X2JIQ5_DROME Loading...

Large ribosomal subunit protein uL22

AlphaFold DB (Q9W3W8), UniProt , Accession X2JIQ5, Species DROME (Drosophila melanogaster, Fruit fly), Gene RpL17, Length 186 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
1M64.3Low86.9Confident244 Ų244105.3 Ų105.3100%1.20253%0.529SS*.  01310-153.5175.6-149.100108.3
2G78Confident87.3Confident47 Ų47102.8 Ų102.849%0.48554%0.538SS..PPolyproline II helixtrans-69.1143.518000000111.1R18G2-R18 PolarHBondContact O-NH1 3.48Å
3R89.8Confident87.8Confident240 Ų240100.6 Ų100.691%0.90652%0.521SS*.PPolyproline II helixtrans-82.1137.8177.5-65.7-178-179.7-179.6-1.1111.4R18R3-R18 PolarHBondContact O-NH2 3.06Å
4Y92.8Very high88.2Confident53 Ų5393.5 Ų93.521%0.20848%0.484CS..PPolyproline II helixtrans-78.5149.8173.6-74.4-104.1000109.7R6 K16 A17 R18 E147 I149Y4-R6 VanDerWaalsContact C-N 3.29Å; Y4-K16 HydrophobicContact CD1-CD 4.29Å; Y4-K16 HydrophobicContact CD2-CD 4.06Å; Y4-K16 HydrophobicContact CE1-CB 3.91Å; Y4-K16 HydrophobicContact CE1-CD 4.26Å; Y4-K16 HydrophobicContact CE1-CG 4.48Å; Y4-K16 HydrophobicContact CE2-CB 4.32Å; Y4-K16 HydrophobicContact CE2-CD 4.04Å; Y4-K16 HydrophobicContact CG-CD 4.2Å; Y4-A17 PolarHBondContact OH-O 3.48Å; Y4-R18 HydrophobicContact CE1-CB 4.48Å; Y4-E147 HydrophobicContact CD1-CB 3.88Å; Y4-E147 HydrophobicContact CD1-CG 4.31Å; Y4-E147 HydrophobicContact CE1-CB 3.78Å; Y4-I149 HydrophobicContact CD1-CD1 4.49Å; Y4-I149 HydrophobicContact CD1-CG1 4.37Å
5S91.4Very high88.7Confident67 Ų6787.3 Ų87.347%0.46945%0.452SS..SBendtrans-69.8-29.3177.558.20000113.1H116 Q118 E147S5-H116 PolarHBondContact OG-NE2 3.13Å; S5-H116 VanDerWaalsContact OG-NE2 3.07Å; S5-Q118 PolarHBondContact OG-OE1 2.98Å; S5-E147 VanDerWaalsContact CB-OE1 3.25Å; S5-E147 WeakPolarHBondContact CB-OE1 3.39Å; S5-E147 PolarHBondContact N-OE1 2.83Å; S5-E147 PolarHBondContact OG-OE1 3.47Å
6R91.9Very high89.1Confident100 Ų10084.8 Ų84.838%0.37744%0.437SS..SBendtrans-133.1139-175.9-172.7172.9-178.8-167.12.3109Y4 H115 I149Y4-R6 VanDerWaalsContact C-N 3.29Å; R6-H115 PolarHBondContact NH2-NE2 3.39Å; R6-I149 WeakPolarHBondContact O-CD1 3.39Å
7E90Very high89.5Confident106 Ų10679.9 Ų79.950%0.49541%0.412SS..  trans-92.8150.8169.2-72.1-61.514600110.2K16E7-K16 VanDerWaalsContact CD-NZ 3.3Å; E7-K16 IonicContact OE1-NZ 2.86Å; E7-K16 PolarHBondContact OE1-NZ 3.33Å; E7-K16 IonicContact OE2-NZ 3.62Å; E7-K16 PolarHBondContact OE2-NZ 3.18Å
8S88.6Confident89.8Confident8 Ų879 Ų796%0.05640%0.403CS..  trans-77.4143.817238.80000109.6N10 S14S8-N10 PolarHBondContact O-N 2.87Å; S8-S14 WeakPolarHBondContact CB-OG 3.46Å; S8-S14 PolarHBondContact OG-OG 2.92Å
9D88.3Confident90.1Very high139 Ų13975.3 Ų75.374%0.74339%0.386SS*.SBendtrans-63.9-35.4178.2-52-51.2000110.9H115D9-H115 IonicContact OD2-NE2 3.83Å
10N89.4Confident90.3Very high71 Ų7175.6 Ų75.638%0.3839%0.393SS..  trans-121.8103.7171.5-172.3-23.3000110.4S8 A12 K13 S14S8-N10 PolarHBondContact O-N 2.87Å; N10-A12 VanDerWaalsContact C-N 3.32Å; N10-A12 PolarHBondContact O-N 3.42Å; N10-A12 WeakPolarHBondContact OD1-CB 3.49Å; N10-A12 PolarHBondContact OD1-N 2.88Å; N10-A12 VanDerWaalsContact OD1-N 3.09Å; N10-K13 HydrophobicContact CB-CB 4.38Å; N10-K13 PolarHBondContact OD1-N 3.24Å; N10-K13 VanDerWaalsContact OD1-N 3.17Å; N10-S14 VanDerWaalsContact O-CB 3.31Å; N10-S14 WeakPolarHBondContact O-CB 3.09Å; N10-S14 PolarHBondContact O-OG 2.73Å
11V91.1Very high90.5Very high83 Ų8377 Ų7750%0.50340%0.401SS..SBendtrans-66.6-34.3-178.1-1780000112S14V11-S14 WeakPolarHBondContact CA-OG 3.47Å; V11-S14 PolarHBondContact O-N 3.32Å; V11-S14 PolarHBondContact O-OG 3.09Å
12A91.8Very high92Very high76 Ų7667 Ų6763%0.62835%0.352SS*.THydrogen-bonded Turntrans-66.4-46.1-18000000111.3N10 S14N10-A12 VanDerWaalsContact C-N 3.32Å; N10-A12 PolarHBondContact O-N 3.42Å; N10-A12 WeakPolarHBondContact OD1-CB 3.49Å; N10-A12 PolarHBondContact OD1-N 2.88Å; N10-A12 VanDerWaalsContact OD1-N 3.09Å; A12-S14 PolarHBondContact O-N 3.2Å
13K93.5Very high92.9Very high74 Ų7471.9 Ų71.932%0.32236%0.356SS..THydrogen-bonded Turntrans-85.129178-63.1-170.9-178.8-178.80114N10 T151 E152 E154N10-K13 HydrophobicContact CB-CB 4.38Å; N10-K13 PolarHBondContact OD1-N 3.24Å; N10-K13 VanDerWaalsContact OD1-N 3.17Å; K13-T151 WeakPolarHBondContact O-CA 3.5Å; K13-E152 HydrophobicContact CB-CB 4.31Å; K13-E152 PolarHBondContact O-N 3.42Å; K13-E154 IonicContact NZ-OE1 3.27Å; K13-E154 PolarHBondContact NZ-OE1 2.85Å
14S94.4Very high93.2Very high1 Ų160.7 Ų60.71%0.00731%0.314CS..EExtended strand (participates in β ladder)trans-142.4147.9-178.3690000113.1S8 N10 V11 A12 K105 L150S8-S14 WeakPolarHBondContact CB-OG 3.46Å; S8-S14 PolarHBondContact OG-OG 2.92Å; N10-S14 VanDerWaalsContact O-CB 3.31Å; N10-S14 WeakPolarHBondContact O-CB 3.09Å; N10-S14 PolarHBondContact O-OG 2.73Å; V11-S14 WeakPolarHBondContact CA-OG 3.47Å; V11-S14 PolarHBondContact O-N 3.32Å; V11-S14 PolarHBondContact O-OG 3.09Å; A12-S14 PolarHBondContact O-N 3.2Å; S14-K105 WeakPolarHBondContact O-CD 3.48Å; S14-K105 PolarHBondContact O-NZ 2.79Å; S14-L150 CarbonylContact C-O 3.56Å; S14-L150 WeakPolarHBondContact CA-O 3.5Å; S14-L150 VanDerWaalsContact CB-O 3.28Å; S14-L150 WeakPolarHBondContact CB-O 3.38Å
15C94.7Very high93.5Very high0 Ų062.4 Ų62.40%032%0.324CS..EExtended strand (participates in β ladder)trans-122.6154.8170.576.70000110.3A98 N101 A102 K105 L107 I149 L150C15-A98 PolarHBondContact SG-O 3.46Å; C15-N101 HydrophobicContact CB-CB 4.33Å; C15-A102 HydrophobicContact CB-CB 4.11Å; C15-K105 HydrophobicContact CB-CD 4.49Å; C15-L107 HydrophobicContact CB-CD1 4.35Å; C15-I149 WeakPolarHBondContact O-CA 3.43Å; C15-L150 PolarHBondContact N-O 3.02Å; C15-L150 PolarHBondContact O-N 3.21Å; C15-L150 VanDerWaalsContact SG-CB 3.6Å
16K95.1Very high93.8Very high47 Ų4760 Ų6020%0.20431%0.305CS..EExtended strand (participates in β ladder)trans-126.7147.6-177.6-56.2-175.2-178.5173.70109.3Y4 E7 N101 V148 I149Y4-K16 HydrophobicContact CD1-CD 4.29Å; Y4-K16 HydrophobicContact CD2-CD 4.06Å; Y4-K16 HydrophobicContact CE1-CB 3.91Å; Y4-K16 HydrophobicContact CE1-CD 4.26Å; Y4-K16 HydrophobicContact CE1-CG 4.48Å; Y4-K16 HydrophobicContact CE2-CB 4.32Å; Y4-K16 HydrophobicContact CE2-CD 4.04Å; Y4-K16 HydrophobicContact CG-CD 4.2Å; E7-K16 VanDerWaalsContact CD-NZ 3.3Å; E7-K16 IonicContact OE1-NZ 2.86Å; E7-K16 PolarHBondContact OE1-NZ 3.33Å; E7-K16 IonicContact OE2-NZ 3.62Å; E7-K16 PolarHBondContact OE2-NZ 3.18Å; K16-N101 PolarHBondContact O-ND2 3.17Å; K16-N101 VanDerWaalsContact O-ND2 3.09Å; K16-V148 WeakPolarHBondContact CA-O 3.35Å; K16-I149 HydrophobicContact CG-CG1 4.17Å; K16-I149 HydrophobicContact CG-CG2 4.32Å
17A95.9Very high94.1Very high3 Ų359.8 Ų59.83%0.02531%0.307CS..EExtended strand (participates in β ladder)trans-142152.617000000110Y4 L94 A98 E147 V148Y4-A17 PolarHBondContact OH-O 3.48Å; A17-L94 HydrophobicContact CB-CD1 3.76Å; A17-L94 HydrophobicContact CB-CG 4.26Å; A17-A98 HydrophobicContact CB-CB 3.71Å; A17-E147 WeakPolarHBondContact O-CA 3.27Å; A17-V148 PolarHBondContact N-O 2.81Å; A17-V148 PolarHBondContact O-N 3.27Å
18R95.7Very high94.5Very high63 Ų6356.8 Ų56.824%0.23829%0.294CS..EExtended strand (participates in β ladder)trans-146.7141.7178.7176.5178.6-72.5161.5-6.3111.6G2 R3 Y4 V146 E147G2-R18 PolarHBondContact O-NH1 3.48Å; R3-R18 PolarHBondContact O-NH2 3.06Å; Y4-R18 HydrophobicContact CE1-CB 4.48Å; R18-V146 CarbonylContact C-O 3.47Å; R18-V146 WeakPolarHBondContact CA-O 3.34Å; R18-V146 WeakPolarHBondContact CG-O 3.12Å; R18-E147 IonicContact CZ-OE2 3.3Å; R18-E147 IonicContact NE-OE2 3.31Å; R18-E147 IonicContact NH2-OE2 3.6Å; R18-E147 PolarHBondContact NH2-OE2 3.5Å
19G94.7Very high94.9Very high9 Ų956.4 Ų56.49%0.09329%0.292CS..EExtended strand (participates in β ladder)trans-121.4107.4165.800000110.9H145 V146G19-H145 WeakPolarHBondContact O-CA 3.46Å; G19-V146 PolarHBondContact N-O 2.97Å; G19-V146 PolarHBondContact O-N 2.94Å
20P94.7Very high95.4Very high80 Ų8050.4 Ų50.452%0.51926%0.259SS..EExtended strand (participates in β ladder)trans-81.7151.1173.632.6-32.6000111.9L22 H145P20-L22 PolarHBondContact O-N 3.08Å; P20-L22 VanDerWaalsContact O-N 3.1Å; P20-H145 WeakPolarHBondContact CA-ND1 3.27Å
21N94.8Very high95.8Very high107 Ų10747.3 Ų47.357%0.57224%0.243SC*.EExtended strand (participates in β ladder)trans52.235170.6-66.3-37.9000114.9R23 H145N21-R23 PolarHBondContact O-N 3.42Å; N21-H145 PolarHBondContact N-ND1 3.27Å; N21-H145 VanDerWaalsContact N-ND1 3.11Å; N21-H145 PolarHBondContact OD1-CE1 2.71Å
22L96Very high96.2Very high32 Ų3243.4 Ų43.417%0.16822%0.219CC..EExtended strand (participates in β ladder)trans-66.9127-180-56.8179.3000109.8P20 V24 F90 P143 C144 V146P20-L22 PolarHBondContact O-N 3.08Å; P20-L22 VanDerWaalsContact O-N 3.1Å; L22-V24 HydrophobicContact CB-CG2 4.02Å; L22-V24 PolarHBondContact O-N 3.07Å; L22-F90 HydrophobicContact CB-CD1 4.1Å; L22-F90 HydrophobicContact CB-CE1 4.23Å; L22-F90 HydrophobicContact CD1-CD1 4.12Å; L22-F90 HydrophobicContact CD2-CD1 3.97Å; L22-F90 HydrophobicContact CD2-CE1 4.07Å; L22-F90 HydrophobicContact CG-CD1 4.28Å; L22-P143 WeakPolarHBondContact O-CA 3.49Å; L22-P143 WeakPolarHBondContact O-CB 3.45Å; L22-C144 WeakPolarHBondContact CB-O 3.33Å; L22-C144 PolarHBondContact N-O 2.86Å; L22-C144 PolarHBondContact O-N 2.87Å; L22-V146 HydrophobicContact CD1-CB 4.11Å; L22-V146 HydrophobicContact CD1-CG2 3.79Å
23R96Very high96.5Very high151 Ų15139.8 Ų39.857%0.5719%0.189SC*.  trans-80.155.8-179.4-162.6178.9176.6-174.20.3112.1N21 K86N21-R23 PolarHBondContact O-N 3.42Å; R23-K86 WeakPolarHBondContact O-CE 3.35Å; R23-K86 PolarHBondContact O-NZ 3.41Å
24V97Very high96.6Very high4 Ų440.1 Ų40.12%0.02419%0.192CC..SBendtrans-121.6160.1174.3-63.20000109.9L22 F26 T29 K86 F90 P143 C144L22-V24 HydrophobicContact CB-CG2 4.02Å; L22-V24 PolarHBondContact O-N 3.07Å; V24-F26 PolarHBondContact O-N 3.44Å; V24-T29 HydrophobicContact CG2-CG2 4.22Å; V24-T29 WeakPolarHBondContact CG2-OG1 3.31Å; V24-K86 HydrophobicContact CG1-CD 4.08Å; V24-K86 HydrophobicContact CG1-CG 3.94Å; V24-F90 HydrophobicContact CG1-CB 4.09Å; V24-F90 HydrophobicContact CG1-CD1 3.9Å; V24-F90 HydrophobicContact CG1-CD2 3.34Å; V24-F90 HydrophobicContact CG1-CE1 4.12Å; V24-F90 HydrophobicContact CG1-CE2 3.59Å; V24-F90 HydrophobicContact CG1-CG 3.48Å; V24-F90 VanDerWaalsContact CG1-CG 3.48Å; V24-F90 HydrophobicContact CG1-CZ 3.97Å; V24-P143 WeakPolarHBondContact O-CA 3.43Å; V24-C144 WeakPolarHBondContact CG2-SG 3.44Å
25H97.7Very high96.8Very high89 Ų8940.5 Ų40.541%0.41220%0.195SC..  trans-76.8111.3-175.9-170.9-88.2000110.6K27 N28 T29H25-K27 VanDerWaalsContact C-N 3.28Å; H25-K27 PolarHBondContact ND1-N 2.85Å; H25-K27 PolarHBondContact O-N 3.05Å; H25-K27 VanDerWaalsContact O-N 3.07Å; H25-N28 HydrophobicContact CB-CB 4.34Å; H25-N28 PolarHBondContact O-N 2.72Å; H25-T29 PolarHBondContact O-N 2.78Å; H25-T29 VanDerWaalsContact O-N 3.07Å; H25-T29 PolarHBondContact O-OG1 3.34Å
26F98Very high96.9Very high18 Ų1840.5 Ų40.58%0.07920%0.195CC..Hα-helixtrans-42-49.9-176.6168.3-98.7000114.2V24 N28 T29 H30 F63 V119 R121 S142 C144V24-F26 PolarHBondContact O-N 3.44Å; F26-N28 VanDerWaalsContact C-N 3.34Å; F26-N28 PolarHBondContact O-N 3.34Å; F26-T29 PolarHBondContact O-N 3.22Å; F26-H30 WeakPolarHBondContact O-CB 3.28Å; F26-H30 PolarHBondContact O-N 3.01Å; F26-F63 HydrophobicContact CE1-CE2 4.11Å; F26-F63 AromaticContact CE1-CZ 3.9Å; F26-F63 HydrophobicContact CE1-CZ 3.9Å; F26-V119 HydrophobicContact CD2-CG1 3.81Å; F26-V119 HydrophobicContact CE2-CB 4.5Å; F26-V119 HydrophobicContact CE2-CG1 3.93Å; F26-V119 WeakPolarHBondContact CE2-O 3.12Å; F26-R121 HydrophobicContact CD1-CG 3.81Å; F26-R121 HydrophobicContact CD2-CB 4.34Å; F26-R121 HydrophobicContact CD2-CG 3.63Å; F26-R121 HydrophobicContact CE1-CG 3.78Å; F26-R121 HydrophobicContact CE2-CB 4.43Å; F26-R121 HydrophobicContact CE2-CG 3.59Å; F26-R121 HydrophobicContact CG-CG 3.75Å; F26-R121 HydrophobicContact CZ-CG 3.67Å; F26-S142 PolarHBondContact N-O 2.91Å; F26-S142 VanDerWaalsContact N-O 3.07Å; F26-C144 HydrophobicContact CB-CB 4.24Å; F26-C144 HydrophobicContact CD2-CB 3.93Å
27K98.2Very high97Very high94 Ų9441.6 Ų41.641%0.40920%0.2SC..Hα-helixtrans-63.2-40.4-176.6-60.4-175.9177.1179.10112.1H25 H30 E31 F63H25-K27 VanDerWaalsContact C-N 3.28Å; H25-K27 PolarHBondContact ND1-N 2.85Å; H25-K27 PolarHBondContact O-N 3.05Å; H25-K27 VanDerWaalsContact O-N 3.07Å; K27-H30 PolarHBondContact O-N 3.22Å; K27-E31 WeakPolarHBondContact O-CG 3.19Å; K27-E31 PolarHBondContact O-N 3.39Å; K27-E31 VanDerWaalsContact O-N 3.14Å; K27-F63 HydrophobicContact CB-CB 3.97Å; K27-F63 HydrophobicContact CB-CD1 4.38Å; K27-F63 HydrophobicContact CB-CD2 3.61Å; K27-F63 HydrophobicContact CB-CE2 4.18Å; K27-F63 HydrophobicContact CB-CG 3.73Å; K27-F63 HydrophobicContact CD-CB 4.01Å; K27-F63 HydrophobicContact CD-CD1 3.66Å; K27-F63 HydrophobicContact CD-CD2 4.42Å; K27-F63 HydrophobicContact CD-CE1 4.24Å; K27-F63 HydrophobicContact CD-CG 3.77Å; K27-F63 HydrophobicContact CG-CB 4.28Å; K27-F63 HydrophobicContact CG-CD1 3.86Å; K27-F63 HydrophobicContact CG-CD2 3.86Å; K27-F63 HydrophobicContact CG-CE1 4.12Å; K27-F63 HydrophobicContact CG-CE2 4.11Å; K27-F63 HydrophobicContact CG-CG 3.72Å; K27-F63 HydrophobicContact CG-CZ 4.24Å
28N98.3Very high96.9Very high43 Ų4351 Ų5123%0.2323%0.234CC..Hα-helixtrans-70.3-45-178.1-64.2-5.1000109.6H25 F26 H30 E31 T32 F60 P84H25-N28 HydrophobicContact CB-CB 4.34Å; H25-N28 PolarHBondContact O-N 2.72Å; F26-N28 VanDerWaalsContact C-N 3.34Å; F26-N28 PolarHBondContact O-N 3.34Å; N28-H30 VanDerWaalsContact C-N 3.3Å; N28-H30 PolarHBondContact O-N 2.97Å; N28-E31 PolarHBondContact O-N 2.6Å; N28-T32 PolarHBondContact O-N 3.27Å; N28-T32 PolarHBondContact O-OG1 3Å; N28-F60 HydrophobicContact CB-CZ 4.46Å; N28-P84 HydrophobicContact CB-CB 3.88Å
29T98.4Very high97Very high1 Ų149 Ų491%0.00623%0.228CC..Hα-helixtrans-64.1-36.5178-46.10000111.6V24 H25 F26 T32 A33 S87 L91 V119 V146V24-T29 HydrophobicContact CG2-CG2 4.22Å; V24-T29 WeakPolarHBondContact CG2-OG1 3.31Å; H25-T29 PolarHBondContact O-N 2.78Å; H25-T29 VanDerWaalsContact O-N 3.07Å; H25-T29 PolarHBondContact O-OG1 3.34Å; F26-T29 PolarHBondContact O-N 3.22Å; T29-T32 PolarHBondContact O-N 2.71Å; T29-A33 WeakPolarHBondContact O-CB 3.42Å; T29-A33 PolarHBondContact O-N 3.01Å; T29-S87 PolarHBondContact N-OG 3.37Å; T29-S87 PolarHBondContact OG1-OG 3.1Å; T29-L91 HydrophobicContact CG2-CD1 4.44Å; T29-L91 HydrophobicContact CG2-CD2 4.37Å; T29-L91 HydrophobicContact CG2-CG 4.36Å; T29-V119 HydrophobicContact CG2-CG1 4.25Å; T29-V119 HydrophobicContact CG2-CG2 4.24Å; T29-V146 HydrophobicContact CG2-CG2 3.94Å
30H98.2Very high97.1Very high13 Ų1351.6 Ų51.66%0.0624%0.244CC..Hα-helixtrans-60.8-50173.1177.2-79.5000111.9F26 K27 N28 A33 Q34 R62 F63 V119F26-H30 WeakPolarHBondContact O-CB 3.28Å; F26-H30 PolarHBondContact O-N 3.01Å; K27-H30 PolarHBondContact O-N 3.22Å; N28-H30 VanDerWaalsContact C-N 3.3Å; N28-H30 PolarHBondContact O-N 2.97Å; H30-A33 PolarHBondContact O-N 2.76Å; H30-Q34 WeakPolarHBondContact O-CG 3.48Å; H30-Q34 PolarHBondContact O-N 2.71Å; H30-R62 PolarHBondContact CE1-NH1 3.25Å; H30-R62 PolarHBondContact NE2-NH1 3.17Å; H30-F63 HydrophobicContact CB-CE2 4.12Å; H30-F63 AromaticContact CG-CE2 3.92Å; H30-F63 AromaticContact ND1-CE2 3.82Å; H30-V119 HydrophobicContact CB-CB 4.42Å
31E98.3Very high97.2Very high6 Ų647.9 Ų47.93%0.02822%0.219CC..Hα-helixtrans-62.6-43.4178.3-61.3-64.5159.400111.4K27 N28 A33 Q34 A35 V58 F60 R61 R62 F63K27-E31 WeakPolarHBondContact O-CG 3.19Å; K27-E31 PolarHBondContact O-N 3.39Å; K27-E31 VanDerWaalsContact O-N 3.14Å; N28-E31 PolarHBondContact O-N 2.6Å; E31-A33 PolarHBondContact O-N 3.43Å; E31-Q34 PolarHBondContact O-N 3.02Å; E31-A35 PolarHBondContact O-N 3.19Å; E31-V58 HydrophobicContact CB-CG1 4.01Å; E31-F60 HydrophobicContact CB-CD1 4.49Å; E31-F60 HydrophobicContact CB-CD2 4.33Å; E31-F60 HydrophobicContact CB-CE2 4.34Å; E31-F60 HydrophobicContact CB-CG 4.39Å; E31-F60 HydrophobicContact CB-CZ 4.44Å; E31-F60 HydrophobicContact CG-CB 4.48Å; E31-F60 HydrophobicContact CG-CD1 3.85Å; E31-F60 HydrophobicContact CG-CD2 4.46Å; E31-F60 HydrophobicContact CG-CE1 4.13Å; E31-F60 HydrophobicContact CG-CG 4.03Å; E31-R61 PolarHBondContact OE2-N 2.81Å; E31-R62 WeakPolarHBondContact OE1-CA 3.37Å; E31-R62 WeakPolarHBondContact OE1-CB 3.11Å; E31-R62 PolarHBondContact OE1-N 2.94Å; E31-F63 HydrophobicContact CG-CD2 4.39Å; E31-F63 WeakPolarHBondContact OE1-CD2 3.26Å; E31-F63 PolarHBondContact OE1-N 2.85Å
32T98.2Very high97.2Very high0 Ų047.8 Ų47.80%021%0.211CC..Hα-helixtrans-64-40.4176.7-48.50000112.2N28 T29 A35 I36 L48 V58 P84 L91N28-T32 PolarHBondContact O-N 3.27Å; N28-T32 PolarHBondContact O-OG1 3Å; T29-T32 PolarHBondContact O-N 2.71Å; T32-A35 WeakPolarHBondContact O-CB 3.42Å; T32-A35 PolarHBondContact O-N 3.4Å; T32-I36 PolarHBondContact O-N 2.87Å; T32-L48 HydrophobicContact CG2-CD2 3.56Å; T32-V58 HydrophobicContact CG2-CG2 3.99Å; T32-P84 WeakPolarHBondContact OG1-CG 3.44Å; T32-L91 HydrophobicContact CG2-CD1 3.56Å
33A98.1Very high97.3Very high1 Ų148.7 Ų48.71%0.00821%0.212CC..Hα-helixtrans-64-43.5177.100000111.9T29 H30 E31 A35 I36 K37 L91 I117 V119T29-A33 WeakPolarHBondContact O-CB 3.42Å; T29-A33 PolarHBondContact O-N 3.01Å; H30-A33 PolarHBondContact O-N 2.76Å; E31-A33 PolarHBondContact O-N 3.43Å; A33-A35 VanDerWaalsContact C-N 3.26Å; A33-A35 PolarHBondContact O-N 3.37Å; A33-I36 VanDerWaalsContact O-CG1 3.28Å; A33-I36 WeakPolarHBondContact O-CG1 3.5Å; A33-I36 PolarHBondContact O-N 3.17Å; A33-K37 PolarHBondContact O-N 3.45Å; A33-K37 VanDerWaalsContact O-N 3.15Å; A33-L91 HydrophobicContact CB-CD1 4.42Å; A33-I117 HydrophobicContact CB-CD1 3.57Å; A33-I117 HydrophobicContact CB-CG1 3.86Å; A33-I117 HydrophobicContact CB-CG2 4.35Å; A33-I117 VanDerWaalsContact O-CG2 3.26Å; A33-I117 WeakPolarHBondContact O-CG2 3.45Å; A33-V119 HydrophobicContact CB-CG2 3.43Å; A33-V119 VanDerWaalsContact CB-CG2 3.43Å
34Q97.3Very high97.4Very high81 Ų8141.5 Ų41.538%0.37919%0.185SC..Hα-helixtrans-64.4-32.6175.7-66.6-57.9-23.700112.1H30 E31 K37H30-Q34 WeakPolarHBondContact O-CG 3.48Å; H30-Q34 PolarHBondContact O-N 2.71Å; E31-Q34 PolarHBondContact O-N 3.02Å; Q34-K37 WeakPolarHBondContact O-CB 3.25Å; Q34-K37 PolarHBondContact O-N 2.99Å
35A97.4Very high97.4Very high9 Ų942.3 Ų42.37%0.07419%0.189CC..Hα-helixtrans-66-36.3177.300000113.1E31 T32 A33 M39 Y47 V58 P59 W76E31-A35 PolarHBondContact O-N 3.19Å; T32-A35 WeakPolarHBondContact O-CB 3.42Å; T32-A35 PolarHBondContact O-N 3.4Å; A33-A35 VanDerWaalsContact C-N 3.26Å; A33-A35 PolarHBondContact O-N 3.37Å; A35-M39 VanDerWaalsContact O-CE 3.31Å; A35-M39 WeakPolarHBondContact O-CE 3.21Å; A35-Y47 HydrophobicContact CB-CE1 3.97Å; A35-V58 HydrophobicContact CB-CG1 4.42Å; A35-P59 HydrophobicContact CB-CG 4.33Å; A35-W76 HydrophobicContact CB-CH2 4.49Å
36I97.4Very high97.4Very high0 Ų045.5 Ų45.50%020%0.197CC..Hα-helixtrans-88.2-7.4178.662.9173.8000114.1T32 A33 R38 M39 A44 Y47 L48 L91 L95 I117T32-I36 PolarHBondContact O-N 2.87Å; A33-I36 VanDerWaalsContact O-CG1 3.28Å; A33-I36 WeakPolarHBondContact O-CG1 3.5Å; A33-I36 PolarHBondContact O-N 3.17Å; I36-R38 PolarHBondContact O-N 3.17Å; I36-M39 HydrophobicContact CB-SD 4.38Å; I36-M39 HydrophobicContact CG2-SD 4.27Å; I36-M39 WeakPolarHBondContact O-CB 3.39Å; I36-M39 PolarHBondContact O-N 2.76Å; I36-M39 VanDerWaalsContact O-N 3.13Å; I36-A44 HydrophobicContact CB-CB 4.21Å; I36-A44 HydrophobicContact CG2-CB 4.33Å; I36-Y47 HydrophobicContact CG2-CD1 3.56Å; I36-Y47 HydrophobicContact CG2-CE1 3.98Å; I36-L48 HydrophobicContact CD1-CD1 4.35Å; I36-L48 HydrophobicContact CG2-CD2 3.91Å; I36-L48 HydrophobicContact CG2-CG 4.11Å; I36-L91 HydrophobicContact CD1-CD1 4.17Å; I36-L95 HydrophobicContact CD1-CD1 4.34Å; I36-I117 HydrophobicContact CD1-CD1 3.67Å; I36-I117 HydrophobicContact CG1-CD1 4.01Å
37K96.3Very high97.4Very high70 Ų7044.7 Ų44.730%0.30419%0.193SC..THydrogen-bonded Turntrans-60.8132.9178.8-168.4175.8-176.5177.80109.8A33 Q34 M39 I117A33-K37 PolarHBondContact O-N 3.45Å; A33-K37 VanDerWaalsContact O-N 3.15Å; Q34-K37 WeakPolarHBondContact O-CB 3.25Å; Q34-K37 PolarHBondContact O-N 2.99Å; K37-M39 PolarHBondContact O-N 3.28Å; K37-I117 HydrophobicContact CB-CG2 3.78Å; K37-I117 HydrophobicContact CD-CG2 4.35Å; K37-I117 HydrophobicContact CG-CG2 3.95Å
38R95.2Very high97.4Very high199 Ų19940.2 Ų40.275%0.75117%0.174SC*.THydrogen-bonded Turntrans67.58.4-175.7-56.9171.2175.8-177.9-3115.7I36 V114I36-R38 PolarHBondContact O-N 3.17Å; R38-V114 VanDerWaalsContact CA-O 3.24Å; R38-V114 WeakPolarHBondContact CA-O 3.46Å; R38-V114 PolarHBondContact N-O 3.25Å
39M96.5Very high97.4Very high22 Ų2243.1 Ų43.111%0.10819%0.185CC..  trans-77.1148.4170.6-71.1-171.617200111.4A35 I36 K37 R43 A44 Y47 W76 V114A35-M39 VanDerWaalsContact O-CE 3.31Å; A35-M39 WeakPolarHBondContact O-CE 3.21Å; I36-M39 HydrophobicContact CB-SD 4.38Å; I36-M39 HydrophobicContact CG2-SD 4.27Å; I36-M39 WeakPolarHBondContact O-CB 3.39Å; I36-M39 PolarHBondContact O-N 2.76Å; I36-M39 VanDerWaalsContact O-N 3.13Å; K37-M39 PolarHBondContact O-N 3.28Å; M39-R43 HydrophobicContact SD-CG 4.08Å; M39-A44 HydrophobicContact CB-CB 3.99Å; M39-A44 HydrophobicContact SD-CB 4.32Å; M39-Y47 HydrophobicContact CE-CG 4.35Å; M39-Y47 HydrophobicContact SD-CG 4.45Å; M39-W76 HydrophobicContact CE-CH2 3.48Å; M39-W76 VanDerWaalsContact CE-CH2 3.48Å; M39-W76 HydrophobicContact CE-CZ2 4.21Å; M39-W76 HydrophobicContact CE-CZ3 4.45Å; M39-V114 PolarHBondContact O-N 3.04Å
40P96.8Very high97.4Very high64 Ų6443.7 Ų43.742%0.41619%0.189SC..BIsolated β-bridgetrans-56.4143.8159.9-21.232.1000110.6R42 R43 A44P40-R42 VanDerWaalsContact C-N 3.32Å; P40-R42 PolarHBondContact O-N 3.06Å; P40-R43 HydrophobicContact CB-CB 4.32Å; P40-R43 HydrophobicContact CG-CB 4.45Å; P40-R43 PolarHBondContact O-N 3.43Å; P40-R43 VanDerWaalsContact O-N 3.08Å; P40-A44 PolarHBondContact O-N 3.02Å
41L96.8Very high97.4Very high1 Ų143.1 Ų43.11%0.00519%0.187CC..Hα-helixtrans-52.6-49-176.3176.761.8000111.8R43 A44 Q45 L95 E99 L112 L150L41-R43 PolarHBondContact O-N 2.79Å; L41-A44 WeakPolarHBondContact O-CB 3.43Å; L41-A44 PolarHBondContact O-N 3.5Å; L41-Q45 HydrophobicContact CD1-CG 4.3Å; L41-Q45 WeakPolarHBondContact O-CG 3.3Å; L41-Q45 PolarHBondContact O-N 3.42Å; L41-L95 HydrophobicContact CD1-CB 4.09Å; L41-L95 HydrophobicContact CD1-CD1 4.43Å; L41-L95 HydrophobicContact CD1-CD2 3.98Å; L41-L95 HydrophobicContact CD1-CG 4.4Å; L41-E99 HydrophobicContact CD2-CB 4.07Å; L41-E99 HydrophobicContact CD2-CG 4.09Å; L41-L112 HydrophobicContact CB-CB 4.03Å; L41-L112 HydrophobicContact CD2-CB 4.2Å; L41-L112 HydrophobicContact CD2-CD1 3.89Å; L41-L112 PolarHBondContact N-O 3.5Å; L41-L150 HydrophobicContact CD1-CD1 3.94Å; L41-L150 HydrophobicContact CD2-CD1 4.13Å
42R96Very high97.4Very high105 Ų10544.7 Ų44.740%0.39620%0.195SC..Hα-helixtrans-60.7-41.5179.1-59.7-58.4-171.5-178.14.7112.9P40 R46 E99 D110P40-R42 VanDerWaalsContact C-N 3.32Å; P40-R42 PolarHBondContact O-N 3.06Å; R42-R46 WeakPolarHBondContact O-CB 3.4Å; R42-R46 PolarHBondContact O-N 2.86Å; R42-E99 IonicContact CZ-OE1 3.8Å; R42-E99 IonicContact NH1-OE1 3.62Å; R42-E99 PolarHBondContact NH1-OE1 3.07Å; R42-E99 IonicContact NH2-OE1 2.65Å; R42-D110 IonicContact CZ-OD1 2.97Å; R42-D110 VanDerWaalsContact CZ-OD1 3.31Å; R42-D110 IonicContact NE-OD1 3.35Å; R42-D110 PolarHBondContact NE-OD1 3.04Å; R42-D110 IonicContact NH2-OD1 2.75Å; R42-D110 PolarHBondContact NH2-OD1 2.94Å
43R96.9Very high97.4Very high52 Ų5249.2 Ų49.220%0.19622%0.219CC..Hα-helixtrans-66.6-41.8175.6173.657.7-178.5127.4-1.6111M39 P40 L41 R46 Y47 E56M39-R43 HydrophobicContact SD-CG 4.08Å; P40-R43 HydrophobicContact CB-CB 4.32Å; P40-R43 HydrophobicContact CG-CB 4.45Å; P40-R43 PolarHBondContact O-N 3.43Å; P40-R43 VanDerWaalsContact O-N 3.08Å; L41-R43 PolarHBondContact O-N 2.79Å; R43-R46 PolarHBondContact O-N 2.52Å; R43-Y47 VanDerWaalsContact O-CB 3.25Å; R43-Y47 WeakPolarHBondContact O-CB 3.48Å; R43-Y47 PolarHBondContact O-N 3.07Å; R43-E56 IonicContact CZ-OE1 3.27Å; R43-E56 IonicContact CZ-OE2 2.78Å; R43-E56 IonicContact NH1-OE1 3.77Å; R43-E56 PolarHBondContact NH1-OE1 2.98Å; R43-E56 IonicContact NH1-OE2 3.49Å; R43-E56 PolarHBondContact NH1-OE2 3.02Å; R43-E56 IonicContact NH2-OE1 2.81Å; R43-E56 PolarHBondContact NH2-OE1 3.25Å; R43-E56 IonicContact NH2-OE2 3.5Å; R43-E56 PolarHBondContact NH2-OE2 3.26Å
44A97.8Very high97.3Very high0 Ų055 Ų550%025%0.246CC..Hα-helixtrans-61.8-46.3177.600000111.5I36 M39 P40 L41 R46 Y47 L48 L95 V114I36-A44 HydrophobicContact CB-CB 4.21Å; I36-A44 HydrophobicContact CG2-CB 4.33Å; M39-A44 HydrophobicContact CB-CB 3.99Å; M39-A44 HydrophobicContact SD-CB 4.32Å; P40-A44 PolarHBondContact O-N 3.02Å; L41-A44 WeakPolarHBondContact O-CB 3.43Å; L41-A44 PolarHBondContact O-N 3.5Å; A44-R46 PolarHBondContact O-N 3.05Å; A44-Y47 WeakPolarHBondContact O-CB 3.37Å; A44-Y47 PolarHBondContact O-N 3.44Å; A44-L48 WeakPolarHBondContact O-CG 3.29Å; A44-L48 PolarHBondContact O-N 2.99Å; A44-L95 HydrophobicContact CB-CD1 3.96Å; A44-V114 HydrophobicContact CB-CG2 4.3Å
45Q97.6Very high97.3Very high21 Ų2158.1 Ų58.110%0.09826%0.258CS..Hα-helixtrans-61.5-45.4176.1-69.5-179.1-10.200111.9L41 L48 K49 L92 L95 E99L41-Q45 HydrophobicContact CD1-CG 4.3Å; L41-Q45 WeakPolarHBondContact O-CG 3.3Å; L41-Q45 PolarHBondContact O-N 3.42Å; Q45-L48 PolarHBondContact O-N 2.93Å; Q45-K49 WeakPolarHBondContact O-CG 3.27Å; Q45-K49 PolarHBondContact O-N 2.92Å; Q45-L92 HydrophobicContact CB-CD1 4.04Å; Q45-L92 HydrophobicContact CG-CD1 4.09Å; Q45-L95 HydrophobicContact CG-CB 4.47Å; Q45-L95 HydrophobicContact CG-CD1 4.33Å; Q45-E99 PolarHBondContact NE2-OE2 3.4Å
46R98Very high97.3Very high156 Ų15659.3 Ų59.359%0.58926%0.262SS*.Hα-helixtrans-62.3-42.4176.4-176.3168.165.5-131.53.9111.9R42 R43 A44 K49 A50R42-R46 WeakPolarHBondContact O-CB 3.4Å; R42-R46 PolarHBondContact O-N 2.86Å; R43-R46 PolarHBondContact O-N 2.52Å; A44-R46 PolarHBondContact O-N 3.05Å; R46-K49 PolarHBondContact O-N 2.93Å; R46-A50 WeakPolarHBondContact O-CB 3.43Å; R46-A50 PolarHBondContact O-N 3.11Å
47Y98.1Very high97.3Very high0 Ų059.4 Ų59.40%026%0.263CS..Hα-helixtrans-59-49.9175.5174.6-109.2000111.8A35 I36 M39 R43 A44 K49 A50 V51 E56 C57 V58 W76A35-Y47 HydrophobicContact CB-CE1 3.97Å; I36-Y47 HydrophobicContact CG2-CD1 3.56Å; I36-Y47 HydrophobicContact CG2-CE1 3.98Å; M39-Y47 HydrophobicContact CE-CG 4.35Å; M39-Y47 HydrophobicContact SD-CG 4.45Å; R43-Y47 VanDerWaalsContact O-CB 3.25Å; R43-Y47 WeakPolarHBondContact O-CB 3.48Å; R43-Y47 PolarHBondContact O-N 3.07Å; A44-Y47 WeakPolarHBondContact O-CB 3.37Å; A44-Y47 PolarHBondContact O-N 3.44Å; Y47-K49 VanDerWaalsContact C-N 3.33Å; Y47-K49 PolarHBondContact O-N 2.89Å; Y47-A50 CarbonylContact O-C 3.56Å; Y47-A50 WeakPolarHBondContact O-CA 3.38Å; Y47-A50 WeakPolarHBondContact O-CB 3.3Å; Y47-A50 PolarHBondContact O-N 2.79Å; Y47-A50 VanDerWaalsContact O-N 3.09Å; Y47-V51 HydrophobicContact CD1-CG2 4.25Å; Y47-V51 HydrophobicContact CD2-CG2 4.33Å; Y47-V51 HydrophobicContact CE1-CG2 3.84Å; Y47-V51 HydrophobicContact CE2-CG2 3.89Å; Y47-V51 WeakPolarHBondContact O-CG2 3.32Å; Y47-V51 PolarHBondContact O-N 2.71Å; Y47-E56 HydrophobicContact CD2-CB 4.08Å; Y47-E56 WeakPolarHBondContact CD2-OE2 3.49Å; Y47-E56 HydrophobicContact CE2-CB 3.85Å; Y47-E56 WeakPolarHBondContact CE2-OE2 3.37Å; Y47-C57 PolarHBondContact OH-O 2.97Å; Y47-V58 HydrophobicContact CE1-CG2 4.49Å; Y47-V58 VanDerWaalsContact OH-CA 3.31Å; Y47-V58 WeakPolarHBondContact OH-CA 3.44Å; Y47-W76 HydrophobicContact CD2-CZ2 4.3Å; Y47-W76 HydrophobicContact CE2-CH2 4.49Å; Y47-W76 AromaticContact CE2-CZ2 3.55Å; Y47-W76 HydrophobicContact CE2-CZ2 3.55Å; Y47-W76 AromaticContact CZ-CZ2 3.73Å
48L98.2Very high97.4Very high0 Ų056 Ų560%025%0.248CC..Hα-helixtrans-63.5-38.4-179.6-67.7177.2000112.2T32 I36 A44 Q45 V51 I52 A88 L91 L92 L95T32-L48 HydrophobicContact CG2-CD2 3.56Å; I36-L48 HydrophobicContact CD1-CD1 4.35Å; I36-L48 HydrophobicContact CG2-CD2 3.91Å; I36-L48 HydrophobicContact CG2-CG 4.11Å; A44-L48 WeakPolarHBondContact O-CG 3.29Å; A44-L48 PolarHBondContact O-N 2.99Å; Q45-L48 PolarHBondContact O-N 2.93Å; L48-V51 PolarHBondContact O-N 2.73Å; L48-I52 WeakPolarHBondContact O-CG1 3.38Å; L48-I52 PolarHBondContact O-N 3.04Å; L48-I52 VanDerWaalsContact O-N 3.07Å; L48-A88 HydrophobicContact CB-CB 4.45Å; L48-A88 HydrophobicContact CD2-CB 4.08Å; L48-L91 HydrophobicContact CD1-CB 3.8Å; L48-L92 HydrophobicContact CB-CD1 4.5Å; L48-L92 HydrophobicContact CD1-CB 4.3Å; L48-L95 HydrophobicContact CD1-CD1 3.83Å
49K98.4Very high97.5Very high105 Ų10546.9 Ų46.946%0.45721%0.214SC..Hα-helixtrans-61.3-44.6171-70.8176.3-179.2177.70111.3Q45 R46 Y47 V51 I52 D53 L92Q45-K49 WeakPolarHBondContact O-CG 3.27Å; Q45-K49 PolarHBondContact O-N 2.92Å; R46-K49 PolarHBondContact O-N 2.93Å; Y47-K49 VanDerWaalsContact C-N 3.33Å; Y47-K49 PolarHBondContact O-N 2.89Å; K49-V51 VanDerWaalsContact C-N 3.3Å; K49-V51 PolarHBondContact O-N 3.18Å; K49-I52 WeakPolarHBondContact O-CB 3.47Å; K49-I52 PolarHBondContact O-N 3.47Å; K49-I52 VanDerWaalsContact O-N 3.14Å; K49-D53 PolarHBondContact O-N 3.3Å; K49-L92 HydrophobicContact CG-CD2 4.18Å
50A98.1Very high97.6Very high13 Ų1346 Ų4611%0.10721%0.21CC..Hα-helixtrans-63.8-32.1176.100000113.2R46 Y47 D53 Q54 K55 E56R46-A50 WeakPolarHBondContact O-CB 3.43Å; R46-A50 PolarHBondContact O-N 3.11Å; Y47-A50 CarbonylContact O-C 3.56Å; Y47-A50 WeakPolarHBondContact O-CA 3.38Å; Y47-A50 WeakPolarHBondContact O-CB 3.3Å; Y47-A50 PolarHBondContact O-N 2.79Å; Y47-A50 VanDerWaalsContact O-N 3.09Å; A50-D53 CarbonylContact O-C 3.5Å; A50-D53 PolarHBondContact O-N 3.41Å; A50-Q54 PolarHBondContact O-N 3.09Å; A50-Q54 VanDerWaalsContact O-N 3.07Å; A50-K55 HydrophobicContact CB-CB 4.3Å; A50-K55 PolarHBondContact O-N 2.89Å; A50-E56 HydrophobicContact CB-CB 4.1Å; A50-E56 HydrophobicContact CB-CG 4Å; A50-E56 PolarHBondContact O-N 3.09Å
51V98.2Very high97.6Very high1 Ų150.2 Ų50.21%0.00622%0.218CC..Hα-helixtrans-67.3-39.7172.8171.50000111.4Y47 L48 K49 D53 Q54 E56 V58 W83 A88Y47-V51 HydrophobicContact CD1-CG2 4.25Å; Y47-V51 HydrophobicContact CD2-CG2 4.33Å; Y47-V51 HydrophobicContact CE1-CG2 3.84Å; Y47-V51 HydrophobicContact CE2-CG2 3.89Å; Y47-V51 WeakPolarHBondContact O-CG2 3.32Å; Y47-V51 PolarHBondContact O-N 2.71Å; L48-V51 PolarHBondContact O-N 2.73Å; K49-V51 VanDerWaalsContact C-N 3.3Å; K49-V51 PolarHBondContact O-N 3.18Å; V51-D53 VanDerWaalsContact C-N 3.31Å; V51-Q54 PolarHBondContact O-N 3.03Å; V51-Q54 VanDerWaalsContact O-N 3.15Å; V51-E56 WeakPolarHBondContact CA-O 3.36Å; V51-E56 WeakPolarHBondContact CG2-O 3.41Å; V51-V58 HydrophobicContact CG1-CG2 3.81Å; V51-V58 HydrophobicContact CG2-CG2 3.86Å; V51-W83 HydrophobicContact CG1-CB 4.49Å; V51-A88 HydrophobicContact CB-CB 4.4Å; V51-A88 HydrophobicContact CG1-CB 4.08Å
52I98Very high97.5Very high38 Ų3858 Ų5820%0.19525%0.247CC..Hα-helixtrans-62.3-42.2175.5-67.7164.4000110.3L48 K49 Q54 K85 A88 E89L48-I52 WeakPolarHBondContact O-CG1 3.38Å; L48-I52 PolarHBondContact O-N 3.04Å; L48-I52 VanDerWaalsContact O-N 3.07Å; K49-I52 WeakPolarHBondContact O-CB 3.47Å; K49-I52 PolarHBondContact O-N 3.47Å; K49-I52 VanDerWaalsContact O-N 3.14Å; I52-Q54 PolarHBondContact O-N 3.43Å; I52-K85 HydrophobicContact CG1-CG 4.48Å; I52-K85 HydrophobicContact CG2-CG 4.31Å; I52-A88 HydrophobicContact CD1-CB 4.33Å; I52-A88 HydrophobicContact CG1-CB 3.87Å; I52-E89 HydrophobicContact CD1-CG 3.78Å; I52-E89 HydrophobicContact CG1-CG 4.25Å
53D97.9Very high97.6Very high96 Ų9655.1 Ų55.151%0.51324%0.237SC..THydrogen-bonded Turntrans-78.61.8176.5-64.8-11.9000113.8K49 A50 V51 K55K49-D53 PolarHBondContact O-N 3.3Å; A50-D53 CarbonylContact O-C 3.5Å; A50-D53 PolarHBondContact O-N 3.41Å; V51-D53 VanDerWaalsContact C-N 3.31Å; D53-K55 HydrophobicContact CB-CD 4.05Å; D53-K55 HydrophobicContact CB-CG 4.07Å; D53-K55 PolarHBondContact O-N 3.11Å; D53-K55 IonicContact OD2-NZ 2.6Å
54Q97Very high97.5Very high123 Ų12355.6 Ų55.658%0.57524%0.244SC*.THydrogen-bonded Turntrans59.920.1-177.6-51.1-179.615.200115.9A50 V51 I52 Q72 W83A50-Q54 PolarHBondContact O-N 3.09Å; A50-Q54 VanDerWaalsContact O-N 3.07Å; V51-Q54 PolarHBondContact O-N 3.03Å; V51-Q54 VanDerWaalsContact O-N 3.15Å; I52-Q54 PolarHBondContact O-N 3.43Å; Q54-Q72 PolarHBondContact O-NE2 2.98Å; Q54-W83 VanDerWaalsContact CA-CD1 3.44Å; Q54-W83 HydrophobicContact CB-CD2 4.33Å; Q54-W83 HydrophobicContact CB-CG 4.05Å; Q54-W83 HydrophobicContact CG-CB 4.06Å; Q54-W83 HydrophobicContact CG-CD2 4.45Å; Q54-W83 HydrophobicContact CG-CG 3.97Å; Q54-W83 PolarHBondContact O-NE1 3.37Å
55K97.2Very high97.5Very high146 Ų14659.1 Ų59.164%0.63528%0.28SS*.SBendtrans-82.1-32.9178.8-66.6175-179165.90112.8A50 D53 Q72A50-K55 HydrophobicContact CB-CB 4.3Å; A50-K55 PolarHBondContact O-N 2.89Å; D53-K55 HydrophobicContact CB-CD 4.05Å; D53-K55 HydrophobicContact CB-CG 4.07Å; D53-K55 PolarHBondContact O-N 3.11Å; D53-K55 IonicContact OD2-NZ 2.6Å; K55-Q72 PolarHBondContact O-NE2 3.45Å
56E96.9Very high97.4Very high34 Ų3461.7 Ų61.716%0.15931%0.312CS..SBendtrans-123.2140171.6-68.1-169.7-125.700109.8R43 Y47 A50 V51 Q72 W83R43-E56 IonicContact CZ-OE1 3.27Å; R43-E56 IonicContact CZ-OE2 2.78Å; R43-E56 IonicContact NH1-OE1 3.77Å; R43-E56 PolarHBondContact NH1-OE1 2.98Å; R43-E56 IonicContact NH1-OE2 3.49Å; R43-E56 PolarHBondContact NH1-OE2 3.02Å; R43-E56 IonicContact NH2-OE1 2.81Å; R43-E56 PolarHBondContact NH2-OE1 3.25Å; R43-E56 IonicContact NH2-OE2 3.5Å; R43-E56 PolarHBondContact NH2-OE2 3.26Å; Y47-E56 HydrophobicContact CD2-CB 4.08Å; Y47-E56 WeakPolarHBondContact CD2-OE2 3.49Å; Y47-E56 HydrophobicContact CE2-CB 3.85Å; Y47-E56 WeakPolarHBondContact CE2-OE2 3.37Å; A50-E56 HydrophobicContact CB-CB 4.1Å; A50-E56 HydrophobicContact CB-CG 4Å; A50-E56 PolarHBondContact O-N 3.09Å; V51-E56 WeakPolarHBondContact CA-O 3.36Å; V51-E56 WeakPolarHBondContact CG2-O 3.41Å; E56-Q72 VanDerWaalsContact C-OE1 3.29Å; E56-W83 PolarHBondContact O-NE1 3.15Å
57C97.7Very high97.4Very high1 Ų154.6 Ų54.61%0.00729%0.286CS..PPolyproline II helixtrans-93.3156.4178.377.90000112Y47 C70 Q72 A73 W76 W83Y47-C57 PolarHBondContact OH-O 2.97Å; C57-C70 VanDerWaalsContact SG-SG 3.67Å; C57-Q72 HydrophobicContact CB-CB 3.86Å; C57-A73 VanDerWaalsContact SG-CA 3.52Å; C57-A73 PolarHBondContact SG-N 3.27Å; C57-W76 PolarHBondContact O-NE1 3.41Å; C57-W83 HydrophobicContact CB-CZ2 4.2Å
58V98.1Very high97.3Very high0 Ų056.6 Ų56.60%031%0.307CS..EExtended strand (participates in β ladder)trans-87.6122.9165.2176.60000108.3E31 T32 A35 Y47 V51 F60 G81 R82 P84E31-V58 HydrophobicContact CB-CG1 4.01Å; T32-V58 HydrophobicContact CG2-CG2 3.99Å; A35-V58 HydrophobicContact CB-CG1 4.42Å; Y47-V58 HydrophobicContact CE1-CG2 4.49Å; Y47-V58 VanDerWaalsContact OH-CA 3.31Å; Y47-V58 WeakPolarHBondContact OH-CA 3.44Å; V51-V58 HydrophobicContact CG1-CG2 3.81Å; V51-V58 HydrophobicContact CG2-CG2 3.86Å; V58-F60 HydrophobicContact CB-CE2 4.21Å; V58-F60 HydrophobicContact CG1-CD2 4.33Å; V58-F60 HydrophobicContact CG1-CE2 4.06Å; V58-F60 WeakPolarHBondContact O-CD2 3.37Å; V58-F60 PolarHBondContact O-N 3.03Å; V58-G81 CarbonylContact O-C 3.53Å; V58-G81 WeakPolarHBondContact O-CA 3.45Å; V58-R82 WeakPolarHBondContact CB-O 3.24Å; V58-R82 PolarHBondContact N-O 2.77Å; V58-R82 PolarHBondContact O-N 3.4Å; V58-P84 HydrophobicContact CB-CG 4.13Å; V58-P84 HydrophobicContact CG1-CG 4.48Å; V58-P84 HydrophobicContact CG2-CG 3.83Å
59P98Very high97.2Very high6 Ų666.8 Ų66.84%0.03935%0.345CS..EExtended strand (participates in β ladder)trans-69.1127.4174.228.9-34.3000110A35 W76 T78A35-P59 HydrophobicContact CB-CG 4.33Å; P59-W76 HydrophobicContact CB-CB 3.75Å; P59-W76 HydrophobicContact CB-CD2 4.46Å; P59-W76 HydrophobicContact CB-CG 3.93Å; P59-W76 HydrophobicContact CG-CB 4Å; P59-W76 HydrophobicContact CG-CD2 3.76Å; P59-W76 HydrophobicContact CG-CE3 4.02Å; P59-W76 HydrophobicContact CG-CG 3.74Å; P59-T78 HydrophobicContact CB-CG2 3.56Å
60F98Very high97.1Very high3 Ų363 Ų631%0.01333%0.331CS..  trans-98.4110.5174-83.9-119.6000108.1N28 E31 V58 N64 V67 Q80 R82 P84N28-F60 HydrophobicContact CB-CZ 4.46Å; E31-F60 HydrophobicContact CB-CD1 4.49Å; E31-F60 HydrophobicContact CB-CD2 4.33Å; E31-F60 HydrophobicContact CB-CE2 4.34Å; E31-F60 HydrophobicContact CB-CG 4.39Å; E31-F60 HydrophobicContact CB-CZ 4.44Å; E31-F60 HydrophobicContact CG-CB 4.48Å; E31-F60 HydrophobicContact CG-CD1 3.85Å; E31-F60 HydrophobicContact CG-CD2 4.46Å; E31-F60 HydrophobicContact CG-CE1 4.13Å; E31-F60 HydrophobicContact CG-CG 4.03Å; V58-F60 HydrophobicContact CB-CE2 4.21Å; V58-F60 HydrophobicContact CG1-CD2 4.33Å; V58-F60 HydrophobicContact CG1-CE2 4.06Å; V58-F60 WeakPolarHBondContact O-CD2 3.37Å; V58-F60 PolarHBondContact O-N 3.03Å; F60-N64 HydrophobicContact CB-CB 4.47Å; F60-V67 HydrophobicContact CB-CG1 4.1Å; F60-V67 HydrophobicContact CB-CG2 4.32Å; F60-V67 HydrophobicContact CD1-CG2 3.93Å; F60-V67 HydrophobicContact CG-CG1 4.27Å; F60-V67 HydrophobicContact CG-CG2 4.32Å; F60-Q80 PolarHBondContact N-O 3.4Å; F60-R82 HydrophobicContact CD2-CB 4.13Å; F60-R82 HydrophobicContact CD2-CG 4.49Å; F60-R82 HydrophobicContact CE2-CB 3.63Å; F60-R82 HydrophobicContact CE2-CG 4.32Å; F60-R82 HydrophobicContact CZ-CB 4.08Å; F60-P84 HydrophobicContact CE2-CG 4.44Å
61R95.9Very high97Very high154 Ų15466 Ų6658%0.58136%0.356SS*.SBendtrans-109.7-46.8-174.4-65.3-176173.5-149.2-1.2113.2E31 W76E31-R61 PolarHBondContact OE2-N 2.81Å; R61-W76 PolarHBondContact NH2-O 3.22Å
62R96.8Very high97Very high164 Ų16468.9 Ų68.962%0.61937%0.37SS*.SBendtrans-89.1-42.8-177.5178.6-179.5-70.9173.7-6.3111.4H30 E31H30-R62 PolarHBondContact CE1-NH1 3.25Å; H30-R62 PolarHBondContact NE2-NH1 3.17Å; E31-R62 WeakPolarHBondContact OE1-CA 3.37Å; E31-R62 WeakPolarHBondContact OE1-CB 3.11Å; E31-R62 PolarHBondContact OE1-N 2.94Å
63F97Very high96.9Very high44 Ų4467.1 Ų67.119%0.19336%0.361CS..SBendtrans-105.556.5-176.1-58.8-61.9000112F26 K27 H30 E31F26-F63 HydrophobicContact CE1-CE2 4.11Å; F26-F63 AromaticContact CE1-CZ 3.9Å; F26-F63 HydrophobicContact CE1-CZ 3.9Å; K27-F63 HydrophobicContact CB-CB 3.97Å; K27-F63 HydrophobicContact CB-CD1 4.38Å; K27-F63 HydrophobicContact CB-CD2 3.61Å; K27-F63 HydrophobicContact CB-CE2 4.18Å; K27-F63 HydrophobicContact CB-CG 3.73Å; K27-F63 HydrophobicContact CD-CB 4.01Å; K27-F63 HydrophobicContact CD-CD1 3.66Å; K27-F63 HydrophobicContact CD-CD2 4.42Å; K27-F63 HydrophobicContact CD-CE1 4.24Å; K27-F63 HydrophobicContact CD-CG 3.77Å; K27-F63 HydrophobicContact CG-CB 4.28Å; K27-F63 HydrophobicContact CG-CD1 3.86Å; K27-F63 HydrophobicContact CG-CD2 3.86Å; K27-F63 HydrophobicContact CG-CE1 4.12Å; K27-F63 HydrophobicContact CG-CE2 4.11Å; K27-F63 HydrophobicContact CG-CG 3.72Å; K27-F63 HydrophobicContact CG-CZ 4.24Å; H30-F63 HydrophobicContact CB-CE2 4.12Å; H30-F63 AromaticContact CG-CE2 3.92Å; H30-F63 AromaticContact ND1-CE2 3.82Å; E31-F63 HydrophobicContact CG-CD2 4.39Å; E31-F63 WeakPolarHBondContact OE1-CD2 3.26Å; E31-F63 PolarHBondContact OE1-N 2.85Å
64N95.9Very high96.8Very high63 Ų6370.4 Ų70.434%0.33737%0.371SS..  trans-100.44.2-170.669.1-26.7000115.5F60 G66 V67 Q80F60-N64 HydrophobicContact CB-CB 4.47Å; N64-G66 PolarHBondContact O-N 2.92Å; N64-V67 WeakPolarHBondContact O-CB 3.28Å; N64-V67 PolarHBondContact O-N 2.91Å; N64-Q80 PolarHBondContact ND2-OE1 2.85Å; N64-Q80 PolarHBondContact O-NE2 3.01Å
65G96.4Very high96.7Very high74 Ų7470.4 Ų70.476%0.76337%0.37SS*.THydrogen-bonded Turntrans-58.6117.4176.600000112.1V67G65-V67 PolarHBondContact O-N 2.91Å
66G95.8Very high96.6Very high74 Ų7465.7 Ų65.776%0.76335%0.349SS*.THydrogen-bonded Turntrans69.414.4-177.200000115N64 R82N64-G66 PolarHBondContact O-N 2.92Å; G66-R82 PolarHBondContact O-NH2 2.96Å
67V97.2Very high96.5Very high8 Ų873.6 Ų73.65%0.04838%0.383CS..PPolyproline II helixtrans-80127.4175178.80000109.8F60 N64 G65 Q80 R82F60-V67 HydrophobicContact CB-CG1 4.1Å; F60-V67 HydrophobicContact CB-CG2 4.32Å; F60-V67 HydrophobicContact CD1-CG2 3.93Å; F60-V67 HydrophobicContact CG-CG1 4.27Å; F60-V67 HydrophobicContact CG-CG2 4.32Å; N64-V67 WeakPolarHBondContact O-CB 3.28Å; N64-V67 PolarHBondContact O-N 2.91Å; G65-V67 PolarHBondContact O-N 2.91Å; V67-Q80 HydrophobicContact CB-CB 4.47Å; V67-Q80 HydrophobicContact CG1-CB 4.1Å; V67-Q80 PolarHBondContact O-NE2 3.37Å; V67-R82 HydrophobicContact CG1-CG 3.81Å
68G96.3Very high96.4Very high42 Ų4275 Ų7543%0.43339%0.391SS..PPolyproline II helixtrans-64.7157.5177.300000112.9
69R97.2Very high96.3Very high214 Ų21479.1 Ų79.181%0.80842%0.416SS*.BIsolated β-bridgetrans-83146.9173.9-59.3178.2-171.6172.51.9109.9T79 Q80R69-T79 WeakPolarHBondContact CA-O 3.37Å; R69-T79 WeakPolarHBondContact CB-O 3.38Å; R69-Q80 HydrophobicContact CG-CG 4.39Å
70C95.8Very high96.2Very high24 Ų2480.6 Ų80.616%0.16242%0.423CS..  trans-141.2149173.870.50000111.3C57 Q72 A73 T79 W83C57-C70 VanDerWaalsContact SG-SG 3.67Å; C70-Q72 VanDerWaalsContact C-N 3.29Å; C70-Q72 PolarHBondContact O-N 2.93Å; C70-A73 WeakPolarHBondContact O-CB 3.16Å; C70-A73 PolarHBondContact O-N 2.97Å; C70-T79 PolarHBondContact N-O 3.31Å; C70-W83 HydrophobicContact CB-CH2 4.03Å; C70-W83 HydrophobicContact CB-CZ2 4.47Å
71A97Very high96.2Very high77 Ų7780.6 Ų80.664%0.63642%0.423SS*.G310 helixtrans-64.4-34.4-178.600000112.6A73 K74A71-A73 PolarHBondContact O-N 2.75Å; A71-K74 WeakPolarHBondContact O-CB 3.2Å; A71-K74 VanDerWaalsContact O-CG 3.29Å; A71-K74 WeakPolarHBondContact O-CG 3.38Å; A71-K74 PolarHBondContact O-N 2.96Å
72Q96.8Very high96.3Very high62 Ų6278.6 Ų78.629%0.2942%0.416SS..G310 helixtrans-63.7-23.5179-63.6176.42.300113Q54 K55 E56 C57 C70 K74 Q75 W83Q54-Q72 PolarHBondContact O-NE2 2.98Å; K55-Q72 PolarHBondContact O-NE2 3.45Å; E56-Q72 VanDerWaalsContact C-OE1 3.29Å; C57-Q72 HydrophobicContact CB-CB 3.86Å; C70-Q72 VanDerWaalsContact C-N 3.29Å; C70-Q72 PolarHBondContact O-N 2.93Å; Q72-K74 PolarHBondContact O-N 3.11Å; Q72-Q75 PolarHBondContact O-N 2.83Å; Q72-W83 VanDerWaalsContact OE1-CE2 3.28Å; Q72-W83 VanDerWaalsContact OE1-CZ2 3.23Å
73A96.2Very high96.4Very high0 Ų074.9 Ų74.90%040%0.402CS..G310 helixtrans-65.9-20.3178.600000112.8C57 C70 A71 Q75 W76 K77 T78C57-A73 VanDerWaalsContact SG-CA 3.52Å; C57-A73 PolarHBondContact SG-N 3.27Å; C70-A73 WeakPolarHBondContact O-CB 3.16Å; C70-A73 PolarHBondContact O-N 2.97Å; A71-A73 PolarHBondContact O-N 2.75Å; A73-Q75 PolarHBondContact O-N 2.87Å; A73-W76 WeakPolarHBondContact O-CA 3.46Å; A73-W76 WeakPolarHBondContact O-CB 3.43Å; A73-W76 PolarHBondContact O-N 3.39Å; A73-K77 PolarHBondContact O-N 3.25Å; A73-T78 CarbonylContact C-O 3.56Å; A73-T78 HydrophobicContact CB-CG2 4.13Å; A73-T78 VanDerWaalsContact CB-O 3.27Å; A73-T78 WeakPolarHBondContact CB-O 3.44Å; A73-T78 PolarHBondContact O-N 2.94Å
74K96Very high96.4Very high166 Ų16673.4 Ų73.472%0.72240%0.397SS*.G310 helixtrans-55.2-38.3177.6-70.2-179.6178.6-1770112.4A71 Q72 W76 K77A71-K74 WeakPolarHBondContact O-CB 3.2Å; A71-K74 VanDerWaalsContact O-CG 3.29Å; A71-K74 WeakPolarHBondContact O-CG 3.38Å; A71-K74 PolarHBondContact O-N 2.96Å; Q72-K74 PolarHBondContact O-N 3.11Å; K74-W76 PolarHBondContact O-N 3.45Å; K74-W76 VanDerWaalsContact O-N 3.15Å; K74-K77 PolarHBondContact O-N 2.96Å
75Q94.9Very high96.5Very high122 Ų12276.1 Ų76.157%0.5741%0.406SS*.G310 helixtrans-57-30.6176-178-177.4-7.200112.4Q72 A73Q72-Q75 PolarHBondContact O-N 2.83Å; A73-Q75 PolarHBondContact O-N 2.87Å
76W95.1Very high96.6Very high47 Ų4777.5 Ų77.518%0.17839%0.391CS..G310 helixtrans-95.59.4-177.1-63.7101.4000113.6A35 M39 Y47 C57 P59 R61 A73 K74 T78A35-W76 HydrophobicContact CB-CH2 4.49Å; M39-W76 HydrophobicContact CE-CH2 3.48Å; M39-W76 VanDerWaalsContact CE-CH2 3.48Å; M39-W76 HydrophobicContact CE-CZ2 4.21Å; M39-W76 HydrophobicContact CE-CZ3 4.45Å; Y47-W76 HydrophobicContact CD2-CZ2 4.3Å; Y47-W76 HydrophobicContact CE2-CH2 4.49Å; Y47-W76 AromaticContact CE2-CZ2 3.55Å; Y47-W76 HydrophobicContact CE2-CZ2 3.55Å; Y47-W76 AromaticContact CZ-CZ2 3.73Å; C57-W76 PolarHBondContact O-NE1 3.41Å; P59-W76 HydrophobicContact CB-CB 3.75Å; P59-W76 HydrophobicContact CB-CD2 4.46Å; P59-W76 HydrophobicContact CB-CG 3.93Å; P59-W76 HydrophobicContact CG-CB 4Å; P59-W76 HydrophobicContact CG-CD2 3.76Å; P59-W76 HydrophobicContact CG-CE3 4.02Å; P59-W76 HydrophobicContact CG-CG 3.74Å; R61-W76 PolarHBondContact NH2-O 3.22Å; A73-W76 WeakPolarHBondContact O-CA 3.46Å; A73-W76 WeakPolarHBondContact O-CB 3.43Å; A73-W76 PolarHBondContact O-N 3.39Å; K74-W76 PolarHBondContact O-N 3.45Å; K74-W76 VanDerWaalsContact O-N 3.15Å; W76-T78 HydrophobicContact CB-CG2 3.94Å; W76-T78 PolarHBondContact O-N 3.24Å
77K95.3Very high96.7Very high201 Ų20174.1 Ų74.187%0.87436%0.355SS*.THydrogen-bonded Turntrans52.839.2-175.1-54-178-178.9-176.10112.1A73 K74A73-K77 PolarHBondContact O-N 3.25Å; K74-K77 PolarHBondContact O-N 2.96Å
78T95Very high96.8Very high31 Ų3173.8 Ų73.819%0.1935%0.353CS..  trans-137.8162.8172.7-1800000109.8P59 A73 W76 Q80P59-T78 HydrophobicContact CB-CG2 3.56Å; A73-T78 CarbonylContact C-O 3.56Å; A73-T78 HydrophobicContact CB-CG2 4.13Å; A73-T78 VanDerWaalsContact CB-O 3.27Å; A73-T78 WeakPolarHBondContact CB-O 3.44Å; A73-T78 PolarHBondContact O-N 2.94Å; W76-T78 HydrophobicContact CB-CG2 3.94Å; W76-T78 PolarHBondContact O-N 3.24Å; T78-Q80 PolarHBondContact OG1-N 3.02Å
79T96Very high96.9Very high85 Ų8575.1 Ų75.152%0.52135%0.348SS..SBendtrans-94-21.7177.556.60000112.6R69 C70R69-T79 WeakPolarHBondContact CA-O 3.37Å; R69-T79 WeakPolarHBondContact CB-O 3.38Å; C70-T79 PolarHBondContact N-O 3.31Å
80Q96.8Very high96.9Very high37 Ų3767.5 Ų67.517%0.17332%0.321CS..BIsolated β-bridgetrans-112.6132.1-169.3-69.9174.2-51.800111.9F60 N64 V67 R69 T78F60-Q80 PolarHBondContact N-O 3.4Å; N64-Q80 PolarHBondContact ND2-OE1 2.85Å; N64-Q80 PolarHBondContact O-NE2 3.01Å; V67-Q80 HydrophobicContact CB-CB 4.47Å; V67-Q80 HydrophobicContact CG1-CB 4.1Å; V67-Q80 PolarHBondContact O-NE2 3.37Å; R69-Q80 HydrophobicContact CG-CG 4.39Å; T78-Q80 PolarHBondContact OG1-N 3.02Å
81G97.4Very high97Very high3 Ų366.5 Ų66.53%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-162.2160.3179.200000112.6V58V58-G81 CarbonylContact O-C 3.53Å; V58-G81 WeakPolarHBondContact O-CA 3.45Å
82R97.9Very high97Very high113 Ų11363.5 Ų63.543%0.42629%0.287SS..EExtended strand (participates in β ladder)trans-144176.1176.5-67.7-176.7170.2178.80.5110.8V58 F60 G66 V67 P84V58-R82 WeakPolarHBondContact CB-O 3.24Å; V58-R82 PolarHBondContact N-O 2.77Å; V58-R82 PolarHBondContact O-N 3.4Å; F60-R82 HydrophobicContact CD2-CB 4.13Å; F60-R82 HydrophobicContact CD2-CG 4.49Å; F60-R82 HydrophobicContact CE2-CB 3.63Å; F60-R82 HydrophobicContact CE2-CG 4.32Å; F60-R82 HydrophobicContact CZ-CB 4.08Å; G66-R82 PolarHBondContact O-NH2 2.96Å; V67-R82 HydrophobicContact CG1-CG 3.81Å; R82-P84 VanDerWaalsContact C-CD 3.5Å; R82-P84 VanDerWaalsContact O-CD 3.27Å; R82-P84 WeakPolarHBondContact O-CD 3.42Å
83W98.3Very high97Very high86 Ų8666.1 Ų66.133%0.32630%0.3SS..  trans-11778.3177-55.5-87000111.1V51 Q54 E56 C57 C70 Q72 K85V51-W83 HydrophobicContact CG1-CB 4.49Å; Q54-W83 VanDerWaalsContact CA-CD1 3.44Å; Q54-W83 HydrophobicContact CB-CD2 4.33Å; Q54-W83 HydrophobicContact CB-CG 4.05Å; Q54-W83 HydrophobicContact CG-CB 4.06Å; Q54-W83 HydrophobicContact CG-CD2 4.45Å; Q54-W83 HydrophobicContact CG-CG 3.97Å; Q54-W83 PolarHBondContact O-NE1 3.37Å; E56-W83 PolarHBondContact O-NE1 3.15Å; C57-W83 HydrophobicContact CB-CZ2 4.2Å; C70-W83 HydrophobicContact CB-CH2 4.03Å; C70-W83 HydrophobicContact CB-CZ2 4.47Å; Q72-W83 VanDerWaalsContact OE1-CE2 3.28Å; Q72-W83 VanDerWaalsContact OE1-CZ2 3.23Å; W83-K85 VanDerWaalsContact C-N 3.25Å; W83-K85 PolarHBondContact O-N 2.89Å
84P97.9Very high97.1Very high13 Ų1366.7 Ų66.78%0.08430%0.303CS..  trans-74.574.5-177.432.5-37.1000111.9N28 T32 V58 F60 R82 K86 S87 A88N28-P84 HydrophobicContact CB-CB 3.88Å; T32-P84 WeakPolarHBondContact OG1-CG 3.44Å; V58-P84 HydrophobicContact CB-CG 4.13Å; V58-P84 HydrophobicContact CG1-CG 4.48Å; V58-P84 HydrophobicContact CG2-CG 3.83Å; F60-P84 HydrophobicContact CE2-CG 4.44Å; R82-P84 VanDerWaalsContact C-CD 3.5Å; R82-P84 VanDerWaalsContact O-CD 3.27Å; R82-P84 WeakPolarHBondContact O-CD 3.42Å; P84-K86 PolarHBondContact O-N 3.32Å; P84-S87 WeakPolarHBondContact O-CB 3.46Å; P84-S87 PolarHBondContact O-N 3.08Å; P84-A88 PolarHBondContact O-N 3.13Å
85K98.3Very high97.1Very high119 Ų11958.9 Ų58.952%0.51727%0.268SS..Hα-helixtrans-43.9-53.9-176.4-178.6174.3177.8175.60113.5I52 W83 S87 A88 E89I52-K85 HydrophobicContact CG1-CG 4.48Å; I52-K85 HydrophobicContact CG2-CG 4.31Å; W83-K85 VanDerWaalsContact C-N 3.25Å; W83-K85 PolarHBondContact O-N 2.89Å; K85-S87 VanDerWaalsContact C-N 3.3Å; K85-S87 PolarHBondContact O-N 3.28Å; K85-A88 WeakPolarHBondContact O-CB 3.31Å; K85-A88 PolarHBondContact O-N 2.99Å; K85-A88 VanDerWaalsContact O-N 3.1Å; K85-E89 WeakPolarHBondContact CE-OE1 3.2Å; K85-E89 WeakPolarHBondContact CG-OE1 3.33Å; K85-E89 WeakPolarHBondContact O-CG 3.25Å; K85-E89 PolarHBondContact O-N 3.49Å
86K98.3Very high97.2Very high104 Ų10459.6 Ų59.645%0.45227%0.266SS..Hα-helixtrans-59.9-37.3-180-162.2-175.6-170.7-178.80113.3R23 V24 P84 F90R23-K86 WeakPolarHBondContact O-CE 3.35Å; R23-K86 PolarHBondContact O-NZ 3.41Å; V24-K86 HydrophobicContact CG1-CD 4.08Å; V24-K86 HydrophobicContact CG1-CG 3.94Å; P84-K86 PolarHBondContact O-N 3.32Å; K86-F90 HydrophobicContact CG-CD2 4.22Å; K86-F90 HydrophobicContact CG-CE2 4.14Å; K86-F90 VanDerWaalsContact O-CD2 3.22Å; K86-F90 WeakPolarHBondContact O-CD2 3.33Å; K86-F90 PolarHBondContact O-N 2.88Å
87S97.9Very high97.3Very high3 Ų361 Ų612%0.02128%0.277CS..Hα-helixtrans-71.8-38.3177.3-62.20000111.4T29 P84 K85 L91T29-S87 PolarHBondContact N-OG 3.37Å; T29-S87 PolarHBondContact OG1-OG 3.1Å; P84-S87 WeakPolarHBondContact O-CB 3.46Å; P84-S87 PolarHBondContact O-N 3.08Å; K85-S87 VanDerWaalsContact C-N 3.3Å; K85-S87 PolarHBondContact O-N 3.28Å; S87-L91 WeakPolarHBondContact O-CB 3.44Å; S87-L91 WeakPolarHBondContact O-CG 3.33Å; S87-L91 PolarHBondContact O-N 3.31Å
88A98.1Very high97.3Very high0 Ų051.4 Ų51.40%024%0.235CC..Hα-helixtrans-64.4-42.5176.800000112.2L48 V51 I52 P84 K85 L91 L92L48-A88 HydrophobicContact CB-CB 4.45Å; L48-A88 HydrophobicContact CD2-CB 4.08Å; V51-A88 HydrophobicContact CB-CB 4.4Å; V51-A88 HydrophobicContact CG1-CB 4.08Å; I52-A88 HydrophobicContact CD1-CB 4.33Å; I52-A88 HydrophobicContact CG1-CB 3.87Å; P84-A88 PolarHBondContact O-N 3.13Å; K85-A88 WeakPolarHBondContact O-CB 3.31Å; K85-A88 PolarHBondContact O-N 2.99Å; K85-A88 VanDerWaalsContact O-N 3.1Å; A88-L91 PolarHBondContact O-N 2.82Å; A88-L92 WeakPolarHBondContact O-CB 3.32Å; A88-L92 PolarHBondContact O-N 3.41Å
89E98.1Very high97.4Very high70 Ų7051.3 Ų51.333%0.32723%0.233SC..Hα-helixtrans-60.5-48.1176.4-71.8167173.400112.3I52 K85 L91 L92 Q93I52-E89 HydrophobicContact CD1-CG 3.78Å; I52-E89 HydrophobicContact CG1-CG 4.25Å; K85-E89 WeakPolarHBondContact CE-OE1 3.2Å; K85-E89 WeakPolarHBondContact CG-OE1 3.33Å; K85-E89 WeakPolarHBondContact O-CG 3.25Å; K85-E89 PolarHBondContact O-N 3.49Å; E89-L91 PolarHBondContact O-N 2.87Å; E89-L92 PolarHBondContact O-N 2.92Å; E89-Q93 WeakPolarHBondContact O-CG 3.46Å; E89-Q93 PolarHBondContact O-N 2.82Å
90F97.7Very high97.5Very high54 Ų5449.5 Ų49.524%0.23723%0.226CC..Hα-helixtrans-64.7-40178.5-88.7-104.6000112.3L22 V24 K86 Q93 L94L22-F90 HydrophobicContact CB-CD1 4.1Å; L22-F90 HydrophobicContact CB-CE1 4.23Å; L22-F90 HydrophobicContact CD1-CD1 4.12Å; L22-F90 HydrophobicContact CD2-CD1 3.97Å; L22-F90 HydrophobicContact CD2-CE1 4.07Å; L22-F90 HydrophobicContact CG-CD1 4.28Å; V24-F90 HydrophobicContact CG1-CB 4.09Å; V24-F90 HydrophobicContact CG1-CD1 3.9Å; V24-F90 HydrophobicContact CG1-CD2 3.34Å; V24-F90 HydrophobicContact CG1-CE1 4.12Å; V24-F90 HydrophobicContact CG1-CE2 3.59Å; V24-F90 HydrophobicContact CG1-CG 3.48Å; V24-F90 VanDerWaalsContact CG1-CG 3.48Å; V24-F90 HydrophobicContact CG1-CZ 3.97Å; K86-F90 HydrophobicContact CG-CD2 4.22Å; K86-F90 HydrophobicContact CG-CE2 4.14Å; K86-F90 VanDerWaalsContact O-CD2 3.22Å; K86-F90 WeakPolarHBondContact O-CD2 3.33Å; K86-F90 PolarHBondContact O-N 2.88Å; F90-Q93 PolarHBondContact O-N 3.1Å; F90-L94 PolarHBondContact O-N 3.35Å
91L97.8Very high97.4Very high3 Ų350.4 Ų50.42%0.01623%0.233CC..Hα-helixtrans-67.7-36.3175.3-72.7176000111.9T29 T32 A33 I36 L48 S87 A88 E89 L94 L95 I117 V146T29-L91 HydrophobicContact CG2-CD1 4.44Å; T29-L91 HydrophobicContact CG2-CD2 4.37Å; T29-L91 HydrophobicContact CG2-CG 4.36Å; T32-L91 HydrophobicContact CG2-CD1 3.56Å; A33-L91 HydrophobicContact CB-CD1 4.42Å; I36-L91 HydrophobicContact CD1-CD1 4.17Å; L48-L91 HydrophobicContact CD1-CB 3.8Å; S87-L91 WeakPolarHBondContact O-CB 3.44Å; S87-L91 WeakPolarHBondContact O-CG 3.33Å; S87-L91 PolarHBondContact O-N 3.31Å; A88-L91 PolarHBondContact O-N 2.82Å; E89-L91 PolarHBondContact O-N 2.87Å; L91-L94 PolarHBondContact O-N 3.38Å; L91-L95 WeakPolarHBondContact O-CG 3.42Å; L91-L95 PolarHBondContact O-N 3.49Å; L91-I117 HydrophobicContact CD2-CD1 3.99Å; L91-V146 HydrophobicContact CD2-CG1 3.85Å
92L97.6Very high97.3Very high15 Ų1550.3 Ų50.38%0.07923%0.231CC..Hα-helixtrans-64.3-42.8175.7-174.168.5000111.3Q45 L48 K49 A88 E89 L94 L95 R96Q45-L92 HydrophobicContact CB-CD1 4.04Å; Q45-L92 HydrophobicContact CG-CD1 4.09Å; L48-L92 HydrophobicContact CB-CD1 4.5Å; L48-L92 HydrophobicContact CD1-CB 4.3Å; K49-L92 HydrophobicContact CG-CD2 4.18Å; A88-L92 WeakPolarHBondContact O-CB 3.32Å; A88-L92 PolarHBondContact O-N 3.41Å; E89-L92 PolarHBondContact O-N 2.92Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L92-L94 PolarHBondContact O-N 3.26Å; L92-L95 PolarHBondContact O-N 2.99Å; L92-R96 WeakPolarHBondContact O-CG 3.42Å; L92-R96 PolarHBondContact O-N 3.35Å
93Q97.2Very high97.2Very high117 Ų11749.6 Ų49.655%0.54724%0.236SC..Hα-helixtrans-60.6-42.4173.1-71.7175.5-5.800111.7E89 F90 R96 N97E89-Q93 WeakPolarHBondContact O-CG 3.46Å; E89-Q93 PolarHBondContact O-N 2.82Å; F90-Q93 PolarHBondContact O-N 3.1Å; Q93-R96 PolarHBondContact O-N 2.76Å; Q93-N97 PolarHBondContact O-N 2.9Å; Q93-N97 VanDerWaalsContact O-N 3.07Å
94L97Very high97Very high12 Ų1251 Ų516%0.06326%0.258CS..Hα-helixtrans-64.8-39.7177.7-172.664.8000112.4A17 F90 L91 L92 N97 A98 V146 V148A17-L94 HydrophobicContact CB-CD1 3.76Å; A17-L94 HydrophobicContact CB-CG 4.26Å; F90-L94 PolarHBondContact O-N 3.35Å; L91-L94 PolarHBondContact O-N 3.38Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L92-L94 PolarHBondContact O-N 3.26Å; L94-N97 PolarHBondContact O-N 3.03Å; L94-A98 PolarHBondContact O-N 2.65Å; L94-V146 HydrophobicContact CD2-CB 3.92Å; L94-V146 HydrophobicContact CD2-CG1 3.4Å; L94-V146 VanDerWaalsContact CD2-CG1 3.4Å; L94-V148 HydrophobicContact CD2-CB 4.41Å; L94-V148 HydrophobicContact CD2-CG2 3.58Å; L94-V148 HydrophobicContact CG-CG2 4.23Å
95L97.3Very high96.8Very high1 Ų155.7 Ų55.71%0.00528%0.277CS..Hα-helixtrans-67.6-37.2175.7-71.7179.4000112.5I36 L41 A44 Q45 L48 L91 L92 N97 A98 E99 V114 V148 L150I36-L95 HydrophobicContact CD1-CD1 4.34Å; L41-L95 HydrophobicContact CD1-CB 4.09Å; L41-L95 HydrophobicContact CD1-CD1 4.43Å; L41-L95 HydrophobicContact CD1-CD2 3.98Å; L41-L95 HydrophobicContact CD1-CG 4.4Å; A44-L95 HydrophobicContact CB-CD1 3.96Å; Q45-L95 HydrophobicContact CG-CB 4.47Å; Q45-L95 HydrophobicContact CG-CD1 4.33Å; L48-L95 HydrophobicContact CD1-CD1 3.83Å; L91-L95 WeakPolarHBondContact O-CG 3.42Å; L91-L95 PolarHBondContact O-N 3.49Å; L92-L95 PolarHBondContact O-N 2.99Å; L95-N97 VanDerWaalsContact C-N 3.33Å; L95-A98 PolarHBondContact O-N 3.07Å; L95-E99 WeakPolarHBondContact O-CB 3.26Å; L95-E99 PolarHBondContact O-N 3.26Å; L95-V114 HydrophobicContact CD2-CG2 4.19Å; L95-V148 HydrophobicContact CD2-CG1 4.28Å; L95-L150 HydrophobicContact CD2-CD2 4.29Å
96R96.7Very high96.6Very high137 Ų13753.4 Ų53.452%0.51729%0.286SS..Hα-helixtrans-62.9-39.1173.2-74.2174.5177.7177.1-2.3112.2L92 Q93 E99 A100L92-R96 WeakPolarHBondContact O-CG 3.42Å; L92-R96 PolarHBondContact O-N 3.35Å; Q93-R96 PolarHBondContact O-N 2.76Å; R96-E99 PolarHBondContact O-N 3.39Å; R96-A100 PolarHBondContact O-N 3.39Å
97N96.8Very high96.4Very high76 Ų7649.2 Ų49.241%0.40627%0.269SS..Hα-helixtrans-64.7-44.4172.9-178.6-11000111Q93 L94 L95 E99 A100 N101Q93-N97 PolarHBondContact O-N 2.9Å; Q93-N97 VanDerWaalsContact O-N 3.07Å; L94-N97 PolarHBondContact O-N 3.03Å; L95-N97 VanDerWaalsContact C-N 3.33Å; N97-E99 VanDerWaalsContact C-N 3.3Å; N97-E99 PolarHBondContact O-N 3.06Å; N97-A100 PolarHBondContact O-N 2.85Å; N97-N101 VanDerWaalsContact O-CG 3.23Å; N97-N101 PolarHBondContact O-N 3.35Å; N97-N101 PolarHBondContact O-ND2 2.82Å; N97-N101 PolarHBondContact OD1-ND2 3.49Å
98A96.2Very high96.1Very high0 Ų052.1 Ų52.10%029%0.285CS..Hα-helixtrans-61.3-38.3176.200000112.9C15 A17 L94 L95 N101 A102 L150C15-A98 PolarHBondContact SG-O 3.46Å; A17-A98 HydrophobicContact CB-CB 3.71Å; L94-A98 PolarHBondContact O-N 2.65Å; L95-A98 PolarHBondContact O-N 3.07Å; A98-N101 PolarHBondContact O-N 2.78Å; A98-A102 PolarHBondContact O-N 2.96Å; A98-L150 HydrophobicContact CB-CD1 3.58Å; A98-L150 HydrophobicContact CB-CG 4.08Å
99E96.4Very high95.8Very high30 Ų3052.6 Ų52.614%0.1429%0.288CS..Hα-helixtrans-61.7-51.4173.7-173.9170.6-149.500111.1L41 R42 Q45 L95 R96 N97 N101 A102 D103 A109L41-E99 HydrophobicContact CD2-CB 4.07Å; L41-E99 HydrophobicContact CD2-CG 4.09Å; R42-E99 IonicContact CZ-OE1 3.8Å; R42-E99 IonicContact NH1-OE1 3.62Å; R42-E99 PolarHBondContact NH1-OE1 3.07Å; R42-E99 IonicContact NH2-OE1 2.65Å; Q45-E99 PolarHBondContact NE2-OE2 3.4Å; L95-E99 WeakPolarHBondContact O-CB 3.26Å; L95-E99 PolarHBondContact O-N 3.26Å; R96-E99 PolarHBondContact O-N 3.39Å; N97-E99 VanDerWaalsContact C-N 3.3Å; N97-E99 PolarHBondContact O-N 3.06Å; E99-N101 VanDerWaalsContact C-N 3.26Å; E99-N101 PolarHBondContact O-N 3.42Å; E99-A102 WeakPolarHBondContact O-CA 3.13Å; E99-A102 VanDerWaalsContact O-CB 3.27Å; E99-A102 WeakPolarHBondContact O-CB 3.08Å; E99-A102 PolarHBondContact O-N 3.27Å; E99-D103 PolarHBondContact O-N 3.48Å; E99-A109 HydrophobicContact CG-CB 4.43Å
100A96.8Very high95.6Very high47 Ų4754.1 Ų54.139%0.38830%0.299SS..Hα-helixtrans-57.9-38.1175.800000112.7R96 N97 A102 D103 C104R96-A100 PolarHBondContact O-N 3.39Å; N97-A100 PolarHBondContact O-N 2.85Å; A100-A102 VanDerWaalsContact C-N 3.28Å; A100-A102 PolarHBondContact O-N 3.14Å; A100-D103 PolarHBondContact O-N 3.36Å; A100-C104 PolarHBondContact O-N 2.97Å; A100-C104 PolarHBondContact O-SG 3.47Å
101N95.6Very high95.3Very high56 Ų5656 Ų5630%0.29930%0.304SS..Hα-helixtrans-68.1-28.2174.8-65-26.8000112.9C15 K16 N97 A98 E99 K105C15-N101 HydrophobicContact CB-CB 4.33Å; K16-N101 PolarHBondContact O-ND2 3.17Å; K16-N101 VanDerWaalsContact O-ND2 3.09Å; N97-N101 VanDerWaalsContact O-CG 3.23Å; N97-N101 PolarHBondContact O-N 3.35Å; N97-N101 PolarHBondContact O-ND2 2.82Å; N97-N101 PolarHBondContact OD1-ND2 3.49Å; A98-N101 PolarHBondContact O-N 2.78Å; E99-N101 VanDerWaalsContact C-N 3.26Å; E99-N101 PolarHBondContact O-N 3.42Å; N101-K105 WeakPolarHBondContact O-CG 3.33Å; N101-K105 PolarHBondContact O-N 3.17Å
102A95.6Very high95.2Very high0 Ų055.9 Ų55.90%030%0.304CS..Hα-helixtrans-74.1-42.4175.300000110.9C15 A98 E99 A100 C104 K105 G106 L107 L112C15-A102 HydrophobicContact CB-CB 4.11Å; A98-A102 PolarHBondContact O-N 2.96Å; E99-A102 WeakPolarHBondContact O-CA 3.13Å; E99-A102 VanDerWaalsContact O-CB 3.27Å; E99-A102 WeakPolarHBondContact O-CB 3.08Å; E99-A102 PolarHBondContact O-N 3.27Å; A100-A102 VanDerWaalsContact C-N 3.28Å; A100-A102 PolarHBondContact O-N 3.14Å; A102-C104 VanDerWaalsContact C-N 3.33Å; A102-C104 PolarHBondContact O-N 3.42Å; A102-K105 CarbonylContact O-C 3.57Å; A102-K105 WeakPolarHBondContact O-CA 3.16Å; A102-K105 WeakPolarHBondContact O-CB 3.45Å; A102-K105 PolarHBondContact O-N 3.46Å; A102-G106 PolarHBondContact O-N 3.26Å; A102-G106 VanDerWaalsContact O-N 3.09Å; A102-L107 HydrophobicContact CB-CB 4.15Å; A102-L107 HydrophobicContact CB-CD1 4.37Å; A102-L107 PolarHBondContact O-N 3.07Å; A102-L112 HydrophobicContact CB-CD1 3.41Å; A102-L112 VanDerWaalsContact CB-CD1 3.41Å
103D95.3Very high95.2Very high98 Ų9856.6 Ų56.652%0.52431%0.308SS..Hα-helixtrans-59.4-45175.2-62-22.3000110.7E99 A100 K105 G106E99-D103 PolarHBondContact O-N 3.48Å; A100-D103 PolarHBondContact O-N 3.36Å; D103-K105 PolarHBondContact O-N 2.82Å; D103-G106 PolarHBondContact O-N 3.39Å
104C94.8Very high95.2Very high117 Ų11751 Ų5179%0.79128%0.282SS*.THydrogen-bonded Turntrans-61.9-24.3174.6-67.90000113.8A100 A102A100-C104 PolarHBondContact O-N 2.97Å; A100-C104 PolarHBondContact O-SG 3.47Å; A102-C104 VanDerWaalsContact C-N 3.33Å; A102-C104 PolarHBondContact O-N 3.42Å
105K93.7Very high95.1Very high111 Ų11152.8 Ų52.848%0.48329%0.29SS..THydrogen-bonded Turntrans-91-4.1175.5-75.8-174.1173.9-156.90113.3S14 C15 N101 A102 D103 L107S14-K105 WeakPolarHBondContact O-CD 3.48Å; S14-K105 PolarHBondContact O-NZ 2.79Å; C15-K105 HydrophobicContact CB-CD 4.49Å; N101-K105 WeakPolarHBondContact O-CG 3.33Å; N101-K105 PolarHBondContact O-N 3.17Å; A102-K105 CarbonylContact O-C 3.57Å; A102-K105 WeakPolarHBondContact O-CA 3.16Å; A102-K105 WeakPolarHBondContact O-CB 3.45Å; A102-K105 PolarHBondContact O-N 3.46Å; D103-K105 PolarHBondContact O-N 2.82Å; K105-L107 VanDerWaalsContact C-N 3.32Å; K105-L107 HydrophobicContact CB-CD1 4.3Å; K105-L107 HydrophobicContact CB-CG 4.03Å; K105-L107 HydrophobicContact CD-CD1 4.41Å
106G93.7Very high95Very high70 Ų7053.4 Ų53.472%0.72229%0.293SS*.THydrogen-bonded Turntrans69.527-175.100000113.9A102 D103A102-G106 PolarHBondContact O-N 3.26Å; A102-G106 VanDerWaalsContact O-N 3.09Å; D103-G106 PolarHBondContact O-N 3.39Å
107L93.8Very high95Very high17 Ų1747 Ų479%0.08927%0.269CS..  trans-85.3146.1174.2-59.2176.5000110.3C15 A102 K105 A109 L112C15-L107 HydrophobicContact CB-CD1 4.35Å; A102-L107 HydrophobicContact CB-CB 4.15Å; A102-L107 HydrophobicContact CB-CD1 4.37Å; A102-L107 PolarHBondContact O-N 3.07Å; K105-L107 VanDerWaalsContact C-N 3.32Å; K105-L107 HydrophobicContact CB-CD1 4.3Å; K105-L107 HydrophobicContact CB-CG 4.03Å; K105-L107 HydrophobicContact CD-CD1 4.41Å; L107-A109 PolarHBondContact O-N 3.24Å; L107-L112 HydrophobicContact CB-CD2 4.44Å; L107-L112 HydrophobicContact CD1-CD2 4.37Å
108D92.9Very high95Very high64 Ų6446 Ų4634%0.34226%0.262SS..  trans-75.1111174.9179.44.7000111.1D110 R111 L112D108-D110 PolarHBondContact O-N 2.94Å; D108-D110 PolarHBondContact OD1-N 3.07Å; D108-R111 HydrophobicContact CB-CB 4.32Å; D108-R111 HydrophobicContact CB-CG 4.34Å; D108-R111 PolarHBondContact O-N 3.19Å; D108-R111 VanDerWaalsContact O-N 3.11Å; D108-R111 WeakPolarHBondContact OD2-CD 3.43Å; D108-R111 VanDerWaalsContact OD2-CG 3.3Å; D108-R111 WeakPolarHBondContact OD2-CG 3.22Å; D108-R111 IonicContact OD2-NE 3.73Å; D108-R111 PolarHBondContact OD2-NE 3.33Å; D108-L112 PolarHBondContact O-N 3.36Å
109A91.1Very high95.1Very high10 Ų1046.5 Ų46.58%0.08327%0.265CS..G310 helixtrans-57.5-28.7-179.800000113.8E99 L107 R111E99-A109 HydrophobicContact CG-CB 4.43Å; L107-A109 PolarHBondContact O-N 3.24Å; A109-R111 VanDerWaalsContact C-N 3.33Å
110D92.8Very high95.1Very high102 Ų10248.1 Ų48.155%0.54528%0.275SS..G310 helixtrans-77.4-22.6-178.4-68.8-26.4000112.5R42 D108R42-D110 IonicContact CZ-OD1 2.97Å; R42-D110 VanDerWaalsContact CZ-OD1 3.31Å; R42-D110 IonicContact NE-OD1 3.35Å; R42-D110 PolarHBondContact NE-OD1 3.04Å; R42-D110 IonicContact NH2-OD1 2.75Å; R42-D110 PolarHBondContact NH2-OD1 2.94Å; D108-D110 PolarHBondContact O-N 2.94Å; D108-D110 PolarHBondContact OD1-N 3.07Å
111R93.1Very high95.1Very high93 Ų9354.2 Ų54.235%0.35129%0.288SS..G310 helixtrans-92.7-3.4177.2-67.7175179.9-162.7-9.4113.8D108 A109 E152 K153 E155D108-R111 HydrophobicContact CB-CB 4.32Å; D108-R111 HydrophobicContact CB-CG 4.34Å; D108-R111 PolarHBondContact O-N 3.19Å; D108-R111 VanDerWaalsContact O-N 3.11Å; D108-R111 WeakPolarHBondContact OD2-CD 3.43Å; D108-R111 VanDerWaalsContact OD2-CG 3.3Å; D108-R111 WeakPolarHBondContact OD2-CG 3.22Å; D108-R111 IonicContact OD2-NE 3.73Å; D108-R111 PolarHBondContact OD2-NE 3.33Å; A109-R111 VanDerWaalsContact C-N 3.33Å; R111-E152 HydrophobicContact CB-CG 3.62Å; R111-K153 PolarHBondContact O-N 3.07Å; R111-E155 VanDerWaalsContact CZ-CD 3.5Å; R111-E155 IonicContact CZ-OE1 3.51Å; R111-E155 IonicContact CZ-OE2 3.37Å; R111-E155 IonicContact NE-OE1 3.56Å; R111-E155 IonicContact NH2-OE1 2.71Å; R111-E155 PolarHBondContact NH2-OE1 2.94Å; R111-E155 IonicContact NH2-OE2 2.79Å; R111-E155 PolarHBondContact NH2-OE2 2.86Å
112L95.7Very high95.2Very high0 Ų052 Ų520%028%0.277CS..EExtended strand (participates in β ladder)trans-72.5133.9179.5-67.5175000112.3L41 A102 L107 D108 L150 E152L41-L112 HydrophobicContact CB-CB 4.03Å; L41-L112 HydrophobicContact CD2-CB 4.2Å; L41-L112 HydrophobicContact CD2-CD1 3.89Å; L41-L112 PolarHBondContact N-O 3.5Å; A102-L112 HydrophobicContact CB-CD1 3.41Å; A102-L112 VanDerWaalsContact CB-CD1 3.41Å; L107-L112 HydrophobicContact CB-CD2 4.44Å; L107-L112 HydrophobicContact CD1-CD2 4.37Å; D108-L112 PolarHBondContact O-N 3.36Å; L112-L150 HydrophobicContact CB-CB 4.36Å; L112-L150 HydrophobicContact CB-CD1 4.46Å; L112-L150 HydrophobicContact CD1-CD1 4.06Å; L112-L150 HydrophobicContact CD2-CB 4.2Å; L112-E152 HydrophobicContact CD2-CB 4.31Å
113V96.3Very high95.2Very high30 Ų3059.8 Ų59.818%0.18231%0.314CS..EExtended strand (participates in β ladder)trans-121.3140.8174.1179.10000109.6H115 L150 T151 K153V113-H115 VanDerWaalsContact C-N 3.32Å; V113-H115 PolarHBondContact O-N 3.07Å; V113-L150 VanDerWaalsContact O-CA 3.3Å; V113-L150 WeakPolarHBondContact O-CA 3.32Å; V113-T151 PolarHBondContact N-O 3.41Å; V113-T151 PolarHBondContact O-N 3.1Å; V113-K153 HydrophobicContact CG2-CB 4.12Å
114V96.6Very high95.3Very high0 Ų057.9 Ų57.90%031%0.307CS..EExtended strand (participates in β ladder)trans-72.284.7173.6-174.40000109.6R38 M39 A44 L95 I117 V148 L150R38-V114 VanDerWaalsContact CA-O 3.24Å; R38-V114 WeakPolarHBondContact CA-O 3.46Å; R38-V114 PolarHBondContact N-O 3.25Å; M39-V114 PolarHBondContact O-N 3.04Å; A44-V114 HydrophobicContact CB-CG2 4.3Å; L95-V114 HydrophobicContact CD2-CG2 4.19Å; V114-I117 HydrophobicContact CG1-CB 4.15Å; V114-I117 HydrophobicContact CG1-CG2 4.29Å; V114-V148 HydrophobicContact CG1-CG1 4.3Å; V114-L150 HydrophobicContact CB-CD2 4.08Å; V114-L150 HydrophobicContact CG1-CD2 4.38Å; V114-L150 HydrophobicContact CG2-CD2 3.65Å
115H94.9Very high95.3Very high50 Ų5056.4 Ų56.423%0.23129%0.291CS..EExtended strand (participates in β ladder)trans-70-50.1-177.8-175.751.9000112.3R6 D9 V113 I149 T151R6-H115 PolarHBondContact NH2-NE2 3.39Å; D9-H115 IonicContact OD2-NE2 3.83Å; V113-H115 VanDerWaalsContact C-N 3.32Å; V113-H115 PolarHBondContact O-N 3.07Å; H115-I149 PolarHBondContact N-O 2.93Å; H115-T151 HydrophobicContact CB-CG2 3.87Å
116H95.7Very high95.4Very high14 Ų1460.9 Ų60.97%0.06531%0.305CS..EExtended strand (participates in β ladder)trans-127131.6-179.9-173.965.9000110.3S5 Q118 E147 V148 I149S5-H116 PolarHBondContact OG-NE2 3.13Å; S5-H116 VanDerWaalsContact OG-NE2 3.07Å; H116-Q118 PolarHBondContact NE2-OE1 3.36Å; H116-E147 IonicContact NE2-OE1 2.73Å; H116-V148 CarbonylContact O-C 3.54Å; H116-V148 WeakPolarHBondContact O-CA 3.39Å; H116-I149 HydrophobicContact CB-CB 4.08Å; H116-I149 HydrophobicContact CB-CD1 4.22Å; H116-I149 HydrophobicContact CB-CG1 4.25Å; H116-I149 PolarHBondContact N-O 3.28Å; H116-I149 PolarHBondContact O-N 3.14Å
117I97Very high95.5Very high3 Ų363.6 Ų63.62%0.01529%0.293CS..EExtended strand (participates in β ladder)trans-139.6130.4167.2-175.5167.4000107.7A33 I36 K37 L91 V114 V146 E147 V148A33-I117 HydrophobicContact CB-CD1 3.57Å; A33-I117 HydrophobicContact CB-CG1 3.86Å; A33-I117 HydrophobicContact CB-CG2 4.35Å; A33-I117 VanDerWaalsContact O-CG2 3.26Å; A33-I117 WeakPolarHBondContact O-CG2 3.45Å; I36-I117 HydrophobicContact CD1-CD1 3.67Å; I36-I117 HydrophobicContact CG1-CD1 4.01Å; K37-I117 HydrophobicContact CB-CG2 3.78Å; K37-I117 HydrophobicContact CD-CG2 4.35Å; K37-I117 HydrophobicContact CG-CG2 3.95Å; L91-I117 HydrophobicContact CD2-CD1 3.99Å; V114-I117 HydrophobicContact CG1-CB 4.15Å; V114-I117 HydrophobicContact CG1-CG2 4.29Å; I117-V146 HydrophobicContact CG1-CG1 4.43Å; I117-E147 WeakPolarHBondContact CA-O 3.43Å; I117-V148 HydrophobicContact CB-CG2 4.22Å; I117-V148 HydrophobicContact CD1-CG2 3.7Å; I117-V148 HydrophobicContact CG1-CG2 3.68Å
118Q96.5Very high95.7Very high53 Ų5371.4 Ų71.425%0.24832%0.322CS..EExtended strand (participates in β ladder)trans-133.4137.6-179.7175.5164.9-29.100110.2S5 H116 N120 V146 E147S5-Q118 PolarHBondContact OG-OE1 2.98Å; H116-Q118 PolarHBondContact NE2-OE1 3.36Å; Q118-N120 WeakPolarHBondContact CG-OD1 3.31Å; Q118-N120 PolarHBondContact NE2-ND2 2.86Å; Q118-N120 PolarHBondContact NE2-OD1 3.34Å; Q118-V146 WeakPolarHBondContact O-CA 3.35Å; Q118-E147 HydrophobicContact CB-CG 3.86Å; Q118-E147 PolarHBondContact N-O 3.04Å; Q118-E147 PolarHBondContact O-N 2.78Å
119V97.8Very high95.9Very high11 Ų1170.7 Ų70.77%0.06732%0.32CS..EExtended strand (participates in β ladder)trans-120.5116.7176.3-175.10000107.2F26 T29 H30 A33 C144 H145 V146F26-V119 HydrophobicContact CD2-CG1 3.81Å; F26-V119 HydrophobicContact CE2-CB 4.5Å; F26-V119 HydrophobicContact CE2-CG1 3.93Å; F26-V119 WeakPolarHBondContact CE2-O 3.12Å; T29-V119 HydrophobicContact CG2-CG1 4.25Å; T29-V119 HydrophobicContact CG2-CG2 4.24Å; H30-V119 HydrophobicContact CB-CB 4.42Å; A33-V119 HydrophobicContact CB-CG2 3.43Å; A33-V119 VanDerWaalsContact CB-CG2 3.43Å; V119-C144 HydrophobicContact CG1-CB 3.7Å; V119-H145 CarbonylContact C-O 3.1Å; V119-H145 WeakPolarHBondContact CA-O 3.4Å; V119-V146 HydrophobicContact CG1-CG2 4.23Å; V119-V146 HydrophobicContact CG2-CG1 4.31Å; V119-V146 HydrophobicContact CG2-CG2 4.16Å
120N97.3Very high96.2Very high64 Ų6478.7 Ų78.734%0.34235%0.349SS..EExtended strand (participates in β ladder)trans-106.2151176.5-66.9-28.7000110.2Q118 A122 C144 H145Q118-N120 WeakPolarHBondContact CG-OD1 3.31Å; Q118-N120 PolarHBondContact NE2-ND2 2.86Å; Q118-N120 PolarHBondContact NE2-OD1 3.34Å; N120-A122 PolarHBondContact O-N 3.46Å; N120-C144 CarbonylContact O-C 3.58Å; N120-C144 WeakPolarHBondContact O-CA 3.29Å; N120-C144 WeakPolarHBondContact O-CB 3.47Å; N120-H145 HydrophobicContact CB-CB 4.33Å; N120-H145 PolarHBondContact N-O 3.44Å; N120-H145 PolarHBondContact O-N 3.17Å
121R97.1Very high96.4Very high175 Ų17580.2 Ų80.266%0.6635%0.347SS*.EExtended strand (participates in β ladder)trans-68.6133171.8-66.7-178.4179.4174.11.9108.9F26F26-R121 HydrophobicContact CD1-CG 3.81Å; F26-R121 HydrophobicContact CD2-CB 4.34Å; F26-R121 HydrophobicContact CD2-CG 3.63Å; F26-R121 HydrophobicContact CE1-CG 3.78Å; F26-R121 HydrophobicContact CE2-CB 4.43Å; F26-R121 HydrophobicContact CE2-CG 3.59Å; F26-R121 HydrophobicContact CG-CG 3.75Å; F26-R121 HydrophobicContact CZ-CG 3.67Å
122A96.8Very high96.6Very high9 Ų978.7 Ų78.77%0.07435%0.354CS..PPolyproline II helixtrans-95.3171.1168.800000110.1N120 C124 P143 H145N120-A122 PolarHBondContact O-N 3.46Å; A122-C124 PolarHBondContact O-N 3.26Å; A122-P143 HydrophobicContact CB-CB 4.04Å; A122-P143 HydrophobicContact CB-CG 3.86Å; A122-P143 PolarHBondContact N-O 3Å; A122-H145 WeakPolarHBondContact CA-NE2 3.36Å; A122-H145 VanDerWaalsContact CB-NE2 3.29Å; A122-H145 WeakPolarHBondContact CB-NE2 3.38Å
123Q96.7Very high96.6Very high165 Ų16587.2 Ų87.277%0.77139%0.394SS*.PPolyproline II helixtrans-57.5129178.2-171.2178.314.500110.9L125 P143Q123-L125 PolarHBondContact O-N 2.87Å; Q123-P143 WeakPolarHBondContact O-CG 3.37Å
124C96.1Very high96.6Very high58 Ų5889.4 Ų89.439%0.39242%0.422SS..PPolyproline II helixtrans-65128.2179-690000111A122 M140 S141A122-C124 PolarHBondContact O-N 3.26Å; C124-M140 HydrophobicContact CB-CB 4.34Å; C124-M140 HydrophobicContact CB-SD 4.12Å; C124-S141 VanDerWaalsContact CA-O 3.26Å; C124-S141 WeakPolarHBondContact CA-O 3.49Å
125L95.4Very high96.6Very high86 Ų8695.3 Ų95.345%0.4545%0.445SS..BIsolated β-bridgetrans-82.2129.5173.7-52.4175000109.1Q123 M140 S141 P143Q123-L125 PolarHBondContact O-N 2.87Å; L125-M140 CarbonylContact O-C 3.58Å; L125-M140 VanDerWaalsContact O-CA 3.29Å; L125-M140 WeakPolarHBondContact O-CA 3.49Å; L125-S141 PolarHBondContact N-O 3.15Å; L125-S141 VanDerWaalsContact N-O 3.14Å; L125-S141 PolarHBondContact O-N 3.5Å; L125-P143 HydrophobicContact CG-CG 4.33Å
126R95.9Very high96.7Very high205 Ų20597.4 Ų97.477%0.77446%0.456SS*.PPolyproline II helixtrans-91.7130.8-170.9-61.5175.870.794.1-4.2111
127R96.6Very high96.8Very high127 Ų12799.7 Ų99.748%0.47947%0.469SS..  trans-138.2168.8164.1-58.2-177.7-67-178.8-2.5108.6Y139R127-Y139 WeakPolarHBondContact CB-O 3.15Å; R127-Y139 PolarHBondContact O-N 3.49Å
128R96.6Very high96.8Very high181 Ų181103.8 Ų103.868%0.68350%0.496SS*.EExtended strand (participates in β ladder)trans-112.8152.5-179.6-61175.4-175.7179.31.1110I136R128-I136 HydrophobicContact CB-CG2 3.91Å; R128-I136 HydrophobicContact CG-CG2 4.04Å
129T97.8Very high96.8Very high49 Ų49107.7 Ų107.730%0.30151%0.51SS..EExtended strand (participates in β ladder)trans-129.4128.8165.4-178.20000108.7N137T129-N137 HydrophobicContact CG2-CB 3.75Å; T129-N137 WeakPolarHBondContact CG2-O 3.46Å; T129-N137 PolarHBondContact N-O 3.05Å; T129-N137 PolarHBondContact O-N 3.38Å
130Y97.2Very high96.7Very high177 Ų177111.3 Ų111.369%0.69453%0.527SS*.EExtended strand (participates in β ladder)trans-81139.1179.2-59.9-71.8000110.1I136Y130-I136 HydrophobicContact CD1-CD1 4.49Å; Y130-I136 HydrophobicContact CD1-CG1 4.05Å; Y130-I136 HydrophobicContact CE1-CD1 4.17Å; Y130-I136 HydrophobicContact CE1-CG1 4.22Å
131R97.2Very high96.7Very high134 Ų134109.6 Ų109.651%0.50652%0.52SS..EExtended strand (participates in β ladder)trans-128.6163.1-176.7-61.5-61.7-66.8-134.90.1110.4R135 N137R131-R135 HydrophobicContact CB-CB 4.04Å; R131-R135 PolarHBondContact N-O 2.96Å; R131-R135 PolarHBondContact O-N 3.4Å; R131-N137 HydrophobicContact CG-CB 4.18Å
132A97Very high96.6Very high61 Ų61103.6 Ų103.650%0.50451%0.505SS..THydrogen-bonded Turntrans-50.8145.5177.600000112.4R135A132-R135 PolarHBondContact O-NE 3.27Å
133H96.6Very high96.7Very high179 Ų179103.4 Ų103.483%0.82950%0.503SS*.THydrogen-bonded Turntrans61.840.8-177.2-48.3-76.7000114.1R135H133-R135 PolarHBondContact O-N 3.3Å
134G95.3Very high96.7Very high76 Ų7695.5 Ų95.578%0.78447%0.466SS*.THydrogen-bonded Turntrans70.611.3173.400000115.5
135R97Very high96.8Very high125 Ų12595.6 Ų95.647%0.47246%0.46SS..EExtended strand (participates in β ladder)trans-78.4147.5-178.6-66.3-178.5-62.4141.2-8.1111.7R131 A132 H133R131-R135 HydrophobicContact CB-CB 4.04Å; R131-R135 PolarHBondContact N-O 2.96Å; R131-R135 PolarHBondContact O-N 3.4Å; A132-R135 PolarHBondContact O-NE 3.27Å; H133-R135 PolarHBondContact O-N 3.3Å
136I96.7Very high96.9Very high93 Ų9391.6 Ų91.648%0.47744%0.439SS..EExtended strand (participates in β ladder)trans-122120.9176.5-56.8177.1000109.2R128 Y130R128-I136 HydrophobicContact CB-CG2 3.91Å; R128-I136 HydrophobicContact CG-CG2 4.04Å; Y130-I136 HydrophobicContact CD1-CD1 4.49Å; Y130-I136 HydrophobicContact CD1-CG1 4.05Å; Y130-I136 HydrophobicContact CE1-CD1 4.17Å; Y130-I136 HydrophobicContact CE1-CG1 4.22Å
137N97.2Very high96.9Very high62 Ų6282.2 Ų82.233%0.33240%0.404SS..EExtended strand (participates in β ladder)trans-109.5156.3176.8-74.98000111.3T129 R131T129-N137 HydrophobicContact CG2-CB 3.75Å; T129-N137 WeakPolarHBondContact CG2-O 3.46Å; T129-N137 PolarHBondContact N-O 3.05Å; T129-N137 PolarHBondContact O-N 3.38Å; R131-N137 HydrophobicContact CG-CB 4.18Å
138P97.1Very high96.9Very high90 Ų9076.3 Ų76.358%0.58438%0.382SS*.EExtended strand (participates in β ladder)trans-72137.6174.628.2-33.7000112.1M140P138-M140 HydrophobicContact CB-CE 3.71Å; P138-M140 HydrophobicContact CB-CG 4.09Å; P138-M140 HydrophobicContact CG-CE 4.49Å
139Y96.6Very high96.9Very high135 Ų13567.7 Ų67.753%0.52935%0.35SS..  trans-121.961.7171.7-166.3-117.1000110.5R127R127-Y139 WeakPolarHBondContact CB-O 3.15Å; R127-Y139 PolarHBondContact O-N 3.49Å
140M96.5Very high96.8Very high86 Ų8665.4 Ų65.442%0.42434%0.336SS..  trans-73.7143.1-170.7-61.6-176-169.500112.7C124 L125 P138C124-M140 HydrophobicContact CB-CB 4.34Å; C124-M140 HydrophobicContact CB-SD 4.12Å; L125-M140 CarbonylContact O-C 3.58Å; L125-M140 VanDerWaalsContact O-CA 3.29Å; L125-M140 WeakPolarHBondContact O-CA 3.49Å; P138-M140 HydrophobicContact CB-CE 3.71Å; P138-M140 HydrophobicContact CB-CG 4.09Å; P138-M140 HydrophobicContact CG-CE 4.49Å
141S96.1Very high96.7Very high28 Ų2858.3 Ų58.320%0.19631%0.311CS..BIsolated β-bridgetrans-88.1143.6164.4-175.50000109.7C124 L125 P143C124-S141 VanDerWaalsContact CA-O 3.26Å; C124-S141 WeakPolarHBondContact CA-O 3.49Å; L125-S141 PolarHBondContact N-O 3.15Å; L125-S141 VanDerWaalsContact N-O 3.14Å; L125-S141 PolarHBondContact O-N 3.5Å; S141-P143 VanDerWaalsContact C-CD 3.42Å; S141-P143 WeakPolarHBondContact O-CD 3.34Å
142S96.5Very high96.6Very high50 Ų5054 Ų5435%0.3530%0.297SS..  trans-112.277176.7-58.70000111.2F26F26-S142 PolarHBondContact N-O 2.91Å; F26-S142 VanDerWaalsContact N-O 3.07Å
143P98Very high96.2Very high4 Ų458.1 Ų58.13%0.02630%0.303CS..  trans-67.2171.8175.929.4-32.7000112L22 V24 A122 Q123 L125 S141L22-P143 WeakPolarHBondContact O-CA 3.49Å; L22-P143 WeakPolarHBondContact O-CB 3.45Å; V24-P143 WeakPolarHBondContact O-CA 3.43Å; A122-P143 HydrophobicContact CB-CB 4.04Å; A122-P143 HydrophobicContact CB-CG 3.86Å; A122-P143 PolarHBondContact N-O 3Å; Q123-P143 WeakPolarHBondContact O-CG 3.37Å; L125-P143 HydrophobicContact CG-CG 4.33Å; S141-P143 VanDerWaalsContact C-CD 3.42Å; S141-P143 WeakPolarHBondContact O-CD 3.34Å
144C97.6Very high95.4Very high0 Ų055.3 Ų55.30%029%0.29CS..EExtended strand (participates in β ladder)trans-138.4156.5178.766.40000114L22 V24 F26 V119 N120L22-C144 WeakPolarHBondContact CB-O 3.33Å; L22-C144 PolarHBondContact N-O 2.86Å; L22-C144 PolarHBondContact O-N 2.87Å; V24-C144 WeakPolarHBondContact CG2-SG 3.44Å; F26-C144 HydrophobicContact CB-CB 4.24Å; F26-C144 HydrophobicContact CD2-CB 3.93Å; V119-C144 HydrophobicContact CG1-CB 3.7Å; N120-C144 CarbonylContact O-C 3.58Å; N120-C144 WeakPolarHBondContact O-CA 3.29Å; N120-C144 WeakPolarHBondContact O-CB 3.47Å
145H97.1Very high94.2Very high60 Ų6057.7 Ų57.728%0.27828%0.281SS..EExtended strand (participates in β ladder)trans-98.2133.7162.1-51.1-82000108.2G19 P20 N21 V119 N120 A122G19-H145 WeakPolarHBondContact O-CA 3.46Å; P20-H145 WeakPolarHBondContact CA-ND1 3.27Å; N21-H145 PolarHBondContact N-ND1 3.27Å; N21-H145 VanDerWaalsContact N-ND1 3.11Å; N21-H145 PolarHBondContact OD1-CE1 2.71Å; V119-H145 CarbonylContact C-O 3.1Å; V119-H145 WeakPolarHBondContact CA-O 3.4Å; N120-H145 HydrophobicContact CB-CB 4.33Å; N120-H145 PolarHBondContact N-O 3.44Å; N120-H145 PolarHBondContact O-N 3.17Å; A122-H145 WeakPolarHBondContact CA-NE2 3.36Å; A122-H145 VanDerWaalsContact CB-NE2 3.29Å; A122-H145 WeakPolarHBondContact CB-NE2 3.38Å
146V97.2Very high92.7Very high1 Ų159.3 Ų59.31%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-121.2134.5176.7-173.90000109.1R18 G19 L22 T29 L91 L94 I117 Q118 V119 V148R18-V146 CarbonylContact C-O 3.47Å; R18-V146 WeakPolarHBondContact CA-O 3.34Å; R18-V146 WeakPolarHBondContact CG-O 3.12Å; G19-V146 PolarHBondContact N-O 2.97Å; G19-V146 PolarHBondContact O-N 2.94Å; L22-V146 HydrophobicContact CD1-CB 4.11Å; L22-V146 HydrophobicContact CD1-CG2 3.79Å; T29-V146 HydrophobicContact CG2-CG2 3.94Å; L91-V146 HydrophobicContact CD2-CG1 3.85Å; L94-V146 HydrophobicContact CD2-CB 3.92Å; L94-V146 HydrophobicContact CD2-CG1 3.4Å; L94-V146 VanDerWaalsContact CD2-CG1 3.4Å; I117-V146 HydrophobicContact CG1-CG1 4.43Å; Q118-V146 WeakPolarHBondContact O-CA 3.35Å; V119-V146 HydrophobicContact CG1-CG2 4.23Å; V119-V146 HydrophobicContact CG2-CG1 4.31Å; V119-V146 HydrophobicContact CG2-CG2 4.16Å; V146-V148 HydrophobicContact CG1-CG2 4.49Å
147E96.7Very high91.2Very high9 Ų960.9 Ų60.94%0.04231%0.312CS..EExtended strand (participates in β ladder)trans-129.9143.1171.162.2-177.9-157.500110.6Y4 S5 A17 R18 H116 I117 Q118Y4-E147 HydrophobicContact CD1-CB 3.88Å; Y4-E147 HydrophobicContact CD1-CG 4.31Å; Y4-E147 HydrophobicContact CE1-CB 3.78Å; S5-E147 VanDerWaalsContact CB-OE1 3.25Å; S5-E147 WeakPolarHBondContact CB-OE1 3.39Å; S5-E147 PolarHBondContact N-OE1 2.83Å; S5-E147 PolarHBondContact OG-OE1 3.47Å; A17-E147 WeakPolarHBondContact O-CA 3.27Å; R18-E147 IonicContact CZ-OE2 3.3Å; R18-E147 IonicContact NE-OE2 3.31Å; R18-E147 IonicContact NH2-OE2 3.6Å; R18-E147 PolarHBondContact NH2-OE2 3.5Å; H116-E147 IonicContact NE2-OE1 2.73Å; I117-E147 WeakPolarHBondContact CA-O 3.43Å; Q118-E147 HydrophobicContact CB-CG 3.86Å; Q118-E147 PolarHBondContact N-O 3.04Å; Q118-E147 PolarHBondContact O-N 2.78Å
148V96.7Very high89.7Confident2 Ų262.8 Ų62.81%0.01233%0.33CS..EExtended strand (participates in β ladder)trans-133.3140.6-178.6175.70000108.9K16 A17 L94 L95 V114 H116 I117 V146 L150K16-V148 WeakPolarHBondContact CA-O 3.35Å; A17-V148 PolarHBondContact N-O 2.81Å; A17-V148 PolarHBondContact O-N 3.27Å; L94-V148 HydrophobicContact CD2-CB 4.41Å; L94-V148 HydrophobicContact CD2-CG2 3.58Å; L94-V148 HydrophobicContact CG-CG2 4.23Å; L95-V148 HydrophobicContact CD2-CG1 4.28Å; V114-V148 HydrophobicContact CG1-CG1 4.3Å; H116-V148 CarbonylContact O-C 3.54Å; H116-V148 WeakPolarHBondContact O-CA 3.39Å; I117-V148 HydrophobicContact CB-CG2 4.22Å; I117-V148 HydrophobicContact CD1-CG2 3.7Å; I117-V148 HydrophobicContact CG1-CG2 3.68Å; V146-V148 HydrophobicContact CG1-CG2 4.49Å; V148-L150 HydrophobicContact CG1-CD2 3.63Å; V148-L150 HydrophobicContact CG1-CG 4.18Å
149I96.3Very high88.2Confident1 Ų167.9 Ų67.91%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-125.3120169.6-51.5178.8000106.8Y4 R6 C15 K16 H115 H116 T151Y4-I149 HydrophobicContact CD1-CD1 4.49Å; Y4-I149 HydrophobicContact CD1-CG1 4.37Å; R6-I149 WeakPolarHBondContact O-CD1 3.39Å; C15-I149 WeakPolarHBondContact O-CA 3.43Å; K16-I149 HydrophobicContact CG-CG1 4.17Å; K16-I149 HydrophobicContact CG-CG2 4.32Å; H115-I149 PolarHBondContact N-O 2.93Å; H116-I149 HydrophobicContact CB-CB 4.08Å; H116-I149 HydrophobicContact CB-CD1 4.22Å; H116-I149 HydrophobicContact CB-CG1 4.25Å; H116-I149 PolarHBondContact N-O 3.28Å; H116-I149 PolarHBondContact O-N 3.14Å; I149-T151 HydrophobicContact CG2-CG2 4.44Å
150L96.7Very high86.4Confident0 Ų065.6 Ų65.60%035%0.352CS..EExtended strand (participates in β ladder)trans-98.6141.3169.7-47.2-179.8000108.4S14 C15 L41 L95 A98 L112 V113 V114 V148S14-L150 CarbonylContact C-O 3.56Å; S14-L150 WeakPolarHBondContact CA-O 3.5Å; S14-L150 VanDerWaalsContact CB-O 3.28Å; S14-L150 WeakPolarHBondContact CB-O 3.38Å; C15-L150 PolarHBondContact N-O 3.02Å; C15-L150 PolarHBondContact O-N 3.21Å; C15-L150 VanDerWaalsContact SG-CB 3.6Å; L41-L150 HydrophobicContact CD1-CD1 3.94Å; L41-L150 HydrophobicContact CD2-CD1 4.13Å; L95-L150 HydrophobicContact CD2-CD2 4.29Å; A98-L150 HydrophobicContact CB-CD1 3.58Å; A98-L150 HydrophobicContact CB-CG 4.08Å; L112-L150 HydrophobicContact CB-CB 4.36Å; L112-L150 HydrophobicContact CB-CD1 4.46Å; L112-L150 HydrophobicContact CD1-CD1 4.06Å; L112-L150 HydrophobicContact CD2-CB 4.2Å; V113-L150 VanDerWaalsContact O-CA 3.3Å; V113-L150 WeakPolarHBondContact O-CA 3.32Å; V114-L150 HydrophobicContact CB-CD2 4.08Å; V114-L150 HydrophobicContact CG1-CD2 4.38Å; V114-L150 HydrophobicContact CG2-CD2 3.65Å; V148-L150 HydrophobicContact CG1-CD2 3.63Å; V148-L150 HydrophobicContact CG1-CG 4.18Å
151T95.2Very high84.5Confident29 Ų2966.9 Ų66.918%0.17837%0.365CS..EExtended strand (participates in β ladder)trans-125.3137.7174.955.60000108.4K13 V113 H115 I149 K153K13-T151 WeakPolarHBondContact O-CA 3.5Å; V113-T151 PolarHBondContact N-O 3.41Å; V113-T151 PolarHBondContact O-N 3.1Å; H115-T151 HydrophobicContact CB-CG2 3.87Å; I149-T151 HydrophobicContact CG2-CG2 4.44Å; T151-K153 PolarHBondContact O-N 3.3Å
152E94.2Very high82.8Confident44 Ų4473.1 Ų73.121%0.20640%0.396CS..EExtended strand (participates in β ladder)trans-69.9125.8169.4-163.6-175.2165.300108.7K13 R111 L112K13-E152 HydrophobicContact CB-CB 4.31Å; K13-E152 PolarHBondContact O-N 3.42Å; R111-E152 HydrophobicContact CB-CG 3.62Å; L112-E152 HydrophobicContact CD2-CB 4.31Å
153K87.9Confident81Confident146 Ų14677.2 Ų77.264%0.63541%0.414SS*.PPolyproline II helixtrans-80.6129.4176.5-168.4-177.9177.4-1710108.8R111 V113 T151 E155R111-K153 PolarHBondContact O-N 3.07Å; V113-K153 HydrophobicContact CG2-CB 4.12Å; T151-K153 PolarHBondContact O-N 3.3Å; K153-E155 PolarHBondContact O-N 3.09Å
154E80.7Confident79.1Confident120 Ų12085.2 Ų85.256%0.56145%0.451SS*.PPolyproline II helixtrans-66.4130.2170.2-66.3-173.6162.400109.7K13 L156K13-E154 IonicContact NZ-OE1 3.27Å; K13-E154 PolarHBondContact NZ-OE1 2.85Å; E154-L156 PolarHBondContact O-N 2.89Å
155E69.6Low77.1Confident127 Ų12790.7 Ų90.759%0.59349%0.487SS*.  trans-67.8101.1165.9-78.3-179.9174.500108R111 K153 V157R111-E155 VanDerWaalsContact CZ-CD 3.5Å; R111-E155 IonicContact CZ-OE1 3.51Å; R111-E155 IonicContact CZ-OE2 3.37Å; R111-E155 IonicContact NE-OE1 3.56Å; R111-E155 IonicContact NH2-OE1 2.71Å; R111-E155 PolarHBondContact NH2-OE1 2.94Å; R111-E155 IonicContact NH2-OE2 2.79Å; R111-E155 PolarHBondContact NH2-OE2 2.86Å; K153-E155 PolarHBondContact O-N 3.09Å; E155-V157 PolarHBondContact O-N 2.76Å
156L67Low75.1Confident158 Ų15892.1 Ų92.183%0.82751%0.509SS*.  trans-70.392.7161.3-68.1168.8000106.3E154 S158E154-L156 PolarHBondContact O-N 2.89Å; L156-S158 PolarHBondContact O-N 3.39Å
157V63.3Low73.2Confident127 Ų127101.3 Ų101.377%0.7755%0.549SS*.  trans-58.7113.6164.6-179.10000105.7E155 K159E155-V157 PolarHBondContact O-N 2.76Å; V157-K159 PolarHBondContact O-N 2.94Å
158S66.2Low71.5Confident102 Ų102110.3 Ų110.371%0.71359%0.588SS**PPolyproline II helixtrans-55.1127.2173.147.20000108L156 A160L156-S158 PolarHBondContact O-N 3.39Å; S158-A160 PolarHBondContact O-N 2.9Å
159K66.2Low70Confident196 Ų196120 Ų12085%0.85263%0.63SS**PPolyproline II helixtrans-50.3136.6164.5-84.1-177.8173.3-178.60107.6V157 T161V157-K159 PolarHBondContact O-N 2.94Å; K159-T161 PolarHBondContact O-N 2.83Å; K159-T161 VanDerWaalsContact O-N 3.1Å
160A58Low68.7Low88 Ų88123.9 Ų123.973%0.72765%0.65SS**PPolyproline II helixtrans-50.2122.3170.800000108S158 D162S158-A160 PolarHBondContact O-N 2.9Å; A160-D162 PolarHBondContact O-N 3.04Å
161T57.8Low67.8Low112 Ų112127.7 Ų127.769%0.68768%0.677SS**PPolyproline II helixtrans-64.4124.1167.138.50000106.8K159 D163K159-T161 PolarHBondContact O-N 2.83Å; K159-T161 VanDerWaalsContact O-N 3.1Å; T161-D163 PolarHBondContact O-N 3.17Å
162D60.2Low67.1Low160 Ų160135 Ų13586%0.85671%0.706SS**  trans-68.549.9173.1-70.4-42.5000111.2A160 E164A160-D162 PolarHBondContact O-N 3.04Å; D162-E164 VanDerWaalsContact C-N 3.31Å
163D58.5Low66.5Low136 Ų136139.6 Ų139.673%0.72773%0.725SS**  trans-96.831.3176-75.5-47.9000111.2T161T161-D163 PolarHBondContact O-N 3.17Å
164E57.7Low66.1Low171 Ų171138.2 Ų138.280%0.79972%0.72SS**SBendtrans-78.9120.5151.2-81.5-141157.300107.6D162 A166D162-E164 VanDerWaalsContact C-N 3.31Å; E164-A166 PolarHBondContact O-N 3.42Å
165P55.2Low66.2Low115 Ų115136.3 Ų136.375%0.74771%0.713SS**  trans-61108.8171.926.1-32000106.9K167P165-K167 PolarHBondContact O-N 3.24Å
166A56Low66.8Low90 Ų90136.6 Ų136.674%0.74471%0.714SS**  trans-46107.5174.800000107.6E164 K168E164-A166 PolarHBondContact O-N 3.42Å; A166-K168 VanDerWaalsContact C-N 3.28Å; A166-K168 PolarHBondContact O-N 3.42Å
167K58.3Low67.7Low194 Ų194136.9 Ų136.984%0.84370%0.704SS**  trans-54.7100.5176.8-75176.8-178.9170.10105.5P165 K169P165-K167 PolarHBondContact O-N 3.24Å; K167-K169 VanDerWaalsContact C-N 3.35Å; K167-K169 PolarHBondContact O-N 3.2Å
168K60.7Low68.7Low199 Ų199135.5 Ų135.587%0.86569%0.689SS**  trans-56.9104.1177.7-77.3-177.6179.1176.30105.7A166 L170A166-K168 VanDerWaalsContact C-N 3.28Å; A166-K168 PolarHBondContact O-N 3.42Å; K168-L170 PolarHBondContact O-N 3.23Å
169K65Low69.6Low205 Ų205136.7 Ų136.789%0.89168%0.682SS**  trans-55.2108.1171.7-76.3-177.7177.5176.40106K167 S171K167-K169 VanDerWaalsContact C-N 3.35Å; K167-K169 PolarHBondContact O-N 3.2Å; K169-S171 PolarHBondContact O-N 3.04Å
170L68.1Low70.5Confident82 Ų82133 Ų13343%0.42967%0.667SS.*  trans-57.3126172.2-79.3157.4000107.1K168 K172 K174 L175K168-L170 PolarHBondContact O-N 3.23Å; L170-K172 PolarHBondContact O-N 3.34Å; L170-K174 HydrophobicContact CD2-CD 3.59Å; L170-K174 HydrophobicContact CD2-CG 4.1Å; L170-L175 HydrophobicContact CB-CD1 4.13Å
171S78.7Confident71.9Confident80 Ų80136.5 Ų136.556%0.55967%0.666SS**  trans-50.3137.3174.4166.70000110K169 K173 K174 L175K169-S171 PolarHBondContact O-N 3.04Å; S171-K173 PolarHBondContact O-N 2.84Å; S171-K173 PolarHBondContact OG-N 3.34Å; S171-K174 WeakPolarHBondContact O-CB 3.44Å; S171-K174 PolarHBondContact O-N 3.36Å; S171-L175 PolarHBondContact O-N 2.82Å
172K79.2Confident73.1Confident184 Ų184137.1 Ų137.180%0.866%0.663SS**Hα-helixtrans-46.5-36.5178-81.9-175.8175.5179.90112.2L170 K174 L175 Q176L170-K172 PolarHBondContact O-N 3.34Å; K172-K174 PolarHBondContact O-N 3.32Å; K172-L175 PolarHBondContact O-N 3.37Å; K172-Q176 PolarHBondContact O-N 2.81Å
173K81.9Confident74.2Confident139 Ų139135.6 Ų135.660%0.60465%0.654SS**Hα-helixtrans-65.3-36178.8-163.6171.2-174.11730113.2S171 R177S171-K173 PolarHBondContact O-N 2.84Å; S171-K173 PolarHBondContact OG-N 3.34Å; K173-R177 PolarHBondContact O-N 3.31Å; K173-R177 VanDerWaalsContact O-N 3.13Å
174K80.3Confident75.2Confident118 Ų118139.2 Ų139.251%0.51366%0.657SS.*Hα-helixtrans-74.3-35.8176.9-168.5165.7174.8-177.30111.2L170 S171 K172 R177 Q178L170-K174 HydrophobicContact CD2-CD 3.59Å; L170-K174 HydrophobicContact CD2-CG 4.1Å; S171-K174 WeakPolarHBondContact O-CB 3.44Å; S171-K174 PolarHBondContact O-N 3.36Å; K172-K174 PolarHBondContact O-N 3.32Å; K174-R177 PolarHBondContact O-N 3.45Å; K174-Q178 PolarHBondContact O-N 3.18Å
175L81.7Confident76.1Confident79 Ų79135.7 Ų135.741%0.41465%0.652SS.*Hα-helixtrans-66.5-41.7174.7-125.8139.7000111.9L170 S171 K172 Q178 K179L170-L175 HydrophobicContact CB-CD1 4.13Å; S171-L175 PolarHBondContact O-N 2.82Å; K172-L175 PolarHBondContact O-N 3.37Å; L175-Q178 PolarHBondContact O-N 3.14Å; L175-K179 WeakPolarHBondContact O-CG 2.99Å; L175-K179 PolarHBondContact O-N 2.93Å
176Q83.9Confident76.3Confident134 Ų134140.7 Ų140.763%0.62667%0.665SS**Hα-helixtrans-62-47.1172.6-90.4175.7-30.600112.2K172 Q178 K179 E180K172-Q176 PolarHBondContact O-N 2.81Å; Q176-Q178 VanDerWaalsContact C-N 3.29Å; Q176-Q178 PolarHBondContact O-N 3.34Å; Q176-K179 PolarHBondContact O-N 3.15Å; Q176-E180 WeakPolarHBondContact O-CB 3.42Å; Q176-E180 PolarHBondContact O-N 3.07Å
177R84.9Confident77.4Confident163 Ų163143.3 Ų143.362%0.61566%0.661SS**Hα-helixtrans-61.1-35.2177-79.6-178.2172.4-178-2.1113.4K173 K174 K181K173-R177 PolarHBondContact O-N 3.31Å; K173-R177 VanDerWaalsContact O-N 3.13Å; K174-R177 PolarHBondContact O-N 3.45Å; R177-K181 WeakPolarHBondContact O-CB 3.36Å; R177-K181 WeakPolarHBondContact O-CG 3.14Å; R177-K181 PolarHBondContact O-N 3.04Å; R177-K181 VanDerWaalsContact O-N 3.07Å
178Q83.3Confident78.4Confident98 Ų98140.6 Ų140.646%0.45865%0.652SS.*Hα-helixtrans-69.9-41.2175.4-79.9179.6-2300111.9K174 L175 Q176 K181 M182K174-Q178 PolarHBondContact O-N 3.18Å; L175-Q178 PolarHBondContact O-N 3.14Å; Q176-Q178 VanDerWaalsContact C-N 3.29Å; Q176-Q178 PolarHBondContact O-N 3.34Å; Q178-K181 PolarHBondContact O-N 3.37Å; Q178-M182 PolarHBondContact O-N 2.87Å; Q178-M182 VanDerWaalsContact O-N 3.08Å
179K86.4Confident79.4Confident128 Ų128137.3 Ų137.356%0.55764%0.64SS**Hα-helixtrans-62.3-44.6173.7-76-174.1172.8-168.20112.2L175 Q176 K181 M182 L183L175-K179 WeakPolarHBondContact O-CG 2.99Å; L175-K179 PolarHBondContact O-N 2.93Å; Q176-K179 PolarHBondContact O-N 3.15Å; K179-K181 VanDerWaalsContact C-N 3.31Å; K179-K181 PolarHBondContact O-N 3.23Å; K179-M182 PolarHBondContact O-N 3.19Å; K179-L183 PolarHBondContact O-N 3.38Å
180E85.5Confident80.2Confident117 Ų117133.4 Ų133.455%0.54763%0.625SS.*Hα-helixtrans-65.9-33.8179.6-161.6179.1-161.600112.2Q176 R184Q176-E180 WeakPolarHBondContact O-CB 3.42Å; Q176-E180 PolarHBondContact O-N 3.07Å; E180-R184 PolarHBondContact O-N 3.25Å
181K86.1Confident80.9Confident162 Ų162136.6 Ų136.670%0.70464%0.637SS**Hα-helixtrans-68-40.5171.5-82-171.9175.2-165.60112.9R177 Q178 K179 R184 S185R177-K181 WeakPolarHBondContact O-CB 3.36Å; R177-K181 WeakPolarHBondContact O-CG 3.14Å; R177-K181 PolarHBondContact O-N 3.04Å; R177-K181 VanDerWaalsContact O-N 3.07Å; Q178-K181 PolarHBondContact O-N 3.37Å; K179-K181 VanDerWaalsContact C-N 3.31Å; K179-K181 PolarHBondContact O-N 3.23Å; K181-R184 PolarHBondContact O-N 3.27Å; K181-S185 PolarHBondContact O-N 2.88Å; K181-S185 PolarHBondContact O-OG 3.37Å
182M84.3Confident81.1Confident126 Ų126140.3 Ų140.362%0.62164%0.642SS**Hα-helixtrans-66.3-40.1177.1-79.3-162.3-74.400112.1Q178 K179 R184 S185Q178-M182 PolarHBondContact O-N 2.87Å; Q178-M182 VanDerWaalsContact O-N 3.08Å; K179-M182 PolarHBondContact O-N 3.19Å; M182-R184 PolarHBondContact O-N 3.03Å; M182-S185 WeakPolarHBondContact CA-OG 3.29Å; M182-S185 PolarHBondContact O-N 3.18Å; M182-S185 VanDerWaalsContact O-N 3.17Å; M182-S185 PolarHBondContact O-OG 2.82Å
183L83Confident81.2Confident127 Ų127137.2 Ų137.267%0.66563%0.631SS**THydrogen-bonded Turntrans-65.7-17.4175-88153.9000114.2K179K179-L183 PolarHBondContact O-N 3.38Å
184R78.9Confident81.2Confident213 Ų213137.1 Ų137.180%0.80463%0.633SS**THydrogen-bonded Turntrans-93.1-8.4176.1-94.1-178.9170.3172.7-1.4113.6E180 K181 M182E180-R184 PolarHBondContact O-N 3.25Å; K181-R184 PolarHBondContact O-N 3.27Å; M182-R184 PolarHBondContact O-N 3.03Å
185S77.2Confident81.3Confident97 Ų97138.7 Ų138.768%0.67864%0.643SS**  trans-1051.6-179.352.90000113.7K181 M182K181-S185 PolarHBondContact O-N 2.88Å; K181-S185 PolarHBondContact O-OG 3.37Å; M182-S185 WeakPolarHBondContact CA-OG 3.29Å; M182-S185 PolarHBondContact O-N 3.18Å; M182-S185 VanDerWaalsContact O-N 3.17Å; M182-S185 PolarHBondContact O-OG 2.82Å
186E59.9Low81.2Confident220 Ų220144.1 Ų144.1100%1.02866%0.664SS**  trans-102.80165.1-67.9179.9167.200109

Retrieved 186 of 186 residues in 99.8 ms (Link to these results)

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