A0A087YQG2_POEFO Loading...

Pleckstrin homology-like domain family A member 2

Plays a role in regulating placenta growth. May act via its PH domain that competes with other PH domain-containing proteins, thereby preventing their binding to membrane lipids.

AlphaFold DB , UniProt , Accession A0A087YQG2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 133 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
1T41.1Very low64.9Low190 Ų190119.9 Ų119.9100%1.16664%0.641SS**  0100.80-53.10000108.5K3T1-K3 PolarHBondContact O-N 2.86Å; T1-K3 VanDerWaalsContact O-N 3.11Å
2M40.8Very low67.3Low191 Ų191117.3 Ų117.394%0.94162%0.623SS**  trans-70.2108.6176.6-75.3177.2108.900108.1M4M2-M4 PolarHBondContact O-N 2.73Å
3K46.7Very low69.3Low199 Ų199110.1 Ų110.187%0.86559%0.593SS**  trans-73.1102.5171.3-158177.7-175.3-176.30105.2T1T1-K3 PolarHBondContact O-N 2.86Å; T1-K3 VanDerWaalsContact O-N 3.11Å
4M55Low71Confident109 Ų109105.6 Ų105.654%0.53757%0.569SS.*  trans-57.1132.7173-60.1-153.2-53.900107.2M2 A6M2-M4 PolarHBondContact O-N 2.73Å; M4-A6 PolarHBondContact O-N 3.34Å
5P53.3Low72.6Confident101 Ų10198.7 Ų98.766%0.65653%0.531SS*.  trans-55.3145169.724.5-30.2000107.5E7P5-E7 PolarHBondContact O-N 3.22Å
6A54.3Low74.1Confident94 Ų9495.5 Ų95.578%0.77751%0.512SS*.  trans-68.256.3174.900000110.6M4 E8M4-A6 PolarHBondContact O-N 3.34Å; A6-E8 PolarHBondContact O-N 3.38Å; A6-E8 VanDerWaalsContact O-N 3.12Å
7E58.5Low75.3Confident110 Ų11091.8 Ų91.851%0.51449%0.491SS..  trans-53118157.3-77.3-174141.600106.1P5 I9P5-E7 PolarHBondContact O-N 3.22Å; E7-I9 PolarHBondContact O-N 3.09Å
8E80Confident76.4Confident145 Ų14591.2 Ų91.268%0.67848%0.48SS*.  trans-33.397.6-167.4-81.5170.8127.700112.5A6 I10A6-E8 PolarHBondContact O-N 3.38Å; A6-E8 VanDerWaalsContact O-N 3.12Å; E8-I10 PolarHBondContact O-N 3.35Å
9I93.1Very high77.2Confident86 Ų8687.3 Ų87.344%0.44146%0.461SS..EExtended strand (participates in β ladder)trans-67116.1168.6-65.6173.6000105.4E7 E12 V32E7-I9 PolarHBondContact O-N 3.09Å; I9-E12 HydrophobicContact CG2-CB 4.12Å; I9-V32 HydrophobicContact CD1-CG1 4.19Å; I9-V32 HydrophobicContact CG1-CG1 3.97Å; I9-V32 HydrophobicContact CG2-CG1 3.94Å
10I95.3Very high77.7Confident71 Ų7188.7 Ų88.736%0.36447%0.469SS..EExtended strand (participates in β ladder)trans-74.9-49.8176.9-62.8175.6000108.4E8 L33 E96 A100E8-I10 PolarHBondContact O-N 3.35Å; I10-L33 HydrophobicContact CB-CD2 4.21Å; I10-L33 HydrophobicContact CB-CG 4.23Å; I10-L33 HydrophobicContact CD1-CD2 4.45Å; I10-L33 HydrophobicContact CD1-CG 4.35Å; I10-L33 HydrophobicContact CG2-CD2 4.08Å; I10-L33 PolarHBondContact N-O 3.43Å; I10-E96 WeakPolarHBondContact CG2-OE2 3.35Å; I10-A100 HydrophobicContact CD1-CB 3.7Å
11I95.3Very high78Confident23 Ų2387.2 Ų87.212%0.11847%0.466CS..EExtended strand (participates in β ladder)trans-151.5140.8176.9-179.1171.4000110.4L33 A91 W93 E96I11-L33 HydrophobicContact CG2-CB 3.62Å; I11-L33 HydrophobicContact CG2-CD2 3.8Å; I11-L33 HydrophobicContact CG2-CG 4.33Å; I11-L33 PolarHBondContact O-N 2.85Å; I11-A91 HydrophobicContact CD1-CB 3.46Å; I11-A91 VanDerWaalsContact CD1-CB 3.46Å; I11-W93 HydrophobicContact CD1-CD2 4.11Å; I11-W93 HydrophobicContact CD1-CE3 4.43Å; I11-W93 HydrophobicContact CD1-CH2 4.47Å; I11-W93 HydrophobicContact CD1-CZ2 4.15Å; I11-W93 HydrophobicContact CG1-CH2 4.08Å; I11-W93 HydrophobicContact CG1-CZ2 4.07Å; I11-W93 HydrophobicContact CG1-CZ3 4.43Å; I11-W93 HydrophobicContact CG2-CE3 3.93Å; I11-W93 HydrophobicContact CG2-CH2 4.03Å; I11-W93 HydrophobicContact CG2-CZ3 3.61Å; I11-E96 HydrophobicContact CD1-CG 4.35Å; I11-E96 HydrophobicContact CG2-CB 3.98Å; I11-E96 HydrophobicContact CG2-CG 4.25Å
12E94.3Very high80.1Confident89 Ų8987.7 Ų87.742%0.41645%0.452SS..EExtended strand (participates in β ladder)trans-125.7141.4168.3172.8171.717400109.5I9 C31 V32 R46I9-E12 HydrophobicContact CG2-CB 4.12Å; E12-C31 WeakPolarHBondContact CA-O 3.39Å; E12-V32 HydrophobicContact CB-CG2 4.21Å; E12-V32 HydrophobicContact CG-CG2 3.85Å; E12-R46 IonicContact OE1-CZ 3.67Å; E12-R46 IonicContact OE1-NH2 2.59Å; E12-R46 PolarHBondContact OE1-NH2 3.03Å; E12-R46 IonicContact OE2-NH2 2.92Å; E12-R46 PolarHBondContact OE2-NH2 3.29Å
13G93.4Very high82.4Confident23 Ų2383.7 Ų83.724%0.23743%0.434CS..EExtended strand (participates in β ladder)trans167.1-160.1175.800000112C31G13-C31 PolarHBondContact N-O 3.21Å; G13-C31 PolarHBondContact O-N 3.14Å
14D93.6Very high84.4Confident48 Ų4879.4 Ų79.426%0.25742%0.417SS..EExtended strand (participates in β ladder)trans-99.5137.8-176.4-66.4-47.3000112.4K28 K29 T30 Q90 W93D14-K28 VanDerWaalsContact CB-CE 3.42Å; D14-K28 HydrophobicContact CB-CG 4.32Å; D14-K28 WeakPolarHBondContact OD1-CE 3.42Å; D14-K28 WeakPolarHBondContact OD2-CE 3.46Å; D14-K28 IonicContact OD2-NZ 3.04Å; D14-K28 PolarHBondContact OD2-NZ 3.41Å; D14-K29 WeakPolarHBondContact CA-O 3.44Å; D14-T30 PolarHBondContact OD1-OG1 2.79Å; D14-Q90 PolarHBondContact O-OE1 3.08Å; D14-Q90 VanDerWaalsContact O-OE1 3.14Å; D14-W93 PolarHBondContact O-NE1 2.95Å
15L94.9Very high86.2Confident1 Ų179.8 Ų79.81%0.00542%0.416CS..EExtended strand (participates in β ladder)trans-127.6146.9167.3-76.8178.7000109.5K28 K29 C31 F72 F84 Y86 W93L15-K28 CarbonylContact O-C 3.55Å; L15-K29 PolarHBondContact N-O 3.48Å; L15-K29 PolarHBondContact O-N 3.42Å; L15-C31 HydrophobicContact CB-CB 4.5Å; L15-C31 HydrophobicContact CD1-CB 4.09Å; L15-C31 HydrophobicContact CG-CB 4.33Å; L15-F72 HydrophobicContact CD1-CZ 4.08Å; L15-F72 HydrophobicContact CD2-CE1 4.07Å; L15-F72 HydrophobicContact CD2-CZ 4.25Å; L15-F84 HydrophobicContact CB-CD1 4.16Å; L15-F84 HydrophobicContact CD1-CD1 4.12Å; L15-Y86 HydrophobicContact CD2-CD1 4.02Å; L15-Y86 HydrophobicContact CD2-CG 4.2Å; L15-W93 HydrophobicContact CD1-CD2 3.82Å; L15-W93 HydrophobicContact CD1-CE3 3.73Å; L15-W93 HydrophobicContact CD1-CG 4.26Å; L15-W93 HydrophobicContact CD1-CZ3 4.13Å; L15-W93 HydrophobicContact CD2-CB 3.78Å; L15-W93 VanDerWaalsContact CD2-CD1 3.42Å; L15-W93 HydrophobicContact CD2-CD2 3.69Å; L15-W93 HydrophobicContact CD2-CE3 4.44Å; L15-W93 HydrophobicContact CD2-CG 3.36Å; L15-W93 HydrophobicContact CG-CD2 3.72Å; L15-W93 HydrophobicContact CG-CE3 4.13Å; L15-W93 HydrophobicContact CG-CG 3.97Å; L15-W93 HydrophobicContact CG-CZ2 4.25Å
16E95.3Very high88.2Confident48 Ų4878 Ų7822%0.22440%0.396CS..EExtended strand (participates in β ladder)trans-97.2118.7167.9-59.4-163.5127.100109.8W26 K27 F84 R85E16-W26 HydrophobicContact CB-CB 4.2Å; E16-W26 HydrophobicContact CB-CE3 4.25Å; E16-K27 WeakPolarHBondContact CA-O 3.33Å; E16-F84 CarbonylContact O-C 3.5Å; E16-F84 VanDerWaalsContact O-CA 3.23Å; E16-F84 WeakPolarHBondContact O-CA 3.48Å; E16-R85 HydrophobicContact CB-CG 3.87Å; E16-R85 PolarHBondContact N-O 2.88Å; E16-R85 PolarHBondContact O-N 2.91Å; E16-R85 IonicContact OE2-CZ 3.6Å; E16-R85 IonicContact OE2-NE 2.91Å; E16-R85 PolarHBondContact OE2-NE 3.03Å; E16-R85 IonicContact OE2-NH2 2.71Å; E16-R85 PolarHBondContact OE2-NH2 2.86Å
17K95.5Very high90Very high33 Ų3378.9 Ų78.914%0.14338%0.382CS..EExtended strand (participates in β ladder)trans-93.3133.5175-173.1-161.6169.8-64.50109.8D20 K27 K29 I82 F84K17-D20 IonicContact NZ-OD1 2.79Å; K17-D20 PolarHBondContact NZ-OD1 3.49Å; K17-K27 PolarHBondContact N-O 3.46Å; K17-K27 PolarHBondContact O-N 3.14Å; K17-K29 HydrophobicContact CB-CG 4.22Å; K17-I82 HydrophobicContact CD-CG2 4.22Å; K17-I82 HydrophobicContact CG-CG2 4.06Å; K17-F84 HydrophobicContact CB-CD1 3.96Å; K17-F84 HydrophobicContact CB-CE1 3.77Å; K17-F84 HydrophobicContact CG-CD1 4.23Å; K17-F84 HydrophobicContact CG-CE1 3.81Å; K17-F84 HydrophobicContact CG-CZ 4.2Å
18R95.3Very high91.7Very high81 Ų8179.6 Ų79.631%0.30638%0.384SS..EExtended strand (participates in β ladder)trans-67.5134.9169.7-164.9160.470.2162.6-3.5110.3Q24 W26 D83R18-Q24 HydrophobicContact CG-CB 4.42Å; R18-W26 HydrophobicContact CB-CD2 4.31Å; R18-W26 HydrophobicContact CB-CE3 3.88Å; R18-W26 HydrophobicContact CB-CH2 3.82Å; R18-W26 HydrophobicContact CB-CZ2 4.24Å; R18-W26 HydrophobicContact CB-CZ3 3.62Å; R18-W26 HydrophobicContact CG-CH2 4.39Å; R18-W26 HydrophobicContact CG-CZ2 4.34Å; R18-D83 HydrophobicContact CB-CB 3.86Å; R18-D83 IonicContact CZ-OD2 3.35Å; R18-D83 PolarHBondContact N-O 2.65Å; R18-D83 IonicContact NE-OD2 2.62Å; R18-D83 PolarHBondContact NE-OD2 3.41Å; R18-D83 IonicContact NH2-OD1 3.48Å; R18-D83 IonicContact NH2-OD2 2.95Å; R18-D83 PolarHBondContact NH2-OD2 3.16Å
19S91.7Very high92.4Very high16 Ų1674.5 Ų74.511%0.11236%0.359CS..PPolyproline II helixtrans-79.9140.5176.979.90000111S21 F25S19-S21 PolarHBondContact O-N 3.01Å; S19-S21 PolarHBondContact OG-OG 3.33Å; S19-F25 WeakPolarHBondContact CB-O 3.38Å; S19-F25 PolarHBondContact N-O 3.02Å; S19-F25 PolarHBondContact OG-N 3.29Å; S19-F25 VanDerWaalsContact OG-N 3.16Å; S19-F25 PolarHBondContact OG-O 3.01Å
20D86.1Confident92.4Very high115 Ų11571.1 Ų71.162%0.61534%0.343SS*.SBendtrans-7616.8175.7-45.715.5000111.7K17 K80K17-D20 IonicContact NZ-OD1 2.79Å; K17-D20 PolarHBondContact NZ-OD1 3.49Å; D20-K80 IonicContact OD2-NZ 2.69Å; D20-K80 PolarHBondContact OD2-NZ 2.9Å
21S85.3Confident92.4Very high58 Ų5867.8 Ų67.841%0.40633%0.325SS..SBendtrans-95.3162.3-178.174.80000111.3S19 L23 Q24S19-S21 PolarHBondContact O-N 3.01Å; S19-S21 PolarHBondContact OG-OG 3.33Å; S21-L23 PolarHBondContact O-N 3.13Å; S21-Q24 WeakPolarHBondContact O-CG 3.24Å; S21-Q24 PolarHBondContact O-N 3.33Å
22F84.4Confident92.4Very high201 Ų20166.7 Ų66.788%0.88232%0.32SS*.THydrogen-bonded Turntrans-51-34.3-179179.9-102.8000113.9Q24F22-Q24 VanDerWaalsContact C-N 3.34Å
23L88.8Confident92.6Very high106 Ų10662.5 Ų62.556%0.55530%0.3SS*.THydrogen-bonded Turntrans-84.8-5.1-177.9-61.1173.3000114.1S21 F25S21-L23 PolarHBondContact O-N 3.13Å; L23-F25 HydrophobicContact CB-CD1 4.49Å; L23-F25 HydrophobicContact CB-CD2 3.73Å; L23-F25 HydrophobicContact CB-CE1 4.17Å; L23-F25 HydrophobicContact CB-CE2 3.37Å; L23-F25 HydrophobicContact CB-CG 4.29Å; L23-F25 HydrophobicContact CB-CZ 3.62Å; L23-F25 HydrophobicContact CD1-CD2 4.38Å; L23-F25 HydrophobicContact CD1-CE2 3.39Å; L23-F25 HydrophobicContact CD1-CZ 3.75Å; L23-F25 HydrophobicContact CG-CE2 3.99Å; L23-F25 HydrophobicContact CG-CZ 4.18Å; L23-F25 PolarHBondContact O-N 3.4Å
24Q88.3Confident92.7Very high110 Ų11061.9 Ų61.951%0.51429%0.292SS..  trans46.535.9174.1-60.8-168.5-4.200115.6R18 S21 F22R18-Q24 HydrophobicContact CG-CB 4.42Å; S21-Q24 WeakPolarHBondContact O-CG 3.24Å; S21-Q24 PolarHBondContact O-N 3.33Å; F22-Q24 VanDerWaalsContact C-N 3.34Å
25F93.9Very high92.8Very high116 Ų11663.3 Ų63.351%0.50930%0.296SS..  trans-67.5145-178.1-65.2-51000113.4S19 L23S19-F25 WeakPolarHBondContact CB-O 3.38Å; S19-F25 PolarHBondContact N-O 3.02Å; S19-F25 PolarHBondContact OG-N 3.29Å; S19-F25 VanDerWaalsContact OG-N 3.16Å; S19-F25 PolarHBondContact OG-O 3.01Å; L23-F25 HydrophobicContact CB-CD1 4.49Å; L23-F25 HydrophobicContact CB-CD2 3.73Å; L23-F25 HydrophobicContact CB-CE1 4.17Å; L23-F25 HydrophobicContact CB-CE2 3.37Å; L23-F25 HydrophobicContact CB-CG 4.29Å; L23-F25 HydrophobicContact CB-CZ 3.62Å; L23-F25 HydrophobicContact CD1-CD2 4.38Å; L23-F25 HydrophobicContact CD1-CE2 3.39Å; L23-F25 HydrophobicContact CD1-CZ 3.75Å; L23-F25 HydrophobicContact CG-CE2 3.99Å; L23-F25 HydrophobicContact CG-CZ 4.18Å; L23-F25 PolarHBondContact O-N 3.4Å
26W94.4Very high92.9Very high63 Ų6365.6 Ų65.624%0.23931%0.308CS..EExtended strand (participates in β ladder)trans-81125.9168.3-64.199.5000109.9E16 R18 Y71 D83 R85E16-W26 HydrophobicContact CB-CB 4.2Å; E16-W26 HydrophobicContact CB-CE3 4.25Å; R18-W26 HydrophobicContact CB-CD2 4.31Å; R18-W26 HydrophobicContact CB-CE3 3.88Å; R18-W26 HydrophobicContact CB-CH2 3.82Å; R18-W26 HydrophobicContact CB-CZ2 4.24Å; R18-W26 HydrophobicContact CB-CZ3 3.62Å; R18-W26 HydrophobicContact CG-CH2 4.39Å; R18-W26 HydrophobicContact CG-CZ2 4.34Å; W26-Y71 AromaticContact CH2-CD1 3.89Å; W26-Y71 HydrophobicContact CH2-CD1 3.89Å; W26-Y71 HydrophobicContact CH2-CE1 4.2Å; W26-Y71 AromaticContact CZ2-CD1 3.78Å; W26-Y71 HydrophobicContact CZ2-CD1 3.78Å; W26-Y71 AromaticContact CZ2-CE1 3.65Å; W26-Y71 HydrophobicContact CZ2-CE1 3.65Å; W26-D83 HydrophobicContact CH2-CB 3.9Å; W26-D83 HydrophobicContact CZ3-CB 4.28Å; W26-R85 HydrophobicContact CD2-CG 3.93Å; W26-R85 HydrophobicContact CE3-CB 4.35Å; W26-R85 HydrophobicContact CE3-CG 3.63Å; W26-R85 VanDerWaalsContact CG-NE 3.34Å; W26-R85 HydrophobicContact CH2-CB 4.25Å; W26-R85 HydrophobicContact CH2-CG 4.3Å; W26-R85 HydrophobicContact CZ3-CB 4.04Å; W26-R85 HydrophobicContact CZ3-CG 3.83Å
27K93.7Very high93Very high113 Ų11363.5 Ų63.549%0.49130%0.299SS..EExtended strand (participates in β ladder)trans-119.8121.5178.7-65-173.9180-176.80109.5E16 K17E16-K27 WeakPolarHBondContact CA-O 3.33Å; K17-K27 PolarHBondContact N-O 3.46Å; K17-K27 PolarHBondContact O-N 3.14Å
28K93.7Very high93Very high125 Ų12562 Ų6254%0.54329%0.292SS..EExtended strand (participates in β ladder)trans-56.5135.6171.1-167.1173.5-178.7-1780111.1D14 L15D14-K28 VanDerWaalsContact CB-CE 3.42Å; D14-K28 HydrophobicContact CB-CG 4.32Å; D14-K28 WeakPolarHBondContact OD1-CE 3.42Å; D14-K28 WeakPolarHBondContact OD2-CE 3.46Å; D14-K28 IonicContact OD2-NZ 3.04Å; D14-K28 PolarHBondContact OD2-NZ 3.41Å; L15-K28 CarbonylContact O-C 3.55Å
29K94.1Very high93Very high39 Ų3958.8 Ų58.817%0.1728%0.281CS..EExtended strand (participates in β ladder)trans-139.5137.7-179.2-63.9-72.8154.3-95.30107.7D14 L15 K17 I40 Y41 A42D14-K29 WeakPolarHBondContact CA-O 3.44Å; L15-K29 PolarHBondContact N-O 3.48Å; L15-K29 PolarHBondContact O-N 3.42Å; K17-K29 HydrophobicContact CB-CG 4.22Å; K29-I40 HydrophobicContact CB-CG2 3.79Å; K29-I40 HydrophobicContact CD-CG2 3.92Å; K29-I40 HydrophobicContact CG-CG2 3.79Å; K29-Y41 VanDerWaalsContact CD-O 3.24Å; K29-Y41 WeakPolarHBondContact CD-O 3.41Å; K29-A42 PolarHBondContact NZ-O 3.12Å
30T94.3Very high93.2Very high15 Ų1558.6 Ų58.69%0.09228%0.279CS..EExtended strand (participates in β ladder)trans-80.6127.5166.1-570000107.1D14 Y41D14-T30 PolarHBondContact OD1-OG1 2.79Å; T30-Y41 PolarHBondContact N-O 3.05Å; T30-Y41 WeakPolarHBondContact O-CB 3.33Å; T30-Y41 WeakPolarHBondContact O-CD2 3.42Å; T30-Y41 PolarHBondContact O-N 2.94Å
31C95.2Very high93.5Very high0 Ų053.7 Ų53.70%025%0.252CS..EExtended strand (participates in β ladder)trans-123.1143-175.3-70.70000110.2E12 G13 L15 L38 N39 W93E12-C31 WeakPolarHBondContact CA-O 3.39Å; G13-C31 PolarHBondContact N-O 3.21Å; G13-C31 PolarHBondContact O-N 3.14Å; L15-C31 HydrophobicContact CB-CB 4.5Å; L15-C31 HydrophobicContact CD1-CB 4.09Å; L15-C31 HydrophobicContact CG-CB 4.33Å; C31-L38 HydrophobicContact CB-CD1 4.12Å; C31-N39 CarbonylContact C-O 3.56Å; C31-N39 VanDerWaalsContact CA-O 3.23Å; C31-N39 WeakPolarHBondContact CA-O 3.43Å; C31-W93 HydrophobicContact CB-CH2 3.72Å; C31-W93 HydrophobicContact CB-CZ2 4.32Å; C31-W93 HydrophobicContact CB-CZ3 4.11Å
32V95.3Very high93.5Very high1 Ų153.4 Ų53.41%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-129.7117.6174.6-1790000107.7I9 E12 T34 N39 Y41I9-V32 HydrophobicContact CD1-CG1 4.19Å; I9-V32 HydrophobicContact CG1-CG1 3.97Å; I9-V32 HydrophobicContact CG2-CG1 3.94Å; E12-V32 HydrophobicContact CB-CG2 4.21Å; E12-V32 HydrophobicContact CG-CG2 3.85Å; V32-T34 HydrophobicContact CG1-CG2 4.39Å; V32-N39 HydrophobicContact CB-CB 4.37Å; V32-N39 PolarHBondContact N-O 3.48Å; V32-N39 PolarHBondContact O-N 2.9Å; V32-Y41 HydrophobicContact CB-CE2 4.32Å; V32-Y41 HydrophobicContact CG2-CD2 4.5Å; V32-Y41 HydrophobicContact CG2-CE2 3.84Å
33L97.2Very high93Very high0 Ų046.5 Ų46.50%023%0.225CC..EExtended strand (participates in β ladder)trans-95130173.2-177.866.1000109.5I10 I11 L38 L54 W93 E96 I97 A100I10-L33 HydrophobicContact CB-CD2 4.21Å; I10-L33 HydrophobicContact CB-CG 4.23Å; I10-L33 HydrophobicContact CD1-CD2 4.45Å; I10-L33 HydrophobicContact CD1-CG 4.35Å; I10-L33 HydrophobicContact CG2-CD2 4.08Å; I10-L33 PolarHBondContact N-O 3.43Å; I11-L33 HydrophobicContact CG2-CB 3.62Å; I11-L33 HydrophobicContact CG2-CD2 3.8Å; I11-L33 HydrophobicContact CG2-CG 4.33Å; I11-L33 PolarHBondContact O-N 2.85Å; L33-L38 HydrophobicContact CB-CD1 4.31Å; L33-L38 HydrophobicContact CD1-CB 4.27Å; L33-L38 HydrophobicContact CD1-CD1 4.39Å; L33-L54 HydrophobicContact CD1-CD2 4.48Å; L33-W93 HydrophobicContact CB-CZ3 4.26Å; L33-E96 HydrophobicContact CD2-CB 4.01Å; L33-I97 HydrophobicContact CD1-CG1 4.25Å; L33-I97 HydrophobicContact CD2-CB 4.48Å; L33-I97 HydrophobicContact CD2-CG1 3.93Å; L33-A100 HydrophobicContact CD1-CB 4.29Å; L33-A100 HydrophobicContact CD2-CB 4Å; L33-A100 HydrophobicContact CG-CB 4.36Å
34T96.3Very high92Very high10 Ų1047.5 Ų47.56%0.06124%0.235CC..EExtended strand (participates in β ladder)trans-119178.7170.272.20000109.6V32 D36 S37V32-T34 HydrophobicContact CG1-CG2 4.39Å; T34-D36 PolarHBondContact O-N 3.34Å; T34-D36 VanDerWaalsContact O-N 3.11Å; T34-D36 PolarHBondContact OG1-N 3.15Å; T34-S37 PolarHBondContact N-O 3.45Å; T34-S37 PolarHBondContact OG1-N 2.96Å; T34-S37 PolarHBondContact OG1-O 3.13Å
35K95.8Very high91.2Very high79 Ų7951.2 Ų51.234%0.34325%0.25SC..SBendtrans-61.6-12.7172.976.5-171.5-177.9-175.90114.6L54K35-L54 WeakPolarHBondContact O-CD1 3.4Å
36D96Very high90.3Very high48 Ų4850.8 Ų50.826%0.25725%0.245SC..SBendtrans-127-24.2-172.1-63.2-47.3000113.9T34 L54 R107T34-D36 PolarHBondContact O-N 3.34Å; T34-D36 VanDerWaalsContact O-N 3.11Å; T34-D36 PolarHBondContact OG1-N 3.15Å; D36-L54 PolarHBondContact O-N 2.97Å; D36-R107 IonicContact OD1-CZ 3.29Å; D36-R107 IonicContact OD1-NH1 2.66Å; D36-R107 PolarHBondContact OD1-NH1 3.49Å; D36-R107 IonicContact OD1-NH2 2.7Å; D36-R107 PolarHBondContact OD1-NH2 2.81Å
37S97Very high89.1Confident5 Ų551.9 Ų51.94%0.03526%0.262CS..EExtended strand (participates in β ladder)trans-154.4156.8-179.562.80000115.1T34 N39 E51 L52T34-S37 PolarHBondContact N-O 3.45Å; T34-S37 PolarHBondContact OG1-N 2.96Å; T34-S37 PolarHBondContact OG1-O 3.13Å; S37-N39 PolarHBondContact OG-ND2 3.43Å; S37-N39 VanDerWaalsContact OG-ND2 3.08Å; S37-E51 VanDerWaalsContact CB-OE1 3.24Å; S37-E51 WeakPolarHBondContact CB-OE1 3.32Å; S37-E51 PolarHBondContact OG-OE1 2.7Å; S37-L52 WeakPolarHBondContact CA-O 3.44Å
38L97.4Very high88.1Confident0 Ų054 Ų540%027%0.271CS..EExtended strand (participates in β ladder)trans-99.5110163.3178.365.7000108.7C31 L33 I40 L52 I74 F84 W93 I97C31-L38 HydrophobicContact CB-CD1 4.12Å; L33-L38 HydrophobicContact CB-CD1 4.31Å; L33-L38 HydrophobicContact CD1-CB 4.27Å; L33-L38 HydrophobicContact CD1-CD1 4.39Å; L38-I40 HydrophobicContact CD2-CD1 4.38Å; L38-I40 HydrophobicContact CD2-CG1 4.38Å; L38-I40 HydrophobicContact CG-CG1 4.11Å; L38-L52 HydrophobicContact CB-CB 4.43Å; L38-L52 PolarHBondContact N-O 2.76Å; L38-L52 PolarHBondContact O-N 3.44Å; L38-I74 HydrophobicContact CD2-CD1 3.83Å; L38-F84 HydrophobicContact CD2-CZ 4.42Å; L38-W93 HydrophobicContact CD1-CZ3 4.16Å; L38-I97 HydrophobicContact CD2-CD1 4.19Å
39N95.3Very high87.7Confident14 Ų1451.8 Ų51.88%0.07527%0.268CS..EExtended strand (participates in β ladder)trans-91.8122.4177.8-68.2-79.4000109.9C31 V32 S37 Y41 V49C31-N39 CarbonylContact C-O 3.56Å; C31-N39 VanDerWaalsContact CA-O 3.23Å; C31-N39 WeakPolarHBondContact CA-O 3.43Å; V32-N39 HydrophobicContact CB-CB 4.37Å; V32-N39 PolarHBondContact N-O 3.48Å; V32-N39 PolarHBondContact O-N 2.9Å; S37-N39 PolarHBondContact OG-ND2 3.43Å; S37-N39 VanDerWaalsContact OG-ND2 3.08Å; N39-Y41 HydrophobicContact CB-CE2 3.77Å; N39-V49 HydrophobicContact CB-CG2 4.07Å
40I95.3Very high87.5Confident12 Ų1255.3 Ų55.36%0.06228%0.283CS..EExtended strand (participates in β ladder)trans-114.5111.4-174.9-53.3167.6000108.7K29 L38 K50 F84K29-I40 HydrophobicContact CB-CG2 3.79Å; K29-I40 HydrophobicContact CD-CG2 3.92Å; K29-I40 HydrophobicContact CG-CG2 3.79Å; L38-I40 HydrophobicContact CD2-CD1 4.38Å; L38-I40 HydrophobicContact CD2-CG1 4.38Å; L38-I40 HydrophobicContact CG-CG1 4.11Å; I40-K50 PolarHBondContact N-O 3.44Å; I40-K50 PolarHBondContact O-N 2.8Å; I40-F84 HydrophobicContact CD1-CE1 4.1Å; I40-F84 HydrophobicContact CD1-CZ 3.71Å
41Y92.9Very high87.5Confident13 Ų1359.1 Ų59.15%0.05130%0.3CS..EExtended strand (participates in β ladder)trans-96.8134.4-177.9-60.4-85.1000111.2K29 T30 V32 N39 D43 R46 K48 V49K29-Y41 VanDerWaalsContact CD-O 3.24Å; K29-Y41 WeakPolarHBondContact CD-O 3.41Å; T30-Y41 PolarHBondContact N-O 3.05Å; T30-Y41 WeakPolarHBondContact O-CB 3.33Å; T30-Y41 WeakPolarHBondContact O-CD2 3.42Å; T30-Y41 PolarHBondContact O-N 2.94Å; V32-Y41 HydrophobicContact CB-CE2 4.32Å; V32-Y41 HydrophobicContact CG2-CD2 4.5Å; V32-Y41 HydrophobicContact CG2-CE2 3.84Å; N39-Y41 HydrophobicContact CB-CE2 3.77Å; Y41-D43 VanDerWaalsContact C-N 3.29Å; Y41-D43 PolarHBondContact O-N 3.28Å; Y41-R46 HydrophobicContact CD1-CB 3.46Å; Y41-R46 VanDerWaalsContact CD1-CB 3.46Å; Y41-R46 HydrophobicContact CD1-CG 3.75Å; Y41-R46 HydrophobicContact CD2-CG 4.27Å; Y41-R46 HydrophobicContact CE1-CB 3.73Å; Y41-R46 HydrophobicContact CE1-CG 4.03Å; Y41-R46 HydrophobicContact CG-CB 4.07Å; Y41-R46 HydrophobicContact CG-CG 3.87Å; Y41-K48 WeakPolarHBondContact CA-O 3.14Å; Y41-V49 HydrophobicContact CD1-CB 3.85Å; Y41-V49 HydrophobicContact CD1-CG2 4.01Å; Y41-V49 HydrophobicContact CE1-CB 3.62Å; Y41-V49 HydrophobicContact CE1-CG2 3.57Å
42A83.9Confident87.6Confident51 Ų5159.8 Ų59.842%0.42130%0.304SS..SBendtrans-66.4-32.6-179.600000113K29 K48K29-A42 PolarHBondContact NZ-O 3.12Å; A42-K48 HydrophobicContact CB-CB 4.18Å; A42-K48 PolarHBondContact N-O 2.93Å
43D75.1Confident87.7Confident57 Ų5763.9 Ų63.931%0.30532%0.322SS..SBendtrans-141166.7-178.46422.8000112.1Y41 K45 R46 S47Y41-D43 VanDerWaalsContact C-N 3.29Å; Y41-D43 PolarHBondContact O-N 3.28Å; D43-K45 PolarHBondContact O-N 3.07Å; D43-K45 VanDerWaalsContact OD1-C 3.31Å; D43-K45 WeakPolarHBondContact OD1-CA 3.33Å; D43-K45 PolarHBondContact OD1-N 3.39Å; D43-R46 PolarHBondContact O-N 3.22Å; D43-R46 PolarHBondContact OD1-N 2.66Å; D43-S47 PolarHBondContact OD1-N 2.95Å; D43-S47 PolarHBondContact OD1-OG 3.19Å; D43-S47 VanDerWaalsContact OD1-OG 3.13Å; D43-S47 PolarHBondContact OD2-OG 3Å
44V66.3Low87.7Confident126 Ų12664 Ų6476%0.76432%0.322SS*.THydrogen-bonded Turntrans-64.5-23.4177.7-173.80000111.8R46V44-R46 PolarHBondContact O-N 3.42Å
45K72.4Confident87.8Confident188 Ų18868.1 Ų68.182%0.81734%0.34SS*.THydrogen-bonded Turntrans-74.7-1.6175.8-63.7-175.6179.6-179.70112.5D43 S47D43-K45 PolarHBondContact O-N 3.07Å; D43-K45 VanDerWaalsContact OD1-C 3.31Å; D43-K45 WeakPolarHBondContact OD1-CA 3.33Å; D43-K45 PolarHBondContact OD1-N 3.39Å; K45-S47 PolarHBondContact O-N 3.04Å; K45-S47 VanDerWaalsContact O-N 3.13Å
46R75Confident87.9Confident107 Ų10766.1 Ų66.140%0.40434%0.337SS..  trans51.932.2-178.7-60.4-172.6-173176.61.8112.5E12 Y41 D43 V44 K48E12-R46 IonicContact OE1-CZ 3.67Å; E12-R46 IonicContact OE1-NH2 2.59Å; E12-R46 PolarHBondContact OE1-NH2 3.03Å; E12-R46 IonicContact OE2-NH2 2.92Å; E12-R46 PolarHBondContact OE2-NH2 3.29Å; Y41-R46 HydrophobicContact CD1-CB 3.46Å; Y41-R46 VanDerWaalsContact CD1-CB 3.46Å; Y41-R46 HydrophobicContact CD1-CG 3.75Å; Y41-R46 HydrophobicContact CD2-CG 4.27Å; Y41-R46 HydrophobicContact CE1-CB 3.73Å; Y41-R46 HydrophobicContact CE1-CG 4.03Å; Y41-R46 HydrophobicContact CG-CB 4.07Å; Y41-R46 HydrophobicContact CG-CG 3.87Å; D43-R46 PolarHBondContact O-N 3.22Å; D43-R46 PolarHBondContact OD1-N 2.66Å; V44-R46 PolarHBondContact O-N 3.42Å; R46-K48 VanDerWaalsContact C-N 3.34Å; R46-K48 PolarHBondContact O-N 2.95Å
47S68.8Low88Confident87 Ų8763.9 Ų63.961%0.60833%0.325SS*.  trans-73.2-27.3-169.967.90000113.3D43 K45D43-S47 PolarHBondContact OD1-N 2.95Å; D43-S47 PolarHBondContact OD1-OG 3.19Å; D43-S47 VanDerWaalsContact OD1-OG 3.13Å; D43-S47 PolarHBondContact OD2-OG 3Å; K45-S47 PolarHBondContact O-N 3.04Å; K45-S47 VanDerWaalsContact O-N 3.13Å
48K73.1Confident88Confident156 Ų15668.4 Ų68.468%0.67834%0.344SS*.SBendtrans-136.9115.9178.4-172.5172.9-176.6172.90109.8Y41 A42 R46Y41-K48 WeakPolarHBondContact CA-O 3.14Å; A42-K48 HydrophobicContact CB-CB 4.18Å; A42-K48 PolarHBondContact N-O 2.93Å; R46-K48 VanDerWaalsContact C-N 3.34Å; R46-K48 PolarHBondContact O-N 2.95Å
49V84.3Confident87.9Confident79 Ų7972.7 Ų72.748%0.47936%0.362SS..EExtended strand (participates in β ladder)trans-103.7134.9178.865.70000110.3N39 Y41N39-V49 HydrophobicContact CB-CG2 4.07Å; Y41-V49 HydrophobicContact CD1-CB 3.85Å; Y41-V49 HydrophobicContact CD1-CG2 4.01Å; Y41-V49 HydrophobicContact CE1-CB 3.62Å; Y41-V49 HydrophobicContact CE1-CG2 3.57Å
50K91.4Very high88Confident113 Ų11373.2 Ų73.249%0.49137%0.366SS..EExtended strand (participates in β ladder)trans-109.7114.6159.2-176.6172.7-177.8173.90107.3I40I40-K50 PolarHBondContact N-O 3.44Å; I40-K50 PolarHBondContact O-N 2.8Å
51E94.6Very high87.8Confident95 Ų9575.1 Ų75.144%0.44438%0.376SS..EExtended strand (participates in β ladder)trans-86.2127.4174.3-174.3-177.3-15000109.6S37 K53S37-E51 VanDerWaalsContact CB-OE1 3.24Å; S37-E51 WeakPolarHBondContact CB-OE1 3.32Å; S37-E51 PolarHBondContact OG-OE1 2.7Å; E51-K53 HydrophobicContact CG-CG 4.11Å; E51-K53 WeakPolarHBondContact OE2-CE 3.29Å
52L96.6Very high87.3Confident14 Ų1478.6 Ų78.67%0.07340%0.402CS..EExtended strand (participates in β ladder)trans-110.1102167.2-178.664.6000108.5S37 L38 I57 I74 T76 I82S37-L52 WeakPolarHBondContact CA-O 3.44Å; L38-L52 HydrophobicContact CB-CB 4.43Å; L38-L52 PolarHBondContact N-O 2.76Å; L38-L52 PolarHBondContact O-N 3.44Å; L52-I57 HydrophobicContact CD1-CG1 4.45Å; L52-I57 HydrophobicContact CD2-CD1 4.01Å; L52-I57 HydrophobicContact CD2-CG1 4.17Å; L52-I57 HydrophobicContact CG-CD1 4.12Å; L52-I57 HydrophobicContact CG-CG1 4.07Å; L52-I74 HydrophobicContact CD2-CD1 3.99Å; L52-I74 HydrophobicContact CD2-CG2 3.92Å; L52-T76 HydrophobicContact CD1-CG2 3.97Å; L52-I82 HydrophobicContact CD1-CD1 4.42Å; L52-I82 HydrophobicContact CD2-CD1 4.11Å
53K97.1Very high86.7Confident88 Ų8879.3 Ų79.338%0.38340%0.401SS..EExtended strand (participates in β ladder)trans-71.1137.6-178.3-62.5-175176.2-171.70110.8E51 Q55 S56E51-K53 HydrophobicContact CG-CG 4.11Å; E51-K53 WeakPolarHBondContact OE2-CE 3.29Å; K53-Q55 HydrophobicContact CB-CG 3.76Å; K53-Q55 HydrophobicContact CD-CG 4.37Å; K53-Q55 PolarHBondContact O-N 3.11Å; K53-S56 WeakPolarHBondContact O-CB 3.34Å; K53-S56 PolarHBondContact O-N 2.47Å; K53-S56 PolarHBondContact O-OG 3.06Å
54L97.7Very high87.3Confident1 Ų183.1 Ų83.11%0.00542%0.416CS..G310 helixtrans-57.6-33.3176.8-64.6-173.9000111.9L33 K35 D36 S56 I57 A100 L101 Y104L33-L54 HydrophobicContact CD1-CD2 4.48Å; K35-L54 WeakPolarHBondContact O-CD1 3.4Å; D36-L54 PolarHBondContact O-N 2.97Å; L54-S56 PolarHBondContact O-N 3.35Å; L54-S56 VanDerWaalsContact O-N 3.09Å; L54-I57 HydrophobicContact CD2-CD1 3.76Å; L54-I57 PolarHBondContact O-N 2.83Å; L54-A100 HydrophobicContact CD1-CB 4.02Å; L54-L101 HydrophobicContact CB-CD1 4.4Å; L54-Y104 HydrophobicContact CB-CD1 4.17Å; L54-Y104 HydrophobicContact CB-CD2 4.13Å; L54-Y104 HydrophobicContact CB-CG 3.89Å; L54-Y104 HydrophobicContact CD1-CG 4.35Å
55Q97.4Very high88.4Confident97 Ų9785.9 Ų85.945%0.45341%0.413SS..G310 helixtrans-55.4-28173.683.4-172.919.800114.2K53 K77 Y104K53-Q55 HydrophobicContact CB-CG 3.76Å; K53-Q55 HydrophobicContact CD-CG 4.37Å; K53-Q55 PolarHBondContact O-N 3.11Å; Q55-K77 WeakPolarHBondContact O-CD 3.31Å; Q55-K77 WeakPolarHBondContact O-CE 3.39Å; Q55-K77 PolarHBondContact O-NZ 3.35Å; Q55-Y104 HydrophobicContact CB-CE1 3.97Å; Q55-Y104 WeakPolarHBondContact CB-OH 3.49Å
56S98.1Very high89.4Confident38 Ų3878.8 Ų78.827%0.26639%0.386SS..G310 helixtrans-92.6-9.5-178.967.70000113.1K53 L54 T76 K77K53-S56 WeakPolarHBondContact O-CB 3.34Å; K53-S56 PolarHBondContact O-N 2.47Å; K53-S56 PolarHBondContact O-OG 3.06Å; L54-S56 PolarHBondContact O-N 3.35Å; L54-S56 VanDerWaalsContact O-N 3.09Å; S56-T76 CarbonylContact O-C 3.39Å; S56-T76 VanDerWaalsContact O-CA 3.26Å; S56-T76 WeakPolarHBondContact O-CA 3.34Å; S56-T76 WeakPolarHBondContact O-CB 3.47Å; S56-K77 PolarHBondContact O-N 2.69Å
57I98.1Very high90.2Very high1 Ų181.3 Ų81.31%0.00541%0.407CS..EExtended strand (participates in β ladder)trans-83.7131179-59.8178.1000108.8L52 L54 I74 L101L52-I57 HydrophobicContact CD1-CG1 4.45Å; L52-I57 HydrophobicContact CD2-CD1 4.01Å; L52-I57 HydrophobicContact CD2-CG1 4.17Å; L52-I57 HydrophobicContact CG-CD1 4.12Å; L52-I57 HydrophobicContact CG-CG1 4.07Å; L54-I57 HydrophobicContact CD2-CD1 3.76Å; L54-I57 PolarHBondContact O-N 2.83Å; I57-I74 HydrophobicContact CB-CG2 4.35Å; I57-I74 HydrophobicContact CD1-CG2 3.9Å; I57-I74 HydrophobicContact CG1-CG2 3.84Å; I57-I74 HydrophobicContact CG2-CG2 3.69Å; I57-L101 HydrophobicContact CB-CD1 4.02Å; I57-L101 HydrophobicContact CB-CD2 4.46Å; I57-L101 HydrophobicContact CG2-CD1 4.16Å; I57-L101 HydrophobicContact CG2-CD2 3.69Å
58K96.9Very high91.4Very high100 Ų10084.3 Ų84.344%0.43541%0.409SS..EExtended strand (participates in β ladder)trans-87.2-48.1173.7179.9174.6175.9174.60110.1V75 K77 D79K58-V75 WeakPolarHBondContact CA-O 3.44Å; K58-V75 WeakPolarHBondContact CB-O 3.39Å; K58-V75 HydrophobicContact CD-CG1 4.42Å; K58-V75 PolarHBondContact N-O 2.94Å; K58-K77 HydrophobicContact CB-CG 4.24Å; K58-D79 IonicContact NZ-OD1 3.81Å; K58-D79 PolarHBondContact NZ-OD1 3.17Å
59K96.1Very high92.5Very high90 Ų9079.4 Ų79.439%0.39139%0.388SS..EExtended strand (participates in β ladder)trans-162.1163.4179.258178.8-175.3144.40112.1D61 V75K59-D61 WeakPolarHBondContact CD-OD1 3.48Å; K59-D61 WeakPolarHBondContact CE-OD1 3.12Å; K59-D61 WeakPolarHBondContact CE-OD2 3.39Å; K59-D61 IonicContact NZ-OD1 2.69Å; K59-D61 PolarHBondContact NZ-OD1 2.99Å; K59-D61 IonicContact NZ-OD2 3.16Å; K59-D61 PolarHBondContact NZ-OD2 3.47Å; K59-V75 HydrophobicContact CG-CB 3.89Å; K59-V75 HydrophobicContact CG-CG2 4.1Å; K59-V75 PolarHBondContact N-O 2.68Å; K59-V75 PolarHBondContact O-N 3.17Å
60V96.4Very high92.9Very high25 Ų2576.7 Ų76.715%0.15237%0.37CS..EExtended strand (participates in β ladder)trans-110.5118.7165.6-175.80000106.9F72 T73 I74 I97 L101V60-F72 HydrophobicContact CG1-CD2 3.95Å; V60-T73 WeakPolarHBondContact CA-O 3.34Å; V60-I74 HydrophobicContact CG2-CG1 4.49Å; V60-I97 HydrophobicContact CG2-CB 4.49Å; V60-I97 HydrophobicContact CG2-CG2 3.72Å; V60-L101 HydrophobicContact CG2-CD2 4.39Å
61D92.5Very high93.2Very high52 Ų5273.8 Ų73.828%0.27836%0.357SS..EExtended strand (participates in β ladder)trans-96.6135.2174.8-72.4-27.4000109.5K59 V63 F72 T73K59-D61 WeakPolarHBondContact CD-OD1 3.48Å; K59-D61 WeakPolarHBondContact CE-OD1 3.12Å; K59-D61 WeakPolarHBondContact CE-OD2 3.39Å; K59-D61 IonicContact NZ-OD1 2.69Å; K59-D61 PolarHBondContact NZ-OD1 2.99Å; K59-D61 IonicContact NZ-OD2 3.16Å; K59-D61 PolarHBondContact NZ-OD2 3.47Å; D61-V63 HydrophobicContact CB-CG2 4.08Å; D61-F72 WeakPolarHBondContact O-CA 3.48Å; D61-F72 WeakPolarHBondContact O-CB 3.37Å; D61-T73 PolarHBondContact N-O 2.98Å; D61-T73 PolarHBondContact O-N 3.48Å
62C80.8Confident93.3Very high86 Ų8669.3 Ų69.358%0.58134%0.336SS*.EExtended strand (participates in β ladder)trans-83121.3169.4-1740000108.2
63V71.5Confident93.3Very high66 Ų6669.1 Ų69.140%0.434%0.335SS..EExtended strand (participates in β ladder)trans-128.981-173.5-1670000106.7D61 Y71D61-V63 HydrophobicContact CB-CG2 4.08Å; V63-Y71 CarbonylContact C-O 3.6Å; V63-Y71 PolarHBondContact N-O 3.45Å; V63-Y71 VanDerWaalsContact N-O 3.17Å; V63-Y71 CarbonylContact O-C 3.5Å; V63-Y71 WeakPolarHBondContact O-CB 3.29Å; V63-Y71 VanDerWaalsContact O-O 3.13Å
64E87.6Confident93.3Very high136 Ų13665 Ų6564%0.63632%0.317SS*.EExtended strand (participates in β ladder)trans79139169.6-160.6-179.6172.500117.5Y71E64-Y71 PolarHBondContact O-N 2.95Å
65R90.6Very high93.3Very high184 Ų18465.2 Ų65.269%0.69432%0.319SS*.EExtended strand (participates in β ladder)trans-117.4129.9168173.1173.6179.4166.7-1108.4M70R65-M70 HydrophobicContact CB-CE 4.11Å; R65-M70 HydrophobicContact CB-SD 3.54Å; R65-M70 VanDerWaalsContact CB-SD 3.54Å; R65-M70 WeakPolarHBondContact CD-SD 3.07Å; R65-M70 HydrophobicContact CG-SD 3.36Å; R65-M70 WeakPolarHBondContact CG-SD 3.45Å
66T92.3Very high93.3Very high40 Ų4060.9 Ų60.925%0.24530%0.299CS..  trans-110.9177168.965.50000109.8K68 F69 Y71T66-K68 PolarHBondContact O-N 2.93Å; T66-K68 PolarHBondContact OG1-N 3.4Å; T66-F69 PolarHBondContact N-O 2.79Å; T66-F69 PolarHBondContact OG1-N 3.29Å; T66-F69 PolarHBondContact OG1-O 2.9Å; T66-Y71 HydrophobicContact CG2-CD2 4.35Å; T66-Y71 HydrophobicContact CG2-CE2 3.7Å
67D92.7Very high93.3Very high159 Ų15965.6 Ų65.685%0.8532%0.315SS*.SBendtrans-63.2-26.2175.8-63.4-22.3000113.2V88D67-V88 WeakPolarHBondContact O-CG2 3.43Å
68K94.4Very high93.2Very high150 Ų15071.3 Ų71.365%0.65235%0.345SS*.SBendtrans-107-34.3-174.2-65.5-177.7-179178.10112.9T66 S87 V88T66-K68 PolarHBondContact O-N 2.93Å; T66-K68 PolarHBondContact OG1-N 3.4Å; K68-S87 WeakPolarHBondContact O-CA 3.26Å; K68-V88 PolarHBondContact O-N 2.85Å; K68-V88 VanDerWaalsContact O-N 3.11Å
69F95Very high93.2Very high53 Ų5371.5 Ų71.523%0.23235%0.351CS..EExtended strand (participates in β ladder)trans-135.6142.1-169.5-61.8-74.9000112.5T66 Y71 R85 Y86T66-F69 PolarHBondContact N-O 2.79Å; T66-F69 PolarHBondContact OG1-N 3.29Å; T66-F69 PolarHBondContact OG1-O 2.9Å; F69-Y71 HydrophobicContact CB-CD2 3.99Å; F69-Y71 HydrophobicContact CB-CE2 3.43Å; F69-Y71 VanDerWaalsContact CB-CE2 3.43Å; F69-Y71 HydrophobicContact CG-CE2 4.44Å; F69-R85 HydrophobicContact CB-CB 4.46Å; F69-R85 HydrophobicContact CD1-CG 4.27Å; F69-Y86 CarbonylContact C-O 3.56Å; F69-Y86 VanDerWaalsContact CA-O 3.27Å; F69-Y86 WeakPolarHBondContact CA-O 3.4Å
70M94.3Very high93.2Very high22 Ų2270.5 Ų70.511%0.10835%0.347CS..EExtended strand (participates in β ladder)trans-91.6135.2158.6-69.6-60.5-6000108.7R65 R85 Y86 V88R65-M70 HydrophobicContact CB-CE 4.11Å; R65-M70 HydrophobicContact CB-SD 3.54Å; R65-M70 VanDerWaalsContact CB-SD 3.54Å; R65-M70 WeakPolarHBondContact CD-SD 3.07Å; R65-M70 HydrophobicContact CG-SD 3.36Å; R65-M70 WeakPolarHBondContact CG-SD 3.45Å; M70-R85 CarbonylContact O-C 3.43Å; M70-R85 WeakPolarHBondContact O-CA 3.34Å; M70-R85 VanDerWaalsContact O-CB 3.27Å; M70-R85 WeakPolarHBondContact O-CB 3.49Å; M70-Y86 HydrophobicContact CB-CD1 4.05Å; M70-Y86 HydrophobicContact CB-CD2 4.28Å; M70-Y86 HydrophobicContact CB-CE1 3.55Å; M70-Y86 HydrophobicContact CB-CE2 3.78Å; M70-Y86 HydrophobicContact CB-CG 4.41Å; M70-Y86 HydrophobicContact CG-CE1 4.42Å; M70-Y86 HydrophobicContact CG-CE2 3.89Å; M70-Y86 PolarHBondContact N-O 3.17Å; M70-Y86 PolarHBondContact O-N 3.33Å; M70-V88 HydrophobicContact CG-CG1 4.07Å; M70-V88 HydrophobicContact SD-CG1 4.44Å
71Y96.1Very high93.1Very high52 Ų5275 Ų7520%0.20437%0.366CS..EExtended strand (participates in β ladder)trans-119141.7179.7-66.4-103.5000109.6W26 V63 E64 T66 F69 F84 R85W26-Y71 AromaticContact CH2-CD1 3.89Å; W26-Y71 HydrophobicContact CH2-CD1 3.89Å; W26-Y71 HydrophobicContact CH2-CE1 4.2Å; W26-Y71 AromaticContact CZ2-CD1 3.78Å; W26-Y71 HydrophobicContact CZ2-CD1 3.78Å; W26-Y71 AromaticContact CZ2-CE1 3.65Å; W26-Y71 HydrophobicContact CZ2-CE1 3.65Å; V63-Y71 CarbonylContact C-O 3.6Å; V63-Y71 PolarHBondContact N-O 3.45Å; V63-Y71 VanDerWaalsContact N-O 3.17Å; V63-Y71 CarbonylContact O-C 3.5Å; V63-Y71 WeakPolarHBondContact O-CB 3.29Å; V63-Y71 VanDerWaalsContact O-O 3.13Å; E64-Y71 PolarHBondContact O-N 2.95Å; T66-Y71 HydrophobicContact CG2-CD2 4.35Å; T66-Y71 HydrophobicContact CG2-CE2 3.7Å; F69-Y71 HydrophobicContact CB-CD2 3.99Å; F69-Y71 HydrophobicContact CB-CE2 3.43Å; F69-Y71 VanDerWaalsContact CB-CE2 3.43Å; F69-Y71 HydrophobicContact CG-CE2 4.44Å; Y71-F84 WeakPolarHBondContact CA-O 3.36Å; Y71-R85 HydrophobicContact CD1-CB 3.63Å; Y71-R85 HydrophobicContact CD1-CG 4.41Å; Y71-R85 HydrophobicContact CE1-CB 3.95Å; Y71-R85 VanDerWaalsContact CE1-CD 3.41Å; Y71-R85 HydrophobicContact CE1-CG 4.29Å; Y71-R85 HydrophobicContact CG-CB 3.99Å; Y71-R85 PolarHBondContact OH-NH1 2.74Å
72F96.8Very high93.2Very high1 Ų172.8 Ų72.80%0.00435%0.354CS..EExtended strand (participates in β ladder)trans-153.5155.8178.770.2-84.8000111L15 V60 D61 I74 F84 Y86 W93 H94 I97L15-F72 HydrophobicContact CD1-CZ 4.08Å; L15-F72 HydrophobicContact CD2-CE1 4.07Å; L15-F72 HydrophobicContact CD2-CZ 4.25Å; V60-F72 HydrophobicContact CG1-CD2 3.95Å; D61-F72 WeakPolarHBondContact O-CA 3.48Å; D61-F72 WeakPolarHBondContact O-CB 3.37Å; F72-I74 HydrophobicContact CD2-CG1 4.21Å; F72-I74 HydrophobicContact CE2-CD1 4.15Å; F72-I74 HydrophobicContact CE2-CG1 3.95Å; F72-F84 HydrophobicContact CD1-CB 3.9Å; F72-F84 HydrophobicContact CD2-CB 4.22Å; F72-F84 HydrophobicContact CD2-CD2 4.4Å; F72-F84 HydrophobicContact CE1-CB 3.35Å; F72-F84 HydrophobicContact CE1-CG 4.33Å; F72-F84 HydrophobicContact CE2-CB 3.72Å; F72-F84 AromaticContact CE2-CD2 3.74Å; F72-F84 HydrophobicContact CE2-CD2 3.74Å; F72-F84 AromaticContact CE2-CG 3.99Å; F72-F84 HydrophobicContact CE2-CG 3.99Å; F72-F84 HydrophobicContact CG-CB 4.32Å; F72-F84 HydrophobicContact CZ-CB 3.27Å; F72-F84 HydrophobicContact CZ-CD2 4.01Å; F72-F84 AromaticContact CZ-CG 3.77Å; F72-F84 HydrophobicContact CZ-CG 3.77Å; F72-F84 PolarHBondContact N-O 3.07Å; F72-F84 PolarHBondContact O-N 3.35Å; F72-F84 VanDerWaalsContact O-O 3.11Å; F72-Y86 HydrophobicContact CD1-CD1 4.01Å; F72-Y86 AromaticContact CD1-CE1 3.83Å; F72-Y86 HydrophobicContact CD1-CE1 3.83Å; F72-Y86 AromaticContact CE1-CD1 3.7Å; F72-Y86 HydrophobicContact CE1-CD1 3.7Å; F72-Y86 AromaticContact CE1-CE1 3.82Å; F72-Y86 HydrophobicContact CE1-CE1 3.82Å; F72-W93 HydrophobicContact CE1-CB 4.22Å; F72-W93 HydrophobicContact CZ-CB 4.39Å; F72-H94 HydrophobicContact CB-CB 4.01Å; F72-H94 HydrophobicContact CD1-CB 4.16Å; F72-H94 HydrophobicContact CD2-CB 4.45Å; F72-H94 HydrophobicContact CG-CB 3.98Å; F72-I97 HydrophobicContact CE2-CD1 3.73Å; F72-I97 HydrophobicContact CZ-CD1 3.77Å
73T96.8Very high94Very high11 Ų1169.7 Ų69.77%0.06733%0.332CS..EExtended strand (participates in β ladder)trans-123128.9-179.8-57.70000109.4V60 D61 V75 E81 D83V60-T73 WeakPolarHBondContact CA-O 3.34Å; D61-T73 PolarHBondContact N-O 2.98Å; D61-T73 PolarHBondContact O-N 3.48Å; T73-V75 HydrophobicContact CG2-CG2 4.28Å; T73-E81 HydrophobicContact CG2-CB 3.78Å; T73-E81 HydrophobicContact CG2-CG 4.2Å; T73-D83 WeakPolarHBondContact CG2-OD1 3.45Å; T73-D83 PolarHBondContact OG1-OD1 3.18Å
74I97.6Very high95.1Very high0 Ų066.6 Ų66.60%031%0.313CS..EExtended strand (participates in β ladder)trans-92.2121.3167.9-58-177.7000107.7L38 L52 I57 V60 F72 I82 F84 I97L38-I74 HydrophobicContact CD2-CD1 3.83Å; L52-I74 HydrophobicContact CD2-CD1 3.99Å; L52-I74 HydrophobicContact CD2-CG2 3.92Å; I57-I74 HydrophobicContact CB-CG2 4.35Å; I57-I74 HydrophobicContact CD1-CG2 3.9Å; I57-I74 HydrophobicContact CG1-CG2 3.84Å; I57-I74 HydrophobicContact CG2-CG2 3.69Å; V60-I74 HydrophobicContact CG2-CG1 4.49Å; F72-I74 HydrophobicContact CD2-CG1 4.21Å; F72-I74 HydrophobicContact CE2-CD1 4.15Å; F72-I74 HydrophobicContact CE2-CG1 3.95Å; I74-I82 PolarHBondContact N-O 2.84Å; I74-I82 PolarHBondContact O-N 2.85Å; I74-F84 HydrophobicContact CB-CE2 4.49Å; I74-F84 HydrophobicContact CD1-CD2 4.16Å; I74-F84 HydrophobicContact CD1-CE2 3.73Å; I74-F84 HydrophobicContact CG1-CD2 4.17Å; I74-F84 HydrophobicContact CG1-CE2 4.06Å; I74-I97 HydrophobicContact CD1-CD1 4.39Å; I74-I97 HydrophobicContact CD1-CG2 4.32Å
75V97.3Very high95.5Very high7 Ų762.1 Ų62.14%0.04229%0.29CS..EExtended strand (participates in β ladder)trans-101126173.6-171.10000108.1K58 K59 T73 K80 E81K58-V75 WeakPolarHBondContact CA-O 3.44Å; K58-V75 WeakPolarHBondContact CB-O 3.39Å; K58-V75 HydrophobicContact CD-CG1 4.42Å; K58-V75 PolarHBondContact N-O 2.94Å; K59-V75 HydrophobicContact CG-CB 3.89Å; K59-V75 HydrophobicContact CG-CG2 4.1Å; K59-V75 PolarHBondContact N-O 2.68Å; K59-V75 PolarHBondContact O-N 3.17Å; T73-V75 HydrophobicContact CG2-CG2 4.28Å; V75-K80 WeakPolarHBondContact CA-O 3.5Å; V75-E81 HydrophobicContact CG2-CG 4.26Å
76T97.9Very high95.7Very high5 Ų553.6 Ų53.63%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-88.8167.8177.558.80000111.7L52 S56 D78 D79 K80 I82L52-T76 HydrophobicContact CD1-CG2 3.97Å; S56-T76 CarbonylContact O-C 3.39Å; S56-T76 VanDerWaalsContact O-CA 3.26Å; S56-T76 WeakPolarHBondContact O-CA 3.34Å; S56-T76 WeakPolarHBondContact O-CB 3.47Å; T76-D78 WeakPolarHBondContact CB-OD1 3.35Å; T76-D78 PolarHBondContact O-N 2.62Å; T76-D78 PolarHBondContact OG1-OD1 2.68Å; T76-D79 WeakPolarHBondContact O-CA 3.49Å; T76-D79 PolarHBondContact O-N 2.86Å; T76-K80 PolarHBondContact N-O 2.92Å; T76-K80 WeakPolarHBondContact OG1-CA 3.16Å; T76-K80 VanDerWaalsContact OG1-CB 3.28Å; T76-K80 WeakPolarHBondContact OG1-CB 3.28Å; T76-K80 PolarHBondContact OG1-N 2.9Å; T76-K80 PolarHBondContact OG1-O 3.09Å; T76-K80 VanDerWaalsContact OG1-O 3.07Å; T76-I82 HydrophobicContact CG2-CD1 4.42Å
77K97.8Very high95.9Very high137 Ų13752.9 Ų52.960%0.59626%0.255SS*.THydrogen-bonded Turntrans-66.7-22.6179.4-72.5-179.5176.3171.10113.5Q55 S56 K58Q55-K77 WeakPolarHBondContact O-CD 3.31Å; Q55-K77 WeakPolarHBondContact O-CE 3.39Å; Q55-K77 PolarHBondContact O-NZ 3.35Å; S56-K77 PolarHBondContact O-N 2.69Å; K58-K77 HydrophobicContact CB-CG 4.24Å
78D97.1Very high95.7Very high122 Ų12247.5 Ų47.565%0.65223%0.227SC*.THydrogen-bonded Turntrans-87.518.6169.162.9-33.8000112.7T76 K80T76-D78 WeakPolarHBondContact CB-OD1 3.35Å; T76-D78 PolarHBondContact O-N 2.62Å; T76-D78 PolarHBondContact OG1-OD1 2.68Å; D78-K80 PolarHBondContact O-N 3Å; D78-K80 VanDerWaalsContact O-N 3.11Å
79D96Very high95.5Very high103 Ų10349 Ų4955%0.55124%0.237SC*.  trans57.722.6177-62.3-48.5000114.6K58 T76K58-D79 IonicContact NZ-OD1 3.81Å; K58-D79 PolarHBondContact NZ-OD1 3.17Å; T76-D79 WeakPolarHBondContact O-CA 3.49Å; T76-D79 PolarHBondContact O-N 2.86Å
80K95.4Very high95.1Very high70 Ų7050.3 Ų50.330%0.30424%0.244SC..  trans-77.9130.1168.6178.3-171.9174.278.50109.6D20 V75 T76 D78 I82D20-K80 IonicContact OD2-NZ 2.69Å; D20-K80 PolarHBondContact OD2-NZ 2.9Å; V75-K80 WeakPolarHBondContact CA-O 3.5Å; T76-K80 PolarHBondContact N-O 2.92Å; T76-K80 WeakPolarHBondContact OG1-CA 3.16Å; T76-K80 VanDerWaalsContact OG1-CB 3.28Å; T76-K80 WeakPolarHBondContact OG1-CB 3.28Å; T76-K80 PolarHBondContact OG1-N 2.9Å; T76-K80 PolarHBondContact OG1-O 3.09Å; T76-K80 VanDerWaalsContact OG1-O 3.07Å; D78-K80 PolarHBondContact O-N 3Å; D78-K80 VanDerWaalsContact O-N 3.11Å; K80-I82 HydrophobicContact CD-CG1 4.4Å; K80-I82 HydrophobicContact CG-CG1 4.36Å
81E95.1Very high94.5Very high119 Ų11951.8 Ų51.856%0.55626%0.26SS*.EExtended strand (participates in β ladder)trans-95.7136.9173.7-62.3-174171.100110.9T73 V75T73-E81 HydrophobicContact CG2-CB 3.78Å; T73-E81 HydrophobicContact CG2-CG 4.2Å; V75-E81 HydrophobicContact CG2-CG 4.26Å
82I95.3Very high94.2Very high5 Ų552.6 Ų52.63%0.02627%0.272CS..EExtended strand (participates in β ladder)trans-131.7109.2176.8-47.9174.8000108.8K17 L52 I74 T76 K80 F84K17-I82 HydrophobicContact CD-CG2 4.22Å; K17-I82 HydrophobicContact CG-CG2 4.06Å; L52-I82 HydrophobicContact CD1-CD1 4.42Å; L52-I82 HydrophobicContact CD2-CD1 4.11Å; I74-I82 PolarHBondContact N-O 2.84Å; I74-I82 PolarHBondContact O-N 2.85Å; T76-I82 HydrophobicContact CG2-CD1 4.42Å; K80-I82 HydrophobicContact CD-CG1 4.4Å; K80-I82 HydrophobicContact CG-CG1 4.36Å; I82-F84 HydrophobicContact CB-CE2 3.9Å; I82-F84 HydrophobicContact CG2-CD2 4.2Å; I82-F84 HydrophobicContact CG2-CE2 3.38Å; I82-F84 HydrophobicContact CG2-CZ 3.58Å; I82-F84 WeakPolarHBondContact O-CD2 3.43Å
83D95.8Very high94.1Very high22 Ų2252.7 Ų52.712%0.11827%0.272CS..EExtended strand (participates in β ladder)trans-88.8137.8-178.6-41.2-73.7000111.9R18 W26 T73R18-D83 HydrophobicContact CB-CB 3.86Å; R18-D83 IonicContact CZ-OD2 3.35Å; R18-D83 PolarHBondContact N-O 2.65Å; R18-D83 IonicContact NE-OD2 2.62Å; R18-D83 PolarHBondContact NE-OD2 3.41Å; R18-D83 IonicContact NH2-OD1 3.48Å; R18-D83 IonicContact NH2-OD2 2.95Å; R18-D83 PolarHBondContact NH2-OD2 3.16Å; W26-D83 HydrophobicContact CH2-CB 3.9Å; W26-D83 HydrophobicContact CZ3-CB 4.28Å; T73-D83 WeakPolarHBondContact CG2-OD1 3.45Å; T73-D83 PolarHBondContact OG1-OD1 3.18Å
84F96.4Very high94Very high0 Ų054.4 Ų54.40%028%0.28CS..EExtended strand (participates in β ladder)trans-128.9154.8175.9-65.5-86.2000110.1L15 E16 K17 L38 I40 Y71 F72 I74 I82L15-F84 HydrophobicContact CB-CD1 4.16Å; L15-F84 HydrophobicContact CD1-CD1 4.12Å; E16-F84 CarbonylContact O-C 3.5Å; E16-F84 VanDerWaalsContact O-CA 3.23Å; E16-F84 WeakPolarHBondContact O-CA 3.48Å; K17-F84 HydrophobicContact CB-CD1 3.96Å; K17-F84 HydrophobicContact CB-CE1 3.77Å; K17-F84 HydrophobicContact CG-CD1 4.23Å; K17-F84 HydrophobicContact CG-CE1 3.81Å; K17-F84 HydrophobicContact CG-CZ 4.2Å; L38-F84 HydrophobicContact CD2-CZ 4.42Å; I40-F84 HydrophobicContact CD1-CE1 4.1Å; I40-F84 HydrophobicContact CD1-CZ 3.71Å; Y71-F84 WeakPolarHBondContact CA-O 3.36Å; F72-F84 HydrophobicContact CD1-CB 3.9Å; F72-F84 HydrophobicContact CD2-CB 4.22Å; F72-F84 HydrophobicContact CD2-CD2 4.4Å; F72-F84 HydrophobicContact CE1-CB 3.35Å; F72-F84 HydrophobicContact CE1-CG 4.33Å; F72-F84 HydrophobicContact CE2-CB 3.72Å; F72-F84 AromaticContact CE2-CD2 3.74Å; F72-F84 HydrophobicContact CE2-CD2 3.74Å; F72-F84 AromaticContact CE2-CG 3.99Å; F72-F84 HydrophobicContact CE2-CG 3.99Å; F72-F84 HydrophobicContact CG-CB 4.32Å; F72-F84 HydrophobicContact CZ-CB 3.27Å; F72-F84 HydrophobicContact CZ-CD2 4.01Å; F72-F84 AromaticContact CZ-CG 3.77Å; F72-F84 HydrophobicContact CZ-CG 3.77Å; F72-F84 PolarHBondContact N-O 3.07Å; F72-F84 PolarHBondContact O-N 3.35Å; F72-F84 VanDerWaalsContact O-O 3.11Å; I74-F84 HydrophobicContact CB-CE2 4.49Å; I74-F84 HydrophobicContact CD1-CD2 4.16Å; I74-F84 HydrophobicContact CD1-CE2 3.73Å; I74-F84 HydrophobicContact CG1-CD2 4.17Å; I74-F84 HydrophobicContact CG1-CE2 4.06Å; I82-F84 HydrophobicContact CB-CE2 3.9Å; I82-F84 HydrophobicContact CG2-CD2 4.2Å; I82-F84 HydrophobicContact CG2-CE2 3.38Å; I82-F84 HydrophobicContact CG2-CZ 3.58Å; I82-F84 WeakPolarHBondContact O-CD2 3.43Å
85R96Very high93.8Very high42 Ų4256 Ų5616%0.15829%0.292CS..EExtended strand (participates in β ladder)trans-142158.8163.872.5-179.2-172.4178.90.7111.1E16 W26 F69 M70 Y71E16-R85 HydrophobicContact CB-CG 3.87Å; E16-R85 PolarHBondContact N-O 2.88Å; E16-R85 PolarHBondContact O-N 2.91Å; E16-R85 IonicContact OE2-CZ 3.6Å; E16-R85 IonicContact OE2-NE 2.91Å; E16-R85 PolarHBondContact OE2-NE 3.03Å; E16-R85 IonicContact OE2-NH2 2.71Å; E16-R85 PolarHBondContact OE2-NH2 2.86Å; W26-R85 HydrophobicContact CD2-CG 3.93Å; W26-R85 HydrophobicContact CE3-CB 4.35Å; W26-R85 HydrophobicContact CE3-CG 3.63Å; W26-R85 VanDerWaalsContact CG-NE 3.34Å; W26-R85 HydrophobicContact CH2-CB 4.25Å; W26-R85 HydrophobicContact CH2-CG 4.3Å; W26-R85 HydrophobicContact CZ3-CB 4.04Å; W26-R85 HydrophobicContact CZ3-CG 3.83Å; F69-R85 HydrophobicContact CB-CB 4.46Å; F69-R85 HydrophobicContact CD1-CG 4.27Å; M70-R85 CarbonylContact O-C 3.43Å; M70-R85 WeakPolarHBondContact O-CA 3.34Å; M70-R85 VanDerWaalsContact O-CB 3.27Å; M70-R85 WeakPolarHBondContact O-CB 3.49Å; Y71-R85 HydrophobicContact CD1-CB 3.63Å; Y71-R85 HydrophobicContact CD1-CG 4.41Å; Y71-R85 HydrophobicContact CE1-CB 3.95Å; Y71-R85 VanDerWaalsContact CE1-CD 3.41Å; Y71-R85 HydrophobicContact CE1-CG 4.29Å; Y71-R85 HydrophobicContact CG-CB 3.99Å; Y71-R85 PolarHBondContact OH-NH1 2.74Å
86Y94.9Very high93.7Very high5 Ų558.8 Ų58.82%0.0231%0.305CS..EExtended strand (participates in β ladder)trans-147.3157.2174.860.8-82.7000110.4L15 F69 M70 F72 Q90 A91 W93 H94L15-Y86 HydrophobicContact CD2-CD1 4.02Å; L15-Y86 HydrophobicContact CD2-CG 4.2Å; F69-Y86 CarbonylContact C-O 3.56Å; F69-Y86 VanDerWaalsContact CA-O 3.27Å; F69-Y86 WeakPolarHBondContact CA-O 3.4Å; M70-Y86 HydrophobicContact CB-CD1 4.05Å; M70-Y86 HydrophobicContact CB-CD2 4.28Å; M70-Y86 HydrophobicContact CB-CE1 3.55Å; M70-Y86 HydrophobicContact CB-CE2 3.78Å; M70-Y86 HydrophobicContact CB-CG 4.41Å; M70-Y86 HydrophobicContact CG-CE1 4.42Å; M70-Y86 HydrophobicContact CG-CE2 3.89Å; M70-Y86 PolarHBondContact N-O 3.17Å; M70-Y86 PolarHBondContact O-N 3.33Å; F72-Y86 HydrophobicContact CD1-CD1 4.01Å; F72-Y86 AromaticContact CD1-CE1 3.83Å; F72-Y86 HydrophobicContact CD1-CE1 3.83Å; F72-Y86 AromaticContact CE1-CD1 3.7Å; F72-Y86 HydrophobicContact CE1-CD1 3.7Å; F72-Y86 AromaticContact CE1-CE1 3.82Å; F72-Y86 HydrophobicContact CE1-CE1 3.82Å; Y86-Q90 HydrophobicContact CD2-CB 4.26Å; Y86-A91 WeakPolarHBondContact CD2-O 3.19Å; Y86-A91 VanDerWaalsContact CE2-O 3.22Å; Y86-A91 WeakPolarHBondContact CE2-O 3.47Å; Y86-W93 HydrophobicContact CD1-CB 3.84Å; Y86-W93 HydrophobicContact CD1-CG 4.4Å; Y86-W93 HydrophobicContact CE1-CB 3.75Å; Y86-W93 HydrophobicContact CG-CB 4.32Å; Y86-W93 AromaticContact CG-CD1 3.87Å; Y86-W93 HydrophobicContact CG-CG 4.46Å; Y86-H94 AromaticContact CZ-ND1 3.9Å; Y86-H94 PolarHBondContact OH-ND1 3.46Å
87S94.5Very high93.7Very high25 Ų2558.6 Ų58.618%0.17530%0.304CS..EExtended strand (participates in β ladder)trans-62.9140.3178.2175.30000110.1K68 E89 Q90K68-S87 WeakPolarHBondContact O-CA 3.26Å; S87-E89 PolarHBondContact O-N 3.43Å; S87-E89 PolarHBondContact OG-N 2.98Å; S87-Q90 WeakPolarHBondContact O-CB 3.5Å; S87-Q90 PolarHBondContact O-N 3.4Å
88V90.4Very high93.6Very high46 Ų4654.3 Ų54.328%0.27929%0.289SS..THydrogen-bonded Turntrans-59.8-17.4175.4-65.10000113.4D67 K68 M70 Q90D67-V88 WeakPolarHBondContact O-CG2 3.43Å; K68-V88 PolarHBondContact O-N 2.85Å; K68-V88 VanDerWaalsContact O-N 3.11Å; M70-V88 HydrophobicContact CG-CG1 4.07Å; M70-V88 HydrophobicContact SD-CG1 4.44Å; V88-Q90 VanDerWaalsContact C-N 3.33Å
89E89.9Confident93.6Very high181 Ų18153.2 Ų53.285%0.84628%0.283SS*.THydrogen-bonded Turntrans-82.9-9.1176.9-61.1175.9176.200113.4S87S87-E89 PolarHBondContact O-N 3.43Å; S87-E89 PolarHBondContact OG-N 2.98Å
90Q86.6Confident93.7Very high82 Ų8248.6 Ų48.638%0.38326%0.258SS..SBendtrans-92.4169.2179.4-64.9173.331.600111.5D14 Y86 S87 V88D14-Q90 PolarHBondContact O-OE1 3.08Å; D14-Q90 VanDerWaalsContact O-OE1 3.14Å; Y86-Q90 HydrophobicContact CD2-CB 4.26Å; S87-Q90 WeakPolarHBondContact O-CB 3.5Å; S87-Q90 PolarHBondContact O-N 3.4Å; V88-Q90 VanDerWaalsContact C-N 3.33Å
91A80.5Confident93.8Very high53 Ų5345.7 Ų45.744%0.43825%0.246SC..  trans-54.5150.5172.800000112.4I11 Y86 W93I11-A91 HydrophobicContact CD1-CB 3.46Å; I11-A91 VanDerWaalsContact CD1-CB 3.46Å; Y86-A91 WeakPolarHBondContact CD2-O 3.19Å; Y86-A91 VanDerWaalsContact CE2-O 3.22Å; Y86-A91 WeakPolarHBondContact CE2-O 3.47Å; A91-W93 VanDerWaalsContact C-N 3.28Å; A91-W93 PolarHBondContact O-N 3.35Å
92C89.8Confident93.9Very high69 Ų6943.6 Ų43.647%0.46624%0.238SC..  trans-76.872.1-173.1-74.20000112.5H94 A95 E96C92-H94 VanDerWaalsContact C-N 3.3Å; C92-H94 PolarHBondContact O-N 2.92Å; C92-A95 HydrophobicContact CB-CB 4.02Å; C92-A95 WeakPolarHBondContact O-CB 3.33Å; C92-A95 PolarHBondContact O-N 2.96Å; C92-E96 PolarHBondContact O-N 3.11Å; C92-E96 VanDerWaalsContact O-N 3.08Å
93W95.1Very high94Very high3 Ų346.9 Ų46.91%0.01126%0.262CS..Hα-helixtrans-49.2-44.1-177.2-82.6101.7000114.7I11 D14 L15 C31 L33 L38 F72 Y86 A91 A95 E96 I97I11-W93 HydrophobicContact CD1-CD2 4.11Å; I11-W93 HydrophobicContact CD1-CE3 4.43Å; I11-W93 HydrophobicContact CD1-CH2 4.47Å; I11-W93 HydrophobicContact CD1-CZ2 4.15Å; I11-W93 HydrophobicContact CG1-CH2 4.08Å; I11-W93 HydrophobicContact CG1-CZ2 4.07Å; I11-W93 HydrophobicContact CG1-CZ3 4.43Å; I11-W93 HydrophobicContact CG2-CE3 3.93Å; I11-W93 HydrophobicContact CG2-CH2 4.03Å; I11-W93 HydrophobicContact CG2-CZ3 3.61Å; D14-W93 PolarHBondContact O-NE1 2.95Å; L15-W93 HydrophobicContact CD1-CD2 3.82Å; L15-W93 HydrophobicContact CD1-CE3 3.73Å; L15-W93 HydrophobicContact CD1-CG 4.26Å; L15-W93 HydrophobicContact CD1-CZ3 4.13Å; L15-W93 HydrophobicContact CD2-CB 3.78Å; L15-W93 VanDerWaalsContact CD2-CD1 3.42Å; L15-W93 HydrophobicContact CD2-CD2 3.69Å; L15-W93 HydrophobicContact CD2-CE3 4.44Å; L15-W93 HydrophobicContact CD2-CG 3.36Å; L15-W93 HydrophobicContact CG-CD2 3.72Å; L15-W93 HydrophobicContact CG-CE3 4.13Å; L15-W93 HydrophobicContact CG-CG 3.97Å; L15-W93 HydrophobicContact CG-CZ2 4.25Å; C31-W93 HydrophobicContact CB-CH2 3.72Å; C31-W93 HydrophobicContact CB-CZ2 4.32Å; C31-W93 HydrophobicContact CB-CZ3 4.11Å; L33-W93 HydrophobicContact CB-CZ3 4.26Å; L38-W93 HydrophobicContact CD1-CZ3 4.16Å; F72-W93 HydrophobicContact CE1-CB 4.22Å; F72-W93 HydrophobicContact CZ-CB 4.39Å; Y86-W93 HydrophobicContact CD1-CB 3.84Å; Y86-W93 HydrophobicContact CD1-CG 4.4Å; Y86-W93 HydrophobicContact CE1-CB 3.75Å; Y86-W93 HydrophobicContact CG-CB 4.32Å; Y86-W93 AromaticContact CG-CD1 3.87Å; Y86-W93 HydrophobicContact CG-CG 4.46Å; A91-W93 VanDerWaalsContact C-N 3.28Å; A91-W93 PolarHBondContact O-N 3.35Å; W93-A95 VanDerWaalsContact C-N 3.27Å; W93-A95 PolarHBondContact O-N 2.85Å; W93-E96 PolarHBondContact O-N 3.22Å; W93-I97 HydrophobicContact CE3-CD1 4.23Å; W93-I97 HydrophobicContact CE3-CG1 4.47Å; W93-I97 WeakPolarHBondContact O-CB 3.34Å; W93-I97 WeakPolarHBondContact O-CD1 3.48Å; W93-I97 WeakPolarHBondContact O-CG1 2.91Å; W93-I97 PolarHBondContact O-N 2.75Å
94H94.2Very high94.1Very high47 Ų4747 Ų4722%0.21826%0.261CS..Hα-helixtrans-60.8-38.7179.377.1-74000111.9F72 Y86 C92 T98F72-H94 HydrophobicContact CB-CB 4.01Å; F72-H94 HydrophobicContact CD1-CB 4.16Å; F72-H94 HydrophobicContact CD2-CB 4.45Å; F72-H94 HydrophobicContact CG-CB 3.98Å; Y86-H94 AromaticContact CZ-ND1 3.9Å; Y86-H94 PolarHBondContact OH-ND1 3.46Å; C92-H94 VanDerWaalsContact C-N 3.3Å; C92-H94 PolarHBondContact O-N 2.92Å; H94-T98 VanDerWaalsContact O-CB 3.29Å; H94-T98 WeakPolarHBondContact O-CB 3.42Å; H94-T98 PolarHBondContact O-N 2.85Å; H94-T98 PolarHBondContact O-OG1 3.27Å
95A93.9Very high94.1Very high32 Ų3251 Ų5126%0.26428%0.28SS..Hα-helixtrans-71.1-46.1-179.900000110.8C92 W93 I97 T98 L99C92-A95 HydrophobicContact CB-CB 4.02Å; C92-A95 WeakPolarHBondContact O-CB 3.33Å; C92-A95 PolarHBondContact O-N 2.96Å; W93-A95 VanDerWaalsContact C-N 3.27Å; W93-A95 PolarHBondContact O-N 2.85Å; A95-I97 PolarHBondContact O-N 2.88Å; A95-T98 WeakPolarHBondContact O-CB 3.24Å; A95-T98 PolarHBondContact O-N 3.01Å; A95-L99 WeakPolarHBondContact O-CB 3.23Å; A95-L99 WeakPolarHBondContact O-CG 3.16Å; A95-L99 PolarHBondContact O-N 2.91Å
96E96.2Very high94.1Very high67 Ų6753.7 Ų53.731%0.31330%0.297SS..Hα-helixtrans-59.4-45.4177-65.3-59155.300111.9I10 I11 L33 C92 W93 T98 L99 A100I10-E96 WeakPolarHBondContact CG2-OE2 3.35Å; I11-E96 HydrophobicContact CD1-CG 4.35Å; I11-E96 HydrophobicContact CG2-CB 3.98Å; I11-E96 HydrophobicContact CG2-CG 4.25Å; L33-E96 HydrophobicContact CD2-CB 4.01Å; C92-E96 PolarHBondContact O-N 3.11Å; C92-E96 VanDerWaalsContact O-N 3.08Å; W93-E96 PolarHBondContact O-N 3.22Å; E96-T98 VanDerWaalsContact C-N 3.34Å; E96-T98 PolarHBondContact O-N 2.8Å; E96-L99 PolarHBondContact O-N 2.95Å; E96-A100 WeakPolarHBondContact O-CB 3.27Å; E96-A100 PolarHBondContact O-N 3.02Å
97I96.8Very high94.2Very high0 Ų057.3 Ų57.30%031%0.311CS..Hα-helixtrans-65-40.2177.1-61.8164.8000110.6L33 L38 V60 F72 I74 W93 A95 A100 L101L33-I97 HydrophobicContact CD1-CG1 4.25Å; L33-I97 HydrophobicContact CD2-CB 4.48Å; L33-I97 HydrophobicContact CD2-CG1 3.93Å; L38-I97 HydrophobicContact CD2-CD1 4.19Å; V60-I97 HydrophobicContact CG2-CB 4.49Å; V60-I97 HydrophobicContact CG2-CG2 3.72Å; F72-I97 HydrophobicContact CE2-CD1 3.73Å; F72-I97 HydrophobicContact CZ-CD1 3.77Å; I74-I97 HydrophobicContact CD1-CD1 4.39Å; I74-I97 HydrophobicContact CD1-CG2 4.32Å; W93-I97 HydrophobicContact CE3-CD1 4.23Å; W93-I97 HydrophobicContact CE3-CG1 4.47Å; W93-I97 WeakPolarHBondContact O-CB 3.34Å; W93-I97 WeakPolarHBondContact O-CD1 3.48Å; W93-I97 WeakPolarHBondContact O-CG1 2.91Å; W93-I97 PolarHBondContact O-N 2.75Å; A95-I97 PolarHBondContact O-N 2.88Å; I97-A100 PolarHBondContact O-N 2.84Å; I97-L101 WeakPolarHBondContact O-CB 3.27Å; I97-L101 PolarHBondContact O-N 3.19Å
98T96.9Very high94.2Very high47 Ų4760.1 Ų60.129%0.28832%0.321SS..Hα-helixtrans-62.7-46.5177.3-61.40000111.3H94 A95 E96 L101 I102H94-T98 VanDerWaalsContact O-CB 3.29Å; H94-T98 WeakPolarHBondContact O-CB 3.42Å; H94-T98 PolarHBondContact O-N 2.85Å; H94-T98 PolarHBondContact O-OG1 3.27Å; A95-T98 WeakPolarHBondContact O-CB 3.24Å; A95-T98 PolarHBondContact O-N 3.01Å; E96-T98 VanDerWaalsContact C-N 3.34Å; E96-T98 PolarHBondContact O-N 2.8Å; T98-L101 PolarHBondContact O-N 3.04Å; T98-I102 HydrophobicContact CG2-CD1 3.88Å; T98-I102 VanDerWaalsContact O-CG1 3.32Å; T98-I102 WeakPolarHBondContact O-CG1 3.11Å; T98-I102 PolarHBondContact O-N 2.86Å
99L97.1Very high94.4Very high100 Ų10060.7 Ų60.752%0.52433%0.33SS..Hα-helixtrans-65.1-41.1178.5-70174.5000111.9A95 E96 I102 S103A95-L99 WeakPolarHBondContact O-CB 3.23Å; A95-L99 WeakPolarHBondContact O-CG 3.16Å; A95-L99 PolarHBondContact O-N 2.91Å; E96-L99 PolarHBondContact O-N 2.95Å; L99-I102 PolarHBondContact O-N 3.46Å; L99-S103 WeakPolarHBondContact O-CB 3.48Å; L99-S103 PolarHBondContact O-N 3.47Å; L99-S103 PolarHBondContact O-OG 2.91Å
100A97.4Very high94.7Very high5 Ų555.8 Ų55.84%0.04131%0.313CS..Hα-helixtrans-61.6-43.7174.300000111.4I10 L33 L54 E96 I97 S103 Y104I10-A100 HydrophobicContact CD1-CB 3.7Å; L33-A100 HydrophobicContact CD1-CB 4.29Å; L33-A100 HydrophobicContact CD2-CB 4Å; L33-A100 HydrophobicContact CG-CB 4.36Å; L54-A100 HydrophobicContact CD1-CB 4.02Å; E96-A100 WeakPolarHBondContact O-CB 3.27Å; E96-A100 PolarHBondContact O-N 3.02Å; I97-A100 PolarHBondContact O-N 2.84Å; A100-S103 PolarHBondContact O-N 2.88Å; A100-Y104 WeakPolarHBondContact O-CB 3.22Å; A100-Y104 PolarHBondContact O-N 2.84Å
101L97.8Very high95Very high10 Ų1056.4 Ų56.45%0.05232%0.316CS..Hα-helixtrans-62.8-46.2177.7-178.662.4000112.1L54 I57 V60 I97 T98 S103 Y104 Q105L54-L101 HydrophobicContact CB-CD1 4.4Å; I57-L101 HydrophobicContact CB-CD1 4.02Å; I57-L101 HydrophobicContact CB-CD2 4.46Å; I57-L101 HydrophobicContact CG2-CD1 4.16Å; I57-L101 HydrophobicContact CG2-CD2 3.69Å; V60-L101 HydrophobicContact CG2-CD2 4.39Å; I97-L101 WeakPolarHBondContact O-CB 3.27Å; I97-L101 PolarHBondContact O-N 3.19Å; T98-L101 PolarHBondContact O-N 3.04Å; L101-S103 VanDerWaalsContact C-N 3.33Å; L101-S103 PolarHBondContact O-N 2.9Å; L101-Y104 PolarHBondContact O-N 3.06Å; L101-Q105 HydrophobicContact CD1-CG 4.43Å; L101-Q105 VanDerWaalsContact O-CG 3.29Å; L101-Q105 WeakPolarHBondContact O-CG 3.23Å; L101-Q105 PolarHBondContact O-N 3.12Å
102I97.4Very high95.6Very high74 Ų7457.7 Ų57.738%0.37932%0.315SS..Hα-helixtrans-60.9-45.2176.7-69.5165.9000110.2T98 L99 Y104 Q105 N106T98-I102 HydrophobicContact CG2-CD1 3.88Å; T98-I102 VanDerWaalsContact O-CG1 3.32Å; T98-I102 WeakPolarHBondContact O-CG1 3.11Å; T98-I102 PolarHBondContact O-N 2.86Å; L99-I102 PolarHBondContact O-N 3.46Å; I102-Y104 VanDerWaalsContact C-N 3.34Å; I102-Y104 PolarHBondContact O-N 2.69Å; I102-Q105 PolarHBondContact O-N 2.89Å; I102-N106 WeakPolarHBondContact O-CB 3.39Å; I102-N106 VanDerWaalsContact O-CG 3.24Å; I102-N106 PolarHBondContact O-N 2.93Å; I102-N106 PolarHBondContact O-ND2 2.83Å
103S97.3Very high95.7Very high75 Ų7560.9 Ų60.952%0.52432%0.322SS..Hα-helixtrans-61.6-43179-59.70000111.7L99 A100 L101 N106 R107L99-S103 WeakPolarHBondContact O-CB 3.48Å; L99-S103 PolarHBondContact O-N 3.47Å; L99-S103 PolarHBondContact O-OG 2.91Å; A100-S103 PolarHBondContact O-N 2.88Å; L101-S103 VanDerWaalsContact C-N 3.33Å; L101-S103 PolarHBondContact O-N 2.9Å; S103-N106 PolarHBondContact O-N 2.88Å; S103-R107 PolarHBondContact O-N 2.88Å
104Y96.9Very high95.5Very high23 Ų2366.5 Ų66.59%0.0935%0.346CS..Hα-helixtrans-59.7-49.9174.5176.5-88.8000111.4L54 Q55 A100 L101 I102 N106 R107 E108L54-Y104 HydrophobicContact CB-CD1 4.17Å; L54-Y104 HydrophobicContact CB-CD2 4.13Å; L54-Y104 HydrophobicContact CB-CG 3.89Å; L54-Y104 HydrophobicContact CD1-CG 4.35Å; Q55-Y104 HydrophobicContact CB-CE1 3.97Å; Q55-Y104 WeakPolarHBondContact CB-OH 3.49Å; A100-Y104 WeakPolarHBondContact O-CB 3.22Å; A100-Y104 PolarHBondContact O-N 2.84Å; L101-Y104 PolarHBondContact O-N 3.06Å; I102-Y104 VanDerWaalsContact C-N 3.34Å; I102-Y104 PolarHBondContact O-N 2.69Å; Y104-N106 VanDerWaalsContact C-N 3.35Å; Y104-N106 PolarHBondContact O-N 3.08Å; Y104-R107 VanDerWaalsContact CE2-NH2 3.28Å; Y104-R107 PolarHBondContact O-N 2.85Å; Y104-E108 HydrophobicContact CD1-CG 4.17Å; Y104-E108 HydrophobicContact CE1-CG 3.64Å; Y104-E108 HydrophobicContact CE2-CG 4.38Å; Y104-E108 WeakPolarHBondContact O-CG 3.49Å; Y104-E108 PolarHBondContact O-N 3.3Å
105Q96.6Very high95.3Very high86 Ų8667.9 Ų67.940%0.40236%0.358SS..Hα-helixtrans-62.5-40.1-179.8-72171.9-12.600112.5L101 I102 E108 A109L101-Q105 HydrophobicContact CD1-CG 4.43Å; L101-Q105 VanDerWaalsContact O-CG 3.29Å; L101-Q105 WeakPolarHBondContact O-CG 3.23Å; L101-Q105 PolarHBondContact O-N 3.12Å; I102-Q105 PolarHBondContact O-N 2.89Å; Q105-E108 PolarHBondContact O-N 2.83Å; Q105-A109 WeakPolarHBondContact O-CB 3.44Å; Q105-A109 PolarHBondContact O-N 2.84Å
106N96.8Very high95Very high98 Ų9873.6 Ų73.652%0.52437%0.372SS..Hα-helixtrans-64-41.8176.2-73.2-17.2000111.7I102 S103 Y104 A109 V110I102-N106 WeakPolarHBondContact O-CB 3.39Å; I102-N106 VanDerWaalsContact O-CG 3.24Å; I102-N106 PolarHBondContact O-N 2.93Å; I102-N106 PolarHBondContact O-ND2 2.83Å; S103-N106 PolarHBondContact O-N 2.88Å; Y104-N106 VanDerWaalsContact C-N 3.35Å; Y104-N106 PolarHBondContact O-N 3.08Å; N106-A109 PolarHBondContact O-N 2.93Å; N106-V110 WeakPolarHBondContact O-CG2 3.36Å; N106-V110 PolarHBondContact O-N 2.9Å
107R95.6Very high94.3Very high80 Ų8075.7 Ų75.730%0.30238%0.382SS..Hα-helixtrans-62-46.4176.8-176.1-178.866.7-158.53.3111.4D36 S103 Y104 V110 Q111D36-R107 IonicContact OD1-CZ 3.29Å; D36-R107 IonicContact OD1-NH1 2.66Å; D36-R107 PolarHBondContact OD1-NH1 3.49Å; D36-R107 IonicContact OD1-NH2 2.7Å; D36-R107 PolarHBondContact OD1-NH2 2.81Å; S103-R107 PolarHBondContact O-N 2.88Å; Y104-R107 VanDerWaalsContact CE2-NH2 3.28Å; Y104-R107 PolarHBondContact O-N 2.85Å; R107-V110 PolarHBondContact O-N 3.3Å; R107-Q111 WeakPolarHBondContact O-CB 3.32Å; R107-Q111 VanDerWaalsContact O-CG 3.31Å; R107-Q111 WeakPolarHBondContact O-CG 3.35Å; R107-Q111 PolarHBondContact O-N 2.98Å
108E95Very high93.5Very high84 Ų8480.9 Ų80.939%0.39341%0.41SS..Hα-helixtrans-60.3-46176.4-68.4-79116.700111.2Y104 Q105 V110 Q111 D112Y104-E108 HydrophobicContact CD1-CG 4.17Å; Y104-E108 HydrophobicContact CE1-CG 3.64Å; Y104-E108 HydrophobicContact CE2-CG 4.38Å; Y104-E108 WeakPolarHBondContact O-CG 3.49Å; Y104-E108 PolarHBondContact O-N 3.3Å; Q105-E108 PolarHBondContact O-N 2.83Å; E108-V110 PolarHBondContact O-N 3.06Å; E108-Q111 PolarHBondContact O-N 3.16Å; E108-D112 WeakPolarHBondContact O-CB 3.38Å; E108-D112 PolarHBondContact O-N 2.9Å
109A95.1Very high92.5Very high58 Ų5885.3 Ų85.348%0.47943%0.427SS..Hα-helixtrans-62-41.5179.700000112.6Q105 N106 F113Q105-A109 WeakPolarHBondContact O-CB 3.44Å; Q105-A109 PolarHBondContact O-N 2.84Å; N106-A109 PolarHBondContact O-N 2.93Å; A109-F113 WeakPolarHBondContact O-CB 3.42Å; A109-F113 PolarHBondContact O-N 2.9Å
110V95.3Very high91.2Very high79 Ų7985.2 Ų85.248%0.47944%0.435SS..Hα-helixtrans-66.8-39.1176.1170.70000111.4N106 R107 E108 K114N106-V110 WeakPolarHBondContact O-CG2 3.36Å; N106-V110 PolarHBondContact O-N 2.9Å; R107-V110 PolarHBondContact O-N 3.3Å; E108-V110 PolarHBondContact O-N 3.06Å; V110-K114 HydrophobicContact CG1-CD 4.28Å; V110-K114 WeakPolarHBondContact O-CG 3.45Å; V110-K114 PolarHBondContact O-N 2.98Å; V110-K114 VanDerWaalsContact O-N 3.12Å
111Q92.9Very high89.6Confident95 Ų9588.3 Ų88.344%0.44446%0.461SS..Hα-helixtrans-67-48.4177.6-75.4174.4-2300111.5R107 E108 F113 K114 T115R107-Q111 WeakPolarHBondContact O-CB 3.32Å; R107-Q111 VanDerWaalsContact O-CG 3.31Å; R107-Q111 WeakPolarHBondContact O-CG 3.35Å; R107-Q111 PolarHBondContact O-N 2.98Å; E108-Q111 PolarHBondContact O-N 3.16Å; Q111-F113 VanDerWaalsContact C-N 3.28Å; Q111-F113 PolarHBondContact O-N 3.14Å; Q111-K114 PolarHBondContact O-N 2.89Å; Q111-K114 VanDerWaalsContact O-N 3.13Å; Q111-T115 PolarHBondContact O-N 3.05Å; Q111-T115 PolarHBondContact O-OG1 3.11Å
112D93.5Very high87.4Confident80 Ų8092.1 Ų92.143%0.42849%0.488SS..Hα-helixtrans-57.3-42.4176.6-177.468.8000111.4E108 T115 R116E108-D112 WeakPolarHBondContact O-CB 3.38Å; E108-D112 PolarHBondContact O-N 2.9Å; D112-T115 PolarHBondContact O-N 2.78Å; D112-R116 WeakPolarHBondContact O-CG 3.38Å; D112-R116 PolarHBondContact O-N 2.7Å; D112-R116 VanDerWaalsContact O-N 3.14Å; D112-R116 IonicContact OD1-CZ 3.25Å; D112-R116 IonicContact OD1-NE 3.48Å; D112-R116 PolarHBondContact OD1-NE 2.83Å; D112-R116 IonicContact OD1-NH2 2.86Å; D112-R116 PolarHBondContact OD1-NH2 3.49Å; D112-R116 IonicContact OD2-CZ 2.75Å; D112-R116 VanDerWaalsContact OD2-CZ 3.25Å; D112-R116 IonicContact OD2-NE 2.79Å; D112-R116 PolarHBondContact OD2-NE 3.49Å; D112-R116 IonicContact OD2-NH2 2.8Å; D112-R116 PolarHBondContact OD2-NH2 3.37Å
113F93.1Very high85.3Confident136 Ų13694.4 Ų94.460%0.59651%0.508SS*.Hα-helixtrans-61-45.5175.6-178.4-96.5000112.7A109 Q111 R116 Q117A109-F113 WeakPolarHBondContact O-CB 3.42Å; A109-F113 PolarHBondContact O-N 2.9Å; Q111-F113 VanDerWaalsContact C-N 3.28Å; Q111-F113 PolarHBondContact O-N 3.14Å; F113-R116 PolarHBondContact O-N 3.48Å; F113-Q117 PolarHBondContact O-N 2.79Å; F113-Q117 VanDerWaalsContact O-N 3.16Å
114K90.8Very high83Confident120 Ų12094.2 Ų94.252%0.52252%0.518SS..Hα-helixtrans-63.5-44.7178.6-74.3174.3179.2-177.30111.9V110 Q111 R116 Q117 D118V110-K114 HydrophobicContact CG1-CD 4.28Å; V110-K114 WeakPolarHBondContact O-CG 3.45Å; V110-K114 PolarHBondContact O-N 2.98Å; V110-K114 VanDerWaalsContact O-N 3.12Å; Q111-K114 PolarHBondContact O-N 2.89Å; Q111-K114 VanDerWaalsContact O-N 3.13Å; K114-R116 VanDerWaalsContact C-N 3.34Å; K114-R116 PolarHBondContact O-N 2.75Å; K114-Q117 WeakPolarHBondContact O-CB 3.24Å; K114-Q117 PolarHBondContact O-N 3.05Å; K114-Q117 VanDerWaalsContact O-N 3.13Å; K114-D118 PolarHBondContact O-N 3.44Å
115T89.1Confident80.8Confident76 Ų76103.1 Ų103.147%0.46656%0.56SS.*Hα-helixtrans-59.5-44.1178.9-58.80000111.6Q111 D112 Q117 D118 E119Q111-T115 PolarHBondContact O-N 3.05Å; Q111-T115 PolarHBondContact O-OG1 3.11Å; D112-T115 PolarHBondContact O-N 2.78Å; T115-Q117 VanDerWaalsContact C-N 3.31Å; T115-Q117 PolarHBondContact O-N 3.44Å; T115-D118 PolarHBondContact O-N 2.92Å; T115-E119 WeakPolarHBondContact O-CG 2.78Å; T115-E119 PolarHBondContact O-N 3.21Å
116R87.3Confident78.7Confident152 Ų152107.3 Ų107.357%0.57458%0.58SS**Hα-helixtrans-63-36.4176.1-67.4172.6-165.3-104-0.8112.9D112 F113 K114 S120D112-R116 WeakPolarHBondContact O-CG 3.38Å; D112-R116 PolarHBondContact O-N 2.7Å; D112-R116 VanDerWaalsContact O-N 3.14Å; D112-R116 IonicContact OD1-CZ 3.25Å; D112-R116 IonicContact OD1-NE 3.48Å; D112-R116 PolarHBondContact OD1-NE 2.83Å; D112-R116 IonicContact OD1-NH2 2.86Å; D112-R116 PolarHBondContact OD1-NH2 3.49Å; D112-R116 IonicContact OD2-CZ 2.75Å; D112-R116 VanDerWaalsContact OD2-CZ 3.25Å; D112-R116 IonicContact OD2-NE 2.79Å; D112-R116 PolarHBondContact OD2-NE 3.49Å; D112-R116 IonicContact OD2-NH2 2.8Å; D112-R116 PolarHBondContact OD2-NH2 3.37Å; F113-R116 PolarHBondContact O-N 3.48Å; K114-R116 VanDerWaalsContact C-N 3.34Å; K114-R116 PolarHBondContact O-N 2.75Å; R116-S120 WeakPolarHBondContact O-CB 3.45Å; R116-S120 PolarHBondContact O-N 3.19Å; R116-S120 VanDerWaalsContact O-N 3.09Å; R116-S120 PolarHBondContact O-OG 2.98Å
117Q81.9Confident76.7Confident111 Ų111114.2 Ų114.252%0.51960%0.599SS.*Hα-helixtrans-66-46.2177-173.8173.437.900111.1F113 K114 T115 E119 S120 A121F113-Q117 PolarHBondContact O-N 2.79Å; F113-Q117 VanDerWaalsContact O-N 3.16Å; K114-Q117 WeakPolarHBondContact O-CB 3.24Å; K114-Q117 PolarHBondContact O-N 3.05Å; K114-Q117 VanDerWaalsContact O-N 3.13Å; T115-Q117 VanDerWaalsContact C-N 3.31Å; T115-Q117 PolarHBondContact O-N 3.44Å; Q117-E119 PolarHBondContact O-N 2.71Å; Q117-S120 PolarHBondContact O-N 3.13Å; Q117-S120 PolarHBondContact O-OG 2.94Å; Q117-A121 WeakPolarHBondContact O-CB 3.47Å; Q117-A121 PolarHBondContact O-N 3.27Å
118D79.4Confident74.7Confident109 Ų109121.2 Ų121.258%0.58363%0.625SS**Hα-helixtrans-65.2-38.1179.6-69.4-22.6000112.3K114 T115 A121 S122K114-D118 PolarHBondContact O-N 3.44Å; T115-D118 PolarHBondContact O-N 2.92Å; D118-A121 PolarHBondContact O-N 3.05Å; D118-S122 PolarHBondContact O-N 3.44Å; D118-S122 PolarHBondContact O-OG 2.59Å
119E76.4Confident72.9Confident140 Ų140125.5 Ų125.565%0.65465%0.647SS**Hα-helixtrans-63.3-41.4172.8-74.4-179.116500111.9T115 Q117 A121T115-E119 WeakPolarHBondContact O-CG 2.78Å; T115-E119 PolarHBondContact O-N 3.21Å; Q117-E119 PolarHBondContact O-N 2.71Å; E119-A121 VanDerWaalsContact C-N 3.29Å; E119-A121 PolarHBondContact O-N 3.13Å
120S69.6Low71Confident98 Ų98127.7 Ų127.769%0.68567%0.666SS**Hα-helixtrans-71.8-21.9178.272.40000114.1R116 Q117R116-S120 WeakPolarHBondContact O-CB 3.45Å; R116-S120 PolarHBondContact O-N 3.19Å; R116-S120 VanDerWaalsContact O-N 3.09Å; R116-S120 PolarHBondContact O-OG 2.98Å; Q117-S120 PolarHBondContact O-N 3.13Å; Q117-S120 PolarHBondContact O-OG 2.94Å
121A63Low68.9Low71 Ų71135.8 Ų135.859%0.58769%0.688SS**Hα-helixtrans-90-7.7-179.100000113.7Q117 D118 E119 P123Q117-A121 WeakPolarHBondContact O-CB 3.47Å; Q117-A121 PolarHBondContact O-N 3.27Å; D118-A121 PolarHBondContact O-N 3.05Å; E119-A121 VanDerWaalsContact C-N 3.29Å; E119-A121 PolarHBondContact O-N 3.13Å; A121-P123 VanDerWaalsContact O-CD 3.24Å; A121-P123 WeakPolarHBondContact O-CD 3.46Å
122S53.4Low66.5Low89 Ų89135.2 Ų135.262%0.62270%0.699SS**SBendtrans-80.7108.6174.9-69.40000110.3D118 G124D118-S122 PolarHBondContact O-N 3.44Å; D118-S122 PolarHBondContact O-OG 2.59Å; S122-G124 PolarHBondContact O-N 3.11Å
123P51.5Low64.7Low122 Ų122141.1 Ų141.179%0.79274%0.742SS**  trans-72.9122.7179.9-5.923.4000108.7A121 Q125A121-P123 VanDerWaalsContact O-CD 3.24Å; A121-P123 WeakPolarHBondContact O-CD 3.46Å; P123-Q125 PolarHBondContact O-N 2.65Å; P123-Q125 VanDerWaalsContact O-N 3.14Å
124G49.9Very low63.3Low72 Ų72141.4 Ų141.474%0.74275%0.749SS**  trans-50.9121167.300000110.6S122 E126S122-G124 PolarHBondContact O-N 3.11Å; G124-E126 PolarHBondContact O-N 3.24Å
125Q51.5Low61.9Low209 Ų209142.5 Ų142.598%0.97776%0.761SS**  trans-67.672.5159.1-83.9179-89.900108.8P123P123-Q125 PolarHBondContact O-N 2.65Å; P123-Q125 VanDerWaalsContact O-N 3.14Å
126E51.2Low60.4Low174 Ų174146.2 Ų146.281%0.81378%0.777SS**  trans-147.888.2166.2-161.9168.5-162.900109.4G124G124-E126 PolarHBondContact O-N 3.24Å
127R54.4Low58.8Low244 Ų244145.9 Ų145.992%0.92179%0.789SS**  trans16570.9152-89.6162.1-167.7-152.86.5108.8
128R54.1Low57.3Low227 Ų227148.1 Ų148.186%0.85781%0.806SS**  trans-129.3103.3153.3-84.7-170.4-174.4179.64.1110.5
129M57.2Low55.9Low173 Ų173150.7 Ų150.785%0.85282%0.821SS**  trans78.691.3143.1-52.9-173.6-165.700116.9
130A54.9Low54.4Low105 Ų105151.4 Ų151.487%0.86883%0.833SS**  trans-130.288.515000000109.6
131R52.2Low53.2Low249 Ų249155.5 Ų155.594%0.9485%0.845SS**  trans-178.2126154.2-117.3175.4170.4168.8-2.7105.7
132A42.2Very low52.4Low82 Ų82162.6 Ų162.668%0.67887%0.866SS**  cis-150.8178.329.200000110.6
133P56.3Low52.3Low205 Ų205169.3 Ų169.3100%1.33189%0.888SS**  -107.50106.4-12.528.9000113.4

Retrieved 133 of 133 residues in 100.4 ms (Link to these results)

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