A0A087XQH5_POEFO Loading...

Small ribosomal subunit protein eS19

Component of the small ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell. Required for pre-rRNA processing and maturation of 40S ribosomal subunits.

AlphaFold DB , UniProt , Accession A0A087XQH5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 152 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
1M56.6Low85Confident205 Ų20587.2 Ų87.2100%1.0147%0.473SS*.  0134.10-74.1-76.8174.800107.5
2P69.8Low85.6Confident108 Ų10891.4 Ų91.470%0.70149%0.488SS*.PPolyproline II helixtrans-57.8147.517323.5-30.8000110.2V4P2-V4 PolarHBondContact O-N 3.15Å
3S81.3Confident86.2Confident111 Ų11189.6 Ų89.678%0.77648%0.475SS*.PPolyproline II helixtrans-63.5122.4177.550.20000109.9
4V88.3Confident86.8Confident45 Ų4583.2 Ų83.227%0.27344%0.441SS..PPolyproline II helixtrans-96.2126.8176.4178.50000108.2P2 D8 V9 A135 A139P2-V4 PolarHBondContact O-N 3.15Å; V4-D8 HydrophobicContact CG1-CB 4.09Å; V4-V9 HydrophobicContact CG1-CG1 3.83Å; V4-A135 HydrophobicContact CG1-CB 4.42Å; V4-A139 HydrophobicContact CG1-CB 3.85Å; V4-A139 HydrophobicContact CG2-CB 4.21Å
5T91.4Very high87.3Confident41 Ų4178.9 Ų78.925%0.25242%0.419SS..  trans-105.6170.6176.2700000110.9K7 D8T5-K7 PolarHBondContact O-N 3.43Å; T5-K7 VanDerWaalsContact O-N 3.08Å; T5-K7 PolarHBondContact OG1-N 3.32Å; T5-D8 WeakPolarHBondContact CB-OD2 3.46Å; T5-D8 PolarHBondContact N-OD2 3.31Å; T5-D8 PolarHBondContact O-N 2.93Å; T5-D8 PolarHBondContact OG1-OD2 3.3Å
6V90.9Very high87.7Confident0 Ų083.1 Ų83.10%043%0.432CS..G310 helixtrans-57.3-23.2174.9-1790000112.9D8 V9 F14 R62 Y65 L131 D132 A135V6-D8 VanDerWaalsContact C-N 3.33Å; V6-V9 WeakPolarHBondContact O-CG2 3.29Å; V6-F14 HydrophobicContact CB-CZ 4.44Å; V6-F14 HydrophobicContact CG1-CD1 4.11Å; V6-F14 HydrophobicContact CG1-CE1 3.76Å; V6-F14 HydrophobicContact CG1-CE2 4.39Å; V6-F14 HydrophobicContact CG1-CZ 3.91Å; V6-F14 HydrophobicContact CG2-CE1 4.4Å; V6-F14 HydrophobicContact CG2-CE2 4.08Å; V6-F14 HydrophobicContact CG2-CZ 3.74Å; V6-R62 HydrophobicContact CG1-CG 3.95Å; V6-Y65 HydrophobicContact CB-CD1 3.98Å; V6-Y65 HydrophobicContact CB-CE1 3.76Å; V6-Y65 HydrophobicContact CB-CE2 4.3Å; V6-Y65 HydrophobicContact CB-CG 4.39Å; V6-Y65 HydrophobicContact CG1-CD1 4.34Å; V6-Y65 HydrophobicContact CG2-CD1 4.33Å; V6-Y65 HydrophobicContact CG2-CD2 4.02Å; V6-Y65 HydrophobicContact CG2-CE1 4.15Å; V6-Y65 HydrophobicContact CG2-CE2 3.76Å; V6-Y65 HydrophobicContact CG2-CG 4.29Å; V6-L131 HydrophobicContact CG2-CB 3.84Å; V6-D132 PolarHBondContact N-OD1 3.49Å; V6-A135 HydrophobicContact CG2-CB 4.38Å
7K91.9Very high88.1Confident147 Ų14780.2 Ų80.264%0.63942%0.424SS*.G310 helixtrans-77.8-18.3179.2-66.9-178-179.81780113.3T5 L66T5-K7 PolarHBondContact O-N 3.43Å; T5-K7 VanDerWaalsContact O-N 3.08Å; T5-K7 PolarHBondContact OG1-N 3.32Å; K7-L66 HydrophobicContact CD-CD2 4.42Å; K7-L66 HydrophobicContact CG-CD2 3.92Å
8D90.1Very high88.4Confident105 Ų10575.8 Ų75.856%0.56140%0.4SS*.G310 helixtrans-95.1-2-172.7-52.3-46.7000113V4 T5 V6V4-D8 HydrophobicContact CG1-CB 4.09Å; T5-D8 WeakPolarHBondContact CB-OD2 3.46Å; T5-D8 PolarHBondContact N-OD2 3.31Å; T5-D8 PolarHBondContact O-N 2.93Å; T5-D8 PolarHBondContact OG1-OD2 3.3Å; V6-D8 VanDerWaalsContact C-N 3.33Å
9V91Very high88.7Confident17 Ų1772.7 Ų72.710%0.10339%0.386CS..SBendtrans-115.2154.4-176.5-67.60000112.2V4 V6 Q11 F14 A135 A139V4-V9 HydrophobicContact CG1-CG1 3.83Å; V6-V9 WeakPolarHBondContact O-CG2 3.29Å; V9-Q11 PolarHBondContact O-N 3.29Å; V9-F14 HydrophobicContact CG2-CB 3.98Å; V9-F14 HydrophobicContact CG2-CD2 3.89Å; V9-F14 HydrophobicContact CG2-CG 4.14Å; V9-A135 HydrophobicContact CG1-CB 4.2Å; V9-A135 WeakPolarHBondContact CG1-O 3.48Å; V9-A135 HydrophobicContact CG2-CB 4.01Å; V9-A139 HydrophobicContact CG1-CB 4.03Å
10N92.1Very high89Confident74 Ų7472 Ų7240%0.39639%0.39SS..  trans-59.1124.4173.9-176-10.6000110.1Q12 E13 F14N10-Q12 VanDerWaalsContact C-N 3.33Å; N10-Q12 PolarHBondContact O-N 2.89Å; N10-Q12 PolarHBondContact OD1-N 3.42Å; N10-Q12 VanDerWaalsContact OD1-N 3.13Å; N10-E13 HydrophobicContact CB-CB 4.25Å; N10-E13 HydrophobicContact CB-CG 4.28Å; N10-E13 WeakPolarHBondContact CB-OE2 3.48Å; N10-E13 PolarHBondContact ND2-OE1 3.33Å; N10-E13 PolarHBondContact O-N 3.16Å; N10-F14 WeakPolarHBondContact O-CB 3.46Å; N10-F14 PolarHBondContact O-N 3.3Å
11Q91.6Very high89.1Confident106 Ų10672.6 Ų72.650%0.49539%0.389SS..Hα-helixtrans-58.8-41.2-176.8170.6169.7-23.100112.9V9 V15 R62V9-Q11 PolarHBondContact O-N 3.29Å; Q11-V15 WeakPolarHBondContact O-CG2 3.43Å; Q11-V15 PolarHBondContact O-N 3.44Å; Q11-V15 VanDerWaalsContact O-N 3.12Å; Q11-R62 VanDerWaalsContact OE1-NH2 3.12Å
12Q92.7Very high90.8Very high138 Ų13863 Ų6365%0.64534%0.342SS*.Hα-helixtrans-70.3-43.4-175.3-65.2-173.70.500111.4N10 V15 K16N10-Q12 VanDerWaalsContact C-N 3.33Å; N10-Q12 PolarHBondContact O-N 2.89Å; N10-Q12 PolarHBondContact OD1-N 3.42Å; N10-Q12 VanDerWaalsContact OD1-N 3.13Å; Q12-V15 PolarHBondContact O-N 3.12Å; Q12-K16 WeakPolarHBondContact O-CG 3.29Å; Q12-K16 PolarHBondContact O-N 3.41Å
13E92.3Very high92Very high68 Ų6862.9 Ų62.932%0.31833%0.33SS..Hα-helixtrans-65.9-41.7177.5-69.1161.2-155.600111.3N10 V15 K16 A17 V138 N142N10-E13 HydrophobicContact CB-CB 4.25Å; N10-E13 HydrophobicContact CB-CG 4.28Å; N10-E13 WeakPolarHBondContact CB-OE2 3.48Å; N10-E13 PolarHBondContact ND2-OE1 3.33Å; N10-E13 PolarHBondContact O-N 3.16Å; E13-V15 PolarHBondContact O-N 3.49Å; E13-K16 PolarHBondContact O-N 2.84Å; E13-A17 WeakPolarHBondContact O-CB 3.43Å; E13-A17 PolarHBondContact O-N 3.07Å; E13-V138 HydrophobicContact CB-CG1 4.15Å; E13-N142 PolarHBondContact OE2-ND2 3.3Å; E13-N142 PolarHBondContact OE2-OD1 3.01Å
14F94.6Very high92.5Very high0 Ų066.7 Ų66.70%033%0.333CS..Hα-helixtrans-59.5-45.2176.2179.9-97.5000112.4V6 V9 N10 K16 A17 L18 R62 L131 I134 A135V6-F14 HydrophobicContact CB-CZ 4.44Å; V6-F14 HydrophobicContact CG1-CD1 4.11Å; V6-F14 HydrophobicContact CG1-CE1 3.76Å; V6-F14 HydrophobicContact CG1-CE2 4.39Å; V6-F14 HydrophobicContact CG1-CZ 3.91Å; V6-F14 HydrophobicContact CG2-CE1 4.4Å; V6-F14 HydrophobicContact CG2-CE2 4.08Å; V6-F14 HydrophobicContact CG2-CZ 3.74Å; V9-F14 HydrophobicContact CG2-CB 3.98Å; V9-F14 HydrophobicContact CG2-CD2 3.89Å; V9-F14 HydrophobicContact CG2-CG 4.14Å; N10-F14 WeakPolarHBondContact O-CB 3.46Å; N10-F14 PolarHBondContact O-N 3.3Å; F14-K16 VanDerWaalsContact C-N 3.32Å; F14-K16 PolarHBondContact O-N 3.21Å; F14-A17 PolarHBondContact O-N 3.38Å; F14-L18 HydrophobicContact CE1-CD2 3.91Å; F14-L18 HydrophobicContact CZ-CD2 4.27Å; F14-L18 VanDerWaalsContact O-CB 3.29Å; F14-L18 WeakPolarHBondContact O-CB 3.45Å; F14-L18 PolarHBondContact O-N 2.93Å; F14-R62 HydrophobicContact CD1-CG 4.17Å; F14-R62 HydrophobicContact CE1-CB 4.24Å; F14-R62 HydrophobicContact CE1-CG 4.08Å; F14-L131 HydrophobicContact CE1-CD2 4.21Å; F14-L131 WeakPolarHBondContact CE2-O 3.48Å; F14-L131 HydrophobicContact CZ-CB 4.22Å; F14-L131 HydrophobicContact CZ-CD2 3.79Å; F14-I134 HydrophobicContact CD2-CG2 4.35Å; F14-I134 HydrophobicContact CE2-CB 4.23Å; F14-I134 HydrophobicContact CE2-CG2 3.95Å; F14-A135 HydrophobicContact CD2-CB 4.2Å; F14-A135 HydrophobicContact CE2-CB 3.94Å
15V95.3Very high92.5Very high19 Ų1966.6 Ų66.612%0.11533%0.334CS..Hα-helixtrans-63.9-39178.9171.30000111.3Q11 Q12 E13 S19 T55 A58Q11-V15 WeakPolarHBondContact O-CG2 3.43Å; Q11-V15 PolarHBondContact O-N 3.44Å; Q11-V15 VanDerWaalsContact O-N 3.12Å; Q12-V15 PolarHBondContact O-N 3.12Å; E13-V15 PolarHBondContact O-N 3.49Å; V15-S19 WeakPolarHBondContact O-CB 3.36Å; V15-S19 PolarHBondContact O-N 2.77Å; V15-S19 PolarHBondContact O-OG 2.78Å; V15-T55 HydrophobicContact CG1-CG2 4.12Å; V15-A58 HydrophobicContact CG1-CB 4.08Å
16K93.5Very high92.4Very high146 Ų14667.5 Ų67.564%0.63535%0.352SS*.Hα-helixtrans-66.1-42.7175.3-70.6176.1-179.9179.20112.1Q12 E13 F14 S19 A20Q12-K16 WeakPolarHBondContact O-CG 3.29Å; Q12-K16 PolarHBondContact O-N 3.41Å; E13-K16 PolarHBondContact O-N 2.84Å; F14-K16 VanDerWaalsContact C-N 3.32Å; F14-K16 PolarHBondContact O-N 3.21Å; K16-S19 PolarHBondContact O-N 2.9Å; K16-S19 PolarHBondContact O-OG 3.29Å; K16-A20 WeakPolarHBondContact O-CB 3.48Å; K16-A20 PolarHBondContact O-N 3.07Å; K16-A20 VanDerWaalsContact O-N 3.07Å
17A94.1Very high92.3Very high34 Ų3475 Ų7528%0.28138%0.384SS..Hα-helixtrans-65.5-43177.500000111.6E13 F14 A20 F21 I134 V138E13-A17 WeakPolarHBondContact O-CB 3.43Å; E13-A17 PolarHBondContact O-N 3.07Å; F14-A17 PolarHBondContact O-N 3.38Å; A17-A20 PolarHBondContact O-N 3.43Å; A17-F21 PolarHBondContact O-N 2.96Å; A17-I134 HydrophobicContact CB-CG2 4.28Å; A17-V138 HydrophobicContact CB-CG2 3.46Å; A17-V138 VanDerWaalsContact CB-CG2 3.46Å
18L93.5Very high92.3Very high0 Ų068.3 Ų68.30%036%0.356CS..Hα-helixtrans-67.2-38.5177.7-179.461.4000112F14 F21 L22 A58 A61 L131 I134F14-L18 HydrophobicContact CE1-CD2 3.91Å; F14-L18 HydrophobicContact CZ-CD2 4.27Å; F14-L18 VanDerWaalsContact O-CB 3.29Å; F14-L18 WeakPolarHBondContact O-CB 3.45Å; F14-L18 PolarHBondContact O-N 2.93Å; L18-F21 HydrophobicContact CD1-CD1 4.43Å; L18-F21 PolarHBondContact O-N 2.94Å; L18-L22 HydrophobicContact CD1-CG 4.42Å; L18-L22 HydrophobicContact CG-CD1 4.29Å; L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.31Å; L18-A58 HydrophobicContact CB-CB 3.9Å; L18-A58 HydrophobicContact CD2-CB 3.75Å; L18-A58 HydrophobicContact CG-CB 3.69Å; L18-A61 HydrophobicContact CD2-CB 4.32Å; L18-L131 HydrophobicContact CD1-CD2 3.83Å; L18-L131 HydrophobicContact CD2-CD2 3.39Å; L18-L131 HydrophobicContact CG-CD2 4.28Å; L18-I134 HydrophobicContact CD1-CD1 3.49Å; L18-I134 VanDerWaalsContact CD1-CD1 3.49Å
19S94.3Very high92.3Very high18 Ų1871.7 Ų71.713%0.12637%0.365CS..Hα-helixtrans-64.6-41.3175.571.40000111.5V15 K16 F21 L22 K23V15-S19 WeakPolarHBondContact O-CB 3.36Å; V15-S19 PolarHBondContact O-N 2.77Å; V15-S19 PolarHBondContact O-OG 2.78Å; K16-S19 PolarHBondContact O-N 2.9Å; K16-S19 PolarHBondContact O-OG 3.29Å; S19-F21 PolarHBondContact O-N 3.48Å; S19-L22 PolarHBondContact O-N 3.28Å; S19-K23 WeakPolarHBondContact O-CB 3.32Å; S19-K23 PolarHBondContact O-N 3.11Å
20A93.9Very high92.3Very high57 Ų5773.5 Ų73.547%0.47138%0.376SS..Hα-helixtrans-62-4117400000112.2K16 A17 K23 K24K16-A20 WeakPolarHBondContact O-CB 3.48Å; K16-A20 PolarHBondContact O-N 3.07Å; K16-A20 VanDerWaalsContact O-N 3.07Å; A17-A20 PolarHBondContact O-N 3.43Å; A20-K23 PolarHBondContact O-N 2.93Å; A20-K24 WeakPolarHBondContact O-CB 3.44Å; A20-K24 PolarHBondContact O-N 3.33Å
21F92.6Very high92.4Very high86 Ų8670.9 Ų70.938%0.37736%0.363SS..Hα-helixtrans-62-46.9174.6175.4-99.1000112.2A17 L18 S19 K23 K24 S25 I134A17-F21 PolarHBondContact O-N 2.96Å; L18-F21 HydrophobicContact CD1-CD1 4.43Å; L18-F21 PolarHBondContact O-N 2.94Å; S19-F21 PolarHBondContact O-N 3.48Å; F21-K23 VanDerWaalsContact C-N 3.31Å; F21-K23 PolarHBondContact O-N 3.45Å; F21-K24 PolarHBondContact O-N 3.37Å; F21-S25 WeakPolarHBondContact O-CB 3.44Å; F21-S25 PolarHBondContact O-N 3.14Å; F21-I134 HydrophobicContact CB-CD1 4.11Å; F21-I134 HydrophobicContact CD1-CD1 3.67Å; F21-I134 HydrophobicContact CD2-CD1 4.34Å; F21-I134 HydrophobicContact CE1-CD1 4.15Å; F21-I134 HydrophobicContact CG-CD1 3.77Å
22L92.5Very high92.4Very high2 Ų274.8 Ų74.81%0.0138%0.381CS..Hα-helixtrans-63.4-37.9178.3-70.9171.9000112L18 S19 L28 Y54 A57 A58 L110 M112L18-L22 HydrophobicContact CD1-CG 4.42Å; L18-L22 HydrophobicContact CG-CD1 4.29Å; L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.31Å; S19-L22 PolarHBondContact O-N 3.28Å; L22-L28 HydrophobicContact CB-CD1 4.34Å; L22-L28 HydrophobicContact CD1-CD1 4.2Å; L22-L28 HydrophobicContact CD2-CD1 4.06Å; L22-L28 HydrophobicContact CG-CD1 4.44Å; L22-Y54 HydrophobicContact CB-CD1 4.05Å; L22-A57 HydrophobicContact CD1-CB 4Å; L22-A58 HydrophobicContact CD1-CB 4.32Å; L22-L110 HydrophobicContact CD2-CD1 3.99Å; L22-M112 HydrophobicContact CD2-SD 4.06Å
23K93.3Very high92.4Very high106 Ų10670.9 Ų70.946%0.46136%0.361SS..Hα-helixtrans-65.2-48.5174.2-176.8173.9177.2171.50111.4S19 A20 F21 S25 G26 N51 Y54S19-K23 WeakPolarHBondContact O-CB 3.32Å; S19-K23 PolarHBondContact O-N 3.11Å; A20-K23 PolarHBondContact O-N 2.93Å; F21-K23 VanDerWaalsContact C-N 3.31Å; F21-K23 PolarHBondContact O-N 3.45Å; K23-S25 VanDerWaalsContact C-N 3.25Å; K23-S25 PolarHBondContact O-N 3.12Å; K23-G26 PolarHBondContact O-N 3.3Å; K23-G26 VanDerWaalsContact O-N 3.15Å; K23-N51 VanDerWaalsContact CE-OD1 3.29Å; K23-N51 WeakPolarHBondContact CE-OD1 3.36Å; K23-N51 VanDerWaalsContact NZ-CG 3.3Å; K23-N51 PolarHBondContact NZ-ND2 3Å; K23-N51 PolarHBondContact NZ-OD1 3.29Å; K23-Y54 HydrophobicContact CB-CD1 4.17Å; K23-Y54 HydrophobicContact CB-CD2 4.39Å; K23-Y54 HydrophobicContact CB-CE1 4.29Å; K23-Y54 HydrophobicContact CB-CG 4.21Å; K23-Y54 HydrophobicContact CG-CE2 4.35Å
24K93.2Very high92.4Very high191 Ų19169 Ų6983%0.8335%0.354SS*.Hα-helixtrans-62.6-32.1178.9-172174.3-177.9176.70112.8A20 F21 G26A20-K24 WeakPolarHBondContact O-CB 3.44Å; A20-K24 PolarHBondContact O-N 3.33Å; F21-K24 PolarHBondContact O-N 3.37Å; K24-G26 VanDerWaalsContact C-N 3.28Å; K24-G26 PolarHBondContact O-N 3.04Å
25S88.8Confident92.2Very high44 Ų4475 Ų7531%0.30839%0.386SS..Hα-helixtrans-64.5-31.4177-176.70000112.6F21 K23 K27F21-S25 WeakPolarHBondContact O-CB 3.44Å; F21-S25 PolarHBondContact O-N 3.14Å; K23-S25 VanDerWaalsContact C-N 3.25Å; K23-S25 PolarHBondContact O-N 3.12Å; S25-K27 WeakPolarHBondContact O-CG 3.48Å; S25-K27 PolarHBondContact O-N 2.96Å
26G88.5Confident92Very high60 Ų6079.1 Ų79.162%0.61941%0.411SS*.  trans65.4-7.117900000115.7K23 K24K23-G26 PolarHBondContact O-N 3.3Å; K23-G26 VanDerWaalsContact O-N 3.15Å; K24-G26 VanDerWaalsContact C-N 3.28Å; K24-G26 PolarHBondContact O-N 3.04Å
27K89.7Confident91.9Very high157 Ų15774.1 Ų74.168%0.68339%0.393SS*.  trans-84-12.4-176.1-67170.4-172-1790113.7S25 K29 L110S25-K27 WeakPolarHBondContact O-CG 3.48Å; S25-K27 PolarHBondContact O-N 2.96Å; K27-K29 PolarHBondContact O-N 3.18Å; K27-L110 HydrophobicContact CB-CD2 3.42Å; K27-L110 VanDerWaalsContact CB-CD2 3.42Å; K27-L110 WeakPolarHBondContact O-CD2 3.41Å
28L90.4Very high91.9Very high7 Ų777.1 Ų77.14%0.03740%0.4CS..SBendtrans-75114.7-177.7-168.8134.2000109.3L22 V30 F53 Y54 A57 A106 L110L22-L28 HydrophobicContact CB-CD1 4.34Å; L22-L28 HydrophobicContact CD1-CD1 4.2Å; L22-L28 HydrophobicContact CD2-CD1 4.06Å; L22-L28 HydrophobicContact CG-CD1 4.44Å; L28-V30 HydrophobicContact CD2-CG2 4.11Å; L28-V30 PolarHBondContact O-N 3.26Å; L28-F53 HydrophobicContact CD2-CD1 3.5Å; L28-F53 VanDerWaalsContact CD2-CD1 3.5Å; L28-F53 HydrophobicContact CD2-CE1 3.45Å; L28-F53 VanDerWaalsContact CD2-CE1 3.45Å; L28-Y54 HydrophobicContact CB-CE1 4.08Å; L28-Y54 HydrophobicContact CD2-CD1 3.99Å; L28-Y54 HydrophobicContact CD2-CE1 3.89Å; L28-A57 HydrophobicContact CD1-CB 3.9Å; L28-A106 HydrophobicContact CG-CB 4.31Å; L28-L110 HydrophobicContact CB-CD1 3.99Å; L28-L110 HydrophobicContact CD1-CD1 3.78Å; L28-L110 HydrophobicContact CG-CD1 4.16Å
29K90.1Very high91.9Very high176 Ų17678.6 Ų78.677%0.76541%0.408SS*.  trans-67.9104.6178.5-66.9-173.4177.9-175.10110.2K27K27-K29 PolarHBondContact O-N 3.18Å
30V92.1Very high92Very high54 Ų5478 Ų7833%0.32740%0.404SS..  trans-83.6129.7174.4-173.80000108.8L28 V34 F53 Y54L28-V30 HydrophobicContact CD2-CG2 4.11Å; L28-V30 PolarHBondContact O-N 3.26Å; V30-V34 HydrophobicContact CG1-CB 3.84Å; V30-V34 HydrophobicContact CG1-CG1 3.79Å; V30-V34 HydrophobicContact CG1-CG2 3.89Å; V30-F53 HydrophobicContact CB-CD1 4.41Å; V30-F53 HydrophobicContact CG1-CD1 4.14Å; V30-F53 HydrophobicContact CG1-CG 4.36Å; V30-F53 HydrophobicContact CG2-CD1 4.11Å; V30-Y54 HydrophobicContact CG2-CE1 4.24Å; V30-Y54 HydrophobicContact CG2-CE2 4.23Å; V30-Y54 WeakPolarHBondContact CG2-OH 3.5Å
31P92.9Very high91.9Very high20 Ų2084.4 Ų84.413%0.1342%0.416CS..  trans-64.1147.5173.7-20.632.3000111.9W33 V34 F53 K102P31-W33 VanDerWaalsContact C-N 3.29Å; P31-W33 HydrophobicContact CB-CD2 3.88Å; P31-W33 HydrophobicContact CB-CE3 4.38Å; P31-W33 HydrophobicContact CB-CG 4.34Å; P31-W33 HydrophobicContact CB-CH2 4.26Å; P31-W33 HydrophobicContact CB-CZ2 3.79Å; P31-W33 HydrophobicContact CG-CH2 4.12Å; P31-W33 HydrophobicContact CG-CZ2 3.91Å; P31-W33 PolarHBondContact O-N 3.13Å; P31-V34 WeakPolarHBondContact O-CB 3.28Å; P31-V34 PolarHBondContact O-N 2.96Å; P31-F53 HydrophobicContact CG-CE2 3.84Å; P31-F53 HydrophobicContact CG-CZ 3.79Å; P31-K102 HydrophobicContact CG-CB 3.9Å; P31-K102 HydrophobicContact CG-CG 4.1Å
32E93.1Very high92Very high187 Ų18781.2 Ų81.287%0.87440%0.402SS*.G310 helixtrans-58-39179.4-173.3178.8178.500113.1V34E32-V34 PolarHBondContact O-N 3.32Å; E32-V34 VanDerWaalsContact O-N 3.09Å
33W92.6Very high92.1Very high57 Ų5785.4 Ų85.422%0.21642%0.42CS..G310 helixtrans-76.28.6-176.349.9-107.3000115.4P31 D35 T36 V37 W52 N98 V99 K102P31-W33 VanDerWaalsContact C-N 3.29Å; P31-W33 HydrophobicContact CB-CD2 3.88Å; P31-W33 HydrophobicContact CB-CE3 4.38Å; P31-W33 HydrophobicContact CB-CG 4.34Å; P31-W33 HydrophobicContact CB-CH2 4.26Å; P31-W33 HydrophobicContact CB-CZ2 3.79Å; P31-W33 HydrophobicContact CG-CH2 4.12Å; P31-W33 HydrophobicContact CG-CZ2 3.91Å; P31-W33 PolarHBondContact O-N 3.13Å; W33-D35 PolarHBondContact O-N 3.37Å; W33-D35 VanDerWaalsContact O-N 3.15Å; W33-T36 PolarHBondContact O-N 3.19Å; W33-T36 VanDerWaalsContact O-N 3.16Å; W33-T36 PolarHBondContact O-OG1 3.27Å; W33-V37 HydrophobicContact CB-CG1 4.16Å; W33-V37 HydrophobicContact CD2-CG1 4.24Å; W33-V37 HydrophobicContact CE3-CB 4.22Å; W33-V37 HydrophobicContact CE3-CG1 3.77Å; W33-V37 HydrophobicContact CE3-CG2 3.4Å; W33-V37 VanDerWaalsContact CE3-CG2 3.4Å; W33-V37 HydrophobicContact CG-CG1 4.44Å; W33-V37 HydrophobicContact CZ3-CG2 3.57Å; W33-V37 PolarHBondContact O-N 2.92Å; W33-W52 HydrophobicContact CZ3-CH2 4.11Å; W33-W52 HydrophobicContact CZ3-CZ2 4.41Å; W33-N98 WeakPolarHBondContact CZ2-ND2 3.42Å; W33-V99 HydrophobicContact CH2-CB 4.44Å; W33-V99 HydrophobicContact CH2-CG2 3.83Å; W33-V99 HydrophobicContact CZ3-CG2 3.94Å; W33-K102 HydrophobicContact CH2-CB 4.49Å; W33-K102 HydrophobicContact CH2-CG 4.38Å; W33-K102 HydrophobicContact CZ2-CB 4.22Å; W33-K102 HydrophobicContact CZ2-CG 3.66Å
34V92Very high92Very high27 Ų2788.1 Ų88.116%0.16444%0.435CS..G310 helixtrans-59-29.3-169.169.50000114.2V30 P31 E32 W52 F53V30-V34 HydrophobicContact CG1-CB 3.84Å; V30-V34 HydrophobicContact CG1-CG1 3.79Å; V30-V34 HydrophobicContact CG1-CG2 3.89Å; P31-V34 WeakPolarHBondContact O-CB 3.28Å; P31-V34 PolarHBondContact O-N 2.96Å; E32-V34 PolarHBondContact O-N 3.32Å; E32-V34 VanDerWaalsContact O-N 3.09Å; V34-W52 HydrophobicContact CB-CZ2 4.47Å; V34-W52 HydrophobicContact CG2-CH2 4.43Å; V34-W52 HydrophobicContact CG2-CZ2 3.6Å; V34-W52 WeakPolarHBondContact O-CZ2 3.32Å; V34-W52 PolarHBondContact O-NE1 3.4Å; V34-F53 HydrophobicContact CG2-CB 3.75Å; V34-F53 HydrophobicContact CG2-CD2 4.44Å; V34-F53 HydrophobicContact CG2-CG 4.3Å
35D89.5Confident92Very high126 Ų12686 Ų8667%0.67443%0.431SS*.G310 helixtrans-86.5-27.5-179.157.5-14.9000113.4W33W33-D35 PolarHBondContact O-N 3.37Å; W33-D35 VanDerWaalsContact O-N 3.15Å
36T90.4Very high92.2Very high106 Ų10686.3 Ų86.365%0.6544%0.437SS*.THydrogen-bonded Turntrans-87.1-24-175.4600000114.5W33W33-T36 PolarHBondContact O-N 3.19Å; W33-T36 VanDerWaalsContact O-N 3.16Å; W33-T36 PolarHBondContact O-OG1 3.27Å
37V93.3Very high92.4Very high41 Ų4185 Ų8525%0.24842%0.417CS..  trans-96.8152.3-166.5-580000114.2W33 W52W33-V37 HydrophobicContact CB-CG1 4.16Å; W33-V37 HydrophobicContact CD2-CG1 4.24Å; W33-V37 HydrophobicContact CE3-CB 4.22Å; W33-V37 HydrophobicContact CE3-CG1 3.77Å; W33-V37 HydrophobicContact CE3-CG2 3.4Å; W33-V37 VanDerWaalsContact CE3-CG2 3.4Å; W33-V37 HydrophobicContact CG-CG1 4.44Å; W33-V37 HydrophobicContact CZ3-CG2 3.57Å; W33-V37 PolarHBondContact O-N 2.92Å; V37-W52 HydrophobicContact CG2-CH2 4.41Å; V37-W52 HydrophobicContact CG2-CZ2 4.02Å
38K93.6Very high92.6Very high98 Ų9884 Ų8443%0.42643%0.429SS..  trans-88.7153.2158.757.4175.7175.5-177.20112.4A40 K43K38-A40 VanDerWaalsContact C-N 3.34Å; K38-A40 WeakPolarHBondContact CD-O 3.38Å; K38-A40 PolarHBondContact O-N 3.42Å; K38-K43 WeakPolarHBondContact CD-O 3.5Å; K38-K43 PolarHBondContact NZ-O 2.75Å
39L93.8Very high92.6Very high31 Ų3187.1 Ų87.116%0.16245%0.445CS..SBendtrans-72.8-22.7-174-65.3169.8000114.8P47 W52 S96L39-P47 HydrophobicContact CD1-CB 4.44Å; L39-P47 HydrophobicContact CD1-CG 3.53Å; L39-P47 HydrophobicContact CD2-CG 3.94Å; L39-P47 HydrophobicContact CG-CG 3.55Å; L39-W52 HydrophobicContact CD2-CD2 3.97Å; L39-W52 HydrophobicContact CD2-CE3 3.38Å; L39-W52 HydrophobicContact CD2-CH2 3.7Å; L39-W52 HydrophobicContact CD2-CZ2 4.25Å; L39-W52 HydrophobicContact CD2-CZ3 3.24Å; L39-S96 WeakPolarHBondContact O-CB 3.36Å; L39-S96 PolarHBondContact O-N 3.04Å
40A94.8Very high92.5Very high6 Ų685.5 Ų85.55%0.0545%0.445CS..BIsolated β-bridgetrans-162.1162.4-177.800000110.8K38 H42 K43K38-A40 VanDerWaalsContact C-N 3.34Å; K38-A40 WeakPolarHBondContact CD-O 3.38Å; K38-A40 PolarHBondContact O-N 3.42Å; A40-H42 WeakPolarHBondContact CB-CE1 3.49Å; A40-H42 VanDerWaalsContact CB-ND1 3.34Å; A40-H42 WeakPolarHBondContact CB-ND1 3.4Å; A40-H42 PolarHBondContact O-N 3.46Å; A40-K43 HydrophobicContact CB-CG 4.35Å; A40-K43 PolarHBondContact O-N 3.03Å; A40-K43 VanDerWaalsContact O-N 3.16Å
41R92.9Very high92.4Very high190 Ų19085.2 Ų85.272%0.71744%0.441SS*.THydrogen-bonded Turntrans-57.6-38.6174.9-176.7-176.6-179.4-154.32112.1K43R41-K43 PolarHBondContact O-N 3.29Å
42H94.4Very high92.5Very high19 Ų1985.1 Ų85.19%0.08844%0.439CS..THydrogen-bonded Turntrans-77.70.1-177.773.3-98.2000114.6A40 G81 Q83 S93A40-H42 WeakPolarHBondContact CB-CE1 3.49Å; A40-H42 VanDerWaalsContact CB-ND1 3.34Å; A40-H42 WeakPolarHBondContact CB-ND1 3.4Å; A40-H42 PolarHBondContact O-N 3.46Å; H42-G81 PolarHBondContact CE1-N 3.25Å; H42-Q83 HydrophobicContact CB-CB 3.56Å; H42-Q83 HydrophobicContact CB-CG 3.85Å; H42-S93 PolarHBondContact ND1-O 3.05Å
43K94.4Very high92.6Very high91 Ų9176.3 Ų76.340%0.39640%0.397SS..  trans-96.5142.7169-60.9-52.9-172.4-139.20108.8K38 A40 R41K38-K43 WeakPolarHBondContact CD-O 3.5Å; K38-K43 PolarHBondContact NZ-O 2.75Å; A40-K43 HydrophobicContact CB-CG 4.35Å; A40-K43 PolarHBondContact O-N 3.03Å; A40-K43 VanDerWaalsContact O-N 3.16Å; R41-K43 PolarHBondContact O-N 3.29Å
44E92.1Very high92.7Very high163 Ų16375.5 Ų75.576%0.76240%0.395SS*.SBendtrans-95.2-42.3176.7-68.1173.1-171.400110.1
45L92.7Very high92.9Very high145 Ų14576.6 Ų76.676%0.75940%0.401SS*.SBendtrans-102.9157.9-179.8-59.2175.3000112.6
46A92.4Very high93.2Very high51 Ų5173 Ų7342%0.42138%0.378SS..PPolyproline II helixtrans-69.2162168.200000111
47P94.3Very high93.4Very high32 Ų3267.9 Ų67.921%0.20835%0.347CS..PPolyproline II helixtrans-59.3138.2172.5-22.636.2000111.6L39 D49 W52L39-P47 HydrophobicContact CD1-CB 4.44Å; L39-P47 HydrophobicContact CD1-CG 3.53Å; L39-P47 HydrophobicContact CD2-CG 3.94Å; L39-P47 HydrophobicContact CG-CG 3.55Å; P47-D49 VanDerWaalsContact C-N 3.29Å; P47-D49 PolarHBondContact O-N 3.01Å; P47-W52 HydrophobicContact CB-CB 3.63Å; P47-W52 HydrophobicContact CB-CD2 4.47Å; P47-W52 HydrophobicContact CB-CG 3.67Å; P47-W52 HydrophobicContact CG-CB 4.02Å; P47-W52 HydrophobicContact CG-CD2 3.91Å; P47-W52 HydrophobicContact CG-CG 3.62Å
48C92.4Very high93.5Very high137 Ų13766 Ų6693%0.92634%0.335SS*.SBendtrans-73.1-20.4177.5-50.50000113.8
49D90.1Very high93.6Very high72 Ų7263 Ų6339%0.38533%0.327SS..  trans-93.8118.5177.3173.519.4000109.4P47 N51 W52P47-D49 VanDerWaalsContact C-N 3.29Å; P47-D49 PolarHBondContact O-N 3.01Å; D49-N51 PolarHBondContact O-N 3.35Å; D49-N51 VanDerWaalsContact O-N 3.11Å; D49-N51 WeakPolarHBondContact OD1-CB 3.4Å; D49-N51 PolarHBondContact OD1-N 2.98Å; D49-N51 PolarHBondContact OD1-ND2 2.89Å; D49-W52 VanDerWaalsContact O-CB 3.23Å; D49-W52 WeakPolarHBondContact O-CB 3.37Å; D49-W52 VanDerWaalsContact O-CD1 3.26Å; D49-W52 PolarHBondContact O-N 3.43Å
50D88.3Confident93.7Very high142 Ų14261.7 Ų61.776%0.75932%0.32SS*.THydrogen-bonded Turntrans-57.6-26.9176.1-57.6-24.6000112.1W52D50-W52 VanDerWaalsContact C-N 3.28Å; D50-W52 PolarHBondContact O-N 3.49Å
51N90.9Very high93.6Very high48 Ų4861.5 Ų61.526%0.25732%0.319SS..THydrogen-bonded Turntrans-91.417.2-179.5-52.9-77.4000112.9K23 D49 F53 Y54 T55K23-N51 VanDerWaalsContact CE-OD1 3.29Å; K23-N51 WeakPolarHBondContact CE-OD1 3.36Å; K23-N51 VanDerWaalsContact NZ-CG 3.3Å; K23-N51 PolarHBondContact NZ-ND2 3Å; K23-N51 PolarHBondContact NZ-OD1 3.29Å; D49-N51 PolarHBondContact O-N 3.35Å; D49-N51 VanDerWaalsContact O-N 3.11Å; D49-N51 WeakPolarHBondContact OD1-CB 3.4Å; D49-N51 PolarHBondContact OD1-N 2.98Å; D49-N51 PolarHBondContact OD1-ND2 2.89Å; N51-F53 PolarHBondContact O-N 3.5Å; N51-Y54 HydrophobicContact CB-CD2 4.01Å; N51-Y54 PolarHBondContact O-N 3.34Å; N51-T55 PolarHBondContact O-N 2.94Å
52W94.4Very high93.7Very high18 Ų1853.8 Ų53.87%0.06829%0.29CS..Hα-helixtrans-55.2-30.1-176.469.4-96.9000113.1W33 V34 V37 L39 P47 D49 D50 T55 R56 V99W33-W52 HydrophobicContact CZ3-CH2 4.11Å; W33-W52 HydrophobicContact CZ3-CZ2 4.41Å; V34-W52 HydrophobicContact CB-CZ2 4.47Å; V34-W52 HydrophobicContact CG2-CH2 4.43Å; V34-W52 HydrophobicContact CG2-CZ2 3.6Å; V34-W52 WeakPolarHBondContact O-CZ2 3.32Å; V34-W52 PolarHBondContact O-NE1 3.4Å; V37-W52 HydrophobicContact CG2-CH2 4.41Å; V37-W52 HydrophobicContact CG2-CZ2 4.02Å; L39-W52 HydrophobicContact CD2-CD2 3.97Å; L39-W52 HydrophobicContact CD2-CE3 3.38Å; L39-W52 HydrophobicContact CD2-CH2 3.7Å; L39-W52 HydrophobicContact CD2-CZ2 4.25Å; L39-W52 HydrophobicContact CD2-CZ3 3.24Å; P47-W52 HydrophobicContact CB-CB 3.63Å; P47-W52 HydrophobicContact CB-CD2 4.47Å; P47-W52 HydrophobicContact CB-CG 3.67Å; P47-W52 HydrophobicContact CG-CB 4.02Å; P47-W52 HydrophobicContact CG-CD2 3.91Å; P47-W52 HydrophobicContact CG-CG 3.62Å; D49-W52 VanDerWaalsContact O-CB 3.23Å; D49-W52 WeakPolarHBondContact O-CB 3.37Å; D49-W52 VanDerWaalsContact O-CD1 3.26Å; D49-W52 PolarHBondContact O-N 3.43Å; D50-W52 VanDerWaalsContact C-N 3.28Å; D50-W52 PolarHBondContact O-N 3.49Å; W52-T55 PolarHBondContact O-N 3.15Å; W52-R56 HydrophobicContact CE3-CB 4.28Å; W52-R56 HydrophobicContact CZ3-CB 4.45Å; W52-R56 WeakPolarHBondContact O-CB 3.39Å; W52-R56 PolarHBondContact O-N 2.88Å; W52-V99 HydrophobicContact CH2-CG1 3.93Å; W52-V99 HydrophobicContact CH2-CG2 4.2Å; W52-V99 HydrophobicContact CZ3-CG1 3.69Å
53F95.3Very high93.8Very high2 Ų255 Ų551%0.00930%0.295CS..Hα-helixtrans-65.7-38.7180-167.1-102.6000112L28 V30 P31 V34 N51 R56 A57 K102 V103 A106L28-F53 HydrophobicContact CD2-CD1 3.5Å; L28-F53 VanDerWaalsContact CD2-CD1 3.5Å; L28-F53 HydrophobicContact CD2-CE1 3.45Å; L28-F53 VanDerWaalsContact CD2-CE1 3.45Å; V30-F53 HydrophobicContact CB-CD1 4.41Å; V30-F53 HydrophobicContact CG1-CD1 4.14Å; V30-F53 HydrophobicContact CG1-CG 4.36Å; V30-F53 HydrophobicContact CG2-CD1 4.11Å; P31-F53 HydrophobicContact CG-CE2 3.84Å; P31-F53 HydrophobicContact CG-CZ 3.79Å; V34-F53 HydrophobicContact CG2-CB 3.75Å; V34-F53 HydrophobicContact CG2-CD2 4.44Å; V34-F53 HydrophobicContact CG2-CG 4.3Å; N51-F53 PolarHBondContact O-N 3.5Å; F53-R56 PolarHBondContact O-N 3.09Å; F53-A57 WeakPolarHBondContact O-CB 3.23Å; F53-A57 PolarHBondContact O-N 3.48Å; F53-K102 HydrophobicContact CZ-CB 4.47Å; F53-V103 HydrophobicContact CD2-CG2 4.08Å; F53-V103 HydrophobicContact CE2-CG2 3.47Å; F53-V103 VanDerWaalsContact CE2-CG2 3.47Å; F53-V103 HydrophobicContact CZ-CG2 3.8Å; F53-A106 HydrophobicContact CE1-CB 4.35Å; F53-A106 HydrophobicContact CZ-CB 4.48Å
54Y95.4Very high93.7Very high41 Ų4150.9 Ų50.916%0.16128%0.278CS..Hα-helixtrans-67.9-42174.4-60.8-79.4000111.3L22 K23 L28 V30 N51 R56 A57 A58L22-Y54 HydrophobicContact CB-CD1 4.05Å; K23-Y54 HydrophobicContact CB-CD1 4.17Å; K23-Y54 HydrophobicContact CB-CD2 4.39Å; K23-Y54 HydrophobicContact CB-CE1 4.29Å; K23-Y54 HydrophobicContact CB-CG 4.21Å; K23-Y54 HydrophobicContact CG-CE2 4.35Å; L28-Y54 HydrophobicContact CB-CE1 4.08Å; L28-Y54 HydrophobicContact CD2-CD1 3.99Å; L28-Y54 HydrophobicContact CD2-CE1 3.89Å; V30-Y54 HydrophobicContact CG2-CE1 4.24Å; V30-Y54 HydrophobicContact CG2-CE2 4.23Å; V30-Y54 WeakPolarHBondContact CG2-OH 3.5Å; N51-Y54 HydrophobicContact CB-CD2 4.01Å; N51-Y54 PolarHBondContact O-N 3.34Å; Y54-R56 VanDerWaalsContact C-N 3.3Å; Y54-R56 PolarHBondContact O-N 2.92Å; Y54-A57 PolarHBondContact O-N 3.2Å; Y54-A58 WeakPolarHBondContact O-CB 3.29Å; Y54-A58 PolarHBondContact O-N 3.16Å
55T95.6Very high93.8Very high49 Ų4945 Ų4530%0.30125%0.249SC..Hα-helixtrans-62.4-39.1175-580000111.3V15 N51 W52 A58 S59V15-T55 HydrophobicContact CG1-CG2 4.12Å; N51-T55 PolarHBondContact O-N 2.94Å; W52-T55 PolarHBondContact O-N 3.15Å; T55-A58 PolarHBondContact O-N 3.31Å; T55-S59 WeakPolarHBondContact O-CB 3.38Å; T55-S59 PolarHBondContact O-N 2.92Å
56R95.1Very high93.8Very high50 Ų5041.9 Ų41.919%0.18923%0.232CC..Hα-helixtrans-65.1-43.8174.4-172.765.761.4178.7-3.1111.6W52 F53 Y54 S59 T60 Y79 V99 V103W52-R56 HydrophobicContact CE3-CB 4.28Å; W52-R56 HydrophobicContact CZ3-CB 4.45Å; W52-R56 WeakPolarHBondContact O-CB 3.39Å; W52-R56 PolarHBondContact O-N 2.88Å; F53-R56 PolarHBondContact O-N 3.09Å; Y54-R56 VanDerWaalsContact C-N 3.3Å; Y54-R56 PolarHBondContact O-N 2.92Å; R56-S59 PolarHBondContact O-N 3.41Å; R56-T60 WeakPolarHBondContact O-CB 3.47Å; R56-T60 PolarHBondContact O-N 3.01Å; R56-T60 PolarHBondContact O-OG1 3.11Å; R56-Y79 VanDerWaalsContact NH1-CE1 3.26Å; R56-V99 HydrophobicContact CG-CG1 4.38Å; R56-V103 HydrophobicContact CB-CG2 4.35Å; R56-V103 HydrophobicContact CG-CG2 3.76Å
57A95.4Very high93.7Very high0 Ų047.3 Ų47.30%024%0.242CC..Hα-helixtrans-63-44.4176.500000111.9L22 L28 F53 Y54 T60 A61 V103 L107L22-A57 HydrophobicContact CD1-CB 4Å; L28-A57 HydrophobicContact CD1-CB 3.9Å; F53-A57 WeakPolarHBondContact O-CB 3.23Å; F53-A57 PolarHBondContact O-N 3.48Å; Y54-A57 PolarHBondContact O-N 3.2Å; A57-T60 WeakPolarHBondContact O-CB 3.39Å; A57-T60 PolarHBondContact O-N 3.31Å; A57-A61 WeakPolarHBondContact O-CB 3.43Å; A57-A61 PolarHBondContact O-N 2.88Å; A57-V103 HydrophobicContact CB-CG1 4.02Å; A57-L107 HydrophobicContact CB-CD2 4.31Å
58A95.6Very high93.4Very high0 Ų047.8 Ų47.80%025%0.253CS..Hα-helixtrans-60.4-47.5175.700000112.2V15 L18 L22 Y54 T55 T60 A61 R62V15-A58 HydrophobicContact CG1-CB 4.08Å; L18-A58 HydrophobicContact CB-CB 3.9Å; L18-A58 HydrophobicContact CD2-CB 3.75Å; L18-A58 HydrophobicContact CG-CB 3.69Å; L22-A58 HydrophobicContact CD1-CB 4.32Å; Y54-A58 WeakPolarHBondContact O-CB 3.29Å; Y54-A58 PolarHBondContact O-N 3.16Å; T55-A58 PolarHBondContact O-N 3.31Å; A58-T60 VanDerWaalsContact C-N 3.27Å; A58-T60 PolarHBondContact O-N 3.02Å; A58-A61 PolarHBondContact O-N 3.03Å; A58-R62 WeakPolarHBondContact O-CB 3.34Å; A58-R62 PolarHBondContact O-N 3.39Å
59S95.5Very high93.2Very high37 Ų3743 Ų4326%0.25923%0.227SC..Hα-helixtrans-59.8-39174.9175.90000111.9T55 R56 H63 Y79T55-S59 WeakPolarHBondContact O-CB 3.38Å; T55-S59 PolarHBondContact O-N 2.92Å; R56-S59 PolarHBondContact O-N 3.41Å; S59-H63 PolarHBondContact O-N 2.92Å; S59-Y79 VanDerWaalsContact CB-OH 3.26Å; S59-Y79 WeakPolarHBondContact CB-OH 3.44Å; S59-Y79 PolarHBondContact OG-OH 2.96Å
60T95.3Very high93.2Very high2 Ų239.8 Ų39.81%0.01221%0.21CC..Hα-helixtrans-67.6-46.6179.4-57.80000112.2R56 A57 A58 R62 H63 L64 M75 Y79 V103 L104 L107R56-T60 WeakPolarHBondContact O-CB 3.47Å; R56-T60 PolarHBondContact O-N 3.01Å; R56-T60 PolarHBondContact O-OG1 3.11Å; A57-T60 WeakPolarHBondContact O-CB 3.39Å; A57-T60 PolarHBondContact O-N 3.31Å; A58-T60 VanDerWaalsContact C-N 3.27Å; A58-T60 PolarHBondContact O-N 3.02Å; T60-R62 VanDerWaalsContact C-N 3.34Å; T60-R62 PolarHBondContact O-N 2.89Å; T60-H63 PolarHBondContact O-N 3.47Å; T60-L64 HydrophobicContact CG2-CD1 4.36Å; T60-L64 PolarHBondContact O-N 3.44Å; T60-M75 HydrophobicContact CG2-CE 3.52Å; T60-M75 VanDerWaalsContact OG1-CE 3.28Å; T60-M75 WeakPolarHBondContact OG1-CE 3.44Å; T60-Y79 PolarHBondContact N-OH 3.35Å; T60-Y79 PolarHBondContact OG1-OH 3.48Å; T60-V103 HydrophobicContact CG2-CG1 4.05Å; T60-V103 WeakPolarHBondContact OG1-CG1 3.46Å; T60-L104 HydrophobicContact CG2-CD2 3.41Å; T60-L104 VanDerWaalsContact CG2-CD2 3.41Å; T60-L104 HydrophobicContact CG2-CG 4.12Å; T60-L107 HydrophobicContact CG2-CD1 3.98Å
61A94.1Very high93.4Very high2 Ų234.2 Ų34.22%0.01719%0.186CC..Hα-helixtrans-60.9-43.7176.200000111.2L18 A57 A58 H63 L64 Y65 L107 L123 L131L18-A61 HydrophobicContact CD2-CB 4.32Å; A57-A61 WeakPolarHBondContact O-CB 3.43Å; A57-A61 PolarHBondContact O-N 2.88Å; A58-A61 PolarHBondContact O-N 3.03Å; A61-H63 VanDerWaalsContact C-N 3.33Å; A61-H63 PolarHBondContact O-N 3.25Å; A61-L64 PolarHBondContact O-N 3.44Å; A61-Y65 PolarHBondContact O-N 2.95Å; A61-L107 HydrophobicContact CB-CD1 4.33Å; A61-L123 VanDerWaalsContact O-CD1 3.24Å; A61-L123 WeakPolarHBondContact O-CD1 3.4Å; A61-L131 HydrophobicContact CB-CD2 4.4Å
62R94.9Very high93.5Very high29 Ų2933.2 Ų33.211%0.10918%0.182CC..Hα-helixtrans-61.6-41.3175.7-168.2-168.7170.8-77.93.6112.2V6 Q11 F14 A58 T60 L64 Y65 L66V6-R62 HydrophobicContact CG1-CG 3.95Å; Q11-R62 VanDerWaalsContact OE1-NH2 3.12Å; F14-R62 HydrophobicContact CD1-CG 4.17Å; F14-R62 HydrophobicContact CE1-CB 4.24Å; F14-R62 HydrophobicContact CE1-CG 4.08Å; A58-R62 WeakPolarHBondContact O-CB 3.34Å; A58-R62 PolarHBondContact O-N 3.39Å; T60-R62 VanDerWaalsContact C-N 3.34Å; T60-R62 PolarHBondContact O-N 2.89Å; R62-L64 VanDerWaalsContact C-N 3.33Å; R62-Y65 WeakPolarHBondContact O-CB 3.33Å; R62-Y65 PolarHBondContact O-N 3.24Å; R62-L66 PolarHBondContact O-N 2.97Å
63H94.6Very high93.5Very high43 Ų4334.2 Ų34.220%0.19920%0.197CC..Hα-helixtrans-62.9-43177.5-172.1-72000111.4S59 T60 A61 Y65 L66 R67 M75 I78S59-H63 PolarHBondContact O-N 2.92Å; T60-H63 PolarHBondContact O-N 3.47Å; A61-H63 VanDerWaalsContact C-N 3.33Å; A61-H63 PolarHBondContact O-N 3.25Å; H63-Y65 VanDerWaalsContact C-N 3.26Å; H63-Y65 PolarHBondContact O-N 3.33Å; H63-L66 PolarHBondContact O-N 3.31Å; H63-R67 PolarHBondContact O-N 2.92Å; H63-M75 HydrophobicContact CB-CE 4.21Å; H63-I78 WeakPolarHBondContact CE1-CD1 3.47Å; H63-I78 WeakPolarHBondContact NE2-CD1 3.33Å
64L93.6Very high93.4Very high6 Ų635.7 Ų35.73%0.03121%0.21CC..Hα-helixtrans-63.1-31.6176.6-75169.5000113T60 A61 R62 R67 G68 V70 L104 V113 R121 L123T60-L64 HydrophobicContact CG2-CD1 4.36Å; T60-L64 PolarHBondContact O-N 3.44Å; A61-L64 PolarHBondContact O-N 3.44Å; R62-L64 VanDerWaalsContact C-N 3.33Å; L64-R67 CarbonylContact O-C 3.46Å; L64-G68 PolarHBondContact O-N 3.09Å; L64-V70 HydrophobicContact CD2-CB 3.92Å; L64-L104 HydrophobicContact CD1-CD2 3.85Å; L64-V113 HydrophobicContact CD1-CB 4.48Å; L64-V113 HydrophobicContact CD1-CG1 3.91Å; L64-V113 HydrophobicContact CD1-CG2 3.64Å; L64-R121 HydrophobicContact CD2-CB 4.21Å; L64-R121 VanDerWaalsContact CD2-O 3.22Å; L64-R121 WeakPolarHBondContact CD2-O 3.27Å; L64-L123 HydrophobicContact CB-CD1 3.81Å
65Y94Very high93.4Very high39 Ų3934 Ų3415%0.15320%0.203CC..Hα-helixtrans-64.4-43.9173.8-175.8-80.5000111.8V6 A61 R62 H63 Q128 L131 D132V6-Y65 HydrophobicContact CB-CD1 3.98Å; V6-Y65 HydrophobicContact CB-CE1 3.76Å; V6-Y65 HydrophobicContact CB-CE2 4.3Å; V6-Y65 HydrophobicContact CB-CG 4.39Å; V6-Y65 HydrophobicContact CG1-CD1 4.34Å; V6-Y65 HydrophobicContact CG2-CD1 4.33Å; V6-Y65 HydrophobicContact CG2-CD2 4.02Å; V6-Y65 HydrophobicContact CG2-CE1 4.15Å; V6-Y65 HydrophobicContact CG2-CE2 3.76Å; V6-Y65 HydrophobicContact CG2-CG 4.29Å; A61-Y65 PolarHBondContact O-N 2.95Å; R62-Y65 WeakPolarHBondContact O-CB 3.33Å; R62-Y65 PolarHBondContact O-N 3.24Å; H63-Y65 VanDerWaalsContact C-N 3.26Å; H63-Y65 PolarHBondContact O-N 3.33Å; Y65-Q128 HydrophobicContact CD2-CG 4.11Å; Y65-Q128 HydrophobicContact CE2-CG 3.65Å; Y65-L131 HydrophobicContact CD2-CB 4.38Å; Y65-L131 HydrophobicContact CD2-CD1 3.84Å; Y65-L131 HydrophobicContact CG-CD1 4.38Å; Y65-D132 WeakPolarHBondContact CE2-OD1 3.32Å; Y65-D132 PolarHBondContact OH-OD1 3.28Å
66L92.3Very high93.4Very high80 Ų8032 Ų3242%0.41919%0.191SC..Hα-helixtrans-75.8-41.4-179.1-68.8-175.9000112.8K7 R62 H63K7-L66 HydrophobicContact CD-CD2 4.42Å; K7-L66 HydrophobicContact CG-CD2 3.92Å; R62-L66 PolarHBondContact O-N 2.97Å; H63-L66 PolarHBondContact O-N 3.31Å
67R90.3Very high93.5Very high164 Ų16436.6 Ų36.662%0.61921%0.212SC*.SBendtrans-136.9101.7-178.3-168.6172.4-172.6-100.5-0.4108.5H63 L64 V70H63-R67 PolarHBondContact O-N 2.92Å; L64-R67 CarbonylContact O-C 3.46Å; R67-V70 HydrophobicContact CG-CG2 4.35Å; R67-V70 WeakPolarHBondContact O-CG2 3.44Å
68G87.7Confident93.4Very high43 Ų4340.2 Ų40.244%0.44323%0.231SC..  trans-71.8177.1172.100000112.7L64 V70L64-G68 PolarHBondContact O-N 3.09Å; G68-V70 VanDerWaalsContact C-N 3.3Å; G68-V70 PolarHBondContact O-N 3.31Å
69G88.3Confident93.5Very high37 Ų3742.1 Ų42.138%0.38124%0.238SC..SBendtrans7024.3179.300000113.8R121G69-R121 WeakPolarHBondContact CA-O 3.44Å; G69-R121 PolarHBondContact N-O 3.02Å
70V90.4Very high93.5Very high4 Ų441.4 Ų41.42%0.02424%0.236CC..  trans-94.9121.1-172.8179.90000110.4L64 R67 G68 A74 I78 R121L64-V70 HydrophobicContact CD2-CB 3.92Å; R67-V70 HydrophobicContact CG-CG2 4.35Å; R67-V70 WeakPolarHBondContact O-CG2 3.44Å; G68-V70 VanDerWaalsContact C-N 3.3Å; G68-V70 PolarHBondContact O-N 3.31Å; V70-A74 HydrophobicContact CG1-CB 3.67Å; V70-I78 HydrophobicContact CG1-CD1 4.48Å; V70-R121 PolarHBondContact N-O 3.25Å; V70-R121 VanDerWaalsContact N-O 3.16Å; V70-R121 PolarHBondContact O-N 3.42Å
71G92.3Very high93.5Very high25 Ų2542 Ų4226%0.25824%0.244SC..  trans-89.8176.1173.600000113.8G73 A74 M75G71-G73 PolarHBondContact O-N 3.33Å; G71-A74 PolarHBondContact O-N 2.9Å; G71-M75 PolarHBondContact O-N 3.37Å
72V94.2Very high93.6Very high27 Ų2751.6 Ų51.616%0.16428%0.279CS..Hα-helixtrans-57.7-38.4176.9-1740000111.5A74 M75 I76 R97 A100 R101 L104V72-A74 PolarHBondContact O-N 2.87Å; V72-M75 PolarHBondContact O-N 3.25Å; V72-M75 VanDerWaalsContact O-N 3.16Å; V72-I76 PolarHBondContact O-N 3.44Å; V72-I76 VanDerWaalsContact O-N 3.07Å; V72-R97 HydrophobicContact CG1-CG 3.7Å; V72-A100 HydrophobicContact CG1-CB 3.91Å; V72-R101 HydrophobicContact CG1-CB 4.39Å; V72-R101 HydrophobicContact CG2-CB 4.38Å; V72-L104 HydrophobicContact CG2-CD1 4.1Å
73G94.1Very high93.7Very high38 Ų3851.5 Ų51.539%0.39228%0.28SS..Hα-helixtrans-64.8-33.4-179.200000114.4G71 I76G71-G73 PolarHBondContact O-N 3.33Å; G73-I76 WeakPolarHBondContact O-CG1 3.42Å
74A93.8Very high93.7Very high34 Ų3458.6 Ų58.628%0.28131%0.305SS..Hα-helixtrans-74.4-37.4172.800000110.7V70 G71 V72 I76 K77 I78V70-A74 HydrophobicContact CG1-CB 3.67Å; G71-A74 PolarHBondContact O-N 2.9Å; V72-A74 PolarHBondContact O-N 2.87Å; A74-I76 PolarHBondContact O-N 2.94Å; A74-K77 WeakPolarHBondContact O-CB 3.5Å; A74-K77 PolarHBondContact O-N 3.21Å; A74-I78 WeakPolarHBondContact O-CD1 3.5Å; A74-I78 WeakPolarHBondContact O-CG1 3.45Å; A74-I78 PolarHBondContact O-N 2.97Å
75M94.6Very high93.8Very high4 Ų461 Ų612%0.0232%0.318CS..Hα-helixtrans-66.7-36-177.7-16145.6142.500113.8T60 H63 G71 V72 K77 I78 Y79 A100T60-M75 HydrophobicContact CG2-CE 3.52Å; T60-M75 VanDerWaalsContact OG1-CE 3.28Å; T60-M75 WeakPolarHBondContact OG1-CE 3.44Å; H63-M75 HydrophobicContact CB-CE 4.21Å; G71-M75 PolarHBondContact O-N 3.37Å; V72-M75 PolarHBondContact O-N 3.25Å; V72-M75 VanDerWaalsContact O-N 3.16Å; M75-K77 PolarHBondContact O-N 3.44Å; M75-I78 PolarHBondContact O-N 3.29Å; M75-I78 HydrophobicContact SD-CB 4.14Å; M75-I78 HydrophobicContact SD-CD1 3.85Å; M75-I78 HydrophobicContact SD-CG2 4.32Å; M75-Y79 HydrophobicContact CE-CD2 4.23Å; M75-Y79 HydrophobicContact CE-CE1 4.47Å; M75-Y79 HydrophobicContact CE-CE2 3.22Å; M75-Y79 WeakPolarHBondContact CE-OH 3.35Å; M75-Y79 HydrophobicContact CG-CD2 3.73Å; M75-Y79 HydrophobicContact CG-CE2 3.54Å; M75-Y79 WeakPolarHBondContact O-CD2 3.35Å; M75-Y79 PolarHBondContact O-N 2.94Å; M75-Y79 HydrophobicContact SD-CD2 3.7Å; M75-Y79 HydrophobicContact SD-CE2 3.27Å; M75-Y79 WeakPolarHBondContact SD-CE2 3.44Å; M75-A100 HydrophobicContact CB-CB 4.21Å; M75-A100 HydrophobicContact CG-CB 4.21Å
76I96.1Very high93.8Very high9 Ų961.7 Ų61.75%0.04634%0.337CS..Hα-helixtrans-67.9-23172.761.9172.3000113.1V72 G73 A74 G80 V94 G95 R97 A100V72-I76 PolarHBondContact O-N 3.44Å; V72-I76 VanDerWaalsContact O-N 3.07Å; G73-I76 WeakPolarHBondContact O-CG1 3.42Å; A74-I76 PolarHBondContact O-N 2.94Å; I76-G80 PolarHBondContact O-N 2.85Å; I76-G80 VanDerWaalsContact O-N 3.13Å; I76-V94 HydrophobicContact CB-CB 4.32Å; I76-V94 HydrophobicContact CD1-CB 4.3Å; I76-V94 HydrophobicContact CD1-CG2 4.4Å; I76-V94 HydrophobicContact CG1-CB 4.4Å; I76-G95 WeakPolarHBondContact CG2-O 3.49Å; I76-G95 PolarHBondContact O-N 3.04Å; I76-R97 HydrophobicContact CG2-CB 4.15Å; I76-A100 HydrophobicContact CG2-CB 4.08Å
77K95.8Very high94Very high146 Ų14665.1 Ų65.164%0.63536%0.361SS*.Hα-helixtrans-77.9-43.6173.8-69.8-179.1178.7-175.90110.8A74 M75 Y79 G80A74-K77 WeakPolarHBondContact O-CB 3.5Å; A74-K77 PolarHBondContact O-N 3.21Å; M75-K77 PolarHBondContact O-N 3.44Å; K77-Y79 VanDerWaalsContact C-N 3.29Å; K77-Y79 PolarHBondContact O-N 3.25Å; K77-G80 PolarHBondContact O-N 3.41Å
78I95Very high94.3Very high75 Ų7560.8 Ų60.839%0.38536%0.355SS..Hα-helixtrans-59.2-42.5176.9-67153.8000111.1H63 V70 A74 M75 G80H63-I78 WeakPolarHBondContact CE1-CD1 3.47Å; H63-I78 WeakPolarHBondContact NE2-CD1 3.33Å; V70-I78 HydrophobicContact CG1-CD1 4.48Å; A74-I78 WeakPolarHBondContact O-CD1 3.5Å; A74-I78 WeakPolarHBondContact O-CG1 3.45Å; A74-I78 PolarHBondContact O-N 2.97Å; M75-I78 PolarHBondContact O-N 3.29Å; M75-I78 HydrophobicContact SD-CB 4.14Å; M75-I78 HydrophobicContact SD-CD1 3.85Å; M75-I78 HydrophobicContact SD-CG2 4.32Å; I78-G80 VanDerWaalsContact C-N 3.3Å
79Y95.9Very high94.7Very high41 Ų4163.3 Ų63.316%0.16136%0.364CS..THydrogen-bonded Turntrans-92.914.6176-58.2-46.4000113.8R56 S59 T60 M75 K77R56-Y79 VanDerWaalsContact NH1-CE1 3.26Å; S59-Y79 VanDerWaalsContact CB-OH 3.26Å; S59-Y79 WeakPolarHBondContact CB-OH 3.44Å; S59-Y79 PolarHBondContact OG-OH 2.96Å; T60-Y79 PolarHBondContact N-OH 3.35Å; T60-Y79 PolarHBondContact OG1-OH 3.48Å; M75-Y79 HydrophobicContact CE-CD2 4.23Å; M75-Y79 HydrophobicContact CE-CE1 4.47Å; M75-Y79 HydrophobicContact CE-CE2 3.22Å; M75-Y79 WeakPolarHBondContact CE-OH 3.35Å; M75-Y79 HydrophobicContact CG-CD2 3.73Å; M75-Y79 HydrophobicContact CG-CE2 3.54Å; M75-Y79 WeakPolarHBondContact O-CD2 3.35Å; M75-Y79 PolarHBondContact O-N 2.94Å; M75-Y79 HydrophobicContact SD-CD2 3.7Å; M75-Y79 HydrophobicContact SD-CE2 3.27Å; M75-Y79 WeakPolarHBondContact SD-CE2 3.44Å; K77-Y79 VanDerWaalsContact C-N 3.29Å; K77-Y79 PolarHBondContact O-N 3.25Å
80G95.8Very high95.1Very high21 Ų2163.9 Ų63.922%0.21637%0.365CS..  trans-71.5171.517000000111.4I76 K77 I78 S93I76-G80 PolarHBondContact O-N 2.85Å; I76-G80 VanDerWaalsContact O-N 3.13Å; K77-G80 PolarHBondContact O-N 3.41Å; I78-G80 VanDerWaalsContact C-N 3.3Å; G80-S93 WeakPolarHBondContact CA-O 3.26Å
81G96.4Very high95.4Very high16 Ų1669.4 Ų69.417%0.16539%0.39CS..EExtended strand (participates in β ladder)trans-167.6179.7-179.300000112.9H42 S93H42-G81 PolarHBondContact CE1-N 3.25Å; G81-S93 PolarHBondContact N-O 3.39Å; G81-S93 PolarHBondContact O-N 3.19Å
82R96.3Very high95.7Very high203 Ų20374.6 Ų74.677%0.76641%0.406SS*.EExtended strand (participates in β ladder)trans-73.8125.9175.6-170.817877.9171.83.3110A90R82-A90 HydrophobicContact CG-CB 3.71Å
83Q96.4Very high95.8Very high26 Ų2674.1 Ų74.112%0.12140%0.404CS..EExtended strand (participates in β ladder)trans-100.9123.7171.1-173.1173.5-35.800109.5H42 N85 A90 H91 S93H42-Q83 HydrophobicContact CB-CB 3.56Å; H42-Q83 HydrophobicContact CB-CG 3.85Å; Q83-N85 PolarHBondContact NE2-OD1 3.38Å; Q83-N85 VanDerWaalsContact NE2-OD1 3.1Å; Q83-A90 VanDerWaalsContact O-CA 3.27Å; Q83-A90 WeakPolarHBondContact O-CA 3.39Å; Q83-A90 WeakPolarHBondContact O-CB 3.33Å; Q83-H91 PolarHBondContact N-O 2.94Å; Q83-H91 PolarHBondContact O-N 3.5Å; Q83-H91 VanDerWaalsContact O-N 3.16Å; Q83-S93 PolarHBondContact OE1-OG 2.97Å
84R95.3Very high96Very high192 Ų19275.3 Ų75.373%0.72540%0.404SS*.EExtended strand (participates in β ladder)trans-81.1129.1168.9-170.9177.9179.8174.1-0108.3
85N94.1Very high96.1Very high56 Ų5674 Ų7430%0.29939%0.394SS..EExtended strand (participates in β ladder)trans-108.241.2-177.3-64.9-42.6000111.4Q83 V87 C88 P89Q83-N85 PolarHBondContact NE2-OD1 3.38Å; Q83-N85 VanDerWaalsContact NE2-OD1 3.1Å; N85-V87 PolarHBondContact O-N 3Å; N85-V87 VanDerWaalsContact O-N 3.12Å; N85-C88 HydrophobicContact CB-CB 3.91Å; N85-C88 PolarHBondContact O-N 3.29Å; N85-C88 VanDerWaalsContact O-N 3.14Å; N85-P89 PolarHBondContact ND2-O 3.28Å; N85-P89 VanDerWaalsContact ND2-O 3.08Å
86G94.6Very high96.1Very high55 Ų5575.7 Ų75.757%0.56741%0.406SS*.THydrogen-bonded Turntrans64.6-110.9-175.300000111.8
87V96.6Very high96.1Very high151 Ų15182 Ų8292%0.91543%0.429SS*.THydrogen-bonded Turntrans-81.5-19.6179.3-61.30000113.4N85N85-V87 PolarHBondContact O-N 3Å; N85-V87 VanDerWaalsContact O-N 3.12Å
88C96.3Very high96Very high74 Ų7478.1 Ų78.150%0.542%0.415SS..EExtended strand (participates in β ladder)trans-83.8157179.5-63.80000111.9N85N85-C88 HydrophobicContact CB-CB 3.91Å; N85-C88 PolarHBondContact O-N 3.29Å; N85-C88 VanDerWaalsContact O-N 3.14Å
89P97.1Very high96Very high96 Ų9674.9 Ų74.962%0.62340%0.399SS*.EExtended strand (participates in β ladder)trans-53150.3175.3-26.935.2000113.6N85 H91N85-P89 PolarHBondContact ND2-O 3.28Å; N85-P89 VanDerWaalsContact ND2-O 3.08Å; P89-H91 PolarHBondContact O-CD2 2.95Å
90A97.3Very high96Very high49 Ų4973.2 Ų73.241%0.40539%0.393SS..EExtended strand (participates in β ladder)trans-76.5136.1178.400000110.9R82 Q83R82-A90 HydrophobicContact CG-CB 3.71Å; Q83-A90 VanDerWaalsContact O-CA 3.27Å; Q83-A90 WeakPolarHBondContact O-CA 3.39Å; Q83-A90 WeakPolarHBondContact O-CB 3.33Å
91H96.7Very high96Very high119 Ų11976.6 Ų76.655%0.55140%0.4SS*.EExtended strand (participates in β ladder)trans-126.1159.3178.5-69.3-70000111.5Q83 P89Q83-H91 PolarHBondContact N-O 2.94Å; Q83-H91 PolarHBondContact O-N 3.5Å; Q83-H91 VanDerWaalsContact O-N 3.16Å; P89-H91 PolarHBondContact O-CD2 2.95Å
92F97.3Very high95.9Very high134 Ų13479.7 Ų79.759%0.58841%0.408SS*.EExtended strand (participates in β ladder)trans-71.2138.2173.1176.9-99.3000110.8V94F92-V94 HydrophobicContact CE1-CG1 3.92Å
93S96.9Very high95.9Very high17 Ų1770 Ų7012%0.11937%0.372CS..EExtended strand (participates in β ladder)trans-138.8134.3178.9-177.90000109.9H42 G80 G81 Q83H42-S93 PolarHBondContact ND1-O 3.05Å; G80-S93 WeakPolarHBondContact CA-O 3.26Å; G81-S93 PolarHBondContact N-O 3.39Å; G81-S93 PolarHBondContact O-N 3.19Å; Q83-S93 PolarHBondContact OE1-OG 2.97Å
94V97.2Very high95.8Very high64 Ų6469 Ų6939%0.38837%0.367SS..PPolyproline II helixtrans-70.8158.6-175.7-65.70000112.6I76 F92I76-V94 HydrophobicContact CB-CB 4.32Å; I76-V94 HydrophobicContact CD1-CB 4.3Å; I76-V94 HydrophobicContact CD1-CG2 4.4Å; I76-V94 HydrophobicContact CG1-CB 4.4Å; F92-V94 HydrophobicContact CE1-CG1 3.92Å
95G95.6Very high95.8Very high7 Ų763.9 Ų63.97%0.07235%0.351CS..BIsolated β-bridgetrans-69.7168.4171.800000113.5I76 R97I76-G95 WeakPolarHBondContact CG2-O 3.49Å; I76-G95 PolarHBondContact O-N 3.04Å; G95-R97 PolarHBondContact O-N 3.25Å
96S95.4Very high95.8Very high39 Ų3961.6 Ų61.627%0.27334%0.34SS..PPolyproline II helixtrans-66.3121.8176.8178.90000112L39 N98 V99 A100L39-S96 WeakPolarHBondContact O-CB 3.36Å; L39-S96 PolarHBondContact O-N 3.04Å; S96-N98 VanDerWaalsContact C-N 3.32Å; S96-N98 PolarHBondContact O-N 3.02Å; S96-N98 PolarHBondContact OG-N 3.41Å; S96-V99 PolarHBondContact OG-N 2.86Å; S96-A100 PolarHBondContact O-N 2.69Å
97R96.1Very high95.7Very high142 Ų14259 Ų5954%0.53631%0.313SS..Hα-helixtrans-66.7-33.6175.7-171.7176.7-78.6122.2-5.6112.3V72 I76 G95 R101V72-R97 HydrophobicContact CG1-CG 3.7Å; I76-R97 HydrophobicContact CG2-CB 4.15Å; G95-R97 PolarHBondContact O-N 3.25Å; R97-R101 WeakPolarHBondContact O-CB 3.48Å; R97-R101 PolarHBondContact O-N 3.43Å
98N94.9Very high95.5Very high64 Ų6454 Ų5434%0.34228%0.28SS..Hα-helixtrans-68.1-45.7179.9-167.136.9000111.3W33 S96 R101 K102W33-N98 WeakPolarHBondContact CZ2-ND2 3.42Å; S96-N98 VanDerWaalsContact C-N 3.32Å; S96-N98 PolarHBondContact O-N 3.02Å; S96-N98 PolarHBondContact OG-N 3.41Å; N98-R101 PolarHBondContact O-N 2.92Å; N98-K102 PolarHBondContact O-N 2.95Å
99V95.1Very high95.3Very high7 Ų753.3 Ų53.34%0.04229%0.286CS..Hα-helixtrans-59-52.3176.5176.60000110.8W33 W52 R56 S96 R101 K102 V103W33-V99 HydrophobicContact CH2-CB 4.44Å; W33-V99 HydrophobicContact CH2-CG2 3.83Å; W33-V99 HydrophobicContact CZ3-CG2 3.94Å; W52-V99 HydrophobicContact CH2-CG1 3.93Å; W52-V99 HydrophobicContact CH2-CG2 4.2Å; W52-V99 HydrophobicContact CZ3-CG1 3.69Å; R56-V99 HydrophobicContact CG-CG1 4.38Å; S96-V99 PolarHBondContact OG-N 2.86Å; V99-R101 VanDerWaalsContact C-N 3.27Å; V99-R101 PolarHBondContact O-N 3.15Å; V99-K102 PolarHBondContact O-N 3.45Å; V99-V103 HydrophobicContact CG1-CG2 4.32Å; V99-V103 VanDerWaalsContact O-CG2 3.28Å; V99-V103 WeakPolarHBondContact O-CG2 3.46Å; V99-V103 PolarHBondContact O-N 3.34Å
100A95Very high94.9Very high5 Ų550.4 Ų50.44%0.04127%0.265CS..Hα-helixtrans-58.3-39.3178.800000112.5V72 M75 I76 S96 L104V72-A100 HydrophobicContact CG1-CB 3.91Å; M75-A100 HydrophobicContact CB-CB 4.21Å; M75-A100 HydrophobicContact CG-CB 4.21Å; I76-A100 HydrophobicContact CG2-CB 4.08Å; S96-A100 PolarHBondContact O-N 2.69Å; A100-L104 WeakPolarHBondContact O-CD1 3.28Å; A100-L104 VanDerWaalsContact O-CG 3.31Å; A100-L104 WeakPolarHBondContact O-CG 3.36Å; A100-L104 PolarHBondContact O-N 2.86Å
101R95.2Very high94.7Very high93 Ų9355.1 Ų55.135%0.35128%0.276SS..Hα-helixtrans-65.3-49177.2-173.1-173.9-61113.7-7.4112V72 R97 N98 V99 L104 Q105V72-R101 HydrophobicContact CG1-CB 4.39Å; V72-R101 HydrophobicContact CG2-CB 4.38Å; R97-R101 WeakPolarHBondContact O-CB 3.48Å; R97-R101 PolarHBondContact O-N 3.43Å; N98-R101 PolarHBondContact O-N 2.92Å; V99-R101 VanDerWaalsContact C-N 3.27Å; V99-R101 PolarHBondContact O-N 3.15Å; R101-L104 PolarHBondContact O-N 3.19Å; R101-Q105 WeakPolarHBondContact O-CG 3.28Å; R101-Q105 PolarHBondContact O-N 3.44Å
102K95.6Very high94.4Very high81 Ų8149.9 Ų49.935%0.35225%0.252SS..Hα-helixtrans-65.2-38.7-178.6-73.3-54.8-174.3173.40112.4P31 W33 F53 N98 V99 L104 Q105 A106P31-K102 HydrophobicContact CG-CB 3.9Å; P31-K102 HydrophobicContact CG-CG 4.1Å; W33-K102 HydrophobicContact CH2-CB 4.49Å; W33-K102 HydrophobicContact CH2-CG 4.38Å; W33-K102 HydrophobicContact CZ2-CB 4.22Å; W33-K102 HydrophobicContact CZ2-CG 3.66Å; F53-K102 HydrophobicContact CZ-CB 4.47Å; N98-K102 PolarHBondContact O-N 2.95Å; V99-K102 PolarHBondContact O-N 3.45Å; K102-L104 PolarHBondContact O-N 3.12Å; K102-Q105 PolarHBondContact O-N 2.96Å; K102-A106 WeakPolarHBondContact O-CB 3.5Å; K102-A106 PolarHBondContact O-N 3.44Å
103V95.6Very high94.3Very high0 Ų043.8 Ų43.80%023%0.226CC..Hα-helixtrans-60.5-46.8175.5171.30000111.1F53 R56 A57 T60 V99 A106 L107F53-V103 HydrophobicContact CD2-CG2 4.08Å; F53-V103 HydrophobicContact CE2-CG2 3.47Å; F53-V103 VanDerWaalsContact CE2-CG2 3.47Å; F53-V103 HydrophobicContact CZ-CG2 3.8Å; R56-V103 HydrophobicContact CB-CG2 4.35Å; R56-V103 HydrophobicContact CG-CG2 3.76Å; A57-V103 HydrophobicContact CB-CG1 4.02Å; T60-V103 HydrophobicContact CG2-CG1 4.05Å; T60-V103 WeakPolarHBondContact OG1-CG1 3.46Å; V99-V103 HydrophobicContact CG1-CG2 4.32Å; V99-V103 VanDerWaalsContact O-CG2 3.28Å; V99-V103 WeakPolarHBondContact O-CG2 3.46Å; V99-V103 PolarHBondContact O-N 3.34Å; V103-A106 PolarHBondContact O-N 2.93Å; V103-L107 HydrophobicContact CG1-CD1 4.21Å; V103-L107 WeakPolarHBondContact O-CG 3.24Å; V103-L107 PolarHBondContact O-N 2.8Å
104L94.3Very high94.1Very high4 Ų446 Ų462%0.02123%0.234CC..Hα-helixtrans-67.5-38.1179.6-68.5165.8000112.2T60 L64 V72 A100 R101 K102 A106 L107 E108T60-L104 HydrophobicContact CG2-CD2 3.41Å; T60-L104 VanDerWaalsContact CG2-CD2 3.41Å; T60-L104 HydrophobicContact CG2-CG 4.12Å; L64-L104 HydrophobicContact CD1-CD2 3.85Å; V72-L104 HydrophobicContact CG2-CD1 4.1Å; A100-L104 WeakPolarHBondContact O-CD1 3.28Å; A100-L104 VanDerWaalsContact O-CG 3.31Å; A100-L104 WeakPolarHBondContact O-CG 3.36Å; A100-L104 PolarHBondContact O-N 2.86Å; R101-L104 PolarHBondContact O-N 3.19Å; K102-L104 PolarHBondContact O-N 3.12Å; L104-A106 VanDerWaalsContact C-N 3.35Å; L104-L107 PolarHBondContact O-N 2.96Å; L104-E108 WeakPolarHBondContact O-CG 3.4Å; L104-E108 PolarHBondContact O-N 3.37Å
105Q94.3Very high93.9Very high84 Ų8450.3 Ų50.339%0.39325%0.248SC..Hα-helixtrans-64.5-37.7173.1-73.9174.2-21.500112.4R101 K102 E108 G109R101-Q105 WeakPolarHBondContact O-CG 3.28Å; R101-Q105 PolarHBondContact O-N 3.44Å; K102-Q105 PolarHBondContact O-N 2.96Å; Q105-E108 PolarHBondContact O-N 2.99Å; Q105-G109 PolarHBondContact O-N 2.7Å
106A94.3Very high93.6Very high8 Ų851.6 Ų51.67%0.06625%0.253CS..Hα-helixtrans-66.3-40.8176.300000111.5L28 F53 K102 V103 L104 G109 L110L28-A106 HydrophobicContact CG-CB 4.31Å; F53-A106 HydrophobicContact CE1-CB 4.35Å; F53-A106 HydrophobicContact CZ-CB 4.48Å; K102-A106 WeakPolarHBondContact O-CB 3.5Å; K102-A106 PolarHBondContact O-N 3.44Å; V103-A106 PolarHBondContact O-N 2.93Å; L104-A106 VanDerWaalsContact C-N 3.35Å; A106-G109 PolarHBondContact O-N 3.46Å; A106-L110 PolarHBondContact O-N 3.08Å
107L93.3Very high93.1Very high0 Ų054.8 Ų54.80%027%0.273CS..Hα-helixtrans-68.2-34.7174.8-69.9172.6000112.9A57 T60 A61 V103 L104 L110 K111 M112 V113A57-L107 HydrophobicContact CB-CD2 4.31Å; T60-L107 HydrophobicContact CG2-CD1 3.98Å; A61-L107 HydrophobicContact CB-CD1 4.33Å; V103-L107 HydrophobicContact CG1-CD1 4.21Å; V103-L107 WeakPolarHBondContact O-CG 3.24Å; V103-L107 PolarHBondContact O-N 2.8Å; L104-L107 PolarHBondContact O-N 2.96Å; L107-L110 PolarHBondContact O-N 3.39Å; L107-K111 PolarHBondContact O-N 3.41Å; L107-M112 HydrophobicContact CD2-SD 4.45Å; L107-M112 PolarHBondContact O-N 2.99Å; L107-V113 HydrophobicContact CB-CB 4.11Å; L107-V113 HydrophobicContact CB-CG2 3.77Å; L107-V113 HydrophobicContact CD1-CG2 4.21Å; L107-V113 PolarHBondContact O-N 2.95Å
108E93.1Very high92.6Very high46 Ų4655.6 Ų55.622%0.21529%0.288CS..Hα-helixtrans-63.2-42.5170.2-76170165.600111L104 Q105 L110 K111 V113 R121L104-E108 WeakPolarHBondContact O-CG 3.4Å; L104-E108 PolarHBondContact O-N 3.37Å; Q105-E108 PolarHBondContact O-N 2.99Å; E108-L110 PolarHBondContact O-N 2.7Å; E108-K111 WeakPolarHBondContact O-CA 3.35Å; E108-K111 PolarHBondContact O-N 3.49Å; E108-V113 WeakPolarHBondContact CA-O 3.35Å; E108-V113 HydrophobicContact CG-CB 4.47Å; E108-V113 HydrophobicContact CG-CG1 4.32Å; E108-R121 IonicContact OE1-CZ 3.83Å; E108-R121 IonicContact OE1-NE 3.86Å; E108-R121 PolarHBondContact OE1-NE 2.72Å; E108-R121 IonicContact OE1-NH2 2.95Å; E108-R121 PolarHBondContact OE1-NH2 3.48Å; E108-R121 VanDerWaalsContact OE1-NH2 3.14Å; E108-R121 IonicContact OE2-CZ 3.2Å; E108-R121 IonicContact OE2-NE 2.72Å; E108-R121 IonicContact OE2-NH2 2.79Å; E108-R121 PolarHBondContact OE2-NH2 3.03Å
109G91.4Very high92.2Very high61 Ų6154.5 Ų54.563%0.62929%0.291SS*.Hα-helixtrans-61.1-28.9175.300000113.8Q105 A106 K111Q105-G109 PolarHBondContact O-N 2.7Å; A106-G109 PolarHBondContact O-N 3.46Å; G109-K111 VanDerWaalsContact C-N 3.29Å
110L89.6Confident91.9Very high34 Ų3455.6 Ų55.618%0.17830%0.304CS..THydrogen-bonded Turntrans-83.60.1173.3-69.8-179.6000114L22 K27 L28 A106 L107 E108 M112L22-L110 HydrophobicContact CD2-CD1 3.99Å; K27-L110 HydrophobicContact CB-CD2 3.42Å; K27-L110 VanDerWaalsContact CB-CD2 3.42Å; K27-L110 WeakPolarHBondContact O-CD2 3.41Å; L28-L110 HydrophobicContact CB-CD1 3.99Å; L28-L110 HydrophobicContact CD1-CD1 3.78Å; L28-L110 HydrophobicContact CG-CD1 4.16Å; A106-L110 PolarHBondContact O-N 3.08Å; L107-L110 PolarHBondContact O-N 3.39Å; E108-L110 PolarHBondContact O-N 2.7Å; L110-M112 HydrophobicContact CB-CG 4.07Å; L110-M112 HydrophobicContact CD1-SD 4.49Å; L110-M112 PolarHBondContact O-N 2.79Å; L110-M112 VanDerWaalsContact O-N 3.13Å
111K91.9Very high91.8Very high148 Ų14856.6 Ų56.664%0.64331%0.307SS*.THydrogen-bonded Turntrans57.121.2-174.8-54.5-175.7178.8-176.60114.2L107 E108 G109 T124L107-K111 PolarHBondContact O-N 3.41Å; E108-K111 WeakPolarHBondContact O-CA 3.35Å; E108-K111 PolarHBondContact O-N 3.49Å; G109-K111 VanDerWaalsContact C-N 3.29Å; K111-T124 WeakPolarHBondContact O-CG2 3.33Å; K111-T124 PolarHBondContact O-OG1 3.49Å
112M91.1Very high91.7Very high10 Ų1056.8 Ų56.85%0.04931%0.308CS..SBendtrans-84-26.3174.9-66.5-17176.700112.3L22 L107 L110 T124 D130L22-M112 HydrophobicContact CD2-SD 4.06Å; L107-M112 HydrophobicContact CD2-SD 4.45Å; L107-M112 PolarHBondContact O-N 2.99Å; L110-M112 HydrophobicContact CB-CG 4.07Å; L110-M112 HydrophobicContact CD1-SD 4.49Å; L110-M112 PolarHBondContact O-N 2.79Å; L110-M112 VanDerWaalsContact O-N 3.13Å; M112-T124 PolarHBondContact O-N 3.25Å; M112-T124 PolarHBondContact O-OG1 3.28Å; M112-D130 HydrophobicContact CE-CB 4.33Å
113V93.8Very high91.6Very high5 Ų554 Ų543%0.0330%0.297CS..EExtended strand (participates in β ladder)trans-127.1142.2-177.8174.10000108.7L64 L107 E108 R121 R122L64-V113 HydrophobicContact CD1-CB 4.48Å; L64-V113 HydrophobicContact CD1-CG1 3.91Å; L64-V113 HydrophobicContact CD1-CG2 3.64Å; L107-V113 HydrophobicContact CB-CB 4.11Å; L107-V113 HydrophobicContact CB-CG2 3.77Å; L107-V113 HydrophobicContact CD1-CG2 4.21Å; L107-V113 PolarHBondContact O-N 2.95Å; E108-V113 WeakPolarHBondContact CA-O 3.35Å; E108-V113 HydrophobicContact CG-CB 4.47Å; E108-V113 HydrophobicContact CG-CG1 4.32Å; V113-R121 HydrophobicContact CG1-CB 3.8Å; V113-R121 HydrophobicContact CG1-CG 4.17Å; V113-R122 WeakPolarHBondContact CA-O 3.42Å; V113-R122 WeakPolarHBondContact CG1-O 3.31Å
114E93.1Very high91.6Very high64 Ų6454.8 Ų54.830%0.29930%0.301SS..EExtended strand (participates in β ladder)trans-128165.1173.962.4-179-163.400111.2R121 R122 T124E114-R121 WeakPolarHBondContact O-CA 3.32Å; E114-R122 HydrophobicContact CG-CG 3.75Å; E114-R122 PolarHBondContact N-O 3.26Å; E114-R122 PolarHBondContact O-N 2.97Å; E114-R122 VanDerWaalsContact O-O 3.11Å; E114-R122 IonicContact OE1-CZ 3.36Å; E114-R122 IonicContact OE1-NE 2.7Å; E114-R122 PolarHBondContact OE1-NE 3.35Å; E114-R122 IonicContact OE1-NH2 3.14Å; E114-R122 PolarHBondContact OE1-NH2 3.03Å; E114-T124 HydrophobicContact CB-CG2 3.76Å; E114-T124 HydrophobicContact CG-CG2 3.8Å
115K92.4Very high91.5Very high155 Ų15558.6 Ų58.667%0.67433%0.326SS*.EExtended strand (participates in β ladder)trans-76.1135.3172.1-66.1-178.8-178.4175.80109.1
116D89.6Confident91.4Very high33 Ų3359.2 Ų59.218%0.17633%0.329CS..  trans-81.6137.4175.7-161.4-45.9000109.5N118 G119 G120 R122D116-N118 PolarHBondContact O-N 3.24Å; D116-N118 PolarHBondContact OD1-N 3.03Å; D116-N118 VanDerWaalsContact OD1-N 3.09Å; D116-G119 PolarHBondContact O-N 3.48Å; D116-G120 PolarHBondContact N-O 2.88Å; D116-R122 HydrophobicContact CB-CB 4.42Å; D116-R122 HydrophobicContact CB-CG 4.26Å; D116-R122 WeakPolarHBondContact OD2-CD 3.47Å
117P85.8Confident91.3Very high106 Ų10658.9 Ų58.969%0.68833%0.326SS*.THydrogen-bonded Turntrans-52.2-34.6172.1-2834.1000113.9G119P117-G119 PolarHBondContact O-N 3.18Å
118N86Confident91.3Very high160 Ų16063.3 Ų63.386%0.85635%0.347SS*.THydrogen-bonded Turntrans-86.59.6-179.5-66.5-23.4000113.3D116D116-N118 PolarHBondContact O-N 3.24Å; D116-N118 PolarHBondContact OD1-N 3.03Å; D116-N118 VanDerWaalsContact OD1-N 3.09Å
119G85.9Confident91.3Very high40 Ų4068.9 Ų68.941%0.41237%0.366SS..SBendtrans92.9154.4-178.900000113.8D116 P117D116-G119 PolarHBondContact O-N 3.48Å; P117-G119 PolarHBondContact O-N 3.18Å
120G89.6Confident91.3Very high30 Ų3067.4 Ų67.431%0.30934%0.344SS..SBendtrans81.2-152.4-173.100000112.1D116D116-G120 PolarHBondContact N-O 2.88Å
121R92.5Very high91.5Very high26 Ų2665.8 Ų65.810%0.09834%0.335CS..EExtended strand (participates in β ladder)trans-134.8145.8-175.2-74.7162.7169.1146.7-14.2110.2L64 G69 V70 E108 V113 E114L64-R121 HydrophobicContact CD2-CB 4.21Å; L64-R121 VanDerWaalsContact CD2-O 3.22Å; L64-R121 WeakPolarHBondContact CD2-O 3.27Å; G69-R121 WeakPolarHBondContact CA-O 3.44Å; G69-R121 PolarHBondContact N-O 3.02Å; V70-R121 PolarHBondContact N-O 3.25Å; V70-R121 VanDerWaalsContact N-O 3.16Å; V70-R121 PolarHBondContact O-N 3.42Å; E108-R121 IonicContact OE1-CZ 3.83Å; E108-R121 IonicContact OE1-NE 3.86Å; E108-R121 PolarHBondContact OE1-NE 2.72Å; E108-R121 IonicContact OE1-NH2 2.95Å; E108-R121 PolarHBondContact OE1-NH2 3.48Å; E108-R121 VanDerWaalsContact OE1-NH2 3.14Å; E108-R121 IonicContact OE2-CZ 3.2Å; E108-R121 IonicContact OE2-NE 2.72Å; E108-R121 IonicContact OE2-NH2 2.79Å; E108-R121 PolarHBondContact OE2-NH2 3.03Å; V113-R121 HydrophobicContact CG1-CB 3.8Å; V113-R121 HydrophobicContact CG1-CG 4.17Å; E114-R121 WeakPolarHBondContact O-CA 3.32Å
122R92.9Very high91.6Very high98 Ų9860.6 Ų60.637%0.3731%0.314SS..EExtended strand (participates in β ladder)trans-133.9162.9175.269.9179.5-170.5-169.84.2110V113 E114 D116V113-R122 WeakPolarHBondContact CA-O 3.42Å; V113-R122 WeakPolarHBondContact CG1-O 3.31Å; E114-R122 HydrophobicContact CG-CG 3.75Å; E114-R122 PolarHBondContact N-O 3.26Å; E114-R122 PolarHBondContact O-N 2.97Å; E114-R122 VanDerWaalsContact O-O 3.11Å; E114-R122 IonicContact OE1-CZ 3.36Å; E114-R122 IonicContact OE1-NE 2.7Å; E114-R122 PolarHBondContact OE1-NE 3.35Å; E114-R122 IonicContact OE1-NH2 3.14Å; E114-R122 PolarHBondContact OE1-NH2 3.03Å; D116-R122 HydrophobicContact CB-CB 4.42Å; D116-R122 HydrophobicContact CB-CG 4.26Å; D116-R122 WeakPolarHBondContact OD2-CD 3.47Å
123L94Very high91.6Very high23 Ų2367.9 Ų67.912%0.1234%0.341CS..EExtended strand (participates in β ladder)trans-75.9143.8176.9-121.4129000110.4A61 L64 G127 Q128 L131A61-L123 VanDerWaalsContact O-CD1 3.24Å; A61-L123 WeakPolarHBondContact O-CD1 3.4Å; L64-L123 HydrophobicContact CB-CD1 3.81Å; L123-G127 WeakPolarHBondContact CD2-O 3.09Å; L123-Q128 HydrophobicContact CD2-CB 4.28Å; L123-L131 HydrophobicContact CD1-CD1 3.58Å; L123-L131 HydrophobicContact CD2-CD1 3.62Å; L123-L131 HydrophobicContact CD2-CG 4.42Å; L123-L131 HydrophobicContact CG-CD1 4.25Å
124T95.1Very high91.6Very high15 Ų1567.9 Ų67.99%0.09234%0.341CS..  trans-76.9157.2172.3630000110.1K111 M112 E114 Q126 G127 Q128K111-T124 WeakPolarHBondContact O-CG2 3.33Å; K111-T124 PolarHBondContact O-OG1 3.49Å; M112-T124 PolarHBondContact O-N 3.25Å; M112-T124 PolarHBondContact O-OG1 3.28Å; E114-T124 HydrophobicContact CB-CG2 3.76Å; E114-T124 HydrophobicContact CG-CG2 3.8Å; T124-Q126 PolarHBondContact O-N 3.24Å; T124-Q126 VanDerWaalsContact O-N 3.15Å; T124-G127 PolarHBondContact O-N 2.9Å; T124-G127 PolarHBondContact OG1-N 3.23Å; T124-Q128 PolarHBondContact O-N 2.79Å
125P93Very high91.5Very high84 Ų8464.9 Ų64.955%0.54533%0.327SS..Hα-helixtrans-58.4-26.8172.5-25.134.3000113.2R129P125-R129 WeakPolarHBondContact O-CG 3.47Å; P125-R129 PolarHBondContact O-N 2.72Å; P125-R129 PolarHBondContact O-NE 3.2Å
126Q91.7Very high91.5Very high98 Ų9858.5 Ų58.546%0.45831%0.306SS..Hα-helixtrans-71.2-50.3171.8-179.8175.2-3.100111.1T124 Q128 R129 D130T124-Q126 PolarHBondContact O-N 3.24Å; T124-Q126 VanDerWaalsContact O-N 3.15Å; Q126-Q128 PolarHBondContact O-N 3.14Å; Q126-R129 PolarHBondContact O-N 2.7Å; Q126-D130 PolarHBondContact O-N 3.39Å
127G92Very high91.5Very high0 Ų062.6 Ų62.60%032%0.324CS..Hα-helixtrans-59.7-35.2178.800000112.4L123 T124 D130 L131L123-G127 WeakPolarHBondContact CD2-O 3.09Å; T124-G127 PolarHBondContact O-N 2.9Å; T124-G127 PolarHBondContact OG1-N 3.23Å; G127-D130 PolarHBondContact O-N 3.03Å; G127-L131 VanDerWaalsContact O-CG 3.27Å; G127-L131 WeakPolarHBondContact O-CG 3.01Å; G127-L131 PolarHBondContact O-N 3.31Å
128Q93Very high91.8Very high93 Ų9358 Ų5844%0.43529%0.294SS..Hα-helixtrans-65.5-46.7178.1-168.1175.7-5.700110.9Y65 L123 T124 Q126 D130 L131 D132Y65-Q128 HydrophobicContact CD2-CG 4.11Å; Y65-Q128 HydrophobicContact CE2-CG 3.65Å; L123-Q128 HydrophobicContact CD2-CB 4.28Å; T124-Q128 PolarHBondContact O-N 2.79Å; Q126-Q128 PolarHBondContact O-N 3.14Å; Q128-D130 VanDerWaalsContact C-N 3.31Å; Q128-D130 PolarHBondContact O-N 2.79Å; Q128-L131 PolarHBondContact O-N 3.26Å; Q128-D132 PolarHBondContact O-N 3.47Å
129R93Very high91.9Very high163 Ų16351.3 Ų51.362%0.61526%0.26SS*.Hα-helixtrans-59.4-41174.4-75.2-178.2-77.1169-5.1112.5P125 Q126 R133P125-R129 WeakPolarHBondContact O-CG 3.47Å; P125-R129 PolarHBondContact O-N 2.72Å; P125-R129 PolarHBondContact O-NE 3.2Å; Q126-R129 PolarHBondContact O-N 2.7Å; R129-R133 WeakPolarHBondContact O-CB 3.13Å; R129-R133 PolarHBondContact O-N 3.13Å
130D91.6Very high92Very high31 Ų3153.1 Ų53.117%0.16627%0.267CS..Hα-helixtrans-65.8-42.1178.1-70.8-26.8000111.5M112 Q126 G127 Q128 R133 I134M112-D130 HydrophobicContact CE-CB 4.33Å; Q126-D130 PolarHBondContact O-N 3.39Å; G127-D130 PolarHBondContact O-N 3.03Å; Q128-D130 VanDerWaalsContact C-N 3.31Å; Q128-D130 PolarHBondContact O-N 2.79Å; D130-R133 IonicContact OD1-NH1 3.79Å; D130-I134 WeakPolarHBondContact O-CD1 3.37Å; D130-I134 VanDerWaalsContact O-CG1 3.28Å; D130-I134 WeakPolarHBondContact O-CG1 3.27Å; D130-I134 PolarHBondContact O-N 2.99Å; D130-I134 VanDerWaalsContact O-N 3.11Å
131L92.8Very high91.8Very high0 Ų054 Ų540%027%0.271CS..Hα-helixtrans-64.9-44.9176.1-69.7175.7000112.3V6 F14 L18 A61 Y65 L123 G127 Q128 I134 A135V6-L131 HydrophobicContact CG2-CB 3.84Å; F14-L131 HydrophobicContact CE1-CD2 4.21Å; F14-L131 WeakPolarHBondContact CE2-O 3.48Å; F14-L131 HydrophobicContact CZ-CB 4.22Å; F14-L131 HydrophobicContact CZ-CD2 3.79Å; L18-L131 HydrophobicContact CD1-CD2 3.83Å; L18-L131 HydrophobicContact CD2-CD2 3.39Å; L18-L131 HydrophobicContact CG-CD2 4.28Å; A61-L131 HydrophobicContact CB-CD2 4.4Å; Y65-L131 HydrophobicContact CD2-CB 4.38Å; Y65-L131 HydrophobicContact CD2-CD1 3.84Å; Y65-L131 HydrophobicContact CG-CD1 4.38Å; L123-L131 HydrophobicContact CD1-CD1 3.58Å; L123-L131 HydrophobicContact CD2-CD1 3.62Å; L123-L131 HydrophobicContact CD2-CG 4.42Å; L123-L131 HydrophobicContact CG-CD1 4.25Å; G127-L131 VanDerWaalsContact O-CG 3.27Å; G127-L131 WeakPolarHBondContact O-CG 3.01Å; G127-L131 PolarHBondContact O-N 3.31Å; Q128-L131 PolarHBondContact O-N 3.26Å; L131-I134 PolarHBondContact O-N 3.22Å; L131-A135 PolarHBondContact O-N 3.39Å
132D93.9Very high91.4Very high39 Ų3954.6 Ų54.621%0.20928%0.276CS..Hα-helixtrans-66.8-37.1179.2-69.2-31.2000111.6V6 Y65 Q128 I134 A135 G136V6-D132 PolarHBondContact N-OD1 3.49Å; Y65-D132 WeakPolarHBondContact CE2-OD1 3.32Å; Y65-D132 PolarHBondContact OH-OD1 3.28Å; Q128-D132 PolarHBondContact O-N 3.47Å; D132-I134 VanDerWaalsContact C-N 3.34Å; D132-I134 PolarHBondContact O-N 3.25Å; D132-A135 WeakPolarHBondContact O-CB 3.22Å; D132-A135 PolarHBondContact O-N 3.27Å; D132-G136 PolarHBondContact O-N 3.2Å
133R92.5Very high90.9Very high162 Ų16255.6 Ų55.661%0.61128%0.283SS*.Hα-helixtrans-60.7-43.7173.2-176.9-176.4-68.5152.6-3.8111.7R129 D130 A135 G136 Q137R129-R133 WeakPolarHBondContact O-CB 3.13Å; R129-R133 PolarHBondContact O-N 3.13Å; D130-R133 IonicContact OD1-NH1 3.79Å; R133-A135 VanDerWaalsContact C-N 3.32Å; R133-G136 PolarHBondContact O-N 3.21Å; R133-Q137 WeakPolarHBondContact O-CG 3.49Å; R133-Q137 PolarHBondContact O-N 3.27Å; R133-Q137 VanDerWaalsContact O-N 3.12Å
134I92.3Very high90.3Very high6 Ų661.4 Ų61.43%0.03131%0.307CS..Hα-helixtrans-65.9-38.4177.1-67.5165.9000110.3F14 A17 L18 F21 D130 L131 D132 G136 Q137 V138F14-I134 HydrophobicContact CD2-CG2 4.35Å; F14-I134 HydrophobicContact CE2-CB 4.23Å; F14-I134 HydrophobicContact CE2-CG2 3.95Å; A17-I134 HydrophobicContact CB-CG2 4.28Å; L18-I134 HydrophobicContact CD1-CD1 3.49Å; L18-I134 VanDerWaalsContact CD1-CD1 3.49Å; F21-I134 HydrophobicContact CB-CD1 4.11Å; F21-I134 HydrophobicContact CD1-CD1 3.67Å; F21-I134 HydrophobicContact CD2-CD1 4.34Å; F21-I134 HydrophobicContact CE1-CD1 4.15Å; F21-I134 HydrophobicContact CG-CD1 3.77Å; D130-I134 WeakPolarHBondContact O-CD1 3.37Å; D130-I134 VanDerWaalsContact O-CG1 3.28Å; D130-I134 WeakPolarHBondContact O-CG1 3.27Å; D130-I134 PolarHBondContact O-N 2.99Å; D130-I134 VanDerWaalsContact O-N 3.11Å; L131-I134 PolarHBondContact O-N 3.22Å; D132-I134 VanDerWaalsContact C-N 3.34Å; D132-I134 PolarHBondContact O-N 3.25Å; I134-G136 VanDerWaalsContact C-N 3.33Å; I134-G136 PolarHBondContact O-N 2.9Å; I134-Q137 WeakPolarHBondContact O-CB 3.07Å; I134-Q137 PolarHBondContact O-N 3.42Å; I134-Q137 VanDerWaalsContact O-N 3.14Å; I134-V138 HydrophobicContact CG2-CG2 4.42Å; I134-V138 WeakPolarHBondContact O-CG2 3.35Å; I134-V138 PolarHBondContact O-N 3.23Å
135A92.4Very high89.5Confident0 Ų066.1 Ų66.10%033%0.329CS..Hα-helixtrans-59.8-43.4174.200000111.6V4 V6 V9 F14 L131 D132 R133 Q137 V138 A139V4-A135 HydrophobicContact CG1-CB 4.42Å; V6-A135 HydrophobicContact CG2-CB 4.38Å; V9-A135 HydrophobicContact CG1-CB 4.2Å; V9-A135 WeakPolarHBondContact CG1-O 3.48Å; V9-A135 HydrophobicContact CG2-CB 4.01Å; F14-A135 HydrophobicContact CD2-CB 4.2Å; F14-A135 HydrophobicContact CE2-CB 3.94Å; L131-A135 PolarHBondContact O-N 3.39Å; D132-A135 WeakPolarHBondContact O-CB 3.22Å; D132-A135 PolarHBondContact O-N 3.27Å; R133-A135 VanDerWaalsContact C-N 3.32Å; A135-Q137 VanDerWaalsContact C-N 3.31Å; A135-Q137 PolarHBondContact O-N 3.16Å; A135-V138 PolarHBondContact O-N 3.42Å; A135-A139 PolarHBondContact O-N 3Å
136G91.8Very high88.9Confident22 Ų2271.3 Ų71.323%0.22734%0.337CS..Hα-helixtrans-59.6-37.7173.500000113.7D132 R133 I134 S140D132-G136 PolarHBondContact O-N 3.2Å; R133-G136 PolarHBondContact O-N 3.21Å; I134-G136 VanDerWaalsContact C-N 3.33Å; I134-G136 PolarHBondContact O-N 2.9Å; G136-S140 WeakPolarHBondContact O-CB 3.34Å; G136-S140 PolarHBondContact O-N 3.23Å; G136-S140 VanDerWaalsContact O-N 3.07Å; G136-S140 PolarHBondContact O-OG 3.05Å
137Q90.3Very high88.2Confident118 Ų11869.8 Ų69.855%0.55134%0.338SS*.Hα-helixtrans-66.8-44.5174.9-69.3177-10.900111.9R133 I134 A135 S140 A141R133-Q137 WeakPolarHBondContact O-CG 3.49Å; R133-Q137 PolarHBondContact O-N 3.27Å; R133-Q137 VanDerWaalsContact O-N 3.12Å; I134-Q137 WeakPolarHBondContact O-CB 3.07Å; I134-Q137 PolarHBondContact O-N 3.42Å; I134-Q137 VanDerWaalsContact O-N 3.14Å; A135-Q137 VanDerWaalsContact C-N 3.31Å; A135-Q137 PolarHBondContact O-N 3.16Å; Q137-S140 PolarHBondContact O-N 2.98Å; Q137-A141 WeakPolarHBondContact O-CB 3.47Å; Q137-A141 PolarHBondContact O-N 3.31Å
138V90.8Very high87.5Confident10 Ų1075.1 Ų75.16%0.06137%0.365CS..Hα-helixtrans-61.8-46.3176.8177.20000110.9E13 A17 I134 A135 S140 A141 N142E13-V138 HydrophobicContact CB-CG1 4.15Å; A17-V138 HydrophobicContact CB-CG2 3.46Å; A17-V138 VanDerWaalsContact CB-CG2 3.46Å; I134-V138 HydrophobicContact CG2-CG2 4.42Å; I134-V138 WeakPolarHBondContact O-CG2 3.35Å; I134-V138 PolarHBondContact O-N 3.23Å; A135-V138 PolarHBondContact O-N 3.42Å; V138-S140 VanDerWaalsContact C-N 3.28Å; V138-S140 PolarHBondContact O-N 3.36Å; V138-A141 PolarHBondContact O-N 3.16Å; V138-N142 VanDerWaalsContact O-CG 3.29Å; V138-N142 PolarHBondContact O-N 3.43Å; V138-N142 PolarHBondContact O-OD1 3.13Å
139A88.8Confident86.6Confident19 Ų1977.5 Ų77.516%0.15738%0.376CS..Hα-helixtrans-60.7-38.8177.800000112.5V4 V9 A135 K143V4-A139 HydrophobicContact CG1-CB 3.85Å; V4-A139 HydrophobicContact CG2-CB 4.21Å; V9-A139 HydrophobicContact CG1-CB 4.03Å; A135-A139 PolarHBondContact O-N 3Å; A139-K143 WeakPolarHBondContact O-CG 3.42Å; A139-K143 PolarHBondContact O-N 3.4Å; A139-K143 VanDerWaalsContact O-N 3.09Å
140S87.8Confident85.4Confident78 Ų7874.4 Ų74.455%0.54538%0.38SS..Hα-helixtrans-67.6-41.6176.8-570000111.8G136 Q137 V138 K143 K144G136-S140 WeakPolarHBondContact O-CB 3.34Å; G136-S140 PolarHBondContact O-N 3.23Å; G136-S140 VanDerWaalsContact O-N 3.07Å; G136-S140 PolarHBondContact O-OG 3.05Å; Q137-S140 PolarHBondContact O-N 2.98Å; V138-S140 VanDerWaalsContact C-N 3.28Å; V138-S140 PolarHBondContact O-N 3.36Å; S140-K143 PolarHBondContact O-N 3.22Å; S140-K144 PolarHBondContact O-N 3.09Å; S140-K144 VanDerWaalsContact O-N 3.12Å
141A86.2Confident84Confident48 Ų4877.1 Ų77.140%0.39741%0.407SS..Hα-helixtrans-63.1-42.9175.900000111.9Q137 V138 K143 K144 Q145Q137-A141 WeakPolarHBondContact O-CB 3.47Å; Q137-A141 PolarHBondContact O-N 3.31Å; V138-A141 PolarHBondContact O-N 3.16Å; A141-K143 PolarHBondContact O-N 3.04Å; A141-K144 WeakPolarHBondContact O-CB 3.49Å; A141-K144 PolarHBondContact O-N 3.31Å; A141-Q145 PolarHBondContact O-N 3.05Å
142N84Confident82Confident39 Ų3983.8 Ų83.821%0.20946%0.461CS..Hα-helixtrans-65.2-39.6178.4-70.9-2.6000112.5E13 V138 K144 Q145 R146E13-N142 PolarHBondContact OE2-ND2 3.3Å; E13-N142 PolarHBondContact OE2-OD1 3.01Å; V138-N142 VanDerWaalsContact O-CG 3.29Å; V138-N142 PolarHBondContact O-N 3.43Å; V138-N142 PolarHBondContact O-OD1 3.13Å; N142-K144 VanDerWaalsContact C-N 3.31Å; N142-K144 PolarHBondContact O-N 3.29Å; N142-Q145 PolarHBondContact O-N 3.38Å; N142-R146 WeakPolarHBondContact O-CG 3.46Å; N142-R146 PolarHBondContact O-N 3.41Å
143K81.4Confident81.4Confident120 Ų12086 Ų8652%0.52247%0.474SS..Hα-helixtrans-59.8-44173-76.1179.2-178.3-177.30111.2A139 S140 A141 R146 S147A139-K143 WeakPolarHBondContact O-CG 3.42Å; A139-K143 PolarHBondContact O-N 3.4Å; A139-K143 VanDerWaalsContact O-N 3.09Å; S140-K143 PolarHBondContact O-N 3.22Å; A141-K143 PolarHBondContact O-N 3.04Å; K143-R146 PolarHBondContact O-N 3.07Å; K143-S147 PolarHBondContact O-N 3.16Å; K143-S147 PolarHBondContact O-OG 3.45Å
144K81.1Confident80.8Confident144 Ų14482 Ų8263%0.62647%0.467SS*.Hα-helixtrans-63.3-41177.3-171178.3-179.3179.80112.4S140 A141 N142 S147 L148S140-K144 PolarHBondContact O-N 3.09Å; S140-K144 VanDerWaalsContact O-N 3.12Å; A141-K144 WeakPolarHBondContact O-CB 3.49Å; A141-K144 PolarHBondContact O-N 3.31Å; N142-K144 VanDerWaalsContact C-N 3.31Å; N142-K144 PolarHBondContact O-N 3.29Å; K144-S147 WeakPolarHBondContact CA-OG 3.14Å; K144-S147 PolarHBondContact O-N 2.83Å; K144-S147 PolarHBondContact O-OG 3.39Å; K144-L148 HydrophobicContact CG-CD1 4.26Å; K144-L148 WeakPolarHBondContact O-CD1 3.09Å; K144-L148 VanDerWaalsContact O-CG 3.29Å; K144-L148 WeakPolarHBondContact O-CG 3.34Å; K144-L148 PolarHBondContact O-N 3.1Å; K144-L148 VanDerWaalsContact O-N 3.16Å
145Q79.7Confident80.2Confident115 Ų11586.2 Ų86.254%0.53749%0.491SS..Hα-helixtrans-64.4-43.4175.9-74.7-179.2-13.400111.9A141 N142 S147 L148 Q149A141-Q145 PolarHBondContact O-N 3.05Å; N142-Q145 PolarHBondContact O-N 3.38Å; Q145-S147 PolarHBondContact O-N 3.02Å; Q145-L148 PolarHBondContact O-N 2.81Å; Q145-Q149 WeakPolarHBondContact O-CG 3.33Å; Q145-Q149 PolarHBondContact O-N 2.97Å
146R80.3Confident79.5Confident193 Ų19391.3 Ų91.373%0.72852%0.52SS*.Hα-helixtrans-61.9-42.7176.1-77.3-179.1172.1-174.8-2.9112.7N142 K143 L148 Q149 S150N142-R146 WeakPolarHBondContact O-CG 3.46Å; N142-R146 PolarHBondContact O-N 3.41Å; K143-R146 PolarHBondContact O-N 3.07Å; R146-L148 VanDerWaalsContact C-N 3.29Å; R146-L148 PolarHBondContact O-N 2.85Å; R146-Q149 PolarHBondContact O-N 2.89Å; R146-S150 PolarHBondContact O-N 3.14Å; R146-S150 PolarHBondContact O-OG 3.12Å
147S76.7Confident78.7Confident66 Ų6695.6 Ų95.646%0.46254%0.538SS..Hα-helixtrans-65.7-31.9177.957.40000113.2K143 K144 Q145 S150 A151K143-S147 PolarHBondContact O-N 3.16Å; K143-S147 PolarHBondContact O-OG 3.45Å; K144-S147 WeakPolarHBondContact CA-OG 3.14Å; K144-S147 PolarHBondContact O-N 2.83Å; K144-S147 PolarHBondContact O-OG 3.39Å; Q145-S147 PolarHBondContact O-N 3.02Å; S147-S150 WeakPolarHBondContact CA-OG 3.27Å; S147-S150 PolarHBondContact O-OG 3.16Å; S147-S150 VanDerWaalsContact O-OG 3.05Å; S147-A151 WeakPolarHBondContact O-CB 3.48Å; S147-A151 PolarHBondContact O-N 3.08Å
148L78.1Confident78Confident111 Ų11194.1 Ų94.158%0.58154%0.537SS*.Hα-helixtrans-73.8-36.6175.7-71.4166.7000111.6K144 Q145 R146 A151K144-L148 HydrophobicContact CG-CD1 4.26Å; K144-L148 WeakPolarHBondContact O-CD1 3.09Å; K144-L148 VanDerWaalsContact O-CG 3.29Å; K144-L148 WeakPolarHBondContact O-CG 3.34Å; K144-L148 PolarHBondContact O-N 3.1Å; K144-L148 VanDerWaalsContact O-N 3.16Å; Q145-L148 PolarHBondContact O-N 2.81Å; R146-L148 VanDerWaalsContact C-N 3.29Å; R146-L148 PolarHBondContact O-N 2.85Å; L148-A151 PolarHBondContact O-N 3.36Å
149Q73Confident77Confident143 Ų143100.1 Ų100.167%0.66857%0.572SS**Hα-helixtrans-72.2-27.9176.9-74.6176.9-1600113.5Q145 R146 A151Q145-Q149 WeakPolarHBondContact O-CG 3.33Å; Q145-Q149 PolarHBondContact O-N 2.97Å; R146-Q149 PolarHBondContact O-N 2.89Å; Q149-A151 VanDerWaalsContact C-N 3.33Å
150S67.4Low76.1Confident98 Ų98106.4 Ų106.469%0.68560%0.603SS**THydrogen-bonded Turntrans-82.2-11.417559.90000113.9R146 S147R146-S150 PolarHBondContact O-N 3.14Å; R146-S150 PolarHBondContact O-OG 3.12Å; S147-S150 WeakPolarHBondContact CA-OG 3.27Å; S147-S150 PolarHBondContact O-OG 3.16Å; S147-S150 VanDerWaalsContact O-OG 3.05Å
151A62.8Low75.2Confident89 Ų89108.8 Ų108.874%0.73661%0.608SS**  trans-100-1.9179.900000112.9S147 L148 Q149S147-A151 WeakPolarHBondContact O-CB 3.48Å; S147-A151 PolarHBondContact O-N 3.08Å; L148-A151 PolarHBondContact O-N 3.36Å; Q149-A151 VanDerWaalsContact C-N 3.33Å
152A51.3Low74.2Confident139 Ų139114.3 Ų114.3100%1.14963%0.628SS**  trans-109.40173.200000109.3

Retrieved 152 of 152 residues in 85.4 ms (Link to these results)

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