A0A087WXM6_HUMAN Loading...

Large ribosomal subunit protein uL22

AlphaFold DB , UniProt , Accession A0A087WXM6, Species HUMAN (Homo sapiens, Human), Gene RPL17, Length 169 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
1M60.9Low86.8Confident240 Ų240109.6 Ų109.6100%1.18255%0.552SS**  0133.70-161.1174.1-159.500108.8
2V77.9Confident87.2Confident91 Ų91109.2 Ų109.255%0.55256%0.559SS**PPolyproline II helixtrans-90.2121.5-174.2-171.30000110
3R88Confident87.7Confident228 Ų228106.3 Ų106.386%0.8654%0.54SS*.PPolyproline II helixtrans-85.5143.3178.9-64.5-176.6179173.9-0.7111.1R18R3-R18 PolarHBondContact O-NH1 2.57Å
4Y93.8Very high88.1Confident47 Ų4798.9 Ų98.918%0.18450%0.503CS..PPolyproline II helixtrans-82.9158.7171.4-75-117.9000108.7L6 K16 S17 R18 E147 I149Y4-L6 VanDerWaalsContact C-N 3.32Å; Y4-L6 WeakPolarHBondContact CB-O 2.98Å; Y4-K16 HydrophobicContact CD1-CD 4.33Å; Y4-K16 HydrophobicContact CD2-CD 4.08Å; Y4-K16 HydrophobicContact CE1-CB 3.94Å; Y4-K16 HydrophobicContact CE1-CD 4.28Å; Y4-K16 HydrophobicContact CE1-CG 4.37Å; Y4-K16 HydrophobicContact CE2-CB 4.32Å; Y4-K16 HydrophobicContact CE2-CD 4.03Å; Y4-K16 HydrophobicContact CG-CD 4.25Å; Y4-S17 VanDerWaalsContact OH-C 3.27Å; Y4-S17 PolarHBondContact OH-N 3.37Å; Y4-R18 HydrophobicContact CE1-CB 4.47Å; Y4-R18 WeakPolarHBondContact OH-CB 3.37Å; Y4-R18 PolarHBondContact OH-N 2.99Å; Y4-E147 HydrophobicContact CD1-CB 3.79Å; Y4-E147 HydrophobicContact CD1-CG 4.28Å; Y4-E147 HydrophobicContact CE1-CB 3.73Å; Y4-I149 HydrophobicContact CD1-CD1 4.35Å; Y4-I149 HydrophobicContact CD1-CG1 4.18Å; Y4-I149 HydrophobicContact CE1-CG1 4.5Å
5S92.8Very high88.5Confident70 Ų7092.3 Ų92.349%0.4947%0.47SS..SBendtrans-72.6-27.1174.757.70000113.6H116 Q118 E147S5-H116 PolarHBondContact OG-CE1 3.46Å; S5-H116 PolarHBondContact OG-NE2 3.11Å; S5-Q118 PolarHBondContact OG-OE1 3.34Å; S5-E147 VanDerWaalsContact CB-OE1 3.27Å; S5-E147 WeakPolarHBondContact CB-OE1 3.33Å; S5-E147 PolarHBondContact N-OE1 2.98Å; S5-E147 PolarHBondContact OG-OE1 2.92Å
6L92.9Very high88.9Confident75 Ų7590.7 Ų90.739%0.39346%0.458SS..SBendtrans-127.2140.9179.3-172.773.7000108.5Y4 H116 I149Y4-L6 VanDerWaalsContact C-N 3.32Å; Y4-L6 WeakPolarHBondContact CB-O 2.98Å; L6-H116 HydrophobicContact CD2-CB 3.87Å; L6-I149 HydrophobicContact CB-CD1 4.42Å; L6-I149 VanDerWaalsContact O-CD1 3.22Å; L6-I149 WeakPolarHBondContact O-CD1 3.36Å
7D91.1Very high89.3Confident114 Ų11485.5 Ų85.561%0.6143%0.432SS*.  trans-101.4139.7165.2-76.2-50.9000109.6K16D7-K16 IonicContact OD1-NZ 2.57Å; D7-K16 PolarHBondContact OD1-NZ 3.39Å
8P90.8Very high89.6Confident10 Ų1084.7 Ų84.77%0.06542%0.423CS..  trans-64.4145.917926.3-32.2000110.1N10 P11 S14 I149P8-N10 PolarHBondContact O-N 2.91Å; P8-P11 HydrophobicContact CG-CB 4.34Å; P8-P11 HydrophobicContact CG-CG 4.3Å; P8-S14 VanDerWaalsContact CB-OG 3.31Å; P8-S14 WeakPolarHBondContact CB-OG 3.24Å; P8-I149 HydrophobicContact CB-CG2 4.02Å; P8-I149 HydrophobicContact CG-CG2 4.45Å
9E87.3Confident89.9Confident185 Ų18580.7 Ų80.786%0.86441%0.406SS*.SBendtrans-56.9-41.6173.9-66.8-177.8173.400111.3
10N89.4Confident90.2Very high66 Ų6679.5 Ų79.535%0.35341%0.405SS..  trans-122.798.1175.5-167.3-15.3000112.1P8 T12 K13 S14P8-N10 PolarHBondContact O-N 2.91Å; N10-T12 VanDerWaalsContact C-N 3.26Å; N10-T12 PolarHBondContact O-N 2.95Å; N10-T12 PolarHBondContact OD1-N 3.36Å; N10-T12 PolarHBondContact OD1-OG1 2.94Å; N10-K13 HydrophobicContact CB-CB 4.34Å; N10-K13 PolarHBondContact O-N 3.24Å; N10-S14 WeakPolarHBondContact O-CB 3.27Å; N10-S14 PolarHBondContact O-N 3.38Å; N10-S14 PolarHBondContact O-OG 3.43Å
11P90.3Very high90.5Very high80 Ų8080.1 Ų80.152%0.51941%0.409SS..SBendtrans-62.2-25.2-178.5-24.533.8000115.5P8 K105P8-P11 HydrophobicContact CG-CB 4.34Å; P8-P11 HydrophobicContact CG-CG 4.3Å; P11-K105 PolarHBondContact O-NZ 3.09Å
12T91.5Very high92.1Very high104 Ų10470.1 Ų70.164%0.63836%0.36SS*.THydrogen-bonded Turntrans-75-41.7179.156.10000110.8N10 S14N10-T12 VanDerWaalsContact C-N 3.26Å; N10-T12 PolarHBondContact O-N 2.95Å; N10-T12 PolarHBondContact OD1-N 3.36Å; N10-T12 PolarHBondContact OD1-OG1 2.94Å; T12-S14 PolarHBondContact O-N 3.08Å
13K92.9Very high93Very high72 Ų7272.7 Ų72.731%0.31336%0.36SS..THydrogen-bonded Turntrans-82.812.7177.3-65.2-171.1177.9176.40114.8N10 T151 E152 E154N10-K13 HydrophobicContact CB-CB 4.34Å; N10-K13 PolarHBondContact O-N 3.24Å; K13-T151 WeakPolarHBondContact O-CA 3.33Å; K13-E152 HydrophobicContact CB-CB 4.48Å; K13-E152 PolarHBondContact O-N 2.83Å; K13-E154 IonicContact NZ-OE1 3.51Å; K13-E154 PolarHBondContact NZ-OE1 3.42Å
14S94Very high93.4Very high3 Ų362.1 Ų62.12%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-130.7142.5-173.2-53.50000112.6P8 N10 T12 K105 L150 T151P8-S14 VanDerWaalsContact CB-OG 3.31Å; P8-S14 WeakPolarHBondContact CB-OG 3.24Å; N10-S14 WeakPolarHBondContact O-CB 3.27Å; N10-S14 PolarHBondContact O-N 3.38Å; N10-S14 PolarHBondContact O-OG 3.43Å; T12-S14 PolarHBondContact O-N 3.08Å; S14-K105 PolarHBondContact O-NZ 2.84Å; S14-L150 CarbonylContact C-O 3.47Å; S14-L150 WeakPolarHBondContact CA-O 3.22Å; S14-T151 VanDerWaalsContact OG-CG2 3.26Å; S14-T151 WeakPolarHBondContact OG-CG2 3.46Å
15C94.6Very high93.6Very high0 Ų064 Ų640%033%0.332CS..EExtended strand (participates in β ladder)trans-114.7149169.578.70000111.1A98 N101 A102 L107 I149 L150C15-A98 PolarHBondContact SG-O 3.33Å; C15-A98 VanDerWaalsContact SG-O 3.32Å; C15-N101 HydrophobicContact CB-CB 4.26Å; C15-A102 HydrophobicContact CB-CB 4.23Å; C15-L107 HydrophobicContact CB-CD1 4.39Å; C15-I149 WeakPolarHBondContact O-CA 3.38Å; C15-L150 PolarHBondContact N-O 3.28Å; C15-L150 PolarHBondContact O-N 2.86Å
16K94.7Very high93.8Very high66 Ų6661.6 Ų61.629%0.28731%0.312SS..EExtended strand (participates in β ladder)trans-116.8144.3-179.5-62.6-172175.5-177.60109.6Y4 D7 N101 I149Y4-K16 HydrophobicContact CD1-CD 4.33Å; Y4-K16 HydrophobicContact CD2-CD 4.08Å; Y4-K16 HydrophobicContact CE1-CB 3.94Å; Y4-K16 HydrophobicContact CE1-CD 4.28Å; Y4-K16 HydrophobicContact CE1-CG 4.37Å; Y4-K16 HydrophobicContact CE2-CB 4.32Å; Y4-K16 HydrophobicContact CE2-CD 4.03Å; Y4-K16 HydrophobicContact CG-CD 4.25Å; D7-K16 IonicContact OD1-NZ 2.57Å; D7-K16 PolarHBondContact OD1-NZ 3.39Å; K16-N101 PolarHBondContact O-ND2 2.63Å; K16-I149 HydrophobicContact CG-CG1 4.27Å; K16-I149 HydrophobicContact CG-CG2 4.48Å
17S95.3Very high94.1Very high2 Ų262.7 Ų62.71%0.01431%0.314CS..EExtended strand (participates in β ladder)trans-143136.2173.9-178.70000110Y4 M94 N97 M148Y4-S17 VanDerWaalsContact OH-C 3.27Å; Y4-S17 PolarHBondContact OH-N 3.37Å; S17-M94 WeakPolarHBondContact OG-CE 3.31Å; S17-M94 PolarHBondContact OG-O 3.3Å; S17-N97 PolarHBondContact OG-ND2 3.23Å; S17-M148 PolarHBondContact N-O 3.23Å; S17-M148 PolarHBondContact O-N 2.79Å
18R95.5Very high94.4Very high71 Ų7159.2 Ų59.227%0.26830%0.295SS..EExtended strand (participates in β ladder)trans-139.2140.5-180-175.5178-173130.3-8.7113R3 Y4 S20 M94 I146 E147R3-R18 PolarHBondContact O-NH1 2.57Å; Y4-R18 HydrophobicContact CE1-CB 4.47Å; Y4-R18 WeakPolarHBondContact OH-CB 3.37Å; Y4-R18 PolarHBondContact OH-N 2.99Å; R18-S20 PolarHBondContact NE-OG 2.76Å; R18-M94 VanDerWaalsContact CA-CE 3.46Å; R18-I146 CarbonylContact C-O 3.53Å; R18-I146 WeakPolarHBondContact CA-O 3.42Å; R18-I146 WeakPolarHBondContact CG-O 2.94Å; R18-E147 HydrophobicContact CG-CB 4.33Å; R18-E147 IonicContact CZ-OE2 3.74Å; R18-E147 IonicContact NH1-OE2 2.85Å; R18-E147 PolarHBondContact NH1-OE2 3.33Å
19G95.3Very high94.8Very high9 Ų958.8 Ų58.89%0.09329%0.292CS..EExtended strand (participates in β ladder)trans-122.8128.2168.100000110.4H145 I146G19-H145 CarbonylContact O-C 3.04Å; G19-H145 WeakPolarHBondContact O-CA 3.23Å; G19-I146 PolarHBondContact N-O 3.14Å; G19-I146 PolarHBondContact O-N 3.27Å
20S95.5Very high95.3Very high56 Ų5651.5 Ų51.539%0.39226%0.257SS..EExtended strand (participates in β ladder)trans-114.9147.5-177.6-67.50000111.9R18 L22 H145R18-S20 PolarHBondContact NE-OG 2.76Å; S20-L22 PolarHBondContact O-N 3.23Å; S20-H145 WeakPolarHBondContact CA-ND1 3.39Å; S20-H145 WeakPolarHBondContact CB-ND1 3.47Å
21N95.1Very high95.7Very high93 Ų9348.5 Ų48.550%0.49724%0.241SC..EExtended strand (participates in β ladder)trans54.833.2179-61.6-41.3000113.5R23 H145N21-R23 PolarHBondContact O-N 3.46Å; N21-H145 PolarHBondContact N-CE1 2.96Å; N21-H145 PolarHBondContact N-ND1 3.24Å; N21-H145 PolarHBondContact OD1-CE1 2.95Å
22L96.2Very high96.1Very high30 Ų3044.7 Ų44.716%0.15722%0.216CC..EExtended strand (participates in β ladder)trans-69.5127.6-177.7-58.7176.2000109.9S20 V24 F90 P143 C144 I146S20-L22 PolarHBondContact O-N 3.23Å; L22-V24 HydrophobicContact CB-CG1 4.06Å; L22-V24 PolarHBondContact O-N 3.26Å; L22-F90 HydrophobicContact CB-CD1 4.26Å; L22-F90 HydrophobicContact CB-CE1 4.24Å; L22-F90 HydrophobicContact CD1-CD1 4.11Å; L22-F90 HydrophobicContact CD2-CD1 4.05Å; L22-F90 HydrophobicContact CD2-CE1 3.97Å; L22-F90 HydrophobicContact CG-CD1 4.37Å; L22-P143 VanDerWaalsContact O-CA 3.27Å; L22-P143 WeakPolarHBondContact O-CA 3.5Å; L22-P143 WeakPolarHBondContact O-CB 3.37Å; L22-C144 WeakPolarHBondContact CB-O 3.11Å; L22-C144 PolarHBondContact N-O 3.08Å; L22-C144 PolarHBondContact O-N 3.09Å; L22-C144 VanDerWaalsContact O-N 3.1Å; L22-I146 HydrophobicContact CD1-CB 4.26Å; L22-I146 HydrophobicContact CD1-CD1 3.47Å; L22-I146 VanDerWaalsContact CD1-CD1 3.47Å; L22-I146 HydrophobicContact CD1-CG1 3.81Å
23R95.9Very high96.4Very high146 Ų14639.8 Ų39.855%0.55119%0.186SC*.  trans-79.862.3179.9-163.3178.4179.2-168.30.1111.9N21 K86N21-R23 PolarHBondContact O-N 3.46Å; R23-K86 VanDerWaalsContact O-CE 3.29Å; R23-K86 WeakPolarHBondContact O-CE 3.44Å; R23-K86 PolarHBondContact O-NZ 2.91Å
24V97.1Very high96.6Very high6 Ų640.2 Ų40.24%0.03619%0.189CC..SBendtrans-132152.8176.6660000109.9L22 F26 T29 K86 S87 F90 S142 P143 C144L22-V24 HydrophobicContact CB-CG1 4.06Å; L22-V24 PolarHBondContact O-N 3.26Å; V24-F26 PolarHBondContact O-N 2.96Å; V24-F26 VanDerWaalsContact O-N 3.15Å; V24-T29 HydrophobicContact CG1-CG2 4.36Å; V24-T29 WeakPolarHBondContact CG1-OG1 3.19Å; V24-T29 WeakPolarHBondContact CG2-OG1 3.49Å; V24-K86 HydrophobicContact CG2-CB 4.46Å; V24-K86 HydrophobicContact CG2-CD 4.37Å; V24-K86 HydrophobicContact CG2-CG 4.06Å; V24-S87 WeakPolarHBondContact CG2-OG 3.37Å; V24-F90 HydrophobicContact CB-CD2 4.42Å; V24-S142 VanDerWaalsContact O-O 3.05Å; V24-P143 WeakPolarHBondContact O-CA 3.39Å; V24-C144 WeakPolarHBondContact CG1-SG 3.46Å
25H97.4Very high96.7Very high87 Ų8740.5 Ų40.540%0.40319%0.192SC..  trans-73108.2-173.1-172.1-101.9000111.4K27 N28 T29H25-K27 VanDerWaalsContact C-N 3.29Å; H25-K27 PolarHBondContact O-N 2.56Å; H25-K27 VanDerWaalsContact O-N 3.08Å; H25-N28 HydrophobicContact CB-CB 4.43Å; H25-N28 PolarHBondContact ND1-OD1 3.36Å; H25-N28 VanDerWaalsContact ND1-OD1 3.13Å; H25-N28 PolarHBondContact O-N 3.04Å; H25-T29 PolarHBondContact O-N 2.72Å; H25-T29 VanDerWaalsContact O-N 3.08Å; H25-T29 PolarHBondContact O-OG1 2.94Å; H25-T29 VanDerWaalsContact O-OG1 3.09Å
26F98.1Very high96.8Very high18 Ų1840.5 Ų40.58%0.07919%0.192CC..Hα-helixtrans-42.1-49.3-177165.8-102.1000114.7V24 N28 T29 R30 Y63 V119 K121 S142 C144V24-F26 PolarHBondContact O-N 2.96Å; V24-F26 VanDerWaalsContact O-N 3.15Å; F26-N28 VanDerWaalsContact C-N 3.32Å; F26-N28 PolarHBondContact O-N 2.97Å; F26-T29 PolarHBondContact O-N 3.28Å; F26-R30 WeakPolarHBondContact O-CB 3.49Å; F26-R30 PolarHBondContact O-N 3.35Å; F26-Y63 AromaticContact CE1-CE2 3.99Å; F26-Y63 HydrophobicContact CE1-CE2 3.99Å; F26-Y63 AromaticContact CE1-CZ 3.91Å; F26-Y63 WeakPolarHBondContact CE1-OH 3.21Å; F26-V119 HydrophobicContact CD2-CG1 3.88Å; F26-V119 HydrophobicContact CE2-CG1 4.1Å; F26-V119 WeakPolarHBondContact CE2-O 3.31Å; F26-K121 HydrophobicContact CD1-CD 4.48Å; F26-K121 HydrophobicContact CD1-CG 3.77Å; F26-K121 HydrophobicContact CD2-CB 4.49Å; F26-K121 HydrophobicContact CD2-CG 3.82Å; F26-K121 HydrophobicContact CE1-CD 4.26Å; F26-K121 HydrophobicContact CE1-CG 3.7Å; F26-K121 HydrophobicContact CE2-CG 3.78Å; F26-K121 HydrophobicContact CG-CG 3.83Å; F26-K121 HydrophobicContact CZ-CG 3.72Å; F26-S142 PolarHBondContact N-O 3.3Å; F26-C144 HydrophobicContact CB-CB 4.17Å; F26-C144 HydrophobicContact CD2-CB 4Å
27K98Very high96.9Very high98 Ų9842.2 Ų42.243%0.42620%0.199SC..Hα-helixtrans-63.6-39.9-175.8-63.4-177.3173.4-178.90111.9H25 E31 Y63H25-K27 VanDerWaalsContact C-N 3.29Å; H25-K27 PolarHBondContact O-N 2.56Å; H25-K27 VanDerWaalsContact O-N 3.08Å; K27-E31 PolarHBondContact O-N 3.16Å; K27-Y63 HydrophobicContact CB-CD1 4.35Å; K27-Y63 HydrophobicContact CB-CD2 3.61Å; K27-Y63 HydrophobicContact CB-CE2 4.2Å; K27-Y63 HydrophobicContact CB-CG 3.69Å; K27-Y63 HydrophobicContact CD-CD1 3.63Å; K27-Y63 HydrophobicContact CD-CD2 4.43Å; K27-Y63 HydrophobicContact CD-CE1 4.14Å; K27-Y63 HydrophobicContact CD-CG 3.79Å; K27-Y63 HydrophobicContact CG-CD1 3.81Å; K27-Y63 HydrophobicContact CG-CD2 3.79Å; K27-Y63 HydrophobicContact CG-CE1 4.05Å; K27-Y63 HydrophobicContact CG-CE2 4.03Å; K27-Y63 HydrophobicContact CG-CG 3.68Å
28N97.9Very high96.9Very high42 Ų4244.5 Ų44.523%0.22522%0.223CC..Hα-helixtrans-69.8-45.6-179.6-62.96.3000109.2H25 F26 R30 E31 T32 P84H25-N28 HydrophobicContact CB-CB 4.43Å; H25-N28 PolarHBondContact ND1-OD1 3.36Å; H25-N28 VanDerWaalsContact ND1-OD1 3.13Å; H25-N28 PolarHBondContact O-N 3.04Å; F26-N28 VanDerWaalsContact C-N 3.32Å; F26-N28 PolarHBondContact O-N 2.97Å; N28-R30 VanDerWaalsContact C-N 3.26Å; N28-R30 PolarHBondContact O-N 3.48Å; N28-E31 PolarHBondContact O-N 2.9Å; N28-E31 VanDerWaalsContact O-N 3.16Å; N28-T32 WeakPolarHBondContact O-CG2 3.26Å; N28-T32 PolarHBondContact O-N 3.28Å; N28-T32 PolarHBondContact O-OG1 2.71Å; N28-P84 HydrophobicContact CB-CB 3.94Å
29T98.3Very high96.9Very high0 Ų042.3 Ų42.30%022%0.216CC..Hα-helixtrans-62.6-34.6-179.9-45.70000112.3V24 H25 F26 T32 A33 S87 V119 I146V24-T29 HydrophobicContact CG1-CG2 4.36Å; V24-T29 WeakPolarHBondContact CG1-OG1 3.19Å; V24-T29 WeakPolarHBondContact CG2-OG1 3.49Å; H25-T29 PolarHBondContact O-N 2.72Å; H25-T29 VanDerWaalsContact O-N 3.08Å; H25-T29 PolarHBondContact O-OG1 2.94Å; H25-T29 VanDerWaalsContact O-OG1 3.09Å; F26-T29 PolarHBondContact O-N 3.28Å; T29-T32 VanDerWaalsContact CA-OG1 3.25Å; T29-T32 WeakPolarHBondContact CA-OG1 3.49Å; T29-T32 PolarHBondContact O-OG1 3.01Å; T29-A33 WeakPolarHBondContact O-CB 3.46Å; T29-A33 PolarHBondContact O-N 2.88Å; T29-S87 PolarHBondContact N-OG 2.81Å; T29-S87 PolarHBondContact OG1-OG 2.83Å; T29-V119 HydrophobicContact CG2-CG1 4.11Å; T29-V119 HydrophobicContact CG2-CG2 4.18Å; T29-I146 HydrophobicContact CG2-CD1 3.52Å; T29-I146 HydrophobicContact CG2-CG1 4.07Å
30R98.2Very high96.9Very high33 Ų3346.5 Ų46.513%0.12523%0.233CC..Hα-helixtrans-63-47.3173.4-177.6-89.4178.9-169-8.4111.9F26 N28 Q34 R62 Y63 V119F26-R30 WeakPolarHBondContact O-CB 3.49Å; F26-R30 PolarHBondContact O-N 3.35Å; N28-R30 VanDerWaalsContact C-N 3.26Å; N28-R30 PolarHBondContact O-N 3.48Å; R30-Q34 WeakPolarHBondContact O-CB 3.21Å; R30-Q34 VanDerWaalsContact O-CG 3.23Å; R30-Q34 WeakPolarHBondContact O-CG 3.41Å; R30-Q34 PolarHBondContact O-N 2.98Å; R30-R62 VanDerWaalsContact NH2-CZ 3.31Å; R30-Y63 HydrophobicContact CB-CE2 4.32Å; R30-Y63 HydrophobicContact CG-CE2 4.25Å; R30-V119 HydrophobicContact CB-CB 4.44Å
31E98.1Very high96.9Very high3 Ų343.8 Ų43.81%0.01421%0.214CC..Hα-helixtrans-66.5-40.9179.4-58.3-54.4138.800111.1K27 N28 Q34 A35 V58 F60 R61 R62 Y63K27-E31 PolarHBondContact O-N 3.16Å; N28-E31 PolarHBondContact O-N 2.9Å; N28-E31 VanDerWaalsContact O-N 3.16Å; E31-Q34 PolarHBondContact O-N 2.86Å; E31-A35 PolarHBondContact O-N 2.86Å; E31-A35 VanDerWaalsContact O-N 3.14Å; E31-V58 HydrophobicContact CB-CG1 4.29Å; E31-F60 HydrophobicContact CB-CD1 4.35Å; E31-F60 HydrophobicContact CB-CD2 4.43Å; E31-F60 HydrophobicContact CB-CE1 4.44Å; E31-F60 HydrophobicContact CB-CE2 4.48Å; E31-F60 HydrophobicContact CB-CG 4.35Å; E31-F60 HydrophobicContact CB-CZ 4.49Å; E31-F60 HydrophobicContact CG-CB 4.4Å; E31-F60 HydrophobicContact CG-CD1 3.76Å; E31-F60 HydrophobicContact CG-CE1 4.1Å; E31-F60 HydrophobicContact CG-CG 4.02Å; E31-R61 PolarHBondContact OE2-N 2.89Å; E31-R62 WeakPolarHBondContact OE1-CB 3.4Å; E31-R62 PolarHBondContact OE1-N 3.48Å; E31-R62 PolarHBondContact OE2-N 2.91Å; E31-Y63 WeakPolarHBondContact OE1-CD2 3.42Å; E31-Y63 PolarHBondContact OE1-N 3.2Å
32T97.9Very high96.9Very high0 Ų046.8 Ų46.80%022%0.219CC..Hα-helixtrans-64.3-42.6176.554.40000112.8N28 T29 A35 I36 V58 P84 L91N28-T32 WeakPolarHBondContact O-CG2 3.26Å; N28-T32 PolarHBondContact O-N 3.28Å; N28-T32 PolarHBondContact O-OG1 2.71Å; T29-T32 VanDerWaalsContact CA-OG1 3.25Å; T29-T32 WeakPolarHBondContact CA-OG1 3.49Å; T29-T32 PolarHBondContact O-OG1 3.01Å; T32-A35 PolarHBondContact O-N 3.05Å; T32-I36 PolarHBondContact O-N 3.05Å; T32-V58 HydrophobicContact CG2-CB 4.42Å; T32-V58 HydrophobicContact CG2-CG1 4.01Å; T32-V58 HydrophobicContact CG2-CG2 4.02Å; T32-P84 HydrophobicContact CG2-CB 4.11Å; T32-P84 HydrophobicContact CG2-CG 3.13Å; T32-L91 WeakPolarHBondContact OG1-CD1 3.42Å
33A97.7Very high96.9Very high1 Ų151.8 Ų51.81%0.00824%0.239CC..Hα-helixtrans-65.1-41.1179.300000111.5T29 A35 I36 K37 L91 I117 V119T29-A33 WeakPolarHBondContact O-CB 3.46Å; T29-A33 PolarHBondContact O-N 2.88Å; A33-A35 VanDerWaalsContact C-N 3.26Å; A33-A35 PolarHBondContact O-N 3.47Å; A33-I36 VanDerWaalsContact O-CG1 3.22Å; A33-I36 WeakPolarHBondContact O-CG1 3.42Å; A33-I36 PolarHBondContact O-N 3.33Å; A33-K37 PolarHBondContact O-N 3.18Å; A33-L91 HydrophobicContact CB-CD1 4.35Å; A33-I117 HydrophobicContact CB-CD1 3.62Å; A33-I117 HydrophobicContact CB-CG1 3.92Å; A33-I117 HydrophobicContact CB-CG2 4.46Å; A33-I117 VanDerWaalsContact O-CG2 3.3Å; A33-I117 WeakPolarHBondContact O-CG2 3.18Å; A33-V119 HydrophobicContact CB-CG2 3.48Å; A33-V119 VanDerWaalsContact CB-CG2 3.48Å
34Q97.3Very high96.9Very high81 Ų8144.8 Ų44.838%0.37921%0.213SC..Hα-helixtrans-67.3-28.4177.4-69.6-64.5-13.300112.7R30 E31 I36R30-Q34 WeakPolarHBondContact O-CB 3.21Å; R30-Q34 VanDerWaalsContact O-CG 3.23Å; R30-Q34 WeakPolarHBondContact O-CG 3.41Å; R30-Q34 PolarHBondContact O-N 2.98Å; E31-Q34 PolarHBondContact O-N 2.86Å; Q34-I36 VanDerWaalsContact C-N 3.31Å; Q34-I36 PolarHBondContact O-N 3.14Å
35A96.9Very high96.9Very high9 Ų945.7 Ų45.77%0.07422%0.218CC..Hα-helixtrans-69.1-27.9176.700000113.4E31 T32 A33 M39 Y47 V58 W76E31-A35 PolarHBondContact O-N 2.86Å; E31-A35 VanDerWaalsContact O-N 3.14Å; T32-A35 PolarHBondContact O-N 3.05Å; A33-A35 VanDerWaalsContact C-N 3.26Å; A33-A35 PolarHBondContact O-N 3.47Å; A35-M39 VanDerWaalsContact O-CE 3.29Å; A35-M39 WeakPolarHBondContact O-CE 3.26Å; A35-Y47 HydrophobicContact CB-CE1 4Å; A35-V58 HydrophobicContact CB-CG1 4.19Å; A35-W76 HydrophobicContact CB-CH2 4.41Å
36I97.3Very high97Very high0 Ų048.2 Ų48.20%023%0.228CC..Hα-helixtrans-97-5.7179.663.8174.6000113.7T32 A33 Q34 G38 M39 A44 Y47 L48 L91 I114 I117T32-I36 PolarHBondContact O-N 3.05Å; A33-I36 VanDerWaalsContact O-CG1 3.22Å; A33-I36 WeakPolarHBondContact O-CG1 3.42Å; A33-I36 PolarHBondContact O-N 3.33Å; Q34-I36 VanDerWaalsContact C-N 3.31Å; Q34-I36 PolarHBondContact O-N 3.14Å; I36-G38 PolarHBondContact O-N 3.49Å; I36-M39 WeakPolarHBondContact O-CB 3.36Å; I36-M39 PolarHBondContact O-N 3.29Å; I36-M39 VanDerWaalsContact O-N 3.16Å; I36-A44 HydrophobicContact CB-CB 4.18Å; I36-A44 HydrophobicContact CG2-CB 4.29Å; I36-Y47 HydrophobicContact CG2-CD1 3.7Å; I36-Y47 HydrophobicContact CG2-CE1 4.03Å; I36-L48 HydrophobicContact CD1-CD1 4.16Å; I36-L48 HydrophobicContact CG2-CD1 4.43Å; I36-L48 HydrophobicContact CG2-CD2 3.93Å; I36-L48 HydrophobicContact CG2-CG 4.05Å; I36-L91 HydrophobicContact CD1-CD1 4.13Å; I36-I114 HydrophobicContact CB-CD1 4.27Å; I36-I114 HydrophobicContact CD1-CD1 4.22Å; I36-I114 HydrophobicContact CG1-CD1 4.32Å; I36-I117 HydrophobicContact CD1-CD1 3.73Å; I36-I117 HydrophobicContact CG1-CD1 4Å
37K96.3Very high97Very high101 Ų10147.7 Ų47.744%0.43923%0.226SC..THydrogen-bonded Turntrans-60.6130.1179.2-172.7175.8178.1-177.70110.1A33 M39 E115 I117A33-K37 PolarHBondContact O-N 3.18Å; K37-M39 VanDerWaalsContact C-N 3.3Å; K37-M39 PolarHBondContact O-N 3.45Å; K37-E115 WeakPolarHBondContact CE-O 3.41Å; K37-I117 HydrophobicContact CB-CG2 3.72Å; K37-I117 HydrophobicContact CD-CG2 4.39Å; K37-I117 HydrophobicContact CG-CG2 3.99Å
38G94.4Very high97Very high50 Ų5043 Ų4352%0.51521%0.205SC..THydrogen-bonded Turntrans79.73-179.700000115.2I36 I114I36-G38 PolarHBondContact O-N 3.49Å; G38-I114 WeakPolarHBondContact CA-O 3.32Å; G38-I114 PolarHBondContact N-O 3.43Å
39M96.1Very high97Very high26 Ų2646.7 Ų46.713%0.12822%0.219CC..  trans-82.7150.9175.4-67.9-169.2172.800112A35 I36 K37 K43 A44 W76 I114A35-M39 VanDerWaalsContact O-CE 3.29Å; A35-M39 WeakPolarHBondContact O-CE 3.26Å; I36-M39 WeakPolarHBondContact O-CB 3.36Å; I36-M39 PolarHBondContact O-N 3.29Å; I36-M39 VanDerWaalsContact O-N 3.16Å; K37-M39 VanDerWaalsContact C-N 3.3Å; K37-M39 PolarHBondContact O-N 3.45Å; M39-K43 HydrophobicContact SD-CG 4.31Å; M39-A44 HydrophobicContact CB-CB 4.07Å; M39-A44 HydrophobicContact SD-CB 4.47Å; M39-W76 HydrophobicContact CE-CH2 3.52Å; M39-W76 HydrophobicContact CE-CZ2 4.42Å; M39-W76 HydrophobicContact CE-CZ3 4.27Å; M39-I114 PolarHBondContact O-N 3.4Å
40H95.8Very high96.9Very high96 Ų9647.9 Ų47.944%0.44423%0.226SC..BIsolated β-bridgetrans-61.2144.5160.5-73.1-82.5000110.6R42 K43 A44 L112 V113H40-R42 PolarHBondContact O-N 2.59Å; H40-K43 HydrophobicContact CB-CB 4.46Å; H40-K43 WeakPolarHBondContact O-CB 3.33Å; H40-K43 PolarHBondContact O-N 3.09Å; H40-K43 VanDerWaalsContact O-N 3.08Å; H40-A44 PolarHBondContact O-N 2.88Å; H40-L112 WeakPolarHBondContact CA-O 3.45Å; H40-V113 VanDerWaalsContact CE1-CG2 3.41Å; H40-V113 WeakPolarHBondContact CE1-CG2 3.41Å; H40-V113 WeakPolarHBondContact ND1-CG2 3.35Å
41I94.6Very high96.9Very high0 Ų046.3 Ų46.30%022%0.22CC..Hα-helixtrans-57.9-45-172.8-161166.6000113K43 A44 T45 L95 E99 V109 L112 L150I41-K43 VanDerWaalsContact C-N 3.33Å; I41-K43 PolarHBondContact O-N 2.85Å; I41-A44 PolarHBondContact O-N 2.93Å; I41-T45 WeakPolarHBondContact O-CB 3.47Å; I41-T45 PolarHBondContact O-N 2.93Å; I41-T45 PolarHBondContact O-OG1 3.22Å; I41-T45 VanDerWaalsContact O-OG1 3.12Å; I41-L95 HydrophobicContact CG1-CD2 4.43Å; I41-E99 HydrophobicContact CD1-CG 3.29Å; I41-E99 HydrophobicContact CG1-CG 4.24Å; I41-V109 VanDerWaalsContact CG2-O 3.27Å; I41-V109 WeakPolarHBondContact CG2-O 3.42Å; I41-L112 HydrophobicContact CB-CB 4.33Å; I41-L112 HydrophobicContact CD1-CD1 4.21Å; I41-L112 HydrophobicContact CG2-CB 4.17Å; I41-L112 PolarHBondContact N-O 3.41Å; I41-L150 HydrophobicContact CB-CD2 4.48Å; I41-L150 HydrophobicContact CD1-CD2 3.43Å; I41-L150 VanDerWaalsContact CD1-CD2 3.43Å; I41-L150 HydrophobicContact CG1-CD2 4.08Å
42R94.8Very high96.9Very high156 Ų15647.7 Ų47.759%0.58923%0.228SC*.Hα-helixtrans-59.7-41.8177.1-70.4-179.3168.7-174.5-8.6112.3H40 K46 D110H40-R42 PolarHBondContact O-N 2.59Å; R42-K46 WeakPolarHBondContact O-CB 3.49Å; R42-K46 PolarHBondContact O-N 3.32Å; R42-D110 IonicContact CZ-OD1 2.84Å; R42-D110 IonicContact CZ-OD2 3.04Å; R42-D110 IonicContact NE-OD1 2.93Å; R42-D110 PolarHBondContact NE-OD1 3.25Å; R42-D110 IonicContact NE-OD2 3.88Å; R42-D110 IonicContact NH1-OD1 3.68Å; R42-D110 IonicContact NH1-OD2 3.16Å; R42-D110 PolarHBondContact NH1-OD2 3.26Å; R42-D110 VanDerWaalsContact NH1-OD2 3.16Å; R42-D110 IonicContact NH2-OD1 2.62Å; R42-D110 PolarHBondContact NH2-OD1 3.37Å; R42-D110 IonicContact NH2-OD2 2.69Å; R42-D110 PolarHBondContact NH2-OD2 3.09Å
43K96.3Very high96.9Very high134 Ų13453 Ų5358%0.58326%0.256SS*.Hα-helixtrans-67.4-43.9177.4-175.2177.6-179.8176.70111.1M39 H40 I41 K46 Y47M39-K43 HydrophobicContact SD-CG 4.31Å; H40-K43 HydrophobicContact CB-CB 4.46Å; H40-K43 WeakPolarHBondContact O-CB 3.33Å; H40-K43 PolarHBondContact O-N 3.09Å; H40-K43 VanDerWaalsContact O-N 3.08Å; I41-K43 VanDerWaalsContact C-N 3.33Å; I41-K43 PolarHBondContact O-N 2.85Å; K43-K46 PolarHBondContact O-N 3.13Å; K43-Y47 VanDerWaalsContact O-CB 3.3Å; K43-Y47 WeakPolarHBondContact O-CB 3.43Å; K43-Y47 PolarHBondContact O-N 3.46Å
44A97.1Very high96.8Very high0 Ų059 Ų590%028%0.284CS..Hα-helixtrans-62-46.2176.700000111.6I36 M39 H40 I41 K46 Y47 L48 L95 I114I36-A44 HydrophobicContact CB-CB 4.18Å; I36-A44 HydrophobicContact CG2-CB 4.29Å; M39-A44 HydrophobicContact CB-CB 4.07Å; M39-A44 HydrophobicContact SD-CB 4.47Å; H40-A44 PolarHBondContact O-N 2.88Å; I41-A44 PolarHBondContact O-N 2.93Å; A44-K46 PolarHBondContact O-N 3.04Å; A44-Y47 PolarHBondContact O-N 3.38Å; A44-L48 WeakPolarHBondContact O-CG 3.42Å; A44-L48 PolarHBondContact O-N 3.35Å; A44-L95 HydrophobicContact CB-CD1 4.12Å; A44-I114 HydrophobicContact CB-CD1 3.64Å
45T97.3Very high96.8Very high24 Ų2461.7 Ų61.715%0.14729%0.294CS..Hα-helixtrans-61.6-44.8177.6-64.80000111.5I41 K49 L92I41-T45 WeakPolarHBondContact O-CB 3.47Å; I41-T45 PolarHBondContact O-N 2.93Å; I41-T45 PolarHBondContact O-OG1 3.22Å; I41-T45 VanDerWaalsContact O-OG1 3.12Å; T45-K49 HydrophobicContact CG2-CD 4.39Å; T45-K49 WeakPolarHBondContact O-CG 3.47Å; T45-K49 PolarHBondContact O-N 2.83Å; T45-K49 VanDerWaalsContact O-N 3.09Å; T45-L92 HydrophobicContact CG2-CD2 3.91Å
46K98Very high96.7Very high141 Ų14163.5 Ų63.561%0.61330%0.301SS*.Hα-helixtrans-61-48.5174.4-176.6176179.6177.80111.6R42 K43 A44 L48 K49 D50R42-K46 WeakPolarHBondContact O-CB 3.49Å; R42-K46 PolarHBondContact O-N 3.32Å; K43-K46 PolarHBondContact O-N 3.13Å; A44-K46 PolarHBondContact O-N 3.04Å; K46-L48 PolarHBondContact O-N 3.06Å; K46-K49 PolarHBondContact O-N 2.98Å; K46-D50 PolarHBondContact O-N 3.25Å
47Y98Very high96.7Very high7 Ų763.6 Ų63.63%0.02730%0.302CS..Hα-helixtrans-58.1-47179171.5-109.4000112.4A35 I36 K43 A44 K49 D50 V51 Q56 C57 V58 W76A35-Y47 HydrophobicContact CB-CE1 4Å; I36-Y47 HydrophobicContact CG2-CD1 3.7Å; I36-Y47 HydrophobicContact CG2-CE1 4.03Å; K43-Y47 VanDerWaalsContact O-CB 3.3Å; K43-Y47 WeakPolarHBondContact O-CB 3.43Å; K43-Y47 PolarHBondContact O-N 3.46Å; A44-Y47 PolarHBondContact O-N 3.38Å; Y47-K49 VanDerWaalsContact C-N 3.33Å; Y47-K49 PolarHBondContact O-N 2.97Å; Y47-D50 WeakPolarHBondContact O-CB 3.29Å; Y47-D50 PolarHBondContact O-N 3.03Å; Y47-D50 VanDerWaalsContact O-N 3.14Å; Y47-V51 HydrophobicContact CD1-CG2 4.43Å; Y47-V51 HydrophobicContact CD2-CG2 4.36Å; Y47-V51 HydrophobicContact CE1-CG2 4.08Å; Y47-V51 HydrophobicContact CE2-CG2 3.97Å; Y47-V51 WeakPolarHBondContact O-CG2 3.4Å; Y47-V51 PolarHBondContact O-N 2.98Å; Y47-Q56 HydrophobicContact CD2-CB 4.16Å; Y47-Q56 VanDerWaalsContact CD2-OE1 3.28Å; Y47-Q56 HydrophobicContact CE2-CB 3.98Å; Y47-C57 PolarHBondContact OH-O 3.48Å; Y47-C57 VanDerWaalsContact OH-O 3.07Å; Y47-V58 HydrophobicContact CE1-CG2 4.46Å; Y47-V58 WeakPolarHBondContact OH-CA 3.3Å; Y47-W76 HydrophobicContact CD2-CZ2 4.42Å; Y47-W76 HydrophobicContact CE1-CZ2 4.42Å; Y47-W76 AromaticContact CE2-CZ2 3.64Å; Y47-W76 HydrophobicContact CE2-CZ2 3.64Å; Y47-W76 AromaticContact CZ-CZ2 3.6Å; Y47-W76 WeakPolarHBondContact OH-CZ2 3.44Å
48L97.8Very high96.8Very high0 Ų058.8 Ų58.80%028%0.281CS..Hα-helixtrans-65.6-35.5179.3-68.4176.1000112.4I36 A44 K46 V51 T52 A88 L91 L92 L95I36-L48 HydrophobicContact CD1-CD1 4.16Å; I36-L48 HydrophobicContact CG2-CD1 4.43Å; I36-L48 HydrophobicContact CG2-CD2 3.93Å; I36-L48 HydrophobicContact CG2-CG 4.05Å; A44-L48 WeakPolarHBondContact O-CG 3.42Å; A44-L48 PolarHBondContact O-N 3.35Å; K46-L48 PolarHBondContact O-N 3.06Å; L48-V51 PolarHBondContact O-N 3.08Å; L48-T52 WeakPolarHBondContact O-CG2 3.4Å; L48-T52 PolarHBondContact O-N 2.88Å; L48-T52 VanDerWaalsContact O-N 3.14Å; L48-A88 HydrophobicContact CB-CB 4.47Å; L48-A88 HydrophobicContact CD2-CB 4.14Å; L48-L91 HydrophobicContact CD1-CB 3.75Å; L48-L91 HydrophobicContact CD2-CD1 4.47Å; L48-L92 HydrophobicContact CB-CD1 4.16Å; L48-L92 HydrophobicContact CB-CD2 3.73Å; L48-L92 HydrophobicContact CB-CG 3.74Å; L48-L92 HydrophobicContact CD1-CD2 4.14Å; L48-L92 HydrophobicContact CD1-CG 4.08Å; L48-L95 HydrophobicContact CD1-CD1 3.74Å
49K98.1Very high96.9Very high119 Ų11956.6 Ų56.652%0.51726%0.258SS..Hα-helixtrans-65.2-38.7171-72.3175.3-179.4178.80111.9T45 K46 Y47 V51 T52 L53 L92T45-K49 HydrophobicContact CG2-CD 4.39Å; T45-K49 WeakPolarHBondContact O-CG 3.47Å; T45-K49 PolarHBondContact O-N 2.83Å; T45-K49 VanDerWaalsContact O-N 3.09Å; K46-K49 PolarHBondContact O-N 2.98Å; Y47-K49 VanDerWaalsContact C-N 3.33Å; Y47-K49 PolarHBondContact O-N 2.97Å; K49-V51 VanDerWaalsContact C-N 3.3Å; K49-V51 PolarHBondContact O-N 2.96Å; K49-T52 PolarHBondContact O-N 2.81Å; K49-T52 PolarHBondContact O-OG1 3.09Å; K49-L53 WeakPolarHBondContact O-CG 3.23Å; K49-L53 PolarHBondContact O-N 3.18Å; K49-L92 HydrophobicContact CG-CD1 4.12Å; K49-L92 HydrophobicContact CG-CD2 4.24Å
50D98Very high97Very high25 Ų2555.5 Ų55.513%0.13425%0.252CS..Hα-helixtrans-67.1-33.4175.2-74.5-17.6000112K46 Y47 L53 Q54 K55 Q56K46-D50 PolarHBondContact O-N 3.25Å; Y47-D50 WeakPolarHBondContact O-CB 3.29Å; Y47-D50 PolarHBondContact O-N 3.03Å; Y47-D50 VanDerWaalsContact O-N 3.14Å; D50-L53 CarbonylContact O-C 3.57Å; D50-L53 PolarHBondContact O-N 3.44Å; D50-Q54 PolarHBondContact O-N 3.36Å; D50-K55 HydrophobicContact CB-CB 4.13Å; D50-K55 PolarHBondContact O-N 3.23Å; D50-Q56 HydrophobicContact CB-CB 4.11Å; D50-Q56 HydrophobicContact CB-CG 3.96Å; D50-Q56 PolarHBondContact O-N 3.29Å; D50-Q56 PolarHBondContact OD2-NE2 3.38Å
51V97.8Very high97Very high0 Ų057.6 Ų57.60%026%0.256CS..Hα-helixtrans-65.2-40.5174.1170.90000111.6Y47 L48 K49 L53 Q54 Q56 V58 A88Y47-V51 HydrophobicContact CD1-CG2 4.43Å; Y47-V51 HydrophobicContact CD2-CG2 4.36Å; Y47-V51 HydrophobicContact CE1-CG2 4.08Å; Y47-V51 HydrophobicContact CE2-CG2 3.97Å; Y47-V51 WeakPolarHBondContact O-CG2 3.4Å; Y47-V51 PolarHBondContact O-N 2.98Å; L48-V51 PolarHBondContact O-N 3.08Å; K49-V51 VanDerWaalsContact C-N 3.3Å; K49-V51 PolarHBondContact O-N 2.96Å; V51-L53 VanDerWaalsContact C-N 3.26Å; V51-L53 PolarHBondContact O-N 3.37Å; V51-Q54 PolarHBondContact O-N 3.28Å; V51-Q54 VanDerWaalsContact O-N 3.16Å; V51-Q56 WeakPolarHBondContact CA-O 3.48Å; V51-Q56 VanDerWaalsContact CG2-O 3.31Å; V51-Q56 WeakPolarHBondContact CG2-O 3.43Å; V51-V58 HydrophobicContact CB-CG2 4.41Å; V51-V58 HydrophobicContact CG1-CG2 3.79Å; V51-V58 HydrophobicContact CG2-CG2 3.66Å; V51-A88 HydrophobicContact CB-CB 4.46Å; V51-A88 HydrophobicContact CG1-CB 4.1Å
52T97.3Very high97.1Very high32 Ų3265 Ų6520%0.19628%0.284CS..Hα-helixtrans-67.1-30.4177.459.20000112.1L48 K49 Q54 K85 A88 E89L48-T52 WeakPolarHBondContact O-CG2 3.4Å; L48-T52 PolarHBondContact O-N 2.88Å; L48-T52 VanDerWaalsContact O-N 3.14Å; K49-T52 PolarHBondContact O-N 2.81Å; K49-T52 PolarHBondContact O-OG1 3.09Å; T52-Q54 VanDerWaalsContact C-N 3.34Å; T52-K85 HydrophobicContact CG2-CG 4.28Å; T52-A88 HydrophobicContact CG2-CB 3.85Å; T52-E89 HydrophobicContact CG2-CG 4.14Å
53L97.5Very high97.2Very high111 Ų11160.5 Ų60.558%0.58127%0.268SS*.THydrogen-bonded Turntrans-872.5174.3-61.8177.4000114K49 D50 V51 K55K49-L53 WeakPolarHBondContact O-CG 3.23Å; K49-L53 PolarHBondContact O-N 3.18Å; D50-L53 CarbonylContact O-C 3.57Å; D50-L53 PolarHBondContact O-N 3.44Å; V51-L53 VanDerWaalsContact C-N 3.26Å; V51-L53 PolarHBondContact O-N 3.37Å; L53-K55 HydrophobicContact CB-CD 4.39Å; L53-K55 HydrophobicContact CB-CG 4.16Å; L53-K55 PolarHBondContact O-N 3.14Å
54Q96.3Very high97.1Very high126 Ų12656.3 Ų56.359%0.58925%0.252SS*.THydrogen-bonded Turntrans61.617.7-178.5-51.7-179.511.900115.9D50 V51 T52 Q72 W83D50-Q54 PolarHBondContact O-N 3.36Å; V51-Q54 PolarHBondContact O-N 3.28Å; V51-Q54 VanDerWaalsContact O-N 3.16Å; T52-Q54 VanDerWaalsContact C-N 3.34Å; Q54-Q72 PolarHBondContact O-NE2 2.87Å; Q54-W83 VanDerWaalsContact CA-CD1 3.44Å; Q54-W83 HydrophobicContact CB-CD2 4.25Å; Q54-W83 HydrophobicContact CB-CG 4.04Å; Q54-W83 HydrophobicContact CG-CB 4.02Å; Q54-W83 HydrophobicContact CG-CD2 4.33Å; Q54-W83 HydrophobicContact CG-CG 3.93Å; Q54-W83 PolarHBondContact O-NE1 2.98Å
55K96.6Very high97.1Very high138 Ų13859.9 Ų59.960%0.629%0.288SS*.SBendtrans-76.4-33.3177.3-65.2-177.6178.9-1790112.5D50 L53 Q72D50-K55 HydrophobicContact CB-CB 4.13Å; D50-K55 PolarHBondContact O-N 3.23Å; L53-K55 HydrophobicContact CB-CD 4.39Å; L53-K55 HydrophobicContact CB-CG 4.16Å; L53-K55 PolarHBondContact O-N 3.14Å; K55-Q72 PolarHBondContact O-NE2 2.95Å
56Q96.1Very high96.9Very high48 Ų4862.3 Ų62.322%0.22432%0.318CS..SBendtrans-129.4138.3176.3-64.5-169.544.300110.3Y47 D50 V51 W83Y47-Q56 HydrophobicContact CD2-CB 4.16Å; Y47-Q56 VanDerWaalsContact CD2-OE1 3.28Å; Y47-Q56 HydrophobicContact CE2-CB 3.98Å; D50-Q56 HydrophobicContact CB-CB 4.11Å; D50-Q56 HydrophobicContact CB-CG 3.96Å; D50-Q56 PolarHBondContact O-N 3.29Å; D50-Q56 PolarHBondContact OD2-NE2 3.38Å; V51-Q56 WeakPolarHBondContact CA-O 3.48Å; V51-Q56 VanDerWaalsContact CG2-O 3.31Å; V51-Q56 WeakPolarHBondContact CG2-O 3.43Å; Q56-W83 PolarHBondContact O-NE1 3.04Å
57C97.2Very high96.8Very high1 Ų156 Ų561%0.00729%0.291CS..PPolyproline II helixtrans-94.5153.8-179.582.30000111.3Y47 Q72 A73 W76 W83Y47-C57 PolarHBondContact OH-O 3.48Å; Y47-C57 VanDerWaalsContact OH-O 3.07Å; C57-Q72 HydrophobicContact CB-CB 3.88Å; C57-A73 VanDerWaalsContact SG-CA 3.59Å; C57-A73 PolarHBondContact SG-N 3.12Å; C57-W76 PolarHBondContact O-NE1 2.85Å; C57-W83 HydrophobicContact CB-CZ2 4.14Å
58V97.7Very high96.7Very high0 Ų057.9 Ų57.90%031%0.313CS..EExtended strand (participates in β ladder)trans-89126.9168.21790000109.3E31 T32 A35 Y47 V51 F60 G81 R82 P84E31-V58 HydrophobicContact CB-CG1 4.29Å; T32-V58 HydrophobicContact CG2-CB 4.42Å; T32-V58 HydrophobicContact CG2-CG1 4.01Å; T32-V58 HydrophobicContact CG2-CG2 4.02Å; A35-V58 HydrophobicContact CB-CG1 4.19Å; Y47-V58 HydrophobicContact CE1-CG2 4.46Å; Y47-V58 WeakPolarHBondContact OH-CA 3.3Å; V51-V58 HydrophobicContact CB-CG2 4.41Å; V51-V58 HydrophobicContact CG1-CG2 3.79Å; V51-V58 HydrophobicContact CG2-CG2 3.66Å; V58-F60 HydrophobicContact CB-CE2 4.34Å; V58-F60 HydrophobicContact CG1-CE2 4.35Å; V58-F60 VanDerWaalsContact O-CD2 3.32Å; V58-F60 WeakPolarHBondContact O-CD2 3.22Å; V58-F60 PolarHBondContact O-N 3.27Å; V58-G81 WeakPolarHBondContact O-CA 3.13Å; V58-R82 PolarHBondContact N-O 3.43Å; V58-R82 PolarHBondContact O-N 3.07Å; V58-R82 VanDerWaalsContact O-N 3.08Å; V58-P84 HydrophobicContact CB-CG 4.35Å; V58-P84 HydrophobicContact CG2-CG 4.23Å
59P97.7Very high96.6Very high5 Ų568.2 Ų68.23%0.03235%0.352CS..EExtended strand (participates in β ladder)trans-70.8128.3175.429.9-34.7000110W76P59-W76 HydrophobicContact CB-CB 3.98Å; P59-W76 HydrophobicContact CB-CG 4.05Å; P59-W76 HydrophobicContact CG-CB 4.05Å; P59-W76 HydrophobicContact CG-CD2 3.81Å; P59-W76 HydrophobicContact CG-CE3 4.24Å; P59-W76 HydrophobicContact CG-CG 3.71Å
60F97.6Very high96.4Very high2 Ų263.8 Ų63.81%0.00934%0.335CS..  trans-97.2109.7174.7-82.5-117.5000108.4E31 V58 Y63 N64 V67 W78 Q80 R82 P84E31-F60 HydrophobicContact CB-CD1 4.35Å; E31-F60 HydrophobicContact CB-CD2 4.43Å; E31-F60 HydrophobicContact CB-CE1 4.44Å; E31-F60 HydrophobicContact CB-CE2 4.48Å; E31-F60 HydrophobicContact CB-CG 4.35Å; E31-F60 HydrophobicContact CB-CZ 4.49Å; E31-F60 HydrophobicContact CG-CB 4.4Å; E31-F60 HydrophobicContact CG-CD1 3.76Å; E31-F60 HydrophobicContact CG-CE1 4.1Å; E31-F60 HydrophobicContact CG-CG 4.02Å; V58-F60 HydrophobicContact CB-CE2 4.34Å; V58-F60 HydrophobicContact CG1-CE2 4.35Å; V58-F60 VanDerWaalsContact O-CD2 3.32Å; V58-F60 WeakPolarHBondContact O-CD2 3.22Å; V58-F60 PolarHBondContact O-N 3.27Å; F60-Y63 WeakPolarHBondContact CD1-O 3.48Å; F60-N64 HydrophobicContact CB-CB 4.16Å; F60-N64 WeakPolarHBondContact O-CB 3.18Å; F60-V67 HydrophobicContact CB-CG1 4.33Å; F60-V67 HydrophobicContact CB-CG2 4.37Å; F60-V67 HydrophobicContact CD1-CG2 4.14Å; F60-V67 HydrophobicContact CG-CG1 4.47Å; F60-V67 HydrophobicContact CG-CG2 4.38Å; F60-W78 PolarHBondContact O-NE1 3.04Å; F60-Q80 PolarHBondContact N-O 3.28Å; F60-Q80 VanDerWaalsContact N-O 3.1Å; F60-R82 HydrophobicContact CD2-CB 4.14Å; F60-R82 HydrophobicContact CD2-CG 4.37Å; F60-R82 HydrophobicContact CE2-CB 3.59Å; F60-R82 HydrophobicContact CE2-CG 4.18Å; F60-R82 HydrophobicContact CZ-CB 4.04Å; F60-R82 HydrophobicContact CZ-CG 4.47Å; F60-P84 HydrophobicContact CE2-CG 4.34Å; F60-P84 HydrophobicContact CZ-CG 4.28Å
61R95.1Very high96.3Very high140 Ų14066.2 Ų66.253%0.52836%0.359SS..SBendtrans-101.5-53.9-175.4-65.6-178174.5-178.7-1.4112.9E31E31-R61 PolarHBondContact OE2-N 2.89Å
62R96.4Very high96.3Very high157 Ų15769.3 Ų69.359%0.59237%0.373SS*.SBendtrans-88.9-43.6-176.6-177.6-177.6-70.9178-2.3112.1R30 E31R30-R62 VanDerWaalsContact NH2-CZ 3.31Å; E31-R62 WeakPolarHBondContact OE1-CB 3.4Å; E31-R62 PolarHBondContact OE1-N 3.48Å; E31-R62 PolarHBondContact OE2-N 2.91Å
63Y96.8Very high96.2Very high61 Ų6167.8 Ų67.824%0.23936%0.364CS..SBendtrans-10357.6-177-61.5-61.9000112F26 K27 R30 E31 F60F26-Y63 AromaticContact CE1-CE2 3.99Å; F26-Y63 HydrophobicContact CE1-CE2 3.99Å; F26-Y63 AromaticContact CE1-CZ 3.91Å; F26-Y63 WeakPolarHBondContact CE1-OH 3.21Å; K27-Y63 HydrophobicContact CB-CD1 4.35Å; K27-Y63 HydrophobicContact CB-CD2 3.61Å; K27-Y63 HydrophobicContact CB-CE2 4.2Å; K27-Y63 HydrophobicContact CB-CG 3.69Å; K27-Y63 HydrophobicContact CD-CD1 3.63Å; K27-Y63 HydrophobicContact CD-CD2 4.43Å; K27-Y63 HydrophobicContact CD-CE1 4.14Å; K27-Y63 HydrophobicContact CD-CG 3.79Å; K27-Y63 HydrophobicContact CG-CD1 3.81Å; K27-Y63 HydrophobicContact CG-CD2 3.79Å; K27-Y63 HydrophobicContact CG-CE1 4.05Å; K27-Y63 HydrophobicContact CG-CE2 4.03Å; K27-Y63 HydrophobicContact CG-CG 3.68Å; R30-Y63 HydrophobicContact CB-CE2 4.32Å; R30-Y63 HydrophobicContact CG-CE2 4.25Å; E31-Y63 WeakPolarHBondContact OE1-CD2 3.42Å; E31-Y63 PolarHBondContact OE1-N 3.2Å; F60-Y63 WeakPolarHBondContact CD1-O 3.48Å
64N95.5Very high96.1Very high46 Ų4670.5 Ų70.525%0.24637%0.371CS..  trans-103.36.2-171.966.5-25.8000115.4F60 G66 V67 Q80F60-N64 HydrophobicContact CB-CB 4.16Å; F60-N64 WeakPolarHBondContact O-CB 3.18Å; N64-G66 PolarHBondContact O-N 3.32Å; N64-V67 WeakPolarHBondContact O-CB 3.39Å; N64-V67 WeakPolarHBondContact O-CG2 3.34Å; N64-V67 PolarHBondContact O-N 3.08Å; N64-V67 VanDerWaalsContact O-N 3.08Å; N64-Q80 PolarHBondContact ND2-OE1 3.26Å; N64-Q80 PolarHBondContact O-NE2 3.17Å
65G95.7Very high96Very high74 Ų7471 Ų7176%0.76337%0.373SS*.THydrogen-bonded Turntrans-59.3121.1176.200000112.3V67G65-V67 VanDerWaalsContact C-N 3.26Å; G65-V67 PolarHBondContact O-N 3.35Å
66G93.4Very high95.8Very high75 Ų7566.8 Ų66.877%0.77335%0.354SS*.THydrogen-bonded Turntrans68.818.6-177.400000114.6N64 R82N64-G66 PolarHBondContact O-N 3.32Å; G66-R82 PolarHBondContact O-NH2 3.45Å
67V96.2Very high95.8Very high10 Ų1067.9 Ų67.96%0.06138%0.377CS..PPolyproline II helixtrans-85.1130.1174.2179.60000110F60 N64 G65 Q80 R82F60-V67 HydrophobicContact CB-CG1 4.33Å; F60-V67 HydrophobicContact CB-CG2 4.37Å; F60-V67 HydrophobicContact CD1-CG2 4.14Å; F60-V67 HydrophobicContact CG-CG1 4.47Å; F60-V67 HydrophobicContact CG-CG2 4.38Å; N64-V67 WeakPolarHBondContact O-CB 3.39Å; N64-V67 WeakPolarHBondContact O-CG2 3.34Å; N64-V67 PolarHBondContact O-N 3.08Å; N64-V67 VanDerWaalsContact O-N 3.08Å; G65-V67 VanDerWaalsContact C-N 3.26Å; G65-V67 PolarHBondContact O-N 3.35Å; V67-Q80 HydrophobicContact CB-CB 4.37Å; V67-Q80 HydrophobicContact CG1-CB 4.01Å; V67-Q80 PolarHBondContact O-NE2 3.47Å; V67-R82 HydrophobicContact CG1-CG 3.7Å
68G95.5Very high95.7Very high46 Ų4672.3 Ų72.347%0.47439%0.394SS..PPolyproline II helixtrans-65.7157.5175.800000112.7
69R96.6Very high95.6Very high217 Ų21776 Ų7682%0.81942%0.417SS*.BIsolated β-bridgetrans-81.6143.9173.5-64179.4-178175.10.7109.8T79 Q80R69-T79 CarbonylContact C-O 3.58Å; R69-T79 VanDerWaalsContact CA-O 3.22Å; R69-T79 WeakPolarHBondContact CA-O 3.36Å; R69-Q80 HydrophobicContact CG-CG 4.34Å
70C94.3Very high95.5Very high25 Ų2577.6 Ų77.617%0.16942%0.424CS..  trans-137136.2179.7-177.50000109.9Q72 A73 T79C70-Q72 PolarHBondContact O-N 2.88Å; C70-A73 WeakPolarHBondContact O-CB 3.42Å; C70-A73 PolarHBondContact O-N 2.69Å; C70-A73 VanDerWaalsContact O-N 3.12Å; C70-T79 PolarHBondContact N-O 3.34Å
71A96.3Very high95.5Very high76 Ų7677.8 Ų77.863%0.62843%0.426SS*.G310 helixtrans-61-33.4177.500000112.7A73 K74A71-A73 PolarHBondContact O-N 3.16Å; A71-K74 VanDerWaalsContact O-CB 3.31Å; A71-K74 WeakPolarHBondContact O-CB 3.27Å; A71-K74 VanDerWaalsContact O-CG 3.29Å; A71-K74 WeakPolarHBondContact O-CG 3.28Å; A71-K74 PolarHBondContact O-N 2.62Å; A71-K74 VanDerWaalsContact O-N 3.16Å
72Q96.1Very high95.6Very high65 Ų6576.2 Ų76.230%0.30442%0.42SS..G310 helixtrans-63.4-22.7178-62.91771.600112.6Q54 K55 C57 C70 K74 Q75 W83Q54-Q72 PolarHBondContact O-NE2 2.87Å; K55-Q72 PolarHBondContact O-NE2 2.95Å; C57-Q72 HydrophobicContact CB-CB 3.88Å; C70-Q72 PolarHBondContact O-N 2.88Å; Q72-K74 PolarHBondContact O-N 2.93Å; Q72-Q75 PolarHBondContact O-N 2.85Å; Q72-W83 VanDerWaalsContact OE1-CZ2 3.27Å
73A95.4Very high95.7Very high0 Ų073 Ų730%041%0.408CS..G310 helixtrans-68.6-18178.900000112.6C57 C70 A71 Q75 W76 W78C57-A73 VanDerWaalsContact SG-CA 3.59Å; C57-A73 PolarHBondContact SG-N 3.12Å; C70-A73 WeakPolarHBondContact O-CB 3.42Å; C70-A73 PolarHBondContact O-N 2.69Å; C70-A73 VanDerWaalsContact O-N 3.12Å; A71-A73 PolarHBondContact O-N 3.16Å; A73-Q75 PolarHBondContact O-N 2.84Å; A73-W76 WeakPolarHBondContact O-CB 3.44Å; A73-W76 PolarHBondContact O-N 3.18Å; A73-W78 CarbonylContact C-O 3.58Å; A73-W78 WeakPolarHBondContact CB-O 3.38Å; A73-W78 PolarHBondContact O-N 2.96Å
74K95.2Very high95.7Very high168 Ų16870.6 Ų70.673%0.7340%0.4SS*.G310 helixtrans-57.3-35.1178.2-70.5-179.8177.9-176.30112.8A71 Q72 W76 G77 W78A71-K74 VanDerWaalsContact O-CB 3.31Å; A71-K74 WeakPolarHBondContact O-CB 3.27Å; A71-K74 VanDerWaalsContact O-CG 3.29Å; A71-K74 WeakPolarHBondContact O-CG 3.28Å; A71-K74 PolarHBondContact O-N 2.62Å; A71-K74 VanDerWaalsContact O-N 3.16Å; Q72-K74 PolarHBondContact O-N 2.93Å; K74-W76 PolarHBondContact O-N 3.05Å; K74-W76 VanDerWaalsContact O-N 3.08Å; K74-G77 PolarHBondContact O-N 3.45Å; K74-W78 PolarHBondContact N-O 3.04Å
75Q94Very high95.8Very high136 Ų13674 Ų7464%0.63641%0.413SS*.G310 helixtrans-55.5-28.2175.4-179.6-177.9-1400112.5Q72 A73Q72-Q75 PolarHBondContact O-N 2.85Å; A73-Q75 PolarHBondContact O-N 2.84Å
76W93.6Very high95.9Very high51 Ų5175.5 Ų75.519%0.19340%0.398CS..G310 helixtrans-97.68.8-177.8-59.997.2000113.4A35 M39 Y47 C57 P59 A73 K74 W78A35-W76 HydrophobicContact CB-CH2 4.41Å; M39-W76 HydrophobicContact CE-CH2 3.52Å; M39-W76 HydrophobicContact CE-CZ2 4.42Å; M39-W76 HydrophobicContact CE-CZ3 4.27Å; Y47-W76 HydrophobicContact CD2-CZ2 4.42Å; Y47-W76 HydrophobicContact CE1-CZ2 4.42Å; Y47-W76 AromaticContact CE2-CZ2 3.64Å; Y47-W76 HydrophobicContact CE2-CZ2 3.64Å; Y47-W76 AromaticContact CZ-CZ2 3.6Å; Y47-W76 WeakPolarHBondContact OH-CZ2 3.44Å; C57-W76 PolarHBondContact O-NE1 2.85Å; P59-W76 HydrophobicContact CB-CB 3.98Å; P59-W76 HydrophobicContact CB-CG 4.05Å; P59-W76 HydrophobicContact CG-CB 4.05Å; P59-W76 HydrophobicContact CG-CD2 3.81Å; P59-W76 HydrophobicContact CG-CE3 4.24Å; P59-W76 HydrophobicContact CG-CG 3.71Å; A73-W76 WeakPolarHBondContact O-CB 3.44Å; A73-W76 PolarHBondContact O-N 3.18Å; K74-W76 PolarHBondContact O-N 3.05Å; K74-W76 VanDerWaalsContact O-N 3.08Å; W76-W78 HydrophobicContact CB-CB 4.46Å; W76-W78 PolarHBondContact O-N 3.35Å
77G95.1Very high96.1Very high70 Ų7072 Ų7272%0.72236%0.362SS*.THydrogen-bonded Turntrans61.929-171.400000112.6K74K74-G77 PolarHBondContact O-N 3.45Å
78W95.8Very high96.2Very high94 Ų9471.6 Ų71.636%0.35636%0.359SS..  trans-132.6166.9-174.1-154.8-113.4000111.7F60 A73 K74 W76 Q80F60-W78 PolarHBondContact O-NE1 3.04Å; A73-W78 CarbonylContact C-O 3.58Å; A73-W78 WeakPolarHBondContact CB-O 3.38Å; A73-W78 PolarHBondContact O-N 2.96Å; K74-W78 PolarHBondContact N-O 3.04Å; W76-W78 HydrophobicContact CB-CB 4.46Å; W76-W78 PolarHBondContact O-N 3.35Å; W78-Q80 VanDerWaalsContact CD1-O 3.28Å
79T95.6Very high96.3Very high79 Ų7972.8 Ų72.849%0.48535%0.353SS..SBendtrans-108.6-30.3-176.758.90000113.5R69 C70R69-T79 CarbonylContact C-O 3.58Å; R69-T79 VanDerWaalsContact CA-O 3.22Å; R69-T79 WeakPolarHBondContact CA-O 3.36Å; C70-T79 PolarHBondContact N-O 3.34Å
80Q96.8Very high96.4Very high38 Ų3865.3 Ų65.318%0.17833%0.326CS..BIsolated β-bridgetrans-105.2129.5-173-69.6175.9-49.600112.2F60 N64 V67 R69 W78F60-Q80 PolarHBondContact N-O 3.28Å; F60-Q80 VanDerWaalsContact N-O 3.1Å; N64-Q80 PolarHBondContact ND2-OE1 3.26Å; N64-Q80 PolarHBondContact O-NE2 3.17Å; V67-Q80 HydrophobicContact CB-CB 4.37Å; V67-Q80 HydrophobicContact CG1-CB 4.01Å; V67-Q80 PolarHBondContact O-NE2 3.47Å; R69-Q80 HydrophobicContact CG-CG 4.34Å; W78-Q80 VanDerWaalsContact CD1-O 3.28Å
81G96.7Very high96.5Very high5 Ų564.1 Ų64.15%0.05232%0.318CS..EExtended strand (participates in β ladder)trans-155159.3-179.700000112.9V58V58-G81 WeakPolarHBondContact O-CA 3.13Å
82R97.3Very high96.6Very high107 Ų10762.1 Ų62.140%0.40430%0.297SS..EExtended strand (participates in β ladder)trans-144.7173.2174.6-61.1-175.3168.2179.70.4110.8V58 F60 G66 V67 P84V58-R82 PolarHBondContact N-O 3.43Å; V58-R82 PolarHBondContact O-N 3.07Å; V58-R82 VanDerWaalsContact O-N 3.08Å; F60-R82 HydrophobicContact CD2-CB 4.14Å; F60-R82 HydrophobicContact CD2-CG 4.37Å; F60-R82 HydrophobicContact CE2-CB 3.59Å; F60-R82 HydrophobicContact CE2-CG 4.18Å; F60-R82 HydrophobicContact CZ-CB 4.04Å; F60-R82 HydrophobicContact CZ-CG 4.47Å; G66-R82 PolarHBondContact O-NH2 3.45Å; V67-R82 HydrophobicContact CG1-CG 3.7Å; R82-P84 WeakPolarHBondContact O-CD 3.33Å
83W97.9Very high96.6Very high89 Ų8965.4 Ų65.434%0.33731%0.312SS..  trans-113.476.4175.5-55.3-85.6000111.6Q54 Q56 C57 Q72 K85Q54-W83 VanDerWaalsContact CA-CD1 3.44Å; Q54-W83 HydrophobicContact CB-CD2 4.25Å; Q54-W83 HydrophobicContact CB-CG 4.04Å; Q54-W83 HydrophobicContact CG-CB 4.02Å; Q54-W83 HydrophobicContact CG-CD2 4.33Å; Q54-W83 HydrophobicContact CG-CG 3.93Å; Q54-W83 PolarHBondContact O-NE1 2.98Å; Q56-W83 PolarHBondContact O-NE1 3.04Å; C57-W83 HydrophobicContact CB-CZ2 4.14Å; Q72-W83 VanDerWaalsContact OE1-CZ2 3.27Å; W83-K85 VanDerWaalsContact C-N 3.27Å; W83-K85 PolarHBondContact O-N 3.46Å
84P97.5Very high96.6Very high12 Ų1266.2 Ų66.28%0.07832%0.316CS..  trans-73.675.7-179.132.5-38.7000112.1N28 T32 V58 F60 R82 K86 S87 A88N28-P84 HydrophobicContact CB-CB 3.94Å; T32-P84 HydrophobicContact CG2-CB 4.11Å; T32-P84 HydrophobicContact CG2-CG 3.13Å; V58-P84 HydrophobicContact CB-CG 4.35Å; V58-P84 HydrophobicContact CG2-CG 4.23Å; F60-P84 HydrophobicContact CE2-CG 4.34Å; F60-P84 HydrophobicContact CZ-CG 4.28Å; R82-P84 WeakPolarHBondContact O-CD 3.33Å; P84-K86 PolarHBondContact O-N 3.29Å; P84-S87 PolarHBondContact O-N 3.48Å; P84-A88 PolarHBondContact O-N 2.96Å; P84-A88 VanDerWaalsContact O-N 3.08Å
85K98Very high96.7Very high118 Ų11858.3 Ų58.351%0.51328%0.281SS..Hα-helixtrans-46-53.8-176.3-178.6173.3175.9176.30113.8T52 W83 S87 A88 E89T52-K85 HydrophobicContact CG2-CG 4.28Å; W83-K85 VanDerWaalsContact C-N 3.27Å; W83-K85 PolarHBondContact O-N 3.46Å; K85-S87 VanDerWaalsContact C-N 3.28Å; K85-S87 PolarHBondContact O-N 2.86Å; K85-A88 PolarHBondContact O-N 3.37Å; K85-A88 VanDerWaalsContact O-N 3.09Å; K85-E89 WeakPolarHBondContact CE-OE1 3.46Å; K85-E89 WeakPolarHBondContact CG-OE1 3.38Å; K85-E89 WeakPolarHBondContact O-CG 3.17Å; K85-E89 PolarHBondContact O-N 3.1Å
86K97.9Very high96.8Very high105 Ų10558.8 Ų58.846%0.45728%0.282SS..Hα-helixtrans-59.6-35.9179.8-167.3177.5-169.1-177.90113R23 V24 P84 F90R23-K86 VanDerWaalsContact O-CE 3.29Å; R23-K86 WeakPolarHBondContact O-CE 3.44Å; R23-K86 PolarHBondContact O-NZ 2.91Å; V24-K86 HydrophobicContact CG2-CB 4.46Å; V24-K86 HydrophobicContact CG2-CD 4.37Å; V24-K86 HydrophobicContact CG2-CG 4.06Å; P84-K86 PolarHBondContact O-N 3.29Å; K86-F90 HydrophobicContact CG-CD2 4.11Å; K86-F90 HydrophobicContact CG-CE2 4.05Å; K86-F90 VanDerWaalsContact O-CD2 3.23Å; K86-F90 WeakPolarHBondContact O-CD2 3.49Å; K86-F90 PolarHBondContact O-N 3.25Å
87S97.7Very high96.9Very high2 Ų260 Ų601%0.01429%0.291CS..Hα-helixtrans-72-38.3177.2-620000111.9V24 T29 P84 K85 L91V24-S87 WeakPolarHBondContact CG2-OG 3.37Å; T29-S87 PolarHBondContact N-OG 2.81Å; T29-S87 PolarHBondContact OG1-OG 2.83Å; P84-S87 PolarHBondContact O-N 3.48Å; K85-S87 VanDerWaalsContact C-N 3.28Å; K85-S87 PolarHBondContact O-N 2.86Å; S87-L91 WeakPolarHBondContact O-CG 3.29Å; S87-L91 PolarHBondContact O-N 3.21Å; S87-L91 VanDerWaalsContact O-N 3.09Å
88A97.9Very high96.9Very high0 Ų056.6 Ų56.60%026%0.257CS..Hα-helixtrans-64.7-42.717600000112.1L48 V51 T52 P84 K85 L91 L92L48-A88 HydrophobicContact CB-CB 4.47Å; L48-A88 HydrophobicContact CD2-CB 4.14Å; V51-A88 HydrophobicContact CB-CB 4.46Å; V51-A88 HydrophobicContact CG1-CB 4.1Å; T52-A88 HydrophobicContact CG2-CB 3.85Å; P84-A88 PolarHBondContact O-N 2.96Å; P84-A88 VanDerWaalsContact O-N 3.08Å; K85-A88 PolarHBondContact O-N 3.37Å; K85-A88 VanDerWaalsContact O-N 3.09Å; A88-L91 PolarHBondContact O-N 3.34Å; A88-L92 WeakPolarHBondContact O-CG 3.35Å; A88-L92 PolarHBondContact O-N 3.1Å
89E97.8Very high96.9Very high72 Ų7254.4 Ų54.434%0.33625%0.251SS..Hα-helixtrans-59.9-48.9176.5-72166.6174.300112.1T52 K85 L91 L92 H93T52-E89 HydrophobicContact CG2-CG 4.14Å; K85-E89 WeakPolarHBondContact CE-OE1 3.46Å; K85-E89 WeakPolarHBondContact CG-OE1 3.38Å; K85-E89 WeakPolarHBondContact O-CG 3.17Å; K85-E89 PolarHBondContact O-N 3.1Å; E89-L91 VanDerWaalsContact C-N 3.3Å; E89-L91 PolarHBondContact O-N 3.12Å; E89-L92 WeakPolarHBondContact O-CB 3.22Å; E89-L92 PolarHBondContact O-N 3.48Å; E89-H93 PolarHBondContact O-CD2 3.48Å; E89-H93 PolarHBondContact O-N 3.26Å
90F97.4Very high96.9Very high59 Ų5953.3 Ų53.326%0.25925%0.246SC..Hα-helixtrans-61.5-38.5176.8-88-98.4000112.1L22 V24 K86 H93 M94L22-F90 HydrophobicContact CB-CD1 4.26Å; L22-F90 HydrophobicContact CB-CE1 4.24Å; L22-F90 HydrophobicContact CD1-CD1 4.11Å; L22-F90 HydrophobicContact CD2-CD1 4.05Å; L22-F90 HydrophobicContact CD2-CE1 3.97Å; L22-F90 HydrophobicContact CG-CD1 4.37Å; V24-F90 HydrophobicContact CB-CD2 4.42Å; K86-F90 HydrophobicContact CG-CD2 4.11Å; K86-F90 HydrophobicContact CG-CE2 4.05Å; K86-F90 VanDerWaalsContact O-CD2 3.23Å; K86-F90 WeakPolarHBondContact O-CD2 3.49Å; K86-F90 PolarHBondContact O-N 3.25Å; F90-H93 PolarHBondContact O-N 3.16Å; F90-M94 VanDerWaalsContact O-CG 3.25Å; F90-M94 WeakPolarHBondContact O-CG 3.34Å; F90-M94 PolarHBondContact O-N 3.07Å; F90-M94 VanDerWaalsContact O-N 3.08Å
91L97.2Very high96.9Very high0 Ų053.9 Ų53.90%025%0.25CS..Hα-helixtrans-68.6-36175.9-73.2175.6000112.6T32 A33 I36 L48 S87 A88 E89 M94 L95 I117 I146 M148T32-L91 WeakPolarHBondContact OG1-CD1 3.42Å; A33-L91 HydrophobicContact CB-CD1 4.35Å; I36-L91 HydrophobicContact CD1-CD1 4.13Å; L48-L91 HydrophobicContact CD1-CB 3.75Å; L48-L91 HydrophobicContact CD2-CD1 4.47Å; S87-L91 WeakPolarHBondContact O-CG 3.29Å; S87-L91 PolarHBondContact O-N 3.21Å; S87-L91 VanDerWaalsContact O-N 3.09Å; A88-L91 PolarHBondContact O-N 3.34Å; E89-L91 VanDerWaalsContact C-N 3.3Å; E89-L91 PolarHBondContact O-N 3.12Å; L91-M94 WeakPolarHBondContact O-CB 3.32Å; L91-M94 PolarHBondContact O-N 3.08Å; L91-L95 WeakPolarHBondContact O-CG 3.44Å; L91-L95 PolarHBondContact O-N 3.24Å; L91-I117 HydrophobicContact CD2-CD1 3.98Å; L91-I146 HydrophobicContact CD2-CD1 4.11Å; L91-I146 HydrophobicContact CD2-CG2 4.09Å; L91-M148 HydrophobicContact CD2-CE 4.24Å
92L97.5Very high96.8Very high34 Ų3453.6 Ų53.618%0.17825%0.248CC..Hα-helixtrans-62-44.4173.4-78.1168.1000111.7T45 L48 K49 A88 E89 M94 L95 K96T45-L92 HydrophobicContact CG2-CD2 3.91Å; L48-L92 HydrophobicContact CB-CD1 4.16Å; L48-L92 HydrophobicContact CB-CD2 3.73Å; L48-L92 HydrophobicContact CB-CG 3.74Å; L48-L92 HydrophobicContact CD1-CD2 4.14Å; L48-L92 HydrophobicContact CD1-CG 4.08Å; K49-L92 HydrophobicContact CG-CD1 4.12Å; K49-L92 HydrophobicContact CG-CD2 4.24Å; A88-L92 WeakPolarHBondContact O-CG 3.35Å; A88-L92 PolarHBondContact O-N 3.1Å; E89-L92 WeakPolarHBondContact O-CB 3.22Å; E89-L92 PolarHBondContact O-N 3.48Å; L92-M94 VanDerWaalsContact C-N 3.29Å; L92-M94 PolarHBondContact O-N 2.89Å; L92-L95 PolarHBondContact O-N 3.08Å; L92-K96 PolarHBondContact O-N 3.31Å
93H96.8Very high96.7Very high135 Ų13554.5 Ų54.563%0.62526%0.256SS*.Hα-helixtrans-61.5-39.5174.7-69.5-62.6000112.1E89 F90 K96 N97E89-H93 PolarHBondContact O-CD2 3.48Å; E89-H93 PolarHBondContact O-N 3.26Å; F90-H93 PolarHBondContact O-N 3.16Å; H93-K96 PolarHBondContact O-N 3.08Å; H93-N97 PolarHBondContact O-N 3.47Å
94M96Very high96.5Very high17 Ų1757 Ų578%0.08428%0.276CS..Hα-helixtrans-65.6-39.9176.8-75.1-62.5-58.600113.1S17 R18 F90 L91 L92 N97 A98 M148S17-M94 WeakPolarHBondContact OG-CE 3.31Å; S17-M94 PolarHBondContact OG-O 3.3Å; R18-M94 VanDerWaalsContact CA-CE 3.46Å; F90-M94 VanDerWaalsContact O-CG 3.25Å; F90-M94 WeakPolarHBondContact O-CG 3.34Å; F90-M94 PolarHBondContact O-N 3.07Å; F90-M94 VanDerWaalsContact O-N 3.08Å; L91-M94 WeakPolarHBondContact O-CB 3.32Å; L91-M94 PolarHBondContact O-N 3.08Å; L92-M94 VanDerWaalsContact C-N 3.29Å; L92-M94 PolarHBondContact O-N 2.89Å; M94-N97 PolarHBondContact O-N 2.88Å; M94-A98 PolarHBondContact O-N 2.9Å; M94-M148 HydrophobicContact CB-CE 3.45Å; M94-M148 VanDerWaalsContact CB-CE 3.45Å; M94-M148 HydrophobicContact CB-SD 4.04Å; M94-M148 HydrophobicContact CE-CE 4.33Å; M94-M148 HydrophobicContact CE-CG 4.48Å; M94-M148 HydrophobicContact CG-CE 4.33Å
95L96.4Very high96.4Very high1 Ų162 Ų621%0.00530%0.296CS..Hα-helixtrans-66.4-42.8175-71.8175.3000111.5I41 A44 L48 L91 L92 N97 A98 E99 I114 M148I41-L95 HydrophobicContact CG1-CD2 4.43Å; A44-L95 HydrophobicContact CB-CD1 4.12Å; L48-L95 HydrophobicContact CD1-CD1 3.74Å; L91-L95 WeakPolarHBondContact O-CG 3.44Å; L91-L95 PolarHBondContact O-N 3.24Å; L92-L95 PolarHBondContact O-N 3.08Å; L95-N97 VanDerWaalsContact C-N 3.27Å; L95-N97 PolarHBondContact O-N 3.16Å; L95-A98 CarbonylContact O-C 3.47Å; L95-A98 WeakPolarHBondContact O-CA 3.49Å; L95-A98 WeakPolarHBondContact O-CB 3.39Å; L95-A98 PolarHBondContact O-N 3.33Å; L95-E99 PolarHBondContact O-N 3.31Å; L95-I114 HydrophobicContact CD2-CD1 3.72Å; L95-I114 HydrophobicContact CD2-CG1 4.19Å; L95-M148 HydrophobicContact CD2-CE 4.49Å; L95-M148 HydrophobicContact CD2-SD 3.99Å
96K96.4Very high96.1Very high147 Ų14759.7 Ų59.764%0.63931%0.306SS*.Hα-helixtrans-59.4-38.8174.7-173.9178.4-179.4-179.10112.2L92 H93 E99 S100L92-K96 PolarHBondContact O-N 3.31Å; H93-K96 PolarHBondContact O-N 3.08Å; K96-E99 PolarHBondContact O-N 2.98Å; K96-S100 PolarHBondContact O-N 3.34Å; K96-S100 VanDerWaalsContact O-N 3.11Å
97N96.1Very high95.9Very high75 Ų7555.6 Ų55.640%0.40129%0.289SS..Hα-helixtrans-66.6-38.2174.3-173.859.8000112.1S17 H93 M94 L95 N101S17-N97 PolarHBondContact OG-ND2 3.23Å; H93-N97 PolarHBondContact O-N 3.47Å; M94-N97 PolarHBondContact O-N 2.88Å; L95-N97 VanDerWaalsContact C-N 3.27Å; L95-N97 PolarHBondContact O-N 3.16Å; N97-N101 VanDerWaalsContact O-CG 3.24Å; N97-N101 PolarHBondContact O-N 3.39Å
98A95.2Very high95.6Very high0 Ų058.8 Ų58.80%031%0.306CS..Hα-helixtrans-66.4-38.5174.200000113C15 M94 L95 N101 A102 M148 L150C15-A98 PolarHBondContact SG-O 3.33Å; C15-A98 VanDerWaalsContact SG-O 3.32Å; M94-A98 PolarHBondContact O-N 2.9Å; L95-A98 CarbonylContact O-C 3.47Å; L95-A98 WeakPolarHBondContact O-CA 3.49Å; L95-A98 WeakPolarHBondContact O-CB 3.39Å; L95-A98 PolarHBondContact O-N 3.33Å; A98-N101 PolarHBondContact O-N 3.41Å; A98-A102 WeakPolarHBondContact O-CB 3.32Å; A98-A102 PolarHBondContact O-N 3.08Å; A98-M148 HydrophobicContact CB-SD 4.34Å; A98-L150 HydrophobicContact CB-CD1 3.39Å; A98-L150 HydrophobicContact CB-CD2 4.11Å; A98-L150 HydrophobicContact CB-CG 4.39Å
99E95.1Very high95.3Very high48 Ų4860.2 Ų60.222%0.22432%0.315CS..Hα-helixtrans-57.3-53.2172.4-75.5170.4177.500110.3I41 L95 K96 N101 A102 E103 V109I41-E99 HydrophobicContact CD1-CG 3.29Å; I41-E99 HydrophobicContact CG1-CG 4.24Å; L95-E99 PolarHBondContact O-N 3.31Å; K96-E99 PolarHBondContact O-N 2.98Å; E99-N101 VanDerWaalsContact C-N 3.29Å; E99-N101 PolarHBondContact O-N 2.98Å; E99-A102 WeakPolarHBondContact O-CA 3.15Å; E99-A102 WeakPolarHBondContact O-CB 3.45Å; E99-A102 PolarHBondContact O-N 2.9Å; E99-E103 WeakPolarHBondContact O-CG 3.44Å; E99-E103 PolarHBondContact O-N 2.89Å; E99-V109 HydrophobicContact CG-CG1 4.14Å
100S96.3Very high94.9Very high55 Ų5560.1 Ų60.139%0.38532%0.316SS..Hα-helixtrans-59.7-38.7178.7-174.20000112.6K96 A102 L104K96-S100 PolarHBondContact O-N 3.34Å; K96-S100 VanDerWaalsContact O-N 3.11Å; S100-A102 VanDerWaalsContact C-N 3.32Å; S100-A102 PolarHBondContact O-N 3.43Å; S100-L104 VanDerWaalsContact O-CG 3.32Å; S100-L104 WeakPolarHBondContact O-CG 3.35Å; S100-L104 PolarHBondContact O-N 3.49Å; S100-L104 VanDerWaalsContact O-N 3.1Å
101N95Very high94.6Very high50 Ų5058.8 Ų58.827%0.26731%0.314SS..Hα-helixtrans-67.3-31.6174.8-71.9-12.5000113.1C15 K16 N97 A98 E99 K105C15-N101 HydrophobicContact CB-CB 4.26Å; K16-N101 PolarHBondContact O-ND2 2.63Å; N97-N101 VanDerWaalsContact O-CG 3.24Å; N97-N101 PolarHBondContact O-N 3.39Å; A98-N101 PolarHBondContact O-N 3.41Å; E99-N101 VanDerWaalsContact C-N 3.29Å; E99-N101 PolarHBondContact O-N 2.98Å; N101-K105 WeakPolarHBondContact O-CG 3.25Å; N101-K105 PolarHBondContact O-N 2.86Å
102A94.9Very high94.4Very high0 Ų058.8 Ų58.80%031%0.314CS..Hα-helixtrans-74.7-41.6177.500000111.4C15 A98 E99 S100 L104 K105 G106 L107 L112C15-A102 HydrophobicContact CB-CB 4.23Å; A98-A102 WeakPolarHBondContact O-CB 3.32Å; A98-A102 PolarHBondContact O-N 3.08Å; E99-A102 WeakPolarHBondContact O-CA 3.15Å; E99-A102 WeakPolarHBondContact O-CB 3.45Å; E99-A102 PolarHBondContact O-N 2.9Å; S100-A102 VanDerWaalsContact C-N 3.32Å; S100-A102 PolarHBondContact O-N 3.43Å; A102-L104 VanDerWaalsContact C-N 3.32Å; A102-L104 PolarHBondContact O-N 3.29Å; A102-K105 CarbonylContact O-C 3.57Å; A102-K105 WeakPolarHBondContact O-CA 3.3Å; A102-K105 PolarHBondContact O-N 3.44Å; A102-G106 PolarHBondContact O-N 2.98Å; A102-G106 VanDerWaalsContact O-N 3.09Å; A102-L107 HydrophobicContact CB-CB 4.23Å; A102-L107 HydrophobicContact CB-CD1 4.28Å; A102-L107 PolarHBondContact O-N 3.15Å; A102-L112 HydrophobicContact CB-CD1 3.49Å; A102-L112 VanDerWaalsContact CB-CD1 3.49Å; A102-L112 HydrophobicContact CB-CD2 4.48Å
103E94.9Very high94.3Very high125 Ų12557.4 Ų57.458%0.58431%0.307SS*.Hα-helixtrans-57.5-45.4173.3-71.6174.2175.800111.2E99 K105 G106 V109E99-E103 WeakPolarHBondContact O-CG 3.44Å; E99-E103 PolarHBondContact O-N 2.89Å; E103-K105 PolarHBondContact O-N 2.99Å; E103-G106 PolarHBondContact O-N 3.07Å; E103-V109 HydrophobicContact CG-CG2 3.68Å
104L95.6Very high94.3Very high143 Ų14351 Ų5175%0.74928%0.277SS*.Hα-helixtrans-62.9-26.8176.1-72.1175000113.4S100 A102S100-L104 VanDerWaalsContact O-CG 3.32Å; S100-L104 WeakPolarHBondContact O-CG 3.35Å; S100-L104 PolarHBondContact O-N 3.49Å; S100-L104 VanDerWaalsContact O-N 3.1Å; A102-L104 VanDerWaalsContact C-N 3.32Å; A102-L104 PolarHBondContact O-N 3.29Å
105K93.6Very high94.3Very high116 Ų11652.8 Ų52.850%0.50429%0.286SS..THydrogen-bonded Turntrans-86.8-5.8174.7-76.4-171.9171.3-157.60113.4P11 S14 N101 A102 E103 L107P11-K105 PolarHBondContact O-NZ 3.09Å; S14-K105 PolarHBondContact O-NZ 2.84Å; N101-K105 WeakPolarHBondContact O-CG 3.25Å; N101-K105 PolarHBondContact O-N 2.86Å; A102-K105 CarbonylContact O-C 3.57Å; A102-K105 WeakPolarHBondContact O-CA 3.3Å; A102-K105 PolarHBondContact O-N 3.44Å; E103-K105 PolarHBondContact O-N 2.99Å; K105-L107 VanDerWaalsContact C-N 3.31Å; K105-L107 HydrophobicContact CB-CD1 4.25Å; K105-L107 HydrophobicContact CB-CG 4Å; K105-L107 HydrophobicContact CD-CD1 4.39Å
106G93.1Very high94.2Very high69 Ų6953.4 Ų53.471%0.71129%0.289SS*.THydrogen-bonded Turntrans69.925.1-175.600000114A102 E103A102-G106 PolarHBondContact O-N 2.98Å; A102-G106 VanDerWaalsContact O-N 3.09Å; E103-G106 PolarHBondContact O-N 3.07Å
107L92.9Very high94.3Very high19 Ų1946.6 Ų46.610%0.09926%0.259CS..  trans-79.7149.6175.4-60.4174.6000110.5C15 A102 K105 V109 L112 E152C15-L107 HydrophobicContact CB-CD1 4.39Å; A102-L107 HydrophobicContact CB-CB 4.23Å; A102-L107 HydrophobicContact CB-CD1 4.28Å; A102-L107 PolarHBondContact O-N 3.15Å; K105-L107 VanDerWaalsContact C-N 3.31Å; K105-L107 HydrophobicContact CB-CD1 4.25Å; K105-L107 HydrophobicContact CB-CG 4Å; K105-L107 HydrophobicContact CD-CD1 4.39Å; L107-V109 PolarHBondContact O-N 3.19Å; L107-V109 VanDerWaalsContact O-N 3.13Å; L107-L112 HydrophobicContact CD1-CD2 4.41Å; L107-E152 WeakPolarHBondContact CD2-OE2 3.49Å
108D92.4Very high94.3Very high69 Ų6945.8 Ų45.837%0.36925%0.253SS..  trans-70.5108.2170.7177.223.1000110.7D110 S111 L112D108-D110 PolarHBondContact O-N 2.87Å; D108-D110 PolarHBondContact OD1-N 2.91Å; D108-D110 VanDerWaalsContact OD1-N 3.09Å; D108-S111 PolarHBondContact O-N 3.36Å; D108-S111 VanDerWaalsContact OD2-CB 3.24Å; D108-S111 WeakPolarHBondContact OD2-CB 3.22Å; D108-S111 PolarHBondContact OD2-N 3.1Å; D108-S111 PolarHBondContact OD2-OG 2.96Å; D108-L112 PolarHBondContact O-N 3.18Å
109V90.1Very high94.4Very high31 Ų3146.4 Ų46.419%0.18826%0.257CS..G310 helixtrans-60.4-30-178.6-178.60000111.6I41 E99 E103 L107 L112I41-V109 VanDerWaalsContact CG2-O 3.27Å; I41-V109 WeakPolarHBondContact CG2-O 3.42Å; E99-V109 HydrophobicContact CG-CG1 4.14Å; E103-V109 HydrophobicContact CG-CG2 3.68Å; L107-V109 PolarHBondContact O-N 3.19Å; L107-V109 VanDerWaalsContact O-N 3.13Å; V109-L112 HydrophobicContact CB-CD1 4.5Å; V109-L112 HydrophobicContact CG1-CD1 4.38Å; V109-L112 PolarHBondContact O-N 3.32Å
110D89.6Confident94.5Very high70 Ų7047.1 Ų47.137%0.37426%0.262SS..G310 helixtrans-76.3-30.4-174.7-70.3-7000112.4R42 D108 L112R42-D110 IonicContact CZ-OD1 2.84Å; R42-D110 IonicContact CZ-OD2 3.04Å; R42-D110 IonicContact NE-OD1 2.93Å; R42-D110 PolarHBondContact NE-OD1 3.25Å; R42-D110 IonicContact NE-OD2 3.88Å; R42-D110 IonicContact NH1-OD1 3.68Å; R42-D110 IonicContact NH1-OD2 3.16Å; R42-D110 PolarHBondContact NH1-OD2 3.26Å; R42-D110 VanDerWaalsContact NH1-OD2 3.16Å; R42-D110 IonicContact NH2-OD1 2.62Å; R42-D110 PolarHBondContact NH2-OD1 3.37Å; R42-D110 IonicContact NH2-OD2 2.69Å; R42-D110 PolarHBondContact NH2-OD2 3.09Å; D108-D110 PolarHBondContact O-N 2.87Å; D108-D110 PolarHBondContact OD1-N 2.91Å; D108-D110 VanDerWaalsContact OD1-N 3.09Å; D110-L112 VanDerWaalsContact C-N 3.34Å
111S91.3Very high94.5Very high31 Ų3151.5 Ų51.522%0.21727%0.274CS..G310 helixtrans-88.10.4178.7-61.40000113.4D108 V113 K153D108-S111 PolarHBondContact O-N 3.36Å; D108-S111 VanDerWaalsContact OD2-CB 3.24Å; D108-S111 WeakPolarHBondContact OD2-CB 3.22Å; D108-S111 PolarHBondContact OD2-N 3.1Å; D108-S111 PolarHBondContact OD2-OG 2.96Å; S111-V113 PolarHBondContact O-N 3.08Å; S111-K153 PolarHBondContact O-N 3.16Å
112L94.1Very high94.6Very high0 Ų049.6 Ų49.60%027%0.265CS..EExtended strand (participates in β ladder)trans-68.6130.7178.4-70.3174.4000112.8H40 I41 A102 L107 D108 V109 D110 L150H40-L112 WeakPolarHBondContact CA-O 3.45Å; I41-L112 HydrophobicContact CB-CB 4.33Å; I41-L112 HydrophobicContact CD1-CD1 4.21Å; I41-L112 HydrophobicContact CG2-CB 4.17Å; I41-L112 PolarHBondContact N-O 3.41Å; A102-L112 HydrophobicContact CB-CD1 3.49Å; A102-L112 VanDerWaalsContact CB-CD1 3.49Å; A102-L112 HydrophobicContact CB-CD2 4.48Å; L107-L112 HydrophobicContact CD1-CD2 4.41Å; D108-L112 PolarHBondContact O-N 3.18Å; V109-L112 HydrophobicContact CB-CD1 4.5Å; V109-L112 HydrophobicContact CG1-CD1 4.38Å; V109-L112 PolarHBondContact O-N 3.32Å; D110-L112 VanDerWaalsContact C-N 3.34Å; L112-L150 HydrophobicContact CB-CD2 4.46Å; L112-L150 HydrophobicContact CD2-CB 4.33Å
113V95.4Very high94.7Very high4 Ų454 Ų542%0.02429%0.294CS..EExtended strand (participates in β ladder)trans-119.4140.3173.5176.90000109.7H40 S111 E115 L150 T151 K153H40-V113 VanDerWaalsContact CE1-CG2 3.41Å; H40-V113 WeakPolarHBondContact CE1-CG2 3.41Å; H40-V113 WeakPolarHBondContact ND1-CG2 3.35Å; S111-V113 PolarHBondContact O-N 3.08Å; V113-E115 PolarHBondContact O-N 3.07Å; V113-L150 VanDerWaalsContact O-CA 3.26Å; V113-L150 WeakPolarHBondContact O-CA 3.34Å; V113-T151 PolarHBondContact N-O 3.04Å; V113-T151 PolarHBondContact O-N 3.02Å; V113-K153 HydrophobicContact CB-CD 4.29Å; V113-K153 HydrophobicContact CB-CG 4.24Å; V113-K153 HydrophobicContact CG1-CD 4.44Å; V113-K153 HydrophobicContact CG2-CB 4.22Å; V113-K153 HydrophobicContact CG2-CD 4.07Å; V113-K153 HydrophobicContact CG2-CG 4.12Å
114I96.3Very high94.8Very high0 Ų054.2 Ų54.20%029%0.293CS..EExtended strand (participates in β ladder)trans-75.793.7174-56.6166.1000108.5I36 G38 M39 A44 L95 I117 L150I36-I114 HydrophobicContact CB-CD1 4.27Å; I36-I114 HydrophobicContact CD1-CD1 4.22Å; I36-I114 HydrophobicContact CG1-CD1 4.32Å; G38-I114 WeakPolarHBondContact CA-O 3.32Å; G38-I114 PolarHBondContact N-O 3.43Å; M39-I114 PolarHBondContact O-N 3.4Å; A44-I114 HydrophobicContact CB-CD1 3.64Å; L95-I114 HydrophobicContact CD2-CD1 3.72Å; L95-I114 HydrophobicContact CD2-CG1 4.19Å; I114-I117 HydrophobicContact CG2-CB 4.08Å; I114-I117 HydrophobicContact CG2-CG2 4.3Å; I114-L150 HydrophobicContact CG1-CD2 4.18Å; I114-L150 HydrophobicContact CG1-CG 4.25Å
115E95Very high94.8Very high55 Ų5551.4 Ų51.426%0.25728%0.277SS..EExtended strand (participates in β ladder)trans-71-54.2178.1-177.5-168.3-160.400110.8K37 V113 I149 T151K37-E115 WeakPolarHBondContact CE-O 3.41Å; V113-E115 PolarHBondContact O-N 3.07Å; E115-I149 PolarHBondContact N-O 3.25Å; E115-I149 VanDerWaalsContact N-O 3.14Å; E115-T151 HydrophobicContact CB-CG2 3.8Å; E115-T151 HydrophobicContact CG-CG2 4.29Å; E115-T151 WeakPolarHBondContact OE2-CG2 3.42Å
116H95.6Very high94.9Very high15 Ų1555.3 Ų55.37%0.06929%0.288CS..EExtended strand (participates in β ladder)trans-121.6134.3-177.7179.4-90.5000110.6S5 L6 Q118 E147 M148 I149S5-H116 PolarHBondContact OG-CE1 3.46Å; S5-H116 PolarHBondContact OG-NE2 3.11Å; L6-H116 HydrophobicContact CD2-CB 3.87Å; H116-Q118 VanDerWaalsContact CE1-CB 3.46Å; H116-Q118 WeakPolarHBondContact CE1-CB 3.39Å; H116-Q118 PolarHBondContact NE2-OE1 2.97Å; H116-E147 IonicContact CE1-OE1 2.71Å; H116-M148 CarbonylContact O-C 3.53Å; H116-M148 WeakPolarHBondContact O-CA 3.49Å; H116-I149 HydrophobicContact CB-CB 4.01Å; H116-I149 HydrophobicContact CB-CD1 4.19Å; H116-I149 HydrophobicContact CB-CG1 4.12Å; H116-I149 PolarHBondContact N-O 2.86Å; H116-I149 PolarHBondContact O-N 3.46Å
117I97.3Very high95.2Very high4 Ų457.9 Ų57.92%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-144.7128166.1-170.8170.2000108.4A33 I36 K37 L91 I114 E147 M148A33-I117 HydrophobicContact CB-CD1 3.62Å; A33-I117 HydrophobicContact CB-CG1 3.92Å; A33-I117 HydrophobicContact CB-CG2 4.46Å; A33-I117 VanDerWaalsContact O-CG2 3.3Å; A33-I117 WeakPolarHBondContact O-CG2 3.18Å; I36-I117 HydrophobicContact CD1-CD1 3.73Å; I36-I117 HydrophobicContact CG1-CD1 4Å; K37-I117 HydrophobicContact CB-CG2 3.72Å; K37-I117 HydrophobicContact CD-CG2 4.39Å; K37-I117 HydrophobicContact CG-CG2 3.99Å; L91-I117 HydrophobicContact CD2-CD1 3.98Å; I114-I117 HydrophobicContact CG2-CB 4.08Å; I114-I117 HydrophobicContact CG2-CG2 4.3Å; I117-E147 WeakPolarHBondContact CA-O 3.36Å; I117-M148 HydrophobicContact CB-CB 4.38Å; I117-M148 HydrophobicContact CD1-CE 3.97Å; I117-M148 HydrophobicContact CG1-CB 4.19Å
118Q96.4Very high95.4Very high58 Ų5865.2 Ų65.227%0.27130%0.303SS..EExtended strand (participates in β ladder)trans-135.5139.4-179.3179.9166.7-31.100110.7S5 H116 N120 I146 E147S5-Q118 PolarHBondContact OG-OE1 3.34Å; H116-Q118 VanDerWaalsContact CE1-CB 3.46Å; H116-Q118 WeakPolarHBondContact CE1-CB 3.39Å; H116-Q118 PolarHBondContact NE2-OE1 2.97Å; Q118-N120 PolarHBondContact NE2-ND2 3.38Å; Q118-N120 PolarHBondContact NE2-OD1 3.27Å; Q118-I146 WeakPolarHBondContact O-CA 3.44Å; Q118-E147 HydrophobicContact CB-CG 3.91Å; Q118-E147 PolarHBondContact N-O 3.31Å; Q118-E147 PolarHBondContact O-N 2.99Å
119V97.9Very high95.7Very high13 Ų1364.3 Ų64.38%0.07930%0.3CS..EExtended strand (participates in β ladder)trans-122.8121.3176.3-174.50000107.8F26 T29 R30 A33 C144 H145 I146F26-V119 HydrophobicContact CD2-CG1 3.88Å; F26-V119 HydrophobicContact CE2-CG1 4.1Å; F26-V119 WeakPolarHBondContact CE2-O 3.31Å; T29-V119 HydrophobicContact CG2-CG1 4.11Å; T29-V119 HydrophobicContact CG2-CG2 4.18Å; R30-V119 HydrophobicContact CB-CB 4.44Å; A33-V119 HydrophobicContact CB-CG2 3.48Å; A33-V119 VanDerWaalsContact CB-CG2 3.48Å; V119-C144 HydrophobicContact CG1-CB 3.7Å; V119-H145 CarbonylContact C-O 3.57Å; V119-H145 WeakPolarHBondContact CA-O 3.02Å; V119-I146 HydrophobicContact CG1-CG1 4.35Å; V119-I146 HydrophobicContact CG2-CG1 4.26Å; V119-I146 HydrophobicContact CG2-CG2 4.44Å
120N96.9Very high96Very high62 Ų6271 Ų7133%0.33232%0.323SS..EExtended strand (participates in β ladder)trans-115.9154.7179.1-68.4-29.6000110.5Q118 C144 H145Q118-N120 PolarHBondContact NE2-ND2 3.38Å; Q118-N120 PolarHBondContact NE2-OD1 3.27Å; N120-C144 CarbonylContact O-C 3.51Å; N120-C144 WeakPolarHBondContact O-CA 3.48Å; N120-C144 WeakPolarHBondContact O-CB 3.25Å; N120-H145 PolarHBondContact N-O 3.22Å; N120-H145 PolarHBondContact O-N 3.17Å
121K97.1Very high96.4Very high148 Ų14874.4 Ų74.464%0.64333%0.33SS*.EExtended strand (participates in β ladder)trans-68.9137175.5-65.5175-1761680109.5F26F26-K121 HydrophobicContact CD1-CD 4.48Å; F26-K121 HydrophobicContact CD1-CG 3.77Å; F26-K121 HydrophobicContact CD2-CB 4.49Å; F26-K121 HydrophobicContact CD2-CG 3.82Å; F26-K121 HydrophobicContact CE1-CD 4.26Å; F26-K121 HydrophobicContact CE1-CG 3.7Å; F26-K121 HydrophobicContact CE2-CG 3.78Å; F26-K121 HydrophobicContact CG-CG 3.83Å; F26-K121 HydrophobicContact CZ-CG 3.72Å
122A97Very high96.7Very high9 Ų975.7 Ų75.77%0.07434%0.343CS..PPolyproline II helixtrans-101.1167.1170.100000110.6K124 P143 H145A122-K124 PolarHBondContact O-N 3.48Å; A122-P143 HydrophobicContact CB-CB 4.01Å; A122-P143 HydrophobicContact CB-CG 3.87Å; A122-P143 PolarHBondContact N-O 3.09Å; A122-H145 WeakPolarHBondContact CA-NE2 3.06Å; A122-H145 VanDerWaalsContact CB-NE2 3.28Å; A122-H145 WeakPolarHBondContact CB-NE2 3.27Å
123P97.4Very high96.8Very high92 Ų9284.3 Ų84.360%0.59738%0.383SS*.PPolyproline II helixtrans-52.3131.9177.1-28.136.3000112.4P143P123-P143 WeakPolarHBondContact O-CG 3.14Å
124K96.6Very high96.9Very high130 Ų13087.6 Ų87.657%0.56542%0.418SS*.PPolyproline II helixtrans-70.8136.2-177.7-67.6-178.9-176.5172.70110.7A122 M140 S141A122-K124 PolarHBondContact O-N 3.48Å; K124-M140 HydrophobicContact CB-CB 4.36Å; K124-M140 HydrophobicContact CB-SD 4.38Å; K124-M140 HydrophobicContact CD-CB 4.25Å; K124-M140 HydrophobicContact CD-CE 4.44Å; K124-M140 HydrophobicContact CD-SD 3.66Å; K124-S141 WeakPolarHBondContact CA-O 3.39Å
125M95.3Very high97Very high85 Ų8594.6 Ų94.642%0.41945%0.445SS..EExtended strand (participates in β ladder)trans-93.1115.4173.1-59.5171.817500109.4M140 S141M125-M140 CarbonylContact O-C 3.57Å; M125-M140 WeakPolarHBondContact O-CA 3.49Å; M125-S141 PolarHBondContact N-O 3.01Å; M125-S141 PolarHBondContact O-N 3.13Å
126R96.4Very high97.1Very high198 Ų19896.3 Ų96.375%0.74746%0.455SS*.EExtended strand (participates in β ladder)trans-91.6134.8-173.4-172.2176.2176-177.9-1.3111.7M140R126-M140 HydrophobicContact CB-CG 4.49Å; R126-M140 HydrophobicContact CG-CG 4.43Å
127R97.5Very high97.2Very high122 Ų12299.1 Ų99.146%0.4647%0.47SS..EExtended strand (participates in β ladder)trans-129.1174.3166-64.7179.7-70.2174.7-6.1109Y139R127-Y139 WeakPolarHBondContact CA-O 3.37Å; R127-Y139 WeakPolarHBondContact CB-O 3.32Å; R127-Y139 PolarHBondContact N-O 3.43Å; R127-Y139 VanDerWaalsContact NH2-CD1 3.34Å; R127-Y139 PolarHBondContact O-N 2.91Å
128R97.8Very high97.2Very high174 Ų174102.3 Ų102.366%0.65749%0.491SS*.EExtended strand (participates in β ladder)trans-106.5146.3178.3-62.9179.9-177.4-174.7-2.9110.5I136R128-I136 HydrophobicContact CB-CG2 4.03Å; R128-I136 HydrophobicContact CG-CG2 4.1Å
129T98.2Very high97.3Very high49 Ų49105.9 Ų105.930%0.30150%0.503SS..EExtended strand (participates in β ladder)trans-123.9118.7165.5-61.10000108.1R131 N137 Y139T129-R131 HydrophobicContact CG2-CG 4.49Å; T129-N137 PolarHBondContact N-O 3.14Å; T129-N137 PolarHBondContact O-N 3.35Å; T129-Y139 WeakPolarHBondContact OG1-CB 3.31Å
130Y97.4Very high97.2Very high171 Ų171109.2 Ų109.267%0.67152%0.518SS*.EExtended strand (participates in β ladder)trans-75.1136.4173.9-57.1-73.1000109.8I136Y130-I136 HydrophobicContact CD1-CD1 4.38Å; Y130-I136 HydrophobicContact CD1-CG1 4.08Å; Y130-I136 HydrophobicContact CE1-CD1 4.12Å; Y130-I136 HydrophobicContact CE1-CG1 4.3Å
131R97.9Very high97.2Very high142 Ų142107.3 Ų107.354%0.53651%0.51SS..  trans-129.8165.3-176.2-61-63.2-70.7-120.9-0.5110.2T129 G134 R135 N137T129-R131 HydrophobicContact CG2-CG 4.49Å; R131-G134 PolarHBondContact O-N 3.46Å; R131-R135 HydrophobicContact CB-CB 4.03Å; R131-R135 PolarHBondContact N-O 3.35Å; R131-R135 PolarHBondContact O-N 2.92Å; R131-N137 HydrophobicContact CG-CB 4.29Å
132A97.5Very high97.2Very high59 Ų59102.3 Ų102.349%0.48849%0.494SS..SBendtrans-51.2145.2177.300000112.3R135A132-R135 PolarHBondContact O-NE 3.04Å
133H97Very high97.2Very high180 Ų180102 Ų10283%0.83349%0.491SS*.THydrogen-bonded Turntrans61.638.9-177.3-47.5-79.3000113.9R135H133-R135 PolarHBondContact O-N 2.87Å; H133-R135 VanDerWaalsContact O-N 3.14Å
134G96.6Very high97.2Very high74 Ų7497.7 Ų97.776%0.76346%0.463SS*.THydrogen-bonded Turntrans70.49174.800000115.4R131R131-G134 PolarHBondContact O-N 3.46Å
135R98Very high97.3Very high147 Ų14793.3 Ų93.356%0.55544%0.444SS*.  trans-72.6143.9-179.6-68.3-177.3-68.5177.9-5.5111.5R131 A132 H133R131-R135 HydrophobicContact CB-CB 4.03Å; R131-R135 PolarHBondContact N-O 3.35Å; R131-R135 PolarHBondContact O-N 2.92Å; A132-R135 PolarHBondContact O-NE 3.04Å; H133-R135 PolarHBondContact O-N 2.87Å; H133-R135 VanDerWaalsContact O-N 3.14Å
136I97.9Very high97.3Very high91 Ų9189.2 Ų89.247%0.46742%0.424SS..EExtended strand (participates in β ladder)trans-121.9114.4176.6-56.1178.5000109.8R128 Y130R128-I136 HydrophobicContact CB-CG2 4.03Å; R128-I136 HydrophobicContact CG-CG2 4.1Å; Y130-I136 HydrophobicContact CD1-CD1 4.38Å; Y130-I136 HydrophobicContact CD1-CG1 4.08Å; Y130-I136 HydrophobicContact CE1-CD1 4.12Å; Y130-I136 HydrophobicContact CE1-CG1 4.3Å
137N97.7Very high97.3Very high74 Ų7480 Ų8040%0.39639%0.39SS..EExtended strand (participates in β ladder)trans-102151.6176.5-73-0.6000111.3T129 R131T129-N137 PolarHBondContact N-O 3.14Å; T129-N137 PolarHBondContact O-N 3.35Å; R131-N137 HydrophobicContact CG-CB 4.29Å
138P97.6Very high97.3Very high70 Ų7074.2 Ų74.246%0.45537%0.368SS..EExtended strand (participates in β ladder)trans-76.8135.4174.630.8-33.7000111.5M140P138-M140 HydrophobicContact CB-CE 4.33Å; P138-M140 HydrophobicContact CB-CG 4.33Å; P138-M140 HydrophobicContact CG-CE 4.32Å
139Y97.2Very high97.2Very high133 Ų13366 Ų6652%0.52234%0.337SS..EExtended strand (participates in β ladder)trans-113.9105.3167.9-166.9-121.7000109.9R127 T129R127-Y139 WeakPolarHBondContact CA-O 3.37Å; R127-Y139 WeakPolarHBondContact CB-O 3.32Å; R127-Y139 PolarHBondContact N-O 3.43Å; R127-Y139 VanDerWaalsContact NH2-CD1 3.34Å; R127-Y139 PolarHBondContact O-N 2.91Å; T129-Y139 WeakPolarHBondContact OG1-CB 3.31Å
140M97.1Very high97.1Very high83 Ų8363.6 Ų63.641%0.40932%0.323SS..EExtended strand (participates in β ladder)trans-109.6127.7-168.9-67.3-179.6-77.300111.7K124 M125 R126 P138K124-M140 HydrophobicContact CB-CB 4.36Å; K124-M140 HydrophobicContact CB-SD 4.38Å; K124-M140 HydrophobicContact CD-CB 4.25Å; K124-M140 HydrophobicContact CD-CE 4.44Å; K124-M140 HydrophobicContact CD-SD 3.66Å; M125-M140 CarbonylContact O-C 3.57Å; M125-M140 WeakPolarHBondContact O-CA 3.49Å; R126-M140 HydrophobicContact CB-CG 4.49Å; R126-M140 HydrophobicContact CG-CG 4.43Å; P138-M140 HydrophobicContact CB-CE 4.33Å; P138-M140 HydrophobicContact CB-CG 4.33Å; P138-M140 HydrophobicContact CG-CE 4.32Å
141S96.3Very high96.9Very high22 Ų2256.2 Ų56.215%0.15430%0.295CS..EExtended strand (participates in β ladder)trans-74.9141.9164.8-47.90000108.9K124 M125 P143K124-S141 WeakPolarHBondContact CA-O 3.39Å; M125-S141 PolarHBondContact N-O 3.01Å; M125-S141 PolarHBondContact O-N 3.13Å; S141-P143 WeakPolarHBondContact O-CD 3.47Å
142S96.7Very high96.7Very high44 Ų4452.2 Ų52.231%0.30828%0.283SS..  trans-112.376.5176.6-62.10000110.3V24 F26V24-S142 VanDerWaalsContact O-O 3.05Å; F26-S142 PolarHBondContact N-O 3.3Å
143P97.9Very high96.1Very high3 Ų355.5 Ų55.52%0.01929%0.286CS..  trans-67.1171.6177.328.8-32.9000111.7L22 V24 A122 P123 S141L22-P143 VanDerWaalsContact O-CA 3.27Å; L22-P143 WeakPolarHBondContact O-CA 3.5Å; L22-P143 WeakPolarHBondContact O-CB 3.37Å; V24-P143 WeakPolarHBondContact O-CA 3.39Å; A122-P143 HydrophobicContact CB-CB 4.01Å; A122-P143 HydrophobicContact CB-CG 3.87Å; A122-P143 PolarHBondContact N-O 3.09Å; P123-P143 WeakPolarHBondContact O-CG 3.14Å; S141-P143 WeakPolarHBondContact O-CD 3.47Å
144C97.6Very high95.1Very high0 Ų053 Ų530%027%0.274CS..EExtended strand (participates in β ladder)trans-137.6158.1178.864.60000114.1L22 V24 F26 V119 N120L22-C144 WeakPolarHBondContact CB-O 3.11Å; L22-C144 PolarHBondContact N-O 3.08Å; L22-C144 PolarHBondContact O-N 3.09Å; L22-C144 VanDerWaalsContact O-N 3.1Å; V24-C144 WeakPolarHBondContact CG1-SG 3.46Å; F26-C144 HydrophobicContact CB-CB 4.17Å; F26-C144 HydrophobicContact CD2-CB 4Å; V119-C144 HydrophobicContact CG1-CB 3.7Å; N120-C144 CarbonylContact O-C 3.51Å; N120-C144 WeakPolarHBondContact O-CA 3.48Å; N120-C144 WeakPolarHBondContact O-CB 3.25Å
145H97Very high93.6Very high38 Ų3858 Ų5818%0.17628%0.278CS..EExtended strand (participates in β ladder)trans-98.3135.3160.2-55.8-77000107.9G19 S20 N21 V119 N120 A122G19-H145 CarbonylContact O-C 3.04Å; G19-H145 WeakPolarHBondContact O-CA 3.23Å; S20-H145 WeakPolarHBondContact CA-ND1 3.39Å; S20-H145 WeakPolarHBondContact CB-ND1 3.47Å; N21-H145 PolarHBondContact N-CE1 2.96Å; N21-H145 PolarHBondContact N-ND1 3.24Å; N21-H145 PolarHBondContact OD1-CE1 2.95Å; V119-H145 CarbonylContact C-O 3.57Å; V119-H145 WeakPolarHBondContact CA-O 3.02Å; N120-H145 PolarHBondContact N-O 3.22Å; N120-H145 PolarHBondContact O-N 3.17Å; A122-H145 WeakPolarHBondContact CA-NE2 3.06Å; A122-H145 VanDerWaalsContact CB-NE2 3.28Å; A122-H145 WeakPolarHBondContact CB-NE2 3.27Å
146I96.9Very high92.1Very high0 Ų057.8 Ų57.80%029%0.286CS..EExtended strand (participates in β ladder)trans-119.8131.1175.1-54.7172.7000107R18 G19 L22 T29 L91 Q118 V119 M148R18-I146 CarbonylContact C-O 3.53Å; R18-I146 WeakPolarHBondContact CA-O 3.42Å; R18-I146 WeakPolarHBondContact CG-O 2.94Å; G19-I146 PolarHBondContact N-O 3.14Å; G19-I146 PolarHBondContact O-N 3.27Å; L22-I146 HydrophobicContact CD1-CB 4.26Å; L22-I146 HydrophobicContact CD1-CD1 3.47Å; L22-I146 VanDerWaalsContact CD1-CD1 3.47Å; L22-I146 HydrophobicContact CD1-CG1 3.81Å; T29-I146 HydrophobicContact CG2-CD1 3.52Å; T29-I146 HydrophobicContact CG2-CG1 4.07Å; L91-I146 HydrophobicContact CD2-CD1 4.11Å; L91-I146 HydrophobicContact CD2-CG2 4.09Å; Q118-I146 WeakPolarHBondContact O-CA 3.44Å; V119-I146 HydrophobicContact CG1-CG1 4.35Å; V119-I146 HydrophobicContact CG2-CG1 4.26Å; V119-I146 HydrophobicContact CG2-CG2 4.44Å; I146-M148 HydrophobicContact CG2-CE 4.34Å
147E96.3Very high90.6Very high5 Ų559.2 Ų59.22%0.02330%0.299CS..EExtended strand (participates in β ladder)trans-128.7144.6168.961.9-175.8-159.500109.1Y4 S5 R18 H116 I117 Q118Y4-E147 HydrophobicContact CD1-CB 3.79Å; Y4-E147 HydrophobicContact CD1-CG 4.28Å; Y4-E147 HydrophobicContact CE1-CB 3.73Å; S5-E147 VanDerWaalsContact CB-OE1 3.27Å; S5-E147 WeakPolarHBondContact CB-OE1 3.33Å; S5-E147 PolarHBondContact N-OE1 2.98Å; S5-E147 PolarHBondContact OG-OE1 2.92Å; R18-E147 HydrophobicContact CG-CB 4.33Å; R18-E147 IonicContact CZ-OE2 3.74Å; R18-E147 IonicContact NH1-OE2 2.85Å; R18-E147 PolarHBondContact NH1-OE2 3.33Å; H116-E147 IonicContact CE1-OE1 2.71Å; I117-E147 WeakPolarHBondContact CA-O 3.36Å; Q118-E147 HydrophobicContact CB-CG 3.91Å; Q118-E147 PolarHBondContact N-O 3.31Å; Q118-E147 PolarHBondContact O-N 2.99Å
148M95.9Very high89.3Confident0 Ų060.9 Ų60.90%031%0.314CS..EExtended strand (participates in β ladder)trans-144149.1176.362.3-177.157.600111.1S17 L91 M94 L95 A98 H116 I117 I146 L150S17-M148 PolarHBondContact N-O 3.23Å; S17-M148 PolarHBondContact O-N 2.79Å; L91-M148 HydrophobicContact CD2-CE 4.24Å; M94-M148 HydrophobicContact CB-CE 3.45Å; M94-M148 VanDerWaalsContact CB-CE 3.45Å; M94-M148 HydrophobicContact CB-SD 4.04Å; M94-M148 HydrophobicContact CE-CE 4.33Å; M94-M148 HydrophobicContact CE-CG 4.48Å; M94-M148 HydrophobicContact CG-CE 4.33Å; L95-M148 HydrophobicContact CD2-CE 4.49Å; L95-M148 HydrophobicContact CD2-SD 3.99Å; A98-M148 HydrophobicContact CB-SD 4.34Å; H116-M148 CarbonylContact O-C 3.53Å; H116-M148 WeakPolarHBondContact O-CA 3.49Å; I117-M148 HydrophobicContact CB-CB 4.38Å; I117-M148 HydrophobicContact CD1-CE 3.97Å; I117-M148 HydrophobicContact CG1-CB 4.19Å; I146-M148 HydrophobicContact CG2-CE 4.34Å; M148-L150 HydrophobicContact CB-CD1 4.48Å; M148-L150 HydrophobicContact CG-CD1 4.04Å; M148-L150 HydrophobicContact SD-CD1 4.15Å
149I96.3Very high88.3Confident0 Ų066.9 Ų66.90%033%0.333CS..EExtended strand (participates in β ladder)trans-128.4128.7175.2-50.1178.8000106.4Y4 L6 P8 C15 K16 E115 H116 T151Y4-I149 HydrophobicContact CD1-CD1 4.35Å; Y4-I149 HydrophobicContact CD1-CG1 4.18Å; Y4-I149 HydrophobicContact CE1-CG1 4.5Å; L6-I149 HydrophobicContact CB-CD1 4.42Å; L6-I149 VanDerWaalsContact O-CD1 3.22Å; L6-I149 WeakPolarHBondContact O-CD1 3.36Å; P8-I149 HydrophobicContact CB-CG2 4.02Å; P8-I149 HydrophobicContact CG-CG2 4.45Å; C15-I149 WeakPolarHBondContact O-CA 3.38Å; K16-I149 HydrophobicContact CG-CG1 4.27Å; K16-I149 HydrophobicContact CG-CG2 4.48Å; E115-I149 PolarHBondContact N-O 3.25Å; E115-I149 VanDerWaalsContact N-O 3.14Å; H116-I149 HydrophobicContact CB-CB 4.01Å; H116-I149 HydrophobicContact CB-CD1 4.19Å; H116-I149 HydrophobicContact CB-CG1 4.12Å; H116-I149 PolarHBondContact N-O 2.86Å; H116-I149 PolarHBondContact O-N 3.46Å; I149-T151 HydrophobicContact CG2-CG2 4.43Å
150L95.5Very high87.2Confident0 Ų066.3 Ų66.30%035%0.345CS..EExtended strand (participates in β ladder)trans-114.5140.5174-59.178.6000108.1S14 C15 I41 A98 L112 V113 I114 M148S14-L150 CarbonylContact C-O 3.47Å; S14-L150 WeakPolarHBondContact CA-O 3.22Å; C15-L150 PolarHBondContact N-O 3.28Å; C15-L150 PolarHBondContact O-N 2.86Å; I41-L150 HydrophobicContact CB-CD2 4.48Å; I41-L150 HydrophobicContact CD1-CD2 3.43Å; I41-L150 VanDerWaalsContact CD1-CD2 3.43Å; I41-L150 HydrophobicContact CG1-CD2 4.08Å; A98-L150 HydrophobicContact CB-CD1 3.39Å; A98-L150 HydrophobicContact CB-CD2 4.11Å; A98-L150 HydrophobicContact CB-CG 4.39Å; L112-L150 HydrophobicContact CB-CD2 4.46Å; L112-L150 HydrophobicContact CD2-CB 4.33Å; V113-L150 VanDerWaalsContact O-CA 3.26Å; V113-L150 WeakPolarHBondContact O-CA 3.34Å; I114-L150 HydrophobicContact CG1-CD2 4.18Å; I114-L150 HydrophobicContact CG1-CG 4.25Å; M148-L150 HydrophobicContact CB-CD1 4.48Å; M148-L150 HydrophobicContact CG-CD1 4.04Å; M148-L150 HydrophobicContact SD-CD1 4.15Å
151T94.7Very high86.1Confident15 Ų1571.3 Ų71.39%0.09237%0.368CS..EExtended strand (participates in β ladder)trans-126.9139.7-177.659.80000108.9K13 S14 V113 E115 I149 K153K13-T151 WeakPolarHBondContact O-CA 3.33Å; S14-T151 VanDerWaalsContact OG-CG2 3.26Å; S14-T151 WeakPolarHBondContact OG-CG2 3.46Å; V113-T151 PolarHBondContact N-O 3.04Å; V113-T151 PolarHBondContact O-N 3.02Å; E115-T151 HydrophobicContact CB-CG2 3.8Å; E115-T151 HydrophobicContact CG-CG2 4.29Å; E115-T151 WeakPolarHBondContact OE2-CG2 3.42Å; I149-T151 HydrophobicContact CG2-CG2 4.43Å; T151-K153 PolarHBondContact O-N 3.38Å
152E92.6Very high84.9Confident59 Ų5979.1 Ų79.128%0.27640%0.402SS..EExtended strand (participates in β ladder)trans-70119.4167-169.2176.2-17700108.7K13 L107K13-E152 HydrophobicContact CB-CB 4.48Å; K13-E152 PolarHBondContact O-N 2.83Å; L107-E152 WeakPolarHBondContact CD2-OE2 3.49Å
153K85.5Confident83.3Confident128 Ų12886.3 Ų86.356%0.55743%0.43SS*.PPolyproline II helixtrans-96.6121.8173.2-82.3-161.6176.5-172.40109.6S111 V113 T151S111-K153 PolarHBondContact O-N 3.16Å; V113-K153 HydrophobicContact CB-CD 4.29Å; V113-K153 HydrophobicContact CB-CG 4.24Å; V113-K153 HydrophobicContact CG1-CD 4.44Å; V113-K153 HydrophobicContact CG2-CB 4.22Å; V113-K153 HydrophobicContact CG2-CD 4.07Å; V113-K153 HydrophobicContact CG2-CG 4.12Å; T151-K153 PolarHBondContact O-N 3.38Å
154E75.7Confident81.5Confident127 Ų12792.5 Ų92.559%0.59347%0.468SS*.PPolyproline II helixtrans-67.6136166.4-69.3176.2-177.900109.5K13 I156K13-E154 IonicContact NZ-OE1 3.51Å; K13-E154 PolarHBondContact NZ-OE1 3.42Å; E154-I156 VanDerWaalsContact C-N 3.27Å; E154-I156 HydrophobicContact CB-CG1 4.44Å; E154-I156 PolarHBondContact O-N 3.23Å
155Q65.8Low79.5Confident180 Ų18096.6 Ų96.684%0.84150%0.502SS*.  trans-7387.6168.9-69.8-175.58.500108.5V157Q155-V157 PolarHBondContact O-N 3.2Å; Q155-V157 VanDerWaalsContact O-N 3.08Å
156I66.4Low77.4Confident142 Ų142103.7 Ų103.773%0.72854%0.535SS*.  trans-75.1100.7170.8-59.5169.6000106.6E154 P158E154-I156 VanDerWaalsContact C-N 3.27Å; E154-I156 HydrophobicContact CB-CG1 4.44Å; E154-I156 PolarHBondContact O-N 3.23Å; I156-P158 WeakPolarHBondContact O-CD 3.29Å
157V65.2Low75.3Confident121 Ų121113.5 Ų113.573%0.73358%0.578SS**PPolyproline II helixtrans-68.3117.5166.6-178.70000106.5Q155 K159Q155-V157 PolarHBondContact O-N 3.2Å; Q155-V157 VanDerWaalsContact O-N 3.08Å; V157-K159 PolarHBondContact O-N 2.85Å
158P70.6Confident73.3Confident108 Ų108123.1 Ų123.170%0.70162%0.62SS**PPolyproline II helixtrans-60.4134.4178.123.1-30000109I156I156-P158 WeakPolarHBondContact O-CD 3.29Å
159K76.4Confident71.1Confident197 Ų197136.5 Ų136.586%0.85768%0.678SS**PPolyproline II helixtrans-59.6140.2172.2-75.1-177.6177.3-179.60108.6V157 E161V157-K159 PolarHBondContact O-N 2.85Å; K159-E161 PolarHBondContact O-N 2.85Å
160P74.4Confident69.8Low121 Ų121143.3 Ų143.379%0.78671%0.712SS**PPolyproline II helixtrans-57.4137.3176.123.7-31.5000109.6E162P160-E162 PolarHBondContact O-N 2.81Å
161E75.1Confident68.5Low188 Ų188150.8 Ų150.888%0.87975%0.749SS**PPolyproline II helixtrans-62.4128.3173.5-67.7-178.1169.600108.6K159 E163K159-E161 PolarHBondContact O-N 2.85Å; E161-E163 PolarHBondContact O-N 2.79Å
162E69.9Low67Low185 Ų185158.4 Ų158.486%0.86479%0.785SS**PPolyproline II helixtrans-63.2121174.6-70-177.1170.500108.6P160 V164P160-E162 PolarHBondContact O-N 2.81Å; E162-V164 PolarHBondContact O-N 3.05Å
163E64.3Low65.5Low195 Ų195164.2 Ų164.291%0.91182%0.815SS**  trans-57.9107.6175.3-75.9-173.1158.100109.2E161 A165E161-E163 PolarHBondContact O-N 2.79Å; E163-A165 PolarHBondContact O-N 2.94Å
164V58.4Low64.3Low133 Ų133166.5 Ų166.581%0.80683%0.832SS**  trans-64.8102.4171.8-176.90000107.1E162 Q166E162-V164 PolarHBondContact O-N 3.05Å; V164-Q166 PolarHBondContact O-N 3.14Å
165A55.9Low63.5Low87 Ų87169.1 Ų169.172%0.71985%0.847SS**  trans-50.1108.5176.300000109.7E163 K167E163-A165 PolarHBondContact O-N 2.94Å; A165-K167 PolarHBondContact O-N 3.46Å
166Q53.3Low63.3Low187 Ų187168.4 Ų168.487%0.87485%0.848SS**  trans-61.9108.1176.3-72.8-178.7-6.400108.4V164 K168V164-Q166 PolarHBondContact O-N 3.14Å; Q166-K168 PolarHBondContact O-N 3.42Å
167K53.9Low63.1Low206 Ų206170.4 Ų170.490%0.89686%0.857SS**  trans-61.3106.1165.6-80.9-176.4175.4179.40107.8A165 K169A165-K167 PolarHBondContact O-N 3.46Å; K167-K169 PolarHBondContact O-N 2.82Å
168K53.1Low62.9Low207 Ų207174.5 Ų174.590%0.987%0.867SS**  trans-57.6127.1167.3-74.9-177175.5179.80108.5Q166Q166-K168 PolarHBondContact O-N 3.42Å
169K49.8Very low62.2Low280 Ų280180.5 Ų180.5100%1.21788%0.883SS**  trans-74.60163-88.3-174.9173.8-178.80109.9K167K167-K169 PolarHBondContact O-N 2.82Å

Retrieved 169 of 169 residues in 93.2 ms (Link to these results)

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