A0A3B3U8I0_9TELE Loading...

RWD domain containing 4

AlphaFold DB , UniProt , Accession A0A3B3U8I0, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 185 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
1M58.3Low86.5Confident166 Ų16668 Ų6882%0.81835%0.35SS*.  0145.70-72-179.8-78.600106.1D6 M9M1-D6 WeakPolarHBondContact CB-OD1 3.35Å; M1-D6 WeakPolarHBondContact CB-OD2 3.45Å; M1-M9 HydrophobicContact CE-CE 4.29Å; M1-M9 HydrophobicContact CG-CE 4.47Å; M1-M9 HydrophobicContact SD-CE 3.28Å; M1-M9 WeakPolarHBondContact SD-CE 3.47Å; M1-M9 HydrophobicContact SD-SD 4.29Å
2T72.4Confident87.4Confident82 Ų8274.3 Ų74.350%0.50338%0.376SS..  trans-79.4149.5174.759.50000108.7N4 E5 D6T2-N4 PolarHBondContact O-N 2.7Å; T2-E5 PolarHBondContact N-OE2 3.42Å; T2-E5 PolarHBondContact O-N 3.22Å; T2-E5 VanDerWaalsContact OG1-CD 3.32Å; T2-E5 WeakPolarHBondContact OG1-CG 3.21Å; T2-E5 PolarHBondContact OG1-OE2 3.33Å; T2-E5 VanDerWaalsContact OG1-OE2 3.14Å; T2-D6 PolarHBondContact O-N 3.29Å; T2-D6 VanDerWaalsContact O-N 3.09Å
3A74.1Confident88.2Confident18 Ų1872.2 Ų72.215%0.14938%0.377CS..Hα-helixtrans-50.2-32.8-179.600000113.1Q7A3-Q7 WeakPolarHBondContact O-CB 3.41Å; A3-Q7 WeakPolarHBondContact O-CG 3.42Å; A3-Q7 PolarHBondContact O-N 3.23Å
4N85.3Confident88.8Confident96 Ų9667.1 Ų67.151%0.51335%0.351SS..Hα-helixtrans-71.2-40177-163.733.2000113.3T2 Q7 E8T2-N4 PolarHBondContact O-N 2.7Å; N4-Q7 PolarHBondContact O-N 3.35Å; N4-E8 WeakPolarHBondContact O-CB 3.44Å; N4-E8 WeakPolarHBondContact O-CG 3.31Å; N4-E8 PolarHBondContact O-N 3.49Å
5E91.8Very high89.3Confident95 Ų9571 Ų7144%0.44436%0.359SS..Hα-helixtrans-65.7-41.2175.3-69.8165.1155.800111.1T2 Q7 E8 M9T2-E5 PolarHBondContact N-OE2 3.42Å; T2-E5 PolarHBondContact O-N 3.22Å; T2-E5 VanDerWaalsContact OG1-CD 3.32Å; T2-E5 WeakPolarHBondContact OG1-CG 3.21Å; T2-E5 PolarHBondContact OG1-OE2 3.33Å; T2-E5 VanDerWaalsContact OG1-OE2 3.14Å; E5-Q7 VanDerWaalsContact C-N 3.35Å; E5-E8 PolarHBondContact O-N 3.43Å; E5-M9 WeakPolarHBondContact O-CE 3.48Å; E5-M9 WeakPolarHBondContact O-CG 3.45Å; E5-M9 PolarHBondContact O-N 3.37Å
6D91.9Very high89.8Confident38 Ų3871.9 Ų71.920%0.20337%0.373CS..Hα-helixtrans-63.8-40.6177.6-69-39000111.7M1 T2 M9 E10 P56M1-D6 WeakPolarHBondContact CB-OD1 3.35Å; M1-D6 WeakPolarHBondContact CB-OD2 3.45Å; T2-D6 PolarHBondContact O-N 3.29Å; T2-D6 VanDerWaalsContact O-N 3.09Å; D6-M9 WeakPolarHBondContact OD1-CE 3.27Å; D6-E10 WeakPolarHBondContact O-CB 3.11Å; D6-E10 PolarHBondContact O-N 3Å; D6-P56 HydrophobicContact CB-CG 4.37Å
7Q94.2Very high90.3Very high14 Ų1472.6 Ų72.67%0.06538%0.377CS..Hα-helixtrans-63.2-46.9172.9-77.7174.429.600112.7A3 N4 E5 M9 E10 L11 W51 P52 Y55A3-Q7 WeakPolarHBondContact O-CB 3.41Å; A3-Q7 WeakPolarHBondContact O-CG 3.42Å; A3-Q7 PolarHBondContact O-N 3.23Å; N4-Q7 PolarHBondContact O-N 3.35Å; E5-Q7 VanDerWaalsContact C-N 3.35Å; Q7-M9 PolarHBondContact O-N 3.03Å; Q7-E10 PolarHBondContact O-N 3.25Å; Q7-L11 VanDerWaalsContact O-CB 3.28Å; Q7-L11 WeakPolarHBondContact O-CB 3.32Å; Q7-L11 PolarHBondContact O-N 3.2Å; Q7-W51 HydrophobicContact CB-CE3 3.82Å; Q7-W51 HydrophobicContact CB-CZ3 3.69Å; Q7-W51 HydrophobicContact CG-CD2 4.22Å; Q7-W51 HydrophobicContact CG-CE3 3.63Å; Q7-W51 HydrophobicContact CG-CZ3 3.99Å; Q7-W51 WeakPolarHBondContact O-CH2 3.46Å; Q7-W51 VanDerWaalsContact O-CZ3 3.28Å; Q7-W51 WeakPolarHBondContact O-CZ3 3.48Å; Q7-P52 PolarHBondContact NE2-O 3.23Å; Q7-Y55 HydrophobicContact CG-CD1 3.8Å; Q7-Y55 HydrophobicContact CG-CE1 4.49Å; Q7-Y55 PolarHBondContact NE2-O 3.4Å
8E94.8Very high90.6Very high116 Ų11669.3 Ų69.354%0.54236%0.359SS..Hα-helixtrans-62.5-43.1-179.5-76.4176.9-176.900111.8N4 E5 L11 E12N4-E8 WeakPolarHBondContact O-CB 3.44Å; N4-E8 WeakPolarHBondContact O-CG 3.31Å; N4-E8 PolarHBondContact O-N 3.49Å; E5-E8 PolarHBondContact O-N 3.43Å; E8-L11 PolarHBondContact O-N 3.09Å; E8-E12 PolarHBondContact O-N 3.38Å
9M95.8Very high90.8Very high93 Ų9374.5 Ų74.546%0.45838%0.381SS..Hα-helixtrans-65-43.5176.4-70.5-174-7000112.1M1 E5 D6 Q7 L11 E12 A13M1-M9 HydrophobicContact CE-CE 4.29Å; M1-M9 HydrophobicContact CG-CE 4.47Å; M1-M9 HydrophobicContact SD-CE 3.28Å; M1-M9 WeakPolarHBondContact SD-CE 3.47Å; M1-M9 HydrophobicContact SD-SD 4.29Å; E5-M9 WeakPolarHBondContact O-CE 3.48Å; E5-M9 WeakPolarHBondContact O-CG 3.45Å; E5-M9 PolarHBondContact O-N 3.37Å; D6-M9 WeakPolarHBondContact OD1-CE 3.27Å; Q7-M9 PolarHBondContact O-N 3.03Å; M9-L11 VanDerWaalsContact C-N 3.34Å; M9-E12 PolarHBondContact O-N 2.91Å; M9-A13 WeakPolarHBondContact O-CB 3.35Å; M9-A13 PolarHBondContact O-N 2.9Å
10E96.9Very high91Very high14 Ų1474.7 Ų74.77%0.06540%0.403CS..Hα-helixtrans-65.4-39.5177-175.6169.9-160.600111.3D6 Q7 E12 A13 L14 W51 Y55 A95 M96 M97D6-E10 WeakPolarHBondContact O-CB 3.11Å; D6-E10 PolarHBondContact O-N 3Å; Q7-E10 PolarHBondContact O-N 3.25Å; E10-E12 PolarHBondContact O-N 2.8Å; E10-A13 WeakPolarHBondContact O-CB 3.36Å; E10-A13 PolarHBondContact O-N 2.81Å; E10-L14 HydrophobicContact CG-CD1 4.16Å; E10-L14 HydrophobicContact CG-CG 4.27Å; E10-L14 WeakPolarHBondContact O-CB 3.45Å; E10-L14 VanDerWaalsContact O-CG 3.27Å; E10-L14 WeakPolarHBondContact O-CG 3.29Å; E10-L14 PolarHBondContact O-N 2.77Å; E10-W51 HydrophobicContact CB-CH2 4.12Å; E10-W51 HydrophobicContact CB-CZ2 4.33Å; E10-W51 HydrophobicContact CG-CH2 4.25Å; E10-W51 HydrophobicContact CG-CZ2 4.03Å; E10-Y55 VanDerWaalsContact CD-OH 3.25Å; E10-Y55 PolarHBondContact OE1-OH 2.95Å; E10-Y55 WeakPolarHBondContact OE2-CE1 3.37Å; E10-Y55 VanDerWaalsContact OE2-CZ 3.25Å; E10-Y55 PolarHBondContact OE2-OH 3.33Å; E10-A95 HydrophobicContact CB-CB 4.08Å; E10-A95 HydrophobicContact CG-CB 3.89Å; E10-A95 WeakPolarHBondContact OE1-CA 3.3Å; E10-A95 WeakPolarHBondContact OE2-CA 3.47Å; E10-A95 WeakPolarHBondContact OE2-CB 3.44Å; E10-M96 PolarHBondContact OE1-N 2.85Å; E10-M97 WeakPolarHBondContact OE1-CB 3.4Å; E10-M97 WeakPolarHBondContact OE1-CG 3.18Å; E10-M97 PolarHBondContact OE1-N 2.99Å
11L96.4Very high91.1Very high16 Ų1673.8 Ų73.88%0.08440%0.398CS..Hα-helixtrans-61.2-45.4177.2176.161.2000111.6Q7 E8 M9 A13 L14 R15 P29 F32 W51Q7-L11 VanDerWaalsContact O-CB 3.28Å; Q7-L11 WeakPolarHBondContact O-CB 3.32Å; Q7-L11 PolarHBondContact O-N 3.2Å; E8-L11 PolarHBondContact O-N 3.09Å; M9-L11 VanDerWaalsContact C-N 3.34Å; L11-A13 VanDerWaalsContact C-N 3.33Å; L11-L14 PolarHBondContact O-N 3.46Å; L11-R15 HydrophobicContact CD1-CG 4.44Å; L11-R15 WeakPolarHBondContact O-CG 3.45Å; L11-R15 PolarHBondContact O-N 3.05Å; L11-P29 HydrophobicContact CD2-CB 4.07Å; L11-F32 HydrophobicContact CD1-CE1 3.49Å; L11-F32 VanDerWaalsContact CD1-CE1 3.49Å; L11-F32 HydrophobicContact CD1-CZ 3.78Å; L11-W51 HydrophobicContact CB-CH2 3.94Å; L11-W51 HydrophobicContact CB-CZ3 4.08Å
12E97.1Very high92.8Very high144 Ų14473.3 Ų73.367%0.67339%0.393SS*.Hα-helixtrans-62.1-42.8176.4-173.3172.7-158.900111.3E8 M9 E10 R15 S16E8-E12 PolarHBondContact O-N 3.38Å; M9-E12 PolarHBondContact O-N 2.91Å; E10-E12 PolarHBondContact O-N 2.8Å; E12-R15 PolarHBondContact O-N 3.14Å; E12-S16 PolarHBondContact O-N 3.49Å
13A97.4Very high93.8Very high46 Ų4670.6 Ų70.638%0.3838%0.377SS..Hα-helixtrans-60.8-47.1175.200000111.8M9 E10 L11 R15 S16 I17M9-A13 WeakPolarHBondContact O-CB 3.35Å; M9-A13 PolarHBondContact O-N 2.9Å; E10-A13 WeakPolarHBondContact O-CB 3.36Å; E10-A13 PolarHBondContact O-N 2.81Å; L11-A13 VanDerWaalsContact C-N 3.33Å; A13-R15 VanDerWaalsContact C-N 3.34Å; A13-R15 PolarHBondContact O-N 3.34Å; A13-S16 PolarHBondContact O-N 2.98Å; A13-S16 VanDerWaalsContact O-N 3.16Å; A13-I17 WeakPolarHBondContact O-CB 3.48Å; A13-I17 VanDerWaalsContact O-CG1 3.23Å; A13-I17 WeakPolarHBondContact O-CG1 3.23Å; A13-I17 PolarHBondContact O-N 2.88Å
14L97.2Very high94.9Very high2 Ų270.8 Ų70.81%0.0138%0.375CS..Hα-helixtrans-60.1-43.4177.7-71.5172.6000111.8E10 L11 S16 I17 Y18 F24 W51 M97 F101E10-L14 HydrophobicContact CG-CD1 4.16Å; E10-L14 HydrophobicContact CG-CG 4.27Å; E10-L14 WeakPolarHBondContact O-CB 3.45Å; E10-L14 VanDerWaalsContact O-CG 3.27Å; E10-L14 WeakPolarHBondContact O-CG 3.29Å; E10-L14 PolarHBondContact O-N 2.77Å; L11-L14 PolarHBondContact O-N 3.46Å; L14-S16 VanDerWaalsContact C-N 3.29Å; L14-S16 PolarHBondContact O-N 3.08Å; L14-I17 PolarHBondContact O-N 3.04Å; L14-Y18 HydrophobicContact CD2-CD2 4.13Å; L14-Y18 HydrophobicContact CD2-CE2 3.76Å; L14-Y18 WeakPolarHBondContact O-CB 3.49Å; L14-Y18 WeakPolarHBondContact O-CD2 3.38Å; L14-Y18 PolarHBondContact O-N 3.39Å; L14-F24 HydrophobicContact CB-CZ 4.27Å; L14-W51 HydrophobicContact CD1-CH2 4.45Å; L14-W51 HydrophobicContact CD1-CZ2 4.09Å; L14-M97 HydrophobicContact CD1-CB 3.7Å; L14-M97 HydrophobicContact CD1-CG 4.05Å; L14-M97 HydrophobicContact CD2-CB 3.95Å; L14-M97 HydrophobicContact CG-CB 4.36Å; L14-F101 HydrophobicContact CD2-CD2 4.43Å; L14-F101 HydrophobicContact CD2-CE2 4.27Å
15R96.1Very high95.4Very high125 Ų12571.6 Ų71.647%0.47237%0.374SS..Hα-helixtrans-60.8-38.6176.1-75.5173.8173.1173.52.5112.4L11 E12 A13 E19 E26L11-R15 HydrophobicContact CD1-CG 4.44Å; L11-R15 WeakPolarHBondContact O-CG 3.45Å; L11-R15 PolarHBondContact O-N 3.05Å; E12-R15 PolarHBondContact O-N 3.14Å; A13-R15 VanDerWaalsContact C-N 3.34Å; A13-R15 PolarHBondContact O-N 3.34Å; R15-E19 WeakPolarHBondContact O-CB 3.36Å; R15-E19 PolarHBondContact O-N 3.08Å; R15-E26 IonicContact CZ-OE1 3.35Å; R15-E26 IonicContact CZ-OE2 3.88Å; R15-E26 IonicContact NE-OE1 2.74Å; R15-E26 IonicContact NE-OE2 2.7Å; R15-E26 PolarHBondContact NE-OE2 3.49Å; R15-E26 VanDerWaalsContact NH2-CD 3.32Å; R15-E26 IonicContact NH2-OE1 3.13Å; R15-E26 PolarHBondContact NH2-OE1 2.93Å; R15-E26 IonicContact NH2-OE2 3.66Å; R15-E26 PolarHBondContact NH2-OE2 3.13Å; R15-E26 VanDerWaalsContact NH2-OE2 3.13Å
16S97.7Very high95.5Very high85 Ų8570.3 Ų70.359%0.59437%0.368SS*.Hα-helixtrans-73.2-38.1177.2-176.90000112.7E12 A13 L14E12-S16 PolarHBondContact O-N 3.49Å; A13-S16 PolarHBondContact O-N 2.98Å; A13-S16 VanDerWaalsContact O-N 3.16Å; L14-S16 VanDerWaalsContact C-N 3.29Å; L14-S16 PolarHBondContact O-N 3.08Å
17I97.2Very high95.7Very high85 Ų8573.9 Ų73.944%0.43639%0.386SS..Hα-helixtrans-70.2-44.8-179-69.4163.9000110.6A13 L14 Y98A13-I17 WeakPolarHBondContact O-CB 3.48Å; A13-I17 VanDerWaalsContact O-CG1 3.23Å; A13-I17 WeakPolarHBondContact O-CG1 3.23Å; A13-I17 PolarHBondContact O-N 2.88Å; L14-I17 PolarHBondContact O-N 3.04Å; I17-Y98 HydrophobicContact CD1-CD2 3.93Å; I17-Y98 HydrophobicContact CD1-CE2 4.4Å; I17-Y98 HydrophobicContact CD1-CG 4.32Å; I17-Y98 HydrophobicContact CG2-CD2 3.95Å; I17-Y98 HydrophobicContact CG2-CE2 3.84Å
18Y96.1Very high95.7Very high13 Ų1375 Ų755%0.05140%0.395CS..THydrogen-bonded Turntrans-99.221.6-175.4-62.3-69.2000112.8L14 G20 D21 F24 F34 Y98 F101 E102L14-Y18 HydrophobicContact CD2-CD2 4.13Å; L14-Y18 HydrophobicContact CD2-CE2 3.76Å; L14-Y18 WeakPolarHBondContact O-CB 3.49Å; L14-Y18 WeakPolarHBondContact O-CD2 3.38Å; L14-Y18 PolarHBondContact O-N 3.39Å; Y18-G20 PolarHBondContact O-N 3.29Å; Y18-G20 VanDerWaalsContact O-N 3.1Å; Y18-D21 HydrophobicContact CD1-CB 4.28Å; Y18-D21 PolarHBondContact O-N 3.48Å; Y18-F24 HydrophobicContact CD1-CB 4.19Å; Y18-F24 HydrophobicContact CD2-CB 4.46Å; Y18-F24 HydrophobicContact CD2-CD1 4.44Å; Y18-F24 HydrophobicContact CD2-CD2 4.12Å; Y18-F24 HydrophobicContact CD2-CG 4.09Å; Y18-F24 HydrophobicContact CG-CB 3.86Å; Y18-F24 HydrophobicContact CG-CD1 4.29Å; Y18-F24 HydrophobicContact CG-CD2 4.37Å; Y18-F24 AromaticContact CG-CG 3.92Å; Y18-F24 HydrophobicContact CG-CG 3.92Å; Y18-F34 HydrophobicContact CD1-CE2 4.32Å; Y18-F34 AromaticContact CE1-CE2 3.89Å; Y18-F34 HydrophobicContact CE1-CE2 3.89Å; Y18-F34 HydrophobicContact CE1-CZ 4.44Å; Y18-Y98 HydrophobicContact CE2-CD2 4.24Å; Y18-Y98 WeakPolarHBondContact OH-CD2 3.34Å; Y18-F101 AromaticContact CE2-CD2 3.82Å; Y18-F101 HydrophobicContact CE2-CD2 3.82Å; Y18-F101 HydrophobicContact CE2-CE2 4.41Å; Y18-E102 PolarHBondContact OH-OE1 3.04Å
19E95.6Very high95.7Very high167 Ų16773.1 Ų73.178%0.7839%0.393SS*.THydrogen-bonded Turntrans-60117.1175.6-170.9177.2-168.800110R15 D21R15-E19 WeakPolarHBondContact O-CB 3.36Å; R15-E19 PolarHBondContact O-N 3.08Å; E19-D21 VanDerWaalsContact C-N 3.29Å; E19-D21 PolarHBondContact O-N 2.99Å
20G93Very high95.6Very high79 Ų7971.4 Ų71.481%0.81439%0.388SS*.THydrogen-bonded Turntrans793.8-178.800000115.3Y18Y18-G20 PolarHBondContact O-N 3.29Å; Y18-G20 VanDerWaalsContact O-N 3.1Å
21D94.7Very high95.5Very high55 Ų5572.4 Ų72.429%0.29440%0.396SS..  trans-81.5118.1171.8-170-10.7000110.6Y18 E19 C23 F24Y18-D21 HydrophobicContact CD1-CB 4.28Å; Y18-D21 PolarHBondContact O-N 3.48Å; E19-D21 VanDerWaalsContact C-N 3.29Å; E19-D21 PolarHBondContact O-N 2.99Å; D21-C23 PolarHBondContact O-N 3.27Å; D21-C23 WeakPolarHBondContact OD1-CB 3.4Å; D21-C23 PolarHBondContact OD1-N 3.05Å; D21-C23 PolarHBondContact OD1-SG 3.13Å; D21-C23 VanDerWaalsContact OD1-SG 3.34Å; D21-F24 PolarHBondContact O-N 2.98Å
22E92.9Very high95.5Very high156 Ų15671.8 Ų71.873%0.72939%0.393SS*.THydrogen-bonded Turntrans-70.5-16.7177.8-60.8-173.3170.700113.6
23C94.1Very high95.5Very high25 Ų2566.9 Ų66.917%0.16937%0.37CS..THydrogen-bonded Turntrans-74.4-29.9179.1-57.50000111.7D21 F34 R35D21-C23 PolarHBondContact O-N 3.27Å; D21-C23 WeakPolarHBondContact OD1-CB 3.4Å; D21-C23 PolarHBondContact OD1-N 3.05Å; D21-C23 PolarHBondContact OD1-SG 3.13Å; D21-C23 VanDerWaalsContact OD1-SG 3.34Å; C23-F34 HydrophobicContact CB-CE2 4.19Å; C23-F34 CarbonylContact O-C 3.53Å; C23-F34 WeakPolarHBondContact O-CA 3.5Å; C23-R35 HydrophobicContact CB-CB 4.19Å; C23-R35 WeakPolarHBondContact CB-O 3.42Å; C23-R35 PolarHBondContact O-N 3.39Å; C23-R35 PolarHBondContact SG-NH2 3.03Å
24F96.4Very high95.5Very high22 Ų2264.8 Ų64.810%0.09635%0.352CS..EExtended strand (participates in β ladder)trans-96.6130.6179179.7-101.9000111.1L14 Y18 D21 E26 F32 F34 F101L14-F24 HydrophobicContact CB-CZ 4.27Å; Y18-F24 HydrophobicContact CD1-CB 4.19Å; Y18-F24 HydrophobicContact CD2-CB 4.46Å; Y18-F24 HydrophobicContact CD2-CD1 4.44Å; Y18-F24 HydrophobicContact CD2-CD2 4.12Å; Y18-F24 HydrophobicContact CD2-CG 4.09Å; Y18-F24 HydrophobicContact CG-CB 3.86Å; Y18-F24 HydrophobicContact CG-CD1 4.29Å; Y18-F24 HydrophobicContact CG-CD2 4.37Å; Y18-F24 AromaticContact CG-CG 3.92Å; Y18-F24 HydrophobicContact CG-CG 3.92Å; D21-F24 PolarHBondContact O-N 2.98Å; F24-E26 HydrophobicContact CE1-CB 4.43Å; F24-F32 HydrophobicContact CE2-CB 4.03Å; F24-F32 AromaticContact CE2-CD1 3.94Å; F24-F32 HydrophobicContact CE2-CD1 3.94Å; F24-F32 HydrophobicContact CE2-CG 4.24Å; F24-F32 AromaticContact CZ-CD1 3.59Å; F24-F32 HydrophobicContact CZ-CD1 3.59Å; F24-F32 HydrophobicContact CZ-CE1 4.26Å; F24-F32 HydrophobicContact CZ-CG 4.34Å; F24-F34 HydrophobicContact CB-CD2 4.02Å; F24-F34 HydrophobicContact CB-CE2 4.42Å; F24-F34 HydrophobicContact CD2-CD2 4.18Å; F24-F101 AromaticContact CD2-CE2 3.82Å; F24-F101 HydrophobicContact CD2-CE2 3.82Å; F24-F101 HydrophobicContact CD2-CZ 4.25Å; F24-F101 AromaticContact CE2-CE2 3.64Å; F24-F101 HydrophobicContact CE2-CE2 3.64Å; F24-F101 HydrophobicContact CE2-CZ 4.04Å
25K95.9Very high95.5Very high114 Ų11466.8 Ų66.850%0.49636%0.36SS..EExtended strand (participates in β ladder)trans-133.3119.9175.9-66.2-178.7-177.6176.10109.9I27 F32 Q33K25-I27 HydrophobicContact CB-CD1 4.32Å; K25-I27 PolarHBondContact O-N 3.19Å; K25-F32 WeakPolarHBondContact O-CA 3.49Å; K25-Q33 HydrophobicContact CB-CB 4.23Å; K25-Q33 PolarHBondContact N-O 3.2Å; K25-Q33 PolarHBondContact O-N 3.32Å
26E95.1Very high95.5Very high67 Ų6760.8 Ų60.831%0.31334%0.337SS..EExtended strand (participates in β ladder)trans-79115.5166.4-172.9-176.6150.700109.2R15 F24 S28 F32R15-E26 IonicContact CZ-OE1 3.35Å; R15-E26 IonicContact CZ-OE2 3.88Å; R15-E26 IonicContact NE-OE1 2.74Å; R15-E26 IonicContact NE-OE2 2.7Å; R15-E26 PolarHBondContact NE-OE2 3.49Å; R15-E26 VanDerWaalsContact NH2-CD 3.32Å; R15-E26 IonicContact NH2-OE1 3.13Å; R15-E26 PolarHBondContact NH2-OE1 2.93Å; R15-E26 IonicContact NH2-OE2 3.66Å; R15-E26 PolarHBondContact NH2-OE2 3.13Å; R15-E26 VanDerWaalsContact NH2-OE2 3.13Å; F24-E26 HydrophobicContact CE1-CB 4.43Å; E26-S28 WeakPolarHBondContact CG-O 3.39Å; E26-F32 HydrophobicContact CB-CD1 4.42Å; E26-F32 HydrophobicContact CG-CD1 4.19Å; E26-F32 HydrophobicContact CG-CE1 4.02Å
27I95.4Very high95.2Very high113 Ų11357.6 Ų57.658%0.57932%0.317SS*.EExtended strand (participates in β ladder)trans-88.6-39.5176-51.1-58.4000109.8K25 S31 Q33K25-I27 HydrophobicContact CB-CD1 4.32Å; K25-I27 PolarHBondContact O-N 3.19Å; I27-S31 WeakPolarHBondContact CB-O 3.49Å; I27-S31 PolarHBondContact N-O 2.91Å; I27-Q33 HydrophobicContact CD1-CB 4.16Å; I27-Q33 HydrophobicContact CG1-CB 4.14Å
28S94.4Very high94.8Very high37 Ų3759.1 Ų59.126%0.25933%0.326SS..EExtended strand (participates in β ladder)trans-151169.6172.383.60000109.5E26 V30 S31E26-S28 WeakPolarHBondContact CG-O 3.39Å; S28-V30 PolarHBondContact O-N 3.28Å; S28-V30 PolarHBondContact OG-N 3.01Å; S28-S31 PolarHBondContact N-O 3.26Å; S28-S31 PolarHBondContact O-N 3.5Å; S28-S31 WeakPolarHBondContact OG-CB 3.47Å; S28-S31 PolarHBondContact OG-N 3.18Å; S28-S31 VanDerWaalsContact OG-N 3.17Å; S28-S31 PolarHBondContact OG-OG 3.32Å
29P93.6Very high94.2Very high78 Ų7863.9 Ų63.951%0.50635%0.352SS..THydrogen-bonded Turntrans-57.4-16.9177.5-26.135.8000114.9L11 F32L11-P29 HydrophobicContact CD2-CB 4.07Å; P29-F32 WeakPolarHBondContact O-CZ 3.39Å
30V94.8Very high93.6Very high56 Ų5665 Ų6534%0.33936%0.358SS..THydrogen-bonded Turntrans-122.810.9179.9-62.30000112.1S28 S50 W51S28-V30 PolarHBondContact O-N 3.28Å; S28-V30 PolarHBondContact OG-N 3.01Å; V30-S50 CarbonylContact O-C 3.55Å; V30-S50 WeakPolarHBondContact O-CA 3.28Å; V30-S50 WeakPolarHBondContact O-CB 3.41Å; V30-W51 HydrophobicContact CB-CB 4.18Å; V30-W51 HydrophobicContact CG1-CE3 4.43Å; V30-W51 PolarHBondContact O-N 3.25Å
31S95.6Very high93.3Very high35 Ų3563.8 Ų63.825%0.24533%0.332CS..EExtended strand (participates in β ladder)trans-144.9129.2-178.6-49.30000112I27 S28 I49I27-S31 WeakPolarHBondContact CB-O 3.49Å; I27-S31 PolarHBondContact N-O 2.91Å; S28-S31 PolarHBondContact N-O 3.26Å; S28-S31 PolarHBondContact O-N 3.5Å; S28-S31 WeakPolarHBondContact OG-CB 3.47Å; S28-S31 PolarHBondContact OG-N 3.18Å; S28-S31 VanDerWaalsContact OG-N 3.17Å; S28-S31 PolarHBondContact OG-OG 3.32Å; S31-I49 CarbonylContact C-O 3.54Å; S31-I49 VanDerWaalsContact CA-O 3.31Å; S31-I49 WeakPolarHBondContact CA-O 3.12Å
32F96.4Very high92.9Very high3 Ų365.9 Ų65.91%0.01335%0.347CS..EExtended strand (participates in β ladder)trans-132.5149.6-169.2-47.5-79.7000109.9L11 F24 K25 E26 P29 I49 W51 M97 F101L11-F32 HydrophobicContact CD1-CE1 3.49Å; L11-F32 VanDerWaalsContact CD1-CE1 3.49Å; L11-F32 HydrophobicContact CD1-CZ 3.78Å; F24-F32 HydrophobicContact CE2-CB 4.03Å; F24-F32 AromaticContact CE2-CD1 3.94Å; F24-F32 HydrophobicContact CE2-CD1 3.94Å; F24-F32 HydrophobicContact CE2-CG 4.24Å; F24-F32 AromaticContact CZ-CD1 3.59Å; F24-F32 HydrophobicContact CZ-CD1 3.59Å; F24-F32 HydrophobicContact CZ-CE1 4.26Å; F24-F32 HydrophobicContact CZ-CG 4.34Å; K25-F32 WeakPolarHBondContact O-CA 3.49Å; E26-F32 HydrophobicContact CB-CD1 4.42Å; E26-F32 HydrophobicContact CG-CD1 4.19Å; E26-F32 HydrophobicContact CG-CE1 4.02Å; P29-F32 WeakPolarHBondContact O-CZ 3.39Å; F32-I49 PolarHBondContact N-O 3.48Å; F32-I49 PolarHBondContact O-N 3.2Å; F32-W51 AromaticContact CE2-CD2 3.7Å; F32-W51 HydrophobicContact CE2-CD2 3.7Å; F32-W51 AromaticContact CE2-CE2 3.5Å; F32-W51 VanDerWaalsContact CE2-CE2 3.5Å; F32-W51 HydrophobicContact CE2-CE3 4.03Å; F32-W51 HydrophobicContact CE2-CG 4.28Å; F32-W51 HydrophobicContact CE2-CH2 4.03Å; F32-W51 AromaticContact CE2-CZ2 3.7Å; F32-W51 HydrophobicContact CE2-CZ2 3.7Å; F32-W51 HydrophobicContact CE2-CZ3 4.17Å; F32-W51 AromaticContact CE2-NE1 3.9Å; F32-W51 HydrophobicContact CZ-CD2 4.29Å; F32-W51 HydrophobicContact CZ-CE3 4.17Å; F32-W51 AromaticContact CZ-CH2 3.81Å; F32-W51 HydrophobicContact CZ-CH2 3.81Å; F32-W51 AromaticContact CZ-CZ2 3.94Å; F32-W51 HydrophobicContact CZ-CZ2 3.94Å; F32-W51 AromaticContact CZ-CZ3 3.92Å; F32-W51 HydrophobicContact CZ-CZ3 3.92Å; F32-M97 HydrophobicContact CB-CE 4.43Å; F32-M97 HydrophobicContact CD2-CE 3.76Å; F32-M97 HydrophobicContact CE2-CE 4.47Å; F32-M97 HydrophobicContact CG-CE 4.33Å; F32-F101 HydrophobicContact CB-CZ 4.32Å
33Q97.1Very high92.7Very high41 Ų4161.6 Ų61.619%0.19233%0.326CS..EExtended strand (participates in β ladder)trans-124.1127.6172.317917281.800108.4K25 I27 I46 L47 D48K25-Q33 HydrophobicContact CB-CB 4.23Å; K25-Q33 PolarHBondContact N-O 3.2Å; K25-Q33 PolarHBondContact O-N 3.32Å; I27-Q33 HydrophobicContact CD1-CB 4.16Å; I27-Q33 HydrophobicContact CG1-CB 4.14Å; Q33-I46 HydrophobicContact CG-CG2 3.26Å; Q33-L47 CarbonylContact C-O 3.58Å; Q33-L47 VanDerWaalsContact CA-O 3.28Å; Q33-L47 WeakPolarHBondContact CA-O 3.29Å; Q33-D48 WeakPolarHBondContact CG-OD1 3.32Å; Q33-D48 PolarHBondContact NE2-OD1 2.73Å
34F97.1Very high92.7Very high3 Ų360.4 Ų60.41%0.01332%0.318CS..EExtended strand (participates in β ladder)trans-128.1124.5179.9-174.1-105.3000110.9Y18 C23 F24 V36 I46 L47 F101Y18-F34 HydrophobicContact CD1-CE2 4.32Å; Y18-F34 AromaticContact CE1-CE2 3.89Å; Y18-F34 HydrophobicContact CE1-CE2 3.89Å; Y18-F34 HydrophobicContact CE1-CZ 4.44Å; C23-F34 HydrophobicContact CB-CE2 4.19Å; C23-F34 CarbonylContact O-C 3.53Å; C23-F34 WeakPolarHBondContact O-CA 3.5Å; F24-F34 HydrophobicContact CB-CD2 4.02Å; F24-F34 HydrophobicContact CB-CE2 4.42Å; F24-F34 HydrophobicContact CD2-CD2 4.18Å; F34-V36 HydrophobicContact CD1-CG2 3.88Å; F34-V36 HydrophobicContact CE1-CG2 3.97Å; F34-I46 CarbonylContact O-C 3.59Å; F34-I46 WeakPolarHBondContact O-CA 3.13Å; F34-L47 PolarHBondContact N-O 2.84Å; F34-L47 PolarHBondContact O-N 2.95Å; F34-F101 HydrophobicContact CB-CD1 3.56Å; F34-F101 HydrophobicContact CB-CE1 3.35Å; F34-F101 HydrophobicContact CB-CE2 4.49Å; F34-F101 HydrophobicContact CB-CG 4.22Å; F34-F101 HydrophobicContact CB-CZ 3.86Å; F34-F101 HydrophobicContact CD1-CB 3.92Å; F34-F101 AromaticContact CD1-CD1 3.63Å; F34-F101 HydrophobicContact CD1-CD1 3.63Å; F34-F101 HydrophobicContact CD1-CE1 4.33Å; F34-F101 AromaticContact CD1-CG 3.9Å; F34-F101 HydrophobicContact CD1-CG 3.9Å; F34-F101 HydrophobicContact CD2-CB 4.44Å; F34-F101 HydrophobicContact CD2-CD1 4.3Å; F34-F101 HydrophobicContact CD2-CD2 4.27Å; F34-F101 HydrophobicContact CD2-CG 4.11Å; F34-F101 HydrophobicContact CE1-CB 3.78Å; F34-F101 HydrophobicContact CE1-CD1 4.39Å; F34-F101 HydrophobicContact CE1-CG 4.26Å; F34-F101 HydrophobicContact CE2-CB 4.34Å; F34-F101 HydrophobicContact CE2-CG 4.46Å; F34-F101 HydrophobicContact CG-CB 4.24Å; F34-F101 AromaticContact CG-CD1 3.57Å; F34-F101 HydrophobicContact CG-CD1 3.57Å; F34-F101 HydrophobicContact CG-CD2 4.34Å; F34-F101 AromaticContact CG-CE1 3.89Å; F34-F101 HydrophobicContact CG-CE1 3.89Å; F34-F101 AromaticContact CG-CG 3.81Å; F34-F101 HydrophobicContact CG-CG 3.81Å; F34-F101 HydrophobicContact CG-CZ 4.4Å; F34-F101 HydrophobicContact CZ-CB 4Å
35R96.5Very high92.6Very high43 Ų4359.3 Ų59.316%0.16231%0.313CS..EExtended strand (participates in β ladder)trans-88.2120.5175.7-171.6-177.470.7-151.8-4.9109.9C23 G37 I46C23-R35 HydrophobicContact CB-CB 4.19Å; C23-R35 WeakPolarHBondContact CB-O 3.42Å; C23-R35 PolarHBondContact O-N 3.39Å; C23-R35 PolarHBondContact SG-NH2 3.03Å; R35-G37 PolarHBondContact NE-O 3.37Å; R35-G37 VanDerWaalsContact NE-O 3.08Å; R35-I46 HydrophobicContact CB-CG1 4.21Å; R35-I46 HydrophobicContact CG-CG1 4.09Å
36V95.4Very high92.7Very high0 Ų054.9 Ų54.90%030%0.295CS..EExtended strand (participates in β ladder)trans-92.4121170.1178.60000108.5F34 A44 F45 L47 A104 Q108F34-V36 HydrophobicContact CD1-CG2 3.88Å; F34-V36 HydrophobicContact CE1-CG2 3.97Å; V36-A44 CarbonylContact O-C 3.53Å; V36-A44 WeakPolarHBondContact O-CA 3.31Å; V36-A44 VanDerWaalsContact O-CB 3.27Å; V36-A44 WeakPolarHBondContact O-CB 3.34Å; V36-F45 HydrophobicContact CB-CD1 4.27Å; V36-F45 HydrophobicContact CB-CD2 4.22Å; V36-F45 HydrophobicContact CB-CE1 3.93Å; V36-F45 HydrophobicContact CB-CE2 3.87Å; V36-F45 HydrophobicContact CB-CG 4.4Å; V36-F45 HydrophobicContact CB-CZ 3.71Å; V36-F45 HydrophobicContact CG1-CD1 4.42Å; V36-F45 HydrophobicContact CG1-CE1 3.75Å; V36-F45 HydrophobicContact CG1-CE2 4.4Å; V36-F45 HydrophobicContact CG1-CZ 3.73Å; V36-F45 HydrophobicContact CG2-CD2 4.35Å; V36-F45 HydrophobicContact CG2-CE2 3.72Å; V36-F45 HydrophobicContact CG2-CZ 3.83Å; V36-F45 PolarHBondContact N-O 3Å; V36-F45 PolarHBondContact O-N 2.97Å; V36-L47 HydrophobicContact CG2-CD1 4.07Å; V36-L47 HydrophobicContact CG2-CG 4.48Å; V36-A104 HydrophobicContact CG2-CB 3.86Å; V36-Q108 HydrophobicContact CG1-CB 3.8Å; V36-Q108 HydrophobicContact CG1-CG 3.73Å
37G91.9Very high92.8Very high17 Ų1751.7 Ų51.718%0.17528%0.28CS..SBendtrans85.8172.2-177.900000114.5R35 Q108R35-G37 PolarHBondContact NE-O 3.37Å; R35-G37 VanDerWaalsContact NE-O 3.08Å; G37-Q108 VanDerWaalsContact CA-OE1 3.29Å
38D89Confident92.8Very high117 Ų11748 Ų4863%0.62626%0.261SS*.  trans-79.3157.4-179.9-70.1-42.5000112.4E40 D41 A44D38-E40 PolarHBondContact O-N 3.3Å; D38-D41 HydrophobicContact CB-CB 4.5Å; D38-D41 WeakPolarHBondContact O-CB 3.46Å; D38-D41 PolarHBondContact O-N 3.36Å; D38-A44 WeakPolarHBondContact O-CB 3.49Å
39L83.1Confident93Very high113 Ų11346.4 Ų46.459%0.59225%0.25SC*.THydrogen-bonded Turntrans-61.7-29.3-177.6-150.279.1000112.9F68L39-F68 HydrophobicContact CD1-CE2 4.29Å
40E83.6Confident93.1Very high192 Ų19244.1 Ų44.190%0.89724%0.236SC*.THydrogen-bonded Turntrans-85.1-10.8179-60.2-174.6174.900112.8D38 T42D38-E40 PolarHBondContact O-N 3.3Å; E40-T42 PolarHBondContact O-N 3.47Å
41D86.6Confident93.2Very high52 Ų5242 Ų4228%0.27822%0.222SC..  trans-76.1128.3-178.8-169.3-6.6000111D38 K43 A44 R71 Q108D38-D41 HydrophobicContact CB-CB 4.5Å; D38-D41 WeakPolarHBondContact O-CB 3.46Å; D38-D41 PolarHBondContact O-N 3.36Å; D41-K43 PolarHBondContact O-N 3.45Å; D41-K43 PolarHBondContact OD1-N 3.31Å; D41-A44 HydrophobicContact CB-CB 4.06Å; D41-A44 WeakPolarHBondContact O-CB 3.5Å; D41-A44 PolarHBondContact O-N 3.25Å; D41-R71 PolarHBondContact O-NH2 2.91Å; D41-Q108 PolarHBondContact OD2-NE2 3.34Å
42T85.5Confident93.2Very high100 Ų10042 Ų4261%0.61322%0.221SC*.THydrogen-bonded Turntrans-61-29.2171.856.70000112.9E40E40-T42 PolarHBondContact O-N 3.47Å
43K89.9Confident93Very high65 Ų6549 Ų4928%0.28326%0.258SS..THydrogen-bonded Turntrans-92.81.9178.8-65.4-174.1175.3-172.50113.2D41 Q108 M112D41-K43 PolarHBondContact O-N 3.45Å; D41-K43 PolarHBondContact OD1-N 3.31Å; K43-Q108 PolarHBondContact O-NE2 2.99Å; K43-M112 HydrophobicContact CB-CB 3.82Å; K43-M112 HydrophobicContact CB-CE 4.45Å; K43-M112 HydrophobicContact CB-CG 4.15Å; K43-M112 HydrophobicContact CD-CB 3.97Å; K43-M112 HydrophobicContact CG-CB 3.84Å; K43-M112 WeakPolarHBondContact O-CG 3.23Å
44A93.7Very high92.8Very high0 Ų054.5 Ų54.50%028%0.277CS..  trans-69147.5175.500000111.4V36 D38 D41 F68 R71V36-A44 CarbonylContact O-C 3.53Å; V36-A44 WeakPolarHBondContact O-CA 3.31Å; V36-A44 VanDerWaalsContact O-CB 3.27Å; V36-A44 WeakPolarHBondContact O-CB 3.34Å; D38-A44 WeakPolarHBondContact O-CB 3.49Å; D41-A44 HydrophobicContact CB-CB 4.06Å; D41-A44 WeakPolarHBondContact O-CB 3.5Å; D41-A44 PolarHBondContact O-N 3.25Å; A44-F68 HydrophobicContact CB-CE1 3.94Å; A44-F68 HydrophobicContact CB-CZ 3.98Å; A44-F68 WeakPolarHBondContact O-CE1 3.32Å; A44-R71 PolarHBondContact O-NH2 3.43Å
45F94.9Very high92.7Very high0 Ų054.3 Ų54.30%028%0.277CS..EExtended strand (participates in β ladder)trans-147.8164.7173.661.7-90.5000110.8V36 L47 L64 N69 I72 I80 Q108 L111 M112V36-F45 HydrophobicContact CB-CD1 4.27Å; V36-F45 HydrophobicContact CB-CD2 4.22Å; V36-F45 HydrophobicContact CB-CE1 3.93Å; V36-F45 HydrophobicContact CB-CE2 3.87Å; V36-F45 HydrophobicContact CB-CG 4.4Å; V36-F45 HydrophobicContact CB-CZ 3.71Å; V36-F45 HydrophobicContact CG1-CD1 4.42Å; V36-F45 HydrophobicContact CG1-CE1 3.75Å; V36-F45 HydrophobicContact CG1-CE2 4.4Å; V36-F45 HydrophobicContact CG1-CZ 3.73Å; V36-F45 HydrophobicContact CG2-CD2 4.35Å; V36-F45 HydrophobicContact CG2-CE2 3.72Å; V36-F45 HydrophobicContact CG2-CZ 3.83Å; V36-F45 PolarHBondContact N-O 3Å; V36-F45 PolarHBondContact O-N 2.97Å; F45-L47 HydrophobicContact CD2-CD2 4.21Å; F45-L47 HydrophobicContact CD2-CG 4.18Å; F45-L47 HydrophobicContact CE2-CD1 4.21Å; F45-L47 HydrophobicContact CE2-CD2 3.85Å; F45-L47 HydrophobicContact CE2-CG 3.83Å; F45-L64 HydrophobicContact CD2-CD2 3.92Å; F45-N69 WeakPolarHBondContact CA-OD1 3.38Å; F45-N69 WeakPolarHBondContact CB-OD1 3.4Å; F45-I72 HydrophobicContact CB-CD1 3.45Å; F45-I72 VanDerWaalsContact CB-CD1 3.45Å; F45-I72 HydrophobicContact CG-CD1 4.5Å; F45-I80 HydrophobicContact CD1-CD1 4.43Å; F45-I80 HydrophobicContact CE1-CD1 4.46Å; F45-I80 HydrophobicContact CE2-CG2 4.2Å; F45-I80 HydrophobicContact CZ-CG2 4.43Å; F45-Q108 HydrophobicContact CE1-CG 4.25Å; F45-L111 HydrophobicContact CE1-CB 4.49Å; F45-L111 HydrophobicContact CE1-CD1 4.4Å; F45-L111 HydrophobicContact CZ-CD1 3.85Å; F45-M112 HydrophobicContact CD1-CG 3.94Å; F45-M112 HydrophobicContact CD1-SD 4.07Å; F45-M112 HydrophobicContact CE1-CG 4.07Å
46I96.3Very high92.6Very high21 Ų2152.5 Ų52.511%0.10827%0.27CS..EExtended strand (participates in β ladder)trans-115.2129.1179.6-67.2-179.5000109.5Q33 F34 R35 L64 A66 F68 N69Q33-I46 HydrophobicContact CG-CG2 3.26Å; F34-I46 CarbonylContact O-C 3.59Å; F34-I46 WeakPolarHBondContact O-CA 3.13Å; R35-I46 HydrophobicContact CB-CG1 4.21Å; R35-I46 HydrophobicContact CG-CG1 4.09Å; I46-L64 WeakPolarHBondContact O-CD2 3.42Å; I46-A66 HydrophobicContact CB-CB 3.96Å; I46-A66 HydrophobicContact CG2-CB 3.92Å; I46-F68 HydrophobicContact CD1-CB 3.6Å; I46-F68 HydrophobicContact CD1-CD1 4Å; I46-F68 HydrophobicContact CD1-CD2 4.41Å; I46-F68 HydrophobicContact CD1-CG 3.77Å; I46-F68 HydrophobicContact CG1-CB 4.14Å; I46-F68 HydrophobicContact CG1-CD1 3.74Å; I46-F68 HydrophobicContact CG1-CE1 4.36Å; I46-F68 HydrophobicContact CG1-CG 4.06Å; I46-N69 PolarHBondContact N-OD1 2.97Å; I46-N69 PolarHBondContact O-ND2 3.48Å
47L97.2Very high92.5Very high0 Ų058.4 Ų58.40%030%0.298CS..EExtended strand (participates in β ladder)trans-94.8124.9171.4-66.5172.4000109.5Q33 F34 V36 F45 I49 I62 L64 L84 A104Q33-L47 CarbonylContact C-O 3.58Å; Q33-L47 VanDerWaalsContact CA-O 3.28Å; Q33-L47 WeakPolarHBondContact CA-O 3.29Å; F34-L47 PolarHBondContact N-O 2.84Å; F34-L47 PolarHBondContact O-N 2.95Å; V36-L47 HydrophobicContact CG2-CD1 4.07Å; V36-L47 HydrophobicContact CG2-CG 4.48Å; F45-L47 HydrophobicContact CD2-CD2 4.21Å; F45-L47 HydrophobicContact CD2-CG 4.18Å; F45-L47 HydrophobicContact CE2-CD1 4.21Å; F45-L47 HydrophobicContact CE2-CD2 3.85Å; F45-L47 HydrophobicContact CE2-CG 3.83Å; L47-I49 HydrophobicContact CB-CD1 4.46Å; L47-I49 HydrophobicContact CB-CG1 4.33Å; L47-I62 HydrophobicContact CD2-CG2 4.2Å; L47-L64 HydrophobicContact CD2-CD2 3.61Å; L47-L64 HydrophobicContact CD2-CG 4.43Å; L47-L84 HydrophobicContact CD1-CD1 4.21Å; L47-L84 HydrophobicContact CD2-CD1 3.56Å; L47-A104 HydrophobicContact CD1-CB 3.78Å
48D97Very high92.7Very high34 Ų3459.3 Ų59.318%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-104.6119.2169-65.1-44.9000107.8Q33 S63 A66Q33-D48 WeakPolarHBondContact CG-OD1 3.32Å; Q33-D48 PolarHBondContact NE2-OD1 2.73Å; D48-S63 WeakPolarHBondContact CB-OG 3.36Å; D48-S63 PolarHBondContact N-O 3.17Å; D48-S63 PolarHBondContact O-N 3.48Å; D48-S63 PolarHBondContact O-OG 3.2Å; D48-A66 WeakPolarHBondContact OD2-CB 3.48Å; D48-A66 PolarHBondContact OD2-N 3.35Å
49I97.4Very high93Very high4 Ų456 Ų562%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-126.6137-174.6-51.9-174000110.2S31 F32 L47 P60 Q61 I62 M97 F101S31-I49 CarbonylContact C-O 3.54Å; S31-I49 VanDerWaalsContact CA-O 3.31Å; S31-I49 WeakPolarHBondContact CA-O 3.12Å; F32-I49 PolarHBondContact N-O 3.48Å; F32-I49 PolarHBondContact O-N 3.2Å; L47-I49 HydrophobicContact CB-CD1 4.46Å; L47-I49 HydrophobicContact CB-CG1 4.33Å; I49-P60 HydrophobicContact CG2-CB 3.76Å; I49-P60 HydrophobicContact CG2-CG 4.39Å; I49-Q61 CarbonylContact C-O 3.54Å; I49-Q61 VanDerWaalsContact CA-O 3.26Å; I49-Q61 WeakPolarHBondContact CA-O 3.14Å; I49-I62 HydrophobicContact CD1-CG1 4.32Å; I49-I62 HydrophobicContact CG1-CG1 4.2Å; I49-I62 HydrophobicContact CG1-CG2 4.29Å; I49-I62 HydrophobicContact CG2-CG1 4.24Å; I49-M97 HydrophobicContact CB-CE 3.87Å; I49-M97 HydrophobicContact CD1-CE 3.89Å; I49-M97 HydrophobicContact CG1-CE 4.44Å; I49-M97 HydrophobicContact CG2-CE 3.63Å; I49-M97 HydrophobicContact CG2-SD 3.8Å; I49-F101 HydrophobicContact CD1-CD1 4.25Å; I49-F101 HydrophobicContact CD1-CE1 3.52Å; I49-F101 HydrophobicContact CD1-CZ 4.29Å; I49-F101 HydrophobicContact CG1-CE1 4.4Å
50S96.8Very high93.6Very high30 Ų3051 Ų5121%0.2126%0.263CS..EExtended strand (participates in β ladder)trans-132.4141.5172.357.50000113.7V30 Q61V30-S50 CarbonylContact O-C 3.55Å; V30-S50 WeakPolarHBondContact O-CA 3.28Å; V30-S50 WeakPolarHBondContact O-CB 3.41Å; S50-Q61 PolarHBondContact N-O 2.79Å; S50-Q61 PolarHBondContact O-N 3.26Å; S50-Q61 PolarHBondContact OG-OE1 3.11Å
51W96.6Very high94.2Very high13 Ų1348.1 Ų48.15%0.04925%0.25CC..  trans-84.1125.4176.9-64.8-20.3000111.2Q7 E10 L11 L14 V30 F32 Y55 M97Q7-W51 HydrophobicContact CB-CE3 3.82Å; Q7-W51 HydrophobicContact CB-CZ3 3.69Å; Q7-W51 HydrophobicContact CG-CD2 4.22Å; Q7-W51 HydrophobicContact CG-CE3 3.63Å; Q7-W51 HydrophobicContact CG-CZ3 3.99Å; Q7-W51 WeakPolarHBondContact O-CH2 3.46Å; Q7-W51 VanDerWaalsContact O-CZ3 3.28Å; Q7-W51 WeakPolarHBondContact O-CZ3 3.48Å; E10-W51 HydrophobicContact CB-CH2 4.12Å; E10-W51 HydrophobicContact CB-CZ2 4.33Å; E10-W51 HydrophobicContact CG-CH2 4.25Å; E10-W51 HydrophobicContact CG-CZ2 4.03Å; L11-W51 HydrophobicContact CB-CH2 3.94Å; L11-W51 HydrophobicContact CB-CZ3 4.08Å; L14-W51 HydrophobicContact CD1-CH2 4.45Å; L14-W51 HydrophobicContact CD1-CZ2 4.09Å; V30-W51 HydrophobicContact CB-CB 4.18Å; V30-W51 HydrophobicContact CG1-CE3 4.43Å; V30-W51 PolarHBondContact O-N 3.25Å; F32-W51 AromaticContact CE2-CD2 3.7Å; F32-W51 HydrophobicContact CE2-CD2 3.7Å; F32-W51 AromaticContact CE2-CE2 3.5Å; F32-W51 VanDerWaalsContact CE2-CE2 3.5Å; F32-W51 HydrophobicContact CE2-CE3 4.03Å; F32-W51 HydrophobicContact CE2-CG 4.28Å; F32-W51 HydrophobicContact CE2-CH2 4.03Å; F32-W51 AromaticContact CE2-CZ2 3.7Å; F32-W51 HydrophobicContact CE2-CZ2 3.7Å; F32-W51 HydrophobicContact CE2-CZ3 4.17Å; F32-W51 AromaticContact CE2-NE1 3.9Å; F32-W51 HydrophobicContact CZ-CD2 4.29Å; F32-W51 HydrophobicContact CZ-CE3 4.17Å; F32-W51 AromaticContact CZ-CH2 3.81Å; F32-W51 HydrophobicContact CZ-CH2 3.81Å; F32-W51 AromaticContact CZ-CZ2 3.94Å; F32-W51 HydrophobicContact CZ-CZ2 3.94Å; F32-W51 AromaticContact CZ-CZ3 3.92Å; F32-W51 HydrophobicContact CZ-CZ3 3.92Å; W51-Y55 HydrophobicContact CB-CD1 4.19Å; W51-Y55 HydrophobicContact CB-CG 4.15Å; W51-Y55 AromaticContact CD1-CD1 3.67Å; W51-Y55 AromaticContact CD1-CD2 3.92Å; W51-Y55 AromaticContact CD1-CE1 3.73Å; W51-Y55 AromaticContact CD1-CE2 3.98Å; W51-Y55 AromaticContact CD1-CG 3.77Å; W51-Y55 AromaticContact CD1-CZ 3.9Å; W51-Y55 AromaticContact CD2-CD1 3.83Å; W51-Y55 HydrophobicContact CD2-CD1 3.83Å; W51-Y55 AromaticContact CD2-CE1 3.92Å; W51-Y55 HydrophobicContact CD2-CE1 3.92Å; W51-Y55 AromaticContact CE2-CD1 3.93Å; W51-Y55 AromaticContact CE2-CE1 3.51Å; W51-Y55 AromaticContact CG-CD1 3.66Å; W51-Y55 HydrophobicContact CG-CD1 3.66Å; W51-Y55 HydrophobicContact CG-CE1 4.04Å; W51-Y55 AromaticContact CG-CG 3.93Å; W51-Y55 HydrophobicContact CG-CG 3.93Å; W51-Y55 AromaticContact CZ2-CE1 3.98Å; W51-Y55 HydrophobicContact CZ2-CE1 3.98Å; W51-Y55 AromaticContact NE1-CD1 3.82Å; W51-Y55 AromaticContact NE1-CE1 3.39Å; W51-Y55 AromaticContact NE1-CE2 3.98Å; W51-Y55 AromaticContact NE1-CZ 3.49Å; W51-M97 HydrophobicContact CZ2-CG 3.64Å; W51-M97 VanDerWaalsContact NE1-CG 3.26Å; W51-M97 PolarHBondContact NE1-SD 3.17Å
52P95.1Very high94.7Very high34 Ų3447.3 Ų47.322%0.22125%0.245CC..  trans-72.8164.2163.231.5-38.2000111.7Q7 R54 Y55 T58 A59Q7-P52 PolarHBondContact NE2-O 3.23Å; P52-R54 PolarHBondContact O-N 3.42Å; P52-Y55 WeakPolarHBondContact O-CB 3.48Å; P52-Y55 PolarHBondContact O-N 3.34Å; P52-T58 WeakPolarHBondContact CG-OG1 3.27Å; P52-A59 WeakPolarHBondContact CG-O 3.35Å
53D92.6Very high95.2Very high151 Ų15144.5 Ų44.581%0.80723%0.23SC*.THydrogen-bonded Turntrans-53.9-27.4-179.1-56.6-19.8000114.7
54R93.1Very high95.4Very high155 Ų15541.5 Ų41.559%0.58522%0.217SC*.THydrogen-bonded Turntrans-102.69-178.8-64.4-165.9-59.7-83.7-1.1113.7P52 E57 T58P52-R54 PolarHBondContact O-N 3.42Å; R54-E57 CarbonylContact O-C 3.48Å; R54-E57 WeakPolarHBondContact O-CA 3.06Å; R54-E57 WeakPolarHBondContact O-CB 3.27Å; R54-E57 PolarHBondContact O-N 3.41Å; R54-T58 HydrophobicContact CB-CG2 3.7Å; R54-T58 WeakPolarHBondContact CB-OG1 3.14Å; R54-T58 PolarHBondContact O-N 3.04Å; R54-T58 PolarHBondContact O-OG1 2.9Å
55Y95.3Very high95.4Very high0 Ų047.6 Ų47.60%025%0.249CC..THydrogen-bonded Turntrans-65.7139.9172.2173.8-85.2000110.1Q7 E10 W51 P52 T58 P60 M96Q7-Y55 HydrophobicContact CG-CD1 3.8Å; Q7-Y55 HydrophobicContact CG-CE1 4.49Å; Q7-Y55 PolarHBondContact NE2-O 3.4Å; E10-Y55 VanDerWaalsContact CD-OH 3.25Å; E10-Y55 PolarHBondContact OE1-OH 2.95Å; E10-Y55 WeakPolarHBondContact OE2-CE1 3.37Å; E10-Y55 VanDerWaalsContact OE2-CZ 3.25Å; E10-Y55 PolarHBondContact OE2-OH 3.33Å; W51-Y55 HydrophobicContact CB-CD1 4.19Å; W51-Y55 HydrophobicContact CB-CG 4.15Å; W51-Y55 AromaticContact CD1-CD1 3.67Å; W51-Y55 AromaticContact CD1-CD2 3.92Å; W51-Y55 AromaticContact CD1-CE1 3.73Å; W51-Y55 AromaticContact CD1-CE2 3.98Å; W51-Y55 AromaticContact CD1-CG 3.77Å; W51-Y55 AromaticContact CD1-CZ 3.9Å; W51-Y55 AromaticContact CD2-CD1 3.83Å; W51-Y55 HydrophobicContact CD2-CD1 3.83Å; W51-Y55 AromaticContact CD2-CE1 3.92Å; W51-Y55 HydrophobicContact CD2-CE1 3.92Å; W51-Y55 AromaticContact CE2-CD1 3.93Å; W51-Y55 AromaticContact CE2-CE1 3.51Å; W51-Y55 AromaticContact CG-CD1 3.66Å; W51-Y55 HydrophobicContact CG-CD1 3.66Å; W51-Y55 HydrophobicContact CG-CE1 4.04Å; W51-Y55 AromaticContact CG-CG 3.93Å; W51-Y55 HydrophobicContact CG-CG 3.93Å; W51-Y55 AromaticContact CZ2-CE1 3.98Å; W51-Y55 HydrophobicContact CZ2-CE1 3.98Å; W51-Y55 AromaticContact NE1-CD1 3.82Å; W51-Y55 AromaticContact NE1-CE1 3.39Å; W51-Y55 AromaticContact NE1-CE2 3.98Å; W51-Y55 AromaticContact NE1-CZ 3.49Å; P52-Y55 WeakPolarHBondContact O-CB 3.48Å; P52-Y55 PolarHBondContact O-N 3.34Å; Y55-T58 WeakPolarHBondContact CD2-O 3.38Å; Y55-T58 PolarHBondContact N-OG1 3.08Å; Y55-P60 HydrophobicContact CD2-CB 4.04Å; Y55-P60 HydrophobicContact CD2-CG 4.34Å; Y55-P60 HydrophobicContact CE2-CB 4.11Å; Y55-P60 HydrophobicContact CE2-CG 4.09Å; Y55-M96 HydrophobicContact CE2-CE 3.91Å; Y55-M96 HydrophobicContact CE2-CG 3.85Å; Y55-M96 HydrophobicContact CE2-SD 4.11Å; Y55-M96 WeakPolarHBondContact OH-CG 3.34Å; Y55-M96 PolarHBondContact OH-N 3.07Å; Y55-M96 VanDerWaalsContact OH-N 3.13Å
56P94.8Very high95.2Very high4 Ų448.1 Ų48.13%0.02625%0.254CS..THydrogen-bonded Turncis-88.62.77.534.3-35.9000116.1D6 T58 G93 S94 M96D6-P56 HydrophobicContact CB-CG 4.37Å; P56-T58 PolarHBondContact O-N 3Å; P56-G93 PolarHBondContact O-N 3.03Å; P56-S94 WeakPolarHBondContact CB-O 3.22Å; P56-M96 HydrophobicContact CB-CE 4.38Å
57E93.2Very high94.9Very high125 Ų12555.7 Ų55.758%0.58429%0.286SS*.THydrogen-bonded Turntrans-63.2-30.3175.6-49.3176160.800111.7R54R54-E57 CarbonylContact O-C 3.48Å; R54-E57 WeakPolarHBondContact O-CA 3.06Å; R54-E57 WeakPolarHBondContact O-CB 3.27Å; R54-E57 PolarHBondContact O-N 3.41Å
58T94.3Very high94.6Very high35 Ų3558 Ų5822%0.21530%0.296CS..SBendtrans-112.5144.8172.757.10000111.8P52 R54 Y55 P56P52-T58 WeakPolarHBondContact CG-OG1 3.27Å; R54-T58 HydrophobicContact CB-CG2 3.7Å; R54-T58 WeakPolarHBondContact CB-OG1 3.14Å; R54-T58 PolarHBondContact O-N 3.04Å; R54-T58 PolarHBondContact O-OG1 2.9Å; Y55-T58 WeakPolarHBondContact CD2-O 3.38Å; Y55-T58 PolarHBondContact N-OG1 3.08Å; P56-T58 PolarHBondContact O-N 3Å
59A96.1Very high94.4Very high47 Ų4756.4 Ų56.439%0.38829%0.288SS..PPolyproline II helixtrans-50.9137.6176.900000113P52 V88 L92P52-A59 WeakPolarHBondContact CG-O 3.35Å; A59-V88 HydrophobicContact CB-CG1 3.47Å; A59-V88 VanDerWaalsContact CB-CG1 3.47Å; A59-L92 HydrophobicContact CB-CD2 4.29Å
60P96.6Very high94Very high10 Ų1059.9 Ų59.97%0.06531%0.306CS..PPolyproline II helixtrans-67.2153.1168.831.9-34.6000110.3I49 Y55 I62 V88 M96 L100I49-P60 HydrophobicContact CG2-CB 3.76Å; I49-P60 HydrophobicContact CG2-CG 4.39Å; Y55-P60 HydrophobicContact CD2-CB 4.04Å; Y55-P60 HydrophobicContact CD2-CG 4.34Å; Y55-P60 HydrophobicContact CE2-CB 4.11Å; Y55-P60 HydrophobicContact CE2-CG 4.09Å; P60-I62 HydrophobicContact CG-CG1 4.48Å; P60-V88 HydrophobicContact CG-CG2 4.22Å; P60-M96 HydrophobicContact CG-SD 4.1Å; P60-L100 HydrophobicContact CG-CD1 4.15Å
61Q96.4Very high93.5Very high131 Ų13161.9 Ų61.961%0.61231%0.309SS*.EExtended strand (participates in β ladder)trans-84.3116.9173.7-66-179.6-3300108.9I49 S50I49-Q61 CarbonylContact C-O 3.54Å; I49-Q61 VanDerWaalsContact CA-O 3.26Å; I49-Q61 WeakPolarHBondContact CA-O 3.14Å; S50-Q61 PolarHBondContact N-O 2.79Å; S50-Q61 PolarHBondContact O-N 3.26Å; S50-Q61 PolarHBondContact OG-OE1 3.11Å
62I96.4Very high93.2Very high34 Ų3461.6 Ų61.617%0.17431%0.309CS..EExtended strand (participates in β ladder)trans-109.6132.6180-54.2175.4000108.9L47 I49 P60 L81 L84 V88 L100L47-I62 HydrophobicContact CD2-CG2 4.2Å; I49-I62 HydrophobicContact CD1-CG1 4.32Å; I49-I62 HydrophobicContact CG1-CG1 4.2Å; I49-I62 HydrophobicContact CG1-CG2 4.29Å; I49-I62 HydrophobicContact CG2-CG1 4.24Å; P60-I62 HydrophobicContact CG-CG1 4.48Å; I62-L81 HydrophobicContact CB-CD2 4.18Å; I62-L81 HydrophobicContact CG2-CD2 3.76Å; I62-L84 HydrophobicContact CD1-CB 4.1Å; I62-L84 HydrophobicContact CG2-CD1 4.12Å; I62-V88 HydrophobicContact CD1-CG2 3.83Å; I62-L100 HydrophobicContact CD1-CD1 4.27Å
63S95.4Very high92.9Very high42 Ų4261.4 Ų61.429%0.29431%0.308SS..EExtended strand (participates in β ladder)trans-137.8154.5178.466.80000111.9D48D48-S63 WeakPolarHBondContact CB-OG 3.36Å; D48-S63 PolarHBondContact N-O 3.17Å; D48-S63 PolarHBondContact O-N 3.48Å; D48-S63 PolarHBondContact O-OG 3.2Å
64L95.1Very high92.9Very high2 Ų257.8 Ų57.81%0.0130%0.299CS..  trans-120.930.7179.9-72.7170.7000110.9F45 I46 L47 N69 K77 I80 L81F45-L64 HydrophobicContact CD2-CD2 3.92Å; I46-L64 WeakPolarHBondContact O-CD2 3.42Å; L47-L64 HydrophobicContact CD2-CD2 3.61Å; L47-L64 HydrophobicContact CD2-CG 4.43Å; L64-N69 WeakPolarHBondContact CA-ND2 3.45Å; L64-N69 VanDerWaalsContact O-CB 3.29Å; L64-N69 WeakPolarHBondContact O-CB 3.48Å; L64-N69 PolarHBondContact O-ND2 3.29Å; L64-N69 VanDerWaalsContact O-ND2 3.09Å; L64-K77 HydrophobicContact CB-CB 4.42Å; L64-K77 HydrophobicContact CB-CD 4.02Å; L64-K77 HydrophobicContact CB-CG 4.15Å; L64-K77 HydrophobicContact CD1-CB 3.84Å; L64-K77 HydrophobicContact CD1-CG 4.08Å; L64-K77 WeakPolarHBondContact CD1-O 3.26Å; L64-K77 PolarHBondContact O-NZ 3.42Å; L64-I80 HydrophobicContact CD1-CB 3.8Å; L64-I80 HydrophobicContact CD1-CD1 4.2Å; L64-I80 HydrophobicContact CD1-CG2 3.81Å; L64-L81 HydrophobicContact CD1-CD2 4.26Å; L64-L81 HydrophobicContact CD1-CG 4Å; L64-L81 HydrophobicContact CG-CD2 4.28Å; L64-L81 HydrophobicContact CG-CG 4.49Å
65D92.1Very high92.8Very high127 Ų12758.3 Ų58.368%0.67931%0.308SS*.  trans-90.4-3.4-171.5-67.7-26.8000113.8F67D65-F67 PolarHBondContact O-N 3.46Å
66A92Very high92.6Very high12 Ų1258.6 Ų58.610%0.09931%0.31CS..SBendtrans-45.9135.8167.900000111.6I46 D48 F68 N69I46-A66 HydrophobicContact CB-CB 3.96Å; I46-A66 HydrophobicContact CG2-CB 3.92Å; D48-A66 WeakPolarHBondContact OD2-CB 3.48Å; D48-A66 PolarHBondContact OD2-N 3.35Å; A66-F68 PolarHBondContact O-N 2.81Å; A66-N69 WeakPolarHBondContact O-CB 3.35Å; A66-N69 PolarHBondContact O-N 2.85Å
67F90.2Very high92.6Very high179 Ų17959.7 Ų59.779%0.78531%0.314SS*.G310 helixtrans-53.5-32.6179.5179.4-94.1000112.8D65 N69 N70D65-F67 PolarHBondContact O-N 3.46Å; F67-N69 PolarHBondContact O-N 2.72Å; F67-N70 WeakPolarHBondContact CD2-ND2 3.28Å; F67-N70 WeakPolarHBondContact CE2-ND2 3.46Å; F67-N70 VanDerWaalsContact O-CB 3.28Å; F67-N70 WeakPolarHBondContact O-CB 3.29Å; F67-N70 VanDerWaalsContact O-CG 3.26Å; F67-N70 PolarHBondContact O-N 3.43Å; F67-N70 VanDerWaalsContact O-N 3.13Å; F67-N70 PolarHBondContact O-ND2 3.25Å
68F89.6Confident92.6Very high50 Ų5059.8 Ų59.822%0.21932%0.315CS..G310 helixtrans-55.9-34175.3-172.4-98.1000112.9L39 A44 I46 A66 N70 R71L39-F68 HydrophobicContact CD1-CE2 4.29Å; A44-F68 HydrophobicContact CB-CE1 3.94Å; A44-F68 HydrophobicContact CB-CZ 3.98Å; A44-F68 WeakPolarHBondContact O-CE1 3.32Å; I46-F68 HydrophobicContact CD1-CB 3.6Å; I46-F68 HydrophobicContact CD1-CD1 4Å; I46-F68 HydrophobicContact CD1-CD2 4.41Å; I46-F68 HydrophobicContact CD1-CG 3.77Å; I46-F68 HydrophobicContact CG1-CB 4.14Å; I46-F68 HydrophobicContact CG1-CD1 3.74Å; I46-F68 HydrophobicContact CG1-CE1 4.36Å; I46-F68 HydrophobicContact CG1-CG 4.06Å; A66-F68 PolarHBondContact O-N 2.81Å; F68-N70 VanDerWaalsContact C-N 3.29Å; F68-N70 PolarHBondContact O-N 3.15Å; F68-R71 VanDerWaalsContact CE1-NH2 3.34Å
69N92.6Very high92.6Very high0 Ų061.2 Ų61.20%032%0.321CS..G310 helixtrans-84.12.9-177.9-60.3-18.6000113.4F45 I46 L64 A66 F67 R71 I72 K77F45-N69 WeakPolarHBondContact CA-OD1 3.38Å; F45-N69 WeakPolarHBondContact CB-OD1 3.4Å; I46-N69 PolarHBondContact N-OD1 2.97Å; I46-N69 PolarHBondContact O-ND2 3.48Å; L64-N69 WeakPolarHBondContact CA-ND2 3.45Å; L64-N69 VanDerWaalsContact O-CB 3.29Å; L64-N69 WeakPolarHBondContact O-CB 3.48Å; L64-N69 PolarHBondContact O-ND2 3.29Å; L64-N69 VanDerWaalsContact O-ND2 3.09Å; A66-N69 WeakPolarHBondContact O-CB 3.35Å; A66-N69 PolarHBondContact O-N 2.85Å; F67-N69 PolarHBondContact O-N 2.72Å; N69-R71 PolarHBondContact O-N 3.42Å; N69-R71 VanDerWaalsContact O-N 3.13Å; N69-I72 HydrophobicContact CB-CD1 3.99Å; N69-I72 HydrophobicContact CB-CG1 4.47Å; N69-I72 VanDerWaalsContact O-CB 3.32Å; N69-I72 WeakPolarHBondContact O-CB 3.49Å; N69-I72 PolarHBondContact O-N 2.86Å; N69-K77 WeakPolarHBondContact O-CE 3.22Å; N69-K77 PolarHBondContact O-NZ 3.34Å
70N89.7Confident92.6Very high76 Ų7659 Ų5941%0.40630%0.302SS..G310 helixtrans-62.9-18.8179.1-76-18.5000113.7F67 F68 I72F67-N70 WeakPolarHBondContact CD2-ND2 3.28Å; F67-N70 WeakPolarHBondContact CE2-ND2 3.46Å; F67-N70 VanDerWaalsContact O-CB 3.28Å; F67-N70 WeakPolarHBondContact O-CB 3.29Å; F67-N70 VanDerWaalsContact O-CG 3.26Å; F67-N70 PolarHBondContact O-N 3.43Å; F67-N70 VanDerWaalsContact O-N 3.13Å; F67-N70 PolarHBondContact O-ND2 3.25Å; F68-N70 VanDerWaalsContact C-N 3.29Å; F68-N70 PolarHBondContact O-N 3.15Å; N70-I72 VanDerWaalsContact C-N 3.26Å
71R86.3Confident92.5Very high72 Ų7260.5 Ų60.527%0.27231%0.31SS..G310 helixtrans-77.9-9.3173.467.8-168.7-176-178.19.9113.9D41 A44 F68 N69 H115 V118D41-R71 PolarHBondContact O-NH2 2.91Å; A44-R71 PolarHBondContact O-NH2 3.43Å; F68-R71 VanDerWaalsContact CE1-NH2 3.34Å; N69-R71 PolarHBondContact O-N 3.42Å; N69-R71 VanDerWaalsContact O-N 3.13Å; R71-H115 PolarHBondContact O-NE2 2.58Å; R71-V118 PolarHBondContact O-N 3.13Å
72I89.9Confident92.5Very high7 Ų756.9 Ų56.94%0.03630%0.299CS..SBendtrans-97.9129-176.2-51.3178.8000107.9F45 N69 N70 T76 K77 M112F45-I72 HydrophobicContact CB-CD1 3.45Å; F45-I72 VanDerWaalsContact CB-CD1 3.45Å; F45-I72 HydrophobicContact CG-CD1 4.5Å; N69-I72 HydrophobicContact CB-CD1 3.99Å; N69-I72 HydrophobicContact CB-CG1 4.47Å; N69-I72 VanDerWaalsContact O-CB 3.32Å; N69-I72 WeakPolarHBondContact O-CB 3.49Å; N69-I72 PolarHBondContact O-N 2.86Å; N70-I72 VanDerWaalsContact C-N 3.26Å; I72-T76 HydrophobicContact CG2-CG2 3.7Å; I72-K77 HydrophobicContact CB-CG 4.2Å; I72-K77 HydrophobicContact CG2-CG 3.81Å; I72-M112 HydrophobicContact CD1-CE 4.01Å; I72-M112 HydrophobicContact CD1-SD 4.26Å; I72-M112 HydrophobicContact CG1-CE 4.1Å; I72-M112 HydrophobicContact CG2-SD 4.41Å
73S90.1Very high92.5Very high30 Ų3057.9 Ų57.921%0.2130%0.302CS..  trans-64.1152.8178.3680000110.8E75 T76 K77S73-E75 PolarHBondContact O-N 3.12Å; S73-T76 PolarHBondContact O-N 2.88Å; S73-T76 PolarHBondContact OG-N 3.17Å; S73-T76 PolarHBondContact OG-OG1 3.35Å; S73-K77 WeakPolarHBondContact O-CG 3.5Å; S73-K77 PolarHBondContact O-N 3.11Å
74A90.8Very high92.5Very high75 Ų7556 Ų5662%0.6229%0.288SS*.Hα-helixtrans-57.4-38.3176.300000111.7T76 K77 Q78A74-T76 PolarHBondContact O-N 2.88Å; A74-K77 PolarHBondContact O-N 2.92Å; A74-Q78 VanDerWaalsContact O-CG 3.27Å; A74-Q78 WeakPolarHBondContact O-CG 3.48Å; A74-Q78 PolarHBondContact O-N 3.43Å
75E91.3Very high92.6Very high166 Ų16662.2 Ų62.278%0.77632%0.318SS*.Hα-helixtrans-59.9-46.5177-64.9175.7-177.100112S73 Q78 L79S73-E75 PolarHBondContact O-N 3.12Å; E75-Q78 PolarHBondContact O-N 2.97Å; E75-L79 PolarHBondContact O-N 3.3Å
76T92.1Very high92.8Very high6 Ų661.3 Ų61.34%0.03731%0.309CS..Hα-helixtrans-66.1-40.4176.6-57.10000111.3I72 S73 A74 Q78 L79 I80 M112I72-T76 HydrophobicContact CG2-CG2 3.7Å; S73-T76 PolarHBondContact O-N 2.88Å; S73-T76 PolarHBondContact OG-N 3.17Å; S73-T76 PolarHBondContact OG-OG1 3.35Å; A74-T76 PolarHBondContact O-N 2.88Å; T76-Q78 VanDerWaalsContact C-N 3.33Å; T76-Q78 PolarHBondContact O-N 2.95Å; T76-L79 WeakPolarHBondContact O-CB 3.18Å; T76-L79 PolarHBondContact O-N 3.32Å; T76-I80 HydrophobicContact CG2-CD1 4.07Å; T76-I80 VanDerWaalsContact O-CG1 3.29Å; T76-I80 WeakPolarHBondContact O-CG1 3.39Å; T76-I80 PolarHBondContact O-N 3.28Å; T76-M112 HydrophobicContact CG2-SD 3.82Å
77K93.8Very high93Very high28 Ų2863 Ų6312%0.12232%0.315CS..Hα-helixtrans-59.6-44175-67.8-173.1-175.8-161.20111.9L64 N69 I72 S73 A74 L79 I80 L81L64-K77 HydrophobicContact CB-CB 4.42Å; L64-K77 HydrophobicContact CB-CD 4.02Å; L64-K77 HydrophobicContact CB-CG 4.15Å; L64-K77 HydrophobicContact CD1-CB 3.84Å; L64-K77 HydrophobicContact CD1-CG 4.08Å; L64-K77 WeakPolarHBondContact CD1-O 3.26Å; L64-K77 PolarHBondContact O-NZ 3.42Å; N69-K77 WeakPolarHBondContact O-CE 3.22Å; N69-K77 PolarHBondContact O-NZ 3.34Å; I72-K77 HydrophobicContact CB-CG 4.2Å; I72-K77 HydrophobicContact CG2-CG 3.81Å; S73-K77 WeakPolarHBondContact O-CG 3.5Å; S73-K77 PolarHBondContact O-N 3.11Å; A74-K77 PolarHBondContact O-N 2.92Å; K77-L79 VanDerWaalsContact C-N 3.35Å; K77-I80 PolarHBondContact O-N 3.47Å; K77-L81 WeakPolarHBondContact O-CG 3.37Å; K77-L81 PolarHBondContact O-N 3.2Å
78Q94.3Very high93.3Very high127 Ų12754.8 Ų54.859%0.59328%0.279SS*.Hα-helixtrans-64.3-39177.6-69.7-62-40.700112A74 E75 T76 L81 S82A74-Q78 VanDerWaalsContact O-CG 3.27Å; A74-Q78 WeakPolarHBondContact O-CG 3.48Å; A74-Q78 PolarHBondContact O-N 3.43Å; E75-Q78 PolarHBondContact O-N 2.97Å; T76-Q78 VanDerWaalsContact C-N 3.33Å; T76-Q78 PolarHBondContact O-N 2.95Å; Q78-L81 PolarHBondContact O-N 3.33Å; Q78-S82 VanDerWaalsContact O-CB 3.32Å; Q78-S82 WeakPolarHBondContact O-CB 3.33Å; Q78-S82 PolarHBondContact O-N 3.28Å
79L94.3Very high93.6Very high64 Ų6458.9 Ų58.934%0.33530%0.299SS..Hα-helixtrans-60.1-47.3173.7178.165.6000111.6E75 T76 K77 S82 K83E75-L79 PolarHBondContact O-N 3.3Å; T76-L79 WeakPolarHBondContact O-CB 3.18Å; T76-L79 PolarHBondContact O-N 3.32Å; K77-L79 VanDerWaalsContact C-N 3.35Å; L79-S82 PolarHBondContact O-N 2.85Å; L79-K83 HydrophobicContact CD1-CG 4.37Å; L79-K83 WeakPolarHBondContact O-CG 3.38Å; L79-K83 PolarHBondContact O-N 3.13Å
80I95.3Very high93.7Very high0 Ų062.6 Ų62.60%033%0.33CS..Hα-helixtrans-60.2-48.7178.8-65.1166.5000110.6F45 L64 T76 K77 S82 K83 L84 L111 M112F45-I80 HydrophobicContact CD1-CD1 4.43Å; F45-I80 HydrophobicContact CE1-CD1 4.46Å; F45-I80 HydrophobicContact CE2-CG2 4.2Å; F45-I80 HydrophobicContact CZ-CG2 4.43Å; L64-I80 HydrophobicContact CD1-CB 3.8Å; L64-I80 HydrophobicContact CD1-CD1 4.2Å; L64-I80 HydrophobicContact CD1-CG2 3.81Å; T76-I80 HydrophobicContact CG2-CD1 4.07Å; T76-I80 VanDerWaalsContact O-CG1 3.29Å; T76-I80 WeakPolarHBondContact O-CG1 3.39Å; T76-I80 PolarHBondContact O-N 3.28Å; K77-I80 PolarHBondContact O-N 3.47Å; I80-S82 PolarHBondContact O-N 3.43Å; I80-K83 PolarHBondContact O-N 3.13Å; I80-L84 HydrophobicContact CG2-CD1 3.83Å; I80-L84 WeakPolarHBondContact O-CG 3.47Å; I80-L84 PolarHBondContact O-N 3.43Å; I80-L111 HydrophobicContact CB-CD2 4.45Å; I80-L111 HydrophobicContact CG1-CB 4.06Å; I80-L111 HydrophobicContact CG1-CD2 4.16Å; I80-L111 HydrophobicContact CG2-CD2 4.5Å; I80-M112 HydrophobicContact CD1-SD 3.95Å
81L95.9Very high94Very high42 Ų4260.8 Ų60.822%0.2232%0.32CS..Hα-helixtrans-60.7-44.9178.4-69.9174.7000111.8I62 L64 K77 Q78 K83 L84 E85I62-L81 HydrophobicContact CB-CD2 4.18Å; I62-L81 HydrophobicContact CG2-CD2 3.76Å; L64-L81 HydrophobicContact CD1-CD2 4.26Å; L64-L81 HydrophobicContact CD1-CG 4Å; L64-L81 HydrophobicContact CG-CD2 4.28Å; L64-L81 HydrophobicContact CG-CG 4.49Å; K77-L81 WeakPolarHBondContact O-CG 3.37Å; K77-L81 PolarHBondContact O-N 3.2Å; Q78-L81 PolarHBondContact O-N 3.33Å; L81-K83 VanDerWaalsContact C-N 3.31Å; L81-K83 PolarHBondContact O-N 3.38Å; L81-L84 PolarHBondContact O-N 2.83Å; L81-E85 WeakPolarHBondContact O-CB 3.26Å; L81-E85 PolarHBondContact O-N 3.21Å
82S96.1Very high94.4Very high55 Ų5560.3 Ų60.339%0.38532%0.323SS..Hα-helixtrans-63.2-35.5179.3179.50000113Q78 L79 I80 Q86Q78-S82 VanDerWaalsContact O-CB 3.32Å; Q78-S82 WeakPolarHBondContact O-CB 3.33Å; Q78-S82 PolarHBondContact O-N 3.28Å; L79-S82 PolarHBondContact O-N 2.85Å; I80-S82 PolarHBondContact O-N 3.43Å; S82-Q86 WeakPolarHBondContact O-CG 3.49Å; S82-Q86 PolarHBondContact O-N 3.09Å; S82-Q86 PolarHBondContact O-NE2 2.96Å
83K95.8Very high94.6Very high56 Ų5662.5 Ų62.524%0.24335%0.347CS..Hα-helixtrans-73.8-40.5176.1-71.4-80.4-173.6144.50112L79 I80 L81 E85 Q86 Q87 W103 E110 L111L79-K83 HydrophobicContact CD1-CG 4.37Å; L79-K83 WeakPolarHBondContact O-CG 3.38Å; L79-K83 PolarHBondContact O-N 3.13Å; I80-K83 PolarHBondContact O-N 3.13Å; L81-K83 VanDerWaalsContact C-N 3.31Å; L81-K83 PolarHBondContact O-N 3.38Å; K83-E85 VanDerWaalsContact C-N 3.33Å; K83-Q86 WeakPolarHBondContact O-CB 3.43Å; K83-Q86 PolarHBondContact O-N 2.87Å; K83-Q87 PolarHBondContact O-N 3.28Å; K83-W103 HydrophobicContact CB-CH2 3.72Å; K83-W103 HydrophobicContact CB-CZ3 4.26Å; K83-E110 IonicContact NZ-OE1 2.77Å; K83-E110 PolarHBondContact NZ-OE1 3.09Å; K83-L111 HydrophobicContact CB-CD2 3.99Å; K83-L111 HydrophobicContact CG-CD2 4.24Å
84L96.1Very high94.7Very high1 Ų163.7 Ų63.71%0.00536%0.356CS..Hα-helixtrans-65.1-37.8174-76.3169.3000111.9L47 I62 I80 L81 Q86 Q87 V88 L100 W103 A104L47-L84 HydrophobicContact CD1-CD1 4.21Å; L47-L84 HydrophobicContact CD2-CD1 3.56Å; I62-L84 HydrophobicContact CD1-CB 4.1Å; I62-L84 HydrophobicContact CG2-CD1 4.12Å; I80-L84 HydrophobicContact CG2-CD1 3.83Å; I80-L84 WeakPolarHBondContact O-CG 3.47Å; I80-L84 PolarHBondContact O-N 3.43Å; L81-L84 PolarHBondContact O-N 2.83Å; L84-Q86 VanDerWaalsContact C-N 3.26Å; L84-Q86 PolarHBondContact O-N 3Å; L84-Q87 CarbonylContact O-C 3.59Å; L84-Q87 WeakPolarHBondContact O-CA 3.16Å; L84-Q87 WeakPolarHBondContact O-CB 3.38Å; L84-Q87 PolarHBondContact O-N 2.86Å; L84-V88 WeakPolarHBondContact O-CG2 3.44Å; L84-V88 PolarHBondContact O-N 3.37Å; L84-L100 HydrophobicContact CD2-CD2 4.24Å; L84-W103 HydrophobicContact CD2-CE3 3.8Å; L84-W103 HydrophobicContact CD2-CZ3 3.96Å; L84-W103 HydrophobicContact CG-CZ3 4.29Å; L84-A104 HydrophobicContact CD2-CB 4.29Å
85E95.8Very high94.9Very high134 Ų13462.9 Ų62.963%0.62635%0.349SS*.Hα-helixtrans-60.4-35.7176.1-172.4171.7-153.900112L81 K83 Q87 V88 E89L81-E85 WeakPolarHBondContact O-CB 3.26Å; L81-E85 PolarHBondContact O-N 3.21Å; K83-E85 VanDerWaalsContact C-N 3.33Å; E85-Q87 VanDerWaalsContact C-N 3.33Å; E85-Q87 PolarHBondContact O-N 2.78Å; E85-V88 WeakPolarHBondContact O-CB 3.17Å; E85-V88 PolarHBondContact O-N 3.27Å; E85-E89 PolarHBondContact O-N 2.95Å
86Q96.2Very high95.1Very high108 Ų10855 Ų5551%0.50531%0.312SS..Hα-helixtrans-64-38.1172.4-67.816649.300112.2S82 K83 L84 A90S82-Q86 WeakPolarHBondContact O-CG 3.49Å; S82-Q86 PolarHBondContact O-N 3.09Å; S82-Q86 PolarHBondContact O-NE2 2.96Å; K83-Q86 WeakPolarHBondContact O-CB 3.43Å; K83-Q86 PolarHBondContact O-N 2.87Å; L84-Q86 VanDerWaalsContact C-N 3.26Å; L84-Q86 PolarHBondContact O-N 3Å; Q86-A90 PolarHBondContact O-N 3.39Å
87Q96.4Very high95.3Very high47 Ų4754.7 Ų54.722%0.2231%0.31CS..Hα-helixtrans-70-37.1175.3-60.4-53-4300111.6K83 L84 E85 A90 N91 L100 W103K83-Q87 PolarHBondContact O-N 3.28Å; L84-Q87 CarbonylContact O-C 3.59Å; L84-Q87 WeakPolarHBondContact O-CA 3.16Å; L84-Q87 WeakPolarHBondContact O-CB 3.38Å; L84-Q87 PolarHBondContact O-N 2.86Å; E85-Q87 VanDerWaalsContact C-N 3.33Å; E85-Q87 PolarHBondContact O-N 2.78Å; Q87-A90 PolarHBondContact O-N 2.98Å; Q87-N91 PolarHBondContact O-N 2.73Å; Q87-N91 PolarHBondContact O-ND2 3.24Å; Q87-L100 HydrophobicContact CB-CD2 3.63Å; Q87-W103 HydrophobicContact CG-CD2 3.58Å; Q87-W103 HydrophobicContact CG-CE3 3.9Å; Q87-W103 HydrophobicContact CG-CG 3.93Å; Q87-W103 HydrophobicContact CG-CZ2 4.3Å; Q87-W103 HydrophobicContact CG-CZ3 4.4Å
88V96.8Very high95.5Very high6 Ų658.6 Ų58.64%0.03633%0.325CS..Hα-helixtrans-60.1-52.3174.6168.90000110.3A59 P60 I62 L84 E85 A90 N91 L92 M96 L100A59-V88 HydrophobicContact CB-CG1 3.47Å; A59-V88 VanDerWaalsContact CB-CG1 3.47Å; P60-V88 HydrophobicContact CG-CG2 4.22Å; I62-V88 HydrophobicContact CD1-CG2 3.83Å; L84-V88 WeakPolarHBondContact O-CG2 3.44Å; L84-V88 PolarHBondContact O-N 3.37Å; E85-V88 WeakPolarHBondContact O-CB 3.17Å; E85-V88 PolarHBondContact O-N 3.27Å; V88-A90 VanDerWaalsContact C-N 3.25Å; V88-A90 PolarHBondContact O-N 2.99Å; V88-N91 CarbonylContact O-C 3.59Å; V88-N91 PolarHBondContact O-N 3.17Å; V88-L92 HydrophobicContact CG1-CD2 4.22Å; V88-L92 WeakPolarHBondContact O-CG 3.5Å; V88-L92 PolarHBondContact O-N 3.34Å; V88-M96 HydrophobicContact CB-SD 4.3Å; V88-M96 HydrophobicContact CG1-SD 4.02Å; V88-M96 HydrophobicContact CG2-SD 4.21Å; V88-L100 HydrophobicContact CG2-CD1 3.99Å; V88-L100 HydrophobicContact CG2-CD2 3.91Å
89E95.7Very high95.6Very high136 Ų13655.1 Ų55.164%0.63631%0.312SS*.Hα-helixtrans-58.6-38.8-178.8-171.362.9-152.500111.9E85 N91 L92E85-E89 PolarHBondContact O-N 2.95Å; E89-N91 VanDerWaalsContact C-N 3.26Å; E89-N91 PolarHBondContact O-N 3.42Å; E89-L92 WeakPolarHBondContact OE2-CD1 3.31Å
90A95.4Very high95.7Very high78 Ų7852 Ų5265%0.64530%0.296SS*.Hα-helixtrans-67.9-22.5178.200000114Q86 Q87 V88Q86-A90 PolarHBondContact O-N 3.39Å; Q87-A90 PolarHBondContact O-N 2.98Å; V88-A90 VanDerWaalsContact C-N 3.25Å; V88-A90 PolarHBondContact O-N 2.99Å
91N95.2Very high95.8Very high38 Ų3852 Ų5220%0.20330%0.296CS..Hα-helixtrans-114.96.9-175-66.7-83.8000113.6Q87 V88 E89 S94 M96Q87-N91 PolarHBondContact O-N 2.73Å; Q87-N91 PolarHBondContact O-ND2 3.24Å; V88-N91 CarbonylContact O-C 3.59Å; V88-N91 PolarHBondContact O-N 3.17Å; E89-N91 VanDerWaalsContact C-N 3.26Å; E89-N91 PolarHBondContact O-N 3.42Å; N91-S94 PolarHBondContact O-N 2.91Å; N91-S94 PolarHBondContact O-OG 2.82Å; N91-M96 HydrophobicContact CB-CB 3.66Å; N91-M96 WeakPolarHBondContact O-CE 3.36Å
92L95.6Very high95.8Very high62 Ų6251.8 Ų51.833%0.32529%0.294SS..THydrogen-bonded Turntrans-53.3140.9176.8-78.3176.5000112.2A59 V88 E89 S94 M96A59-L92 HydrophobicContact CB-CD2 4.29Å; V88-L92 HydrophobicContact CG1-CD2 4.22Å; V88-L92 WeakPolarHBondContact O-CG 3.5Å; V88-L92 PolarHBondContact O-N 3.34Å; E89-L92 WeakPolarHBondContact OE2-CD1 3.31Å; L92-S94 VanDerWaalsContact C-N 3.29Å; L92-M96 HydrophobicContact CD2-CE 4.29Å
93G92.8Very high95.8Very high54 Ų5451.1 Ų51.156%0.55728%0.283SS*.THydrogen-bonded Turntrans80.76.4-176.500000114.3P56P56-G93 PolarHBondContact O-N 3.03Å
94S93.8Very high95.8Very high55 Ų5548.5 Ų48.539%0.38527%0.272SS..SBendtrans-141.5159.8174.869.50000112.4P56 N91 L92 M96P56-S94 WeakPolarHBondContact CB-O 3.22Å; N91-S94 PolarHBondContact O-N 2.91Å; N91-S94 PolarHBondContact O-OG 2.82Å; L92-S94 VanDerWaalsContact C-N 3.29Å; S94-M96 WeakPolarHBondContact O-CE 3.34Å; S94-M96 PolarHBondContact O-N 2.79Å
95A94.4Very high95.8Very high58 Ų5853.3 Ų53.348%0.47929%0.293SS..  trans-57.7117.7173.200000110.5E10E10-A95 HydrophobicContact CB-CB 4.08Å; E10-A95 HydrophobicContact CG-CB 3.89Å; E10-A95 WeakPolarHBondContact OE1-CA 3.3Å; E10-A95 WeakPolarHBondContact OE2-CA 3.47Å; E10-A95 WeakPolarHBondContact OE2-CB 3.44Å
96M96.3Very high95.8Very high0 Ų054.2 Ų54.20%030%0.297CS..  trans-125.1-7.1-169.969.6-176.378.600114.7E10 Y55 P56 P60 V88 N91 L92 S94 Y98 T99 L100E10-M96 PolarHBondContact OE1-N 2.85Å; Y55-M96 HydrophobicContact CE2-CE 3.91Å; Y55-M96 HydrophobicContact CE2-CG 3.85Å; Y55-M96 HydrophobicContact CE2-SD 4.11Å; Y55-M96 WeakPolarHBondContact OH-CG 3.34Å; Y55-M96 PolarHBondContact OH-N 3.07Å; Y55-M96 VanDerWaalsContact OH-N 3.13Å; P56-M96 HydrophobicContact CB-CE 4.38Å; P60-M96 HydrophobicContact CG-SD 4.1Å; V88-M96 HydrophobicContact CB-SD 4.3Å; V88-M96 HydrophobicContact CG1-SD 4.02Å; V88-M96 HydrophobicContact CG2-SD 4.21Å; N91-M96 HydrophobicContact CB-CB 3.66Å; N91-M96 WeakPolarHBondContact O-CE 3.36Å; L92-M96 HydrophobicContact CD2-CE 4.29Å; S94-M96 WeakPolarHBondContact O-CE 3.34Å; S94-M96 PolarHBondContact O-N 2.79Å; M96-Y98 PolarHBondContact O-N 3.08Å; M96-T99 WeakPolarHBondContact O-CB 3.46Å; M96-T99 PolarHBondContact O-N 3.27Å; M96-L100 HydrophobicContact CG-CD1 3.88Å; M96-L100 HydrophobicContact CG-CG 4.35Å; M96-L100 VanDerWaalsContact O-CG 3.29Å; M96-L100 WeakPolarHBondContact O-CG 3.37Å; M96-L100 PolarHBondContact O-N 3.01Å; M96-L100 HydrophobicContact SD-CD1 4.2Å
97M96.4Very high95.7Very high0 Ų050.8 Ų50.80%028%0.282CS..Hα-helixtrans-61.1-47.6-173.1-67.8-59.7-65.200112.6E10 L14 F32 I49 W51 T99 L100 F101E10-M97 WeakPolarHBondContact OE1-CB 3.4Å; E10-M97 WeakPolarHBondContact OE1-CG 3.18Å; E10-M97 PolarHBondContact OE1-N 2.99Å; L14-M97 HydrophobicContact CD1-CB 3.7Å; L14-M97 HydrophobicContact CD1-CG 4.05Å; L14-M97 HydrophobicContact CD2-CB 3.95Å; L14-M97 HydrophobicContact CG-CB 4.36Å; F32-M97 HydrophobicContact CB-CE 4.43Å; F32-M97 HydrophobicContact CD2-CE 3.76Å; F32-M97 HydrophobicContact CE2-CE 4.47Å; F32-M97 HydrophobicContact CG-CE 4.33Å; I49-M97 HydrophobicContact CB-CE 3.87Å; I49-M97 HydrophobicContact CD1-CE 3.89Å; I49-M97 HydrophobicContact CG1-CE 4.44Å; I49-M97 HydrophobicContact CG2-CE 3.63Å; I49-M97 HydrophobicContact CG2-SD 3.8Å; W51-M97 HydrophobicContact CZ2-CG 3.64Å; W51-M97 VanDerWaalsContact NE1-CG 3.26Å; W51-M97 PolarHBondContact NE1-SD 3.17Å; M97-T99 VanDerWaalsContact C-N 3.31Å; M97-T99 PolarHBondContact O-N 3.31Å; M97-L100 PolarHBondContact O-N 2.8Å; M97-F101 HydrophobicContact CB-CE2 4.31Å; M97-F101 HydrophobicContact CE-CE1 3.99Å; M97-F101 HydrophobicContact CE-CE2 3.98Å; M97-F101 HydrophobicContact CE-CZ 3.39Å; M97-F101 VanDerWaalsContact O-CD2 3.3Å; M97-F101 WeakPolarHBondContact O-CD2 3.08Å; M97-F101 VanDerWaalsContact O-CG 3.26Å; M97-F101 WeakPolarHBondContact O-CG 3.46Å; M97-F101 PolarHBondContact O-N 3.37Å
98Y96.4Very high95.6Very high110 Ų11049.7 Ų49.743%0.43128%0.277SS..Hα-helixtrans-57.7-47.3176.2173.8-103.2000110.9I17 Y18 M96 L100 F101 E102I17-Y98 HydrophobicContact CD1-CD2 3.93Å; I17-Y98 HydrophobicContact CD1-CE2 4.4Å; I17-Y98 HydrophobicContact CD1-CG 4.32Å; I17-Y98 HydrophobicContact CG2-CD2 3.95Å; I17-Y98 HydrophobicContact CG2-CE2 3.84Å; Y18-Y98 HydrophobicContact CE2-CD2 4.24Å; Y18-Y98 WeakPolarHBondContact OH-CD2 3.34Å; M96-Y98 PolarHBondContact O-N 3.08Å; Y98-L100 VanDerWaalsContact C-N 3.34Å; Y98-L100 PolarHBondContact O-N 3.33Å; Y98-F101 PolarHBondContact O-N 3.03Å; Y98-E102 HydrophobicContact CD2-CG 4.01Å; Y98-E102 HydrophobicContact CE1-CG 4.06Å; Y98-E102 HydrophobicContact CE2-CG 3.47Å; Y98-E102 VanDerWaalsContact CE2-CG 3.47Å; Y98-E102 PolarHBondContact O-N 3.01Å
99T96.4Very high95.3Very high53 Ų5356.5 Ų56.533%0.32531%0.308SS..Hα-helixtrans-57.9-45.2177.2-52.10000111.6M96 M97 W103M96-T99 WeakPolarHBondContact O-CB 3.46Å; M96-T99 PolarHBondContact O-N 3.27Å; M97-T99 VanDerWaalsContact C-N 3.31Å; M97-T99 PolarHBondContact O-N 3.31Å; T99-W103 WeakPolarHBondContact O-CB 3.35Å; T99-W103 PolarHBondContact O-N 2.84Å
100L97.2Very high95.1Very high0 Ų054.2 Ų54.20%030%0.298CS..Hα-helixtrans-63.9-42.7178.6-69.3174.2000112P60 I62 L84 Q87 V88 M96 M97 Y98 A104P60-L100 HydrophobicContact CG-CD1 4.15Å; I62-L100 HydrophobicContact CD1-CD1 4.27Å; L84-L100 HydrophobicContact CD2-CD2 4.24Å; Q87-L100 HydrophobicContact CB-CD2 3.63Å; V88-L100 HydrophobicContact CG2-CD1 3.99Å; V88-L100 HydrophobicContact CG2-CD2 3.91Å; M96-L100 HydrophobicContact CG-CD1 3.88Å; M96-L100 HydrophobicContact CG-CG 4.35Å; M96-L100 VanDerWaalsContact O-CG 3.29Å; M96-L100 WeakPolarHBondContact O-CG 3.37Å; M96-L100 PolarHBondContact O-N 3.01Å; M96-L100 HydrophobicContact SD-CD1 4.2Å; M97-L100 PolarHBondContact O-N 2.8Å; Y98-L100 VanDerWaalsContact C-N 3.34Å; Y98-L100 PolarHBondContact O-N 3.33Å; L100-A104 VanDerWaalsContact O-CB 3.27Å; L100-A104 WeakPolarHBondContact O-CB 3.43Å; L100-A104 PolarHBondContact O-N 2.8Å
101F96.3Very high94.9Very high0 Ų050.7 Ų50.70%027%0.268CS..Hα-helixtrans-66.7-50.2179.8-66.1-29.5000112.3L14 Y18 F24 F32 F34 I49 M97 Y98 A104 K105L14-F101 HydrophobicContact CD2-CD2 4.43Å; L14-F101 HydrophobicContact CD2-CE2 4.27Å; Y18-F101 AromaticContact CE2-CD2 3.82Å; Y18-F101 HydrophobicContact CE2-CD2 3.82Å; Y18-F101 HydrophobicContact CE2-CE2 4.41Å; F24-F101 AromaticContact CD2-CE2 3.82Å; F24-F101 HydrophobicContact CD2-CE2 3.82Å; F24-F101 HydrophobicContact CD2-CZ 4.25Å; F24-F101 AromaticContact CE2-CE2 3.64Å; F24-F101 HydrophobicContact CE2-CE2 3.64Å; F24-F101 HydrophobicContact CE2-CZ 4.04Å; F32-F101 HydrophobicContact CB-CZ 4.32Å; F34-F101 HydrophobicContact CB-CD1 3.56Å; F34-F101 HydrophobicContact CB-CE1 3.35Å; F34-F101 HydrophobicContact CB-CE2 4.49Å; F34-F101 HydrophobicContact CB-CG 4.22Å; F34-F101 HydrophobicContact CB-CZ 3.86Å; F34-F101 HydrophobicContact CD1-CB 3.92Å; F34-F101 AromaticContact CD1-CD1 3.63Å; F34-F101 HydrophobicContact CD1-CD1 3.63Å; F34-F101 HydrophobicContact CD1-CE1 4.33Å; F34-F101 AromaticContact CD1-CG 3.9Å; F34-F101 HydrophobicContact CD1-CG 3.9Å; F34-F101 HydrophobicContact CD2-CB 4.44Å; F34-F101 HydrophobicContact CD2-CD1 4.3Å; F34-F101 HydrophobicContact CD2-CD2 4.27Å; F34-F101 HydrophobicContact CD2-CG 4.11Å; F34-F101 HydrophobicContact CE1-CB 3.78Å; F34-F101 HydrophobicContact CE1-CD1 4.39Å; F34-F101 HydrophobicContact CE1-CG 4.26Å; F34-F101 HydrophobicContact CE2-CB 4.34Å; F34-F101 HydrophobicContact CE2-CG 4.46Å; F34-F101 HydrophobicContact CG-CB 4.24Å; F34-F101 AromaticContact CG-CD1 3.57Å; F34-F101 HydrophobicContact CG-CD1 3.57Å; F34-F101 HydrophobicContact CG-CD2 4.34Å; F34-F101 AromaticContact CG-CE1 3.89Å; F34-F101 HydrophobicContact CG-CE1 3.89Å; F34-F101 AromaticContact CG-CG 3.81Å; F34-F101 HydrophobicContact CG-CG 3.81Å; F34-F101 HydrophobicContact CG-CZ 4.4Å; F34-F101 HydrophobicContact CZ-CB 4Å; I49-F101 HydrophobicContact CD1-CD1 4.25Å; I49-F101 HydrophobicContact CD1-CE1 3.52Å; I49-F101 HydrophobicContact CD1-CZ 4.29Å; I49-F101 HydrophobicContact CG1-CE1 4.4Å; M97-F101 HydrophobicContact CB-CE2 4.31Å; M97-F101 HydrophobicContact CE-CE1 3.99Å; M97-F101 HydrophobicContact CE-CE2 3.98Å; M97-F101 HydrophobicContact CE-CZ 3.39Å; M97-F101 VanDerWaalsContact O-CD2 3.3Å; M97-F101 WeakPolarHBondContact O-CD2 3.08Å; M97-F101 VanDerWaalsContact O-CG 3.26Å; M97-F101 WeakPolarHBondContact O-CG 3.46Å; M97-F101 PolarHBondContact O-N 3.37Å; Y98-F101 PolarHBondContact O-N 3.03Å; F101-A104 PolarHBondContact O-N 3.4Å; F101-K105 WeakPolarHBondContact O-CB 3.39Å; F101-K105 PolarHBondContact O-N 3.22Å
102E96.1Very high94.7Very high36 Ų3648.9 Ų48.917%0.16826%0.258CS..Hα-helixtrans-66.2-40.5178.8-64.7-50140.500111.2Y18 Y98 A104 K105 E106Y18-E102 PolarHBondContact OH-OE1 3.04Å; Y98-E102 HydrophobicContact CD2-CG 4.01Å; Y98-E102 HydrophobicContact CE1-CG 4.06Å; Y98-E102 HydrophobicContact CE2-CG 3.47Å; Y98-E102 VanDerWaalsContact CE2-CG 3.47Å; Y98-E102 PolarHBondContact O-N 3.01Å; E102-A104 PolarHBondContact O-N 2.85Å; E102-K105 WeakPolarHBondContact O-CB 3.28Å; E102-K105 PolarHBondContact O-N 3.19Å; E102-K105 IonicContact OE2-NZ 3.82Å; E102-E106 WeakPolarHBondContact O-CB 3.32Å; E102-E106 WeakPolarHBondContact O-CG 3.44Å; E102-E106 PolarHBondContact O-N 2.95Å
103W97.2Very high94.3Very high42 Ų4252.6 Ų52.616%0.15927%0.274CS..Hα-helixtrans-60.6-45.3175.4-175.689.2000111.6K83 L84 Q87 T99 K105 E106 N107 L111K83-W103 HydrophobicContact CB-CH2 3.72Å; K83-W103 HydrophobicContact CB-CZ3 4.26Å; L84-W103 HydrophobicContact CD2-CE3 3.8Å; L84-W103 HydrophobicContact CD2-CZ3 3.96Å; L84-W103 HydrophobicContact CG-CZ3 4.29Å; Q87-W103 HydrophobicContact CG-CD2 3.58Å; Q87-W103 HydrophobicContact CG-CE3 3.9Å; Q87-W103 HydrophobicContact CG-CG 3.93Å; Q87-W103 HydrophobicContact CG-CZ2 4.3Å; Q87-W103 HydrophobicContact CG-CZ3 4.4Å; T99-W103 WeakPolarHBondContact O-CB 3.35Å; T99-W103 PolarHBondContact O-N 2.84Å; W103-K105 VanDerWaalsContact C-N 3.27Å; W103-K105 PolarHBondContact O-N 3.43Å; W103-E106 PolarHBondContact O-N 2.84Å; W103-N107 HydrophobicContact CH2-CB 4.12Å; W103-N107 HydrophobicContact CZ2-CB 4.09Å; W103-N107 HydrophobicContact CZ3-CB 4.44Å; W103-N107 PolarHBondContact NE1-ND2 2.86Å; W103-N107 WeakPolarHBondContact O-CB 3.47Å; W103-N107 PolarHBondContact O-N 3.18Å; W103-N107 PolarHBondContact O-ND2 2.95Å; W103-L111 HydrophobicContact CH2-CD2 4.02Å; W103-L111 HydrophobicContact CZ3-CD1 4.02Å; W103-L111 HydrophobicContact CZ3-CD2 4.13Å; W103-L111 HydrophobicContact CZ3-CG 4.48Å
104A96.3Very high93.7Very high0 Ų055.3 Ų55.30%028%0.276CS..Hα-helixtrans-62.3-37.1177.600000112.1V36 L47 L84 L100 F101 E102 Q108V36-A104 HydrophobicContact CG2-CB 3.86Å; L47-A104 HydrophobicContact CD1-CB 3.78Å; L84-A104 HydrophobicContact CD2-CB 4.29Å; L100-A104 VanDerWaalsContact O-CB 3.27Å; L100-A104 WeakPolarHBondContact O-CB 3.43Å; L100-A104 PolarHBondContact O-N 2.8Å; F101-A104 PolarHBondContact O-N 3.4Å; E102-A104 PolarHBondContact O-N 2.85Å; A104-Q108 PolarHBondContact O-N 2.81Å; A104-Q108 VanDerWaalsContact O-N 3.11Å
105K95Very high93.1Very high102 Ų10253.9 Ų53.944%0.44326%0.263SS..Hα-helixtrans-67.4-46.3177.2-174.1179.6173.2-173.70112.4F101 E102 W103 N107 Q108F101-K105 WeakPolarHBondContact O-CB 3.39Å; F101-K105 PolarHBondContact O-N 3.22Å; E102-K105 WeakPolarHBondContact O-CB 3.28Å; E102-K105 PolarHBondContact O-N 3.19Å; E102-K105 IonicContact OE2-NZ 3.82Å; W103-K105 VanDerWaalsContact C-N 3.27Å; W103-K105 PolarHBondContact O-N 3.43Å; K105-N107 VanDerWaalsContact C-N 3.31Å; K105-N107 PolarHBondContact O-N 3.25Å; K105-Q108 WeakPolarHBondContact O-CB 3.47Å; K105-Q108 PolarHBondContact O-N 2.8Å
106E95.9Very high92Very high154 Ų15461.1 Ų61.172%0.7228%0.278SS*.Hα-helixtrans-66.3-33.7177.6-71.3179.2173.300112.5E102 W103E102-E106 WeakPolarHBondContact O-CB 3.32Å; E102-E106 WeakPolarHBondContact O-CG 3.44Å; E102-E106 PolarHBondContact O-N 2.95Å; W103-E106 PolarHBondContact O-N 2.84Å
107N94.8Very high90.5Very high36 Ų3665.6 Ų65.619%0.19331%0.307CS..THydrogen-bonded Turntrans-98.811.6-176.2-64.6-89.8000113.1W103 K105 E109 E110 L111W103-N107 HydrophobicContact CH2-CB 4.12Å; W103-N107 HydrophobicContact CZ2-CB 4.09Å; W103-N107 HydrophobicContact CZ3-CB 4.44Å; W103-N107 PolarHBondContact NE1-ND2 2.86Å; W103-N107 WeakPolarHBondContact O-CB 3.47Å; W103-N107 PolarHBondContact O-N 3.18Å; W103-N107 PolarHBondContact O-ND2 2.95Å; K105-N107 VanDerWaalsContact C-N 3.31Å; K105-N107 PolarHBondContact O-N 3.25Å; N107-E109 PolarHBondContact O-N 3.43Å; N107-E109 VanDerWaalsContact O-N 3.17Å; N107-E110 PolarHBondContact O-N 3.34Å; N107-E110 VanDerWaalsContact O-N 3.13Å; N107-L111 HydrophobicContact CB-CD1 4.35Å; N107-L111 HydrophobicContact CB-CG 4.29Å; N107-L111 WeakPolarHBondContact O-CB 3.27Å; N107-L111 VanDerWaalsContact O-CG 3.23Å; N107-L111 WeakPolarHBondContact O-CG 3.49Å; N107-L111 PolarHBondContact O-N 3.34Å
108Q93.9Very high88.7Confident24 Ų2468.7 Ų68.711%0.11233%0.326CS..Hα-helixtrans-51.9-43.3-176.7-177.8-169-23.100112.3V36 G37 D41 K43 F45 A104 K105 L111 M112V36-Q108 HydrophobicContact CG1-CB 3.8Å; V36-Q108 HydrophobicContact CG1-CG 3.73Å; G37-Q108 VanDerWaalsContact CA-OE1 3.29Å; D41-Q108 PolarHBondContact OD2-NE2 3.34Å; K43-Q108 PolarHBondContact O-NE2 2.99Å; F45-Q108 HydrophobicContact CE1-CG 4.25Å; A104-Q108 PolarHBondContact O-N 2.81Å; A104-Q108 VanDerWaalsContact O-N 3.11Å; K105-Q108 WeakPolarHBondContact O-CB 3.47Å; K105-Q108 PolarHBondContact O-N 2.8Å; Q108-L111 PolarHBondContact O-N 3.4Å; Q108-M112 WeakPolarHBondContact O-CB 3.5Å; Q108-M112 PolarHBondContact O-N 3.35Å; Q108-M112 VanDerWaalsContact O-N 3.08Å
109E90.8Very high86.5Confident148 Ų14869.3 Ų69.369%0.69234%0.341SS*.Hα-helixtrans-65.1-40.9-177.8-67.4-165.3165.200113.1N107 M112 E113N107-E109 PolarHBondContact O-N 3.43Å; N107-E109 VanDerWaalsContact O-N 3.17Å; E109-M112 CarbonylContact O-C 3.54Å; E109-E113 WeakPolarHBondContact O-CA 3.49Å; E109-E113 PolarHBondContact O-N 3.33Å
110E91.5Very high84.1Confident89 Ų8972.2 Ų72.242%0.41635%0.354SS..Hα-helixtrans-68.5-47.6176.8-178.3-173.6150.300110.3K83 N107 M112 E113K83-E110 IonicContact NZ-OE1 2.77Å; K83-E110 PolarHBondContact NZ-OE1 3.09Å; N107-E110 PolarHBondContact O-N 3.34Å; N107-E110 VanDerWaalsContact O-N 3.13Å; E110-M112 PolarHBondContact O-N 2.89Å; E110-M112 VanDerWaalsContact O-N 3.14Å; E110-E113 VanDerWaalsContact O-CB 3.31Å; E110-E113 WeakPolarHBondContact O-CB 3.46Å; E110-E113 PolarHBondContact O-N 3.01Å; E110-E113 VanDerWaalsContact O-N 3.08Å
111L91.1Very high81.4Confident3 Ų376.3 Ų76.32%0.01639%0.388CS..Hα-helixtrans-57-32.2179.8-73.9179.5000112.5F45 I80 K83 W103 N107 Q108F45-L111 HydrophobicContact CE1-CB 4.49Å; F45-L111 HydrophobicContact CE1-CD1 4.4Å; F45-L111 HydrophobicContact CZ-CD1 3.85Å; I80-L111 HydrophobicContact CB-CD2 4.45Å; I80-L111 HydrophobicContact CG1-CB 4.06Å; I80-L111 HydrophobicContact CG1-CD2 4.16Å; I80-L111 HydrophobicContact CG2-CD2 4.5Å; K83-L111 HydrophobicContact CB-CD2 3.99Å; K83-L111 HydrophobicContact CG-CD2 4.24Å; W103-L111 HydrophobicContact CH2-CD2 4.02Å; W103-L111 HydrophobicContact CZ3-CD1 4.02Å; W103-L111 HydrophobicContact CZ3-CD2 4.13Å; W103-L111 HydrophobicContact CZ3-CG 4.48Å; N107-L111 HydrophobicContact CB-CD1 4.35Å; N107-L111 HydrophobicContact CB-CG 4.29Å; N107-L111 WeakPolarHBondContact O-CB 3.27Å; N107-L111 VanDerWaalsContact O-CG 3.23Å; N107-L111 WeakPolarHBondContact O-CG 3.49Å; N107-L111 PolarHBondContact O-N 3.34Å; Q108-L111 PolarHBondContact O-N 3.4Å
112M91.1Very high78.8Confident0 Ų082.5 Ų82.50%043%0.426CS..THydrogen-bonded Turntrans-109.615.8-178.5-64.9-71.1-73.600113K43 F45 I72 T76 I80 Q108 E109 E110 N114 H115K43-M112 HydrophobicContact CB-CB 3.82Å; K43-M112 HydrophobicContact CB-CE 4.45Å; K43-M112 HydrophobicContact CB-CG 4.15Å; K43-M112 HydrophobicContact CD-CB 3.97Å; K43-M112 HydrophobicContact CG-CB 3.84Å; K43-M112 WeakPolarHBondContact O-CG 3.23Å; F45-M112 HydrophobicContact CD1-CG 3.94Å; F45-M112 HydrophobicContact CD1-SD 4.07Å; F45-M112 HydrophobicContact CE1-CG 4.07Å; I72-M112 HydrophobicContact CD1-CE 4.01Å; I72-M112 HydrophobicContact CD1-SD 4.26Å; I72-M112 HydrophobicContact CG1-CE 4.1Å; I72-M112 HydrophobicContact CG2-SD 4.41Å; T76-M112 HydrophobicContact CG2-SD 3.82Å; I80-M112 HydrophobicContact CD1-SD 3.95Å; Q108-M112 WeakPolarHBondContact O-CB 3.5Å; Q108-M112 PolarHBondContact O-N 3.35Å; Q108-M112 VanDerWaalsContact O-N 3.08Å; E109-M112 CarbonylContact O-C 3.54Å; E110-M112 PolarHBondContact O-N 2.89Å; E110-M112 VanDerWaalsContact O-N 3.14Å; M112-N114 VanDerWaalsContact C-N 3.33Å; M112-N114 PolarHBondContact O-N 2.85Å; M112-H115 HydrophobicContact CB-CB 4.2Å; M112-H115 HydrophobicContact CE-CB 3.71Å; M112-H115 WeakPolarHBondContact O-CB 3.49Å; M112-H115 PolarHBondContact O-N 2.85Å; M112-H115 VanDerWaalsContact O-N 3.09Å; M112-H115 HydrophobicContact SD-CB 4.2Å
113E86.3Confident76.3Confident140 Ų14086.6 Ų86.665%0.65445%0.453SS*.THydrogen-bonded Turntrans-59.5-44.4-177.3-176.6-178.7-151.200111.8E109 E110 H115E109-E113 WeakPolarHBondContact O-CA 3.49Å; E109-E113 PolarHBondContact O-N 3.33Å; E110-E113 VanDerWaalsContact O-CB 3.31Å; E110-E113 WeakPolarHBondContact O-CB 3.46Å; E110-E113 PolarHBondContact O-N 3.01Å; E110-E113 VanDerWaalsContact O-N 3.08Å; E113-H115 VanDerWaalsContact C-N 3.28Å; E113-H115 PolarHBondContact O-N 3.22Å
114N81.3Confident73.5Confident111 Ų11191.8 Ų91.859%0.59448%0.483SS*.THydrogen-bonded Turntrans-87.44.2-179.8-66.2-56.8000113.2M112 R116M112-N114 VanDerWaalsContact C-N 3.33Å; M112-N114 PolarHBondContact O-N 2.85Å; N114-R116 PolarHBondContact O-N 2.89Å
115H80.6Confident70.8Confident26 Ų2698.5 Ų98.512%0.1253%0.525CS..  trans-65.9112.5179.6-177.3-103000109.7R71 M112 E113R71-H115 PolarHBondContact O-NE2 2.58Å; M112-H115 HydrophobicContact CB-CB 4.2Å; M112-H115 HydrophobicContact CE-CB 3.71Å; M112-H115 WeakPolarHBondContact O-CB 3.49Å; M112-H115 PolarHBondContact O-N 2.85Å; M112-H115 VanDerWaalsContact O-N 3.09Å; M112-H115 HydrophobicContact SD-CB 4.2Å; E113-H115 VanDerWaalsContact C-N 3.28Å; E113-H115 PolarHBondContact O-N 3.22Å
116R71.3Confident68.1Low209 Ų20998.3 Ų98.379%0.78954%0.536SS*.  trans-104.5124.1163-62.9-175.5-176.6-151.1-0.3105.9N114 V118N114-R116 PolarHBondContact O-N 2.89Å; R116-V118 PolarHBondContact O-N 3.18Å
117P64.8Low65.2Low94 Ų9499.1 Ų99.161%0.6155%0.545SS*.  trans-55114.3178.519.8-29.9000108.3V119P117-V119 VanDerWaalsContact C-N 3.32Å; P117-V119 PolarHBondContact O-N 2.81Å
118V57.8Low62.4Low65 Ų65103.3 Ų103.339%0.39457%0.572SS.*  trans-68.8101174.7-178.10000105.1R71 R116 N120R71-V118 PolarHBondContact O-N 3.13Å; R116-V118 PolarHBondContact O-N 3.18Å; V118-N120 PolarHBondContact O-N 3.18Å
119V51.2Low59.7Low124 Ų124110.3 Ų110.375%0.75261%0.605SS**  trans-6792.6167.3-169.80000104.9P117 A121P117-V119 VanDerWaalsContact C-N 3.32Å; P117-V119 PolarHBondContact O-N 2.81Å; V119-A121 PolarHBondContact O-N 2.8Å
120N45.9Very low57Low113 Ų113109.4 Ų109.460%0.60461%0.609SS**  trans-5999163-78.4-18.8000105.4V118 V122V118-N120 PolarHBondContact O-N 3.18Å; N120-V122 PolarHBondContact O-N 2.86Å
121A39.8Very low54.2Low87 Ų87110.9 Ų110.972%0.71962%0.624SS**  trans-6778.2177.400000108.6V119 T123V119-A121 PolarHBondContact O-N 2.8Å; A121-T123 VanDerWaalsContact C-N 3.31Å; A121-T123 PolarHBondContact O-N 2.76Å
122V42.8Very low51.3Low129 Ų129116.3 Ų116.378%0.78266%0.658SS**  trans-67.7107.5137.9-1780000103.8N120 L124N120-V122 PolarHBondContact O-N 2.86Å; V122-L124 PolarHBondContact O-N 2.98Å
123T42.4Very low48.8Very low123 Ų123122 Ų12276%0.75570%0.695SS**SBendtrans-43.7100170.733.50000110.7A121A121-T123 VanDerWaalsContact C-N 3.31Å; A121-T123 PolarHBondContact O-N 2.76Å
124L39.3Very low46Very low150 Ų150121 Ų12179%0.78570%0.703SS**  trans-151.479.3151-134.478.1000108.2V122 S126V122-L124 PolarHBondContact O-N 2.98Å; L124-S126 PolarHBondContact O-N 2.76Å; L124-S126 PolarHBondContact O-OG 2.78Å
125T38.8Very low43.6Very low142 Ų142119.9 Ų119.987%0.87171%0.71SS**  trans-46.8108.9172.349.50000110.6
126S38Very low41.6Very low97 Ų97123 Ų12368%0.67874%0.74SS**  trans-133.474.3170.3-530000107.4L124L124-S126 PolarHBondContact O-N 2.76Å; L124-S126 PolarHBondContact O-OG 2.78Å
127N36.4Very low39.8Very low172 Ų172123 Ų12392%0.9275%0.746SS**  trans-84.9111.3166.4-88.632.2000108.8
128T35.6Very low38.5Very low123 Ų123128.9 Ų128.976%0.75576%0.762SS**  trans-99.4131.3148.1-15.70000103.2
129E36.9Very low37.3Very low171 Ų171136.9 Ų136.980%0.79979%0.785SS**  -166.214764.1-77.4173.5159.800112.7
130V33.7Very low36.8Very low129 Ų129140.2 Ų140.278%0.78279%0.792SS**  trans-14.1138.9133.3-111.80000114.6
131T32.9Very low36.4Very low120 Ų120144.3 Ų144.374%0.73681%0.805SS**  cis-164.9151.838.5-58.10000111.7
132T30.8Very low36.6Very low118 Ų118149.8 Ų149.872%0.72481%0.812SS**  trans-51.4-177.9179.955.90000119.4
133P38.8Very low37Very low119 Ų119151.4 Ų151.477%0.77381%0.812SS**  cis-137.5155.37.135-14.3000117.8
134S27.9Very low37.4Very low118 Ų118154.3 Ų154.383%0.82582%0.817SS**  161.4140.9122.2-172.40000112.5
135A30.8Very low38.2Very low89 Ų89150.3 Ų150.374%0.73680%0.796SS**  trans7090.3162.200000119.8
136A37.2Very low39.4Very low92 Ų92147.4 Ų147.476%0.7678%0.778SS**  trans57.6101133.200000119.4
137K35.1Very low40.7Very low208 Ų208151.9 Ų151.990%0.90479%0.785SS**  -175143.9117.6-93.4162.1-165.1-173.60110.9
138K35.8Very low42Very low218 Ų218146.7 Ų146.795%0.94877%0.766SS**PPolyproline II helixtrans-61.5127.4-164.3-152.7174.8-177.1-177.10112.4
139R34.1Very low43.4Very low232 Ų232144.4 Ų144.488%0.87575%0.746SS**PPolyproline II helixtrans-87.8134177.4-67.9-176.8175.8-170.9-1.8111.4
140E39.3Very low45Very low194 Ų194142.1 Ų142.191%0.90773%0.734SS**PPolyproline II helixtrans-96.4120.7155-71.3-171.7153.600108.6K142E140-K142 PolarHBondContact O-N 3.44Å
141K37.9Very low46.2Very low199 Ų199144.3 Ų144.387%0.86573%0.728SS**  trans-78.7113.9178.6-75.2178.4175.5176.50108.8E143K141-E143 PolarHBondContact O-N 3.33Å
142K43.4Very low47.7Very low202 Ų202147.9 Ų147.988%0.87873%0.728SS**  trans-66.1121.1163-74.6-178.1175.4177.80108.7E140 Q144E140-K142 PolarHBondContact O-N 3.44Å; K142-Q144 PolarHBondContact O-N 2.84Å
143E51.6Low49.1Very low164 Ų164146.6 Ų146.677%0.76672%0.715SS**  trans-58.6112.2-178.5-167.1175.1172.500110.6K141 L145K141-E143 PolarHBondContact O-N 3.33Å; E143-L145 PolarHBondContact O-N 2.89Å
144Q51.6Low50.1Low184 Ų184146.8 Ų146.886%0.8671%0.708SS**  trans-79104.6176.4-69.8-171.32400109.1K142 T146K142-Q144 PolarHBondContact O-N 2.84Å; Q144-T146 PolarHBondContact O-N 2.98Å
145L55.7Low51.7Low66 Ų66146.6 Ų146.635%0.34670%0.698SS.*  trans-68.5126.7176.1-67.3167.3000110.6E143 Q149 K150 M153E143-L145 PolarHBondContact O-N 2.89Å; L145-Q149 HydrophobicContact CB-CB 4.09Å; L145-Q149 HydrophobicContact CD2-CB 4.03Å; L145-Q149 HydrophobicContact CD2-CG 4.32Å; L145-K150 HydrophobicContact CB-CG 4.39Å; L145-K150 WeakPolarHBondContact O-CE 3.36Å; L145-M153 HydrophobicContact CD1-CE 3.53Å
146T63.7Low53.3Low80 Ų80149.6 Ų149.649%0.49169%0.69SS.*  trans-62.3156.717758.90000111.8Q144 A148 Q149 K150Q144-T146 PolarHBondContact O-N 2.98Å; T146-A148 PolarHBondContact O-N 2.95Å; T146-A148 VanDerWaalsContact O-N 3.08Å; T146-Q149 WeakPolarHBondContact O-CA 3.2Å; T146-Q149 WeakPolarHBondContact O-CB 3.09Å; T146-Q149 PolarHBondContact O-N 3.19Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.39Å; T146-Q149 PolarHBondContact OG1-OE1 2.83Å; T146-K150 PolarHBondContact O-N 3.21Å
147K65.1Low54.6Low192 Ų192147.7 Ų147.784%0.83567%0.669SS**Hα-helixtrans-51-35.4178.3-166176-178.1177.80112.6R151K147-R151 PolarHBondContact O-N 2.89Å
148A63.7Low55.9Low63 Ų63143.1 Ų143.152%0.52166%0.655SS.*Hα-helixtrans-68.8-40.4175.700000113.2T146 R151 R152T146-A148 PolarHBondContact O-N 2.95Å; T146-A148 VanDerWaalsContact O-N 3.08Å; A148-R151 PolarHBondContact O-N 3Å; A148-R152 WeakPolarHBondContact O-CG 3.42Å; A148-R152 PolarHBondContact O-N 3.02Å
149Q65.9Low57.1Low74 Ų74141.8 Ų141.835%0.34665%0.651SS.*Hα-helixtrans-66.3-40.4175.1-73.2164.5-44.200111.3L145 T146 R152 M153L145-Q149 HydrophobicContact CB-CB 4.09Å; L145-Q149 HydrophobicContact CD2-CB 4.03Å; L145-Q149 HydrophobicContact CD2-CG 4.32Å; T146-Q149 WeakPolarHBondContact O-CA 3.2Å; T146-Q149 WeakPolarHBondContact O-CB 3.09Å; T146-Q149 PolarHBondContact O-N 3.19Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.39Å; T146-Q149 PolarHBondContact OG1-OE1 2.83Å; Q149-R152 PolarHBondContact O-N 3.46Å; Q149-M153 PolarHBondContact O-N 3.26Å
150K69.8Low58.6Low124 Ų124139.2 Ų139.254%0.53965%0.647SS.*Hα-helixtrans-61.2-44.5173.8-67-176.1-179.5-179.10111.9L145 T146 R152 M153 I154L145-K150 HydrophobicContact CB-CG 4.39Å; L145-K150 WeakPolarHBondContact O-CE 3.36Å; T146-K150 PolarHBondContact O-N 3.21Å; K150-R152 VanDerWaalsContact C-N 3.34Å; K150-R152 PolarHBondContact O-N 3.06Å; K150-M153 PolarHBondContact O-N 2.84Å; K150-I154 WeakPolarHBondContact O-CG1 3.46Å; K150-I154 PolarHBondContact O-N 3.43Å
151R59.9Low59.8Low174 Ų174132.8 Ų132.866%0.65763%0.633SS**Hα-helixtrans-62.6-37.7177.3-165.9174.6-175.1-101.81112.8K147 A148 I154 N155K147-R151 PolarHBondContact O-N 2.89Å; A148-R151 PolarHBondContact O-N 3Å; R151-I154 PolarHBondContact O-N 2.92Å; R151-N155 PolarHBondContact O-N 3.4Å; R151-N155 VanDerWaalsContact O-N 3.09Å
152R64.8Low61.3Low196 Ų196130 Ų13074%0.7462%0.622SS**Hα-helixtrans-64.7-37.2176.1-77-178.6-176.9178.81.5112.9A148 Q149 K150 R156A148-R152 WeakPolarHBondContact O-CG 3.42Å; A148-R152 PolarHBondContact O-N 3.02Å; Q149-R152 PolarHBondContact O-N 3.46Å; K150-R152 VanDerWaalsContact C-N 3.34Å; K150-R152 PolarHBondContact O-N 3.06Å; R152-R156 PolarHBondContact O-N 3.48Å
153M59.5Low62.6Low91 Ų91124 Ų12445%0.44860%0.6SS.*Hα-helixtrans-71.2-37.8178.7-68.8-165.5-6700112.5L145 Q149 K150 R156 T157L145-M153 HydrophobicContact CD1-CE 3.53Å; Q149-M153 PolarHBondContact O-N 3.26Å; K150-M153 PolarHBondContact O-N 2.84Å; M153-R156 PolarHBondContact O-N 3.16Å; M153-T157 PolarHBondContact O-OG1 2.87Å
154I60.6Low63.6Low123 Ų123119.7 Ų119.763%0.63159%0.586SS**Hα-helixtrans-65.6-43.4176-65.6165.6000110.7K150 R151 R156 T157K150-I154 WeakPolarHBondContact O-CG1 3.46Å; K150-I154 PolarHBondContact O-N 3.43Å; R151-I154 PolarHBondContact O-N 2.92Å; I154-R156 PolarHBondContact O-N 3.2Å; I154-T157 PolarHBondContact O-N 3.37Å; I154-T157 VanDerWaalsContact O-O 3.12Å
155N60.7Low64.1Low114 Ų114122.9 Ų122.961%0.6159%0.59SS**THydrogen-bonded Turntrans-70.1-12.8179-72.3-9.5000114.2R151R151-N155 PolarHBondContact O-N 3.4Å; R151-N155 VanDerWaalsContact O-N 3.09Å
156R63.8Low64.6Low152 Ų152121 Ų12157%0.57459%0.586SS**THydrogen-bonded Turntrans-84-15.6-178.1-171.415669.6164.72.3112.7R152 M153 I154 L163R152-R156 PolarHBondContact O-N 3.48Å; M153-R156 PolarHBondContact O-N 3.16Å; I154-R156 PolarHBondContact O-N 3.2Å; R156-L163 HydrophobicContact CG-CD2 3.83Å
157T63.9Low65Low52 Ų52125.2 Ų125.232%0.31959%0.594SS.*SBendtrans-138138.2-162.8-34.70000110.2M153 I154 G161 E162M153-T157 PolarHBondContact O-OG1 2.87Å; I154-T157 PolarHBondContact O-N 3.37Å; I154-T157 VanDerWaalsContact O-O 3.12Å; T157-G161 WeakPolarHBondContact CG2-O 3.48Å; T157-E162 VanDerWaalsContact CG2-N 3.31Å; T157-E162 WeakPolarHBondContact CG2-O 3.33Å
158D63Low65Low112 Ų112121.8 Ų121.860%0.59958%0.584SS**  trans-73.1173.7178.5-160-1000111.5K160 G161 E162D158-K160 PolarHBondContact O-N 3.04Å; D158-G161 PolarHBondContact O-N 3.1Å; D158-E162 PolarHBondContact N-O 3.31Å
159H61.5Low65.2Low189 Ų189129.5 Ų129.588%0.87560%0.6SS**THydrogen-bonded Turntrans-55.8-14-178.8-172.8-72.3000114
160K65.1Low64.9Low179 Ų179130.3 Ų130.378%0.77861%0.61SS**THydrogen-bonded Turntrans-97.9-1175.6-75.1175.1176.1-78.80114.8D158 E162D158-K160 PolarHBondContact O-N 3.04Å; K160-E162 VanDerWaalsContact C-N 3.34Å
161G64.9Low64.7Low59 Ų59128.8 Ų128.861%0.60861%0.608SS**SBendtrans81.312.3-176.800000114.3T157 D158T157-G161 WeakPolarHBondContact CG2-O 3.48Å; D158-G161 PolarHBondContact O-N 3.1Å
162E68.3Low64.9Low139 Ų139125.1 Ų125.165%0.6561%0.605SS**  trans-104.9149.6176.9-62.3-173.5168.400112.6T157 D158 K160T157-E162 VanDerWaalsContact CG2-N 3.31Å; T157-E162 WeakPolarHBondContact CG2-O 3.33Å; D158-E162 PolarHBondContact N-O 3.31Å; K160-E162 VanDerWaalsContact C-N 3.34Å
163L70.7Confident64.7Low78 Ų78122.2 Ų122.241%0.40860%0.602SS.*PPolyproline II helixtrans-68.8143.1172.9-73153.7000109.5R156 R165 W167R156-L163 HydrophobicContact CG-CD2 3.83Å; L163-R165 PolarHBondContact O-N 3.45Å; L163-W167 HydrophobicContact CB-CB 4.34Å; L163-W167 HydrophobicContact CB-CG 4.45Å; L163-W167 HydrophobicContact CD1-CD2 4.24Å; L163-W167 HydrophobicContact CD1-CE3 3.72Å; L163-W167 HydrophobicContact CD1-CH2 4.45Å; L163-W167 HydrophobicContact CD1-CZ3 3.84Å; L163-W167 HydrophobicContact CD2-CD2 3.88Å; L163-W167 HydrophobicContact CD2-CE3 4.23Å; L163-W167 HydrophobicContact CD2-CG 4.15Å; L163-W167 HydrophobicContact CD2-CZ2 4.45Å; L163-W167 HydrophobicContact CG-CD2 4.45Å; L163-W167 HydrophobicContact CG-CE3 4.39Å
164P73.3Confident64.9Low73 Ų73125 Ų12547%0.47461%0.612SS.*PPolyproline II helixtrans-53.2138.3179.5-25.933.3000112.4G166 W167P164-G166 PolarHBondContact O-N 3.05Å; P164-G166 VanDerWaalsContact O-N 3.12Å; P164-W167 VanDerWaalsContact O-CB 3.31Å; P164-W167 WeakPolarHBondContact O-CB 3.28Å; P164-W167 PolarHBondContact O-N 2.99Å
165R63Low65.1Low251 Ų251124.9 Ų124.995%0.94761%0.609SS**THydrogen-bonded Turntrans-53.3122.1172.6-112.4176.692.9-116.47.6108.7L163L163-R165 PolarHBondContact O-N 3.45Å
166G65.8Low65.1Low26 Ų26124.7 Ų124.727%0.26861%0.607SS.*THydrogen-bonded Turntrans94.55.3-177.900000116.6P164 N168 W169P164-G166 PolarHBondContact O-N 3.05Å; P164-G166 VanDerWaalsContact O-N 3.12Å; G166-N168 PolarHBondContact O-N 3.17Å; G166-N168 VanDerWaalsContact O-N 3.17Å; G166-W169 VanDerWaalsContact CA-CE2 3.47Å; G166-W169 PolarHBondContact O-N 2.85Å
167W71.8Confident65.2Low169 Ų169121.9 Ų121.964%0.6461%0.611SS**THydrogen-bonded Turntrans-58.2-24.9170.9-177.675.4000113.8L163 P164L163-W167 HydrophobicContact CB-CB 4.34Å; L163-W167 HydrophobicContact CB-CG 4.45Å; L163-W167 HydrophobicContact CD1-CD2 4.24Å; L163-W167 HydrophobicContact CD1-CE3 3.72Å; L163-W167 HydrophobicContact CD1-CH2 4.45Å; L163-W167 HydrophobicContact CD1-CZ3 3.84Å; L163-W167 HydrophobicContact CD2-CD2 3.88Å; L163-W167 HydrophobicContact CD2-CE3 4.23Å; L163-W167 HydrophobicContact CD2-CG 4.15Å; L163-W167 HydrophobicContact CD2-CZ2 4.45Å; L163-W167 HydrophobicContact CG-CD2 4.45Å; L163-W167 HydrophobicContact CG-CE3 4.39Å; P164-W167 VanDerWaalsContact O-CB 3.31Å; P164-W167 WeakPolarHBondContact O-CB 3.28Å; P164-W167 PolarHBondContact O-N 2.99Å
168N65.5Low65.1Low120 Ų120128.3 Ų128.364%0.64263%0.634SS**THydrogen-bonded Turntrans-113.624.8179.987.9-28.4000114.3G166 V170G166-N168 PolarHBondContact O-N 3.17Å; G166-N168 VanDerWaalsContact O-N 3.17Å; N168-V170 PolarHBondContact O-N 3.33Å
169W68Low65Low224 Ų224128 Ų12885%0.84864%0.637SS**  trans-55.8110.1179.7-76-12.4000111.2G166G166-W169 VanDerWaalsContact CA-CE2 3.47Å; G166-W169 PolarHBondContact O-N 2.85Å
170V58.3Low65Low91 Ų91122.4 Ų122.455%0.55263%0.63SS**  trans-83.4125.2173.4177.50000106.9N168 V172 Q175N168-V170 PolarHBondContact O-N 3.33Å; V170-V172 PolarHBondContact O-N 3.44Å; V170-Q175 HydrophobicContact CG1-CB 4.49Å
171D66.4Low64.8Low93 Ų93117.4 Ų117.450%0.49763%0.629SS.*  trans-67.998.3171.5-176.7-8000108.9I173 K174 Q175D171-I173 PolarHBondContact O-N 2.9Å; D171-I173 WeakPolarHBondContact OD1-CB 3.37Å; D171-I173 PolarHBondContact OD1-N 2.96Å; D171-I173 VanDerWaalsContact OD1-N 3.15Å; D171-K174 HydrophobicContact CB-CB 3.88Å; D171-K174 PolarHBondContact O-N 3.09Å; D171-K174 VanDerWaalsContact O-N 3.11Å; D171-K174 PolarHBondContact OD1-N 3.01Å; D171-Q175 PolarHBondContact O-N 3.48Å
172V64.6Low64.5Low97 Ų97122 Ų12259%0.58863%0.632SS**Hα-helixtrans-61-30.2-176.1179.10000111V170 Q175 L176V170-V172 PolarHBondContact O-N 3.44Å; V172-Q175 PolarHBondContact O-N 3.36Å; V172-L176 HydrophobicContact CG1-CD1 3.77Å; V172-L176 WeakPolarHBondContact O-CB 3.35Å; V172-L176 WeakPolarHBondContact O-CD1 3.33Å; V172-L176 PolarHBondContact O-N 3.45Å
173I60.6Low63.7Low135 Ų135123.7 Ų123.769%0.69265%0.646SS**Hα-helixtrans-70.3-40.6177.4-61.1-171.8000110.5D171 Q175 L176 S177D171-I173 PolarHBondContact O-N 2.9Å; D171-I173 WeakPolarHBondContact OD1-CB 3.37Å; D171-I173 PolarHBondContact OD1-N 2.96Å; D171-I173 VanDerWaalsContact OD1-N 3.15Å; I173-Q175 VanDerWaalsContact C-N 3.34Å; I173-L176 PolarHBondContact O-N 3.02Å; I173-S177 WeakPolarHBondContact O-CB 3.28Å; I173-S177 PolarHBondContact O-N 3.04Å; I173-S177 PolarHBondContact O-OG 2.84Å
174K64Low62.9Low149 Ų149125.9 Ų125.965%0.64866%0.658SS**Hα-helixtrans-69.6-30.2175.5-165178.2-175.1175.10113.1D171 S177D171-K174 HydrophobicContact CB-CB 3.88Å; D171-K174 PolarHBondContact O-N 3.09Å; D171-K174 VanDerWaalsContact O-N 3.11Å; D171-K174 PolarHBondContact OD1-N 3.01Å; K174-S177 PolarHBondContact O-OG 3.35Å
175Q64.8Low61.4Low121 Ų121134.1 Ų134.157%0.56570%0.698SS**Hα-helixtrans-70.9-46.1174.3-166.786.18.500110.9V170 D171 V172 I173 K178 T179V170-Q175 HydrophobicContact CG1-CB 4.49Å; D171-Q175 PolarHBondContact O-N 3.48Å; V172-Q175 PolarHBondContact O-N 3.36Å; I173-Q175 VanDerWaalsContact C-N 3.34Å; Q175-K178 WeakPolarHBondContact O-CB 3.49Å; Q175-K178 PolarHBondContact O-N 2.95Å; Q175-T179 PolarHBondContact O-OG1 2.74Å
176L60.2Low61.3Low109 Ų109128.3 Ų128.357%0.57169%0.685SS**Hα-helixtrans-69-36.7-179.8-85.5154.7000113.2V172 I173 K178 T179 G180V172-L176 HydrophobicContact CG1-CD1 3.77Å; V172-L176 WeakPolarHBondContact O-CB 3.35Å; V172-L176 WeakPolarHBondContact O-CD1 3.33Å; V172-L176 PolarHBondContact O-N 3.45Å; I173-L176 PolarHBondContact O-N 3.02Å; L176-K178 PolarHBondContact O-N 3.39Å; L176-T179 PolarHBondContact O-N 3.13Å; L176-T179 VanDerWaalsContact O-N 3.13Å; L176-T179 PolarHBondContact O-OG1 2.96Å; L176-G180 PolarHBondContact O-N 3.35Å
177S64.9Low61.1Low94 Ų94133.6 Ų133.666%0.65771%0.707SS**THydrogen-bonded Turntrans-63.8-20.7175.270.70000113.1I173 K174I173-S177 WeakPolarHBondContact O-CB 3.28Å; I173-S177 PolarHBondContact O-N 3.04Å; I173-S177 PolarHBondContact O-OG 2.84Å; K174-S177 PolarHBondContact O-OG 3.35Å
178K62.3Low60.5Low187 Ų187131.7 Ų131.781%0.81371%0.711SS**THydrogen-bonded Turntrans-87.4-17.1177.9-142.6177.2-174.5-170.70113.4Q175 L176Q175-K178 WeakPolarHBondContact O-CB 3.49Å; Q175-K178 PolarHBondContact O-N 2.95Å; L176-K178 PolarHBondContact O-N 3.39Å
179T61Low60.2Low106 Ų106132.4 Ų132.465%0.6572%0.715SS**THydrogen-bonded Turntrans-111.5-8.5-178.351.20000114Q175 L176 G181Q175-T179 PolarHBondContact O-OG1 2.74Å; L176-T179 PolarHBondContact O-N 3.13Å; L176-T179 VanDerWaalsContact O-N 3.13Å; L176-T179 PolarHBondContact O-OG1 2.96Å; T179-G181 PolarHBondContact O-N 2.7Å
180G61.3Low59.7Low71 Ų71126.6 Ų126.673%0.73271%0.707SS**SBendtrans-94.954.6-177.300000114.9L176L176-G180 PolarHBondContact O-N 3.35Å
181G61.5Low59.8Low73 Ų73129 Ų12975%0.75372%0.717SS**  trans-173.161.917800000114.1T179T179-G181 PolarHBondContact O-N 2.7Å
182K58Low59.3Low157 Ų157131.6 Ų131.668%0.68373%0.733SS**  trans-15690158-159.4151171.854.20110.1D184K182-D184 IonicContact NZ-OD1 3.49Å; K182-D184 PolarHBondContact NZ-OD1 3.04Å; K182-D184 IonicContact NZ-OD2 2.7Å; K182-D184 PolarHBondContact NZ-OD2 3.14Å
183D52.3Low58.9Low174 Ų174134.2 Ų134.293%0.9374%0.744SS**  trans-120.4127.3142.6-82-54.7000106.4
184D52.6Low58.8Low123 Ų123134.2 Ų134.266%0.65875%0.748SS**  trans-87.1146.6176.8-77.8-95.2000109.2K182K182-D184 IonicContact NZ-OD1 3.49Å; K182-D184 PolarHBondContact NZ-OD1 3.04Å; K182-D184 IonicContact NZ-OD2 2.7Å; K182-D184 PolarHBondContact NZ-OD2 3.14Å
185D42.8Very low58.3Low246 Ų246132.8 Ų132.8100%1.31676%0.757SS**  trans81.90176.9-133.2-112.9000118.8

Retrieved 185 of 185 residues in 47.2 ms (Link to these results)

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