 Ų59.214%0.13929%0.288CS..EExtended strand (participates in β ladder)trans-123.3142.1173.2-70.1-164.5175.9-168.40109.6Q47 T48 H50 R53 I69 I70 E91Q47-K55 CarbonylContact C-O 3.56Å; Q47-K55 WeakPolarHBondContact CA-O 2.99Å; Q47-K55 WeakPolarHBondContact CG-O 3.39Å; T48-K55 PolarHBondContact N-O 3.27Å; T48-K55 WeakPolarHBondContact OG1-CB 3.13Å; T48-K55 PolarHBondContact OG1-O 2.72Å; H50-K55 HydrophobicContact CB-CB 4.46Å; H50-K55 HydrophobicContact CB-CD 4.05Å; H50-K55 HydrophobicContact CB-CG 4Å; H50-K55 WeakPolarHBondContact CD2-CE 3.46Å; R53-K55 PolarHBondContact O-N 2.72Å; K55-I69 CarbonylContact C-O 3.57Å; K55-I69 WeakPolarHBondContact CA-O 3.48Å; K55-I70 HydrophobicContact CG-CG2 4.42Å; K55-E91 IonicContact NZ-OE1 3.02Å; K55-E91 PolarHBondContact NZ-OE1 3.24Å; K55-E91 IonicContact NZ-OE2 3.4Å; K55-E91 PolarHBondContact NZ-OE2 3.18Å
56F95.1Very high90.5Very high1 Ų161.3 Ų61.30%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-132.8146.4173.8-51.3-95.8000110V45 I46 Q47 P54 K68 I69 F84 L138 I139 M142 F143V45-F56 HydrophobicContact CG1-CB 3.94Å; V45-F56 HydrophobicContact CG1-CD1 4.28Å; V45-F56 HydrophobicContact CG1-CG 4.43Å; I46-F56 CarbonylContact O-C 3.59Å; I46-F56 WeakPolarHBondContact O-CA 3.48Å; Q47-F56 HydrophobicContact CB-CD1 3.8Å; Q47-F56 HydrophobicContact CB-CE1 3.81Å; Q47-F56 HydrophobicContact CG-CD1 4.1Å; Q47-F56 HydrophobicContact CG-CE1 3.84Å; Q47-F56 HydrophobicContact CG-CZ 4.42Å; P54-F56 HydrophobicContact CB-CE2 4.03Å; P54-F56 HydrophobicContact CB-CZ 4.45Å; F56-K68 CarbonylContact O-C 3.47Å; F56-K68 WeakPolarHBondContact O-CA 3.36Å; F56-I69 HydrophobicContact CB-CB 4.17Å; F56-I69 HydrophobicContact CD2-CB 4.39Å; F56-I69 HydrophobicContact CD2-CG2 4.49Å; F56-I69 PolarHBondContact N-O 2.84Å; F56-I69 PolarHBondContact O-N 3.24Å; F56-F84 HydrophobicContact CE2-CE1 4.31Å; F56-L138 HydrophobicContact CD1-CD2 4.31Å; F56-L138 HydrophobicContact CE1-CD2 4.16Å; F56-I139 HydrophobicContact CE2-CD1 4.43Å; F56-I139 HydrophobicContact CE2-CG1 3.98Å; F56-I139 HydrophobicContact CZ-CG1 4.19Å; F56-M142 HydrophobicContact CE1-CE 4.22Å; F56-M142 HydrophobicContact CE1-SD 3.7Å; F56-M142 HydrophobicContact CZ-CE 4.15Å; F56-M142 HydrophobicContact CZ-SD 3.87Å; F56-F143 HydrophobicContact CE2-CE2 4.42Å; F56-F143 HydrophobicContact CZ-CE2 4.09Å
57T96.8Very high90.7Very high11 Ų1160.1 Ų60.17%0.06730%0.295CS..EExtended strand (participates in β ladder)trans-109.1130.3172.3-59.90000108.4V45 I46 T48 Q59 D65V45-T57 WeakPolarHBondContact CA-O 3.35Å; I46-T57 PolarHBondContact N-O 2.88Å; I46-T57 PolarHBondContact O-N 2.89Å; T48-T57 VanDerWaalsContact CG2-OG1 3.31Å; T48-T57 WeakPolarHBondContact CG2-OG1 3.21Å; T57-Q59 HydrophobicContact CG2-CG 4.12Å; T57-D65 HydrophobicContact CG2-CB 3.93Å; T57-D65 VanDerWaalsContact CG2-OD1 3.31Å; T57-D65 WeakPolarHBondContact CG2-OD1 3.11Å
58V97.3Very high91Very high0 Ų060.5 Ų60.50%030%0.296CS..EExtended strand (participates in β ladder)trans-97.4124.7176.1178.90000107.7V66 L67 I69 M128 V131 M132V58-V66 PolarHBondContact O-N 3.13Å; V58-L67 HydrophobicContact CB-CB 4.08Å; V58-L67 WeakPolarHBondContact CB-O 3.44Å; V58-L67 HydrophobicContact CG2-CB 4.32Å; V58-L67 PolarHBondContact N-O 2.83Å; V58-L67 PolarHBondContact O-N 3.44Å; V58-I69 HydrophobicContact CG2-CD1 3.69Å; V58-I69 HydrophobicContact CG2-CG1 3.89Å; V58-M128 HydrophobicContact CG1-SD 4.39Å; V58-V131 HydrophobicContact CG1-CB 4.5Å; V58-V131 HydrophobicContact CG1-CG1 3.68Å; V58-M132 HydrophobicContact CB-SD 4.47Å; V58-M132 HydrophobicContact CG1-SD 4.04Å; V58-M132 HydrophobicContact CG2-SD 3.74Å
59Q97.9Very high91.4Very high24 Ų2458.2 Ų58.211%0.11228%0.282CS..EExtended strand (participates in β ladder)trans-120.7148.5-178.1-55.8-172.4-42.900111.8G43 Y44 T57 K63 Q64 D65G43-Q59 CarbonylContact C-O 3.55Å; G43-Q59 WeakPolarHBondContact CA-O 3.2Å; Y44-Q59 PolarHBondContact N-O 3.14Å; Y44-Q59 PolarHBondContact O-N 2.98Å; T57-Q59 HydrophobicContact CG2-CG 4.12Å; Q59-K63 PolarHBondContact NE2-O 3.3Å; Q59-Q64 CarbonylContact C-O 3.58Å; Q59-Q64 WeakPolarHBondContact CA-O 3.12Å; Q59-D65 WeakPolarHBondContact CG-OD1 3.48Å; Q59-D65 PolarHBondContact NE2-OD1 3.4Å
60N97.2Very high92Very high29 Ų2951.3 Ų51.316%0.15526%0.256CS..EExtended strand (participates in β ladder)trans-77.6-178172.269.59.6000112.6E62 K63 Q64 V66 M128N60-E62 PolarHBondContact O-N 3.37Å; N60-E62 WeakPolarHBondContact OD1-CA 3.47Å; N60-E62 WeakPolarHBondContact OD1-CB 3.04Å; N60-E62 PolarHBondContact OD1-N 2.99Å; N60-K63 PolarHBondContact O-N 3.11Å; N60-K63 PolarHBondContact OD1-N 3.37Å; N60-Q64 PolarHBondContact N-O 3.13Å; N60-Q64 PolarHBondContact ND2-OE1 2.91Å; N60-Q64 WeakPolarHBondContact OD1-CB 3.41Å; N60-Q64 PolarHBondContact OD1-N 2.79Å; N60-Q64 PolarHBondContact OD1-O 2.73Å; N60-V66 HydrophobicContact CB-CG2 3.88Å; N60-M128 HydrophobicContact CB-CE 3.96Å; N60-M128 HydrophobicContact CB-SD 4.26Å
61E96.4Very high92.5Very high83 Ų8348.6 Ų48.639%0.38825%0.245SC..THydrogen-bonded Turntrans-55.6-30.8175.561.1-142.6-122.700114.1V42 K63 K127V42-E61 PolarHBondContact O-N 3.26Å; E61-K63 PolarHBondContact O-N 2.94Å; E61-K127 IonicContact OE1-NZ 2.92Å; E61-K127 PolarHBondContact OE1-NZ 3.02Å; E61-K127 WeakPolarHBondContact OE2-CD 3.49Å; E61-K127 WeakPolarHBondContact OE2-CE 3.43Å; E61-K127 IonicContact OE2-NZ 3.99Å; E61-K127 PolarHBondContact OE2-NZ 2.93Å
62E96.6Very high93.1Very high132 Ų13246.3 Ų46.362%0.61723%0.23SC*.THydrogen-bonded Turntrans-84.44.6177.1-58.6-173.617000113.1N60 Q64N60-E62 PolarHBondContact O-N 3.37Å; N60-E62 WeakPolarHBondContact OD1-CA 3.47Å; N60-E62 WeakPolarHBondContact OD1-CB 3.04Å; N60-E62 PolarHBondContact OD1-N 2.99Å; E62-Q64 HydrophobicContact CB-CG 4.15Å; E62-Q64 PolarHBondContact O-N 2.74Å; E62-Q64 VanDerWaalsContact OE2-CD 3.32Å; E62-Q64 PolarHBondContact OE2-NE2 3.14Å; E62-Q64 PolarHBondContact OE2-OE1 2.81Å
63K96.3Very high93Very high125 Ų12547.8 Ų47.854%0.54323%0.231SC..  trans60.925.4-173.9-54.5-178.5178.2179.30114Y44 Q59 N60 E61Y44-K63 HydrophobicContact CD2-CG 3.91Å; Y44-K63 HydrophobicContact CE2-CD 4.49Å; Y44-K63 HydrophobicContact CE2-CG 3.67Å; Q59-K63 PolarHBondContact NE2-O 3.3Å; N60-K63 PolarHBondContact O-N 3.11Å; N60-K63 PolarHBondContact OD1-N 3.37Å; E61-K63 PolarHBondContact O-N 2.94Å
64Q97.3Very high92.2Very high102 Ų10246.2 Ų46.248%0.47724%0.236SC..  trans-83.8137.1170.2-61.5163.1-16.200109.2Q59 N60 E62 V66Q59-Q64 CarbonylContact C-O 3.58Å; Q59-Q64 WeakPolarHBondContact CA-O 3.12Å; N60-Q64 PolarHBondContact N-O 3.13Å; N60-Q64 PolarHBondContact ND2-OE1 2.91Å; N60-Q64 WeakPolarHBondContact OD1-CB 3.41Å; N60-Q64 PolarHBondContact OD1-N 2.79Å; N60-Q64 PolarHBondContact OD1-O 2.73Å; E62-Q64 HydrophobicContact CB-CG 4.15Å; E62-Q64 PolarHBondContact O-N 2.74Å; E62-Q64 VanDerWaalsContact OE2-CD 3.32Å; E62-Q64 PolarHBondContact OE2-NE2 3.14Å; E62-Q64 PolarHBondContact OE2-OE1 2.81Å; Q64-V66 PolarHBondContact O-N 2.98Å
65D97.4Very high90.7Very high76 Ų7648.1 Ų48.141%0.40625%0.247SC..EExtended strand (participates in β ladder)trans-67.2131.8177.4-64.3-3000109.9T57 Q59 L89T57-D65 HydrophobicContact CG2-CB 3.93Å; T57-D65 VanDerWaalsContact CG2-OD1 3.31Å; T57-D65 WeakPolarHBondContact CG2-OD1 3.11Å; Q59-D65 WeakPolarHBondContact CG-OD1 3.48Å; Q59-D65 PolarHBondContact NE2-OD1 3.4Å; D65-L89 HydrophobicContact CB-CD1 4.49Å; D65-L89 HydrophobicContact CB-CD2 3.65Å; D65-L89 WeakPolarHBondContact O-CD1 3.37Å
66V96.4Very high88.6Confident46 Ų4649.7 Ų49.728%0.27926%0.262SS..EExtended strand (participates in β ladder)trans-115.6-45.7-179.7-171.80000111.2V58 N60 Q64 L89 M128V58-V66 PolarHBondContact O-N 3.13Å; N60-V66 HydrophobicContact CB-CG2 3.88Å; Q64-V66 PolarHBondContact O-N 2.98Å; V66-L89 VanDerWaalsContact C-CD2 3.49Å; V66-M128 HydrophobicContact CB-SD 4.48Å; V66-M128 HydrophobicContact CG1-CG 4.43Å; V66-M128 HydrophobicContact CG2-SD 4.07Å
67L96.8Very high86.4Confident14 Ų1456.3 Ų56.37%0.07330%0.297CS..EExtended strand (participates in β ladder)trans-144.4163.8-177.4-67169.5000110.7V58 I86 K87 V95 L124 M132V58-L67 HydrophobicContact CB-CB 4.08Å; V58-L67 WeakPolarHBondContact CB-O 3.44Å; V58-L67 HydrophobicContact CG2-CB 4.32Å; V58-L67 PolarHBondContact N-O 2.83Å; V58-L67 PolarHBondContact O-N 3.44Å; L67-I86 HydrophobicContact CB-CG2 4.24Å; L67-I86 HydrophobicContact CD1-CG2 3.86Å; L67-I86 HydrophobicContact CD2-CG2 4.44Å; L67-I86 HydrophobicContact CG-CG2 4.41Å; L67-K87 WeakPolarHBondContact CD2-O 3.48Å; L67-V95 HydrophobicContact CD2-CG2 3.79Å; L67-L124 HydrophobicContact CD1-CD1 3.97Å; L67-L124 HydrophobicContact CD1-CD2 4.37Å; L67-M132 HydrophobicContact CD1-SD 4.4Å
68K96.6Very high83.9Confident44 Ų4462.9 Ų62.919%0.19133%0.33CS..EExtended strand (participates in β ladder)trans-118147.4170.4-71.9177.3172.6174.90110.5F56 I86 K87 L89 E91F56-K68 CarbonylContact O-C 3.47Å; F56-K68 WeakPolarHBondContact O-CA 3.36Å; K68-I86 CarbonylContact O-C 3.59Å; K68-I86 WeakPolarHBondContact O-CA 3.31Å; K68-K87 PolarHBondContact N-O 3.35Å; K68-K87 PolarHBondContact O-N 2.9Å; K68-L89 WeakPolarHBondContact CE-O 3.39Å; K68-L89 PolarHBondContact NZ-O 3.49Å; K68-E91 HydrophobicContact CD-CG 3.44Å; K68-E91 VanDerWaalsContact CD-CG 3.44Å; K68-E91 WeakPolarHBondContact CD-OE1 3.37Å; K68-E91 IonicContact NZ-OE1 2.8Å; K68-E91 PolarHBondContact NZ-OE1 2.71Å
69I95.8Very high81.6Confident0 Ų066.3 Ų66.30%037%0.365CS..EExtended strand (participates in β ladder)trans-118.8124173.3-52.7170.1000107.6K55 F56 V58 F84 E85 I86 I98 M132 A135 I139K55-I69 CarbonylContact C-O 3.57Å; K55-I69 WeakPolarHBondContact CA-O 3.48Å; F56-I69 HydrophobicContact CB-CB 4.17Å; F56-I69 HydrophobicContact CD2-CB 4.39Å; F56-I69 HydrophobicContact CD2-CG2 4.49Å; F56-I69 PolarHBondContact N-O 2.84Å; F56-I69 PolarHBondContact O-N 3.24Å; V58-I69 HydrophobicContact CG2-CD1 3.69Å; V58-I69 HydrophobicContact CG2-CG1 3.89Å; I69-F84 HydrophobicContact CG2-CB 3.82Å; I69-F84 HydrophobicContact CG2-CD1 4.31Å; I69-E85 CarbonylContact C-O 3.59Å; I69-E85 VanDerWaalsContact CA-O 3.3Å; I69-E85 WeakPolarHBondContact CA-O 3.41Å; I69-I86 HydrophobicContact CG1-CG1 4.38Å; I69-I98 HydrophobicContact CD1-CD1 4.1Å; I69-I98 HydrophobicContact CG2-CD1 4.46Å; I69-M132 HydrophobicContact CD1-CE 3.77Å; I69-M132 HydrophobicContact CD1-SD 4.37Å; I69-M132 HydrophobicContact CG1-CE 4.18Å; I69-A135 HydrophobicContact CD1-CB 3.48Å; I69-A135 VanDerWaalsContact CD1-CB 3.48Å; I69-I139 HydrophobicContact CG2-CD1 4.1Å
70I93.7Very high79.7Confident11 Ų1166.7 Ų66.76%0.05638%0.376CS..EExtended strand (participates in β ladder)trans-122.8118.5-175.4-51.3-176.7000108.8K55 F84 E85 K87 E91K55-I70 HydrophobicContact CG-CG2 4.42Å; I70-F84 CarbonylContact O-C 3.55Å; I70-F84 WeakPolarHBondContact O-CA 3.5Å; I70-E85 PolarHBondContact N-O 2.88Å; I70-E85 PolarHBondContact O-N 2.87Å; I70-K87 HydrophobicContact CD1-CD 3.78Å; I70-K87 HydrophobicContact CD1-CG 4.31Å; I70-E91 HydrophobicContact CD1-CB 4.28Å; I70-E91 HydrophobicContact CD1-CG 4.03Å; I70-E91 WeakPolarHBondContact CD1-OE2 3.31Å
71G89.4Confident78.1Confident3 Ų367.8 Ų67.83%0.03139%0.386CS..  trans-88.6177.4174.500000113.8P54P54-G71 PolarHBondContact O-N 2.67Å
72P84.4Confident77.2Confident41 Ų4164.9 Ų64.927%0.26637%0.373SS..  trans-68.6161.2-178.629.2-35.2000112.7P54 C74 I82P54-P72 WeakPolarHBondContact CD-O 3.04Å; P72-C74 PolarHBondContact O-N 2.78Å; P72-I82 HydrophobicContact CG-CG2 4.14Å
73I70.8Confident76.7Confident109 Ų10961.2 Ų61.256%0.55936%0.358SS*.SBendtrans-61.2-33.6178-60.8164.7000112.3C52 R53C52-I73 HydrophobicContact CB-CG2 4.48Å; C52-I73 CarbonylContact O-C 3.47Å; C52-I73 WeakPolarHBondContact O-CA 3.24Å; R53-I73 HydrophobicContact CG-CG1 4.15Å; R53-I73 VanDerWaalsContact NH2-CG1 3.33Å
74C64.2Low76.5Confident74 Ų7455.4 Ų55.450%0.533%0.332SS..  trans-140120.8178.8-160.30000107.9P72 C76P72-C74 PolarHBondContact O-N 2.78Å; C74-C76 HydrophobicContact CB-CB 4.37Å; C74-C76 WeakPolarHBondContact CB-SG 3.2Å; C74-C76 PolarHBondContact O-N 2.83Å; C74-C76 WeakPolarHBondContact SG-CB 3.22Å; C74-C76 CovalentContact SG-SG 2.04Å; C74-C76 PolarHBondContact SG-SG 3.46Å
75V56.7Low76.3Confident53 Ų5354.5 Ų54.532%0.32133%0.328SS..  trans-77.38.2169-128.30000110.9N77 I82 F143V75-N77 PolarHBondContact O-N 3.02Å; V75-I82 HydrophobicContact CG1-CD1 4.27Å; V75-I82 HydrophobicContact CG1-CG2 4.5Å; V75-F143 HydrophobicContact CB-CD1 4.47Å; V75-F143 HydrophobicContact CG1-CD1 4.1Å; V75-F143 HydrophobicContact CG1-CG 4.45Å; V75-F143 HydrophobicContact CG2-CD1 3.97Å; V75-F143 HydrophobicContact CG2-CE1 3.95Å
76C48.3Very low76.2Confident66 Ų6650.9 Ų50.945%0.44631%0.309SS..  trans-62.1132.5179.643.40000110.1C74 I78C74-C76 HydrophobicContact CB-CB 4.37Å; C74-C76 WeakPolarHBondContact CB-SG 3.2Å; C74-C76 PolarHBondContact O-N 2.83Å; C74-C76 WeakPolarHBondContact SG-CB 3.22Å; C74-C76 CovalentContact SG-SG 2.04Å; C74-C76 PolarHBondContact SG-SG 3.46Å; C76-I78 PolarHBondContact O-N 3.3Å
77N47.4Very low76.2Confident139 Ų13950.5 Ų50.574%0.74330%0.303SS*.  trans-67.160-163.2-153.114.9000113.4V75 G79V75-N77 PolarHBondContact O-N 3.02Å; N77-G79 PolarHBondContact O-N 2.87Å
78I45.4Very low76.1Confident149 Ų14950.9 Ų50.976%0.76431%0.307SS*.  trans-8991.9174.3-54171.6000105.1C76 G80C76-I78 PolarHBondContact O-N 3.3Å; I78-G80 PolarHBondContact O-N 3.07Å
79G49.3Very low76Confident72 Ų7252.5 Ų52.574%0.74232%0.317SS*.SBendtrans-32.4114.5-169.300000114.9N77N77-G79 PolarHBondContact O-N 2.87Å
80G56.8Low76Confident33 Ų3356.8 Ų56.834%0.3434%0.34SS..SBendtrans173175.9-176.600000112.9I78I78-G80 PolarHBondContact O-N 3.07Å
81S63.3Low76Confident51 Ų5159.1 Ų59.136%0.35735%0.351SS..  trans-66.1134.1169.7-170.50000110.1D83 K100 H101S81-D83 PolarHBondContact OG-OD1 2.94Å; S81-K100 CarbonylContact C-O 3.49Å; S81-K100 WeakPolarHBondContact CA-O 3.3Å; S81-H101 PolarHBondContact OG-CE1 3.14Å
82I78.5Confident76.2Confident23 Ų2365.7 Ų65.712%0.11838%0.381CS..EExtended strand (participates in β ladder)trans-99.7113.2171-64171.3000107.6P72 V75 F84 S99 K100 F144P72-I82 HydrophobicContact CG-CG2 4.14Å; V75-I82 HydrophobicContact CG1-CD1 4.27Å; V75-I82 HydrophobicContact CG1-CG2 4.5Å; I82-F84 HydrophobicContact CG2-CD2 4.14Å; I82-F84 HydrophobicContact CG2-CE2 3.59Å; I82-F84 HydrophobicContact CG2-CZ 4.41Å; I82-S99 WeakPolarHBondContact O-CA 3.19Å; I82-K100 PolarHBondContact N-O 3.43Å; I82-K100 PolarHBondContact O-N 2.96Å; I82-F144 HydrophobicContact CB-CZ 4.32Å; I82-F144 HydrophobicContact CD1-CE1 3.56Å; I82-F144 HydrophobicContact CD1-CZ 3.69Å; I82-F144 HydrophobicContact CG2-CZ 4.27Å
83D86.1Confident76.6Confident55 Ų5569.9 Ų69.929%0.29440%0.395SS..EExtended strand (participates in β ladder)trans-106.1130.4-179.4-73.59.5000110.3S81 R97 S99S81-D83 PolarHBondContact OG-OD1 2.94Å; D83-R97 IonicContact OD2-NH1 2.64Å; D83-R97 PolarHBondContact OD2-NH1 3.28Å; D83-R97 VanDerWaalsContact OD2-NH1 3.14Å; D83-S99 VanDerWaalsContact OD1-CB 3.3Å; D83-S99 WeakPolarHBondContact OD1-CB 3.46Å; D83-S99 PolarHBondContact OD1-OG 3.48Å
84F91.6Very high77.7Confident3 Ų368.5 Ų68.51%0.01339%0.392CS..EExtended strand (participates in β ladder)trans-107.1116.8168.2-70.4-104.5000108.1P54 F56 I69 I70 I82 R97 I98 I139 F143P54-F84 HydrophobicContact CB-CE1 4.5Å; P54-F84 HydrophobicContact CG-CE1 3.84Å; F56-F84 HydrophobicContact CE2-CE1 4.31Å; I69-F84 HydrophobicContact CG2-CB 3.82Å; I69-F84 HydrophobicContact CG2-CD1 4.31Å; I70-F84 CarbonylContact O-C 3.55Å; I70-F84 WeakPolarHBondContact O-CA 3.5Å; I82-F84 HydrophobicContact CG2-CD2 4.14Å; I82-F84 HydrophobicContact CG2-CE2 3.59Å; I82-F84 HydrophobicContact CG2-CZ 4.41Å; F84-R97 CarbonylContact O-C 3.55Å; F84-R97 WeakPolarHBondContact O-CA 3.4Å; F84-R97 WeakPolarHBondContact O-CB 3.4Å; F84-I98 HydrophobicContact CB-CB 4.22Å; F84-I98 PolarHBondContact N-O 3.48Å; F84-I98 PolarHBondContact O-N 2.96Å; F84-I139 HydrophobicContact CB-CD1 4.47Å; F84-I139 HydrophobicContact CD1-CD1 3.97Å; F84-I139 HydrophobicContact CD1-CG1 4.5Å; F84-I139 HydrophobicContact CD1-CG2 4.42Å; F84-I139 HydrophobicContact CD2-CG2 3.95Å; F84-I139 HydrophobicContact CE1-CD1 4.34Å; F84-I139 HydrophobicContact CE1-CG1 4.39Å; F84-I139 HydrophobicContact CE1-CG2 3.98Å; F84-I139 HydrophobicContact CE2-CG2 3.44Å; F84-I139 VanDerWaalsContact CE2-CG2 3.44Å; F84-I139 HydrophobicContact CG-CD1 4.11Å; F84-I139 HydrophobicContact CG-CG2 4.42Å; F84-I139 HydrophobicContact CZ-CG2 3.48Å; F84-I139 VanDerWaalsContact CZ-CG2 3.48Å; F84-F143 HydrophobicContact CE1-CD2 4.45Å; F84-F143 HydrophobicContact CE1-CE2 4.15Å; F84-F143 AromaticContact CZ-CD2 3.9Å; F84-F143 HydrophobicContact CZ-CD2 3.9Å; F84-F143 HydrophobicContact CZ-CE2 4.04Å
85E94.2Very high79.1Confident83 Ų8367.5 Ų67.539%0.38838%0.383SS..EExtended strand (participates in β ladder)trans-77.4132.7-179.2-65.2-179.4162.200110.4I69 I70 K87 V94I69-E85 CarbonylContact C-O 3.59Å; I69-E85 VanDerWaalsContact CA-O 3.3Å; I69-E85 WeakPolarHBondContact CA-O 3.41Å; I70-E85 PolarHBondContact N-O 2.88Å; I70-E85 PolarHBondContact O-N 2.87Å; E85-K87 HydrophobicContact CB-CG 4.3Å; E85-K87 WeakPolarHBondContact OE2-CE 3.3Å; E85-K87 IonicContact OE2-NZ 3.99Å; E85-K87 PolarHBondContact OE2-NZ 2.93Å; E85-V94 HydrophobicContact CB-CG1 4.47Å; E85-V94 HydrophobicContact CB-CG2 4.47Å
86I95.3Very high80.9Confident0 Ų065.5 Ų65.50%037%0.373CS..EExtended strand (participates in β ladder)trans-94.7122.6169.7-56.5161.8000107.1L67 K68 I69 V94 V95 G96 I98 Q119 M132L67-I86 HydrophobicContact CB-CG2 4.24Å; L67-I86 HydrophobicContact CD1-CG2 3.86Å; L67-I86 HydrophobicContact CD2-CG2 4.44Å; L67-I86 HydrophobicContact CG-CG2 4.41Å; K68-I86 CarbonylContact O-C 3.59Å; K68-I86 WeakPolarHBondContact O-CA 3.31Å; I69-I86 HydrophobicContact CG1-CG1 4.38Å; I86-V94 WeakPolarHBondContact O-CA 3.21Å; I86-V95 HydrophobicContact CB-CG2 4.37Å; I86-V95 HydrophobicContact CG2-CG2 3.81Å; I86-V95 WeakPolarHBondContact O-CG2 3.49Å; I86-V95 PolarHBondContact O-N 3.34Å; I86-G96 PolarHBondContact N-O 3.41Å; I86-G96 PolarHBondContact O-N 3.34Å; I86-I98 HydrophobicContact CD1-CG1 4.19Å; I86-Q119 VanDerWaalsContact CD1-O 3.24Å; I86-Q119 WeakPolarHBondContact CD1-O 3.4Å; I86-M132 HydrophobicContact CD1-CE 3.29Å; I86-M132 HydrophobicContact CG1-CE 3.63Å; I86-M132 HydrophobicContact CG2-CE 4.12Å
87K95.8Very high83Confident37 Ų3767 Ų6716%0.16137%0.369CS..EExtended strand (participates in β ladder)trans-124.5159.6-174.4-58.8-156.1-175.3-168.30113.4L67 K68 I70 E85 E91 F93 V94L67-K87 WeakPolarHBondContact CD2-O 3.48Å; K68-K87 PolarHBondContact N-O 3.35Å; K68-K87 PolarHBondContact O-N 2.9Å; I70-K87 HydrophobicContact CD1-CD 3.78Å; I70-K87 HydrophobicContact CD1-CG 4.31Å; E85-K87 HydrophobicContact CB-CG 4.3Å; E85-K87 WeakPolarHBondContact OE2-CE 3.3Å; E85-K87 IonicContact OE2-NZ 3.99Å; E85-K87 PolarHBondContact OE2-NZ 2.93Å; K87-E91 HydrophobicContact CD-CB 4.34Å; K87-E91 WeakPolarHBondContact CD-O 3.2Å; K87-F93 CarbonylContact C-O 3.57Å; K87-F93 WeakPolarHBondContact CA-O 3.36Å; K87-F93 WeakPolarHBondContact CB-O 3.36Å; K87-V94 HydrophobicContact CD-CG2 4.29Å; K87-V94 HydrophobicContact CG-CG2 4.22Å
88S95.2Very high85Confident22 Ų2260.5 Ų60.515%0.15434%0.335CS..  trans-57.6164162.450.70000112D90 E91 F93S88-D90 VanDerWaalsContact C-N 3.28Å; S88-D90 VanDerWaalsContact CB-OD1 3.22Å; S88-D90 WeakPolarHBondContact CB-OD1 3.41Å; S88-D90 PolarHBondContact O-N 3.25Å; S88-D90 PolarHBondContact OG-OD1 3Å; S88-E91 WeakPolarHBondContact O-CA 3.39Å; S88-E91 PolarHBondContact O-N 2.8Å; S88-F93 PolarHBondContact N-O 3.04Å; S88-F93 PolarHBondContact OG-N 3.48Å; S88-F93 VanDerWaalsContact OG-N 3.08Å; S88-F93 PolarHBondContact OG-O 2.93Å
89L94.6Very high86.9Confident78 Ų7853.7 Ų53.741%0.40830%0.301SS..THydrogen-bonded Turntrans-63.3-33-175.6-65.5178.9000113.8D65 V66 K68 E91D65-L89 HydrophobicContact CB-CD1 4.49Å; D65-L89 HydrophobicContact CB-CD2 3.65Å; D65-L89 WeakPolarHBondContact O-CD1 3.37Å; V66-L89 VanDerWaalsContact C-CD2 3.49Å; K68-L89 WeakPolarHBondContact CE-O 3.39Å; K68-L89 PolarHBondContact NZ-O 3.49Å; L89-E91 PolarHBondContact O-N 2.87Å
90D94.3Very high88.2Confident91 Ų9150.7 Ų50.749%0.48727%0.267SS..THydrogen-bonded Turntrans-74.7-6.3173.35517.2000113.4S88 E92S88-D90 VanDerWaalsContact C-N 3.28Å; S88-D90 VanDerWaalsContact CB-OD1 3.22Å; S88-D90 WeakPolarHBondContact CB-OD1 3.41Å; S88-D90 PolarHBondContact O-N 3.25Å; S88-D90 PolarHBondContact OG-OD1 3Å; D90-E92 HydrophobicContact CB-CG 4.11Å; D90-E92 PolarHBondContact O-N 3.34Å; D90-E92 PolarHBondContact OD1-N 2.99Å
91E93.7Very high88.6Confident59 Ų5954.2 Ų54.228%0.27628%0.275SS..SBendtrans64.112.1-176.2-53.9178.9-154.800114.6K55 K68 I70 K87 S88 L89K55-E91 IonicContact NZ-OE1 3.02Å; K55-E91 PolarHBondContact NZ-OE1 3.24Å; K55-E91 IonicContact NZ-OE2 3.4Å; K55-E91 PolarHBondContact NZ-OE2 3.18Å; K68-E91 HydrophobicContact CD-CG 3.44Å; K68-E91 VanDerWaalsContact CD-CG 3.44Å; K68-E91 WeakPolarHBondContact CD-OE1 3.37Å; K68-E91 IonicContact NZ-OE1 2.8Å; K68-E91 PolarHBondContact NZ-OE1 2.71Å; I70-E91 HydrophobicContact CD1-CB 4.28Å; I70-E91 HydrophobicContact CD1-CG 4.03Å; I70-E91 WeakPolarHBondContact CD1-OE2 3.31Å; K87-E91 HydrophobicContact CD-CB 4.34Å; K87-E91 WeakPolarHBondContact CD-O 3.2Å; S88-E91 WeakPolarHBondContact O-CA 3.39Å; S88-E91 PolarHBondContact O-N 2.8Å; L89-E91 PolarHBondContact O-N 2.87Å
92E93.5Very high88.4Confident141 Ų14156.2 Ų56.266%0.65927%0.274SS*.  trans-80.6-41.9-177-66-168.216900112.7D90D90-E92 HydrophobicContact CB-CG 4.11Å; D90-E92 PolarHBondContact O-N 3.34Å; D90-E92 PolarHBondContact OD1-N 2.99Å
93F93.3Very high86.8Confident129 Ų12959.9 Ų59.957%0.56630%0.302SS*.  trans-110.5132.1-173.7-59.3-79.6000112K87 S88K87-F93 CarbonylContact C-O 3.57Å; K87-F93 WeakPolarHBondContact CA-O 3.36Å; K87-F93 WeakPolarHBondContact CB-O 3.36Å; S88-F93 PolarHBondContact N-O 3.04Å; S88-F93 PolarHBondContact OG-N 3.48Å; S88-F93 VanDerWaalsContact OG-N 3.08Å; S88-F93 PolarHBondContact OG-O 2.93Å
94V94.8Very high84.9Confident81 Ų8159.9 Ų59.949%0.49132%0.315SS..EExtended strand (participates in β ladder)trans-85.3120.9168.7179.90000108.5E85 I86 K87 G96E85-V94 HydrophobicContact CB-CG1 4.47Å; E85-V94 HydrophobicContact CB-CG2 4.47Å; I86-V94 WeakPolarHBondContact O-CA 3.21Å; K87-V94 HydrophobicContact CD-CG2 4.29Å; K87-V94 HydrophobicContact CG-CG2 4.22Å; V94-G96 WeakPolarHBondContact CG1-O 3.38Å
95V93.9Very high82.6Confident53 Ų5367.5 Ų67.532%0.32135%0.354SS..EExtended strand (participates in β ladder)trans-111-4.1-178.7-59.80000112.8L67 I86 P121L67-V95 HydrophobicContact CD2-CG2 3.79Å; I86-V95 HydrophobicContact CB-CG2 4.37Å; I86-V95 HydrophobicContact CG2-CG2 3.81Å; I86-V95 WeakPolarHBondContact O-CG2 3.49Å; I86-V95 PolarHBondContact O-N 3.34Å; V95-P121 HydrophobicContact CB-CG 4.12Å; V95-P121 HydrophobicContact CG2-CG 4.18Å; V95-P121 WeakPolarHBondContact O-CD 3.48Å
96G92.6Very high79.7Confident11 Ų1171 Ų7111%0.11338%0.375CS..EExtended strand (participates in β ladder)trans178.8-176.4-17800000113.1I86 V94 Q119I86-G96 PolarHBondContact N-O 3.41Å; I86-G96 PolarHBondContact O-N 3.34Å; V94-G96 WeakPolarHBondContact CG1-O 3.38Å; G96-Q119 CarbonylContact C-O 3.55Å; G96-Q119 WeakPolarHBondContact CA-O 3.15Å
97R92.4Very high76.9Confident96 Ų9679.5 Ų79.536%0.36241%0.412SS..EExtended strand (participates in β ladder)trans-152157.6170.570.7-175.4154.1166.7-7.7113.1D83 F84 S99 I118 Q119D83-R97 IonicContact OD2-NH1 2.64Å; D83-R97 PolarHBondContact OD2-NH1 3.28Å; D83-R97 VanDerWaalsContact OD2-NH1 3.14Å; F84-R97 CarbonylContact O-C 3.55Å; F84-R97 WeakPolarHBondContact O-CA 3.4Å; F84-R97 WeakPolarHBondContact O-CB 3.4Å; R97-S99 WeakPolarHBondContact CD-OG 3.38Å; R97-I118 WeakPolarHBondContact O-CA 3.49Å; R97-Q119 HydrophobicContact CG-CB 4.37Å; R97-Q119 PolarHBondContact N-O 2.85Å; R97-Q119 PolarHBondContact O-N 3.42Å
98I90.6Very high74.4Confident3 Ų387.6 Ų87.62%0.01545%0.45CS..EExtended strand (participates in β ladder)trans-111.8122.2162.6-60.5165.6000106.6I69 F84 I86 G117 I118 M132 A135 C136 I139I69-I98 HydrophobicContact CD1-CD1 4.1Å; I69-I98 HydrophobicContact CG2-CD1 4.46Å; F84-I98 HydrophobicContact CB-CB 4.22Å; F84-I98 PolarHBondContact N-O 3.48Å; F84-I98 PolarHBondContact O-N 2.96Å; I86-I98 HydrophobicContact CD1-CG1 4.19Å; I98-G117 CarbonylContact C-O 3.56Å; I98-G117 WeakPolarHBondContact CA-O 3.36Å; I98-I118 HydrophobicContact CD1-CD1 4.15Å; I98-I118 HydrophobicContact CG1-CB 4.49Å; I98-I118 HydrophobicContact CG1-CD1 3.8Å; I98-I118 HydrophobicContact CG1-CG1 3.83Å; I98-M132 HydrophobicContact CD1-CE 4.19Å; I98-A135 HydrophobicContact CD1-CB 4.35Å; I98-C136 HydrophobicContact CD1-CB 4.48Å; I98-C136 HydrophobicContact CG2-CB 4.33Å; I98-I139 HydrophobicContact CD1-CD1 3.85Å
99S85.4Confident71.9Confident7 Ų792.6 Ų92.65%0.04947%0.474CS..EExtended strand (participates in β ladder)trans-120.7135.7-176.7-69.60000111.2I82 D83 R97 F116 G117I82-S99 WeakPolarHBondContact O-CA 3.19Å; D83-S99 VanDerWaalsContact OD1-CB 3.3Å; D83-S99 WeakPolarHBondContact OD1-CB 3.46Å; D83-S99 PolarHBondContact OD1-OG 3.48Å; R97-S99 WeakPolarHBondContact CD-OG 3.38Å; S99-F116 WeakPolarHBondContact O-CA 3.45Å; S99-G117 PolarHBondContact N-O 3.02Å; S99-G117 PolarHBondContact O-N 2.94Å
100K76.4Confident69Low9 Ų996.4 Ų96.44%0.03949%0.494CS..EExtended strand (participates in β ladder)trans-112.7115.9164-173.5-178.1-171.4174.90109.5S81 I82 W102 D114 F116 F144S81-K100 CarbonylContact C-O 3.49Å; S81-K100 WeakPolarHBondContact CA-O 3.3Å; I82-K100 PolarHBondContact N-O 3.43Å; I82-K100 PolarHBondContact O-N 2.96Å; K100-W102 HydrophobicContact CD-CZ2 4Å; K100-W102 VanDerWaalsContact NZ-CH2 3.31Å; K100-W102 VanDerWaalsContact NZ-CZ2 3.32Å; K100-D114 WeakPolarHBondContact CE-OD2 3.38Å; K100-D114 IonicContact NZ-OD2 2.71Å; K100-D114 PolarHBondContact NZ-OD2 2.96Å; K100-F116 HydrophobicContact CB-CD1 4.04Å; K100-F116 HydrophobicContact CB-CE1 3.68Å; K100-F116 HydrophobicContact CB-CZ 4.19Å; K100-F116 HydrophobicContact CD-CE1 3.66Å; K100-F116 HydrophobicContact CD-CE2 4.05Å; K100-F116 HydrophobicContact CD-CZ 3.29Å; K100-F116 VanDerWaalsContact CE-CZ 3.4Å; K100-F116 HydrophobicContact CG-CD1 4.2Å; K100-F116 HydrophobicContact CG-CE1 3.65Å; K100-F116 HydrophobicContact CG-CE2 4.15Å; K100-F116 HydrophobicContact CG-CZ 3.61Å; K100-F144 HydrophobicContact CB-CE2 4Å; K100-F144 HydrophobicContact CB-CZ 4.18Å; K100-F144 HydrophobicContact CD-CD1 4.02Å; K100-F144 HydrophobicContact CD-CD2 3.41Å; K100-F144 VanDerWaalsContact CD-CD2 3.41Å; K100-F144 HydrophobicContact CD-CE1 3.93Å; K100-F144 HydrophobicContact CD-CE2 3.37Å; K100-F144 HydrophobicContact CD-CG 3.75Å; K100-F144 HydrophobicContact CD-CZ 3.62Å; K100-F144 HydrophobicContact CG-CE2 4.26Å; K100-F144 HydrophobicContact CG-CZ 4.47Å
101H66.1Low66.3Low107 Ų10798.1 Ų98.150%0.49551%0.508SS..  trans-86.7119.5171.4-75.3-84.6000110.9S81S81-H101 PolarHBondContact OG-CE1 3.14Å
102W57.2Low63.7Low92 Ų92103.2 Ų103.235%0.34854%0.537SS..  trans-92.1109.5168.3-70.4100.1000109.9K100 G104 F144K100-W102 HydrophobicContact CD-CZ2 4Å; K100-W102 VanDerWaalsContact NZ-CH2 3.31Å; K100-W102 VanDerWaalsContact NZ-CZ2 3.32Å; W102-G104 PolarHBondContact O-N 2.75Å; W102-F144 HydrophobicContact CH2-CD1 4.36Å; W102-F144 AromaticContact CZ2-CD1 3.4Å; W102-F144 HydrophobicContact CZ2-CD1 3.4Å; W102-F144 VanDerWaalsContact CZ2-CD1 3.4Å; W102-F144 AromaticContact CZ2-CE1 3.77Å; W102-F144 HydrophobicContact CZ2-CE1 3.77Å; W102-F144 HydrophobicContact CZ2-CG 4.12Å; W102-F144 AromaticContact NE1-CE1 3.68Å
103S45.3Very low61.4Low100 Ų100101 Ų10170%0.69953%0.532SS*.  trans-77.763.3169.549.50000110.7
104G46Very low59.5Low55 Ų5597.8 Ų97.857%0.56752%0.522SS*.  trans-88.1122.3179.400000112.4W102W102-G104 PolarHBondContact O-N 2.75Å
105I43.7Very low58Low163 Ų16398.1 Ų98.184%0.83652%0.524SS*.SBendtrans109.7-11.1155.3-55.2166.8000118.2
106L34.2Very low56.9Low157 Ų15798.8 Ų98.882%0.82252%0.522SS*.SBendtrans-145.275.8172.8-106.8143.2000113.7
107K36.2Very low56.4Low178 Ų17899.7 Ų99.777%0.77453%0.532SS*.  trans151.397.1138.4-84169.2179.3-178.70110.5I109K107-I109 PolarHBondContact O-N 2.82Å
108E44.1Very low56.2Low207 Ų20797.3 Ų97.397%0.96753%0.526SS*.SBendtrans-65.822160.7-67.3-179.2140.900113.2
109I42Very low56.2Low128 Ų128102.2 Ų102.266%0.65655%0.548SS*.SBendtrans-140.599.4-176.8-52.9177.3000107.2K107K107-I109 PolarHBondContact O-N 2.82Å
110L33.1Very low56.3Low158 Ų158105 Ų10583%0.82756%0.56SS**SBendtrans103.3105.6168.4-53.5161000115.5
111T37.8Very low56.8Low127 Ų127106 Ų10678%0.77957%0.568SS**  trans74.281.3167.334.20000117.8V113T111-V113 VanDerWaalsContact C-N 3.32Å; T111-V113 PolarHBondContact O-N 2.87Å
112D38.9Very low57.6Low165 Ų165108.7 Ų108.788%0.88259%0.585SS**  trans-66.978.3164.2-168.927.5000110.9
113V44.9Very low59.1Low94 Ų94111.3 Ų111.357%0.5761%0.605SS**  trans-135.594.5175-169.70000109.8T111 T115T111-V113 VanDerWaalsContact C-N 3.32Å; T111-V113 PolarHBondContact O-N 2.87Å; V113-T115 PolarHBondContact O-N 3.25Å; V113-T115 PolarHBondContact O-OG1 2.97Å
114D53.6Low61.3Low63 Ų63107.5 Ų107.534%0.33758%0.577SS.*  trans-52.6108160.5-82.3-13.7000108.3K100 F116K100-D114 WeakPolarHBondContact CE-OD2 3.38Å; K100-D114 IonicContact NZ-OD2 2.71Å; K100-D114 PolarHBondContact NZ-OD2 2.96Å; D114-F116 HydrophobicContact CB-CE2 4.24Å; D114-F116 PolarHBondContact O-N 3.3Å
115T63.8Low63.6Low87 Ų87109.1 Ų109.153%0.53457%0.573SS.*  trans-90101.9-179.8-56.40000109.3V113V113-T115 PolarHBondContact O-N 3.25Å; V113-T115 PolarHBondContact O-OG1 2.97Å
116F70.8Confident66Low67 Ų67106.7 Ų106.729%0.29457%0.565SS.*EExtended strand (participates in β ladder)trans-78.5125.5166.9-74.8-92.6000110S99 K100 D114 D140 F144S99-F116 WeakPolarHBondContact O-CA 3.45Å; K100-F116 HydrophobicContact CB-CD1 4.04Å; K100-F116 HydrophobicContact CB-CE1 3.68Å; K100-F116 HydrophobicContact CB-CZ 4.19Å; K100-F116 HydrophobicContact CD-CE1 3.66Å; K100-F116 HydrophobicContact CD-CE2 4.05Å; K100-F116 HydrophobicContact CD-CZ 3.29Å; K100-F116 VanDerWaalsContact CE-CZ 3.4Å; K100-F116 HydrophobicContact CG-CD1 4.2Å; K100-F116 HydrophobicContact CG-CE1 3.65Å; K100-F116 HydrophobicContact CG-CE2 4.15Å; K100-F116 HydrophobicContact CG-CZ 3.61Å; D114-F116 HydrophobicContact CB-CE2 4.24Å; D114-F116 PolarHBondContact O-N 3.3Å; F116-D140 HydrophobicContact CE1-CB 4.07Å; F116-D140 HydrophobicContact CZ-CB 4.06Å; F116-D140 WeakPolarHBondContact CZ-OD1 3.26Å; F116-F144 HydrophobicContact CE1-CD2 4.04Å; F116-F144 HydrophobicContact CE1-CE2 4.12Å; F116-F144 AromaticContact CZ-CD2 3.95Å; F116-F144 HydrophobicContact CZ-CD2 3.95Å; F116-F144 HydrophobicContact CZ-CE2 4.42Å
117G82.3Confident68.9Low30 Ų30103.1 Ų103.131%0.30954%0.543SS..EExtended strand (participates in β ladder)trans-115.7137.3176.100000111.2I98 S99I98-G117 CarbonylContact C-O 3.56Å; I98-G117 WeakPolarHBondContact CA-O 3.36Å; S99-G117 PolarHBondContact N-O 3.02Å; S99-G117 PolarHBondContact O-N 2.94Å
118I88.6Confident71.8Confident46 Ų4695 Ų9524%0.23651%0.508CS..EExtended strand (participates in β ladder)trans-122.6131.2169.5-168.9163.1000110.6R97 I98 F120 M132 L133R97-I118 WeakPolarHBondContact O-CA 3.49Å; I98-I118 HydrophobicContact CD1-CD1 4.15Å; I98-I118 HydrophobicContact CG1-CB 4.49Å; I98-I118 HydrophobicContact CG1-CD1 3.8Å; I98-I118 HydrophobicContact CG1-CG1 3.83Å; I118-F120 HydrophobicContact CD1-CD1 4.23Å; I118-F120 HydrophobicContact CG1-CD1 3.98Å; I118-F120 HydrophobicContact CG1-CE1 4.48Å; I118-F120 HydrophobicContact CG2-CD1 4.45Å; I118-F120 HydrophobicContact CG2-CE1 4.14Å; I118-M132 HydrophobicContact CD1-CB 3.66Å; I118-M132 HydrophobicContact CD1-CE 4.31Å; I118-M132 WeakPolarHBondContact CD1-O 3.4Å; I118-L133 HydrophobicContact CG2-CD2 4.23Å
119Q90.1Very high74.2Confident106 Ų10687.7 Ų87.750%0.49547%0.473SS..EExtended strand (participates in β ladder)trans-124.7119.7176.7-66.9173.8-4.100107.1I86 G96 R97I86-Q119 VanDerWaalsContact CD1-O 3.24Å; I86-Q119 WeakPolarHBondContact CD1-O 3.4Å; G96-Q119 CarbonylContact C-O 3.55Å; G96-Q119 WeakPolarHBondContact CA-O 3.15Å; R97-Q119 HydrophobicContact CG-CB 4.37Å; R97-Q119 PolarHBondContact N-O 2.85Å; R97-Q119 PolarHBondContact O-N 3.42Å
120F87.6Confident76.7Confident67 Ų6782.3 Ų82.329%0.29445%0.448SS..  trans-129.5162.1176.945.3-114.3000109.3I118 L124 K129 M132I118-F120 HydrophobicContact CD1-CD1 4.23Å; I118-F120 HydrophobicContact CG1-CD1 3.98Å; I118-F120 HydrophobicContact CG1-CE1 4.48Å; I118-F120 HydrophobicContact CG2-CD1 4.45Å; I118-F120 HydrophobicContact CG2-CE1 4.14Å; F120-L124 HydrophobicContact CB-CD2 3.75Å; F120-L124 HydrophobicContact CD2-CD2 4.43Å; F120-L124 HydrophobicContact CG-CD2 4.09Å; F120-K129 HydrophobicContact CD1-CG 4.46Å; F120-K129 HydrophobicContact CD2-CD 4.13Å; F120-K129 HydrophobicContact CD2-CG 3.88Å; F120-K129 HydrophobicContact CE1-CB 4.26Å; F120-K129 HydrophobicContact CE1-CG 4.15Å; F120-K129 HydrophobicContact CE2-CB 4.44Å; F120-K129 HydrophobicContact CE2-CD 3.46Å; F120-K129 VanDerWaalsContact CE2-CD 3.46Å; F120-K129 HydrophobicContact CE2-CG 3.56Å; F120-K129 HydrophobicContact CG-CG 4.36Å; F120-K129 HydrophobicContact CZ-CB 4.08Å; F120-K129 HydrophobicContact CZ-CD 3.8Å; F120-K129 HydrophobicContact CZ-CG 3.7Å; F120-M132 HydrophobicContact CD1-CB 4.4Å
121P86.1Confident79.8Confident30 Ų3074.8 Ų74.820%0.19541%0.408CS..  trans-63.6147.9-178.121.7-28.3000111.8V95 D123 L124V95-P121 HydrophobicContact CB-CG 4.12Å; V95-P121 HydrophobicContact CG2-CG 4.18Å; V95-P121 WeakPolarHBondContact O-CD 3.48Å; P121-D123 VanDerWaalsContact C-N 3.31Å; P121-D123 WeakPolarHBondContact CB-OD1 3.22Å; P121-D123 PolarHBondContact O-N 2.82Å; P121-L124 HydrophobicContact CG-CB 4.13Å; P121-L124 WeakPolarHBondContact O-CB 3.39Å; P121-L124 PolarHBondContact O-N 2.93Å; P121-L124 VanDerWaalsContact O-N 3.13Å
122L83.4Confident82.5Confident163 Ų16368.8 Ų68.885%0.85337%0.371SS*.THydrogen-bonded Turntrans-60.5-42.9-171.3-178.768.9000112L124 K129L122-L124 PolarHBondContact O-N 2.72Å; L122-K129 PolarHBondContact O-NZ 2.84Å; L122-K129 VanDerWaalsContact O-NZ 3.11Å
123D89.4Confident85.1Confident147 Ų14764.2 Ų64.279%0.78635%0.346SS*.THydrogen-bonded Turntrans-78.92-179.561.4-34.6000113.8P121 D125P121-D123 VanDerWaalsContact C-N 3.31Å; P121-D123 WeakPolarHBondContact CB-OD1 3.22Å; P121-D123 PolarHBondContact O-N 2.82Å; D123-D125 PolarHBondContact O-N 2.96Å
124L91.8Very high87.4Confident19 Ų1959.8 Ų59.810%0.09932%0.32CS..  trans-60.8132.7174.4-168.463.4000110.6L67 F120 P121 L122 M128 K129 M132L67-L124 HydrophobicContact CD1-CD1 3.97Å; L67-L124 HydrophobicContact CD1-CD2 4.37Å; F120-L124 HydrophobicContact CB-CD2 3.75Å; F120-L124 HydrophobicContact CD2-CD2 4.43Å; F120-L124 HydrophobicContact CG-CD2 4.09Å; P121-L124 HydrophobicContact CG-CB 4.13Å; P121-L124 WeakPolarHBondContact O-CB 3.39Å; P121-L124 PolarHBondContact O-N 2.93Å; P121-L124 VanDerWaalsContact O-N 3.13Å; L122-L124 PolarHBondContact O-N 2.72Å; L124-M128 HydrophobicContact CD1-CB 3.69Å; L124-M128 HydrophobicContact CD1-CG 4.32Å; L124-M128 HydrophobicContact CD2-CB 4.03Å; L124-M128 HydrophobicContact CG-CB 3.69Å; L124-K129 HydrophobicContact CB-CG 4.37Å; L124-K129 HydrophobicContact CD2-CG 4.17Å; L124-K129 HydrophobicContact CG-CG 4.36Å; L124-K129 WeakPolarHBondContact O-CE 3.31Å; L124-K129 PolarHBondContact O-NZ 2.84Å; L124-K129 VanDerWaalsContact O-NZ 3.14Å; L124-M132 HydrophobicContact CD2-CG 3.93Å
125D93.6Very high89.3Confident90 Ų9056.8 Ų56.848%0.48130%0.304SS..  trans-55.4144.4177.5-176.5-93.7000111.6D123 K127 M128 K129D123-D125 PolarHBondContact O-N 2.96Å; D125-K127 VanDerWaalsContact C-N 3.26Å; D125-K127 PolarHBondContact O-N 3.4Å; D125-K127 WeakPolarHBondContact OD1-CA 3.48Å; D125-K127 WeakPolarHBondContact OD1-CB 3.18Å; D125-K127 WeakPolarHBondContact OD1-CG 3.43Å; D125-K127 PolarHBondContact OD1-N 3.39Å; D125-M128 HydrophobicContact CB-CB 4.39Å; D125-M128 HydrophobicContact CB-CG 4.29Å; D125-M128 WeakPolarHBondContact O-CA 2.78Å; D125-M128 WeakPolarHBondContact O-CB 3.33Å; D125-M128 PolarHBondContact O-N 2.89Å; D125-K129 PolarHBondContact O-N 3.05Å
126V94.2Very high90.6Very high112 Ų11253.4 Ų53.468%0.67928%0.284SS*.Hα-helixtrans-61.3-35.8-176.6177.20000111.7M128 K129 A130V126-M128 VanDerWaalsContact C-N 3.32Å; V126-K129 WeakPolarHBondContact O-CB 3.37Å; V126-K129 PolarHBondContact O-N 3.45Å; V126-A130 PolarHBondContact O-N 3.42Å
127K95.4Very high91.5Very high81 Ų8153.9 Ų53.935%0.35229%0.286SS..Hα-helixtrans-63.1-42.5173.4-61.9-176.2-171-178.30110.6V42 E61 D125 K129 A130 V131V42-K127 HydrophobicContact CB-CB 4.1Å; V42-K127 HydrophobicContact CB-CD 4.26Å; V42-K127 HydrophobicContact CB-CG 4.31Å; V42-K127 HydrophobicContact CG1-CD 4.21Å; V42-K127 HydrophobicContact CG1-CG 4.3Å; E61-K127 IonicContact OE1-NZ 2.92Å; E61-K127 PolarHBondContact OE1-NZ 3.02Å; E61-K127 WeakPolarHBondContact OE2-CD 3.49Å; E61-K127 WeakPolarHBondContact OE2-CE 3.43Å; E61-K127 IonicContact OE2-NZ 3.99Å; E61-K127 PolarHBondContact OE2-NZ 2.93Å; D125-K127 VanDerWaalsContact C-N 3.26Å; D125-K127 PolarHBondContact O-N 3.4Å; D125-K127 WeakPolarHBondContact OD1-CA 3.48Å; D125-K127 WeakPolarHBondContact OD1-CB 3.18Å; D125-K127 WeakPolarHBondContact OD1-CG 3.43Å; D125-K127 PolarHBondContact OD1-N 3.39Å; K127-K129 VanDerWaalsContact C-N 3.32Å; K127-K129 PolarHBondContact O-N 2.85Å; K127-A130 WeakPolarHBondContact O-CA 3.41Å; K127-A130 WeakPolarHBondContact O-CB 3.43Å; K127-A130 PolarHBondContact O-N 2.83Å; K127-A130 VanDerWaalsContact O-N 3.08Å; K127-V131 WeakPolarHBondContact O-CG2 3.21Å; K127-V131 PolarHBondContact O-N 3.18Å
128M96.3Very high91.8Very high9 Ų952.6 Ų52.64%0.04427%0.272CS..Hα-helixtrans-67.2-33.7178.7-69.4-5498.800111.9V42 V58 N60 V66 L124 D125 V126 A130 V131 M132V42-M128 WeakPolarHBondContact O-CE 3.37Å; V58-M128 HydrophobicContact CG1-SD 4.39Å; N60-M128 HydrophobicContact CB-CE 3.96Å; N60-M128 HydrophobicContact CB-SD 4.26Å; V66-M128 HydrophobicContact CB-SD 4.48Å; V66-M128 HydrophobicContact CG1-CG 4.43Å; V66-M128 HydrophobicContact CG2-SD 4.07Å; L124-M128 HydrophobicContact CD1-CB 3.69Å; L124-M128 HydrophobicContact CD1-CG 4.32Å; L124-M128 HydrophobicContact CD2-CB 4.03Å; L124-M128 HydrophobicContact CG-CB 3.69Å; D125-M128 HydrophobicContact CB-CB 4.39Å; D125-M128 HydrophobicContact CB-CG 4.29Å; D125-M128 WeakPolarHBondContact O-CA 2.78Å; D125-M128 WeakPolarHBondContact O-CB 3.33Å; D125-M128 PolarHBondContact O-N 2.89Å; V126-M128 VanDerWaalsContact C-N 3.32Å; M128-A130 VanDerWaalsContact C-N 3.28Å; M128-A130 PolarHBondContact O-N 3.49Å; M128-V131 HydrophobicContact CE-CB 4.44Å; M128-V131 HydrophobicContact CE-CG2 3.66Å; M128-V131 WeakPolarHBondContact O-CB 3.41Å; M128-V131 PolarHBondContact O-N 2.84Å; M128-V131 VanDerWaalsContact O-N 3.13Å; M128-V131 HydrophobicContact SD-CB 4.43Å; M128-V131 HydrophobicContact SD-CG2 4.26Å; M128-M132 WeakPolarHBondContact O-CB 3.48Å; M128-M132 WeakPolarHBondContact O-CG 3.01Å; M128-M132 PolarHBondContact O-N 3.41Å
129K94.6Very high91.7Very high53 Ų5350.5 Ų50.523%0.2326%0.261CS..Hα-helixtrans-58.2-40.7170-65.7174.5179.2160.70111.6F120 L122 L124 D125 V126 K127 M132 L133F120-K129 HydrophobicContact CD1-CG 4.46Å; F120-K129 HydrophobicContact CD2-CD 4.13Å; F120-K129 HydrophobicContact CD2-CG 3.88Å; F120-K129 HydrophobicContact CE1-CB 4.26Å; F120-K129 HydrophobicContact CE1-CG 4.15Å; F120-K129 HydrophobicContact CE2-CB 4.44Å; F120-K129 HydrophobicContact CE2-CD 3.46Å; F120-K129 VanDerWaalsContact CE2-CD 3.46Å; F120-K129 HydrophobicContact CE2-CG 3.56Å; F120-K129 HydrophobicContact CG-CG 4.36Å; F120-K129 HydrophobicContact CZ-CB 4.08Å; F120-K129 HydrophobicContact CZ-CD 3.8Å; F120-K129 HydrophobicContact CZ-CG 3.7Å; L122-K129 PolarHBondContact O-NZ 2.84Å; L122-K129 VanDerWaalsContact O-NZ 3.11Å; L124-K129 HydrophobicContact CB-CG 4.37Å; L124-K129 HydrophobicContact CD2-CG 4.17Å; L124-K129 HydrophobicContact CG-CG 4.36Å; L124-K129 WeakPolarHBondContact O-CE 3.31Å; L124-K129 PolarHBondContact O-NZ 2.84Å; L124-K129 VanDerWaalsContact O-NZ 3.14Å; D125-K129 PolarHBondContact O-N 3.05Å; V126-K129 WeakPolarHBondContact O-CB 3.37Å; V126-K129 PolarHBondContact O-N 3.45Å; K127-K129 VanDerWaalsContact C-N 3.32Å; K127-K129 PolarHBondContact O-N 2.85Å; K129-M132 PolarHBondContact O-N 2.76Å; K129-L133 WeakPolarHBondContact O-CG 3.31Å; K129-L133 PolarHBondContact O-N 2.91Å; K129-L133 VanDerWaalsContact O-N 3.09Å
130A95.2Very high91.3Very high15 Ų1547.2 Ų47.212%0.12425%0.247CC..Hα-helixtrans-66-40.6173.900000112.5I12 I34 V126 K127 M128 M132 L133 G134I12-A130 HydrophobicContact CD1-CB 4.15Å; I34-A130 HydrophobicContact CG2-CB 4.49Å; V126-A130 PolarHBondContact O-N 3.42Å; K127-A130 WeakPolarHBondContact O-CA 3.41Å; K127-A130 WeakPolarHBondContact O-CB 3.43Å; K127-A130 PolarHBondContact O-N 2.83Å; K127-A130 VanDerWaalsContact O-N 3.08Å; M128-A130 VanDerWaalsContact C-N 3.28Å; M128-A130 PolarHBondContact O-N 3.49Å; A130-M132 VanDerWaalsContact C-N 3.31Å; A130-M132 PolarHBondContact O-N 3.47Å; A130-L133 WeakPolarHBondContact O-CB 3.48Å; A130-L133 PolarHBondContact O-N 2.88Å; A130-G134 PolarHBondContact O-N 3.34Å
131V97Very high90.9Very high0 Ų045.3 Ų45.30%024%0.239CC..Hα-helixtrans-61.6-40.9174.5178.90000111.2I34 V42 V45 V58 K127 M128 L133 G134 A135I34-V131 HydrophobicContact CB-CG2 4.31Å; I34-V131 HydrophobicContact CD1-CG1 3.99Å; V42-V131 HydrophobicContact CG2-CG2 4.3Å; V45-V131 HydrophobicContact CG2-CG1 3.64Å; V58-V131 HydrophobicContact CG1-CB 4.5Å; V58-V131 HydrophobicContact CG1-CG1 3.68Å; K127-V131 WeakPolarHBondContact O-CG2 3.21Å; K127-V131 PolarHBondContact O-N 3.18Å; M128-V131 HydrophobicContact CE-CB 4.44Å; M128-V131 HydrophobicContact CE-CG2 3.66Å; M128-V131 WeakPolarHBondContact O-CB 3.41Å; M128-V131 PolarHBondContact O-N 2.84Å; M128-V131 VanDerWaalsContact O-N 3.13Å; M128-V131 HydrophobicContact SD-CB 4.43Å; M128-V131 HydrophobicContact SD-CG2 4.26Å; V131-L133 VanDerWaalsContact C-N 3.34Å; V131-L133 PolarHBondContact O-N 2.77Å; V131-G134 CarbonylContact O-C 3.42Å; V131-G134 WeakPolarHBondContact O-CA 3.39Å; V131-G134 PolarHBondContact O-N 2.93Å; V131-G134 VanDerWaalsContact O-N 3.07Å; V131-A135 PolarHBondContact O-N 3.45Å
132M95.4Very high90.5Very high0 Ų045.8 Ų45.80%024%0.239CC..Hα-helixtrans-64-36.2176.7-69.9-50.5-59.100112.6V58 L67 I69 I86 I98 I118 F120 L124 M128 K129 A130 A135 C136V58-M132 HydrophobicContact CB-SD 4.47Å; V58-M132 HydrophobicContact CG1-SD 4.04Å; V58-M132 HydrophobicContact CG2-SD 3.74Å; L67-M132 HydrophobicContact CD1-SD 4.4Å; I69-M132 HydrophobicContact CD1-CE 3.77Å; I69-M132 HydrophobicContact CD1-SD 4.37Å; I69-M132 HydrophobicContact CG1-CE 4.18Å; I86-M132 HydrophobicContact CD1-CE 3.29Å; I86-M132 HydrophobicContact CG1-CE 3.63Å; I86-M132 HydrophobicContact CG2-CE 4.12Å; I98-M132 HydrophobicContact CD1-CE 4.19Å; I118-M132 HydrophobicContact CD1-CB 3.66Å; I118-M132 HydrophobicContact CD1-CE 4.31Å; I118-M132 WeakPolarHBondContact CD1-O 3.4Å; F120-M132 HydrophobicContact CD1-CB 4.4Å; L124-M132 HydrophobicContact CD2-CG 3.93Å; M128-M132 WeakPolarHBondContact O-CB 3.48Å; M128-M132 WeakPolarHBondContact O-CG 3.01Å; M128-M132 PolarHBondContact O-N 3.41Å; K129-M132 PolarHBondContact O-N 2.76Å; A130-M132 VanDerWaalsContact C-N 3.31Å; A130-M132 PolarHBondContact O-N 3.47Å; M132-A135 WeakPolarHBondContact O-CB 2.95Å; M132-A135 PolarHBondContact O-N 2.8Å; M132-C136 PolarHBondContact O-N 2.91Å
133L93.1Very high90Very high69 Ų6940.8 Ų40.836%0.36121%0.21SC..Hα-helixtrans-62.9-42.8169.4-68172.5000111.3I118 K129 A130 V131 A135 C136 F137I118-L133 HydrophobicContact CG2-CD2 4.23Å; K129-L133 WeakPolarHBondContact O-CG 3.31Å; K129-L133 PolarHBondContact O-N 2.91Å; K129-L133 VanDerWaalsContact O-N 3.09Å; A130-L133 WeakPolarHBondContact O-CB 3.48Å; A130-L133 PolarHBondContact O-N 2.88Å; V131-L133 VanDerWaalsContact C-N 3.34Å; V131-L133 PolarHBondContact O-N 2.77Å; L133-A135 VanDerWaalsContact C-N 3.3Å; L133-A135 PolarHBondContact O-N 3.3Å; L133-C136 WeakPolarHBondContact O-CB 3.32Å; L133-C136 PolarHBondContact O-N 2.79Å; L133-C136 VanDerWaalsContact O-N 3.16Å; L133-F137 WeakPolarHBondContact O-CD2 3.42Å; L133-F137 PolarHBondContact O-N 3.34Å; L133-F137 VanDerWaalsContact O-N 3.09Å
134G93.5Very high89Confident1 Ų135.1 Ų35.11%0.0118%0.179CC..Hα-helixtrans-59.1-39.3173.100000113.2A130 V131 F137 L138A130-G134 PolarHBondContact O-N 3.34Å; V131-G134 CarbonylContact O-C 3.42Å; V131-G134 WeakPolarHBondContact O-CA 3.39Å; V131-G134 PolarHBondContact O-N 2.93Å; V131-G134 VanDerWaalsContact O-N 3.07Å; G134-F137 PolarHBondContact O-N 3.42Å; G134-L138 PolarHBondContact O-N 2.8Å
135A93.8Very high87.7Confident1 Ų139.1 Ų39.11%0.00820%0.197CC..Hα-helixtrans-61.7-44173.600000111.8V45 I69 I98 V131 M132 L133 F137 L138 I139V45-A135 HydrophobicContact CB-CB 4.46Å; V45-A135 HydrophobicContact CG1-CB 4.03Å; V45-A135 HydrophobicContact CG2-CB 3.76Å; I69-A135 HydrophobicContact CD1-CB 3.48Å; I69-A135 VanDerWaalsContact CD1-CB 3.48Å; I98-A135 HydrophobicContact CD1-CB 4.35Å; V131-A135 PolarHBondContact O-N 3.45Å; M132-A135 WeakPolarHBondContact O-CB 2.95Å; M132-A135 PolarHBondContact O-N 2.8Å; L133-A135 VanDerWaalsContact C-N 3.3Å; L133-A135 PolarHBondContact O-N 3.3Å; A135-F137 PolarHBondContact O-N 3.46Å; A135-L138 PolarHBondContact O-N 3.28Å; A135-I139 VanDerWaalsContact O-CG1 3.31Å; A135-I139 WeakPolarHBondContact O-CG1 3.13Å; A135-I139 PolarHBondContact O-N 2.64Å
136C91.3Very high85.6Confident16 Ų1638.9 Ų38.911%0.10820%0.202CC..Hα-helixtrans-58.1-47.7177.5-171.60000111.5I98 M132 L133 L138 I139 D140I98-C136 HydrophobicContact CD1-CB 4.48Å; I98-C136 HydrophobicContact CG2-CB 4.33Å; M132-C136 PolarHBondContact O-N 2.91Å; L133-C136 WeakPolarHBondContact O-CB 3.32Å; L133-C136 PolarHBondContact O-N 2.79Å; L133-C136 VanDerWaalsContact O-N 3.16Å; C136-L138 PolarHBondContact O-N 3.33Å; C136-I139 PolarHBondContact O-N 2.04Å; C136-D140 PolarHBondContact O-N 2.86Å
137F89.2Confident83.3Confident76 Ų7637.4 Ų37.433%0.33321%0.209SC..Hα-helixtrans-65.1-38.1176.9-69.4-60000112.9M1 I3 L14 L133 G134 A135 D140 F141M1-F137 HydrophobicContact CE-CD1 3.83Å; M1-F137 HydrophobicContact CE-CD2 4.22Å; M1-F137 HydrophobicContact CE-CE1 3.61Å; M1-F137 HydrophobicContact CE-CE2 4Å; M1-F137 HydrophobicContact CE-CG 4.14Å; M1-F137 HydrophobicContact CE-CZ 3.69Å; M1-F137 HydrophobicContact SD-CB 4.27Å; M1-F137 HydrophobicContact SD-CD1 4.01Å; M1-F137 HydrophobicContact SD-CD2 4.17Å; M1-F137 HydrophobicContact SD-CE1 4.39Å; M1-F137 HydrophobicContact SD-CG 3.89Å; I3-F137 HydrophobicContact CD1-CE2 3.89Å; L14-F137 HydrophobicContact CD1-CB 4.03Å; L14-F137 HydrophobicContact CD1-CD2 3.61Å; L14-F137 HydrophobicContact CD1-CE2 4.45Å; L14-F137 HydrophobicContact CD1-CG 4.13Å; L133-F137 WeakPolarHBondContact O-CD2 3.42Å; L133-F137 PolarHBondContact O-N 3.34Å; L133-F137 VanDerWaalsContact O-N 3.09Å; G134-F137 PolarHBondContact O-N 3.42Å; A135-F137 PolarHBondContact O-N 3.46Å; F137-D140 PolarHBondContact O-N 3.08Å; F137-F141 WeakPolarHBondContact O-CB 3.42Å; F137-F141 PolarHBondContact O-N 3.05Å
138L87.8Confident80.6Confident3 Ų336.3 Ų36.32%0.01622%0.221CC..Hα-helixtrans-63.1-43.7175.9178.863.3000111.6Q30 I32 V45 F56 G134 A135 C136 F141 M142Q30-L138 HydrophobicContact CB-CD1 4.27Å; Q30-L138 HydrophobicContact CB-CD2 4.42Å; I32-L138 HydrophobicContact CB-CD2 4.31Å; I32-L138 HydrophobicContact CD1-CB 4.4Å; I32-L138 HydrophobicContact CG2-CB 4.2Å; I32-L138 HydrophobicContact CG2-CD2 3.8Å; I32-L138 HydrophobicContact CG2-CG 4.49Å; V45-L138 HydrophobicContact CG1-CD2 4.29Å; F56-L138 HydrophobicContact CD1-CD2 4.31Å; F56-L138 HydrophobicContact CE1-CD2 4.16Å; G134-L138 PolarHBondContact O-N 2.8Å; A135-L138 PolarHBondContact O-N 3.28Å; C136-L138 PolarHBondContact O-N 3.33Å; L138-F141 PolarHBondContact O-N 3.06Å; L138-M142 HydrophobicContact CD1-CG 4.1Å; L138-M142 HydrophobicContact CD1-SD 3.94Å; L138-M142 HydrophobicContact CD2-SD 4.39Å; L138-M142 HydrophobicContact CG-CG 4.41Å; L138-M142 HydrophobicContact CG-SD 3.86Å; L138-M142 WeakPolarHBondContact O-CB 3.38Å; L138-M142 WeakPolarHBondContact O-CG 3.47Å; L138-M142 PolarHBondContact O-N 3.27Å
139I86.1Confident77.7Confident3 Ų339.3 Ų39.32%0.01525%0.254CS..Hα-helixtrans-62.2-45.3177.4-71.8166.3000110.3F56 I69 F84 I98 A135 C136 M142 F143F56-I139 HydrophobicContact CE2-CD1 4.43Å; F56-I139 HydrophobicContact CE2-CG1 3.98Å; F56-I139 HydrophobicContact CZ-CG1 4.19Å; I69-I139 HydrophobicContact CG2-CD1 4.1Å; F84-I139 HydrophobicContact CB-CD1 4.47Å; F84-I139 HydrophobicContact CD1-CD1 3.97Å; F84-I139 HydrophobicContact CD1-CG1 4.5Å; F84-I139 HydrophobicContact CD1-CG2 4.42Å; F84-I139 HydrophobicContact CD2-CG2 3.95Å; F84-I139 HydrophobicContact CE1-CD1 4.34Å; F84-I139 HydrophobicContact CE1-CG1 4.39Å; F84-I139 HydrophobicContact CE1-CG2 3.98Å; F84-I139 HydrophobicContact CE2-CG2 3.44Å; F84-I139 VanDerWaalsContact CE2-CG2 3.44Å; F84-I139 HydrophobicContact CG-CD1 4.11Å; F84-I139 HydrophobicContact CG-CG2 4.42Å; F84-I139 HydrophobicContact CZ-CG2 3.48Å; F84-I139 VanDerWaalsContact CZ-CG2 3.48Å; I98-I139 HydrophobicContact CD1-CD1 3.85Å; A135-I139 VanDerWaalsContact O-CG1 3.31Å; A135-I139 WeakPolarHBondContact O-CG1 3.13Å; A135-I139 PolarHBondContact O-N 2.64Å; C136-I139 PolarHBondContact O-N 2.04Å; I139-M142 PolarHBondContact O-N 3.2Å; I139-F143 HydrophobicContact CG2-CD2 4.08Å; I139-F143 WeakPolarHBondContact O-CD2 3.21Å; I139-F143 PolarHBondContact O-N 3.42Å
140D82.3Confident75.1Confident37 Ų3746.4 Ų46.420%0.19829%0.288CS..Hα-helixtrans-59.7-49.7178-176.142.9000112.3F116 C136 F137 M142 F143 F144 E145F116-D140 HydrophobicContact CE1-CB 4.07Å; F116-D140 HydrophobicContact CZ-CB 4.06Å; F116-D140 WeakPolarHBondContact CZ-OD1 3.26Å; C136-D140 PolarHBondContact O-N 2.86Å; F137-D140 PolarHBondContact O-N 3.08Å; D140-M142 VanDerWaalsContact C-N 3.33Å; D140-M142 PolarHBondContact O-N 3.11Å; D140-F143 PolarHBondContact O-N 2.96Å; D140-F144 WeakPolarHBondContact O-CB 3.4Å; D140-F144 PolarHBondContact O-N 3.08Å; D140-F144 WeakPolarHBondContact OD1-CB 3.32Å; D140-E145 PolarHBondContact O-N 2.5Å
141F79.3Confident72.5Confident26 Ų2656.4 Ų56.411%0.11432%0.323CS..Hα-helixtrans-55.8-45.3174.9177.7-86.6000112.5R16 F137 L138 E145 K153R16-F141 VanDerWaalsContact CZ-CE1 3.42Å; F137-F141 WeakPolarHBondContact O-CB 3.42Å; F137-F141 PolarHBondContact O-N 3.05Å; L138-F141 PolarHBondContact O-N 3.06Å; F141-E145 WeakPolarHBondContact CD2-OE2 3.36Å; F141-K153 HydrophobicContact CE2-CB 4.3Å; F141-K153 HydrophobicContact CZ-CB 4.21Å; F141-K153 HydrophobicContact CZ-CD 4.14Å; F141-K153 HydrophobicContact CZ-CG 4.35Å
142M77.4Confident69.8Low40 Ų4061.8 Ų61.820%0.19736%0.358CS..Hα-helixtrans-71.6-39.3-174.5-75.9179.467.500113.7Q30 F56 L138 I139 D140Q30-M142 HydrophobicContact CB-CE 4.18Å; Q30-M142 HydrophobicContact CB-SD 3.75Å; Q30-M142 HydrophobicContact CG-CE 3.6Å; Q30-M142 HydrophobicContact CG-CG 4.22Å; Q30-M142 HydrophobicContact CG-SD 3.59Å; Q30-M142 VanDerWaalsContact CG-SD 3.59Å; F56-M142 HydrophobicContact CE1-CE 4.22Å; F56-M142 HydrophobicContact CE1-SD 3.7Å; F56-M142 HydrophobicContact CZ-CE 4.15Å; F56-M142 HydrophobicContact CZ-SD 3.87Å; L138-M142 HydrophobicContact CD1-CG 4.1Å; L138-M142 HydrophobicContact CD1-SD 3.94Å; L138-M142 HydrophobicContact CD2-SD 4.39Å; L138-M142 HydrophobicContact CG-CG 4.41Å; L138-M142 HydrophobicContact CG-SD 3.86Å; L138-M142 WeakPolarHBondContact O-CB 3.38Å; L138-M142 WeakPolarHBondContact O-CG 3.47Å; L138-M142 PolarHBondContact O-N 3.27Å; I139-M142 PolarHBondContact O-N 3.2Å; D140-M142 VanDerWaalsContact C-N 3.33Å; D140-M142 PolarHBondContact O-N 3.11Å
143F73.8Confident67.6Low59 Ų5965.7 Ų65.726%0.25938%0.375SS..Hα-helixtrans-108.2-21.5-168.8-66-72.6000114.4P54 F56 V75 F84 I139 D140P54-F143 HydrophobicContact CB-CE1 4.45Å; P54-F143 HydrophobicContact CB-CE2 4.14Å; P54-F143 HydrophobicContact CB-CZ 3.56Å; P54-F143 HydrophobicContact CG-CE1 4.49Å; P54-F143 HydrophobicContact CG-CE2 4.39Å; P54-F143 HydrophobicContact CG-CZ 3.88Å; F56-F143 HydrophobicContact CE2-CE2 4.42Å; F56-F143 HydrophobicContact CZ-CE2 4.09Å; V75-F143 HydrophobicContact CB-CD1 4.47Å; V75-F143 HydrophobicContact CG1-CD1 4.1Å; V75-F143 HydrophobicContact CG1-CG 4.45Å; V75-F143 HydrophobicContact CG2-CD1 3.97Å; V75-F143 HydrophobicContact CG2-CE1 3.95Å; F84-F143 HydrophobicContact CE1-CD2 4.45Å; F84-F143 HydrophobicContact CE1-CE2 4.15Å; F84-F143 AromaticContact CZ-CD2 3.9Å; F84-F143 HydrophobicContact CZ-CD2 3.9Å; F84-F143 HydrophobicContact CZ-CE2 4.04Å; I139-F143 HydrophobicContact CG2-CD2 4.08Å; I139-F143 WeakPolarHBondContact O-CD2 3.21Å; I139-F143 PolarHBondContact O-N 3.42Å; D140-F143 PolarHBondContact O-N 2.96Å
144F67.8Low65.5Low27 Ų2766.6 Ų66.612%0.11838%0.38CS..THydrogen-bonded Turntrans-121.8-27-168.2-55.6-49.3000114.6I82 K100 W102 F116 D140 S146I82-F144 HydrophobicContact CB-CZ 4.32Å; I82-F144 HydrophobicContact CD1-CE1 3.56Å; I82-F144 HydrophobicContact CD1-CZ 3.69Å; I82-F144 HydrophobicContact CG2-CZ 4.27Å; K100-F144 HydrophobicContact CB-CE2 4Å; K100-F144 HydrophobicContact CB-CZ 4.18Å; K100-F144 HydrophobicContact CD-CD1 4.02Å; K100-F144 HydrophobicContact CD-CD2 3.41Å; K100-F144 VanDerWaalsContact CD-CD2 3.41Å; K100-F144 HydrophobicContact CD-CE1 3.93Å; K100-F144 HydrophobicContact CD-CE2 3.37Å; K100-F144 HydrophobicContact CD-CG 3.75Å; K100-F144 HydrophobicContact CD-CZ 3.62Å; K100-F144 HydrophobicContact CG-CE2 4.26Å; K100-F144 HydrophobicContact CG-CZ 4.47Å; W102-F144 HydrophobicContact CH2-CD1 4.36Å; W102-F144 AromaticContact CZ2-CD1 3.4Å; W102-F144 HydrophobicContact CZ2-CD1 3.4Å; W102-F144 VanDerWaalsContact CZ2-CD1 3.4Å; W102-F144 AromaticContact CZ2-CE1 3.77Å; W102-F144 HydrophobicContact CZ2-CE1 3.77Å; W102-F144 HydrophobicContact CZ2-CG 4.12Å; W102-F144 AromaticContact NE1-CE1 3.68Å; F116-F144 HydrophobicContact CE1-CD2 4.04Å; F116-F144 HydrophobicContact CE1-CE2 4.12Å; F116-F144 AromaticContact CZ-CD2 3.95Å; F116-F144 HydrophobicContact CZ-CD2 3.95Å; F116-F144 HydrophobicContact CZ-CE2 4.42Å; D140-F144 WeakPolarHBondContact O-CB 3.4Å; D140-F144 PolarHBondContact O-N 3.08Å; D140-F144 WeakPolarHBondContact OD1-CB 3.32Å; F144-S146 PolarHBondContact O-N 3.35Å
145E64.4Low63.5Low104 Ų10472.3 Ų72.349%0.48641%0.405SS..THydrogen-bonded Turntrans-73.9-6.1175.3-69.5-164.4152.300114.2D140 F141D140-E145 PolarHBondContact O-N 2.5Å; F141-E145 WeakPolarHBondContact CD2-OE2 3.36Å
146S50.5Low61.4Low85 Ų8579.6 Ų79.659%0.59443%0.432SS*.THydrogen-bonded Turntrans-90.20.4-178.1-62.20000115.1F144F144-S146 PolarHBondContact O-N 3.35Å
147G45.8Very low59.9Low80 Ų8082.8 Ų82.883%0.82545%0.448SS*.SBendtrans-97.5-2.6-16800000118.3
148G37.8Very low58.4Low58 Ų5883.2 Ų83.260%0.59845%0.454SS*.SBendtrans-147.5120.3-17600000112.9
149G35.7Very low56.8Low72 Ų7287.6 Ų87.674%0.74248%0.479SS*.SBendtrans11114.7170.700000119.2R151G149-R151 VanDerWaalsContact C-N 3.34Å; G149-R151 PolarHBondContact O-N 2.82Å
150Q39.1Very low55Low203 Ų20392.6 Ų92.695%0.94951%0.506SS*.  trans30.154155-66.8-175.827.400117
151R40.9Very low53.3Low224 Ų22496.1 Ų96.185%0.84553%0.525SS*.PPolyproline II helixtrans-90.9128.3153.4-72.3-171.8178.1-174.61.8108.2G149 K153G149-R151 VanDerWaalsContact C-N 3.34Å; G149-R151 PolarHBondContact O-N 2.82Å; R151-K153 PolarHBondContact O-N 2.71Å; R151-K153 VanDerWaalsContact O-N 3.14Å
152P41.9Very low51.6Low114 Ų114100.7 Ų100.774%0.7455%0.552SS**PPolyproline II helixtrans-56.8124.6172.822.3-29.8000107.5L154P152-L154 PolarHBondContact O-N 3.25Å
153K48.8Very low49.8Very low81 Ų81105.1 Ų105.135%0.35258%0.578SS.*PPolyproline II helixtrans-51.3116.4171.4-71.3-177.1179.8177.40106.6D21 F141 R151 F155D21-K153 IonicContact OD1-NZ 3.21Å; D21-K153 PolarHBondContact OD1-NZ 3.4Å; D21-K153 VanDerWaalsContact OD1-NZ 3.14Å; D21-K153 IonicContact OD2-NZ 2.99Å; D21-K153 PolarHBondContact OD2-NZ 2.8Å; F141-K153 HydrophobicContact CE2-CB 4.3Å; F141-K153 HydrophobicContact CZ-CB 4.21Å; F141-K153 HydrophobicContact CZ-CD 4.14Å; F141-K153 HydrophobicContact CZ-CG 4.35Å; R151-K153 PolarHBondContact O-N 2.71Å; R151-K153 VanDerWaalsContact O-N 3.14Å; K153-F155 VanDerWaalsContact C-N 3.31Å; K153-F155 HydrophobicContact CB-CE2 4.27Å; K153-F155 HydrophobicContact CB-CZ 4.44Å; K153-F155 WeakPolarHBondContact O-CD2 3.2Å; K153-F155 PolarHBondContact O-N 3.49Å
154L48.2Very low47.9Very low89 Ų89108.6 Ų108.647%0.46660%0.602SS.*  trans-68.1100.4172.7-77.8155.4000106.2P152 W156P152-L154 PolarHBondContact O-N 3.25Å; L154-W156 HydrophobicContact CB-CD2 4.13Å; L154-W156 HydrophobicContact CB-CG 3.95Å; L154-W156 HydrophobicContact CB-CZ2 4.34Å; L154-W156 HydrophobicContact CD1-CZ2 4.04Å; L154-W156 HydrophobicContact CD2-CH2 4.12Å; L154-W156 HydrophobicContact CD2-CZ2 3.52Å; L154-W156 HydrophobicContact CG-CZ2 4.17Å; L154-W156 PolarHBondContact O-N 3.44Å
155F51.3Low46.3Very low121 Ų121115.4 Ų115.453%0.53164%0.643SS.*  trans-70.187.3171.4-69.1-82.9000107.1L18 K153L18-F155 HydrophobicContact CD2-CB 4.09Å; L18-F155 HydrophobicContact CD2-CD1 3.56Å; L18-F155 HydrophobicContact CD2-CE1 4.32Å; L18-F155 HydrophobicContact CD2-CG 4.08Å; K153-F155 VanDerWaalsContact C-N 3.31Å; K153-F155 HydrophobicContact CB-CE2 4.27Å; K153-F155 HydrophobicContact CB-CZ 4.44Å; K153-F155 WeakPolarHBondContact O-CD2 3.2Å; K153-F155 PolarHBondContact O-N 3.49Å
156W50.8Low44.6Very low154 Ų154116.5 Ų116.558%0.58366%0.657SS**  trans-980-170.9-92.7145.4000112M1 R16 L154M1-W156 HydrophobicContact CB-CB 3.76Å; M1-W156 HydrophobicContact CB-CD2 4.35Å; M1-W156 HydrophobicContact CB-CG 3.77Å; M1-W156 PolarHBondContact N-OXT 2.78Å; R16-W156 WeakPolarHBondContact CB-O 3.28Å; R16-W156 PolarHBondContact N-O 3.25Å; L154-W156 HydrophobicContact CB-CD2 4.13Å; L154-W156 HydrophobicContact CB-CG 3.95Å; L154-W156 HydrophobicContact CB-CZ2 4.34Å; L154-W156 HydrophobicContact CD1-CZ2 4.04Å; L154-W156 HydrophobicContact CD2-CH2 4.12Å; L154-W156 HydrophobicContact CD2-CZ2 3.52Å; L154-W156 HydrophobicContact CG-CZ2 4.17Å; L154-W156 PolarHBondContact O-N 3.44Å

Retrieved 156 of 156 residues in 49.1 ms (Link to these results)

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