YRBL_ECOLI Loading...

Uncharacterized protein YrbL

AlphaFold DB , UniProt , Accession P64610, Species ECOLI (Escherichia coli (strain K12)), Gene yrbL, Length 210 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M87.8Confident91.1Very high153 Ų15386 Ų8675%0.75446%0.462SS*.  0130.50177.9-174.7-77.800107.3E71 D73M1-E71 WeakPolarHBondContact CA-O 3.39Å; M1-D73 HydrophobicContact SD-CB 4.23Å
2I93.8Very high90.8Very high21 Ų2185.9 Ų85.911%0.10847%0.467CS..BIsolated β-bridgetrans-82.1135.5-178.7-64.8172.8000109.8L4 P22 I29 V70 E71 T72 D73I2-L4 HydrophobicContact CG2-CD2 3.61Å; I2-L4 HydrophobicContact CG2-CG 3.88Å; I2-P22 HydrophobicContact CD1-CG 4.22Å; I2-P22 HydrophobicContact CG1-CG 4.22Å; I2-P22 HydrophobicContact CG2-CG 3.73Å; I2-I29 HydrophobicContact CD1-CD1 3.68Å; I2-I29 HydrophobicContact CG2-CD1 4.1Å; I2-V70 HydrophobicContact CD1-CB 4.25Å; I2-V70 HydrophobicContact CD1-CG2 4.11Å; I2-E71 PolarHBondContact N-O 3.34Å; I2-T72 HydrophobicContact CB-CG2 4.21Å; I2-T72 CarbonylContact O-C 3.54Å; I2-T72 WeakPolarHBondContact O-CA 3.38Å; I2-T72 WeakPolarHBondContact O-CB 3.36Å; I2-D73 PolarHBondContact O-N 3.47Å
3R95.2Very high90.4Very high159 Ų15982.8 Ų82.860%0.647%0.467SS*.  trans-94.8107.5176.1-65-65.8-175.9176-0.1110.3Q7 D73R3-Q7 PolarHBondContact O-NE2 3.35Å; R3-D73 WeakPolarHBondContact CD-OD2 3.22Å; R3-D73 IonicContact NH1-OD2 3.92Å
4L94.3Very high90.1Very high0 Ų090.2 Ų90.20%048%0.484CS..  trans-111-18179.8-62-177000113.2I2 E6 Q7 Y19 I29 I31 T72 D73I2-L4 HydrophobicContact CG2-CD2 3.61Å; I2-L4 HydrophobicContact CG2-CG 3.88Å; L4-E6 PolarHBondContact O-N 3.08Å; L4-Q7 PolarHBondContact O-N 3.17Å; L4-Y19 HydrophobicContact CB-CD1 4.14Å; L4-Y19 HydrophobicContact CB-CD2 4.43Å; L4-Y19 HydrophobicContact CB-CE1 4.25Å; L4-Y19 HydrophobicContact CB-CG 4.22Å; L4-Y19 HydrophobicContact CD1-CD2 3.88Å; L4-Y19 HydrophobicContact CD1-CE2 4.5Å; L4-Y19 HydrophobicContact CD1-CG 3.99Å; L4-Y19 HydrophobicContact CD2-CD1 4.4Å; L4-Y19 HydrophobicContact CD2-CG 4.15Å; L4-Y19 HydrophobicContact CG-CG 4.35Å; L4-Y19 WeakPolarHBondContact O-CE1 3.47Å; L4-I29 HydrophobicContact CD1-CB 4.1Å; L4-I29 HydrophobicContact CD1-CD1 4.23Å; L4-I29 HydrophobicContact CD1-CG2 3.88Å; L4-I29 HydrophobicContact CD2-CD1 4.31Å; L4-I31 HydrophobicContact CD1-CD1 3.82Å; L4-I31 HydrophobicContact CD1-CG1 3.73Å; L4-T72 HydrophobicContact CD1-CG2 3.84Å; L4-T72 HydrophobicContact CG-CG2 4.41Å; L4-D73 PolarHBondContact N-OD1 2.76Å
5S91.1Very high90.1Very high76 Ų7685.3 Ų85.353%0.53146%0.456SS..THydrogen-bonded Turntrans-60.4-29.5-176.459.20000113.3D73 C74S5-D73 VanDerWaalsContact CB-OD2 3.29Å; S5-D73 WeakPolarHBondContact CB-OD2 3.46Å; S5-D73 PolarHBondContact N-OD1 2.99Å; S5-D73 PolarHBondContact N-OD2 3.48Å; S5-D73 PolarHBondContact OG-OD2 3.22Å; S5-C74 PolarHBondContact N-SG 3.42Å
6E90.7Very high90.2Very high179 Ų17981.1 Ų81.184%0.83643%0.432SS*.THydrogen-bonded Turntrans-91.4-5.2178.2-62.2176-178.100113.3L4L4-E6 PolarHBondContact O-N 3.08Å
7Q92.2Very high90.4Very high67 Ų6780.6 Ų80.631%0.31343%0.426SS..SBendtrans-93.2147.5-178.6-60.7-170.81700111.4R3 L4 Y19R3-Q7 PolarHBondContact O-NE2 3.35Å; L4-Q7 PolarHBondContact O-N 3.17Å; Q7-Y19 HydrophobicContact CB-CD1 4.06Å; Q7-Y19 HydrophobicContact CB-CE1 4.44Å; Q7-Y19 WeakPolarHBondContact O-CE1 3.25Å
8S92.5Very high90.6Very high109 Ų10977.6 Ų77.676%0.76241%0.412SS*.PPolyproline II helixtrans-76129.9168.8-69.10000109.9
9P91.5Very high90.8Very high49 Ų4974.2 Ų74.232%0.31839%0.393SS..PPolyproline II helixtrans-68.3140.5175.928.4-33.3000110.5G11 K17 C18 Y19P9-G11 PolarHBondContact O-N 3.38Å; P9-K17 HydrophobicContact CB-CB 4.29Å; P9-C18 CarbonylContact C-O 3.53Å; P9-C18 WeakPolarHBondContact CA-O 3.24Å; P9-C18 WeakPolarHBondContact CB-O 3.42Å; P9-Y19 HydrophobicContact CB-CD1 4.26Å; P9-Y19 HydrophobicContact CB-CE1 4Å
10L87.7Confident91Very high101 Ų10172.6 Ų72.653%0.52939%0.391SS..SBendtrans-58.4-31.2167.9-62.1176.1000111.6C18 A20 C28L10-C18 PolarHBondContact N-O 2.92Å; L10-A20 HydrophobicContact CD1-CB 4.21Å; L10-A20 HydrophobicContact CD2-CB 4.36Å; L10-A20 HydrophobicContact CG-CB 4.42Å; L10-C28 HydrophobicContact CD1-CB 4.2Å
11G85.2Confident91.2Very high32 Ų3270.4 Ų70.433%0.3338%0.378SS..EExtended strand (participates in β ladder)trans-170.3152.1176.400000112.4P9 C18P9-G11 PolarHBondContact O-N 3.38Å; G11-C18 PolarHBondContact N-O 3.45Å; G11-C18 PolarHBondContact O-N 3.27Å
12T88.1Confident91.5Very high85 Ų8566.4 Ų66.452%0.52136%0.363SS..EExtended strand (participates in β ladder)trans-119.3116.9176.7-59.60000109.3K17 Y33T12-K17 HydrophobicContact CG2-CG 3.98Å; T12-Y33 HydrophobicContact CG2-CE1 4.28Å
13G85.3Confident91.5Very high45 Ų4573.3 Ų73.346%0.46440%0.395SS..  trans-94.7-169171.200000111.7H15 R16 Y33G13-H15 PolarHBondContact O-N 3.26Å; G13-R16 PolarHBondContact N-O 2.92Å; G13-Y33 PolarHBondContact O-OH 3.36Å
14R86.1Confident91.4Very high187 Ų18768.4 Ų68.471%0.70638%0.381SS*.SBendtrans-63.4-42.8-176.3-173.4-178.1165.4162.71.5114Y33R14-Y33 PolarHBondContact O-OH 3.2Å
15H90.5Very high91.2Very high16 Ų1672.9 Ų72.97%0.07442%0.418CS..SBendtrans-120.9-5.3-176.9-49.9124.1000113.4G13 V32 Y33 D37 E42G13-H15 PolarHBondContact O-N 3.26Å; H15-V32 WeakPolarHBondContact O-CA 3.45Å; H15-Y33 VanDerWaalsContact C-CE1 3.49Å; H15-Y33 WeakPolarHBondContact O-CD1 3.5Å; H15-Y33 PolarHBondContact O-N 3.21Å; H15-D37 PolarHBondContact NE2-O 2.89Å; H15-E42 IonicContact CE1-OE2 2.85Å; H15-E42 IonicContact CG-OE2 2.71Å; H15-E42 IonicContact ND1-OE2 3.95Å; H15-E42 PolarHBondContact ND1-OE2 3.42Å
16R91.6Very high91.3Very high18 Ų1875.7 Ų75.77%0.06842%0.423CS..EExtended strand (participates in β ladder)trans-137141.1-168.6-63.1-172.2-76.1172.6-4.7112.7G13 I31 V32 E42 E46 D152G13-R16 PolarHBondContact N-O 2.92Å; R16-I31 CarbonylContact C-O 3.55Å; R16-I31 WeakPolarHBondContact CA-O 3.43Å; R16-V32 HydrophobicContact CG-CB 4.47Å; R16-V32 HydrophobicContact CG-CG2 3.95Å; R16-E42 IonicContact CZ-OE1 3.61Å; R16-E42 IonicContact NE-OE1 3.72Å; R16-E42 PolarHBondContact NE-OE1 2.96Å; R16-E42 IonicContact NH2-OE1 3.5Å; R16-E42 PolarHBondContact NH2-OE1 2.93Å; R16-E46 IonicContact CZ-OE1 3.15Å; R16-E46 IonicContact CZ-OE2 3.72Å; R16-E46 VanDerWaalsContact NH1-CD 3.3Å; R16-E46 IonicContact NH1-OE1 2.99Å; R16-E46 PolarHBondContact NH1-OE1 3.23Å; R16-E46 IonicContact NH1-OE2 3.17Å; R16-E46 PolarHBondContact NH1-OE2 3.39Å; R16-E46 VanDerWaalsContact NH1-OE2 3.13Å; R16-E46 IonicContact NH2-OE1 3.12Å; R16-E46 IonicContact NH2-OE2 3.09Å; R16-E46 PolarHBondContact NH2-OE2 3.2Å; R16-D152 IonicContact NH2-OD1 2.79Å
17K93.1Very high91.6Very high74 Ų7469.7 Ų69.732%0.32239%0.392SS..EExtended strand (participates in β ladder)trans-105.6138.9166.3-70.2-179-178.3-178.70108.9P9 T12 Y19 K30 I31 Y33P9-K17 HydrophobicContact CB-CB 4.29Å; T12-K17 HydrophobicContact CG2-CG 3.98Å; K17-Y19 HydrophobicContact CB-CD2 4.29Å; K17-Y19 HydrophobicContact CB-CE2 3.47Å; K17-Y19 VanDerWaalsContact CB-CE2 3.47Å; K17-Y19 HydrophobicContact CD-CE2 4.43Å; K17-Y19 VanDerWaalsContact CD-OH 3.31Å; K17-Y19 WeakPolarHBondContact CD-OH 3.47Å; K17-K30 CarbonylContact O-C 3.52Å; K17-K30 WeakPolarHBondContact O-CA 3.39Å; K17-I31 PolarHBondContact N-O 2.91Å; K17-I31 PolarHBondContact O-N 3.41Å; K17-Y33 HydrophobicContact CD-CD1 4.42Å; K17-Y33 HydrophobicContact CG-CD1 3.85Å; K17-Y33 HydrophobicContact CG-CE1 3.77Å
18C93.7Very high91.8Very high26 Ų2666.9 Ų66.918%0.17638%0.38CS..EExtended strand (participates in β ladder)trans-106.8129.2177.6-166.10000109.1P9 L10 G11 C28 K30P9-C18 CarbonylContact C-O 3.53Å; P9-C18 WeakPolarHBondContact CA-O 3.24Å; P9-C18 WeakPolarHBondContact CB-O 3.42Å; L10-C18 PolarHBondContact N-O 2.92Å; G11-C18 PolarHBondContact N-O 3.45Å; G11-C18 PolarHBondContact O-N 3.27Å; C18-C28 VanDerWaalsContact SG-CB 3.56Å; C18-C28 VanDerWaalsContact SG-SG 3.61Å; C18-K30 HydrophobicContact CB-CG 4.48Å
19Y95.6Very high92Very high13 Ų1361.7 Ų61.75%0.05134%0.343CS..EExtended strand (participates in β ladder)trans-121.3152.8179.7-62.9-93.9000110L4 Q7 P9 K17 C28 I29 I31L4-Y19 HydrophobicContact CB-CD1 4.14Å; L4-Y19 HydrophobicContact CB-CD2 4.43Å; L4-Y19 HydrophobicContact CB-CE1 4.25Å; L4-Y19 HydrophobicContact CB-CG 4.22Å; L4-Y19 HydrophobicContact CD1-CD2 3.88Å; L4-Y19 HydrophobicContact CD1-CE2 4.5Å; L4-Y19 HydrophobicContact CD1-CG 3.99Å; L4-Y19 HydrophobicContact CD2-CD1 4.4Å; L4-Y19 HydrophobicContact CD2-CG 4.15Å; L4-Y19 HydrophobicContact CG-CG 4.35Å; L4-Y19 WeakPolarHBondContact O-CE1 3.47Å; Q7-Y19 HydrophobicContact CB-CD1 4.06Å; Q7-Y19 HydrophobicContact CB-CE1 4.44Å; Q7-Y19 WeakPolarHBondContact O-CE1 3.25Å; P9-Y19 HydrophobicContact CB-CD1 4.26Å; P9-Y19 HydrophobicContact CB-CE1 4Å; K17-Y19 HydrophobicContact CB-CD2 4.29Å; K17-Y19 HydrophobicContact CB-CE2 3.47Å; K17-Y19 VanDerWaalsContact CB-CE2 3.47Å; K17-Y19 HydrophobicContact CD-CE2 4.43Å; K17-Y19 VanDerWaalsContact CD-OH 3.31Å; K17-Y19 WeakPolarHBondContact CD-OH 3.47Å; Y19-C28 CarbonylContact O-C 3.56Å; Y19-C28 WeakPolarHBondContact O-CA 3.44Å; Y19-C28 VanDerWaalsContact O-CB 3.22Å; Y19-C28 WeakPolarHBondContact O-CB 3.35Å; Y19-I29 PolarHBondContact N-O 3.12Å; Y19-I29 PolarHBondContact O-N 3.46Å; Y19-I31 HydrophobicContact CD2-CG1 3.88Å; Y19-I31 HydrophobicContact CE2-CB 4.11Å; Y19-I31 HydrophobicContact CE2-CG1 3.79Å
20A94.5Very high92.3Very high42 Ų4260.6 Ų60.635%0.34733%0.334SS..EExtended strand (participates in β ladder)trans-66.5144.2168.100000109.6L10L10-A20 HydrophobicContact CD1-CB 4.21Å; L10-A20 HydrophobicContact CD2-CB 4.36Å; L10-A20 HydrophobicContact CG-CB 4.42Å
21H95.6Very high92.6Very high26 Ų2656.1 Ų56.112%0.1231%0.311CS..EExtended strand (participates in β ladder)trans-76.2128.7170.2-168.5-77.4000108.8E23 D24 R27 I29H21-E23 VanDerWaalsContact C-N 3.27Å; H21-E23 PolarHBondContact ND1-N 2.96Å; H21-E23 PolarHBondContact O-N 3.2Å; H21-D24 HydrophobicContact CB-CB 4.46Å; H21-D24 WeakPolarHBondContact CB-O 3.43Å; H21-D24 PolarHBondContact ND1-N 3.46Å; H21-D24 PolarHBondContact O-N 3.09Å; H21-R27 HydrophobicContact CB-CB 3.69Å; H21-R27 WeakPolarHBondContact CB-O 3.2Å; H21-R27 PolarHBondContact N-O 3.4Å; H21-I29 HydrophobicContact CB-CD1 4.35Å; H21-I29 HydrophobicContact CB-CG1 4.22Å
22P93.8Very high92.9Very high70 Ų7055 Ų5546%0.45530%0.297SS..THydrogen-bonded Turntrans-67.2-28-172.427.9-37.7000113.6I2I2-P22 HydrophobicContact CD1-CG 4.22Å; I2-P22 HydrophobicContact CG1-CG 4.22Å; I2-P22 HydrophobicContact CG2-CG 3.73Å
23E93.1Very high92.8Very high166 Ų16655.2 Ų55.278%0.77629%0.289SS*.THydrogen-bonded Turntrans-106.1-6.2-175.1-61.7167.7-168.700113H21H21-E23 VanDerWaalsContact C-N 3.27Å; H21-E23 PolarHBondContact ND1-N 2.96Å; H21-E23 PolarHBondContact O-N 3.2Å
24D93.5Very high92.5Very high55 Ų5557.3 Ų57.329%0.29429%0.287SS..EExtended strand (participates in β ladder)trans-144.9102.4-176.2-172.7-18.8000110.5H21 Q26 R27H21-D24 HydrophobicContact CB-CB 4.46Å; H21-D24 WeakPolarHBondContact CB-O 3.43Å; H21-D24 PolarHBondContact ND1-N 3.46Å; H21-D24 PolarHBondContact O-N 3.09Å; D24-Q26 PolarHBondContact O-N 3.39Å; D24-Q26 VanDerWaalsContact O-N 3.09Å; D24-Q26 WeakPolarHBondContact OD1-CB 3.41Å; D24-Q26 PolarHBondContact OD1-N 3.41Å; D24-R27 HydrophobicContact CB-CB 4.09Å; D24-R27 HydrophobicContact CB-CG 3.86Å; D24-R27 PolarHBondContact O-N 3.22Å; D24-R27 WeakPolarHBondContact OD2-CG 3.3Å; D24-R27 IonicContact OD2-NE 2.68Å
25A90.3Very high91.9Very high95 Ų9553.5 Ų53.579%0.78527%0.272SS*.EExtended strand (participates in β ladder)trans-62.6-18.1-177.800000113.6R27A25-R27 VanDerWaalsContact C-N 3.3Å
26Q93.2Very high91.2Very high135 Ų13556.8 Ų56.863%0.63131%0.31SS*.EExtended strand (participates in β ladder)trans-90.87.4177.7-59.5-168.4-34.300112.8D24 V82D24-Q26 PolarHBondContact O-N 3.39Å; D24-Q26 VanDerWaalsContact O-N 3.09Å; D24-Q26 WeakPolarHBondContact OD1-CB 3.41Å; D24-Q26 PolarHBondContact OD1-N 3.41Å; Q26-V82 PolarHBondContact O-N 2.99Å
27R96.8Very high90.7Very high53 Ų5360.9 Ų60.920%0.233%0.333CS..EExtended strand (participates in β ladder)trans-128.3146-176-58.4-67.6-178.8-104.1-3.2111.8H21 D24 A25 H67 V79 Y80 D81 V82H21-R27 HydrophobicContact CB-CB 3.69Å; H21-R27 WeakPolarHBondContact CB-O 3.2Å; H21-R27 PolarHBondContact N-O 3.4Å; D24-R27 HydrophobicContact CB-CB 4.09Å; D24-R27 HydrophobicContact CB-CG 3.86Å; D24-R27 PolarHBondContact O-N 3.22Å; D24-R27 WeakPolarHBondContact OD2-CG 3.3Å; D24-R27 IonicContact OD2-NE 2.68Å; A25-R27 VanDerWaalsContact C-N 3.3Å; R27-H67 VanDerWaalsContact CD-CD2 3.42Å; R27-H67 WeakPolarHBondContact CD-CD2 3.29Å; R27-H67 VanDerWaalsContact CZ-CE1 3.42Å; R27-H67 VanDerWaalsContact CZ-NE2 3.28Å; R27-H67 PolarHBondContact NE-CD2 3.22Å; R27-H67 PolarHBondContact NE-NE2 2.81Å; R27-H67 PolarHBondContact NH2-CE1 2.91Å; R27-V79 HydrophobicContact CB-CG1 3.91Å; R27-V79 HydrophobicContact CG-CG1 4.22Å; R27-Y80 CarbonylContact C-O 3.48Å; R27-Y80 VanDerWaalsContact CA-O 3.31Å; R27-Y80 WeakPolarHBondContact CA-O 3.29Å; R27-D81 IonicContact CZ-OD1 2.77Å; R27-D81 IonicContact NH1-OD1 3.75Å; R27-D81 PolarHBondContact NH1-OD1 3.08Å; R27-V82 WeakPolarHBondContact O-CG2 3.41Å
28C96.3Very high90.2Very high7 Ų758.4 Ų58.45%0.04733%0.329CS..EExtended strand (participates in β ladder)trans-124.3154.1171.664.50000110.3L10 C18 Y19 V79 Y80 V82L10-C28 HydrophobicContact CD1-CB 4.2Å; C18-C28 VanDerWaalsContact SG-CB 3.56Å; C18-C28 VanDerWaalsContact SG-SG 3.61Å; Y19-C28 CarbonylContact O-C 3.56Å; Y19-C28 WeakPolarHBondContact O-CA 3.44Å; Y19-C28 VanDerWaalsContact O-CB 3.22Å; Y19-C28 WeakPolarHBondContact O-CB 3.35Å; C28-V79 CarbonylContact O-C 3.43Å; C28-V79 VanDerWaalsContact O-CA 3.31Å; C28-V79 WeakPolarHBondContact O-CA 3.31Å; C28-Y80 PolarHBondContact N-O 3.19Å; C28-Y80 PolarHBondContact O-N 3.39Å; C28-V82 HydrophobicContact CB-CG2 3.6Å
29I97.5Very high89.8Confident0 Ų057.2 Ų57.20%032%0.321CS..EExtended strand (participates in β ladder)trans-114117.2179.2-53.2172000107.9I2 L4 Y19 H21 I31 V70 T72 V79I2-I29 HydrophobicContact CD1-CD1 3.68Å; I2-I29 HydrophobicContact CG2-CD1 4.1Å; L4-I29 HydrophobicContact CD1-CB 4.1Å; L4-I29 HydrophobicContact CD1-CD1 4.23Å; L4-I29 HydrophobicContact CD1-CG2 3.88Å; L4-I29 HydrophobicContact CD2-CD1 4.31Å; Y19-I29 PolarHBondContact N-O 3.12Å; Y19-I29 PolarHBondContact O-N 3.46Å; H21-I29 HydrophobicContact CB-CD1 4.35Å; H21-I29 HydrophobicContact CB-CG1 4.22Å; I29-I31 HydrophobicContact CG2-CD1 3.9Å; I29-V70 HydrophobicContact CD1-CG2 4.08Å; I29-V70 HydrophobicContact CG1-CG2 4.34Å; I29-V70 HydrophobicContact CG2-CG2 4.05Å; I29-T72 HydrophobicContact CG2-CG2 4.26Å; I29-V79 HydrophobicContact CG1-CG2 4.5Å
30K95.9Very high89.4Confident26 Ų2659.6 Ų59.611%0.11334%0.335CS..EExtended strand (participates in β ladder)trans-91.6122.2172.6-63.1-175-175.91770109.7K17 C18 Y78 Y80 C151K17-K30 CarbonylContact O-C 3.52Å; K17-K30 WeakPolarHBondContact O-CA 3.39Å; C18-K30 HydrophobicContact CB-CG 4.48Å; K30-Y78 PolarHBondContact N-O 3.49Å; K30-Y78 PolarHBondContact O-N 3.03Å; K30-Y80 HydrophobicContact CB-CD2 4.4Å; K30-Y80 HydrophobicContact CB-CE2 4.16Å; K30-Y80 HydrophobicContact CD-CD2 3.76Å; K30-Y80 HydrophobicContact CD-CE2 3.74Å; K30-Y80 HydrophobicContact CG-CD2 3.91Å; K30-Y80 HydrophobicContact CG-CE2 4.07Å; K30-C151 PolarHBondContact NZ-O 2.86Å
31I95.2Very high89.1Confident8 Ų865 Ų654%0.04135%0.35CS..EExtended strand (participates in β ladder)trans-105.2130.3175-59.2-54.6000109.8L4 R16 K17 Y19 I29 T72 C74 G77L4-I31 HydrophobicContact CD1-CD1 3.82Å; L4-I31 HydrophobicContact CD1-CG1 3.73Å; R16-I31 CarbonylContact C-O 3.55Å; R16-I31 WeakPolarHBondContact CA-O 3.43Å; K17-I31 PolarHBondContact N-O 2.91Å; K17-I31 PolarHBondContact O-N 3.41Å; Y19-I31 HydrophobicContact CD2-CG1 3.88Å; Y19-I31 HydrophobicContact CE2-CB 4.11Å; Y19-I31 HydrophobicContact CE2-CG1 3.79Å; I29-I31 HydrophobicContact CG2-CD1 3.9Å; I31-T72 HydrophobicContact CD1-CG2 4.05Å; I31-T72 WeakPolarHBondContact CD1-OG1 3.38Å; I31-C74 HydrophobicContact CD1-CB 4.45Å; I31-C74 HydrophobicContact CG1-CB 4.21Å; I31-C74 HydrophobicContact CG2-CB 3.84Å; I31-C74 WeakPolarHBondContact CG2-O 3.36Å; I31-G77 VanDerWaalsContact CD1-CA 3.49Å
32V92.2Very high88.8Confident7 Ų764.8 Ų64.84%0.04235%0.35CS..EExtended strand (participates in β ladder)trans-90.9119.1175-173.30000109.8H15 R16 R35 I43 Y78H15-V32 WeakPolarHBondContact O-CA 3.45Å; R16-V32 HydrophobicContact CG-CB 4.47Å; R16-V32 HydrophobicContact CG-CG2 3.95Å; V32-R35 HydrophobicContact CB-CG 4.34Å; V32-R35 HydrophobicContact CG1-CG 3.83Å; V32-I43 HydrophobicContact CG2-CB 4.42Å; V32-Y78 HydrophobicContact CG2-CD2 4.46Å; V32-Y78 HydrophobicContact CG2-CE2 4.12Å
33Y84.5Confident88.7Confident91 Ų9161.9 Ų61.936%0.35733%0.33SS..SBendtrans-111.1-15.9-178.166.1-88.5000114.5T12 G13 R14 H15 K17T12-Y33 HydrophobicContact CG2-CE1 4.28Å; G13-Y33 PolarHBondContact O-OH 3.36Å; R14-Y33 PolarHBondContact O-OH 3.2Å; H15-Y33 VanDerWaalsContact C-CE1 3.49Å; H15-Y33 WeakPolarHBondContact O-CD1 3.5Å; H15-Y33 PolarHBondContact O-N 3.21Å; K17-Y33 HydrophobicContact CD-CD1 4.42Å; K17-Y33 HydrophobicContact CG-CD1 3.85Å; K17-Y33 HydrophobicContact CG-CE1 3.77Å
34H78.9Confident88.6Confident89 Ų8962.1 Ų62.141%0.41232%0.324SS..  trans-11362.7172.6-74.2-49.8000111.5G36 D37 G39H34-G36 PolarHBondContact O-N 2.74Å; H34-D37 HydrophobicContact CB-CB 4.42Å; H34-D37 PolarHBondContact O-N 3.49Å; H34-G39 WeakPolarHBondContact O-CA 3.17Å; H34-G39 PolarHBondContact O-N 3.28Å; H34-G39 VanDerWaalsContact O-N 3.17Å
35R73.3Confident88.5Confident106 Ų10661.6 Ų61.640%0.432%0.318SS..Iπ-helixtrans-58.8-45.6-175.1-70.7-166.1-178.5-164.4-2.5113.2V32 D37 D40V32-R35 HydrophobicContact CB-CG 4.34Å; V32-R35 HydrophobicContact CG1-CG 3.83Å; R35-D37 PolarHBondContact O-N 2.96Å; R35-D40 VanDerWaalsContact CB-OD1 3.26Å; R35-D40 WeakPolarHBondContact CB-OD1 3.46Å; R35-D40 WeakPolarHBondContact CD-OD1 3.34Å; R35-D40 VanDerWaalsContact CG-OD1 3.25Å; R35-D40 WeakPolarHBondContact CG-OD1 3.43Å; R35-D40 PolarHBondContact O-N 3.38Å
36G76.2Confident88.6Confident85 Ų8557.2 Ų57.288%0.87628%0.281SS*.Iπ-helixtrans-70.1-27.3-179.400000115.2H34 G38H34-G36 PolarHBondContact O-N 2.74Å; G36-G38 VanDerWaalsContact C-N 3.27Å; G36-G38 PolarHBondContact O-N 3.37Å
37D81.9Confident88.6Confident104 Ų10453 Ų5356%0.55626%0.263SS*.Iπ-helixtrans-93.234.5-178.2-166.131.8000112.6H15 H34 R35H15-D37 PolarHBondContact NE2-O 2.89Å; H34-D37 HydrophobicContact CB-CB 4.42Å; H34-D37 PolarHBondContact O-N 3.49Å; R35-D37 PolarHBondContact O-N 2.96Å
38G83Confident88.4Confident23 Ų2357.8 Ų57.824%0.23729%0.285CS..Iπ-helixtrans98.1-6.8175.500000116G36 D40 K41 E42G36-G38 VanDerWaalsContact C-N 3.27Å; G36-G38 PolarHBondContact O-N 3.37Å; G38-D40 VanDerWaalsContact C-N 3.3Å; G38-D40 PolarHBondContact O-N 3.34Å; G38-K41 PolarHBondContact O-N 3.04Å; G38-K41 VanDerWaalsContact O-N 3.13Å; G38-E42 PolarHBondContact O-N 3.48Å
39G84.9Confident88.3Confident0 Ų057.9 Ų57.90%028%0.284CS..Iπ-helixtrans-55.9-41.8174.300000113.1H34 K41 E42 I43H34-G39 WeakPolarHBondContact O-CA 3.17Å; H34-G39 PolarHBondContact O-N 3.28Å; H34-G39 VanDerWaalsContact O-N 3.17Å; G39-K41 VanDerWaalsContact C-N 3.34Å; G39-K41 PolarHBondContact O-N 3.33Å; G39-E42 WeakPolarHBondContact O-CB 3.41Å; G39-E42 PolarHBondContact O-N 2.98Å; G39-I43 PolarHBondContact O-N 3.28Å
40D86.9Confident88.2Confident64 Ų6458.2 Ų58.234%0.34229%0.286SS..Hα-helixtrans-67.7-34.5178.1-74.3-7.8000112.8R35 G38 I43 R44R35-D40 VanDerWaalsContact CB-OD1 3.26Å; R35-D40 WeakPolarHBondContact CB-OD1 3.46Å; R35-D40 WeakPolarHBondContact CD-OD1 3.34Å; R35-D40 VanDerWaalsContact CG-OD1 3.25Å; R35-D40 WeakPolarHBondContact CG-OD1 3.43Å; R35-D40 PolarHBondContact O-N 3.38Å; G38-D40 VanDerWaalsContact C-N 3.3Å; G38-D40 PolarHBondContact O-N 3.34Å; D40-I43 WeakPolarHBondContact O-CG2 3.14Å; D40-R44 VanDerWaalsContact O-CB 3.24Å; D40-R44 WeakPolarHBondContact O-CB 3.37Å; D40-R44 PolarHBondContact O-N 3.29Å; D40-R44 VanDerWaalsContact O-N 3.07Å
41K88.2Confident88.1Confident154 Ų15459.7 Ų59.767%0.6730%0.303SS*.Hα-helixtrans-70.1-38.9175.6-67.5177.4-177.5171.10110.7G38 G39 R45G38-K41 PolarHBondContact O-N 3.04Å; G38-K41 VanDerWaalsContact O-N 3.13Å; G39-K41 VanDerWaalsContact C-N 3.34Å; G39-K41 PolarHBondContact O-N 3.33Å; K41-R45 VanDerWaalsContact O-CB 3.31Å; K41-R45 WeakPolarHBondContact O-CB 3.47Å; K41-R45 PolarHBondContact O-N 2.88Å; K41-R45 VanDerWaalsContact O-N 3.1Å
42E89.4Confident88Confident23 Ų2361.5 Ų61.511%0.10731%0.311CS..Hα-helixtrans-62-52.6175.8174.8173.5161.100111.5H15 R16 G38 G39 R44 R45 E46H15-E42 IonicContact CE1-OE2 2.85Å; H15-E42 IonicContact CG-OE2 2.71Å; H15-E42 IonicContact ND1-OE2 3.95Å; H15-E42 PolarHBondContact ND1-OE2 3.42Å; R16-E42 IonicContact CZ-OE1 3.61Å; R16-E42 IonicContact NE-OE1 3.72Å; R16-E42 PolarHBondContact NE-OE1 2.96Å; R16-E42 IonicContact NH2-OE1 3.5Å; R16-E42 PolarHBondContact NH2-OE1 2.93Å; G38-E42 PolarHBondContact O-N 3.48Å; G39-E42 WeakPolarHBondContact O-CB 3.41Å; G39-E42 PolarHBondContact O-N 2.98Å; E42-R44 PolarHBondContact O-N 3.43Å; E42-R45 PolarHBondContact O-N 3.35Å; E42-E46 WeakPolarHBondContact O-CB 3.46Å; E42-E46 PolarHBondContact O-N 3.35Å
43I91Very high88Confident9 Ų961.1 Ų61.15%0.04631%0.309CS..Hα-helixtrans-65.7-41.6-178.7-168.759.4000111.9V32 G39 D40 R45 E46 L47 Y78V32-I43 HydrophobicContact CG2-CB 4.42Å; G39-I43 PolarHBondContact O-N 3.28Å; D40-I43 WeakPolarHBondContact O-CG2 3.14Å; I43-R45 VanDerWaalsContact C-N 3.32Å; I43-R45 PolarHBondContact O-N 3.23Å; I43-E46 PolarHBondContact O-N 3.32Å; I43-L47 HydrophobicContact CD1-CD1 4.25Å; I43-L47 HydrophobicContact CD1-CD2 4.25Å; I43-L47 HydrophobicContact CD1-CG 3.96Å; I43-L47 HydrophobicContact CG1-CD1 3.93Å; I43-L47 HydrophobicContact CG1-CG 4.08Å; I43-L47 WeakPolarHBondContact O-CB 3.25Å; I43-L47 VanDerWaalsContact O-CG 3.28Å; I43-L47 WeakPolarHBondContact O-CG 3.46Å; I43-L47 PolarHBondContact O-N 3.12Å; I43-Y78 HydrophobicContact CD1-CD1 3.73Å; I43-Y78 HydrophobicContact CD1-CD2 3.78Å; I43-Y78 HydrophobicContact CD1-CE1 3.93Å; I43-Y78 HydrophobicContact CD1-CE2 3.95Å; I43-Y78 HydrophobicContact CD1-CG 3.67Å; I43-Y78 HydrophobicContact CG1-CD1 4.04Å; I43-Y78 HydrophobicContact CG1-CD2 4.04Å; I43-Y78 HydrophobicContact CG1-CE1 3.68Å; I43-Y78 HydrophobicContact CG1-CE2 3.66Å; I43-Y78 HydrophobicContact CG1-CG 4.22Å; I43-Y78 VanDerWaalsContact CG1-CZ 3.46Å
44R90.7Very high88.5Confident171 Ų17159.5 Ų59.565%0.64532%0.319SS*.Hα-helixtrans-59.9-42.9177.1-173.6-175-57.91514.7111.9D40 E42 K48D40-R44 VanDerWaalsContact O-CB 3.24Å; D40-R44 WeakPolarHBondContact O-CB 3.37Å; D40-R44 PolarHBondContact O-N 3.29Å; D40-R44 VanDerWaalsContact O-N 3.07Å; E42-R44 PolarHBondContact O-N 3.43Å; R44-K48 VanDerWaalsContact O-CB 3.27Å; R44-K48 WeakPolarHBondContact O-CB 3.36Å; R44-K48 PolarHBondContact O-N 3.28Å
45R91.8Very high89.2Confident44 Ų4465.5 Ų65.517%0.16634%0.338CS..Hα-helixtrans-64-48.5176.8176.1-171.363.1-118.28.1110.9K41 E42 I43 K48 Y49 M129 E156K41-R45 VanDerWaalsContact O-CB 3.31Å; K41-R45 WeakPolarHBondContact O-CB 3.47Å; K41-R45 PolarHBondContact O-N 2.88Å; K41-R45 VanDerWaalsContact O-N 3.1Å; E42-R45 PolarHBondContact O-N 3.35Å; I43-R45 VanDerWaalsContact C-N 3.32Å; I43-R45 PolarHBondContact O-N 3.23Å; R45-K48 PolarHBondContact O-N 3.36Å; R45-Y49 WeakPolarHBondContact O-CB 3.43Å; R45-Y49 PolarHBondContact O-N 3.34Å; R45-M129 VanDerWaalsContact CD-SD 3.52Å; R45-M129 PolarHBondContact NE-SD 2.58Å; R45-M129 PolarHBondContact NH2-SD 3.29Å; R45-M129 VanDerWaalsContact NH2-SD 3.44Å; R45-E156 WeakPolarHBondContact CG-O 3.45Å
46E92.5Very high90.1Very high3 Ų364.9 Ų64.91%0.01434%0.336CS..Hα-helixtrans-59.7-53.5-178.7-170.117494.100110.2R16 E42 I43 K48 Y49 Y50 Y80R16-E46 IonicContact CZ-OE1 3.15Å; R16-E46 IonicContact CZ-OE2 3.72Å; R16-E46 VanDerWaalsContact NH1-CD 3.3Å; R16-E46 IonicContact NH1-OE1 2.99Å; R16-E46 PolarHBondContact NH1-OE1 3.23Å; R16-E46 IonicContact NH1-OE2 3.17Å; R16-E46 PolarHBondContact NH1-OE2 3.39Å; R16-E46 VanDerWaalsContact NH1-OE2 3.13Å; R16-E46 IonicContact NH2-OE1 3.12Å; R16-E46 IonicContact NH2-OE2 3.09Å; R16-E46 PolarHBondContact NH2-OE2 3.2Å; E42-E46 WeakPolarHBondContact O-CB 3.46Å; E42-E46 PolarHBondContact O-N 3.35Å; I43-E46 PolarHBondContact O-N 3.32Å; E46-K48 PolarHBondContact O-N 3.46Å; E46-Y49 CarbonylContact O-C 3.57Å; E46-Y49 WeakPolarHBondContact O-CA 3.48Å; E46-Y49 WeakPolarHBondContact O-CB 3.45Å; E46-Y49 PolarHBondContact O-N 3.24Å; E46-Y50 HydrophobicContact CG-CD2 3.7Å; E46-Y50 HydrophobicContact CG-CE2 3.53Å; E46-Y50 VanDerWaalsContact O-CD2 3.32Å; E46-Y50 WeakPolarHBondContact O-CD2 3.2Å; E46-Y50 PolarHBondContact O-N 3.48Å; E46-Y80 PolarHBondContact OE1-OH 3.44Å
47L93.9Very high91Very high46 Ų4661.4 Ų61.424%0.24130%0.297CS..Hα-helixtrans-60.3-41.1179-65-179.6000113.1I43 Y49 Y50 A51 Y66 Y78I43-L47 HydrophobicContact CD1-CD1 4.25Å; I43-L47 HydrophobicContact CD1-CD2 4.25Å; I43-L47 HydrophobicContact CD1-CG 3.96Å; I43-L47 HydrophobicContact CG1-CD1 3.93Å; I43-L47 HydrophobicContact CG1-CG 4.08Å; I43-L47 WeakPolarHBondContact O-CB 3.25Å; I43-L47 VanDerWaalsContact O-CG 3.28Å; I43-L47 WeakPolarHBondContact O-CG 3.46Å; I43-L47 PolarHBondContact O-N 3.12Å; L47-Y49 PolarHBondContact O-N 2.99Å; L47-Y50 PolarHBondContact O-N 3.16Å; L47-A51 WeakPolarHBondContact O-CB 3.44Å; L47-A51 PolarHBondContact O-N 2.97Å; L47-Y66 HydrophobicContact CD2-CD1 4.09Å; L47-Y66 HydrophobicContact CD2-CD2 4.22Å; L47-Y66 HydrophobicContact CD2-CE1 3.56Å; L47-Y66 HydrophobicContact CD2-CE2 3.72Å; L47-Y66 HydrophobicContact CD2-CG 4.38Å; L47-Y78 HydrophobicContact CD1-CD1 4.12Å; L47-Y78 HydrophobicContact CD1-CE1 3.69Å; L47-Y78 HydrophobicContact CD2-CD1 4.16Å
48K92.9Very high91.7Very high153 Ų15366 Ų6667%0.66531%0.312SS*.Hα-helixtrans-58.8-39.5173.7179.7177.4179.3179.50111.2R44 R45 E46 H52R44-K48 VanDerWaalsContact O-CB 3.27Å; R44-K48 WeakPolarHBondContact O-CB 3.36Å; R44-K48 PolarHBondContact O-N 3.28Å; R45-K48 PolarHBondContact O-N 3.36Å; E46-K48 PolarHBondContact O-N 3.46Å; K48-H52 PolarHBondContact O-N 2.94Å; K48-H52 VanDerWaalsContact O-N 3.09Å
49Y94.2Very high92.4Very high9 Ų968 Ų684%0.03532%0.318CS..Hα-helixtrans-73.9-40.9179.1-167.1-105.2000112.6R45 E46 L47 A51 H52 L53 V127 I154 G155 T164R45-Y49 WeakPolarHBondContact O-CB 3.43Å; R45-Y49 PolarHBondContact O-N 3.34Å; E46-Y49 CarbonylContact O-C 3.57Å; E46-Y49 WeakPolarHBondContact O-CA 3.48Å; E46-Y49 WeakPolarHBondContact O-CB 3.45Å; E46-Y49 PolarHBondContact O-N 3.24Å; L47-Y49 PolarHBondContact O-N 2.99Å; Y49-A51 VanDerWaalsContact C-N 3.31Å; Y49-A51 PolarHBondContact O-N 3.42Å; Y49-H52 WeakPolarHBondContact O-CA 3.47Å; Y49-H52 WeakPolarHBondContact O-CB 3.2Å; Y49-H52 PolarHBondContact O-N 3.1Å; Y49-H52 VanDerWaalsContact O-N 3.09Å; Y49-L53 HydrophobicContact CD1-CD1 3.79Å; Y49-L53 HydrophobicContact CD1-CG 3.96Å; Y49-L53 HydrophobicContact CE1-CD1 3.5Å; Y49-L53 VanDerWaalsContact CE1-CD1 3.5Å; Y49-L53 HydrophobicContact CE1-CD2 3.93Å; Y49-L53 HydrophobicContact CE1-CG 3.67Å; Y49-L53 WeakPolarHBondContact O-CG 3.45Å; Y49-L53 PolarHBondContact O-N 3.15Å; Y49-V127 HydrophobicContact CE2-CB 4.05Å; Y49-V127 HydrophobicContact CE2-CG2 4.43Å; Y49-V127 PolarHBondContact OH-N 3.45Å; Y49-I154 HydrophobicContact CD1-CG2 3.41Å; Y49-I154 VanDerWaalsContact CD1-CG2 3.41Å; Y49-I154 HydrophobicContact CE1-CG2 3.37Å; Y49-G155 VanDerWaalsContact CG-CA 3.4Å; Y49-T164 HydrophobicContact CD2-CG2 4.41Å; Y49-T164 HydrophobicContact CE2-CG2 4.08Å
50Y95.2Very high92.9Very high8 Ų870.4 Ų70.43%0.03133%0.327CS..Hα-helixtrans-59.8-40.9171.6-86.8-85.9000111.9E46 L47 H52 L53 G54 W60 I63 P64 Y66 Y80E46-Y50 HydrophobicContact CG-CD2 3.7Å; E46-Y50 HydrophobicContact CG-CE2 3.53Å; E46-Y50 VanDerWaalsContact O-CD2 3.32Å; E46-Y50 WeakPolarHBondContact O-CD2 3.2Å; E46-Y50 PolarHBondContact O-N 3.48Å; L47-Y50 PolarHBondContact O-N 3.16Å; Y50-H52 VanDerWaalsContact C-N 3.3Å; Y50-H52 PolarHBondContact O-N 3.13Å; Y50-L53 PolarHBondContact O-N 2.99Å; Y50-G54 PolarHBondContact O-N 2.97Å; Y50-W60 AromaticContact CD1-CH2 3.89Å; Y50-W60 HydrophobicContact CD1-CH2 3.89Å; Y50-W60 AromaticContact CD1-CZ3 3.7Å; Y50-W60 HydrophobicContact CD1-CZ3 3.7Å; Y50-W60 HydrophobicContact CE1-CH2 4.28Å; Y50-W60 AromaticContact CE1-CZ3 3.61Å; Y50-W60 HydrophobicContact CE1-CZ3 3.61Å; Y50-I63 HydrophobicContact CE1-CG2 4.21Å; Y50-I63 WeakPolarHBondContact OH-CG2 3.36Å; Y50-P64 WeakPolarHBondContact CE1-O 3.47Å; Y50-P64 PolarHBondContact OH-O 3.16Å; Y50-Y66 VanDerWaalsContact CD1-CB 3.43Å; Y50-Y80 HydrophobicContact CD2-CE1 4.43Å; Y50-Y80 HydrophobicContact CE1-CE1 4.48Å; Y50-Y80 AromaticContact CE2-CE1 3.85Å; Y50-Y80 HydrophobicContact CE2-CE1 3.85Å; Y50-Y80 AromaticContact CZ-CE1 3.87Å
51A93.8Very high93.4Very high57 Ų5769.6 Ų69.647%0.47133%0.326SS..Hα-helixtrans-62.9-35.8173.700000112.5L47 Y49L47-A51 WeakPolarHBondContact O-CB 3.44Å; L47-A51 PolarHBondContact O-N 2.97Å; Y49-A51 VanDerWaalsContact C-N 3.31Å; Y49-A51 PolarHBondContact O-N 3.42Å
52H92.2Very high93.8Very high45 Ų4562.3 Ų62.321%0.20830%0.295CS..Hα-helixtrans-67.2-45.9172.2171.382.3000111.9K48 Y49 Y50 R55 R56 T164K48-H52 PolarHBondContact O-N 2.94Å; K48-H52 VanDerWaalsContact O-N 3.09Å; Y49-H52 WeakPolarHBondContact O-CA 3.47Å; Y49-H52 WeakPolarHBondContact O-CB 3.2Å; Y49-H52 PolarHBondContact O-N 3.1Å; Y49-H52 VanDerWaalsContact O-N 3.09Å; Y50-H52 VanDerWaalsContact C-N 3.3Å; Y50-H52 PolarHBondContact O-N 3.13Å; H52-R55 PolarHBondContact O-N 3.16Å; H52-R56 PolarHBondContact NE2-NE 3.12Å; H52-R56 VanDerWaalsContact NE2-NE 3.19Å; H52-T164 WeakPolarHBondContact NE2-CG2 3.24Å
53L93.8Very high94.2Very high0 Ų061.3 Ų61.30%029%0.29CS..Hα-helixtrans-63-43178-71.8-178.3000111.8Y49 Y50 R55 R56 L57 W60 I63 I126Y49-L53 HydrophobicContact CD1-CD1 3.79Å; Y49-L53 HydrophobicContact CD1-CG 3.96Å; Y49-L53 HydrophobicContact CE1-CD1 3.5Å; Y49-L53 VanDerWaalsContact CE1-CD1 3.5Å; Y49-L53 HydrophobicContact CE1-CD2 3.93Å; Y49-L53 HydrophobicContact CE1-CG 3.67Å; Y49-L53 WeakPolarHBondContact O-CG 3.45Å; Y49-L53 PolarHBondContact O-N 3.15Å; Y50-L53 PolarHBondContact O-N 2.99Å; L53-R55 PolarHBondContact O-N 2.68Å; L53-R56 PolarHBondContact O-N 2.83Å; L53-L57 HydrophobicContact CB-CB 4.13Å; L53-L57 HydrophobicContact CB-CD2 4.26Å; L53-L57 HydrophobicContact CD1-CD2 4.01Å; L53-L57 HydrophobicContact CD2-CB 4.41Å; L53-L57 HydrophobicContact CD2-CD2 4.25Å; L53-L57 HydrophobicContact CG-CD2 4.41Å; L53-L57 VanDerWaalsContact O-CB 3.32Å; L53-L57 WeakPolarHBondContact O-CB 3.43Å; L53-L57 PolarHBondContact O-N 3.02Å; L53-W60 HydrophobicContact CB-CH2 3.82Å; L53-W60 HydrophobicContact CB-CZ2 4.33Å; L53-W60 HydrophobicContact CD1-CH2 4.32Å; L53-W60 HydrophobicContact CD1-CZ3 4.3Å; L53-I63 HydrophobicContact CD1-CD1 4.27Å; L53-I126 HydrophobicContact CD1-CD1 4.49Å; L53-I126 HydrophobicContact CD2-CD1 3.95Å
54G93.8Very high94.4Very high56 Ų5661 Ų6158%0.57729%0.289SS*.THydrogen-bonded Turntrans-57.6-19-178.800000114.6Y50Y50-G54 PolarHBondContact O-N 2.97Å
55R92.9Very high94.7Very high215 Ų21559.1 Ų59.181%0.81128%0.281SS*.THydrogen-bonded Turntrans-79.6-16.5175.2-63.2174.6-174.1-176.5-1.2114H52 L53H52-R55 PolarHBondContact O-N 3.16Å; L53-R55 PolarHBondContact O-N 2.68Å
56R92.8Very high94.9Very high94 Ų9459.7 Ų59.736%0.35528%0.284SS..THydrogen-bonded Turntrans-146.1-25-169.367.7173.1-174.380.2-4116.3H52 L53 K58 N124 R125H52-R56 PolarHBondContact NE2-NE 3.12Å; H52-R56 VanDerWaalsContact NE2-NE 3.19Å; L53-R56 PolarHBondContact O-N 2.83Å; R56-K58 PolarHBondContact O-N 3.11Å; R56-N124 PolarHBondContact NH1-O 3.42Å; R56-N124 PolarHBondContact NH2-O 3.07Å; R56-R125 PolarHBondContact NH2-O 3.43Å; R56-R125 VanDerWaalsContact NH2-O 3.12Å
57L96Very high95.1Very high11 Ų1163 Ų636%0.05830%0.299CS..  trans-78.8117.1-173.6-173.365.6000109.2L53 D59 W60 N124 I126L53-L57 HydrophobicContact CB-CB 4.13Å; L53-L57 HydrophobicContact CB-CD2 4.26Å; L53-L57 HydrophobicContact CD1-CD2 4.01Å; L53-L57 HydrophobicContact CD2-CB 4.41Å; L53-L57 HydrophobicContact CD2-CD2 4.25Å; L53-L57 HydrophobicContact CG-CD2 4.41Å; L53-L57 VanDerWaalsContact O-CB 3.32Å; L53-L57 WeakPolarHBondContact O-CB 3.43Å; L53-L57 PolarHBondContact O-N 3.02Å; L57-D59 VanDerWaalsContact CD1-O 3.27Å; L57-D59 WeakPolarHBondContact CD1-O 3.29Å; L57-D59 VanDerWaalsContact CG-O 3.29Å; L57-D59 WeakPolarHBondContact CG-O 3.4Å; L57-W60 HydrophobicContact CB-CZ2 4.13Å; L57-W60 HydrophobicContact CD2-CD2 3.76Å; L57-W60 HydrophobicContact CD2-CE3 3.8Å; L57-W60 HydrophobicContact CD2-CG 4.36Å; L57-W60 HydrophobicContact CD2-CH2 4.03Å; L57-W60 HydrophobicContact CD2-CZ2 3.98Å; L57-W60 HydrophobicContact CD2-CZ3 3.92Å; L57-W60 HydrophobicContact CG-CD2 4.36Å; L57-W60 HydrophobicContact CG-CZ2 4.41Å; L57-W60 PolarHBondContact O-NE1 3.4Å; L57-W60 VanDerWaalsContact O-NE1 3.16Å; L57-N124 HydrophobicContact CD1-CB 3.68Å; L57-N124 WeakPolarHBondContact CD1-OD1 3.49Å; L57-I126 HydrophobicContact CD1-CD1 4.21Å; L57-I126 HydrophobicContact CD2-CD1 4.29Å
58K95.7Very high95.3Very high200 Ų20061.8 Ų61.887%0.8730%0.299SS*.  trans-94.7-40178.7-62.8-176.5178.9-175.90111.8R56R56-K58 PolarHBondContact O-N 3.11Å
59D96.9Very high95.5Very high67 Ų6758.3 Ų58.336%0.35829%0.29SS..  trans-96.8113.6180176.415.2000109.7L57 S61 Y120L57-D59 VanDerWaalsContact CD1-O 3.27Å; L57-D59 WeakPolarHBondContact CD1-O 3.29Å; L57-D59 VanDerWaalsContact CG-O 3.29Å; L57-D59 WeakPolarHBondContact CG-O 3.4Å; D59-S61 VanDerWaalsContact CG-OG 3.31Å; D59-S61 WeakPolarHBondContact OD1-CB 3.35Å; D59-S61 PolarHBondContact OD1-N 3.15Å; D59-S61 PolarHBondContact OD1-OG 3.36Å; D59-S61 PolarHBondContact OD2-OG 3.02Å; D59-Y120 HydrophobicContact CB-CE2 4.49Å; D59-Y120 PolarHBondContact O-OH 3.3Å; D59-Y120 WeakPolarHBondContact OD2-CE2 3.42Å
60W97.1Very high95.7Very high50 Ų5059.6 Ų59.619%0.18930%0.299CS..  trans-102.87.2177.3-69.284.2000112.2Y50 L53 L57 G62 I63 R65Y50-W60 AromaticContact CD1-CH2 3.89Å; Y50-W60 HydrophobicContact CD1-CH2 3.89Å; Y50-W60 AromaticContact CD1-CZ3 3.7Å; Y50-W60 HydrophobicContact CD1-CZ3 3.7Å; Y50-W60 HydrophobicContact CE1-CH2 4.28Å; Y50-W60 AromaticContact CE1-CZ3 3.61Å; Y50-W60 HydrophobicContact CE1-CZ3 3.61Å; L53-W60 HydrophobicContact CB-CH2 3.82Å; L53-W60 HydrophobicContact CB-CZ2 4.33Å; L53-W60 HydrophobicContact CD1-CH2 4.32Å; L53-W60 HydrophobicContact CD1-CZ3 4.3Å; L57-W60 HydrophobicContact CB-CZ2 4.13Å; L57-W60 HydrophobicContact CD2-CD2 3.76Å; L57-W60 HydrophobicContact CD2-CE3 3.8Å; L57-W60 HydrophobicContact CD2-CG 4.36Å; L57-W60 HydrophobicContact CD2-CH2 4.03Å; L57-W60 HydrophobicContact CD2-CZ2 3.98Å; L57-W60 HydrophobicContact CD2-CZ3 3.92Å; L57-W60 HydrophobicContact CG-CD2 4.36Å; L57-W60 HydrophobicContact CG-CZ2 4.41Å; L57-W60 PolarHBondContact O-NE1 3.4Å; L57-W60 VanDerWaalsContact O-NE1 3.16Å; W60-G62 PolarHBondContact O-N 2.98Å; W60-G62 VanDerWaalsContact O-N 3.1Å; W60-I63 HydrophobicContact CE3-CG2 4.5Å; W60-I63 HydrophobicContact CZ3-CG2 4.47Å; W60-I63 CarbonylContact O-C 3.34Å; W60-I63 PolarHBondContact O-N 3.35Å; W60-I63 VanDerWaalsContact O-N 3.12Å; W60-R65 HydrophobicContact CD2-CB 4.31Å; W60-R65 HydrophobicContact CD2-CG 4.29Å; W60-R65 HydrophobicContact CE3-CB 4.15Å; W60-R65 HydrophobicContact CE3-CG 4.36Å
61S96.1Very high95.8Very high47 Ų4764.4 Ų64.433%0.32932%0.322SS..THydrogen-bonded Turntrans-58-30.6-174.259.40000113.8D59 V149D59-S61 VanDerWaalsContact CG-OG 3.31Å; D59-S61 WeakPolarHBondContact OD1-CB 3.35Å; D59-S61 PolarHBondContact OD1-N 3.15Å; D59-S61 PolarHBondContact OD1-OG 3.36Å; D59-S61 PolarHBondContact OD2-OG 3.02Å; S61-V149 WeakPolarHBondContact O-CG2 3.15Å
62G97.3Very high95.9Very high1 Ų161.9 Ų61.91%0.0130%0.3CS..THydrogen-bonded Turntrans-99.45.3-179.300000115.6W60 Y120 V150W60-G62 PolarHBondContact O-N 2.98Å; W60-G62 VanDerWaalsContact O-N 3.1Å; G62-Y120 VanDerWaalsContact CA-CE1 3.47Å; G62-Y120 VanDerWaalsContact N-CE2 3.33Å; G62-Y120 PolarHBondContact N-OH 3.12Å; G62-V150 PolarHBondContact O-N 3.36Å
63I97.2Very high96.1Very high1 Ų161.6 Ų61.61%0.00530%0.3CS..SBendtrans-147.4132177.3-63.9173.9000110.4Y50 L53 W60 R65 Y120 I126 I154Y50-I63 HydrophobicContact CE1-CG2 4.21Å; Y50-I63 WeakPolarHBondContact OH-CG2 3.36Å; L53-I63 HydrophobicContact CD1-CD1 4.27Å; W60-I63 HydrophobicContact CE3-CG2 4.5Å; W60-I63 HydrophobicContact CZ3-CG2 4.47Å; W60-I63 CarbonylContact O-C 3.34Å; W60-I63 PolarHBondContact O-N 3.35Å; W60-I63 VanDerWaalsContact O-N 3.12Å; I63-R65 PolarHBondContact O-N 2.85Å; I63-Y120 HydrophobicContact CD1-CE1 4.36Å; I63-Y120 HydrophobicContact CG1-CE1 4.09Å; I63-I126 HydrophobicContact CD1-CB 4.32Å; I63-I126 HydrophobicContact CD1-CD1 3.55Å; I63-I126 HydrophobicContact CD1-CG1 3.82Å; I63-I126 HydrophobicContact CD1-CG2 3.54Å; I63-I154 HydrophobicContact CB-CD1 4.3Å; I63-I154 HydrophobicContact CD1-CD1 4.23Å; I63-I154 HydrophobicContact CD1-CG2 4.41Å; I63-I154 HydrophobicContact CG1-CD1 4.08Å; I63-I154 HydrophobicContact CG2-CD1 3.38Å
64P96.5Very high96.1Very high4 Ų463.7 Ų63.73%0.02631%0.314CS..PPolyproline II helixtrans-58.8128.9176.2-19.530.9000111.4Y50 D81 I83 V149 V150 C151Y50-P64 WeakPolarHBondContact CE1-O 3.47Å; Y50-P64 PolarHBondContact OH-O 3.16Å; P64-D81 HydrophobicContact CB-CB 4.12Å; P64-I83 HydrophobicContact CB-CD1 4.34Å; P64-I83 HydrophobicContact CG-CD1 4.08Å; P64-I83 HydrophobicContact CG-CG1 4.04Å; P64-V149 HydrophobicContact CG-CG1 4.18Å; P64-V150 WeakPolarHBondContact CD-O 3.17Å; P64-C151 HydrophobicContact CG-CB 4.41Å
65R96.6Very high96Very high130 Ų13062.3 Ų62.349%0.49130%0.3SS..PPolyproline II helixtrans-69.1144.6175.7-172.2172.1177.2174.30.2110.6W60 I63 H67 Y80 D81W60-R65 HydrophobicContact CD2-CB 4.31Å; W60-R65 HydrophobicContact CD2-CG 4.29Å; W60-R65 HydrophobicContact CE3-CB 4.15Å; W60-R65 HydrophobicContact CE3-CG 4.36Å; I63-R65 PolarHBondContact O-N 2.85Å; R65-H67 PolarHBondContact O-CD2 3.48Å; R65-Y80 CarbonylContact O-C 3.56Å; R65-Y80 WeakPolarHBondContact O-CA 3.49Å; R65-D81 WeakPolarHBondContact CA-OD2 3.41Å; R65-D81 WeakPolarHBondContact CB-OD2 3.47Å; R65-D81 PolarHBondContact N-OD2 3.42Å; R65-D81 PolarHBondContact O-N 3.18Å
66Y96.4Very high96.1Very high57 Ų5753.7 Ų53.722%0.22427%0.272CS..EExtended strand (participates in β ladder)trans-92.8132.2171.8174.1-115.9000110.7L47 Y50 G68 T69 Y78 V79 Y80L47-Y66 HydrophobicContact CD2-CD1 4.09Å; L47-Y66 HydrophobicContact CD2-CD2 4.22Å; L47-Y66 HydrophobicContact CD2-CE1 3.56Å; L47-Y66 HydrophobicContact CD2-CE2 3.72Å; L47-Y66 HydrophobicContact CD2-CG 4.38Å; Y50-Y66 VanDerWaalsContact CD1-CB 3.43Å; Y66-G68 WeakPolarHBondContact CE2-O 3.48Å; Y66-G68 VanDerWaalsContact CZ-C 3.49Å; Y66-G68 WeakPolarHBondContact OH-CA 3.22Å; Y66-G68 PolarHBondContact OH-O 2.79Å; Y66-T69 VanDerWaalsContact OH-CG2 3.28Å; Y66-T69 WeakPolarHBondContact OH-CG2 3.45Å; Y66-Y78 HydrophobicContact CE2-CD1 4.17Å; Y66-V79 VanDerWaalsContact CD2-O 3.27Å; Y66-V79 WeakPolarHBondContact CD2-O 3.46Å; Y66-Y80 HydrophobicContact CD2-CD1 4.09Å; Y66-Y80 AromaticContact CD2-CE1 3.6Å; Y66-Y80 HydrophobicContact CD2-CE1 3.6Å; Y66-Y80 HydrophobicContact CD2-CE2 4.14Å; Y66-Y80 AromaticContact CD2-CZ 3.6Å; Y66-Y80 HydrophobicContact CG-CE1 4.1Å
67H96.7Very high96.3Very high71 Ų7149.2 Ų49.233%0.32926%0.255SS..EExtended strand (participates in β ladder)trans-116.110.6-172.7-62.2-78.4000114.2R27 R65 V79 D81R27-H67 VanDerWaalsContact CD-CD2 3.42Å; R27-H67 WeakPolarHBondContact CD-CD2 3.29Å; R27-H67 VanDerWaalsContact CZ-CE1 3.42Å; R27-H67 VanDerWaalsContact CZ-NE2 3.28Å; R27-H67 PolarHBondContact NE-CD2 3.22Å; R27-H67 PolarHBondContact NE-NE2 2.81Å; R27-H67 PolarHBondContact NH2-CE1 2.91Å; R65-H67 PolarHBondContact O-CD2 3.48Å; H67-V79 HydrophobicContact CB-CB 4.11Å; H67-V79 HydrophobicContact CB-CG1 4.02Å; H67-V79 PolarHBondContact N-O 2.88Å; H67-D81 IonicContact CD2-OD1 3.13Å; H67-D81 IonicContact CE1-OD1 3.79Å; H67-D81 IonicContact NE2-OD1 3.43Å; H67-D81 PolarHBondContact NE2-OD1 2.91Å
68G97Very high96.4Very high22 Ų2250.1 Ų50.123%0.22726%0.257CS..EExtended strand (participates in β ladder)trans102.9-159.7178.500000113.3Y66 V79Y66-G68 WeakPolarHBondContact CE2-O 3.48Å; Y66-G68 VanDerWaalsContact CZ-C 3.49Å; Y66-G68 WeakPolarHBondContact OH-CA 3.22Å; Y66-G68 PolarHBondContact OH-O 2.79Å; G68-V79 PolarHBondContact O-N 3.2Å
69T97.5Very high96.5Very high79 Ų7941 Ų4149%0.48522%0.219SC..EExtended strand (participates in β ladder)trans-118.3150.9-175.8550000112Y66 T76 G77 Y78Y66-T69 VanDerWaalsContact OH-CG2 3.28Å; Y66-T69 WeakPolarHBondContact OH-CG2 3.45Å; T69-T76 HydrophobicContact CG2-CG2 3.88Å; T69-G77 CarbonylContact C-O 3.54Å; T69-G77 WeakPolarHBondContact CA-O 3.31Å; T69-Y78 HydrophobicContact CG2-CD1 3.62Å; T69-Y78 HydrophobicContact CG2-CE1 3.62Å
70V97.6Very high96.5Very high36 Ų3637.9 Ų37.922%0.21820%0.202CC..EExtended strand (participates in β ladder)trans-130.6149172.8-67.80000110.1I2 I29 T72 G77 V79I2-V70 HydrophobicContact CD1-CB 4.25Å; I2-V70 HydrophobicContact CD1-CG2 4.11Å; I29-V70 HydrophobicContact CD1-CG2 4.08Å; I29-V70 HydrophobicContact CG1-CG2 4.34Å; I29-V70 HydrophobicContact CG2-CG2 4.05Å; V70-T72 HydrophobicContact CG2-CG2 4.03Å; V70-G77 PolarHBondContact N-O 3.25Å; V70-G77 PolarHBondContact O-N 3.34Å; V70-V79 HydrophobicContact CB-CG2 4.36Å; V70-V79 HydrophobicContact CG1-CG2 3.75Å; V70-V79 HydrophobicContact CG2-CG2 3.77Å
71E97.3Very high96.5Very high110 Ų11037.1 Ų37.151%0.51420%0.202SC..EExtended strand (participates in β ladder)trans-83.7125.1173.6-70.1-58.1139.600110.4M1 I2M1-E71 WeakPolarHBondContact CA-O 3.39Å; I2-E71 PolarHBondContact N-O 3.34Å
72T96.8Very high96.4Very high4 Ų436.8 Ų36.83%0.02520%0.197CC..EExtended strand (participates in β ladder)trans-125.6162.2178.784.90000110.5I2 L4 I29 I31 V70 C74 G75I2-T72 HydrophobicContact CB-CG2 4.21Å; I2-T72 CarbonylContact O-C 3.54Å; I2-T72 WeakPolarHBondContact O-CA 3.38Å; I2-T72 WeakPolarHBondContact O-CB 3.36Å; L4-T72 HydrophobicContact CD1-CG2 3.84Å; L4-T72 HydrophobicContact CG-CG2 4.41Å; I29-T72 HydrophobicContact CG2-CG2 4.26Å; I31-T72 HydrophobicContact CD1-CG2 4.05Å; I31-T72 WeakPolarHBondContact CD1-OG1 3.38Å; V70-T72 HydrophobicContact CG2-CG2 4.03Å; T72-C74 PolarHBondContact O-N 2.81Å; T72-C74 PolarHBondContact OG1-N 2.96Å; T72-C74 VanDerWaalsContact OG1-N 3.11Å; T72-G75 WeakPolarHBondContact CB-O 3.26Å; T72-G75 PolarHBondContact N-O 3.42Å; T72-G75 VanDerWaalsContact N-O 3.15Å; T72-G75 PolarHBondContact O-N 3.48Å; T72-G75 PolarHBondContact OG1-N 3.33Å; T72-G75 PolarHBondContact OG1-O 2.87Å
73D95.7Very high96.3Very high39 Ų3937.8 Ų37.821%0.20920%0.202CC..THydrogen-bonded Turntrans-66.2-12.717265.4-21000113.8M1 I2 R3 L4 S5M1-D73 HydrophobicContact SD-CB 4.23Å; I2-D73 PolarHBondContact O-N 3.47Å; R3-D73 WeakPolarHBondContact CD-OD2 3.22Å; R3-D73 IonicContact NH1-OD2 3.92Å; L4-D73 PolarHBondContact N-OD1 2.76Å; S5-D73 VanDerWaalsContact CB-OD2 3.29Å; S5-D73 WeakPolarHBondContact CB-OD2 3.46Å; S5-D73 PolarHBondContact N-OD1 2.99Å; S5-D73 PolarHBondContact N-OD2 3.48Å; S5-D73 PolarHBondContact OG-OD2 3.22Å
74C93.5Very high96.2Very high43 Ų4339 Ų3929%0.29121%0.213SC..THydrogen-bonded Turntrans-98.313.9172.6-57.80000112.5S5 I31 T72S5-C74 PolarHBondContact N-SG 3.42Å; I31-C74 HydrophobicContact CD1-CB 4.45Å; I31-C74 HydrophobicContact CG1-CB 4.21Å; I31-C74 HydrophobicContact CG2-CB 3.84Å; I31-C74 WeakPolarHBondContact CG2-O 3.36Å; T72-C74 PolarHBondContact O-N 2.81Å; T72-C74 PolarHBondContact OG1-N 2.96Å; T72-C74 VanDerWaalsContact OG1-N 3.11Å
75G93.1Very high96.2Very high27 Ų2739.7 Ų39.728%0.27822%0.216SC..EExtended strand (participates in β ladder)trans93.8-165.3-176.100000113.4T72 G77T72-G75 WeakPolarHBondContact CB-O 3.26Å; T72-G75 PolarHBondContact N-O 3.42Å; T72-G75 VanDerWaalsContact N-O 3.15Å; T72-G75 PolarHBondContact O-N 3.48Å; T72-G75 PolarHBondContact OG1-N 3.33Å; T72-G75 PolarHBondContact OG1-O 2.87Å; G75-G77 PolarHBondContact O-N 2.89Å
76T95.4Very high96.1Very high35 Ų3537.7 Ų37.722%0.21521%0.211CC..EExtended strand (participates in β ladder)trans-61.1120.8178.9-46.30000111.3T69 Y78T69-T76 HydrophobicContact CG2-CG2 3.88Å; T76-Y78 HydrophobicContact CG2-CE1 4.41Å; T76-Y78 HydrophobicContact CG2-CE2 4.49Å
77G96.7Very high96Very high0 Ų037.9 Ų37.90%022%0.216CC..EExtended strand (participates in β ladder)trans-98.3143.8172.200000112.4I31 T69 V70 G75I31-G77 VanDerWaalsContact CD1-CA 3.49Å; T69-G77 CarbonylContact C-O 3.54Å; T69-G77 WeakPolarHBondContact CA-O 3.31Å; V70-G77 PolarHBondContact N-O 3.25Å; V70-G77 PolarHBondContact O-N 3.34Å; G75-G77 PolarHBondContact O-N 2.89Å
78Y97.1Very high95.6Very high29 Ų2937.4 Ų37.411%0.11423%0.23CC..EExtended strand (participates in β ladder)trans-109.8120.5179.8-60-85.6000109.1K30 V32 I43 L47 Y66 T69 T76 Y80K30-Y78 PolarHBondContact N-O 3.49Å; K30-Y78 PolarHBondContact O-N 3.03Å; V32-Y78 HydrophobicContact CG2-CD2 4.46Å; V32-Y78 HydrophobicContact CG2-CE2 4.12Å; I43-Y78 HydrophobicContact CD1-CD1 3.73Å; I43-Y78 HydrophobicContact CD1-CD2 3.78Å; I43-Y78 HydrophobicContact CD1-CE1 3.93Å; I43-Y78 HydrophobicContact CD1-CE2 3.95Å; I43-Y78 HydrophobicContact CD1-CG 3.67Å; I43-Y78 HydrophobicContact CG1-CD1 4.04Å; I43-Y78 HydrophobicContact CG1-CD2 4.04Å; I43-Y78 HydrophobicContact CG1-CE1 3.68Å; I43-Y78 HydrophobicContact CG1-CE2 3.66Å; I43-Y78 HydrophobicContact CG1-CG 4.22Å; I43-Y78 VanDerWaalsContact CG1-CZ 3.46Å; L47-Y78 HydrophobicContact CD1-CD1 4.12Å; L47-Y78 HydrophobicContact CD1-CE1 3.69Å; L47-Y78 HydrophobicContact CD2-CD1 4.16Å; Y66-Y78 HydrophobicContact CE2-CD1 4.17Å; T69-Y78 HydrophobicContact CG2-CD1 3.62Å; T69-Y78 HydrophobicContact CG2-CE1 3.62Å; T76-Y78 HydrophobicContact CG2-CE1 4.41Å; T76-Y78 HydrophobicContact CG2-CE2 4.49Å; Y78-Y80 VanDerWaalsContact O-CD2 3.25Å; Y78-Y80 WeakPolarHBondContact O-CD2 3.28Å; Y78-Y80 WeakPolarHBondContact O-CE2 3.39Å
79V98.2Very high95.4Very high10 Ų1040.3 Ų40.36%0.06124%0.236CC..EExtended strand (participates in β ladder)trans-92.9128-169.5-172.20000110.7R27 C28 I29 Y66 H67 G68 V70R27-V79 HydrophobicContact CB-CG1 3.91Å; R27-V79 HydrophobicContact CG-CG1 4.22Å; C28-V79 CarbonylContact O-C 3.43Å; C28-V79 VanDerWaalsContact O-CA 3.31Å; C28-V79 WeakPolarHBondContact O-CA 3.31Å; I29-V79 HydrophobicContact CG1-CG2 4.5Å; Y66-V79 VanDerWaalsContact CD2-O 3.27Å; Y66-V79 WeakPolarHBondContact CD2-O 3.46Å; H67-V79 HydrophobicContact CB-CB 4.11Å; H67-V79 HydrophobicContact CB-CG1 4.02Å; H67-V79 PolarHBondContact N-O 2.88Å; G68-V79 PolarHBondContact O-N 3.2Å; V70-V79 HydrophobicContact CB-CG2 4.36Å; V70-V79 HydrophobicContact CG1-CG2 3.75Å; V70-V79 HydrophobicContact CG2-CG2 3.77Å
80Y97.5Very high95.1Very high1 Ų140.3 Ų40.30%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-132.4164.4176.9-57.1-97.6000111.5R27 C28 K30 E46 Y50 R65 Y66 Y78R27-Y80 CarbonylContact C-O 3.48Å; R27-Y80 VanDerWaalsContact CA-O 3.31Å; R27-Y80 WeakPolarHBondContact CA-O 3.29Å; C28-Y80 PolarHBondContact N-O 3.19Å; C28-Y80 PolarHBondContact O-N 3.39Å; K30-Y80 HydrophobicContact CB-CD2 4.4Å; K30-Y80 HydrophobicContact CB-CE2 4.16Å; K30-Y80 HydrophobicContact CD-CD2 3.76Å; K30-Y80 HydrophobicContact CD-CE2 3.74Å; K30-Y80 HydrophobicContact CG-CD2 3.91Å; K30-Y80 HydrophobicContact CG-CE2 4.07Å; E46-Y80 PolarHBondContact OE1-OH 3.44Å; Y50-Y80 HydrophobicContact CD2-CE1 4.43Å; Y50-Y80 HydrophobicContact CE1-CE1 4.48Å; Y50-Y80 AromaticContact CE2-CE1 3.85Å; Y50-Y80 HydrophobicContact CE2-CE1 3.85Å; Y50-Y80 AromaticContact CZ-CE1 3.87Å; R65-Y80 CarbonylContact O-C 3.56Å; R65-Y80 WeakPolarHBondContact O-CA 3.49Å; Y66-Y80 HydrophobicContact CD2-CD1 4.09Å; Y66-Y80 AromaticContact CD2-CE1 3.6Å; Y66-Y80 HydrophobicContact CD2-CE1 3.6Å; Y66-Y80 HydrophobicContact CD2-CE2 4.14Å; Y66-Y80 AromaticContact CD2-CZ 3.6Å; Y66-Y80 HydrophobicContact CG-CE1 4.1Å; Y78-Y80 VanDerWaalsContact O-CD2 3.25Å; Y78-Y80 WeakPolarHBondContact O-CD2 3.28Å; Y78-Y80 WeakPolarHBondContact O-CE2 3.39Å
81D96.6Very high95Very high34 Ų3439 Ų3918%0.18223%0.231CC..EExtended strand (participates in β ladder)trans-56.2138.1166.5-64.5-30.6000111.1R27 P64 R65 H67 I83R27-D81 IonicContact CZ-OD1 2.77Å; R27-D81 IonicContact NH1-OD1 3.75Å; R27-D81 PolarHBondContact NH1-OD1 3.08Å; P64-D81 HydrophobicContact CB-CB 4.12Å; R65-D81 WeakPolarHBondContact CA-OD2 3.41Å; R65-D81 WeakPolarHBondContact CB-OD2 3.47Å; R65-D81 PolarHBondContact N-OD2 3.42Å; R65-D81 PolarHBondContact O-N 3.18Å; H67-D81 IonicContact CD2-OD1 3.13Å; H67-D81 IonicContact CE1-OD1 3.79Å; H67-D81 IonicContact NE2-OD1 3.43Å; H67-D81 PolarHBondContact NE2-OD1 2.91Å; D81-I83 HydrophobicContact CB-CD1 4.38Å
82V94.8Very high94.9Very high39 Ų3934.9 Ų34.924%0.23621%0.212CC..  trans-77137.5160.1166.20000108.3Q26 R27 C28 A84Q26-V82 PolarHBondContact O-N 2.99Å; R27-V82 WeakPolarHBondContact O-CG2 3.41Å; C28-V82 HydrophobicContact CB-CG2 3.6Å; V82-A84 HydrophobicContact CG1-CB 3.72Å
83I95Very high94.9Very high22 Ų2235.9 Ų35.911%0.11322%0.218CC..  trans-103.593.8171.5-50.4-53.7000107P64 D81 S91 L137 H139 V149P64-I83 HydrophobicContact CB-CD1 4.34Å; P64-I83 HydrophobicContact CG-CD1 4.08Å; P64-I83 HydrophobicContact CG-CG1 4.04Å; D81-I83 HydrophobicContact CB-CD1 4.38Å; I83-S91 PolarHBondContact O-N 3.31Å; I83-S91 PolarHBondContact O-OG 2.86Å; I83-L137 HydrophobicContact CB-CD1 3.66Å; I83-L137 HydrophobicContact CG1-CD1 4.21Å; I83-L137 HydrophobicContact CG2-CB 3.97Å; I83-L137 HydrophobicContact CG2-CD1 3.9Å; I83-H139 HydrophobicContact CG2-CB 3.61Å; I83-V149 HydrophobicContact CD1-CG1 3.79Å; I83-V149 HydrophobicContact CG1-CB 4.49Å; I83-V149 HydrophobicContact CG1-CG1 3.94Å; I83-V149 HydrophobicContact CG2-CB 4.24Å; I83-V149 HydrophobicContact CG2-CG2 4.09Å
84A94.2Very high95Very high28 Ų2834.1 Ų34.123%0.23121%0.208CC..BIsolated β-bridgetrans-126.2140.2178.700000108.5V82 K89 H139V82-A84 HydrophobicContact CG1-CB 3.72Å; A84-K89 CarbonylContact C-O 3.58Å; A84-K89 VanDerWaalsContact CA-O 3.27Å; A84-K89 WeakPolarHBondContact CA-O 3.33Å; A84-K89 WeakPolarHBondContact CB-O 3.34Å; A84-H139 PolarHBondContact O-CD2 2.77Å; A84-H139 VanDerWaalsContact O-CD2 3.26Å; A84-H139 PolarHBondContact O-NE2 3.31Å
85D96.1Very high95.3Very high17 Ų1733.3 Ų33.39%0.09120%0.202CC..  trans-64166.3179.8-67.2-18.4000111.4D87 G88 K89 S91 R140D85-D87 PolarHBondContact O-N 3.36Å; D85-G88 WeakPolarHBondContact O-CA 3.38Å; D85-G88 PolarHBondContact O-N 2.84Å; D85-K89 PolarHBondContact N-O 2.85Å; D85-S91 VanDerWaalsContact OD1-CB 3.3Å; D85-S91 WeakPolarHBondContact OD1-CB 3.33Å; D85-S91 PolarHBondContact OD1-OG 2.88Å; D85-R140 CarbonylContact C-O 3.54Å; D85-R140 WeakPolarHBondContact CA-O 3.44Å; D85-R140 HydrophobicContact CB-CB 3.92Å; D85-R140 WeakPolarHBondContact OD1-CB 3.37Å; D85-R140 PolarHBondContact OD1-N 3.04Å; D85-R140 WeakPolarHBondContact OD2-CD 3.43Å
86F95Very high95.5Very high89 Ų8935 Ų3539%0.3920%0.202SC..THydrogen-bonded Turntrans-57.1-20.3-179.770.4-96.3000114.5G88 R140 S142 E143F86-G88 VanDerWaalsContact C-N 3.32Å; F86-R140 HydrophobicContact CD1-CB 3.96Å; F86-R140 WeakPolarHBondContact CD1-O 3.3Å; F86-R140 HydrophobicContact CE1-CB 4.19Å; F86-R140 PolarHBondContact N-O 3.1Å; F86-S142 VanDerWaalsContact CD1-O 3.27Å; F86-S142 WeakPolarHBondContact CD1-O 3.49Å; F86-S142 VanDerWaalsContact CE1-O 3.22Å; F86-S142 WeakPolarHBondContact CE1-O 3.32Å; F86-E143 HydrophobicContact CE1-CB 4.47Å; F86-E143 HydrophobicContact CE1-CG 4.14Å; F86-E143 HydrophobicContact CE2-CG 3.77Å; F86-E143 HydrophobicContact CZ-CB 4.21Å; F86-E143 HydrophobicContact CZ-CG 3.46Å; F86-E143 VanDerWaalsContact CZ-CG 3.46Å
87D94.1Very high95.6Very high61 Ų6133.5 Ų33.533%0.32619%0.193SC..THydrogen-bonded Turntrans-89.34.3176.169.6-3000113.2D85 K89 S207D85-D87 PolarHBondContact O-N 3.36Å; D87-K89 VanDerWaalsContact C-N 3.31Å; D87-K89 VanDerWaalsContact OD1-CB 3.3Å; D87-K89 WeakPolarHBondContact OD1-CB 3.12Å; D87-K89 WeakPolarHBondContact OD1-CG 3.14Å; D87-K89 PolarHBondContact OD1-N 3.48Å; D87-K89 WeakPolarHBondContact OD2-CD 3.26Å; D87-S207 PolarHBondContact OD2-OG 2.78Å
88G89.6Confident95.6Very high60 Ų6033.5 Ų33.562%0.61919%0.193SC*.SBendtrans83.2-1.4-179.900000114.6D85 F86D85-G88 WeakPolarHBondContact O-CA 3.38Å; D85-G88 PolarHBondContact O-N 2.84Å; F86-G88 VanDerWaalsContact C-N 3.32Å
89K91.7Very high95.5Very high83 Ų8337.5 Ų37.536%0.36121%0.213SC..SBendtrans-81.8147.9179.7-62.3-179.1-174.7178.30111A84 D85 D87 S91 S207A84-K89 CarbonylContact C-O 3.58Å; A84-K89 VanDerWaalsContact CA-O 3.27Å; A84-K89 WeakPolarHBondContact CA-O 3.33Å; A84-K89 WeakPolarHBondContact CB-O 3.34Å; D85-K89 PolarHBondContact N-O 2.85Å; D87-K89 VanDerWaalsContact C-N 3.31Å; D87-K89 VanDerWaalsContact OD1-CB 3.3Å; D87-K89 WeakPolarHBondContact OD1-CB 3.12Å; D87-K89 WeakPolarHBondContact OD1-CG 3.14Å; D87-K89 PolarHBondContact OD1-N 3.48Å; D87-K89 WeakPolarHBondContact OD2-CD 3.26Å; K89-S91 PolarHBondContact O-N 3.36Å; K89-S207 PolarHBondContact NZ-OG 2.98Å
90P91.2Very high95.4Very high80 Ų8040.4 Ų40.452%0.51923%0.226SC..BIsolated β-bridgetrans-58.9131173.7-22.132.8000111
91S95.5Very high95.2Very high9 Ų940.5 Ų40.56%0.06323%0.226CC..PPolyproline II helixtrans-62.7140.2177.2-55.10000110.5I83 D85 K89 H139I83-S91 PolarHBondContact O-N 3.31Å; I83-S91 PolarHBondContact O-OG 2.86Å; D85-S91 VanDerWaalsContact OD1-CB 3.3Å; D85-S91 WeakPolarHBondContact OD1-CB 3.33Å; D85-S91 PolarHBondContact OD1-OG 2.88Å; K89-S91 PolarHBondContact O-N 3.36Å; S91-H139 WeakPolarHBondContact OG-CA 3.42Å
92I95.7Very high95Very high23 Ų2345.6 Ų45.612%0.11824%0.243CC..PPolyproline II helixtrans-74.6155.817766.2172.7000111.2E96 F97 L137 C138I92-E96 HydrophobicContact CB-CB 4.19Å; I92-E96 HydrophobicContact CD1-CB 4.5Å; I92-F97 HydrophobicContact CD1-CB 3.93Å; I92-F97 HydrophobicContact CD1-CD2 4.15Å; I92-F97 HydrophobicContact CG1-CB 4.44Å; I92-L137 CarbonylContact O-C 3.54Å; I92-L137 WeakPolarHBondContact O-CA 3.43Å; I92-C138 HydrophobicContact CG1-CB 4.41Å; I92-C138 PolarHBondContact O-N 2.89Å
93T97Very high94.8Very high25 Ų2547.8 Ų47.815%0.15325%0.248CC..BIsolated β-bridgetrans-71.5157.8173.164.60000111.5T95 E96 F97 Q134 I136 L137T93-T95 PolarHBondContact O-N 3.18Å; T93-E96 WeakPolarHBondContact CB-OE2 3.24Å; T93-E96 PolarHBondContact N-OE2 3.24Å; T93-E96 PolarHBondContact O-N 2.92Å; T93-E96 WeakPolarHBondContact OG1-CG 3.42Å; T93-E96 PolarHBondContact OG1-N 3.12Å; T93-E96 VanDerWaalsContact OG1-N 3.12Å; T93-E96 PolarHBondContact OG1-OE2 3.17Å; T93-F97 WeakPolarHBondContact O-CB 3.37Å; T93-F97 PolarHBondContact O-N 2.97Å; T93-Q134 WeakPolarHBondContact CG2-O 3.39Å; T93-I136 CarbonylContact C-O 3.57Å; T93-I136 VanDerWaalsContact CA-O 3.31Å; T93-I136 WeakPolarHBondContact CA-O 3.48Å; T93-L137 HydrophobicContact CG2-CD2 3.77Å
94L98.2Very high94.6Very high2 Ų251.8 Ų51.81%0.0127%0.266CS..Hα-helixtrans-64.2-25.2172.8-169.469.6000112A98 L110 L113 L114 P133 I136 C138 F181 L187L94-A98 VanDerWaalsContact O-CB 3.29Å; L94-A98 WeakPolarHBondContact O-CB 3.48Å; L94-A98 PolarHBondContact O-N 2.82Å; L94-L110 HydrophobicContact CD1-CD1 3.68Å; L94-L110 HydrophobicContact CG-CD1 4.38Å; L94-L113 HydrophobicContact CD1-CB 4.5Å; L94-L113 HydrophobicContact CD1-CD1 4.34Å; L94-L114 HydrophobicContact CD2-CD2 3.97Å; L94-P133 HydrophobicContact CB-CB 4.11Å; L94-P133 WeakPolarHBondContact CB-O 3.31Å; L94-P133 HydrophobicContact CD2-CB 4.27Å; L94-P133 HydrophobicContact CG-CB 4.35Å; L94-P133 PolarHBondContact N-O 2.76Å; L94-I136 HydrophobicContact CB-CB 4.1Å; L94-I136 HydrophobicContact CB-CG2 4.23Å; L94-I136 HydrophobicContact CD2-CB 4.44Å; L94-I136 HydrophobicContact CD2-CD1 4.11Å; L94-I136 HydrophobicContact CD2-CG2 4.35Å; L94-I136 PolarHBondContact N-O 2.92Å; L94-C138 VanDerWaalsContact CD1-SG 3.6Å; L94-F181 HydrophobicContact CD2-CE2 4.37Å; L94-F181 HydrophobicContact CD2-CZ 3.64Å; L94-L187 HydrophobicContact CD2-CD1 4.43Å; L94-L187 HydrophobicContact CD2-CD2 4.11Å; L94-L187 HydrophobicContact CG-CD2 4.11Å
95T97.9Very high94.5Very high25 Ų2554 Ų5415%0.15327%0.272CS..Hα-helixtrans-62.3-56.7169.2-62.30000110.6T93 F97 A98 E99 P133 Q134 A186T93-T95 PolarHBondContact O-N 3.18Å; T95-F97 VanDerWaalsContact C-N 3.29Å; T95-F97 PolarHBondContact O-N 3.45Å; T95-A98 PolarHBondContact O-N 3.26Å; T95-A98 VanDerWaalsContact O-N 3.16Å; T95-E99 HydrophobicContact CG2-CG 4.49Å; T95-E99 WeakPolarHBondContact CG2-OE1 3.44Å; T95-E99 WeakPolarHBondContact O-CG 3.31Å; T95-E99 PolarHBondContact O-N 3.29Å; T95-P133 WeakPolarHBondContact OG1-CB 3.41Å; T95-Q134 WeakPolarHBondContact OG1-CA 3.47Å; T95-Q134 PolarHBondContact OG1-N 3.46Å; T95-A186 HydrophobicContact CG2-CB 4.06Å
96E97.6Very high94.3Very high62 Ų6254.1 Ų54.129%0.2927%0.272SS..Hα-helixtrans-59.4-42.8-179.7-71.7160.5137.300110.8I92 T93 A98 E99 Q100I92-E96 HydrophobicContact CB-CB 4.19Å; I92-E96 HydrophobicContact CD1-CB 4.5Å; T93-E96 WeakPolarHBondContact CB-OE2 3.24Å; T93-E96 PolarHBondContact N-OE2 3.24Å; T93-E96 PolarHBondContact O-N 2.92Å; T93-E96 WeakPolarHBondContact OG1-CG 3.42Å; T93-E96 PolarHBondContact OG1-N 3.12Å; T93-E96 VanDerWaalsContact OG1-N 3.12Å; T93-E96 PolarHBondContact OG1-OE2 3.17Å; E96-A98 PolarHBondContact O-N 2.75Å; E96-E99 PolarHBondContact O-N 2.81Å; E96-Q100 WeakPolarHBondContact O-CB 3.46Å; E96-Q100 WeakPolarHBondContact O-CG 3.21Å; E96-Q100 PolarHBondContact O-N 3.3Å
97F97.2Very high94.3Very high4 Ų450.1 Ų50.12%0.01826%0.255CS..Hα-helixtrans-56.5-50.4175.4-173.1-75.8000111.6I92 T93 T95 E99 Q100 C101 Q109 L110 L113 C138 L205I92-F97 HydrophobicContact CD1-CB 3.93Å; I92-F97 HydrophobicContact CD1-CD2 4.15Å; I92-F97 HydrophobicContact CG1-CB 4.44Å; T93-F97 WeakPolarHBondContact O-CB 3.37Å; T93-F97 PolarHBondContact O-N 2.97Å; T95-F97 VanDerWaalsContact C-N 3.29Å; T95-F97 PolarHBondContact O-N 3.45Å; F97-E99 VanDerWaalsContact C-N 3.32Å; F97-E99 PolarHBondContact O-N 3.14Å; F97-Q100 PolarHBondContact O-N 3.38Å; F97-Q100 VanDerWaalsContact O-N 3.15Å; F97-C101 PolarHBondContact O-N 3.38Å; F97-C101 PolarHBondContact O-SG 2.89Å; F97-Q109 HydrophobicContact CE2-CG 4.46Å; F97-Q109 HydrophobicContact CZ-CB 4.04Å; F97-Q109 HydrophobicContact CZ-CG 3.82Å; F97-Q109 VanDerWaalsContact CZ-OE1 3.3Å; F97-L110 HydrophobicContact CD1-CB 4.37Å; F97-L110 HydrophobicContact CD1-CD1 4.06Å; F97-L110 HydrophobicContact CE1-CB 3.9Å; F97-L110 HydrophobicContact CE1-CD1 4.37Å; F97-L113 HydrophobicContact CD1-CD1 4.43Å; F97-L113 HydrophobicContact CD2-CD1 4.26Å; F97-L113 HydrophobicContact CE1-CD1 4.2Å; F97-L113 HydrophobicContact CE2-CD1 3.96Å; F97-L113 HydrophobicContact CG-CD1 4.49Å; F97-L113 HydrophobicContact CZ-CD1 3.97Å; F97-C138 HydrophobicContact CD2-CB 4.24Å; F97-L205 HydrophobicContact CD2-CD2 3.79Å; F97-L205 HydrophobicContact CE2-CD1 3.93Å; F97-L205 HydrophobicContact CE2-CD2 3.23Å; F97-L205 HydrophobicContact CE2-CG 4.21Å; F97-L205 HydrophobicContact CZ-CD2 3.95Å
98A97.4Very high94.3Very high1 Ų149.8 Ų49.81%0.00826%0.261CS..Hα-helixtrans-64.9-36.3-179.100000112.5L94 T95 E96 Q100 C101 L110 L187 A190L94-A98 VanDerWaalsContact O-CB 3.29Å; L94-A98 WeakPolarHBondContact O-CB 3.48Å; L94-A98 PolarHBondContact O-N 2.82Å; T95-A98 PolarHBondContact O-N 3.26Å; T95-A98 VanDerWaalsContact O-N 3.16Å; E96-A98 PolarHBondContact O-N 2.75Å; A98-Q100 VanDerWaalsContact C-N 3.3Å; A98-C101 PolarHBondContact O-N 3.15Å; A98-L110 HydrophobicContact CB-CD2 4.14Å; A98-L187 HydrophobicContact CB-CD2 4.13Å; A98-A190 HydrophobicContact CB-CB 3.91Å
99E96Very high94.5Very high112 Ų11248.4 Ų48.452%0.52324%0.238SC..Hα-helixtrans-67.8-30.8174.9-73172.417700112.2T95 E96 F97 R102T95-E99 HydrophobicContact CG2-CG 4.49Å; T95-E99 WeakPolarHBondContact CG2-OE1 3.44Å; T95-E99 WeakPolarHBondContact O-CG 3.31Å; T95-E99 PolarHBondContact O-N 3.29Å; E96-E99 PolarHBondContact O-N 2.81Å; F97-E99 VanDerWaalsContact C-N 3.32Å; F97-E99 PolarHBondContact O-N 3.14Å; E99-R102 PolarHBondContact O-NH1 2.99Å
100Q94.5Very high94.8Very high72 Ų7244.5 Ų44.534%0.33622%0.221SC..Hα-helixtrans-82.7-14.4178.9-72.7172.1800114.1E96 F97 A98 R102E96-Q100 WeakPolarHBondContact O-CB 3.46Å; E96-Q100 WeakPolarHBondContact O-CG 3.21Å; E96-Q100 PolarHBondContact O-N 3.3Å; F97-Q100 PolarHBondContact O-N 3.38Å; F97-Q100 VanDerWaalsContact O-N 3.15Å; A98-Q100 VanDerWaalsContact C-N 3.3Å; Q100-R102 VanDerWaalsContact C-NH1 3.3Å; Q100-R102 WeakPolarHBondContact O-CG 3.39Å; Q100-R102 PolarHBondContact O-N 3.12Å; Q100-R102 PolarHBondContact O-NH1 3.27Å
101C93.7Very high95Very high2 Ų246.7 Ų46.71%0.01422%0.219CC..  trans-57.8125.6177.4-600000112F97 A98 D106 I107 K193F97-C101 PolarHBondContact O-N 3.38Å; F97-C101 PolarHBondContact O-SG 2.89Å; A98-C101 PolarHBondContact O-N 3.15Å; C101-D106 HydrophobicContact CB-CB 3.76Å; C101-I107 HydrophobicContact CB-CD1 3.47Å; C101-I107 VanDerWaalsContact CB-CD1 3.47Å; C101-I107 HydrophobicContact CB-CG1 4.33Å; C101-K193 PolarHBondContact O-NZ 2.84Å
102R91.9Very high95.1Very high141 Ų14151.7 Ų51.753%0.53224%0.241SC..  trans-125.5-24.2179.3-63.9-62.2173.7-88.4-1113.2E99 Q100 D106 L195E99-R102 PolarHBondContact O-NH1 2.99Å; Q100-R102 VanDerWaalsContact C-NH1 3.3Å; Q100-R102 WeakPolarHBondContact O-CG 3.39Å; Q100-R102 PolarHBondContact O-N 3.12Å; Q100-R102 PolarHBondContact O-NH1 3.27Å; R102-D106 PolarHBondContact N-OD2 3.07Å; R102-L195 WeakPolarHBondContact O-CD2 3.17Å
103Y92.5Very high95.2Very high86 Ų8650.7 Ų50.734%0.33724%0.236SC..SBendtrans-123163.9-176.8-51.4-76.9000112.5E105 D106 I107 L195 R198Y103-E105 WeakPolarHBondContact CB-OE2 3.49Å; Y103-E105 PolarHBondContact O-N 3.28Å; Y103-D106 PolarHBondContact N-OD2 3.05Å; Y103-D106 WeakPolarHBondContact O-CB 3.41Å; Y103-D106 PolarHBondContact O-N 2.95Å; Y103-D106 VanDerWaalsContact O-N 3.12Å; Y103-I107 PolarHBondContact O-N 3.25Å; Y103-L195 WeakPolarHBondContact O-CD1 3.29Å; Y103-R198 HydrophobicContact CD1-CB 3.87Å; Y103-R198 HydrophobicContact CD1-CG 3.96Å; Y103-R198 HydrophobicContact CD2-CB 4.25Å; Y103-R198 HydrophobicContact CD2-CG 3.89Å; Y103-R198 HydrophobicContact CE1-CB 4.39Å; Y103-R198 HydrophobicContact CE1-CG 4.02Å; Y103-R198 HydrophobicContact CE2-CG 3.95Å; Y103-R198 HydrophobicContact CG-CB 3.78Å; Y103-R198 HydrophobicContact CG-CG 3.89Å
104E90.1Very high95.2Very high106 Ų10650.1 Ų50.150%0.49523%0.232SC..Hα-helixtrans-57.5-36176.8-170.2177.4-177.100111.8D106 I107 A108 Q196E104-D106 VanDerWaalsContact C-N 3.34Å; E104-D106 PolarHBondContact O-N 3.44Å; E104-I107 PolarHBondContact O-N 3.15Å; E104-A108 PolarHBondContact O-N 2.92Å; E104-Q196 PolarHBondContact N-O 2.63Å
105E91.2Very high95.2Very high75 Ų7557.9 Ų57.935%0.3527%0.266SS..Hα-helixtrans-62.9-38.7177.3-61.381.8178.800112.2Y103 I107 A108 Q109 R198Y103-E105 WeakPolarHBondContact CB-OE2 3.49Å; Y103-E105 PolarHBondContact O-N 3.28Å; E105-I107 VanDerWaalsContact C-N 3.32Å; E105-I107 PolarHBondContact O-N 3.37Å; E105-A108 WeakPolarHBondContact O-CB 3.46Å; E105-A108 PolarHBondContact O-N 3.18Å; E105-Q109 PolarHBondContact O-N 3.12Å; E105-R198 PolarHBondContact OE1-N 3.42Å; E105-R198 VanDerWaalsContact OE1-N 3.13Å; E105-R198 WeakPolarHBondContact OE2-CB 3.38Å; E105-R198 PolarHBondContact OE2-N 3.28Å; E105-R198 VanDerWaalsContact OE2-N 3.1Å
106D93.2Very high95.3Very high19 Ų1959.7 Ų59.710%0.10227%0.273CS..Hα-helixtrans-65.5-39.9177.6-53.4-32.9000110.4C101 R102 Y103 E104 Q109 L110C101-D106 HydrophobicContact CB-CB 3.76Å; R102-D106 PolarHBondContact N-OD2 3.07Å; Y103-D106 PolarHBondContact N-OD2 3.05Å; Y103-D106 WeakPolarHBondContact O-CB 3.41Å; Y103-D106 PolarHBondContact O-N 2.95Å; Y103-D106 VanDerWaalsContact O-N 3.12Å; E104-D106 VanDerWaalsContact C-N 3.34Å; E104-D106 PolarHBondContact O-N 3.44Å; D106-Q109 PolarHBondContact O-N 3.16Å; D106-L110 PolarHBondContact O-N 3.2Å
107I93.9Very high95.3Very high4 Ų456.8 Ų56.82%0.02126%0.259CS..Hα-helixtrans-70-36.2177.1-59.5-58.2000111C101 Y103 E104 E105 Q109 L110 R111 A190 L195C101-I107 HydrophobicContact CB-CD1 3.47Å; C101-I107 VanDerWaalsContact CB-CD1 3.47Å; C101-I107 HydrophobicContact CB-CG1 4.33Å; Y103-I107 PolarHBondContact O-N 3.25Å; E104-I107 PolarHBondContact O-N 3.15Å; E105-I107 VanDerWaalsContact C-N 3.32Å; E105-I107 PolarHBondContact O-N 3.37Å; I107-Q109 VanDerWaalsContact C-N 3.34Å; I107-L110 PolarHBondContact O-N 2.91Å; I107-R111 VanDerWaalsContact CG2-CZ 3.48Å; I107-R111 VanDerWaalsContact CG2-NH1 3.29Å; I107-R111 WeakPolarHBondContact O-CG 3.21Å; I107-R111 PolarHBondContact O-N 2.9Å; I107-A190 HydrophobicContact CD1-CB 4.24Å; I107-A190 WeakPolarHBondContact CD1-O 3.48Å; I107-L195 HydrophobicContact CD1-CD1 4.06Å; I107-L195 HydrophobicContact CG1-CD1 3.47Å; I107-L195 VanDerWaalsContact CG1-CD1 3.47Å
108A93.9Very high95.3Very high55 Ų5559.2 Ų59.246%0.45527%0.27SS..Hα-helixtrans-60.9-44.3172.300000111E104 E105 R111 Q112E104-A108 PolarHBondContact O-N 2.92Å; E105-A108 WeakPolarHBondContact O-CB 3.46Å; E105-A108 PolarHBondContact O-N 3.18Å; A108-R111 PolarHBondContact O-N 2.8Å; A108-Q112 PolarHBondContact O-N 2.79Å
109Q94.8Very high95.3Very high31 Ų3166.1 Ų66.115%0.14530%0.295CS..Hα-helixtrans-64.8-41.1175.5-169.2173.344.900111.9F97 E105 D106 I107 R111 Q112 L113F97-Q109 HydrophobicContact CE2-CG 4.46Å; F97-Q109 HydrophobicContact CZ-CB 4.04Å; F97-Q109 HydrophobicContact CZ-CG 3.82Å; F97-Q109 VanDerWaalsContact CZ-OE1 3.3Å; E105-Q109 PolarHBondContact O-N 3.12Å; D106-Q109 PolarHBondContact O-N 3.16Å; I107-Q109 VanDerWaalsContact C-N 3.34Å; Q109-R111 VanDerWaalsContact C-N 3.34Å; Q109-R111 PolarHBondContact O-N 2.8Å; Q109-Q112 WeakPolarHBondContact O-CB 3.22Å; Q109-Q112 PolarHBondContact O-N 3.19Å; Q109-Q112 VanDerWaalsContact O-N 3.16Å; Q109-L113 WeakPolarHBondContact O-CG 3.29Å; Q109-L113 PolarHBondContact O-N 3.12Å
110L96.7Very high95.4Very high0 Ų061.8 Ų61.80%027%0.274CS..Hα-helixtrans-57.7-46.3173.2-179.657.5000111.5L94 F97 A98 D106 I107 Q112 L113 L114 L187 A190 L191L94-L110 HydrophobicContact CD1-CD1 3.68Å; L94-L110 HydrophobicContact CG-CD1 4.38Å; F97-L110 HydrophobicContact CD1-CB 4.37Å; F97-L110 HydrophobicContact CD1-CD1 4.06Å; F97-L110 HydrophobicContact CE1-CB 3.9Å; F97-L110 HydrophobicContact CE1-CD1 4.37Å; A98-L110 HydrophobicContact CB-CD2 4.14Å; D106-L110 PolarHBondContact O-N 3.2Å; I107-L110 PolarHBondContact O-N 2.91Å; L110-Q112 VanDerWaalsContact C-N 3.3Å; L110-Q112 PolarHBondContact O-N 2.72Å; L110-L113 PolarHBondContact O-N 3.17Å; L110-L114 HydrophobicContact CD1-CD1 4.41Å; L110-L114 HydrophobicContact CD1-CG 4.39Å; L110-L114 HydrophobicContact CG-CD1 4.24Å; L110-L114 VanDerWaalsContact O-CG 3.28Å; L110-L114 WeakPolarHBondContact O-CG 3.16Å; L110-L114 PolarHBondContact O-N 3.3Å; L110-L187 HydrophobicContact CD1-CD2 3.98Å; L110-L187 HydrophobicContact CD2-CD2 4.46Å; L110-A190 HydrophobicContact CD2-CB 3.77Å; L110-L191 HydrophobicContact CD2-CD2 4.07Å; L110-L191 HydrophobicContact CD2-CG 4.28Å; L110-L191 HydrophobicContact CG-CD2 4.31Å
111R96.6Very high95.6Very high127 Ų12758.8 Ų58.848%0.47926%0.261SS..Hα-helixtrans-62.2-38.3177-73.9177.4178125.45.6111.7I107 A108 Q109 L114 K115 L191I107-R111 VanDerWaalsContact CG2-CZ 3.48Å; I107-R111 VanDerWaalsContact CG2-NH1 3.29Å; I107-R111 WeakPolarHBondContact O-CG 3.21Å; I107-R111 PolarHBondContact O-N 2.9Å; A108-R111 PolarHBondContact O-N 2.8Å; Q109-R111 VanDerWaalsContact C-N 3.34Å; Q109-R111 PolarHBondContact O-N 2.8Å; R111-L114 PolarHBondContact O-N 3.34Å; R111-K115 WeakPolarHBondContact O-CB 3.31Å; R111-K115 PolarHBondContact O-N 2.86Å; R111-L191 HydrophobicContact CG-CD2 3.75Å; R111-L191 PolarHBondContact NH2-O 2.94Å
112Q96.8Very high95.6Very high113 Ų11361.6 Ų61.653%0.52827%0.274SS..Hα-helixtrans-65-47175.5-175.6174.83.500111.9A108 Q109 L110 L114 K115 Q116A108-Q112 PolarHBondContact O-N 2.79Å; Q109-Q112 WeakPolarHBondContact O-CB 3.22Å; Q109-Q112 PolarHBondContact O-N 3.19Å; Q109-Q112 VanDerWaalsContact O-N 3.16Å; L110-Q112 VanDerWaalsContact C-N 3.3Å; L110-Q112 PolarHBondContact O-N 2.72Å; Q112-L114 VanDerWaalsContact C-N 3.33Å; Q112-L114 PolarHBondContact O-N 2.79Å; Q112-K115 WeakPolarHBondContact O-CB 3.41Å; Q112-K115 PolarHBondContact O-N 3.03Å; Q112-K115 VanDerWaalsContact O-N 3.16Å; Q112-Q116 WeakPolarHBondContact O-CG 3.27Å; Q112-Q116 PolarHBondContact O-N 3.1Å
113L98.1Very high95.8Very high3 Ų358.9 Ų58.92%0.01627%0.27CS..Hα-helixtrans-57.9-45175.3-75.5170.6000111.4L94 F97 Q109 L110 K115 Q116 L117 C138 V146 P148L94-L113 HydrophobicContact CD1-CB 4.5Å; L94-L113 HydrophobicContact CD1-CD1 4.34Å; F97-L113 HydrophobicContact CD1-CD1 4.43Å; F97-L113 HydrophobicContact CD2-CD1 4.26Å; F97-L113 HydrophobicContact CE1-CD1 4.2Å; F97-L113 HydrophobicContact CE2-CD1 3.96Å; F97-L113 HydrophobicContact CG-CD1 4.49Å; F97-L113 HydrophobicContact CZ-CD1 3.97Å; Q109-L113 WeakPolarHBondContact O-CG 3.29Å; Q109-L113 PolarHBondContact O-N 3.12Å; L110-L113 PolarHBondContact O-N 3.17Å; L113-K115 VanDerWaalsContact C-N 3.35Å; L113-K115 PolarHBondContact O-N 3.02Å; L113-Q116 PolarHBondContact O-N 3.3Å; L113-L117 VanDerWaalsContact O-CB 3.31Å; L113-L117 WeakPolarHBondContact O-CB 3.27Å; L113-L117 PolarHBondContact O-N 2.91Å; L113-C138 HydrophobicContact CD1-CB 4.43Å; L113-V146 HydrophobicContact CD1-CG1 4.45Å; L113-V146 HydrophobicContact CD2-CB 4Å; L113-V146 HydrophobicContact CD2-CG1 3.8Å; L113-P148 HydrophobicContact CD2-CB 4.43Å; L113-P148 HydrophobicContact CD2-CG 4.49Å
114L98.4Very high96Very high13 Ų1356.2 Ų56.27%0.06826%0.261CS..Hα-helixtrans-62.8-40.9176.6-68.7172.6000111.9L94 L110 R111 Q112 K118 W178 F181 L187 L191L94-L114 HydrophobicContact CD2-CD2 3.97Å; L110-L114 HydrophobicContact CD1-CD1 4.41Å; L110-L114 HydrophobicContact CD1-CG 4.39Å; L110-L114 HydrophobicContact CG-CD1 4.24Å; L110-L114 VanDerWaalsContact O-CG 3.28Å; L110-L114 WeakPolarHBondContact O-CG 3.16Å; L110-L114 PolarHBondContact O-N 3.3Å; R111-L114 PolarHBondContact O-N 3.34Å; Q112-L114 VanDerWaalsContact C-N 3.33Å; Q112-L114 PolarHBondContact O-N 2.79Å; L114-K118 WeakPolarHBondContact O-CB 3.22Å; L114-K118 PolarHBondContact O-N 2.81Å; L114-W178 HydrophobicContact CB-CH2 4.36Å; L114-W178 HydrophobicContact CB-CZ2 4.27Å; L114-W178 HydrophobicContact CD2-CH2 4.32Å; L114-W178 WeakPolarHBondContact O-CH2 3.32Å; L114-F181 HydrophobicContact CD2-CE1 3.6Å; L114-F181 HydrophobicContact CD2-CZ 4.04Å; L114-L187 HydrophobicContact CD2-CD1 3.97Å; L114-L187 HydrophobicContact CD2-CD2 4.42Å; L114-L191 HydrophobicContact CD1-CD1 3.9Å; L114-L191 HydrophobicContact CD1-CD2 4.15Å; L114-L191 HydrophobicContact CD1-CG 4.5Å
115K97.9Very high96.2Very high165 Ų16556.7 Ų56.772%0.71726%0.259SS*.Hα-helixtrans-63.9-46.8176.2-176.5-179.9177.1-177.20111.5R111 Q112 L113 K118 R119R111-K115 WeakPolarHBondContact O-CB 3.31Å; R111-K115 PolarHBondContact O-N 2.86Å; Q112-K115 WeakPolarHBondContact O-CB 3.41Å; Q112-K115 PolarHBondContact O-N 3.03Å; Q112-K115 VanDerWaalsContact O-N 3.16Å; L113-K115 VanDerWaalsContact C-N 3.35Å; L113-K115 PolarHBondContact O-N 3.02Å; K115-K118 PolarHBondContact O-N 3.21Å; K115-R119 WeakPolarHBondContact O-CB 3.36Å; K115-R119 PolarHBondContact O-N 3.02Å
116Q98.3Very high96.4Very high62 Ų6253.2 Ų53.229%0.2924%0.242SC..Hα-helixtrans-61.5-45.9177.3-74.3176.7-4.300111.3Q112 L113 K118 R119 Y120 V146 P148Q112-Q116 WeakPolarHBondContact O-CG 3.27Å; Q112-Q116 PolarHBondContact O-N 3.1Å; L113-Q116 PolarHBondContact O-N 3.3Å; Q116-K118 PolarHBondContact O-N 2.83Å; Q116-R119 PolarHBondContact O-N 3.39Å; Q116-Y120 WeakPolarHBondContact O-CB 3.45Å; Q116-Y120 PolarHBondContact O-N 3.21Å; Q116-V146 PolarHBondContact OE1-O 2.63Å; Q116-V146 VanDerWaalsContact OE1-O 3.12Å; Q116-P148 HydrophobicContact CB-CG 4.12Å
117L98.4Very high96.4Very high1 Ų152.4 Ų52.41%0.00524%0.238CC..Hα-helixtrans-58.3-50.9176.5177.362.7000111.1L113 R119 Y120 L121 L131 I136 P148 V150 W178 F181L113-L117 VanDerWaalsContact O-CB 3.31Å; L113-L117 WeakPolarHBondContact O-CB 3.27Å; L113-L117 PolarHBondContact O-N 2.91Å; L117-R119 VanDerWaalsContact C-N 3.26Å; L117-R119 PolarHBondContact O-N 3.07Å; L117-Y120 PolarHBondContact O-N 3.4Å; L117-L121 HydrophobicContact CD1-CD1 4Å; L117-L121 HydrophobicContact CD1-CG 4.06Å; L117-L121 HydrophobicContact CG-CD1 4.07Å; L117-L121 HydrophobicContact CG-CG 4.47Å; L117-L121 VanDerWaalsContact O-CG 3.26Å; L117-L121 WeakPolarHBondContact O-CG 3.42Å; L117-L121 PolarHBondContact O-N 2.97Å; L117-L131 HydrophobicContact CD2-CD2 4.42Å; L117-I136 HydrophobicContact CD2-CD1 3.49Å; L117-I136 VanDerWaalsContact CD2-CD1 3.49Å; L117-I136 HydrophobicContact CD2-CG1 4.28Å; L117-I136 HydrophobicContact CD2-CG2 4.44Å; L117-P148 HydrophobicContact CB-CB 3.93Å; L117-P148 HydrophobicContact CB-CG 3.64Å; L117-P148 HydrophobicContact CD1-CB 4.25Å; L117-P148 HydrophobicContact CD1-CG 4.42Å; L117-V150 HydrophobicContact CD1-CG2 3.73Å; L117-W178 HydrophobicContact CB-CH2 4.43Å; L117-W178 HydrophobicContact CD2-CH2 4.24Å; L117-W178 HydrophobicContact CD2-CZ3 4.02Å; L117-W178 HydrophobicContact CG-CH2 4.4Å; L117-W178 HydrophobicContact CG-CZ3 4.11Å; L117-F181 HydrophobicContact CD2-CE1 3.88Å; L117-F181 HydrophobicContact CD2-CZ 3.86Å
118K97.9Very high96.4Very high55 Ų5552.5 Ų52.524%0.23924%0.239CC..Hα-helixtrans-57.4-45.1179.4-168172.1-172.3167.40110.6L114 K115 Q116 Q122 E175 W178L114-K118 WeakPolarHBondContact O-CB 3.22Å; L114-K118 PolarHBondContact O-N 2.81Å; K115-K118 PolarHBondContact O-N 3.21Å; Q116-K118 PolarHBondContact O-N 2.83Å; K118-Q122 WeakPolarHBondContact O-CB 3.42Å; K118-Q122 VanDerWaalsContact O-CG 3.25Å; K118-Q122 WeakPolarHBondContact O-CG 3.34Å; K118-Q122 PolarHBondContact O-N 2.83Å; K118-Q122 VanDerWaalsContact O-N 3.08Å; K118-E175 IonicContact NZ-OE2 2.75Å; K118-E175 PolarHBondContact NZ-OE2 2.77Å; K118-E175 VanDerWaalsContact NZ-OE2 3.08Å; K118-W178 HydrophobicContact CB-CD2 4.41Å; K118-W178 HydrophobicContact CB-CE3 4.23Å; K118-W178 HydrophobicContact CB-CH2 3.63Å; K118-W178 HydrophobicContact CB-CZ2 3.8Å; K118-W178 HydrophobicContact CB-CZ3 3.84Å; K118-W178 HydrophobicContact CD-CD2 3.95Å; K118-W178 HydrophobicContact CD-CG 4.27Å; K118-W178 HydrophobicContact CD-CZ2 4.11Å; K118-W178 HydrophobicContact CG-CD2 4.1Å; K118-W178 HydrophobicContact CG-CE3 4.17Å; K118-W178 HydrophobicContact CG-CH2 4.36Å; K118-W178 HydrophobicContact CG-CZ2 4.27Å; K118-W178 HydrophobicContact CG-CZ3 4.29Å
119R97.7Very high96.3Very high146 Ų14652.9 Ų52.955%0.55123%0.232SC*.Hα-helixtrans-64.3-49-178.9-173.565.3-172.8-179.210111.8K115 Q116 L117 L121 Q122 D123K115-R119 WeakPolarHBondContact O-CB 3.36Å; K115-R119 PolarHBondContact O-N 3.02Å; Q116-R119 PolarHBondContact O-N 3.39Å; L117-R119 VanDerWaalsContact C-N 3.26Å; L117-R119 PolarHBondContact O-N 3.07Å; R119-L121 VanDerWaalsContact C-N 3.35Å; R119-L121 PolarHBondContact O-N 3.32Å; R119-Q122 PolarHBondContact O-N 2.75Å; R119-D123 IonicContact CZ-OD1 3.72Å; R119-D123 IonicContact CZ-OD2 2.89Å; R119-D123 IonicContact NE-OD1 3.15Å; R119-D123 PolarHBondContact NE-OD1 2.84Å; R119-D123 VanDerWaalsContact NE-OD1 3.15Å; R119-D123 IonicContact NE-OD2 3.59Å; R119-D123 PolarHBondContact NE-OD2 2.82Å; R119-D123 IonicContact NH1-OD1 3.75Å; R119-D123 IonicContact NH2-OD1 2.77Å; R119-D123 PolarHBondContact NH2-OD1 2.87Å; R119-D123 VanDerWaalsContact NH2-OD1 3.12Å; R119-D123 IonicContact NH2-OD2 2.78Å; R119-D123 PolarHBondContact NH2-OD2 3.09Å; R119-D123 WeakPolarHBondContact O-CB 3.33Å; R119-D123 PolarHBondContact O-N 2.93Å
120Y98.1Very high96.1Very high21 Ų2153 Ų538%0.08224%0.236CC..Hα-helixtrans-57.4-47.3177.9177.8-90000111.4D59 G62 I63 Q116 L117 Q122 N124 I126D59-Y120 HydrophobicContact CB-CE2 4.49Å; D59-Y120 PolarHBondContact O-OH 3.3Å; D59-Y120 WeakPolarHBondContact OD2-CE2 3.42Å; G62-Y120 VanDerWaalsContact CA-CE1 3.47Å; G62-Y120 VanDerWaalsContact N-CE2 3.33Å; G62-Y120 PolarHBondContact N-OH 3.12Å; I63-Y120 HydrophobicContact CD1-CE1 4.36Å; I63-Y120 HydrophobicContact CG1-CE1 4.09Å; Q116-Y120 WeakPolarHBondContact O-CB 3.45Å; Q116-Y120 PolarHBondContact O-N 3.21Å; L117-Y120 PolarHBondContact O-N 3.4Å; Y120-Q122 VanDerWaalsContact C-N 3.33Å; Y120-Q122 PolarHBondContact O-N 3.44Å; Y120-N124 WeakPolarHBondContact CD2-ND2 3.44Å; Y120-N124 WeakPolarHBondContact CE2-ND2 3.45Å; Y120-N124 VanDerWaalsContact O-CB 3.29Å; Y120-N124 WeakPolarHBondContact O-CB 3.46Å; Y120-N124 PolarHBondContact O-N 3.33Å; Y120-N124 PolarHBondContact O-ND2 3.44Å; Y120-I126 HydrophobicContact CD1-CG1 4.39Å; Y120-I126 HydrophobicContact CE1-CG1 3.95Å
121L96.8Very high96Very high9 Ų953.6 Ų53.65%0.04724%0.239CC..Hα-helixtrans-60.7-41.8178.5-66.8176.3000111.9L117 R119 R125 I126 L131 V150 Q174L117-L121 HydrophobicContact CD1-CD1 4Å; L117-L121 HydrophobicContact CD1-CG 4.06Å; L117-L121 HydrophobicContact CG-CD1 4.07Å; L117-L121 HydrophobicContact CG-CG 4.47Å; L117-L121 VanDerWaalsContact O-CG 3.26Å; L117-L121 WeakPolarHBondContact O-CG 3.42Å; L117-L121 PolarHBondContact O-N 2.97Å; R119-L121 VanDerWaalsContact C-N 3.35Å; R119-L121 PolarHBondContact O-N 3.32Å; L121-R125 CarbonylContact O-C 3.58Å; L121-R125 VanDerWaalsContact O-CA 3.31Å; L121-R125 WeakPolarHBondContact O-CA 3.44Å; L121-R125 PolarHBondContact O-N 3.09Å; L121-I126 HydrophobicContact CD2-CB 3.58Å; L121-I126 HydrophobicContact CD2-CG1 4.23Å; L121-I126 HydrophobicContact CD2-CG2 3.6Å; L121-I126 PolarHBondContact O-N 2.8Å; L121-L131 HydrophobicContact CD1-CD1 4.34Å; L121-L131 HydrophobicContact CD1-CD2 4.01Å; L121-V150 HydrophobicContact CD2-CG2 4.2Å; L121-Q174 PolarHBondContact O-NE2 3.32Å
122Q95.6Very high96Very high62 Ų6251.5 Ų51.529%0.2923%0.234SC..Hα-helixtrans-70.9-49.1-178.6-73.9177.4-25.100112.5K118 R119 Y120 R125 L171K118-Q122 WeakPolarHBondContact O-CB 3.42Å; K118-Q122 VanDerWaalsContact O-CG 3.25Å; K118-Q122 WeakPolarHBondContact O-CG 3.34Å; K118-Q122 PolarHBondContact O-N 2.83Å; K118-Q122 VanDerWaalsContact O-N 3.08Å; R119-Q122 PolarHBondContact O-N 2.75Å; Y120-Q122 VanDerWaalsContact C-N 3.33Å; Y120-Q122 PolarHBondContact O-N 3.44Å; Q122-R125 PolarHBondContact O-N 2.84Å; Q122-L171 HydrophobicContact CB-CD2 4.15Å; Q122-L171 HydrophobicContact CG-CD2 3.96Å
123D95.3Very high96Very high84 Ų8446.1 Ų46.145%0.44921%0.209SC..Hα-helixtrans-66.1-42.8-176.4-74.8-1.1000110.9R119 R125R119-D123 IonicContact CZ-OD1 3.72Å; R119-D123 IonicContact CZ-OD2 2.89Å; R119-D123 IonicContact NE-OD1 3.15Å; R119-D123 PolarHBondContact NE-OD1 2.84Å; R119-D123 VanDerWaalsContact NE-OD1 3.15Å; R119-D123 IonicContact NE-OD2 3.59Å; R119-D123 PolarHBondContact NE-OD2 2.82Å; R119-D123 IonicContact NH1-OD1 3.75Å; R119-D123 IonicContact NH2-OD1 2.77Å; R119-D123 PolarHBondContact NH2-OD1 2.87Å; R119-D123 VanDerWaalsContact NH2-OD1 3.12Å; R119-D123 IonicContact NH2-OD2 2.78Å; R119-D123 PolarHBondContact NH2-OD2 3.09Å; R119-D123 WeakPolarHBondContact O-CB 3.33Å; R119-D123 PolarHBondContact O-N 2.93Å; D123-R125 VanDerWaalsContact C-N 3.32Å; D123-R125 PolarHBondContact O-N 3.24Å
124N95.8Very high95.8Very high29 Ų2950 Ų5016%0.15523%0.227CC..THydrogen-bonded Turntrans-85.8-1.8178.6-68.2-59000113.6R56 L57 Y120 I126R56-N124 PolarHBondContact NH1-O 3.42Å; R56-N124 PolarHBondContact NH2-O 3.07Å; L57-N124 HydrophobicContact CD1-CB 3.68Å; L57-N124 WeakPolarHBondContact CD1-OD1 3.49Å; Y120-N124 WeakPolarHBondContact CD2-ND2 3.44Å; Y120-N124 WeakPolarHBondContact CE2-ND2 3.45Å; Y120-N124 VanDerWaalsContact O-CB 3.29Å; Y120-N124 WeakPolarHBondContact O-CB 3.46Å; Y120-N124 PolarHBondContact O-N 3.33Å; Y120-N124 PolarHBondContact O-ND2 3.44Å; N124-I126 VanDerWaalsContact C-N 3.27Å; N124-I126 HydrophobicContact CB-CD1 3.82Å; N124-I126 HydrophobicContact CB-CG1 3.81Å; N124-I126 PolarHBondContact O-N 3.31Å
125R94.5Very high95.6Very high117 Ų11750.7 Ų50.744%0.44223%0.23SC..THydrogen-bonded Turntrans50.448.3-178.5-53.4177.1-164.61655.1111.6R56 L121 Q122 D123R56-R125 PolarHBondContact NH2-O 3.43Å; R56-R125 VanDerWaalsContact NH2-O 3.12Å; L121-R125 CarbonylContact O-C 3.58Å; L121-R125 VanDerWaalsContact O-CA 3.31Å; L121-R125 WeakPolarHBondContact O-CA 3.44Å; L121-R125 PolarHBondContact O-N 3.09Å; Q122-R125 PolarHBondContact O-N 2.84Å; D123-R125 VanDerWaalsContact C-N 3.32Å; D123-R125 PolarHBondContact O-N 3.24Å
126I95.6Very high95.6Very high1 Ų142.9 Ų42.91%0.00520%0.196CC..  trans-77.4126.8179.3-57.3-53.5000109.2L53 L57 I63 Y120 L121 N124 T128 Q174L53-I126 HydrophobicContact CD1-CD1 4.49Å; L53-I126 HydrophobicContact CD2-CD1 3.95Å; L57-I126 HydrophobicContact CD1-CD1 4.21Å; L57-I126 HydrophobicContact CD2-CD1 4.29Å; I63-I126 HydrophobicContact CD1-CB 4.32Å; I63-I126 HydrophobicContact CD1-CD1 3.55Å; I63-I126 HydrophobicContact CD1-CG1 3.82Å; I63-I126 HydrophobicContact CD1-CG2 3.54Å; Y120-I126 HydrophobicContact CD1-CG1 4.39Å; Y120-I126 HydrophobicContact CE1-CG1 3.95Å; L121-I126 HydrophobicContact CD2-CB 3.58Å; L121-I126 HydrophobicContact CD2-CG1 4.23Å; L121-I126 HydrophobicContact CD2-CG2 3.6Å; L121-I126 PolarHBondContact O-N 2.8Å; N124-I126 VanDerWaalsContact C-N 3.27Å; N124-I126 HydrophobicContact CB-CD1 3.82Å; N124-I126 HydrophobicContact CB-CG1 3.81Å; N124-I126 PolarHBondContact O-N 3.31Å; I126-T128 HydrophobicContact CG2-CG2 4.3Å; I126-Q174 PolarHBondContact O-NE2 2.92Å
127V93.2Very high95.6Very high2 Ų241.5 Ų41.51%0.01219%0.191CC..  trans-104.8128.4178.6-175.30000107.7Y49 G155 E156 A163 K173Y49-V127 HydrophobicContact CE2-CB 4.05Å; Y49-V127 HydrophobicContact CE2-CG2 4.43Å; Y49-V127 PolarHBondContact OH-N 3.45Å; V127-G155 WeakPolarHBondContact O-CA 3.43Å; V127-G155 PolarHBondContact O-N 3.12Å; V127-E156 HydrophobicContact CG1-CB 3.9Å; V127-A163 HydrophobicContact CG1-CB 4Å; V127-A163 HydrophobicContact CG2-CB 4.07Å; V127-A163 WeakPolarHBondContact CG2-O 3.48Å; V127-K173 HydrophobicContact CG1-CD 4.2Å
128T93.6Very high95.6Very high6 Ų641.6 Ų41.64%0.03719%0.191CC..BIsolated β-bridgetrans-119.6158.117261.30000110.1I126 V150 N153 G155 K173I126-T128 HydrophobicContact CG2-CG2 4.3Å; T128-V150 HydrophobicContact CG2-CG1 4.28Å; T128-N153 CarbonylContact C-O 3.46Å; T128-N153 VanDerWaalsContact CA-O 3.24Å; T128-N153 WeakPolarHBondContact CA-O 3.14Å; T128-N153 WeakPolarHBondContact CB-O 3.3Å; T128-G155 CarbonylContact C-O 3.58Å; T128-K173 VanDerWaalsContact O-CE 3.26Å; T128-K173 WeakPolarHBondContact O-CE 3.46Å; T128-K173 PolarHBondContact O-NZ 3.13Å
129M92.1Very high95.6Very high63 Ų6340.8 Ų40.831%0.3119%0.188SC..SBendtrans-74.7-45.4171.3-71.4-172.359.300110.9R45 N153 G155 S157R45-M129 VanDerWaalsContact CD-SD 3.52Å; R45-M129 PolarHBondContact NE-SD 2.58Å; R45-M129 PolarHBondContact NH2-SD 3.29Å; R45-M129 VanDerWaalsContact NH2-SD 3.44Å; M129-N153 HydrophobicContact CB-CB 4.34Å; M129-N153 PolarHBondContact N-O 3.4Å; M129-G155 WeakPolarHBondContact CG-O 3.27Å; M129-G155 PolarHBondContact N-O 3.47Å; M129-G155 VanDerWaalsContact N-O 3.14Å; M129-S157 WeakPolarHBondContact CE-OG 3.47Å
130S91.3Very high95.6Very high34 Ų3435.5 Ų35.524%0.23817%0.168CC..  trans-146.5151.117460.20000108.5N153S130-N153 PolarHBondContact OG-ND2 2.82Å
131L94.3Very high95.4Very high12 Ų1237.8 Ų37.86%0.06318%0.182CC..  trans-111.7122.8171.3-164.866.3000107.6L117 L121 I136 V150 W178 F181 Q184L117-L131 HydrophobicContact CD2-CD2 4.42Å; L121-L131 HydrophobicContact CD1-CD1 4.34Å; L121-L131 HydrophobicContact CD1-CD2 4.01Å; L131-I136 HydrophobicContact CD1-CD1 3.89Å; L131-I136 HydrophobicContact CD1-CG1 4.35Å; L131-I136 HydrophobicContact CG-CD1 4.11Å; L131-V150 HydrophobicContact CD1-CG2 4.32Å; L131-W178 HydrophobicContact CD2-CE3 3.94Å; L131-W178 HydrophobicContact CD2-CZ3 3.96Å; L131-F181 HydrophobicContact CB-CB 4.23Å; L131-F181 HydrophobicContact CB-CD2 4.1Å; L131-F181 HydrophobicContact CB-CG 4.22Å; L131-F181 HydrophobicContact CD2-CB 4.09Å; L131-F181 HydrophobicContact CD2-CD1 3.64Å; L131-F181 HydrophobicContact CD2-CD2 3.99Å; L131-F181 HydrophobicContact CD2-CE1 3.96Å; L131-F181 HydrophobicContact CD2-CE2 4.28Å; L131-F181 HydrophobicContact CD2-CG 3.63Å; L131-F181 HydrophobicContact CD2-CZ 4.27Å; L131-F181 HydrophobicContact CG-CB 4.36Å; L131-F181 HydrophobicContact CG-CD1 4.28Å; L131-F181 HydrophobicContact CG-CD2 3.69Å; L131-F181 HydrophobicContact CG-CE1 4.49Å; L131-F181 HydrophobicContact CG-CE2 3.94Å; L131-F181 HydrophobicContact CG-CG 3.86Å; L131-F181 HydrophobicContact CG-CZ 4.33Å; L131-Q184 PolarHBondContact O-NE2 2.85Å
132K95.7Very high95.4Very high84 Ų8439.2 Ų39.237%0.36519%0.192SC..  trans-135.5141.1177.9-49.7-172178.7178.80110.8Q134 N135K132-Q134 VanDerWaalsContact C-N 3.25Å; K132-Q134 HydrophobicContact CB-CG 4.38Å; K132-Q134 PolarHBondContact O-N 3.01Å; K132-N135 PolarHBondContact O-N 3.42Å
133P97Very high95.2Very high0 Ų044.3 Ų44.30%022%0.216CC..G310 helixtrans-60.2-34-175.4-22.232.7000112.9L94 T95 N135 I136 F181 Q184 L187L94-P133 HydrophobicContact CB-CB 4.11Å; L94-P133 WeakPolarHBondContact CB-O 3.31Å; L94-P133 HydrophobicContact CD2-CB 4.27Å; L94-P133 HydrophobicContact CG-CB 4.35Å; L94-P133 PolarHBondContact N-O 2.76Å; T95-P133 WeakPolarHBondContact OG1-CB 3.41Å; P133-N135 PolarHBondContact O-N 2.89Å; P133-N135 VanDerWaalsContact O-N 3.15Å; P133-I136 PolarHBondContact O-N 2.97Å; P133-I136 VanDerWaalsContact O-N 3.12Å; P133-I136 VanDerWaalsContact O-O 3.13Å; P133-F181 HydrophobicContact CB-CE2 4.26Å; P133-F181 HydrophobicContact CG-CD2 4.18Å; P133-F181 HydrophobicContact CG-CE2 3.68Å; P133-Q184 HydrophobicContact CG-CB 4.29Å; P133-L187 HydrophobicContact CB-CD1 4.49Å; P133-L187 HydrophobicContact CB-CG 4.32Å; P133-L187 HydrophobicContact CG-CD1 3.73Å; P133-L187 HydrophobicContact CG-CD2 4.48Å; P133-L187 HydrophobicContact CG-CG 3.74Å
134Q94.8Very high95Very high84 Ų8445.6 Ų45.639%0.39323%0.232SC..G310 helixtrans-66.5-15.8176.767.9-9343.400114.1T93 T95 K132T93-Q134 WeakPolarHBondContact CG2-O 3.39Å; T95-Q134 WeakPolarHBondContact OG1-CA 3.47Å; T95-Q134 PolarHBondContact OG1-N 3.46Å; K132-Q134 VanDerWaalsContact C-N 3.25Å; K132-Q134 HydrophobicContact CB-CG 4.38Å; K132-Q134 PolarHBondContact O-N 3.01Å
135N94.7Very high94.9Very high28 Ų2848.7 Ų48.715%0.1525%0.245CC..G310 helixtrans-100.35.7179.5-73.511.2000112.4K132 P133 C151 D152 N153K132-N135 PolarHBondContact O-N 3.42Å; P133-N135 PolarHBondContact O-N 2.89Å; P133-N135 VanDerWaalsContact O-N 3.15Å; N135-C151 PolarHBondContact O-N 3.43Å; N135-D152 HydrophobicContact CB-CB 4.12Å; N135-D152 WeakPolarHBondContact ND2-CB 3.49Å; N135-D152 PolarHBondContact ND2-OD2 3.16Å; N135-N153 PolarHBondContact ND2-ND2 2.84Å
136I97.7Very high95Very high0 Ų043.7 Ų43.70%023%0.227CC..EExtended strand (participates in β ladder)trans-116.7123.6177.6-63.6152.4000107T93 L94 L117 L131 P133 P148 V149 V150 F181T93-I136 CarbonylContact C-O 3.57Å; T93-I136 VanDerWaalsContact CA-O 3.31Å; T93-I136 WeakPolarHBondContact CA-O 3.48Å; L94-I136 HydrophobicContact CB-CB 4.1Å; L94-I136 HydrophobicContact CB-CG2 4.23Å; L94-I136 HydrophobicContact CD2-CB 4.44Å; L94-I136 HydrophobicContact CD2-CD1 4.11Å; L94-I136 HydrophobicContact CD2-CG2 4.35Å; L94-I136 PolarHBondContact N-O 2.92Å; L117-I136 HydrophobicContact CD2-CD1 3.49Å; L117-I136 VanDerWaalsContact CD2-CD1 3.49Å; L117-I136 HydrophobicContact CD2-CG1 4.28Å; L117-I136 HydrophobicContact CD2-CG2 4.44Å; L131-I136 HydrophobicContact CD1-CD1 3.89Å; L131-I136 HydrophobicContact CD1-CG1 4.35Å; L131-I136 HydrophobicContact CG-CD1 4.11Å; P133-I136 PolarHBondContact O-N 2.97Å; P133-I136 VanDerWaalsContact O-N 3.12Å; P133-I136 VanDerWaalsContact O-O 3.13Å; I136-P148 HydrophobicContact CG2-CB 3.94Å; I136-V149 CarbonylContact C-O 3.21Å; I136-V149 VanDerWaalsContact CA-O 3.3Å; I136-V149 WeakPolarHBondContact CA-O 3.38Å; I136-V150 HydrophobicContact CG1-CG2 4.22Å; I136-F181 HydrophobicContact CD1-CE1 4.42Å; I136-F181 HydrophobicContact CD1-CE2 3.42Å; I136-F181 VanDerWaalsContact CD1-CE2 3.42Å; I136-F181 HydrophobicContact CD1-CZ 3.34Å
137L97.2Very high95.1Very high34 Ų3445 Ų4518%0.17823%0.234CC..EExtended strand (participates in β ladder)trans-95.1141.4174.5-61-179000109.9I83 I92 T93 H139 P148 V149 C151I83-L137 HydrophobicContact CB-CD1 3.66Å; I83-L137 HydrophobicContact CG1-CD1 4.21Å; I83-L137 HydrophobicContact CG2-CB 3.97Å; I83-L137 HydrophobicContact CG2-CD1 3.9Å; I92-L137 CarbonylContact O-C 3.54Å; I92-L137 WeakPolarHBondContact O-CA 3.43Å; T93-L137 HydrophobicContact CG2-CD2 3.77Å; L137-H139 PolarHBondContact O-N 3.17Å; L137-P148 CarbonylContact O-C 3.59Å; L137-P148 WeakPolarHBondContact O-CA 3.32Å; L137-V149 PolarHBondContact N-O 3.35Å; L137-V149 PolarHBondContact O-N 3.01Å; L137-C151 VanDerWaalsContact CD1-SG 3.57Å
138C98.1Very high95.4Very high2 Ų245.1 Ų45.11%0.01424%0.235CC..EExtended strand (participates in β ladder)trans-92.383.3174.8-62.90000108.4I92 L94 F97 L113 R140 V146I92-C138 HydrophobicContact CG1-CB 4.41Å; I92-C138 PolarHBondContact O-N 2.89Å; L94-C138 VanDerWaalsContact CD1-SG 3.6Å; F97-C138 HydrophobicContact CD2-CB 4.24Å; L113-C138 HydrophobicContact CD1-CB 4.43Å; C138-R140 PolarHBondContact O-N 3.26Å; C138-V146 HydrophobicContact CB-CG1 3.91Å
139H97.9Very high95.6Very high38 Ų3844.9 Ų44.918%0.17623%0.233CC..EExtended strand (participates in β ladder)trans-78.1107.5-172.3-177.2-163.7000111.4I83 A84 S91 L137 I141 V146 I147 V149I83-H139 HydrophobicContact CG2-CB 3.61Å; A84-H139 PolarHBondContact O-CD2 2.77Å; A84-H139 VanDerWaalsContact O-CD2 3.26Å; A84-H139 PolarHBondContact O-NE2 3.31Å; S91-H139 WeakPolarHBondContact OG-CA 3.42Å; L137-H139 PolarHBondContact O-N 3.17Å; H139-I141 PolarHBondContact O-N 2.86Å; H139-V146 CarbonylContact O-C 3.5Å; H139-V146 VanDerWaalsContact O-CA 3.31Å; H139-V146 WeakPolarHBondContact O-CA 3.38Å; H139-I147 WeakPolarHBondContact CB-O 3.27Å; H139-I147 PolarHBondContact N-O 2.98Å; H139-I147 PolarHBondContact O-N 2.85Å; H139-V149 HydrophobicContact CB-CG2 3.61Å
140R97.3Very high95.9Very high35 Ų3542 Ų4213%0.13222%0.219CC..EExtended strand (participates in β ladder)trans-78.696.7174.3-64.9166.341.7163-7.6109.4D85 F86 C138 S142 E145 V146 L205D85-R140 CarbonylContact C-O 3.54Å; D85-R140 WeakPolarHBondContact CA-O 3.44Å; D85-R140 HydrophobicContact CB-CB 3.92Å; D85-R140 WeakPolarHBondContact OD1-CB 3.37Å; D85-R140 PolarHBondContact OD1-N 3.04Å; D85-R140 WeakPolarHBondContact OD2-CD 3.43Å; F86-R140 HydrophobicContact CD1-CB 3.96Å; F86-R140 WeakPolarHBondContact CD1-O 3.3Å; F86-R140 HydrophobicContact CE1-CB 4.19Å; F86-R140 PolarHBondContact N-O 3.1Å; C138-R140 PolarHBondContact O-N 3.26Å; R140-S142 VanDerWaalsContact C-N 3.29Å; R140-E145 CarbonylContact C-O 3.5Å; R140-E145 WeakPolarHBondContact CA-O 3.33Å; R140-V146 HydrophobicContact CG-CG1 4.23Å; R140-V146 HydrophobicContact CG-CG2 3.84Å; R140-L205 HydrophobicContact CG-CD1 4.23Å; R140-L205 PolarHBondContact NH1-O 3.37Å
141I95.7Very high96Very high70 Ų7041.5 Ų41.536%0.35922%0.216SC..SBendtrans-79.1-17.5177.959.6161.2000112.5H139 E145 I147H139-I141 PolarHBondContact O-N 2.86Å; I141-E145 HydrophobicContact CD1-CB 4.32Å; I141-E145 VanDerWaalsContact CD1-CD 3.46Å; I141-E145 HydrophobicContact CD1-CG 3.86Å; I141-E145 WeakPolarHBondContact CD1-OE2 3.31Å; I141-E145 HydrophobicContact CG1-CB 3.9Å; I141-E145 HydrophobicContact CG1-CG 3.81Å; I141-E145 PolarHBondContact N-O 2.89Å; I141-I147 HydrophobicContact CD1-CD1 3.53Å; I141-I147 HydrophobicContact CD1-CG1 4.2Å; I141-I147 HydrophobicContact CG1-CD1 4.19Å; I141-I147 HydrophobicContact CG1-CG1 4.4Å; I141-I147 HydrophobicContact CG2-CD1 4.38Å
142S96Very high95.7Very high38 Ų3843 Ų4327%0.26622%0.224SC..SBendtrans-151.3178.4170.774.30000110.2F86 R140 S144 E145F86-S142 VanDerWaalsContact CD1-O 3.27Å; F86-S142 WeakPolarHBondContact CD1-O 3.49Å; F86-S142 VanDerWaalsContact CE1-O 3.22Å; F86-S142 WeakPolarHBondContact CE1-O 3.32Å; R140-S142 VanDerWaalsContact C-N 3.29Å; S142-S144 PolarHBondContact O-N 3.36Å; S142-S144 PolarHBondContact OG-N 3.48Å; S142-E145 PolarHBondContact N-O 2.78Å; S142-E145 WeakPolarHBondContact OG-CB 3.48Å; S142-E145 PolarHBondContact OG-N 2.92Å; S142-E145 VanDerWaalsContact OG-N 3.07Å
143E91.6Very high95.4Very high170 Ų17040.3 Ų40.379%0.79421%0.214SC*.SBendtrans-58.2-27.3174.9-71.2-178.3-166.700113.4F86F86-E143 HydrophobicContact CE1-CB 4.47Å; F86-E143 HydrophobicContact CE1-CG 4.14Å; F86-E143 HydrophobicContact CE2-CG 3.77Å; F86-E143 HydrophobicContact CZ-CB 4.21Å; F86-E143 HydrophobicContact CZ-CG 3.46Å; F86-E143 VanDerWaalsContact CZ-CG 3.46Å
144S90.4Very high95Very high111 Ų11140.4 Ų40.478%0.77621%0.214SC*.SBendtrans-114.2-11-17460.70000114.2S142S142-S144 PolarHBondContact O-N 3.36Å; S142-S144 PolarHBondContact OG-N 3.48Å
145E94.5Very high94.6Very high93 Ų9336.4 Ų36.444%0.43520%0.195SC..  trans-121.6127.7-173.4-169.4172.4-168.700112.4R140 I141 S142R140-E145 CarbonylContact C-O 3.5Å; R140-E145 WeakPolarHBondContact CA-O 3.33Å; I141-E145 HydrophobicContact CD1-CB 4.32Å; I141-E145 VanDerWaalsContact CD1-CD 3.46Å; I141-E145 HydrophobicContact CD1-CG 3.86Å; I141-E145 WeakPolarHBondContact CD1-OE2 3.31Å; I141-E145 HydrophobicContact CG1-CB 3.9Å; I141-E145 HydrophobicContact CG1-CG 3.81Å; I141-E145 PolarHBondContact N-O 2.89Å; S142-E145 PolarHBondContact N-O 2.78Å; S142-E145 WeakPolarHBondContact OG-CB 3.48Å; S142-E145 PolarHBondContact OG-N 2.92Å; S142-E145 VanDerWaalsContact OG-N 3.07Å
146V96.9Very high94Very high12 Ų1236.4 Ų36.47%0.07319%0.194CC..EExtended strand (participates in β ladder)trans-127.8128.7179.1-166.30000108.8L113 Q116 C138 H139 R140 L205L113-V146 HydrophobicContact CD1-CG1 4.45Å; L113-V146 HydrophobicContact CD2-CB 4Å; L113-V146 HydrophobicContact CD2-CG1 3.8Å; Q116-V146 PolarHBondContact OE1-O 2.63Å; Q116-V146 VanDerWaalsContact OE1-O 3.12Å; C138-V146 HydrophobicContact CB-CG1 3.91Å; H139-V146 CarbonylContact O-C 3.5Å; H139-V146 VanDerWaalsContact O-CA 3.31Å; H139-V146 WeakPolarHBondContact O-CA 3.38Å; R140-V146 HydrophobicContact CG-CG1 4.23Å; R140-V146 HydrophobicContact CG-CG2 3.84Å; V146-L205 HydrophobicContact CG2-CD1 4.14Å
147I97.9Very high93Very high30 Ų3040.1 Ų40.115%0.15422%0.22CC..EExtended strand (participates in β ladder)trans-116.1132-179.7-62.6-179.7000109.4H139 I141H139-I147 WeakPolarHBondContact CB-O 3.27Å; H139-I147 PolarHBondContact N-O 2.98Å; H139-I147 PolarHBondContact O-N 2.85Å; I141-I147 HydrophobicContact CD1-CD1 3.53Å; I141-I147 HydrophobicContact CD1-CG1 4.2Å; I141-I147 HydrophobicContact CG1-CD1 4.19Å; I141-I147 HydrophobicContact CG1-CG1 4.4Å; I141-I147 HydrophobicContact CG2-CD1 4.38Å
148P98.5Very high92.1Very high3 Ų341.8 Ų41.82%0.01923%0.232CC..EExtended strand (participates in β ladder)trans-77.9124.5174.931.5-34.1000111.4L113 Q116 L117 I136 L137L113-P148 HydrophobicContact CD2-CB 4.43Å; L113-P148 HydrophobicContact CD2-CG 4.49Å; Q116-P148 HydrophobicContact CB-CG 4.12Å; L117-P148 HydrophobicContact CB-CB 3.93Å; L117-P148 HydrophobicContact CB-CG 3.64Å; L117-P148 HydrophobicContact CD1-CB 4.25Å; L117-P148 HydrophobicContact CD1-CG 4.42Å; I136-P148 HydrophobicContact CG2-CB 3.94Å; L137-P148 CarbonylContact O-C 3.59Å; L137-P148 WeakPolarHBondContact O-CA 3.32Å
149V98.5Very high90.8Very high1 Ų150.1 Ų50.11%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-118116.9-176.4-1710000111.4S61 P64 I83 I136 L137 H139 C151S61-V149 WeakPolarHBondContact O-CG2 3.15Å; P64-V149 HydrophobicContact CG-CG1 4.18Å; I83-V149 HydrophobicContact CD1-CG1 3.79Å; I83-V149 HydrophobicContact CG1-CB 4.49Å; I83-V149 HydrophobicContact CG1-CG1 3.94Å; I83-V149 HydrophobicContact CG2-CB 4.24Å; I83-V149 HydrophobicContact CG2-CG2 4.09Å; I136-V149 CarbonylContact C-O 3.21Å; I136-V149 VanDerWaalsContact CA-O 3.3Å; I136-V149 WeakPolarHBondContact CA-O 3.38Å; L137-V149 PolarHBondContact N-O 3.35Å; L137-V149 PolarHBondContact O-N 3.01Å; H139-V149 HydrophobicContact CB-CG2 3.61Å; V149-C151 PolarHBondContact O-N 3.06Å
150V97.5Very high89.9Confident2 Ų253.1 Ų53.11%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-79.6116.8176.6-1750000109.6G62 P64 L117 L121 T128 L131 I136 I154G62-V150 PolarHBondContact O-N 3.36Å; P64-V150 WeakPolarHBondContact CD-O 3.17Å; L117-V150 HydrophobicContact CD1-CG2 3.73Å; L121-V150 HydrophobicContact CD2-CG2 4.2Å; T128-V150 HydrophobicContact CG2-CG1 4.28Å; L131-V150 HydrophobicContact CD1-CG2 4.32Å; I136-V150 HydrophobicContact CG1-CG2 4.22Å; V150-I154 HydrophobicContact CG1-CD1 4.37Å; V150-I154 HydrophobicContact CG1-CG1 4.03Å; V150-I154 WeakPolarHBondContact O-CD1 3.48Å
151C92.8Very high89.2Confident25 Ų2552.1 Ų52.117%0.16929%0.29CS..  trans-106.5-9.3-172.3-67.50000114.8K30 P64 N135 L137 V149K30-C151 PolarHBondContact NZ-O 2.86Å; P64-C151 HydrophobicContact CG-CB 4.41Å; N135-C151 PolarHBondContact O-N 3.43Å; L137-C151 VanDerWaalsContact CD1-SG 3.57Å; V149-C151 PolarHBondContact O-N 3.06Å
152D88.8Confident88.7Confident42 Ų4253.1 Ų53.123%0.22530%0.296CS..SBendtrans-151.4163.2-173.6-177.635.6000112.4R16 N135 I154R16-D152 IonicContact NH2-OD1 2.79Å; N135-D152 HydrophobicContact CB-CB 4.12Å; N135-D152 WeakPolarHBondContact ND2-CB 3.49Å; N135-D152 PolarHBondContact ND2-OD2 3.16Å; D152-I154 PolarHBondContact O-N 3.25Å
153N89.3Confident88.1Confident29 Ų2951.7 Ų51.716%0.15529%0.286CS..SBendtrans59.430.3-178.5-72.1-53.2000114.4T128 M129 S130 N135T128-N153 CarbonylContact C-O 3.46Å; T128-N153 VanDerWaalsContact CA-O 3.24Å; T128-N153 WeakPolarHBondContact CA-O 3.14Å; T128-N153 WeakPolarHBondContact CB-O 3.3Å; M129-N153 HydrophobicContact CB-CB 4.34Å; M129-N153 PolarHBondContact N-O 3.4Å; S130-N153 PolarHBondContact OG-ND2 2.82Å; N135-N153 PolarHBondContact ND2-ND2 2.84Å
154I88.6Confident87.7Confident2 Ų244.6 Ų44.61%0.0125%0.254CS..BIsolated β-bridgetrans-79.3142176.8-49.6-179.3000110.1Y49 I63 V150 D152Y49-I154 HydrophobicContact CD1-CG2 3.41Å; Y49-I154 VanDerWaalsContact CD1-CG2 3.41Å; Y49-I154 HydrophobicContact CE1-CG2 3.37Å; I63-I154 HydrophobicContact CB-CD1 4.3Å; I63-I154 HydrophobicContact CD1-CD1 4.23Å; I63-I154 HydrophobicContact CD1-CG2 4.41Å; I63-I154 HydrophobicContact CG1-CD1 4.08Å; I63-I154 HydrophobicContact CG2-CD1 3.38Å; V150-I154 HydrophobicContact CG1-CD1 4.37Å; V150-I154 HydrophobicContact CG1-CG1 4.03Å; V150-I154 WeakPolarHBondContact O-CD1 3.48Å; D152-I154 PolarHBondContact O-N 3.25Å
155G86.5Confident87.4Confident0 Ų047.8 Ų47.80%025%0.249CC..SBendtrans95.3-173.7-178.200000113.7Y49 V127 T128 M129Y49-G155 VanDerWaalsContact CG-CA 3.4Å; V127-G155 WeakPolarHBondContact O-CA 3.43Å; V127-G155 PolarHBondContact O-N 3.12Å; T128-G155 CarbonylContact C-O 3.58Å; M129-G155 WeakPolarHBondContact CG-O 3.27Å; M129-G155 PolarHBondContact N-O 3.47Å; M129-G155 VanDerWaalsContact N-O 3.14Å
156E82.8Confident87.1Confident28 Ų2845.4 Ų45.413%0.13124%0.243CC..  trans-125.8137.7-174.8-179.4155.7-120.300110.5R45 V127 T158 P161 A163 K173R45-E156 WeakPolarHBondContact CG-O 3.45Å; V127-E156 HydrophobicContact CG1-CB 3.9Å; E156-T158 HydrophobicContact CG-CG2 4.01Å; E156-T158 WeakPolarHBondContact CG-OG1 3.3Å; E156-P161 HydrophobicContact CG-CB 4.45Å; E156-P161 WeakPolarHBondContact OE2-CA 3.1Å; E156-A163 WeakPolarHBondContact OE2-CB 3.48Å; E156-A163 PolarHBondContact OE2-N 2.55Å; E156-K173 IonicContact OE1-NZ 3.08Å; E156-K173 PolarHBondContact OE1-NZ 3.45Å
157S76.6Confident86.8Confident78 Ų7850.6 Ų50.655%0.54527%0.265SS..  trans-97.62.2179.358.90000113.8M129M129-S157 WeakPolarHBondContact CE-OG 3.47Å
158T78.5Confident86.6Confident69 Ų6957.4 Ų57.442%0.42329%0.288SS..SBendtrans-77.8148.2-177.161.80000111.3E156 I160E156-T158 HydrophobicContact CG-CG2 4.01Å; E156-T158 WeakPolarHBondContact CG-OG1 3.3Å; T158-I160 VanDerWaalsContact C-N 3.28Å; T158-I160 PolarHBondContact O-N 3.37Å; T158-I160 PolarHBondContact OG1-O 2.89Å
159L70.7Confident86.3Confident177 Ų17758.6 Ų58.693%0.92730%0.297SS*.SBendtrans-58.2-43.2179-176.465.9000111.7
160I79.2Confident86Confident100 Ų10058.7 Ų58.751%0.51330%0.297SS..SBendtrans-108.2108.7172.5-52177.5000107.2T158 L162 W165T158-I160 VanDerWaalsContact C-N 3.28Å; T158-I160 PolarHBondContact O-N 3.37Å; T158-I160 PolarHBondContact OG1-O 2.89Å; I160-L162 HydrophobicContact CB-CG 4.47Å; I160-L162 HydrophobicContact CG2-CD2 3.6Å; I160-L162 HydrophobicContact CG2-CG 3.8Å; I160-L162 PolarHBondContact O-N 3.17Å; I160-W165 HydrophobicContact CG2-CE3 4.5Å; I160-W165 HydrophobicContact CG2-CZ3 3.97Å
161P82.7Confident85.8Confident15 Ų1561.4 Ų61.410%0.09731%0.311CS..  trans-82.862-173.835.2-37.4000111.1E156 A163 T164 W165E156-P161 HydrophobicContact CG-CB 4.45Å; E156-P161 WeakPolarHBondContact OE2-CA 3.1Å; P161-A163 PolarHBondContact O-N 3.35Å; P161-T164 WeakPolarHBondContact O-CA 3.48Å; P161-T164 VanDerWaalsContact O-CB 3.31Å; P161-T164 WeakPolarHBondContact O-CB 3.49Å; P161-T164 PolarHBondContact O-N 2.85Å; P161-W165 HydrophobicContact CG-CD2 4.1Å; P161-W165 HydrophobicContact CG-CH2 4.01Å; P161-W165 HydrophobicContact CG-CZ2 3.53Å; P161-W165 HydrophobicContact CG-CZ3 4.47Å; P161-W165 PolarHBondContact O-N 3.06Å
162L85.5Confident85.9Confident91 Ų9167.3 Ų67.348%0.47633%0.33SS..Hα-helixtrans-58-33.5-175.7-67.5179000112.5I160 T164 W165 S166 C169I160-L162 HydrophobicContact CB-CG 4.47Å; I160-L162 HydrophobicContact CG2-CD2 3.6Å; I160-L162 HydrophobicContact CG2-CG 3.8Å; I160-L162 PolarHBondContact O-N 3.17Å; L162-T164 VanDerWaalsContact C-N 3.26Å; L162-T164 PolarHBondContact O-N 2.88Å; L162-W165 PolarHBondContact O-N 2.8Å; L162-S166 WeakPolarHBondContact O-CB 3.36Å; L162-S166 PolarHBondContact O-N 3.37Å; L162-C169 HydrophobicContact CB-CB 4.16Å; L162-C169 WeakPolarHBondContact O-CB 3.44Å
163A82Confident86.1Confident7 Ų766.6 Ų66.66%0.05833%0.325CS..Hα-helixtrans-71.3-25.5176.800000112V127 E156 P161 C170 K173V127-A163 HydrophobicContact CG1-CB 4Å; V127-A163 HydrophobicContact CG2-CB 4.07Å; V127-A163 WeakPolarHBondContact CG2-O 3.48Å; E156-A163 WeakPolarHBondContact OE2-CB 3.48Å; E156-A163 PolarHBondContact OE2-N 2.55Å; P161-A163 PolarHBondContact O-N 3.35Å; A163-C170 WeakPolarHBondContact O-CB 3.33Å; A163-K173 HydrophobicContact CB-CB 4.41Å; A163-K173 HydrophobicContact CB-CD 3.79Å
164T83.7Confident86.4Confident21 Ų2166.3 Ų66.313%0.12932%0.323CS..Hα-helixtrans-75.5-32.6174.4-55.20000111.6Y49 H52 P161 L162Y49-T164 HydrophobicContact CD2-CG2 4.41Å; Y49-T164 HydrophobicContact CE2-CG2 4.08Å; H52-T164 WeakPolarHBondContact NE2-CG2 3.24Å; P161-T164 WeakPolarHBondContact O-CA 3.48Å; P161-T164 VanDerWaalsContact O-CB 3.31Å; P161-T164 WeakPolarHBondContact O-CB 3.49Å; P161-T164 PolarHBondContact O-N 2.85Å; L162-T164 VanDerWaalsContact C-N 3.26Å; L162-T164 PolarHBondContact O-N 2.88Å
165W84.1Confident86.7Confident178 Ų17869.8 Ų69.867%0.67434%0.339SS*.Hα-helixtrans-96.7-30.7-175.2-59.1-21.2000114.5I160 P161 L162I160-W165 HydrophobicContact CG2-CE3 4.5Å; I160-W165 HydrophobicContact CG2-CZ3 3.97Å; P161-W165 HydrophobicContact CG-CD2 4.1Å; P161-W165 HydrophobicContact CG-CH2 4.01Å; P161-W165 HydrophobicContact CG-CZ2 3.53Å; P161-W165 HydrophobicContact CG-CZ3 4.47Å; P161-W165 PolarHBondContact O-N 3.06Å; L162-W165 PolarHBondContact O-N 2.8Å
166S88.5Confident87.1Confident44 Ų4476 Ų7631%0.30836%0.362SS..  trans-113.4123.8-177.2171.10000111.7L162 W168 C169 C170L162-S166 WeakPolarHBondContact O-CB 3.36Å; L162-S166 PolarHBondContact O-N 3.37Å; S166-W168 VanDerWaalsContact C-N 3.25Å; S166-W168 PolarHBondContact O-N 2.77Å; S166-W168 PolarHBondContact OG-N 3.02Å; S166-C169 PolarHBondContact O-N 3.48Å; S166-C169 PolarHBondContact OG-N 2.77Å; S166-C170 WeakPolarHBondContact O-CB 3.14Å; S166-C170 PolarHBondContact O-N 3.33Å
167K90.5Very high87.7Confident121 Ų12176 Ų7653%0.52636%0.363SS..Hα-helixtrans-55.2-43173.5-178.8-176.8177.5-175.60111.1C170 L171K167-C170 WeakPolarHBondContact O-CB 3.28Å; K167-C170 PolarHBondContact O-N 3.32Å; K167-L171 HydrophobicContact CG-CD1 4.01Å; K167-L171 HydrophobicContact CG-CG 4.39Å; K167-L171 WeakPolarHBondContact O-CG 3.27Å; K167-L171 PolarHBondContact O-N 2.71Å
168W92.5Very high88.7Confident172 Ų17273.6 Ų73.665%0.65234%0.342SS*.Hα-helixtrans-64.1-47-179.3178.189.1000111.6S166 C170 L171 R172S166-W168 VanDerWaalsContact C-N 3.25Å; S166-W168 PolarHBondContact O-N 2.77Å; S166-W168 PolarHBondContact OG-N 3.02Å; W168-C170 VanDerWaalsContact C-N 3.32Å; W168-C170 PolarHBondContact O-N 3.34Å; W168-L171 PolarHBondContact O-N 2.79Å; W168-R172 WeakPolarHBondContact O-CB 3.31Å; W168-R172 PolarHBondContact O-N 2.84Å
169C92.5Very high89.5Confident29 Ų2976.6 Ų76.620%0.19635%0.349CS..Hα-helixtrans-62.4-40.2176.2-70.10000111.9L162 S166 K173L162-C169 HydrophobicContact CB-CB 4.16Å; L162-C169 WeakPolarHBondContact O-CB 3.44Å; S166-C169 PolarHBondContact O-N 3.48Å; S166-C169 PolarHBondContact OG-N 2.77Å; C169-K173 WeakPolarHBondContact O-CB 3.37Å; C169-K173 PolarHBondContact O-N 3.19Å
170C92.6Very high90.7Very high2 Ų277.4 Ų77.41%0.01434%0.34CS..Hα-helixtrans-57.5-58.4176.5-170.20000111.4A163 S166 K167 W168 R172 K173 Q174A163-C170 WeakPolarHBondContact O-CB 3.33Å; S166-C170 WeakPolarHBondContact O-CB 3.14Å; S166-C170 PolarHBondContact O-N 3.33Å; K167-C170 WeakPolarHBondContact O-CB 3.28Å; K167-C170 PolarHBondContact O-N 3.32Å; W168-C170 VanDerWaalsContact C-N 3.32Å; W168-C170 PolarHBondContact O-N 3.34Å; C170-R172 VanDerWaalsContact C-N 3.3Å; C170-R172 PolarHBondContact O-N 3.01Å; C170-K173 WeakPolarHBondContact O-CB 3.42Å; C170-K173 PolarHBondContact O-N 2.93Å; C170-K173 VanDerWaalsContact O-N 3.09Å; C170-Q174 WeakPolarHBondContact O-CG 3.01Å; C170-Q174 PolarHBondContact O-N 3.35Å
171L93.7Very high91.6Very high59 Ų5972.6 Ų72.631%0.30932%0.315SS..Hα-helixtrans-61-40.1-177.8-66.6176.2000111.6Q122 K167 W168 K173 Q174 E175Q122-L171 HydrophobicContact CB-CD2 4.15Å; Q122-L171 HydrophobicContact CG-CD2 3.96Å; K167-L171 HydrophobicContact CG-CD1 4.01Å; K167-L171 HydrophobicContact CG-CG 4.39Å; K167-L171 WeakPolarHBondContact O-CG 3.27Å; K167-L171 PolarHBondContact O-N 2.71Å; W168-L171 PolarHBondContact O-N 2.79Å; L171-K173 VanDerWaalsContact C-N 3.34Å; L171-K173 PolarHBondContact O-N 3.27Å; L171-Q174 PolarHBondContact O-N 3.23Å; L171-E175 WeakPolarHBondContact O-CB 3.48Å; L171-E175 PolarHBondContact O-N 2.81Å
172R93.8Very high92.2Very high149 Ų14975 Ų7556%0.56233%0.327SS*.Hα-helixtrans-66.5-36.1177.7-160.4-175.4148.6850.1111.9W168 C170 R176W168-R172 WeakPolarHBondContact O-CB 3.31Å; W168-R172 PolarHBondContact O-N 2.84Å; C170-R172 VanDerWaalsContact C-N 3.3Å; C170-R172 PolarHBondContact O-N 3.01Å; R172-R176 WeakPolarHBondContact O-CG 3.25Å; R172-R176 PolarHBondContact O-N 3.28Å; R172-R176 PolarHBondContact O-NH1 2.85Å
173K93.9Very high92.7Very high28 Ų2873.9 Ų73.912%0.12233%0.33CS..Hα-helixtrans-68.9-46.1173.5-177.1179.7179.9-178.70111.1V127 T128 E156 A163 C169 C170 L171 E175 R176 L177V127-K173 HydrophobicContact CG1-CD 4.2Å; T128-K173 VanDerWaalsContact O-CE 3.26Å; T128-K173 WeakPolarHBondContact O-CE 3.46Å; T128-K173 PolarHBondContact O-NZ 3.13Å; E156-K173 IonicContact OE1-NZ 3.08Å; E156-K173 PolarHBondContact OE1-NZ 3.45Å; A163-K173 HydrophobicContact CB-CB 4.41Å; A163-K173 HydrophobicContact CB-CD 3.79Å; C169-K173 WeakPolarHBondContact O-CB 3.37Å; C169-K173 PolarHBondContact O-N 3.19Å; C170-K173 WeakPolarHBondContact O-CB 3.42Å; C170-K173 PolarHBondContact O-N 2.93Å; C170-K173 VanDerWaalsContact O-N 3.09Å; L171-K173 VanDerWaalsContact C-N 3.34Å; L171-K173 PolarHBondContact O-N 3.27Å; K173-E175 VanDerWaalsContact C-N 3.32Å; K173-E175 PolarHBondContact O-N 3.07Å; K173-R176 PolarHBondContact O-N 2.84Å; K173-L177 HydrophobicContact CG-CD1 4.19Å; K173-L177 WeakPolarHBondContact O-CG 3.42Å; K173-L177 PolarHBondContact O-N 2.93Å
174Q95.1Very high93.4Very high22 Ų2275.7 Ų75.710%0.10334%0.338CS..Hα-helixtrans-57.5-44177-73.8176.8-10.200111.5L121 I126 C170 L171 R176 L177 W178L121-Q174 PolarHBondContact O-NE2 3.32Å; I126-Q174 PolarHBondContact O-NE2 2.92Å; C170-Q174 WeakPolarHBondContact O-CG 3.01Å; C170-Q174 PolarHBondContact O-N 3.35Å; L171-Q174 PolarHBondContact O-N 3.23Å; Q174-R176 VanDerWaalsContact C-N 3.34Å; Q174-R176 PolarHBondContact O-N 3.3Å; Q174-L177 PolarHBondContact O-N 3.17Å; Q174-W178 VanDerWaalsContact O-CB 3.25Å; Q174-W178 WeakPolarHBondContact O-CB 3.26Å; Q174-W178 PolarHBondContact O-N 3.48Å
175E95.4Very high94Very high75 Ų7579.2 Ų79.235%0.3536%0.361SS..Hα-helixtrans-63.2-39.7179.1-173.256.3-148.600112.1K118 L171 K173 W178 K179K118-E175 IonicContact NZ-OE2 2.75Å; K118-E175 PolarHBondContact NZ-OE2 2.77Å; K118-E175 VanDerWaalsContact NZ-OE2 3.08Å; L171-E175 WeakPolarHBondContact O-CB 3.48Å; L171-E175 PolarHBondContact O-N 2.81Å; K173-E175 VanDerWaalsContact C-N 3.32Å; K173-E175 PolarHBondContact O-N 3.07Å; E175-W178 PolarHBondContact O-N 2.97Å; E175-K179 WeakPolarHBondContact O-CG 3.21Å; E175-K179 PolarHBondContact O-N 3.13Å; E175-K179 VanDerWaalsContact O-N 3.12Å; E175-K179 WeakPolarHBondContact OE1-CE 3.25Å
176R95Very high94.5Very high131 Ų13171.7 Ų71.749%0.49434%0.337SS..Hα-helixtrans-64.5-42.8174-68-169.1-53.9-85.89.5112.3R172 K173 Q174 R180R172-R176 WeakPolarHBondContact O-CG 3.25Å; R172-R176 PolarHBondContact O-N 3.28Å; R172-R176 PolarHBondContact O-NH1 2.85Å; K173-R176 PolarHBondContact O-N 2.84Å; Q174-R176 VanDerWaalsContact C-N 3.34Å; Q174-R176 PolarHBondContact O-N 3.3Å; R176-R180 PolarHBondContact O-N 3.47Å
177L95.3Very high94.8Very high27 Ų2769.6 Ų69.614%0.14132%0.322CS..Hα-helixtrans-66.9-39.7176.9-70.4177.6000111.2K173 Q174 K179 R180 F181K173-L177 HydrophobicContact CG-CD1 4.19Å; K173-L177 WeakPolarHBondContact O-CG 3.42Å; K173-L177 PolarHBondContact O-N 2.93Å; Q174-L177 PolarHBondContact O-N 3.17Å; L177-K179 PolarHBondContact O-N 2.96Å; L177-R180 PolarHBondContact O-N 3.23Å; L177-F181 WeakPolarHBondContact O-CB 3.47Å; L177-F181 PolarHBondContact O-N 3.36Å
178W97.1Very high95Very high28 Ų2865 Ų6511%0.10631%0.307CS..Hα-helixtrans-61-45.9-179.6-167.2-96.1000111.6L114 L117 K118 L131 Q174 E175 R180 F181 I182L114-W178 HydrophobicContact CB-CH2 4.36Å; L114-W178 HydrophobicContact CB-CZ2 4.27Å; L114-W178 HydrophobicContact CD2-CH2 4.32Å; L114-W178 WeakPolarHBondContact O-CH2 3.32Å; L117-W178 HydrophobicContact CB-CH2 4.43Å; L117-W178 HydrophobicContact CD2-CH2 4.24Å; L117-W178 HydrophobicContact CD2-CZ3 4.02Å; L117-W178 HydrophobicContact CG-CH2 4.4Å; L117-W178 HydrophobicContact CG-CZ3 4.11Å; K118-W178 HydrophobicContact CB-CD2 4.41Å; K118-W178 HydrophobicContact CB-CE3 4.23Å; K118-W178 HydrophobicContact CB-CH2 3.63Å; K118-W178 HydrophobicContact CB-CZ2 3.8Å; K118-W178 HydrophobicContact CB-CZ3 3.84Å; K118-W178 HydrophobicContact CD-CD2 3.95Å; K118-W178 HydrophobicContact CD-CG 4.27Å; K118-W178 HydrophobicContact CD-CZ2 4.11Å; K118-W178 HydrophobicContact CG-CD2 4.1Å; K118-W178 HydrophobicContact CG-CE3 4.17Å; K118-W178 HydrophobicContact CG-CH2 4.36Å; K118-W178 HydrophobicContact CG-CZ2 4.27Å; K118-W178 HydrophobicContact CG-CZ3 4.29Å; L131-W178 HydrophobicContact CD2-CE3 3.94Å; L131-W178 HydrophobicContact CD2-CZ3 3.96Å; Q174-W178 VanDerWaalsContact O-CB 3.25Å; Q174-W178 WeakPolarHBondContact O-CB 3.26Å; Q174-W178 PolarHBondContact O-N 3.48Å; E175-W178 PolarHBondContact O-N 2.97Å; W178-R180 VanDerWaalsContact C-N 3.32Å; W178-R180 PolarHBondContact O-N 3.42Å; W178-F181 HydrophobicContact CD2-CD1 4.33Å; W178-F181 AromaticContact CE3-CD1 3.94Å; W178-F181 HydrophobicContact CE3-CD1 3.94Å; W178-F181 HydrophobicContact CE3-CE1 4.39Å; W178-F181 HydrophobicContact CH2-CD1 4.09Å; W178-F181 AromaticContact CH2-CE1 3.83Å; W178-F181 HydrophobicContact CH2-CE1 3.83Å; W178-F181 HydrophobicContact CZ2-CD1 4.48Å; W178-F181 HydrophobicContact CZ2-CE1 4.48Å; W178-F181 AromaticContact CZ3-CD1 3.82Å; W178-F181 HydrophobicContact CZ3-CD1 3.82Å; W178-F181 AromaticContact CZ3-CE1 3.8Å; W178-F181 HydrophobicContact CZ3-CE1 3.8Å; W178-F181 WeakPolarHBondContact O-CB 3.31Å; W178-F181 PolarHBondContact O-N 3.01Å; W178-F181 VanDerWaalsContact O-N 3.11Å; W178-I182 HydrophobicContact CD2-CG2 4.44Å; W178-I182 HydrophobicContact CZ2-CG2 4.09Å; W178-I182 WeakPolarHBondContact O-CG1 3.33Å; W178-I182 PolarHBondContact O-N 2.83Å
179K95.7Very high95.1Very high132 Ų13261.9 Ų61.957%0.57430%0.302SS*.Hα-helixtrans-56.9-43.9175.5-72.1-179.9-179.3-171.10112.5E175 L177 F181 I182 A183E175-K179 WeakPolarHBondContact O-CG 3.21Å; E175-K179 PolarHBondContact O-N 3.13Å; E175-K179 VanDerWaalsContact O-N 3.12Å; E175-K179 WeakPolarHBondContact OE1-CE 3.25Å; L177-K179 PolarHBondContact O-N 2.96Å; K179-F181 VanDerWaalsContact C-N 3.35Å; K179-I182 WeakPolarHBondContact O-CG1 3.33Å; K179-A183 WeakPolarHBondContact O-CB 3.12Å; K179-A183 PolarHBondContact O-N 2.93Å
180R96.2Very high95.1Very high194 Ų19460.6 Ų60.673%0.73229%0.293SS*.Hα-helixtrans-70.9-32.6177-65.7177.767.2175.22.7112.3R176 L177 W178 Q184R176-R180 PolarHBondContact O-N 3.47Å; L177-R180 PolarHBondContact O-N 3.23Å; W178-R180 VanDerWaalsContact C-N 3.32Å; W178-R180 PolarHBondContact O-N 3.42Å; R180-Q184 WeakPolarHBondContact O-CG 3.28Å
181F97.3Very high95.1Very high0 Ų062.4 Ų62.40%030%0.303CS..Hα-helixtrans-69.3-51.7-178.7170.4-113.7000111.9L94 L114 L117 L131 P133 I136 L177 W178 K179 A183 Q184 L187L94-F181 HydrophobicContact CD2-CE2 4.37Å; L94-F181 HydrophobicContact CD2-CZ 3.64Å; L114-F181 HydrophobicContact CD2-CE1 3.6Å; L114-F181 HydrophobicContact CD2-CZ 4.04Å; L117-F181 HydrophobicContact CD2-CE1 3.88Å; L117-F181 HydrophobicContact CD2-CZ 3.86Å; L131-F181 HydrophobicContact CB-CB 4.23Å; L131-F181 HydrophobicContact CB-CD2 4.1Å; L131-F181 HydrophobicContact CB-CG 4.22Å; L131-F181 HydrophobicContact CD2-CB 4.09Å; L131-F181 HydrophobicContact CD2-CD1 3.64Å; L131-F181 HydrophobicContact CD2-CD2 3.99Å; L131-F181 HydrophobicContact CD2-CE1 3.96Å; L131-F181 HydrophobicContact CD2-CE2 4.28Å; L131-F181 HydrophobicContact CD2-CG 3.63Å; L131-F181 HydrophobicContact CD2-CZ 4.27Å; L131-F181 HydrophobicContact CG-CB 4.36Å; L131-F181 HydrophobicContact CG-CD1 4.28Å; L131-F181 HydrophobicContact CG-CD2 3.69Å; L131-F181 HydrophobicContact CG-CE1 4.49Å; L131-F181 HydrophobicContact CG-CE2 3.94Å; L131-F181 HydrophobicContact CG-CG 3.86Å; L131-F181 HydrophobicContact CG-CZ 4.33Å; P133-F181 HydrophobicContact CB-CE2 4.26Å; P133-F181 HydrophobicContact CG-CD2 4.18Å; P133-F181 HydrophobicContact CG-CE2 3.68Å; I136-F181 HydrophobicContact CD1-CE1 4.42Å; I136-F181 HydrophobicContact CD1-CE2 3.42Å; I136-F181 VanDerWaalsContact CD1-CE2 3.42Å; I136-F181 HydrophobicContact CD1-CZ 3.34Å; L177-F181 WeakPolarHBondContact O-CB 3.47Å; L177-F181 PolarHBondContact O-N 3.36Å; W178-F181 HydrophobicContact CD2-CD1 4.33Å; W178-F181 AromaticContact CE3-CD1 3.94Å; W178-F181 HydrophobicContact CE3-CD1 3.94Å; W178-F181 HydrophobicContact CE3-CE1 4.39Å; W178-F181 HydrophobicContact CH2-CD1 4.09Å; W178-F181 AromaticContact CH2-CE1 3.83Å; W178-F181 HydrophobicContact CH2-CE1 3.83Å; W178-F181 HydrophobicContact CZ2-CD1 4.48Å; W178-F181 HydrophobicContact CZ2-CE1 4.48Å; W178-F181 AromaticContact CZ3-CD1 3.82Å; W178-F181 HydrophobicContact CZ3-CD1 3.82Å; W178-F181 AromaticContact CZ3-CE1 3.8Å; W178-F181 HydrophobicContact CZ3-CE1 3.8Å; W178-F181 WeakPolarHBondContact O-CB 3.31Å; W178-F181 PolarHBondContact O-N 3.01Å; W178-F181 VanDerWaalsContact O-N 3.11Å; K179-F181 VanDerWaalsContact C-N 3.35Å; F181-A183 PolarHBondContact O-N 3.09Å; F181-Q184 WeakPolarHBondContact O-CB 3.22Å; F181-Q184 WeakPolarHBondContact O-CG 3.32Å; F181-Q184 PolarHBondContact O-N 3.43Å; F181-Q184 VanDerWaalsContact O-N 3.07Å; F181-L187 HydrophobicContact CD1-CD1 4.26Å; F181-L187 HydrophobicContact CD2-CD1 4.3Å; F181-L187 HydrophobicContact CE1-CD1 3.87Å; F181-L187 HydrophobicContact CE2-CD1 3.9Å; F181-L187 HydrophobicContact CG-CD1 4.47Å; F181-L187 HydrophobicContact CZ-CD1 3.68Å
182I96.4Very high94.9Very high65 Ų6567.4 Ų67.433%0.33332%0.324SS..Hα-helixtrans-66.3-23.8178.964.7-178000112.9W178 K179 Q184W178-I182 HydrophobicContact CD2-CG2 4.44Å; W178-I182 HydrophobicContact CZ2-CG2 4.09Å; W178-I182 WeakPolarHBondContact O-CG1 3.33Å; W178-I182 PolarHBondContact O-N 2.83Å; K179-I182 WeakPolarHBondContact O-CG1 3.33Å; I182-Q184 VanDerWaalsContact C-N 3.29Å
183A96.1Very high94.4Very high67 Ų6763.6 Ų63.655%0.55431%0.312SS*.THydrogen-bonded Turntrans-82.1-0.6175.600000113.8K179 F181K179-A183 WeakPolarHBondContact O-CB 3.12Å; K179-A183 PolarHBondContact O-N 2.93Å; F181-A183 PolarHBondContact O-N 3.09Å
184Q97.2Very high93.7Very high45 Ų4570 Ų7021%0.2135%0.347CS..SBendtrans-67.4140.4175.5-68.5-169.843.800110.6L131 P133 R180 F181 I182 A186 L187 A188L131-Q184 PolarHBondContact O-NE2 2.85Å; P133-Q184 HydrophobicContact CG-CB 4.29Å; R180-Q184 WeakPolarHBondContact O-CG 3.28Å; F181-Q184 WeakPolarHBondContact O-CB 3.22Å; F181-Q184 WeakPolarHBondContact O-CG 3.32Å; F181-Q184 PolarHBondContact O-N 3.43Å; F181-Q184 VanDerWaalsContact O-N 3.07Å; I182-Q184 VanDerWaalsContact C-N 3.29Å; Q184-A186 VanDerWaalsContact C-N 3.32Å; Q184-A186 PolarHBondContact O-N 3.36Å; Q184-A186 VanDerWaalsContact O-N 3.15Å; Q184-L187 PolarHBondContact O-N 3.5Å; Q184-A188 PolarHBondContact O-N 2.89Å
185P95.4Very high92.9Very high95 Ų9570.8 Ų70.862%0.61735%0.352SS*.Hα-helixtrans-50.3-45.7-170.4-31.235.6000114.6L187 A188 I189P185-L187 VanDerWaalsContact C-N 3.31Å; P185-L187 PolarHBondContact O-N 3.05Å; P185-A188 PolarHBondContact O-N 2.81Å; P185-I189 HydrophobicContact CB-CD1 4.33Å; P185-I189 VanDerWaalsContact O-CB 3.29Å; P185-I189 WeakPolarHBondContact O-CB 3.31Å; P185-I189 WeakPolarHBondContact O-CD1 3.07Å; P185-I189 WeakPolarHBondContact O-CG1 3.44Å; P185-I189 PolarHBondContact O-N 3.03Å
186A93.6Very high92Very high21 Ų2174.3 Ų74.317%0.17437%0.369CS..Hα-helixtrans-55.8-43.9-18000000112.8T95 Q184 A190T95-A186 HydrophobicContact CG2-CB 4.06Å; Q184-A186 VanDerWaalsContact C-N 3.32Å; Q184-A186 PolarHBondContact O-N 3.36Å; Q184-A186 VanDerWaalsContact O-N 3.15Å; A186-A190 WeakPolarHBondContact O-CB 3.17Å; A186-A190 PolarHBondContact O-N 2.72Å
187L96.3Very high91Very high0 Ų071.5 Ų71.50%037%0.367CS..Hα-helixtrans-78.9-44.6178.9-65.9-177.2000112.2L94 A98 L110 L114 P133 F181 Q184 P185 I189 A190 L191L94-L187 HydrophobicContact CD2-CD1 4.43Å; L94-L187 HydrophobicContact CD2-CD2 4.11Å; L94-L187 HydrophobicContact CG-CD2 4.11Å; A98-L187 HydrophobicContact CB-CD2 4.13Å; L110-L187 HydrophobicContact CD1-CD2 3.98Å; L110-L187 HydrophobicContact CD2-CD2 4.46Å; L114-L187 HydrophobicContact CD2-CD1 3.97Å; L114-L187 HydrophobicContact CD2-CD2 4.42Å; P133-L187 HydrophobicContact CB-CD1 4.49Å; P133-L187 HydrophobicContact CB-CG 4.32Å; P133-L187 HydrophobicContact CG-CD1 3.73Å; P133-L187 HydrophobicContact CG-CD2 4.48Å; P133-L187 HydrophobicContact CG-CG 3.74Å; F181-L187 HydrophobicContact CD1-CD1 4.26Å; F181-L187 HydrophobicContact CD2-CD1 4.3Å; F181-L187 HydrophobicContact CE1-CD1 3.87Å; F181-L187 HydrophobicContact CE2-CD1 3.9Å; F181-L187 HydrophobicContact CG-CD1 4.47Å; F181-L187 HydrophobicContact CZ-CD1 3.68Å; Q184-L187 PolarHBondContact O-N 3.5Å; P185-L187 VanDerWaalsContact C-N 3.31Å; P185-L187 PolarHBondContact O-N 3.05Å; L187-I189 PolarHBondContact O-N 2.87Å; L187-A190 PolarHBondContact O-N 3.2Å; L187-L191 HydrophobicContact CB-CD1 4.48Å; L187-L191 VanDerWaalsContact O-CB 3.3Å; L187-L191 WeakPolarHBondContact O-CB 3.44Å; L187-L191 WeakPolarHBondContact O-CG 3.38Å; L187-L191 PolarHBondContact O-N 2.91Å
188A95.1Very high89.8Confident25 Ų2573.4 Ų73.421%0.20737%0.373CS..Hα-helixtrans-61.6-44.7-176.900000111.5Q184 P185 Q192Q184-A188 PolarHBondContact O-N 2.89Å; P185-A188 PolarHBondContact O-N 2.81Å; A188-Q192 WeakPolarHBondContact O-CB 3.48Å; A188-Q192 VanDerWaalsContact O-CG 3.24Å; A188-Q192 WeakPolarHBondContact O-CG 3.38Å; A188-Q192 PolarHBondContact O-N 2.9Å
189I93.1Very high88.5Confident106 Ų10682 Ų8254%0.54441%0.414SS..Hα-helixtrans-62.7-52.3176.8-66.4167.4000109.6P185 L187 L191 Q192 K193P185-I189 HydrophobicContact CB-CD1 4.33Å; P185-I189 VanDerWaalsContact O-CB 3.29Å; P185-I189 WeakPolarHBondContact O-CB 3.31Å; P185-I189 WeakPolarHBondContact O-CD1 3.07Å; P185-I189 WeakPolarHBondContact O-CG1 3.44Å; P185-I189 PolarHBondContact O-N 3.03Å; L187-I189 PolarHBondContact O-N 2.87Å; I189-L191 PolarHBondContact O-N 2.84Å; I189-Q192 PolarHBondContact O-N 3.2Å; I189-K193 WeakPolarHBondContact O-CG 3.2Å; I189-K193 PolarHBondContact O-N 2.78Å
190A93.1Very high86.7Confident1 Ų178.9 Ų78.91%0.00841%0.409CS..Hα-helixtrans-58.5-46.2-178.400000112.3A98 I107 L110 A186 L187 Q192 K193A98-A190 HydrophobicContact CB-CB 3.91Å; I107-A190 HydrophobicContact CD1-CB 4.24Å; I107-A190 WeakPolarHBondContact CD1-O 3.48Å; L110-A190 HydrophobicContact CD2-CB 3.77Å; A186-A190 WeakPolarHBondContact O-CB 3.17Å; A186-A190 PolarHBondContact O-N 2.72Å; L187-A190 PolarHBondContact O-N 3.2Å; A190-Q192 PolarHBondContact O-N 3Å; A190-K193 WeakPolarHBondContact O-CB 3.36Å; A190-K193 PolarHBondContact O-N 3.21Å
191L92.2Very high84.6Confident41 Ų4179.9 Ų79.922%0.21542%0.418CS..Hα-helixtrans-69-16.4-177.9-69.2170.8000114.3L110 R111 L114 L187 I189L110-L191 HydrophobicContact CD2-CD2 4.07Å; L110-L191 HydrophobicContact CD2-CG 4.28Å; L110-L191 HydrophobicContact CG-CD2 4.31Å; R111-L191 HydrophobicContact CG-CD2 3.75Å; R111-L191 PolarHBondContact NH2-O 2.94Å; L114-L191 HydrophobicContact CD1-CD1 3.9Å; L114-L191 HydrophobicContact CD1-CD2 4.15Å; L114-L191 HydrophobicContact CD1-CG 4.5Å; L187-L191 HydrophobicContact CB-CD1 4.48Å; L187-L191 VanDerWaalsContact O-CB 3.3Å; L187-L191 WeakPolarHBondContact O-CB 3.44Å; L187-L191 WeakPolarHBondContact O-CG 3.38Å; L187-L191 PolarHBondContact O-N 2.91Å; I189-L191 PolarHBondContact O-N 2.84Å
192Q89.4Confident82.2Confident163 Ų16384.2 Ų84.276%0.76245%0.445SS*.Hα-helixtrans-99.9-6.2176.9-70.51762.200113.4A188 I189 A190 D194A188-Q192 WeakPolarHBondContact O-CB 3.48Å; A188-Q192 VanDerWaalsContact O-CG 3.24Å; A188-Q192 WeakPolarHBondContact O-CG 3.38Å; A188-Q192 PolarHBondContact O-N 2.9Å; I189-Q192 PolarHBondContact O-N 3.2Å; A190-Q192 PolarHBondContact O-N 3Å; Q192-D194 PolarHBondContact O-N 3.15Å
193K83.5Confident80Confident69 Ų6987.2 Ų87.230%0.346%0.461SS..  trans-62.4130.1176.6-70.9178.4176.9174.20109.7C101 I189 A190 L195C101-K193 PolarHBondContact O-NZ 2.84Å; I189-K193 WeakPolarHBondContact O-CG 3.2Å; I189-K193 PolarHBondContact O-N 2.78Å; A190-K193 WeakPolarHBondContact O-CB 3.36Å; A190-K193 PolarHBondContact O-N 3.21Å; K193-L195 HydrophobicContact CB-CD1 3.99Å; K193-L195 HydrophobicContact CB-CD2 3.97Å; K193-L195 HydrophobicContact CB-CG 3.74Å; K193-L195 HydrophobicContact CD-CD1 4.22Å; K193-L195 HydrophobicContact CD-CD2 4.27Å
194D78.6Confident77.8Confident162 Ų16286.5 Ų86.587%0.86646%0.455SS*.  trans-88.8111.8165.9-162.37.8000107.4Q192Q192-D194 PolarHBondContact O-N 3.15Å
195L79.7Confident75.6Confident40 Ų4085.9 Ų85.921%0.20945%0.453CS..  trans-125.8148.1-169.9-62.7176.3000110.5R102 Y103 I107 K193R102-L195 WeakPolarHBondContact O-CD2 3.17Å; Y103-L195 WeakPolarHBondContact O-CD1 3.29Å; I107-L195 HydrophobicContact CD1-CD1 4.06Å; I107-L195 HydrophobicContact CG1-CD1 3.47Å; I107-L195 VanDerWaalsContact CG1-CD1 3.47Å; K193-L195 HydrophobicContact CB-CD1 3.99Å; K193-L195 HydrophobicContact CB-CD2 3.97Å; K193-L195 HydrophobicContact CB-CG 3.74Å; K193-L195 HydrophobicContact CD-CD1 4.22Å; K193-L195 HydrophobicContact CD-CD2 4.27Å
196Q76.4Confident73.1Confident149 Ų14985.8 Ų85.870%0.69645%0.451SS*.PPolyproline II helixtrans-82.9152.7174.4-62.7-65.7-37.100110.6E104E104-Q196 PolarHBondContact N-O 2.63Å
197P72.9Confident70.7Confident71 Ų7186.8 Ų86.846%0.46146%0.457SS..PPolyproline II helixtrans-60.2150.7171-21.532.7000112E199P197-E199 PolarHBondContact O-N 3.26Å
198R71.3Confident68Low68 Ų6894.9 Ų94.926%0.25749%0.487SS..PPolyproline II helixtrans-75.1124.7177.7-162175.5-177.61550.3110.4Y103 E105 S200 T202Y103-R198 HydrophobicContact CD1-CB 3.87Å; Y103-R198 HydrophobicContact CD1-CG 3.96Å; Y103-R198 HydrophobicContact CD2-CB 4.25Å; Y103-R198 HydrophobicContact CD2-CG 3.89Å; Y103-R198 HydrophobicContact CE1-CB 4.39Å; Y103-R198 HydrophobicContact CE1-CG 4.02Å; Y103-R198 HydrophobicContact CE2-CG 3.95Å; Y103-R198 HydrophobicContact CG-CB 3.78Å; Y103-R198 HydrophobicContact CG-CG 3.89Å; E105-R198 PolarHBondContact OE1-N 3.42Å; E105-R198 VanDerWaalsContact OE1-N 3.13Å; E105-R198 WeakPolarHBondContact OE2-CB 3.38Å; E105-R198 PolarHBondContact OE2-N 3.28Å; E105-R198 VanDerWaalsContact OE2-N 3.1Å; R198-S200 WeakPolarHBondContact CD-O 3.37Å; R198-S200 WeakPolarHBondContact CG-O 3.33Å; R198-S200 PolarHBondContact O-N 3.48Å; R198-S200 VanDerWaalsContact O-N 3.16Å; R198-T202 PolarHBondContact NE-O 3.29Å; R198-T202 PolarHBondContact NH1-O 3.03Å; R198-T202 VanDerWaalsContact NH1-O 3.17Å; R198-T202 PolarHBondContact NH2-O 3.4Å
199E68.4Low65.3Low207 Ų207103 Ų10397%0.96752%0.521SS*.SBendtrans-63.9-21.3-179.8-66.4-177168.200113.6P197P197-E199 PolarHBondContact O-N 3.26Å
200S57.9Low62.5Low68 Ų68105.9 Ų105.948%0.47656%0.561SS.*SBendtrans-129.1129.7-179.8179.90000112R198 T202R198-S200 WeakPolarHBondContact CD-O 3.37Å; R198-S200 WeakPolarHBondContact CG-O 3.33Å; R198-S200 PolarHBondContact O-N 3.48Å; R198-S200 VanDerWaalsContact O-N 3.16Å; S200-T202 PolarHBondContact O-N 3.26Å; S200-T202 PolarHBondContact OG-OG1 3.22Å
201K52.4Low61Low214 Ų214111.1 Ų111.193%0.9359%0.588SS**  trans-6917.1-173.6-75-173.4175.4-179.70116.2L203K201-L203 PolarHBondContact O-N 3.11Å
202T48.1Very low59.4Low92 Ų92114.8 Ų114.856%0.56461%0.608SS**  trans-87.1100.4-179.61.60000110.9R198 S200 A204R198-T202 PolarHBondContact NE-O 3.29Å; R198-T202 PolarHBondContact NH1-O 3.03Å; R198-T202 VanDerWaalsContact NH1-O 3.17Å; R198-T202 PolarHBondContact NH2-O 3.4Å; S200-T202 PolarHBondContact O-N 3.26Å; S200-T202 PolarHBondContact OG-OG1 3.22Å; T202-A204 VanDerWaalsContact C-N 3.31Å; T202-A204 PolarHBondContact O-N 3.5Å
203L48.8Very low57.7Low128 Ų128112.1 Ų112.167%0.6760%0.599SS**  trans-66.584170.5-84.2154.1000110.1K201K201-L203 PolarHBondContact O-N 3.11Å
204A49.8Very low56.2Low52 Ų52114.6 Ų114.643%0.4362%0.617SS.*  trans-101.392.8169.300000108.9T202 T206T202-A204 VanDerWaalsContact C-N 3.31Å; T202-A204 PolarHBondContact O-N 3.5Å; A204-T206 PolarHBondContact O-N 2.58Å
205L51.9Low54.8Low32 Ų32111.7 Ų111.717%0.16860%0.601CS.*  trans-65.998.3150.3-72.6170.1000104.8F97 R140 V146 S207F97-L205 HydrophobicContact CD2-CD2 3.79Å; F97-L205 HydrophobicContact CE2-CD1 3.93Å; F97-L205 HydrophobicContact CE2-CD2 3.23Å; F97-L205 HydrophobicContact CE2-CG 4.21Å; F97-L205 HydrophobicContact CZ-CD2 3.95Å; R140-L205 HydrophobicContact CG-CD1 4.23Å; R140-L205 PolarHBondContact NH1-O 3.37Å; V146-L205 HydrophobicContact CG2-CD1 4.14Å; L205-S207 PolarHBondContact O-N 3.37Å
206T43.3Very low53.1Low92 Ų92116.5 Ų116.556%0.56463%0.627SS**  trans-58.4114.5-175.2490000108.1A204A204-T206 PolarHBondContact O-N 2.58Å
207S43.4Very low51.5Low43 Ų43114.1 Ų114.130%0.30162%0.623SS.*  trans-49.8149161.7-47.50000108.8D87 K89 L205 E209D87-S207 PolarHBondContact OD2-OG 2.78Å; K89-S207 PolarHBondContact NZ-OG 2.98Å; L205-S207 PolarHBondContact O-N 3.37Å; S207-E209 PolarHBondContact O-N 2.96Å
208R38.4Very low49.8Very low170 Ų170117.5 Ų117.564%0.64264%0.635SS**  trans-42113.4163.6-76.7-178.4171.2-145.9-3.2108.9A210R208-A210 VanDerWaalsContact C-N 3.31Å; R208-A210 PolarHBondContact O-N 2.97Å; R208-A210 VanDerWaalsContact O-N 3.17Å
209E38.4Very low48Very low194 Ų194121.6 Ų121.691%0.90767%0.667SS**  trans-63.2106.9149.2-72.1-179.616400103.7S207S207-E209 PolarHBondContact O-N 2.96Å
210A35.3Very low46.1Very low167 Ų167113.8 Ų113.8100%1.3864%0.639SS**  trans-720168.500000109R208R208-A210 VanDerWaalsContact C-N 3.31Å; R208-A210 PolarHBondContact O-N 2.97Å; R208-A210 VanDerWaalsContact O-N 3.17Å

Retrieved 210 of 210 residues in 111.4 ms (Link to these results)

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