A0A087XDP5_POEFO Loading...

Terminal nucleotidyltransferase 4A

Terminal nucleotidyltransferase that catalyzes preferentially the transfer of ATP and GTP on RNA 3' poly(A) tail creating a heterogeneous 3' poly(A) tail leading to mRNAs stabilization by protecting mRNAs from active deadenylation. Also functions as a catalytic subunit of a TRAMP-like complex which has a poly(A) RNA polymerase activity and is involved in a post-transcriptional quality control mechanism. Polyadenylation with short oligo(A) tails is required for the degradative activity of the exosome on several of its nuclear RNA substrates. Has no terminal uridylyltransferase activity, and does not play a role in replication-dependent histone mRNA degradation via uridylation.

AlphaFold DB , UniProt , Accession A0A087XDP5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 783 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
1M56.6Low65.2Low187 Ų187110.8 Ų110.892%0.92154%0.542SS*.  0158.30-68.9175.717500107.8P3M1-P3 WeakPolarHBondContact O-CD 3.44Å
2D66Low65.3Low37 Ų37110.5 Ų110.520%0.19854%0.538CS..  trans-75.8117.3170.6-166-54.3000109.1R4 V5 W24D2-R4 PolarHBondContact O-N 3.37Å; D2-R4 VanDerWaalsContact O-N 3.15Å; D2-R4 VanDerWaalsContact OD1-CB 3.26Å; D2-R4 WeakPolarHBondContact OD1-CB 3.5Å; D2-R4 WeakPolarHBondContact OD1-CG 3.29Å; D2-R4 IonicContact OD1-CZ 2.78Å; D2-R4 PolarHBondContact OD1-N 3.33Å; D2-R4 IonicContact OD1-NE 3.18Å; D2-R4 PolarHBondContact OD1-NE 3.25Å; D2-R4 IonicContact OD1-NH2 2.71Å; D2-R4 IonicContact OD2-CZ 3.7Å; D2-R4 IonicContact OD2-NE 3.67Å; D2-R4 PolarHBondContact OD2-NE 2.99Å; D2-R4 IonicContact OD2-NH2 3.3Å; D2-R4 PolarHBondContact OD2-NH2 3Å; D2-V5 HydrophobicContact CB-CG2 4.06Å; D2-V5 PolarHBondContact O-N 3.04Å; D2-V5 VanDerWaalsContact O-N 3.13Å; D2-W24 HydrophobicContact CB-CZ2 3.79Å; D2-W24 PolarHBondContact OD2-NE1 3.1Å
3P61.3Low65.7Low14 Ų14113.6 Ų113.69%0.09155%0.548CS..THydrogen-bonded Turntrans-63.9-17.9-175.924.9-32.8000113.4M1 V5 M21 W24M1-P3 WeakPolarHBondContact O-CD 3.44Å; P3-V5 VanDerWaalsContact C-N 3.27Å; P3-V5 PolarHBondContact O-N 3.4Å; P3-M21 HydrophobicContact CB-CG 4.47Å; P3-M21 HydrophobicContact CB-SD 3.85Å; P3-M21 HydrophobicContact CG-CG 4.33Å; P3-M21 HydrophobicContact CG-SD 3.55Å; P3-M21 VanDerWaalsContact CG-SD 3.55Å; P3-W24 VanDerWaalsContact CD-CD1 3.49Å; P3-W24 VanDerWaalsContact CD-CG 3.49Å; P3-W24 HydrophobicContact CG-CB 4Å; P3-W24 HydrophobicContact CG-CG 4.03Å
4R68.4Low66.4Low161 Ų161107.8 Ų107.861%0.60853%0.532SS*.THydrogen-bonded Turntrans-77-12.5177.8-56.3169.9-65.4178.85.4113.4D2 M21D2-R4 PolarHBondContact O-N 3.37Å; D2-R4 VanDerWaalsContact O-N 3.15Å; D2-R4 VanDerWaalsContact OD1-CB 3.26Å; D2-R4 WeakPolarHBondContact OD1-CB 3.5Å; D2-R4 WeakPolarHBondContact OD1-CG 3.29Å; D2-R4 IonicContact OD1-CZ 2.78Å; D2-R4 PolarHBondContact OD1-N 3.33Å; D2-R4 IonicContact OD1-NE 3.18Å; D2-R4 PolarHBondContact OD1-NE 3.25Å; D2-R4 IonicContact OD1-NH2 2.71Å; D2-R4 IonicContact OD2-CZ 3.7Å; D2-R4 IonicContact OD2-NE 3.67Å; D2-R4 PolarHBondContact OD2-NE 2.99Å; D2-R4 IonicContact OD2-NH2 3.3Å; D2-R4 PolarHBondContact OD2-NH2 3Å; R4-M21 HydrophobicContact CG-CE 3.77Å; R4-M21 HydrophobicContact CG-SD 3.82Å
5V62.5Low66.7Low125 Ų125108.6 Ų108.676%0.75855%0.549SS*.SBendtrans-114.2-4.3-176.4-160.80000111.5D2 P3D2-V5 HydrophobicContact CB-CG2 4.06Å; D2-V5 PolarHBondContact O-N 3.04Å; D2-V5 VanDerWaalsContact O-N 3.13Å; P3-V5 VanDerWaalsContact C-N 3.27Å; P3-V5 PolarHBondContact O-N 3.4Å
6A64.2Low67.1Low46 Ų46106.6 Ų106.638%0.3855%0.553SS.*SBendtrans-84.4131.8173.100000110.7I8A6-I8 HydrophobicContact CB-CD1 4.35Å; A6-I8 HydrophobicContact CB-CG1 4.16Å; A6-I8 PolarHBondContact O-N 3.05Å
7W61.1Low67.8Low246 Ų246102.6 Ų102.693%0.93253%0.533SS*.  trans-72.7123164.6-171.1-66000108.6
8I70.6Confident68.3Low45 Ų45100.4 Ų100.423%0.23153%0.533CS..  trans-124.6131.9-176.4-64174.4000108.1A6 Q12 N17A6-I8 HydrophobicContact CB-CD1 4.35Å; A6-I8 HydrophobicContact CB-CG1 4.16Å; A6-I8 PolarHBondContact O-N 3.05Å; I8-Q12 HydrophobicContact CG2-CB 3.49Å; I8-Q12 VanDerWaalsContact CG2-CB 3.49Å; I8-N17 WeakPolarHBondContact CD1-ND2 3.44Å
9Q69.8Low68.8Low113 Ų113100.3 Ų100.353%0.52853%0.532SS..  trans-66.2150-177.5-60.7-175.7-7200110.8E11 Q12Q9-E11 WeakPolarHBondContact CB-OE2 3.21Å; Q9-E11 PolarHBondContact O-N 2.9Å; Q9-E11 VanDerWaalsContact O-N 3.13Å; Q9-Q12 HydrophobicContact CB-CG 4.38Å; Q9-Q12 WeakPolarHBondContact O-CB 3.49Å; Q9-Q12 PolarHBondContact O-N 2.98Å
10P69.3Low69.1Low94 Ų94103.2 Ų103.261%0.6154%0.535SS*.G310 helixtrans-53.3-37.5-174.6-2735.3000114.1Q12 K13P10-Q12 PolarHBondContact O-N 3.47Å; P10-K13 WeakPolarHBondContact O-CB 3.34Å; P10-K13 PolarHBondContact O-N 3.19Å
11E67.9Low69.6Low151 Ų151100.5 Ų100.571%0.70652%0.521SS*.G310 helixtrans-69.8-21.9-178.1-51.269.8-148.200112Q9 K13Q9-E11 WeakPolarHBondContact CB-OE2 3.21Å; Q9-E11 PolarHBondContact O-N 2.9Å; Q9-E11 VanDerWaalsContact O-N 3.13Å; E11-K13 VanDerWaalsContact C-N 3.34Å
12Q65.8Low70.7Confident107 Ų10797.4 Ų97.450%0.550%0.504SS..G310 helixtrans-88.81.7178.6-64.3170.8-18.600112.7I8 Q9 P10 G14I8-Q12 HydrophobicContact CG2-CB 3.49Å; I8-Q12 VanDerWaalsContact CG2-CB 3.49Å; Q9-Q12 HydrophobicContact CB-CG 4.38Å; Q9-Q12 WeakPolarHBondContact O-CB 3.49Å; Q9-Q12 PolarHBondContact O-N 2.98Å; P10-Q12 PolarHBondContact O-N 3.47Å; Q12-G14 PolarHBondContact O-N 3.34Å
13K71.1Confident71.2Confident151 Ų151100.3 Ų100.366%0.65752%0.519SS*.  trans-81.438.5174.2-61.7-174.7177.6-178.10112.9P10 E11P10-K13 WeakPolarHBondContact O-CB 3.34Å; P10-K13 PolarHBondContact O-N 3.19Å; E11-K13 VanDerWaalsContact C-N 3.34Å
14G75.1Confident72.1Confident32 Ų32102.3 Ų102.333%0.3352%0.524SS..SBendtrans-85.9-177176.200000113.9Q12 A16 N17Q12-G14 PolarHBondContact O-N 3.34Å; G14-A16 PolarHBondContact O-N 3.5Å; G14-A16 VanDerWaalsContact O-N 3.08Å; G14-N17 VanDerWaalsContact O-CB 3.27Å; G14-N17 WeakPolarHBondContact O-CB 3.31Å; G14-N17 PolarHBondContact O-N 2.9Å
15P71.2Confident72.5Confident120 Ų12099.7 Ų99.778%0.77952%0.519SS*.Hα-helixtrans-55.4-29.9-177-27.935.9000115.1N17 A18 L19P15-N17 PolarHBondContact O-N 3.26Å; P15-A18 PolarHBondContact O-N 2.78Å; P15-L19 PolarHBondContact O-N 2.7Å
16A73.2Confident73.1Confident76 Ų7697.8 Ų97.863%0.62851%0.508SS*.Hα-helixtrans-61.7-29.8175.400000113.3G14 W20G14-A16 PolarHBondContact O-N 3.5Å; G14-A16 VanDerWaalsContact O-N 3.08Å; A16-W20 WeakPolarHBondContact O-CB 3.44Å; A16-W20 PolarHBondContact O-N 3.38Å
17N78.8Confident73.3Confident39 Ų3997.6 Ų97.621%0.20950%0.503CS..Hα-helixtrans-69.6-47.4176.1-170.5-50.5000110.8I8 G14 P15 L19 W20 M21I8-N17 WeakPolarHBondContact CD1-ND2 3.44Å; G14-N17 VanDerWaalsContact O-CB 3.27Å; G14-N17 WeakPolarHBondContact O-CB 3.31Å; G14-N17 PolarHBondContact O-N 2.9Å; P15-N17 PolarHBondContact O-N 3.26Å; N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 3.27Å; N17-W20 PolarHBondContact O-N 3.16Å; N17-M21 WeakPolarHBondContact O-CG 3.47Å; N17-M21 PolarHBondContact O-N 3.45Å
18A76.9Confident73.6Confident64 Ų6489.6 Ų89.653%0.52948%0.476SS..Hα-helixtrans-60.7-41.4175.600000112.1P15 M21 Q22P15-A18 PolarHBondContact O-N 2.78Å; A18-M21 WeakPolarHBondContact O-CB 3.47Å; A18-M21 PolarHBondContact O-N 2.67Å; A18-Q22 WeakPolarHBondContact O-CB 3.23Å; A18-Q22 PolarHBondContact O-N 3.39Å
19L78.3Confident72.8Confident98 Ų9889.1 Ų89.151%0.51348%0.483SS..Hα-helixtrans-63.1-41.9174.5-177.861000112P15 N17 Q22 I23P15-L19 PolarHBondContact O-N 2.7Å; N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 3.27Å; L19-Q22 PolarHBondContact O-N 3.2Å; L19-I23 HydrophobicContact CD1-CD1 4.04Å; L19-I23 HydrophobicContact CD1-CG1 4.38Å; L19-I23 HydrophobicContact CG-CD1 3.89Å; L19-I23 WeakPolarHBondContact O-CB 3.43Å; L19-I23 VanDerWaalsContact O-CG1 3.25Å; L19-I23 WeakPolarHBondContact O-CG1 3.26Å; L19-I23 PolarHBondContact O-N 3.25Å
20W74.9Confident71.9Confident157 Ų15788.7 Ų88.760%0.59549%0.488SS*.Hα-helixtrans-64.3-46.3175.8-166.2-21.4000111.4A16 N17 Q22 I23 W24A16-W20 WeakPolarHBondContact O-CB 3.44Å; A16-W20 PolarHBondContact O-N 3.38Å; N17-W20 PolarHBondContact O-N 3.16Å; W20-Q22 VanDerWaalsContact C-N 3.33Å; W20-Q22 PolarHBondContact O-N 2.83Å; W20-I23 PolarHBondContact O-N 3.04Å; W20-W24 WeakPolarHBondContact O-CB 3.26Å; W20-W24 PolarHBondContact O-N 3.18Å
21M80Confident70.8Confident47 Ų4791.5 Ų91.523%0.23249%0.486CS..Hα-helixtrans-51.5-50.9173-77.8-73.2-5800111.4P3 R4 N17 A18 I23 W24 E25P3-M21 HydrophobicContact CB-CG 4.47Å; P3-M21 HydrophobicContact CB-SD 3.85Å; P3-M21 HydrophobicContact CG-CG 4.33Å; P3-M21 HydrophobicContact CG-SD 3.55Å; P3-M21 VanDerWaalsContact CG-SD 3.55Å; R4-M21 HydrophobicContact CG-CE 3.77Å; R4-M21 HydrophobicContact CG-SD 3.82Å; N17-M21 WeakPolarHBondContact O-CG 3.47Å; N17-M21 PolarHBondContact O-N 3.45Å; A18-M21 WeakPolarHBondContact O-CB 3.47Å; A18-M21 PolarHBondContact O-N 2.67Å; M21-I23 PolarHBondContact O-N 2.8Å; M21-W24 PolarHBondContact O-N 2.74Å; M21-E25 WeakPolarHBondContact O-CG 3.27Å; M21-E25 PolarHBondContact O-N 3.06Å
22Q77.7Confident69.8Low122 Ų12288.8 Ų88.857%0.5748%0.48SS*.Hα-helixtrans-65-39.2-179.4-168.6177.79.400113.1A18 L19 W20 T26A18-Q22 WeakPolarHBondContact O-CB 3.23Å; A18-Q22 PolarHBondContact O-N 3.39Å; L19-Q22 PolarHBondContact O-N 3.2Å; W20-Q22 VanDerWaalsContact C-N 3.33Å; W20-Q22 PolarHBondContact O-N 2.83Å; Q22-T26 WeakPolarHBondContact O-CB 3.38Å; Q22-T26 WeakPolarHBondContact O-CG2 3.45Å; Q22-T26 PolarHBondContact O-N 2.92Å; Q22-T26 PolarHBondContact O-OG1 3.01Å
23I78.4Confident68.5Low99 Ų9990 Ų9051%0.50849%0.49SS..Hα-helixtrans-65.9-38.9173.8-70.7167.6000110.9L19 W20 M21 T26 S27L19-I23 HydrophobicContact CD1-CD1 4.04Å; L19-I23 HydrophobicContact CD1-CG1 4.38Å; L19-I23 HydrophobicContact CG-CD1 3.89Å; L19-I23 WeakPolarHBondContact O-CB 3.43Å; L19-I23 VanDerWaalsContact O-CG1 3.25Å; L19-I23 WeakPolarHBondContact O-CG1 3.26Å; L19-I23 PolarHBondContact O-N 3.25Å; W20-I23 PolarHBondContact O-N 3.04Å; M21-I23 PolarHBondContact O-N 2.8Å; I23-T26 WeakPolarHBondContact CA-OG1 3.33Å; I23-T26 PolarHBondContact O-OG1 3.34Å; I23-S27 VanDerWaalsContact O-CB 3.29Å; I23-S27 WeakPolarHBondContact O-CB 3.46Å; I23-S27 PolarHBondContact O-N 3.41Å
24W78.9Confident67Low56 Ų5687.2 Ų87.221%0.21249%0.489CS..Hα-helixtrans-66.1-49.5178-177.5-106.5000111.3D2 P3 W20 M21 S27 Q28D2-W24 HydrophobicContact CB-CZ2 3.79Å; D2-W24 PolarHBondContact OD2-NE1 3.1Å; P3-W24 VanDerWaalsContact CD-CD1 3.49Å; P3-W24 VanDerWaalsContact CD-CG 3.49Å; P3-W24 HydrophobicContact CG-CB 4Å; P3-W24 HydrophobicContact CG-CG 4.03Å; W20-W24 WeakPolarHBondContact O-CB 3.26Å; W20-W24 PolarHBondContact O-N 3.18Å; M21-W24 PolarHBondContact O-N 2.74Å; W24-S27 PolarHBondContact O-N 2.86Å; W24-S27 PolarHBondContact O-OG 3.3Å; W24-Q28 WeakPolarHBondContact O-CG 3.42Å; W24-Q28 PolarHBondContact O-N 2.92Å
25E77.4Confident65.3Low105 Ų10589.3 Ų89.349%0.49150%0.503SS..Hα-helixtrans-62.8-44.6-179.5-70.6174.417000112.2M21 S27 Q28 G29M21-E25 WeakPolarHBondContact O-CG 3.27Å; M21-E25 PolarHBondContact O-N 3.06Å; E25-S27 PolarHBondContact O-N 2.78Å; E25-Q28 PolarHBondContact O-N 2.74Å; E25-G29 PolarHBondContact O-N 3.4Å
26T74.4Confident63.6Low86 Ų8691.5 Ų91.553%0.52850%0.502SS..Hα-helixtrans-63.8-38.1174.751.20000112.4Q22 I23 Q28 G29 V30Q22-T26 WeakPolarHBondContact O-CB 3.38Å; Q22-T26 WeakPolarHBondContact O-CG2 3.45Å; Q22-T26 PolarHBondContact O-N 2.92Å; Q22-T26 PolarHBondContact O-OG1 3.01Å; I23-T26 WeakPolarHBondContact CA-OG1 3.33Å; I23-T26 PolarHBondContact O-OG1 3.34Å; T26-Q28 PolarHBondContact O-N 2.93Å; T26-G29 PolarHBondContact O-N 3.32Å; T26-V30 PolarHBondContact O-N 2.83Å
27S69.2Low61.8Low41 Ų4193.5 Ų93.529%0.28751%0.507SS..Hα-helixtrans-62.6-26175.880.80000114I23 W24 E25 R31I23-S27 VanDerWaalsContact O-CB 3.29Å; I23-S27 WeakPolarHBondContact O-CB 3.46Å; I23-S27 PolarHBondContact O-N 3.41Å; W24-S27 PolarHBondContact O-N 2.86Å; W24-S27 PolarHBondContact O-OG 3.3Å; E25-S27 PolarHBondContact O-N 2.78Å; S27-R31 WeakPolarHBondContact O-CG 3.06Å
28Q66.8Low59.6Low78 Ų78102.5 Ų102.536%0.36454%0.538SS..Hα-helixtrans-82-38177.5-64.9-7578.700111.6W24 E25 T26 V30 R31 T32W24-Q28 WeakPolarHBondContact O-CG 3.42Å; W24-Q28 PolarHBondContact O-N 2.92Å; E25-Q28 PolarHBondContact O-N 2.74Å; T26-Q28 PolarHBondContact O-N 2.93Å; Q28-V30 VanDerWaalsContact C-N 3.32Å; Q28-V30 PolarHBondContact O-N 2.69Å; Q28-R31 WeakPolarHBondContact O-CB 3.42Å; Q28-R31 PolarHBondContact O-N 3.24Å; Q28-R31 VanDerWaalsContact O-N 3.14Å; Q28-T32 PolarHBondContact O-N 2.92Å
29G53.3Low57.4Low36 Ų36106.2 Ų106.237%0.37155%0.549SS..Hα-helixtrans-62.8-33.8175.300000114.1E25 T26 R31 T32E25-G29 PolarHBondContact O-N 3.4Å; T26-G29 PolarHBondContact O-N 3.32Å; G29-R31 VanDerWaalsContact C-N 3.3Å; G29-R31 PolarHBondContact O-N 3Å; G29-T32 PolarHBondContact O-OG1 2.81Å
30V51.8Low55Low103 Ų103110 Ų11062%0.62456%0.564SS**Hα-helixtrans-67.6-31.2175176.70000111.8T26 Q28 S34T26-V30 PolarHBondContact O-N 2.83Å; Q28-V30 VanDerWaalsContact C-N 3.32Å; Q28-V30 PolarHBondContact O-N 2.69Å; V30-S34 PolarHBondContact O-N 3.08Å
31R46.8Very low52.7Low153 Ų153108 Ų10858%0.57757%0.573SS**Hα-helixtrans-70.6-37.4-179.9-73169.5169.6159.4-0.2112.7S27 Q28 G29 S34 A35S27-R31 WeakPolarHBondContact O-CG 3.06Å; Q28-R31 WeakPolarHBondContact O-CB 3.42Å; Q28-R31 PolarHBondContact O-N 3.24Å; Q28-R31 VanDerWaalsContact O-N 3.14Å; G29-R31 VanDerWaalsContact C-N 3.3Å; G29-R31 PolarHBondContact O-N 3Å; R31-S34 PolarHBondContact O-N 2.64Å; R31-A35 PolarHBondContact O-N 2.85Å
32T44.8Very low50.3Low94 Ų94117.1 Ų117.158%0.57761%0.605SS**Hα-helixtrans-67.1-35.8176.132.70000112.8Q28 G29 A35Q28-T32 PolarHBondContact O-N 2.92Å; G29-T32 PolarHBondContact O-OG1 2.81Å; T32-A35 PolarHBondContact O-N 3.46Å
33L40Very low47.9Very low134 Ų134117.1 Ų117.170%0.70262%0.617SS**Hα-helixtrans-67.4-37.3174.9-82.5157.5000113.1A35L33-A35 VanDerWaalsContact C-N 3.28Å; L33-A35 PolarHBondContact O-N 3.22Å
34S38.4Very low45.6Very low92 Ų92118.4 Ų118.464%0.64363%0.63SS**Hα-helixtrans-70.2-22.2177.8-163.80000113.5V30 R31V30-S34 PolarHBondContact O-N 3.08Å; R31-S34 PolarHBondContact O-N 2.64Å
35A39.3Very low43.2Very low75 Ų75121.4 Ų121.462%0.6266%0.659SS**Hα-helixtrans-77.6-30.4178.900000113.8R31 T32 L33R31-A35 PolarHBondContact O-N 2.85Å; T32-A35 PolarHBondContact O-N 3.46Å; L33-A35 VanDerWaalsContact C-N 3.28Å; L33-A35 PolarHBondContact O-N 3.22Å
36H35.4Very low41.3Very low167 Ų167126.8 Ų126.877%0.77368%0.676SS**THydrogen-bonded Turntrans-84.5-10.6-171.1-90.8-66.1000115.6
37T35.7Very low39.3Very low117 Ų117127.6 Ų127.672%0.71869%0.691SS**THydrogen-bonded Turntrans-92.58.5-170.930.80000115.7
38R33.5Very low37.6Very low228 Ų228130.3 Ų130.386%0.8672%0.716SS**SBendtrans-125.3-5.2-176.1-86.5-172.1173.1-179.1-1118.4
39N30.8Very low36.1Very low143 Ų143134.2 Ų134.277%0.76574%0.739SS**  trans-142.996.7175.2-85.8-38.4000111.5
40H28.4Very low35.2Very low178 Ų178141.7 Ų141.782%0.82477%0.767SS**  trans-177.5118.1130.3-101.1-62.1000111.9
41S26.6Very low34.4Very low114 Ų114141.2 Ų141.280%0.79777%0.774SS**  trans-135.9100.6159.7460000108.9
42R28.7Very low33.7Very low239 Ų239141.7 Ų141.790%0.90279%0.787SS**SBendtrans66.9141-173-54.2173.5171.7176.2-4.8112.9
43C27.8Very low33.2Very low122 Ų122144.9 Ų144.982%0.82480%0.8SS**  cis-122.1170.711.6-142.70000112.9
44V30.1Very low33.2Very low126 Ų126146.1 Ų146.176%0.76481%0.808SS**  trans-101.7142.1-173.5176.40000111.3
45S28.5Very low33.1Very low118 Ų118148.3 Ų148.383%0.82582%0.816SS**  trans-114.6142.5159.3-172.30000109.8
46Y36.3Very low32.7Very low219 Ų219149.4 Ų149.486%0.85983%0.826SS**SBendtrans-108.584.3-153.8-161.9-87.3000112
47A34.2Very low32.5Very low102 Ų102146.6 Ų146.684%0.84383%0.832SS**SBendtrans-149.3-18.8179.100000116.3
48A33.2Very low32.5Very low98 Ų98146 Ų14681%0.8184%0.838SS**  trans-115.223.9-163.900000115.5
49L34.2Very low32.5Very low161 Ų161139.5 Ų139.584%0.84383%0.833SS**  trans-108.928.9-172.7-151.882.8000114.7
50M34.1Very low32.4Very low193 Ų193137.9 Ų137.995%0.95184%0.84SS**SBendtrans-137.334.8-176-77.5-66.1177.800113.9
51A35.5Very low32.4Very low93 Ų93135.2 Ų135.277%0.76984%0.841SS**SBendtrans-134.9-22-176.600000116.8
52L32.1Very low32.4Very low163 Ų163135.1 Ų135.185%0.85384%0.839SS**  trans-136.682.8-176.7-81173.6000112.3
53N34.5Very low32.5Very low160 Ų160133 Ų13386%0.85684%0.837SS**SBendtrans-138.317.6166.8-149.522.9000113.3
54N39.7Very low32.5Very low161 Ų161132.6 Ų132.686%0.86184%0.835SS**SBendtrans-123.63.1-168.4-89-9.3000115.9
55V35.8Very low32.4Very low137 Ų137130.6 Ų130.683%0.8383%0.832SS**SBendtrans-135.756.3-179.9-1620000112.4
56A30.6Very low32.3Very low99 Ų99131 Ų13182%0.81883%0.834SS**SBendtrans-153.8-0167.100000114.9A58A56-A58 PolarHBondContact O-N 3.32Å
57A31.5Very low31.8Very low108 Ų108126 Ų12689%0.89383%0.831SS**  trans-100.547.2-175.400000112.7
58A37.2Very low32.5Very low104 Ų104127 Ų12786%0.8683%0.828SS**SBendtrans-133.326.9-173.600000113.9A56A56-A58 PolarHBondContact O-N 3.32Å
59A33.8Very low32.3Very low91 Ų91126.4 Ų126.475%0.75282%0.818SS**SBendtrans-151.6154.5167.100000110.2
60A28.4Very low32.1Very low109 Ų109126.7 Ų126.790%0.90182%0.821SS**  trans59.752172.400000117.3
61S27.1Very low31.8Very low122 Ų122121 Ų12185%0.85381%0.812SS**  trans-82.2108.7153.5-179.60000109.9
62C28Very low31.6Very low113 Ų113123.9 Ų123.976%0.76481%0.814SS**  trans-173.1140.5153.8-113.40000113
63K29Very low31.5Very low194 Ų194121.6 Ų121.684%0.84381%0.807SS**  trans73.490.5160-60.1179.3-179.3179.90119.8
64S28.3Very low31.4Very low113 Ų113120.3 Ų120.379%0.7981%0.805SS**  73.495.5107.7-170.30000122
65A28.3Very low31Very low85 Ų85116.2 Ų116.270%0.70280%0.801SS**  82.7146.1119.400000123.6
66C26.7Very low30.7Very low127 Ų127114.8 Ų114.886%0.85880%0.797SS**  trans72.8111.6155.1-62.40000122.3
67S25.6Very low30.9Very low114 Ų114117.9 Ų117.980%0.79780%0.799SS**  trans-75.3-177.3147.9-37.60000110.9
68P48.9Very low31Very low121 Ų121117.7 Ų117.779%0.78679%0.791SS**  cis-131-134.86.332.3-4.7000111.6
69S29.7Very low30.8Very low86 Ų86120.4 Ų120.460%0.60179%0.791SS**  cis-166.8151.50.524.80000113.7
70N30.1Very low30.6Very low168 Ų168118.7 Ų118.790%0.89878%0.782SS**  trans73.5154.6144.6-66.9-4.3000123.8
71G27.8Very low30.7Very low74 Ų74119.6 Ų119.676%0.76378%0.782SS**  trans97.9107.6165.100000115.1
72N30Very low30.9Very low152 Ų152118.7 Ų118.781%0.81378%0.776SS**  cis89.2145.512.2-154.421.5000117.4
73V31.4Very low31Very low116 Ų116121.8 Ų121.870%0.70378%0.779SS**  trans77.5141.1169.5-178.70000117.7
74T31.8Very low31.2Very low132 Ų132120.4 Ų120.481%0.8178%0.775SS**  cis-168.3156.3-38.744.80000111.1
75G30.3Very low31.3Very low76 Ų76119.2 Ų119.278%0.78477%0.766SS**  trans108.7156147.600000118.4
76S31.1Very low31.5Very low107 Ų107122.3 Ų122.375%0.74877%0.77SS**  cis-167.9144.4-9.6-153.50000113.8
77L32.9Very low31.6Very low164 Ų164124 Ų12486%0.85977%0.767SS**  trans57.6149.5158.1-64.8160.3000119.7
78S35.1Very low31.7Very low103 Ų103125 Ų12572%0.7276%0.764SS**  cis-161.7-172.5-15.360.80000106.9
79N32.3Very low30.9Very low161 Ų161124.9 Ų124.986%0.86176%0.764SS**  cis-156.1-166.11.5-146.4-1.8000106.7
80G29.4Very low31.7Very low56 Ų56126.7 Ų126.758%0.57777%0.774SS**  cis164.6169.5-2.600000112.7
81S30.3Very low31.7Very low128 Ų128123.3 Ų123.390%0.89577%0.769SS**  trans79.9156.7171.6-1500000120.4
82S31.5Very low31.8Very low103 Ų103130.7 Ų130.772%0.7277%0.774SS**  trans-153.9172.5-157.2-53.50000114.8
83H29.8Very low31.8Very low177 Ų177129.1 Ų129.182%0.81978%0.775SS**  trans147.3119.9153.5-82-66.5000111.3
84H34.7Very low31.7Very low165 Ų165127.3 Ų127.376%0.76478%0.78SS**  78.7138.580.5-99.7-97000115.7
85S30.2Very low31.5Very low88 Ų88125 Ų12562%0.61578%0.783SS**  cis-153.6161.74.4-36.10000111.8
86I31.2Very low31.4Very low150 Ų150125.3 Ų125.377%0.76979%0.786SS**  61137.495.9-55.5174.6000114.8
87M28.6Very low31.5Very low164 Ų164125.2 Ų125.281%0.80879%0.791SS**  cis-142.6-123.733.6-149.4-150.8-167.500118.8
88N29.5Very low31.2Very low135 Ų135121.6 Ų121.672%0.72279%0.785SS**  trans-139.1165-148.9-88.1-28.4000119.7
89C30.7Very low31Very low117 Ų117122.9 Ų122.979%0.79179%0.789SS**  trans-37.6169.7163.4-48.70000119.9
90P48Very low30.9Very low124 Ų124121 Ų12181%0.80579%0.788SS**  -157.7172.68042.6-22.1000120.9
91A29.8Very low31Very low98 Ų98122.3 Ų122.381%0.8179%0.793SS**  trans75.4156.5155.700000119.7
92R28.9Very low30.9Very low228 Ų228125.8 Ų125.886%0.8680%0.796SS**  cis-160.2144.22.8-154.5178.2-176.7172.7-0.6112.3
93S30.6Very low30.7Very low120 Ų120124.7 Ų124.784%0.83980%0.801SS**  trans53.8150.3157.847.90000121.6
94G28.4Very low30.8Very low77 Ų77123 Ų12379%0.79480%0.802SS**  cis152.9124.7-11.400000115
95G27.7Very low31.1Very low85 Ų85121.5 Ų121.588%0.87681%0.808SS**  trans76.7151.2173.300000116.2
96G28.9Very low30.9Very low82 Ų82121.5 Ų121.585%0.84581%0.813SS**  cis106.5143.31.600000113.7
97A32Very low30.9Very low105 Ų105120.4 Ų120.487%0.86881%0.814SS**  cis-171.8159-13.100000110.7
98A28.3Very low30.9Very low88 Ų88120.3 Ų120.373%0.72782%0.816SS**  trans-179124.915500000109.2
99T30.6Very low30.9Very low129 Ų129117 Ų11779%0.79181%0.814SS**  cis71.1110.547.1690000113.8
100S30.2Very low30.9Very low122 Ų122118.1 Ų118.185%0.85382%0.818SS**  166.1168.981.346.30000108.6
101A30.2Very low29.9Very low83 Ų83116.8 Ų116.869%0.68682%0.817SS**  cis-165.8164.8-23.100000110.2
102Q29.5Very low29.9Very low202 Ų202121 Ų12194%0.94482%0.82SS**  trans42.3140.6150.8-68.2174.8-16.400123.1
103G26.4Very low29.8Very low80 Ų80115.6 Ų115.683%0.82582%0.817SS**  trans143108.2145.400000118.7
104T33.2Very low29.7Very low140 Ų140115 Ų11586%0.85981%0.813SS**  trans-115.1157.4153.843.40000107.5
105P39.3Very low29.8Very low134 Ų134119.3 Ų119.387%0.8782%0.817SS**  cis-141.1-149.842.741.3-18.9000115
106A27.9Very low30.4Very low88 Ų88121.6 Ų121.673%0.72782%0.816SS**  trans-109.7166.4-164.700000115.3
107T29.8Very low30.3Very low128 Ų128126 Ų12679%0.78582%0.817SS**  trans-173.1139.4136.123.40000115.6
108N29.9Very low30.3Very low161 Ų161124.8 Ų124.886%0.86181%0.807SS**  trans59.8146.1142.7-63-5.4000125.3
109G28.1Very low30.1Very low65 Ų65128.8 Ų128.867%0.6782%0.816SS**  trans124.580.717600000112.2
110T30.4Very low30Very low142 Ų142130.8 Ų130.887%0.87182%0.816SS**  52.3128.767.7-4.50000113.3
111A27.2Very low30.8Very low96 Ų96129.8 Ų129.879%0.79381%0.807SS**  cis-141.4-169.618.200000114.5
112Q29.7Very low30.7Very low185 Ų185131.3 Ų131.386%0.86481%0.813SS**  trans-121.8-177-169.1-65.6-175.9-25.800114.2
113S28.4Very low30.5Very low115 Ų115125.2 Ų125.280%0.80480%0.804SS**  trans84.2147.1159.879.30000117.4
114S26.6Very low30.6Very low108 Ų108126.1 Ų126.176%0.75580%0.804SS**  cis-163161-9.434.20000112.5
115L32.2Very low30.3Very low167 Ų167128.3 Ų128.387%0.87480%0.801SS**  trans-96.9156.6161.8-65.7167.4000109.4
116P39.1Very low29.9Very low134 Ų134129 Ų12987%0.8780%0.796SS**  -155.3-156.891.342.6-21.8000115.8
117M26.8Very low30.7Very low174 Ų174130.5 Ų130.586%0.85780%0.799SS**  trans-81.5149.5-170-82.9172.551.800118
118A32Very low30.8Very low79 Ų79130.7 Ų130.765%0.65379%0.794SS**  trans36.2136.4132.300000123.7
119N25.3Very low31.6Very low172 Ų172129.1 Ų129.192%0.9279%0.792SS**  -170.4163.3129.8-103.1-24.6000114.2
120E28.5Very low31.7Very low171 Ų171134.8 Ų134.880%0.79980%0.798SS**  trans-93.6-164.3165.5-127.9-153.5-116.900109.5
121P46.1Very low31.5Very low101 Ų101135.3 Ų135.366%0.65680%0.801SS**  cis-143.1-173.39.244-23.9000118.9
122S28.1Very low31.4Very low115 Ų115134.3 Ų134.380%0.80480%0.801SS**  trans86.7147.7146.278.40000122.1
123G26.1Very low31.3Very low75 Ų75131.2 Ų131.277%0.77380%0.8SS**  trans-169-47.7-176.300000123.5
124A27.3Very low31.2Very low99 Ų99132.5 Ų132.582%0.81880%0.802SS**  trans68.6163.5-176.800000116.8
125K26.8Very low31.2Very low185 Ų185132.2 Ų132.280%0.80480%0.8SS**  cis-165.1138.7-8.8-124.6174.2-174.4177.80112.2
126I30.7Very low30.9Very low148 Ų148129.5 Ų129.576%0.75980%0.795SS**  42.9137.6128.3-71.5177.2000120.2
127P44.9Very low30.2Very low121 Ų121130.7 Ų130.779%0.78679%0.793SS**  cis-145.7-176.249.332.2-7.1000120
128I32.8Very low30.2Very low132 Ų132126.9 Ų126.968%0.67778%0.784SS**  trans-98177.7176-21.8175.3000111
129P45.5Very low29.9Very low127 Ų127128 Ų12883%0.82579%0.787SS**  -136169.7112.239.1-30.6000115.7
130K30.3Very low30.1Very low185 Ų185128.3 Ų128.380%0.80478%0.783SS**  trans-118.9149.8-179.8-52.5171.3-179.5175.90111.9
131T27.1Very low30Very low152 Ų152128.4 Ų128.493%0.93378%0.783SS**  trans-161.7144.8143.641.80000107.8
132G25Very low29.1Very low76 Ų76128.2 Ų128.278%0.78478%0.784SS**  cis-171175-3.100000109.4
133S27.6Very low28.9Very low120 Ų120125.6 Ų125.684%0.83978%0.776SS**  trans-125.9137.9-174.9-50.60000112.1
134V26.6Very low29Very low141 Ų141128.4 Ų128.486%0.85578%0.778SS**  trans-165.4148159.8-102.40000112.6
135S26.3Very low28.9Very low103 Ų103132.8 Ų132.872%0.7278%0.782SS**  trans56.3133.2160.645.50000119.7
136S25.1Very low29.3Very low109 Ų109129.3 Ų129.376%0.76278%0.78SS**  cis89.9149.926.3-540000115.5
137L25.9Very low29.9Very low159 Ų159127.7 Ų127.783%0.83278%0.779SS**  trans73.7138-178.1-87.571.6000114.5
138S26.1Very low29.1Very low94 Ų94127.9 Ų127.966%0.65778%0.778SS**  cis60.5115.818.182.50000114.9
139S26.7Very low28.7Very low102 Ų102126.7 Ų126.771%0.71378%0.782SS**  -155.1161.555.4-63.20000109.2
140Q29.7Very low27.8Very low180 Ų180125.6 Ų125.684%0.84178%0.777SS**  48.793.663.6-174.6-174.711.200114.2
141E25.5Very low27.5Very low173 Ų173122.5 Ų122.581%0.80878%0.779SS**  trans-175.3138.2141.5-82.8-129.280.800106.1
142S26.9Very low27.5Very low96 Ų96120.6 Ų120.667%0.67177%0.771SS**  93153.650.5103.90000112.7
143G24.7Very low27.5Very low61 Ų61126.2 Ų126.263%0.62978%0.775SS**  trans84.7113.3-173.400000113.7
144T28.6Very low28Very low134 Ų134126.1 Ų126.182%0.82277%0.771SS**  cis99.9135.93165.90000115.1
145E25.1Very low28Very low191 Ų191127 Ų12789%0.89377%0.766SS**  trans81.3128.7159.6-71.2177.9-169.300121.7
146S34.9Very low28Very low111 Ų111133.6 Ų133.678%0.77678%0.775SS**  trans-78.8-176.1162.2-440000110.1
147P42.7Very low28.1Very low114 Ų114133.5 Ų133.574%0.7477%0.77SS**  -159.6174.687.440.4-19.4000117.8
148V27.4Very low28.2Very low125 Ų125134.4 Ų134.476%0.75878%0.775SS**  trans58.6148.6165.5-117.90000117
149S25.8Very low28.2Very low108 Ų108133.8 Ų133.876%0.75578%0.784SS**  cis-151143.516.4-56.40000108.5
150S24.8Very low28.1Very low104 Ų104132.3 Ų132.373%0.72778%0.784SS**  cis106.180.424.977.50000115.5
151S24.9Very low28Very low120 Ų120131.7 Ų131.784%0.83979%0.787SS**  trans-179.8150.2157.752.40000110.6
152S26.1Very low28.2Very low111 Ų111130 Ų13078%0.77679%0.788SS**  cis-168.4147-23.846.10000109.9
153F26Very low28.1Very low194 Ų194129 Ų12985%0.85179%0.792SS**  trans-75.5159.6172.9-73.5-85.2000112.3
154P39.1Very low28.3Very low118 Ų118130 Ų13077%0.76680%0.803SS**  -127.216673.539.6-29.5000113
155E25.9Very low28.3Very low161 Ų161130.9 Ų130.975%0.75280%0.803SS**  cis86.610017.8-160.4-178.4-150.100118.5
156R26.2Very low28.4Very low240 Ų240130.8 Ų130.891%0.90680%0.8SS**  trans178.6140.8140.5-99.4173.6-172.5-143.11.3108.4
157T27.2Very low28.1Very low107 Ų107131 Ų13166%0.65679%0.792SS**  cis119.2114-1.9-58.40000114.3
158L28.2Very low27.5Very low178 Ų178133.3 Ų133.393%0.93279%0.79SS**  trans78.8141.3161.7-113.870.9000122.9
159G25Very low27.4Very low82 Ų82134 Ų13485%0.84579%0.79SS**  trans118.4126.3163.500000115.1
160G25.7Very low27.5Very low70 Ų70135.5 Ų135.572%0.72279%0.794SS**  cis163.8139.5-11.300000113.9
161N26.7Very low27.6Very low168 Ų168134.2 Ų134.290%0.89880%0.798SS**  trans56.1171.1175.5-59-4.1000115.1
162V29.7Very low27.5Very low138 Ų138132 Ų13284%0.83679%0.793SS**  cis-143.5155.317.1172.90000105.6
163G25.6Very low27.5Very low73 Ų73131.9 Ų131.975%0.75380%0.799SS**  cis117.811616.800000110
164G28.2Very low27.5Very low83 Ų83125.7 Ų125.786%0.85679%0.79SS**  trans163.284.3-179.800000117.1
165D28.7Very low27Very low153 Ų153127.8 Ų127.882%0.81879%0.794SS**  trans-72.5156.9159.2-76.3-70.5000111.7
166F27.8Very low26.9Very low189 Ų189126.5 Ų126.583%0.82979%0.792SS**  -176.3123.4124-99.3-61.1000113.6
167N29Very low26.8Very low115 Ų115122.1 Ų122.162%0.61579%0.785SS**  trans25.4146.4134.5-72.9-32000121.1
168K29.6Very low26.5Very low162 Ų162120 Ų12070%0.70478%0.784SS**  cis-166.7170.96.4-125.2160.9-170172.20112.5
169N25.5Very low26.3Very low139 Ų139118.9 Ų118.974%0.74378%0.779SS**  trans-12.1152.6154-50.70.9000117.2
170V27.5Very low26.3Very low140 Ų140120.4 Ų120.485%0.84877%0.768SS**  -165.814164.2161.60000112.4
171G26Very low26.2Very low78 Ų78124.1 Ų124.180%0.80477%0.771SS**  trans77152.514800000118.5
172G23.5Very low26.1Very low72 Ų72119.8 Ų119.874%0.74277%0.766SS**  cis144.6116.9-8.400000113.2
173A27.1Very low25.9Very low110 Ų110117.6 Ų117.691%0.90976%0.762SS**  trans62.8154-175.400000115.6
174G26.4Very low26Very low64 Ų64122.2 Ų122.266%0.6676%0.764SS**  cis140.4159.4-9.400000113.7
175L27.3Very low25.9Very low161 Ų161124.5 Ų124.584%0.84376%0.757SS**  trans71.5152.2174.6-42177.1000115.8
176L24.1Very low25.8Very low135 Ų135124.4 Ų124.471%0.70776%0.757SS**  cis-158.8166.2-27.3-102.9178000108.4
177L23.3Very low25.8Very low147 Ų147119.3 Ų119.377%0.7775%0.749SS**  trans10.4145.4150.6-55.4164.7000120.5
178G22.3Very low25.9Very low62 Ų62120.4 Ų120.464%0.63976%0.755SS**  cis124.1156.62.800000113.7
179L23.8Very low25.9Very low155 Ų155118.5 Ų118.581%0.81275%0.752SS**  trans69.7156.7172.1-45.2176.6000114.9
180N23.8Very low25.9Very low114 Ų114121 Ų12161%0.6175%0.752SS**  cis-159.2167.9-12.7-124.932.6000111.7
181D23.8Very low26Very low148 Ų148121.1 Ų121.179%0.79174%0.743SS**  trans52.7162.4149-56-35.1000122.8
182G24.3Very low26.3Very low77 Ų77123.6 Ų123.679%0.79473%0.734SS**  trans141.471.215100000119.7
183A26.1Very low26.7Very low92 Ų92127.7 Ų127.776%0.7673%0.734SS**  trans-35.6139.6172.400000121.3
184E28.4Very low26.9Very low171 Ų171129.5 Ų129.580%0.79972%0.723SS**  trans69.3157.5138.5-65.4-170.5-179.600125.6
185N25.1Very low27.1Very low131 Ų131133.7 Ų133.770%0.70173%0.725SS**  trans87.791.4150-69-53.2000123.3
186N27.5Very low27Very low151 Ų151136.4 Ų136.481%0.80772%0.724SS**  56.7127.7111.2-139.41000122.8
187A28.4Very low26.9Very low81 Ų81134.8 Ų134.867%0.66973%0.725SS**  trans72.2159.5152.800000118.5
188N29.4Very low28.3Very low139 Ų139133 Ų13374%0.74372%0.721SS**  cis-165.5165.3-7.6-131.5-16.1000114.1
189L29.5Very low28.4Very low122 Ų122138.5 Ų138.564%0.63973%0.731SS**  trans64.5164.1156.7-94.459.3000119
190Y26.3Very low28.5Very low191 Ų191139.7 Ų139.775%0.74973%0.732SS**  cis-136.5-163.815-102.3-69.5000110.2
191H30.3Very low28.5Very low142 Ų142143 Ų14366%0.65774%0.743SS**  cis-143.5-120.76.1-146.6-68.2000115.1
192Q31.7Very low29.2Very low131 Ų131141.4 Ų141.461%0.61274%0.741SS**  trans-152.4-175.3-162.3-65.4-177.2-53.800111.8
193Q31.6Very low29.4Very low158 Ų158142 Ų14274%0.73874%0.739SS**  cis-161.7-177.126.6-148.7161.714.500114.9
194H31.5Very low29.3Very low147 Ų147147 Ų14768%0.68174%0.744SS**  trans-84.1-173.8-162.3-32.9-70.1000116.4
195Q30.9Very low29.2Very low152 Ų152145.3 Ų145.371%0.7174%0.74SS**  cis-152.6-157.819-135.9168.67700109.1
196R24.6Very low29.3Very low218 Ų218146 Ų14682%0.82374%0.743SS**  cis-150.4-129.49.3-150.7167.7-145.8-122.3-1.5114.8
197S22.2Very low29.2Very low102 Ų102146.3 Ų146.371%0.71374%0.739SS**  trans-155.4-162.5-165.357.10000114
198P51.9Low29.3Very low108 Ų108150.4 Ų150.470%0.70175%0.745SS**  -128.3-149.5-101.941.9-20.8000116.9
199E25.8Very low29.1Very low178 Ų178151.4 Ų151.483%0.83275%0.749SS**  trans87.1152.5174.9-63.1168.7158.300116.7
200E24.9Very low28.8Very low180 Ų180151.4 Ų151.484%0.84176%0.757SS**  cis-152.6-171.68.9-142.3178.1-17200114.1
201H23.8Very low28.8Very low183 Ų183146.2 Ų146.285%0.84775%0.754SS**  trans-109.2-161.5178.7-80.4-69.7000111.8
202P39.4Very low28.8Very low116 Ų116148.3 Ų148.375%0.75376%0.761SS**  cis-127.2161.4-10.944.1-27.1000114.8
203A27.3Very low28.5Very low89 Ų89148.6 Ų148.674%0.73676%0.763SS**  70.713482.300000119.9
204F24.8Very low28.3Very low198 Ų198148.6 Ų148.687%0.86876%0.762SS**  trans176.3117.9144-103.2-80.9000107.9
205N26.8Very low28Very low135 Ų135150.4 Ų150.472%0.72277%0.771SS**  63.3143.488.2-116.5-9.4000114.9
206L25.6Very low27.7Very low145 Ų145148.7 Ų148.776%0.75977%0.771SS**  cis-149.3172.622.2-176.160.3000113
207Q26.3Very low27.6Very low157 Ų157145.4 Ų145.473%0.73477%0.765SS**  trans-71.1-176.7169.7-64.4170.5-27.200111.7
208Q29.5Very low27.8Very low167 Ų167149.3 Ų149.378%0.7877%0.771SS**  cis-179.2-176.146.8-157.2179.240.400112.6
209I25.6Very low26.5Very low161 Ų161149.8 Ų149.883%0.82678%0.777SS**  trans91.7148.6165.8-56.4173.7000116.3
210C23.5Very low26.6Very low121 Ų121145.9 Ų145.982%0.81878%0.775SS**  trans-156.7156-156.7-174.20000114.6
211A27.3Very low26.7Very low83 Ų83143.6 Ų143.669%0.68677%0.773SS**  trans87.8151153.700000122.5
212K29.2Very low26.9Very low185 Ų185140.2 Ų140.280%0.80477%0.768SS**  trans82.3142.3163.8-64.3-171178.1-179.10119.5
213Q25.8Very low26.4Very low138 Ų138140.7 Ų140.765%0.64577%0.768SS**  cis-169142-28-127.5173.8-22.200113.2
214H27.2Very low26.4Very low158 Ų158144 Ų14473%0.73177%0.773SS**  trans70.9155.4150.8-68.3139.6000124.7
215Q25.4Very low26.5Very low184 Ų184143.1 Ų143.186%0.8677%0.771SS**  trans76.8141.9168.4-55.7-159.615.500118.2
216V25Very low26.7Very low117 Ų117142.5 Ų142.571%0.70977%0.773SS**  cis-156157.3-17.9120.50000109.4
217H23.3Very low27Very low149 Ų149144.4 Ų144.469%0.6978%0.777SS**  trans12.1131.5169.4-76.8-93.5000121.6
218H24.7Very low27.2Very low184 Ų184144.6 Ų144.685%0.85278%0.784SS**  -170.9165.195.8-99.5-72.8000112.3
219S25.8Very low27.4Very low117 Ų117143.9 Ų143.982%0.81878%0.784SS**  trans-81.3143.8-167.4-49.40000114.7
220A26.9Very low27.7Very low96 Ų96144.3 Ų144.379%0.79378%0.782SS**  trans-132.9145.9165.800000110.6
221V28.5Very low28.1Very low133 Ų133145 Ų14581%0.80679%0.786SS**PPolyproline II helixtrans-77.8128.1-177.3178.50000110.4V223V221-V223 PolarHBondContact O-N 3.36Å
222P27.9Very low28.4Very low112 Ų112144.8 Ų144.873%0.72779%0.791SS**PPolyproline II helixtrans-73.6120.5173.429.6-32.6000110.6
223V28.1Very low29Very low126 Ų126144 Ų14476%0.76478%0.783SS**PPolyproline II helixtrans-74.1130.4169.9176.50000108.8V221 H225V221-V223 PolarHBondContact O-N 3.36Å; V223-H225 PolarHBondContact O-N 3.47Å; V223-H225 VanDerWaalsContact O-N 3.15Å
224N26.7Very low29.8Very low157 Ų157148.7 Ų148.784%0.8479%0.794SS**  trans-63.2114.5176.4-81.7-14.6000110.9T226N224-T226 PolarHBondContact O-N 2.94Å
225H27Very low30.9Very low180 Ų180149.3 Ų149.383%0.83380%0.795SS**  trans-72.9123166.3-81.5-53.6000110.3V223V223-H225 PolarHBondContact O-N 3.47Å; V223-H225 VanDerWaalsContact O-N 3.15Å
226T31.3Very low32.6Very low123 Ų123143 Ų14376%0.75577%0.772SS**  trans-65130.1168.442.50000110.2N224 N228N224-T226 PolarHBondContact O-N 2.94Å; T226-N228 PolarHBondContact O-N 3.11Å
227H32.9Very low35Very low185 Ų185143.5 Ų143.586%0.85677%0.77SS**  trans-68115.6175.2-75.6-87.2000110.4L229H227-L229 PolarHBondContact O-N 3.41Å; H227-L229 VanDerWaalsContact O-N 3.16Å
228N29.3Very low38Very low161 Ų161137.3 Ų137.386%0.86174%0.742SS**  trans-66.1112175.1-78.1-29.2000110.9T226T226-N228 PolarHBondContact O-N 3.11Å
229L33.9Very low40.9Very low152 Ų152130.8 Ų130.880%0.79671%0.711SS**  trans-72.6150.6166.6-71.4165.6000110.4H227H227-L229 PolarHBondContact O-N 3.41Å; H227-L229 VanDerWaalsContact O-N 3.16Å
230H32.9Very low43.7Very low170 Ų170125.2 Ų125.279%0.78767%0.672SS**  trans-59.6135.3-178.5-74.9-80.6000112.7G232H230-G232 PolarHBondContact O-N 2.79Å
231P30.2Very low46.6Very low136 Ų136121.5 Ų121.588%0.88364%0.641SS**THydrogen-bonded Turntrans-69102.4177.129-34.1000110.2
232G33.9Very low49.2Very low77 Ų77116.3 Ų116.379%0.79461%0.609SS**THydrogen-bonded Turntrans150-21-179.800000114.6H230 R234H230-G232 PolarHBondContact O-N 2.79Å; G232-R234 PolarHBondContact O-N 2.92Å
233R41.4Very low51.5Low168 Ų168120 Ų12063%0.63461%0.61SS**  trans-74.4111.3172.9-147.3179.2-157-118.2-1.6109K235 Y243R233-K235 PolarHBondContact O-N 3.42Å; R233-Y243 PolarHBondContact NH2-O 2.89Å
234R44.6Very low53.2Low237 Ų237115.3 Ų115.389%0.89459%0.586SS**PPolyproline II helixtrans-56.2133.9164.1-67.9-177.4-179176.20107.8G232G232-R234 PolarHBondContact O-N 2.92Å
235K48.8Very low55Low172 Ų172109.3 Ų109.375%0.74855%0.554SS**PPolyproline II helixtrans-60.9137.5172.5-166.9-179.2-179.4-1720107.8R233R233-K235 PolarHBondContact O-N 3.42Å
236S61.9Low56.2Low52 Ų52105.9 Ų105.936%0.36454%0.542SS..PPolyproline II helixtrans-78.5124.6178.5-178.40000109.8N238S236-N238 WeakPolarHBondContact CB-O 3.24Å; S236-N238 PolarHBondContact O-N 3.35Å; S236-N238 PolarHBondContact OG-N 3.02Å; S236-N238 PolarHBondContact OG-O 2.88Å
237D74.6Confident57.1Low127 Ų127109.4 Ų109.468%0.67954%0.542SS*.SBendtrans-64.6-15.1171.2-71.7-4.6000112.2K386D237-K386 PolarHBondContact O-NZ 3.3Å
238N86.1Confident57.7Low19 Ų19106 Ų10610%0.10253%0.53CS..  trans-105.599.3169.4-179.35.9000110.3S236 A240 S241 L425 D428S236-N238 WeakPolarHBondContact CB-O 3.24Å; S236-N238 PolarHBondContact O-N 3.35Å; S236-N238 PolarHBondContact OG-N 3.02Å; S236-N238 PolarHBondContact OG-O 2.88Å; N238-A240 PolarHBondContact O-N 3.43Å; N238-A240 WeakPolarHBondContact OD1-CA 3.39Å; N238-A240 WeakPolarHBondContact OD1-CB 3.35Å; N238-A240 PolarHBondContact OD1-N 3.27Å; N238-S241 WeakPolarHBondContact O-CB 3.41Å; N238-S241 PolarHBondContact O-N 2.9Å; N238-S241 VanDerWaalsContact O-N 3.11Å; N238-S241 PolarHBondContact OD1-N 2.66Å; N238-L425 PolarHBondContact ND2-O 3.4Å; N238-D428 WeakPolarHBondContact CB-OD1 3.46Å; N238-D428 PolarHBondContact ND2-OD1 2.9Å
239K86.4Confident58.7Low47 Ų47101.8 Ų101.820%0.20451%0.507CS..THydrogen-bonded Turntrans-56.9-24.1174.1-63.6175.5177.6172.20113.4E384 T574 V577K239-E384 WeakPolarHBondContact CE-OE2 3.29Å; K239-E384 IonicContact NZ-OE2 2.73Å; K239-E384 PolarHBondContact NZ-OE2 3.06Å; K239-T574 WeakPolarHBondContact O-CB 3.25Å; K239-T574 WeakPolarHBondContact O-CG2 3.48Å; K239-T574 PolarHBondContact O-OG1 3.13Å; K239-V577 HydrophobicContact CB-CG2 4.31Å
240A85Confident59Low0 Ų098.7 Ų98.70%050%0.498CS..THydrogen-bonded Turntrans-93.7-5.2-179.200000113.6N238 T242 L425 Q426 V577N238-A240 PolarHBondContact O-N 3.43Å; N238-A240 WeakPolarHBondContact OD1-CA 3.39Å; N238-A240 WeakPolarHBondContact OD1-CB 3.35Å; N238-A240 PolarHBondContact OD1-N 3.27Å; A240-T242 PolarHBondContact O-N 2.74Å; A240-L425 HydrophobicContact CB-CD2 3.88Å; A240-L425 HydrophobicContact CB-CG 3.98Å; A240-Q426 VanDerWaalsContact O-CA 3.32Å; A240-Q426 WeakPolarHBondContact O-CA 3.4Å; A240-Q426 VanDerWaalsContact O-CB 3.29Å; A240-Q426 WeakPolarHBondContact O-CB 3.33Å; A240-V577 HydrophobicContact CB-CG2 3.97Å
241S87.6Confident59.2Low18 Ų1897.6 Ų97.613%0.12650%0.498CS..  trans-64.5130.1179.8-175.20000111N238 Y243 D428N238-S241 WeakPolarHBondContact O-CB 3.41Å; N238-S241 PolarHBondContact O-N 2.9Å; N238-S241 VanDerWaalsContact O-N 3.11Å; N238-S241 PolarHBondContact OD1-N 2.66Å; S241-Y243 PolarHBondContact OG-N 2.91Å; S241-D428 VanDerWaalsContact CB-OD2 3.31Å; S241-D428 WeakPolarHBondContact CB-OD2 3.22Å; S241-D428 PolarHBondContact OG-OD2 2.81Å
242T83.5Confident59.7Low24 Ų2494.9 Ų94.915%0.14748%0.481CS..  trans-9710.3179.753.10000112.7A240 G244 M245 Q426 R572A240-T242 PolarHBondContact O-N 2.74Å; T242-G244 PolarHBondContact O-N 3.36Å; T242-M245 HydrophobicContact CG2-SD 4.06Å; T242-M245 WeakPolarHBondContact O-CB 3.13Å; T242-M245 WeakPolarHBondContact O-CG 3.33Å; T242-M245 PolarHBondContact O-N 3.15Å; T242-M245 VanDerWaalsContact O-N 3.15Å; T242-Q426 HydrophobicContact CG2-CB 3.92Å; T242-Q426 HydrophobicContact CG2-CG 4.43Å; T242-Q426 PolarHBondContact N-O 3.13Å; T242-Q426 PolarHBondContact OG1-NE2 2.97Å; T242-Q426 PolarHBondContact OG1-O 3.05Å; T242-R572 HydrophobicContact CG2-CB 4.11Å
243Y75.9Confident60Low190 Ų19096.3 Ų96.375%0.74548%0.475SS*.THydrogen-bonded Turntrans-65.2129.9-174-158.1-94.4000112.6R233 S241 M245R233-Y243 PolarHBondContact NH2-O 2.89Å; S241-Y243 PolarHBondContact OG-N 2.91Å; Y243-M245 PolarHBondContact O-N 2.92Å
244G63Low59.8Low26 Ų2694.9 Ų94.927%0.26848%0.48SS..THydrogen-bonded Turntrans70.73.6-175.600000115.7T242 N246 Y247T242-G244 PolarHBondContact O-N 3.36Å; G244-N246 VanDerWaalsContact C-N 3.28Å; G244-N246 PolarHBondContact O-N 3.22Å; G244-Y247 WeakPolarHBondContact O-CD2 3.49Å
245M63.8Low59.7Low32 Ų3286.8 Ų86.816%0.15847%0.471CS..THydrogen-bonded Turntrans-70.8-23.3179.1-64.4-1708100113.5T242 Y243 Y247 L248 W261 T574T242-M245 HydrophobicContact CG2-SD 4.06Å; T242-M245 WeakPolarHBondContact O-CB 3.13Å; T242-M245 WeakPolarHBondContact O-CG 3.33Å; T242-M245 PolarHBondContact O-N 3.15Å; T242-M245 VanDerWaalsContact O-N 3.15Å; Y243-M245 PolarHBondContact O-N 2.92Å; M245-Y247 PolarHBondContact O-N 2.73Å; M245-L248 WeakPolarHBondContact O-CB 3.24Å; M245-L248 PolarHBondContact O-N 3.05Å; M245-W261 HydrophobicContact CE-CE3 3.88Å; M245-W261 HydrophobicContact CE-CH2 3.64Å; M245-W261 HydrophobicContact CE-CZ2 4.32Å; M245-W261 HydrophobicContact CE-CZ3 3.39Å; M245-T574 HydrophobicContact CE-CG2 4.47Å; M245-T574 HydrophobicContact SD-CG2 3.93Å
246N54Low59.3Low107 Ų10786.8 Ų86.857%0.57248%0.479SS*.Hα-helixtrans-61.4-24.5179.3-73.4-27.1000113.6G244 L248 L249 R572G244-N246 VanDerWaalsContact C-N 3.28Å; G244-N246 PolarHBondContact O-N 3.22Å; N246-L248 VanDerWaalsContact C-N 3.26Å; N246-L248 PolarHBondContact O-N 2.93Å; N246-L249 PolarHBondContact O-N 3.45Å; N246-R572 PolarHBondContact OD1-NH1 3.12Å
247Y48.6Very low58.3Low197 Ų19791.1 Ų91.177%0.77349%0.493SS*.Hα-helixtrans-68.1-23.9174.8-62.8-72.2000113.3G244 M245G244-Y247 WeakPolarHBondContact O-CD2 3.49Å; M245-Y247 PolarHBondContact O-N 2.73Å
248L47.1Very low57.1Low115 Ų11590.8 Ų90.860%0.60250%0.495SS*.Hα-helixtrans-80.1-25.4179.7-61174.1000112.7M245 N246 S250 N251M245-L248 WeakPolarHBondContact O-CB 3.24Å; M245-L248 PolarHBondContact O-N 3.05Å; N246-L248 VanDerWaalsContact C-N 3.26Å; N246-L248 PolarHBondContact O-N 2.93Å; L248-S250 PolarHBondContact O-N 3.44Å; L248-N251 PolarHBondContact O-N 3.16Å
249L49.1Very low55.8Low71 Ų7193.2 Ų93.237%0.37251%0.508SS..Hα-helixtrans-63.8-28-178.9-86.181.2000112.7N246 N251 C252N246-L249 PolarHBondContact O-N 3.45Å; L249-N251 PolarHBondContact O-N 2.97Å; L249-C252 PolarHBondContact O-N 2.89Å; L249-C252 VanDerWaalsContact O-N 3.11Å
250S40.8Very low54.9Low88 Ų8894.4 Ų94.462%0.61552%0.517SS*.THydrogen-bonded Turntrans-61.3-23.5-179-58.90000114.3L248L248-S250 PolarHBondContact O-N 3.44Å
251N37.3Very low54.7Low147 Ų14798.8 Ų98.879%0.78653%0.533SS*.THydrogen-bonded Turntrans-95.1-9.9178-78.618.7000113.8L248 L249 T253L248-N251 PolarHBondContact O-N 3.16Å; L249-N251 PolarHBondContact O-N 2.97Å; N251-T253 VanDerWaalsContact C-N 3.35Å; N251-T253 PolarHBondContact O-N 3.46Å
252C40.4Very low54.8Low78 Ų7898.5 Ų98.553%0.52753%0.531SS..THydrogen-bonded Turntrans-95.827.8-172.4-63.10000113.6L249L249-C252 PolarHBondContact O-N 2.89Å; L249-C252 VanDerWaalsContact O-N 3.11Å
253T39.7Very low55.2Low108 Ų10898.9 Ų98.966%0.66353%0.534SS*.THydrogen-bonded Turntrans-84-15.6-177.848.10000114.1N251N251-T253 VanDerWaalsContact C-N 3.35Å; N251-T253 PolarHBondContact O-N 3.46Å
254N38.2Very low56Low137 Ų13790 Ų9073%0.73350%0.499SS*.SBendtrans-75.6139.8169-74-12.5000110.6
255G42.5Very low57.3Low68 Ų6891.1 Ų91.170%0.70150%0.496SS*.SBendtrans-73.1175.3-16300000116.9
256N39.3Very low58.4Low171 Ų17198 Ų9891%0.91453%0.526SS*.  trans74.211.2175.6-63.70.3000118.3V258N256-V258 PolarHBondContact O-N 3.27Å
257H42.5Very low60.1Low143 Ų14397.5 Ų97.566%0.66252%0.518SS*.  trans-75.6123.4160.5-71.9-63.4000111.4
258V49.5Very low62Low120 Ų12096.5 Ų96.573%0.72752%0.518SS*.  trans-60.4149.9164177.90000108.8N256 N260N256-V258 PolarHBondContact O-N 3.27Å; V258-N260 PolarHBondContact O-N 2.9Å; V258-N260 PolarHBondContact O-OD1 3.01Å; V258-N260 VanDerWaalsContact O-OD1 3.1Å
259N56.9Low64.1Low70 Ų7092.5 Ų92.537%0.37450%0.495SS..  trans-73.769.4180-74.7-18.4000112W261 T262 C563N259-W261 PolarHBondContact O-N 2.92Å; N259-T262 PolarHBondContact O-N 2.84Å; N259-C563 PolarHBondContact ND2-O 2.85Å
260N69.2Low66.1Low72 Ų7292 Ų9239%0.38550%0.497SS..THydrogen-bonded Turntrans-52.1-32.7-176.4-67.612.1000113.4V258 T262 I578V258-N260 PolarHBondContact O-N 2.9Å; V258-N260 PolarHBondContact O-OD1 3.01Å; V258-N260 VanDerWaalsContact O-OD1 3.1Å; N260-T262 VanDerWaalsContact C-N 3.31Å; N260-T262 PolarHBondContact O-N 2.95Å; N260-I578 WeakPolarHBondContact O-CD1 3.17Å
261W80.4Confident68.4Low93 Ų9391.5 Ų91.535%0.35249%0.494SS..THydrogen-bonded Turntrans-77.8-8.3-175.7-43111000114.9M245 N259 R572 L573 Q575M245-W261 HydrophobicContact CE-CE3 3.88Å; M245-W261 HydrophobicContact CE-CH2 3.64Å; M245-W261 HydrophobicContact CE-CZ2 4.32Å; M245-W261 HydrophobicContact CE-CZ3 3.39Å; N259-W261 PolarHBondContact O-N 2.92Å; W261-R572 HydrophobicContact CB-CB 4.39Å; W261-R572 HydrophobicContact CB-CG 4.47Å; W261-L573 PolarHBondContact O-N 2.7Å; W261-Q575 HydrophobicContact CZ3-CB 4.09Å
262T89.9Confident71Confident12 Ų1285.8 Ų85.87%0.07447%0.47CS..  trans-134.457.2-178.5610000113N259 N260 W264 K265N259-T262 PolarHBondContact O-N 2.84Å; N260-T262 VanDerWaalsContact C-N 3.31Å; N260-T262 PolarHBondContact O-N 2.95Å; T262-W264 HydrophobicContact CG2-CH2 3.65Å; T262-W264 HydrophobicContact CG2-CZ2 3.73Å; T262-W264 HydrophobicContact CG2-CZ3 4.37Å; T262-W264 PolarHBondContact O-N 2.92Å; T262-K265 PolarHBondContact O-N 2.86Å
263P91.1Very high73.5Confident31 Ų3184.5 Ų84.520%0.20146%0.459CS..THydrogen-bonded Turntrans-64.6-11.4-168.829.7-40000115.5F286 L573 I578P263-F286 HydrophobicContact CB-CE2 3.88Å; P263-F286 HydrophobicContact CB-CZ 3.93Å; P263-F286 HydrophobicContact CG-CD1 4.36Å; P263-F286 HydrophobicContact CG-CE1 3.77Å; P263-F286 HydrophobicContact CG-CE2 3.92Å; P263-F286 HydrophobicContact CG-CZ 3.52Å; P263-L573 HydrophobicContact CG-CD1 3.92Å; P263-I578 HydrophobicContact CB-CD1 4.27Å; P263-I578 HydrophobicContact CG-CD1 3.75Å; P263-I578 HydrophobicContact CG-CG1 4.1Å
264W92.7Very high76.2Confident4 Ų484 Ų842%0.01545%0.452CS..THydrogen-bonded Turntrans-75.5-25.1172.76390.7000113T262 K266 Y269 D282 F283 F286 L567 I571 L573T262-W264 HydrophobicContact CG2-CH2 3.65Å; T262-W264 HydrophobicContact CG2-CZ2 3.73Å; T262-W264 HydrophobicContact CG2-CZ3 4.37Å; T262-W264 PolarHBondContact O-N 2.92Å; W264-K266 VanDerWaalsContact C-N 3.25Å; W264-K266 PolarHBondContact O-N 2.88Å; W264-Y269 PolarHBondContact O-OH 3.11Å; W264-D282 HydrophobicContact CB-CB 4.43Å; W264-F283 HydrophobicContact CB-CB 4.49Å; W264-F283 HydrophobicContact CD2-CB 4.23Å; W264-F283 AromaticContact CD2-CD2 3.74Å; W264-F283 HydrophobicContact CD2-CD2 3.74Å; W264-F283 HydrophobicContact CD2-CG 4.49Å; W264-F283 AromaticContact CE2-CD2 3.93Å; W264-F283 AromaticContact CE3-CD2 3.71Å; W264-F283 HydrophobicContact CE3-CD2 3.71Å; W264-F283 HydrophobicContact CE3-CE2 4.3Å; W264-F283 HydrophobicContact CG-CB 3.98Å; W264-F283 HydrophobicContact CG-CD2 4.33Å; W264-F283 HydrophobicContact CH2-CD2 4.1Å; W264-F283 HydrophobicContact CH2-CE2 4.37Å; W264-F283 HydrophobicContact CZ2-CD2 4.13Å; W264-F283 AromaticContact CZ3-CD2 3.9Å; W264-F283 HydrophobicContact CZ3-CD2 3.9Å; W264-F283 HydrophobicContact CZ3-CE2 4.12Å; W264-F286 HydrophobicContact CB-CB 3.78Å; W264-F286 HydrophobicContact CB-CG 4.25Å; W264-L567 HydrophobicContact CZ2-CD2 4.46Å; W264-I571 HydrophobicContact CH2-CG2 4.02Å; W264-L573 HydrophobicContact CE3-CD1 3.94Å; W264-L573 HydrophobicContact CZ3-CD1 3.72Å; W264-L573 HydrophobicContact CZ3-CG 3.92Å
265K90.3Very high78.8Confident49 Ų4977.6 Ų77.621%0.21342%0.419CS..  trans-75.175.3-179.9-175.8170178.9-167.50111.2T262 Y269 D562 C563 E564T262-K265 PolarHBondContact O-N 2.86Å; K265-Y269 HydrophobicContact CB-CE2 4.1Å; K265-Y269 HydrophobicContact CD-CD2 4.42Å; K265-Y269 HydrophobicContact CD-CE2 4.09Å; K265-Y269 HydrophobicContact CG-CD2 4.35Å; K265-Y269 HydrophobicContact CG-CE2 3.66Å; K265-D562 PolarHBondContact NZ-O 3.13Å; K265-C563 PolarHBondContact NZ-O 3.07Å; K265-E564 VanDerWaalsContact NZ-C 3.25Å; K265-E564 PolarHBondContact NZ-O 2.71Å
266K87.6Confident81.4Confident178 Ų17874.3 Ų74.377%0.77439%0.385SS*.  trans-88.5-14.7177.5-62.9-179.1-179-178.60113.6W264W264-K266 VanDerWaalsContact C-N 3.25Å; W264-K266 PolarHBondContact O-N 2.88Å
267K88.8Confident84.1Confident96 Ų9667.9 Ų67.942%0.41735%0.35SS..SBendtrans-131.1166.6-177.664.3176.7-175.4-86.70112.4Y269 D282K267-Y269 HydrophobicContact CD-CE1 4.29Å; K267-Y269 HydrophobicContact CG-CD1 4.07Å; K267-Y269 HydrophobicContact CG-CE1 3.73Å; K267-D282 IonicContact NZ-OD1 3.73Å; K267-D282 PolarHBondContact NZ-OD1 3.24Å; K267-D282 IonicContact NZ-OD2 3Å; K267-D282 PolarHBondContact NZ-OD2 2.93Å
268K88.6Confident86.7Confident176 Ų17663.2 Ų63.277%0.76533%0.328SS*.PPolyproline II helixtrans-83121.7165.9-174.5172.8-176172.40108.5
269Y91.3Very high89Confident30 Ų3057.5 Ų57.512%0.11829%0.293CS..PPolyproline II helixtrans-80.9161.7-179.9-62.1-60.2000113.1W264 K265 K267 E278 E279 D282W264-Y269 PolarHBondContact O-OH 3.11Å; K265-Y269 HydrophobicContact CB-CE2 4.1Å; K265-Y269 HydrophobicContact CD-CD2 4.42Å; K265-Y269 HydrophobicContact CD-CE2 4.09Å; K265-Y269 HydrophobicContact CG-CD2 4.35Å; K265-Y269 HydrophobicContact CG-CE2 3.66Å; K267-Y269 HydrophobicContact CD-CE1 4.29Å; K267-Y269 HydrophobicContact CG-CD1 4.07Å; K267-Y269 HydrophobicContact CG-CE1 3.73Å; Y269-E278 VanDerWaalsContact CA-OE2 3.25Å; Y269-E278 WeakPolarHBondContact CA-OE2 3.23Å; Y269-E278 WeakPolarHBondContact CB-OE2 3.27Å; Y269-E278 HydrophobicContact CD1-CB 3.54Å; Y269-E278 WeakPolarHBondContact CD1-OE2 3.44Å; Y269-E278 HydrophobicContact CE1-CB 3.99Å; Y269-E278 HydrophobicContact CG-CB 4.46Å; Y269-E279 HydrophobicContact CD1-CB 4.37Å; Y269-E279 HydrophobicContact CD2-CB 3.86Å; Y269-E279 HydrophobicContact CD2-CG 4.05Å; Y269-E279 HydrophobicContact CE1-CB 4.14Å; Y269-E279 HydrophobicContact CE2-CB 3.61Å; Y269-E279 HydrophobicContact CE2-CG 3.47Å; Y269-E279 VanDerWaalsContact CE2-CG 3.47Å; Y269-E279 WeakPolarHBondContact CE2-OE1 3.46Å; Y269-E279 HydrophobicContact CG-CB 4.26Å; Y269-D282 HydrophobicContact CE1-CB 4.5Å; Y269-D282 WeakPolarHBondContact CE1-OD2 3.46Å; Y269-D282 WeakPolarHBondContact OH-CB 3.39Å; Y269-D282 PolarHBondContact OH-OD2 3.23Å
270S91.9Very high90.9Very high60 Ų6054.2 Ų54.242%0.4228%0.276SS..PPolyproline II helixtrans-57.1167.4167.8-72.50000112.9G275 E278S270-G275 VanDerWaalsContact O-CA 3.25Å; S270-G275 WeakPolarHBondContact O-CA 3.22Å; S270-E278 WeakPolarHBondContact CB-OE1 3.45Å; S270-E278 PolarHBondContact N-OE2 2.87Å; S270-E278 PolarHBondContact OG-OE1 3.48Å
271S88.7Confident92.3Very high78 Ų7853.5 Ų53.555%0.54527%0.271SS..SBendtrans-80.8147.1174.5-680000112.2K556S271-K556 PolarHBondContact OG-NZ 3.06Å
272G91Very high93.1Very high28 Ų2850.5 Ų50.529%0.28926%0.262SS..THydrogen-bonded Turntrans66.9-146.4172.700000114.3L274 G275 L276 V551G272-L274 PolarHBondContact O-N 3.37Å; G272-G275 PolarHBondContact O-N 3.45Å; G272-G275 VanDerWaalsContact O-N 3.09Å; G272-L276 PolarHBondContact O-N 3.44Å; G272-V551 WeakPolarHBondContact CA-O 3.45Å
273V94.6Very high93.5Very high50 Ų5050 Ų5030%0.30326%0.258SS..Hα-helixtrans-63.6-25.1-174.8-63.40000114.1L276 H277 V467 I470 V551V273-L276 PolarHBondContact O-N 3.28Å; V273-H277 WeakPolarHBondContact O-CB 3.48Å; V273-H277 PolarHBondContact O-N 2.83Å; V273-V467 HydrophobicContact CB-CG2 3.89Å; V273-V467 HydrophobicContact CG1-CG2 4.06Å; V273-V467 HydrophobicContact CG2-CG2 3.91Å; V273-I470 HydrophobicContact CG1-CD1 4.4Å; V273-V551 HydrophobicContact CG1-CB 4.09Å; V273-V551 HydrophobicContact CG1-CG1 4.29Å; V273-V551 HydrophobicContact CG1-CG2 3.94Å
274L94.8Very high93.8Very high97 Ų9750.8 Ų50.851%0.50826%0.258SS..Hα-helixtrans-65.4-44.1172.5-68.1172.3000111.2G272 L276 H277 E278G272-L274 PolarHBondContact O-N 3.37Å; L274-L276 VanDerWaalsContact C-N 3.34Å; L274-L276 PolarHBondContact O-N 3.41Å; L274-H277 WeakPolarHBondContact O-CB 3.22Å; L274-H277 PolarHBondContact O-N 2.92Å; L274-E278 WeakPolarHBondContact O-CG 3.4Å; L274-E278 PolarHBondContact O-N 3.24Å
275G94.3Very high94Very high3 Ų355.2 Ų55.23%0.03128%0.282CS..Hα-helixtrans-65.9-35.5175.900000113.2S270 G272 E279S270-G275 VanDerWaalsContact O-CA 3.25Å; S270-G275 WeakPolarHBondContact O-CA 3.22Å; G272-G275 PolarHBondContact O-N 3.45Å; G272-G275 VanDerWaalsContact O-N 3.09Å; G275-E279 VanDerWaalsContact O-CB 3.25Å; G275-E279 WeakPolarHBondContact O-CB 3.24Å; G275-E279 PolarHBondContact O-N 3.32Å
276L95.8Very high94.2Very high0 Ų053.9 Ų53.90%028%0.276CS..Hα-helixtrans-67-38.4173.1-179.359.4000111.9G272 V273 L274 E279 V280 I470 L547 V551 T566 L567G272-L276 PolarHBondContact O-N 3.44Å; V273-L276 PolarHBondContact O-N 3.28Å; L274-L276 VanDerWaalsContact C-N 3.34Å; L274-L276 PolarHBondContact O-N 3.41Å; L276-E279 PolarHBondContact O-N 3.03Å; L276-V280 HydrophobicContact CD1-CG2 4.17Å; L276-V280 HydrophobicContact CG-CG2 4.49Å; L276-V280 WeakPolarHBondContact O-CB 3.45Å; L276-V280 VanDerWaalsContact O-CG2 3.26Å; L276-V280 WeakPolarHBondContact O-CG2 3.31Å; L276-V280 PolarHBondContact O-N 3.48Å; L276-I470 HydrophobicContact CD2-CD1 3.77Å; L276-I470 HydrophobicContact CD2-CG1 4.01Å; L276-L547 HydrophobicContact CD1-CD2 4.16Å; L276-L547 HydrophobicContact CD2-CD1 4.28Å; L276-L547 HydrophobicContact CD2-CD2 4.25Å; L276-V551 HydrophobicContact CB-CG1 4.16Å; L276-V551 HydrophobicContact CD2-CG1 4.01Å; L276-T566 HydrophobicContact CD1-CG2 4.12Å; L276-L567 HydrophobicContact CD1-CB 4.28Å; L276-L567 HydrophobicContact CD1-CD1 4.3Å
277H97.6Very high94.6Very high36 Ų3645.4 Ų45.417%0.16724%0.239CC..Hα-helixtrans-63.1-47.4174.1166.165.1000112V273 L274 E279 V280 M281 L465V273-H277 WeakPolarHBondContact O-CB 3.48Å; V273-H277 PolarHBondContact O-N 2.83Å; L274-H277 WeakPolarHBondContact O-CB 3.22Å; L274-H277 PolarHBondContact O-N 2.92Å; H277-E279 VanDerWaalsContact C-N 3.31Å; H277-E279 PolarHBondContact O-N 2.66Å; H277-V280 PolarHBondContact O-N 3.41Å; H277-M281 WeakPolarHBondContact NE2-CE 3.47Å; H277-M281 WeakPolarHBondContact O-CG 3.23Å; H277-M281 PolarHBondContact O-N 3.18Å; H277-L465 WeakPolarHBondContact ND1-CB 3.11Å; H277-L465 PolarHBondContact ND1-N 2.96Å
278E96.9Very high95Very high44 Ų4442.1 Ų42.121%0.20623%0.228CC..Hα-helixtrans-57.7-41.9173.3-68.3164.2-167.900112.5Y269 S270 L274 M281 D282Y269-E278 VanDerWaalsContact CA-OE2 3.25Å; Y269-E278 WeakPolarHBondContact CA-OE2 3.23Å; Y269-E278 WeakPolarHBondContact CB-OE2 3.27Å; Y269-E278 HydrophobicContact CD1-CB 3.54Å; Y269-E278 WeakPolarHBondContact CD1-OE2 3.44Å; Y269-E278 HydrophobicContact CE1-CB 3.99Å; Y269-E278 HydrophobicContact CG-CB 4.46Å; S270-E278 WeakPolarHBondContact CB-OE1 3.45Å; S270-E278 PolarHBondContact N-OE2 2.87Å; S270-E278 PolarHBondContact OG-OE1 3.48Å; L274-E278 WeakPolarHBondContact O-CG 3.4Å; L274-E278 PolarHBondContact O-N 3.24Å; E278-M281 PolarHBondContact O-N 3.07Å; E278-D282 PolarHBondContact O-N 3.22Å
279E96.7Very high95.2Very high1 Ų135.7 Ų35.71%0.00521%0.205CC..Hα-helixtrans-72.9-33.5-178.9-171.6164.2-129.500112.8Y269 G275 L276 H277 F283 S565 T566 L567Y269-E279 HydrophobicContact CD1-CB 4.37Å; Y269-E279 HydrophobicContact CD2-CB 3.86Å; Y269-E279 HydrophobicContact CD2-CG 4.05Å; Y269-E279 HydrophobicContact CE1-CB 4.14Å; Y269-E279 HydrophobicContact CE2-CB 3.61Å; Y269-E279 HydrophobicContact CE2-CG 3.47Å; Y269-E279 VanDerWaalsContact CE2-CG 3.47Å; Y269-E279 WeakPolarHBondContact CE2-OE1 3.46Å; Y269-E279 HydrophobicContact CG-CB 4.26Å; G275-E279 VanDerWaalsContact O-CB 3.25Å; G275-E279 WeakPolarHBondContact O-CB 3.24Å; G275-E279 PolarHBondContact O-N 3.32Å; L276-E279 PolarHBondContact O-N 3.03Å; H277-E279 VanDerWaalsContact C-N 3.31Å; H277-E279 PolarHBondContact O-N 2.66Å; E279-F283 WeakPolarHBondContact O-CB 3.49Å; E279-F283 PolarHBondContact O-N 3.21Å; E279-S565 WeakPolarHBondContact OE1-CA 3.49Å; E279-S565 WeakPolarHBondContact OE1-CB 3.35Å; E279-S565 PolarHBondContact OE1-OG 2.71Å; E279-T566 PolarHBondContact OE1-N 3.03Å; E279-T566 WeakPolarHBondContact OE2-CA 3.48Å; E279-T566 WeakPolarHBondContact OE2-CB 3.46Å; E279-T566 PolarHBondContact OE2-N 3.45Å; E279-L567 HydrophobicContact CG-CB 3.92Å; E279-L567 PolarHBondContact OE2-N 3.26Å
280V98.2Very high95.4Very high0 Ų036.5 Ų36.50%021%0.207CC..Hα-helixtrans-67.7-37.2171.7166.70000111.2L276 H277 Y284 V419 L465 L469 L567L276-V280 HydrophobicContact CD1-CG2 4.17Å; L276-V280 HydrophobicContact CG-CG2 4.49Å; L276-V280 WeakPolarHBondContact O-CB 3.45Å; L276-V280 VanDerWaalsContact O-CG2 3.26Å; L276-V280 WeakPolarHBondContact O-CG2 3.31Å; L276-V280 PolarHBondContact O-N 3.48Å; H277-V280 PolarHBondContact O-N 3.41Å; V280-Y284 WeakPolarHBondContact O-CB 3.37Å; V280-Y284 PolarHBondContact O-N 2.86Å; V280-V419 HydrophobicContact CG1-CG2 3.91Å; V280-V419 HydrophobicContact CG2-CG2 4.22Å; V280-L465 HydrophobicContact CB-CB 4.4Å; V280-L465 HydrophobicContact CG1-CB 3.98Å; V280-L465 HydrophobicContact CG1-CD1 4.05Å; V280-L469 HydrophobicContact CG2-CD2 3.89Å; V280-L567 HydrophobicContact CG2-CD1 4.16Å; V280-L567 HydrophobicContact CG2-CD2 4.23Å
281M97.6Very high95.5Very high57 Ų5738.3 Ų38.328%0.28122%0.217SC..Hα-helixtrans-65.9-47.9173.2-69.8-171.5-69.600112H277 E278 F283 Y284 N285 Y415 L465H277-M281 WeakPolarHBondContact NE2-CE 3.47Å; H277-M281 WeakPolarHBondContact O-CG 3.23Å; H277-M281 PolarHBondContact O-N 3.18Å; E278-M281 PolarHBondContact O-N 3.07Å; M281-F283 VanDerWaalsContact C-N 3.31Å; M281-F283 PolarHBondContact O-N 3.07Å; M281-Y284 PolarHBondContact O-N 2.87Å; M281-N285 WeakPolarHBondContact O-CB 3.45Å; M281-N285 PolarHBondContact O-N 2.84Å; M281-N285 PolarHBondContact O-ND2 2.92Å; M281-Y415 HydrophobicContact CB-CE1 4.46Å; M281-Y415 HydrophobicContact CG-CD1 4.27Å; M281-Y415 HydrophobicContact CG-CE1 4.05Å; M281-L465 HydrophobicContact CG-CD1 3.66Å
282D97.3Very high95.9Very high31 Ų3136.8 Ų36.817%0.16620%0.202CC..Hα-helixtrans-62.7-38.3176.3-781.4000112.1W264 K267 Y269 E278 F286W264-D282 HydrophobicContact CB-CB 4.43Å; K267-D282 IonicContact NZ-OD1 3.73Å; K267-D282 PolarHBondContact NZ-OD1 3.24Å; K267-D282 IonicContact NZ-OD2 3Å; K267-D282 PolarHBondContact NZ-OD2 2.93Å; Y269-D282 HydrophobicContact CE1-CB 4.5Å; Y269-D282 WeakPolarHBondContact CE1-OD2 3.46Å; Y269-D282 WeakPolarHBondContact OH-CB 3.39Å; Y269-D282 PolarHBondContact OH-OD2 3.23Å; E278-D282 PolarHBondContact O-N 3.22Å; D282-F286 WeakPolarHBondContact O-CB 3.36Å; D282-F286 PolarHBondContact O-N 3.18Å
283F97.4Very high96.1Very high0 Ų035.6 Ų35.60%019%0.189CC..Hα-helixtrans-63.4-46.1174.3171.7-89.6000111.8W264 E279 M281 F286 M287 F418 V419 Q422 L567 I571W264-F283 HydrophobicContact CB-CB 4.49Å; W264-F283 HydrophobicContact CD2-CB 4.23Å; W264-F283 AromaticContact CD2-CD2 3.74Å; W264-F283 HydrophobicContact CD2-CD2 3.74Å; W264-F283 HydrophobicContact CD2-CG 4.49Å; W264-F283 AromaticContact CE2-CD2 3.93Å; W264-F283 AromaticContact CE3-CD2 3.71Å; W264-F283 HydrophobicContact CE3-CD2 3.71Å; W264-F283 HydrophobicContact CE3-CE2 4.3Å; W264-F283 HydrophobicContact CG-CB 3.98Å; W264-F283 HydrophobicContact CG-CD2 4.33Å; W264-F283 HydrophobicContact CH2-CD2 4.1Å; W264-F283 HydrophobicContact CH2-CE2 4.37Å; W264-F283 HydrophobicContact CZ2-CD2 4.13Å; W264-F283 AromaticContact CZ3-CD2 3.9Å; W264-F283 HydrophobicContact CZ3-CD2 3.9Å; W264-F283 HydrophobicContact CZ3-CE2 4.12Å; E279-F283 WeakPolarHBondContact O-CB 3.49Å; E279-F283 PolarHBondContact O-N 3.21Å; M281-F283 VanDerWaalsContact C-N 3.31Å; M281-F283 PolarHBondContact O-N 3.07Å; F283-F286 PolarHBondContact O-N 2.89Å; F283-M287 HydrophobicContact CD1-CG 4.44Å; F283-M287 HydrophobicContact CD2-CG 4.11Å; F283-M287 HydrophobicContact CE1-CB 4.36Å; F283-M287 HydrophobicContact CE1-CG 3.99Å; F283-M287 HydrophobicContact CE2-CG 3.63Å; F283-M287 HydrophobicContact CG-CG 4.49Å; F283-M287 HydrophobicContact CZ-CB 4.37Å; F283-M287 HydrophobicContact CZ-CG 3.57Å; F283-M287 WeakPolarHBondContact O-CB 3.48Å; F283-M287 WeakPolarHBondContact O-CG 3.46Å; F283-M287 PolarHBondContact O-N 3.38Å; F283-F418 HydrophobicContact CE1-CB 4.33Å; F283-V419 HydrophobicContact CD1-CG2 3.6Å; F283-V419 HydrophobicContact CE1-CB 4.36Å; F283-V419 HydrophobicContact CE1-CG2 3.79Å; F283-Q422 HydrophobicContact CE2-CG 4.31Å; F283-Q422 HydrophobicContact CZ-CB 3.75Å; F283-Q422 HydrophobicContact CZ-CG 3.91Å; F283-L567 HydrophobicContact CB-CD2 3.54Å; F283-L567 HydrophobicContact CD1-CD2 4.15Å; F283-L567 HydrophobicContact CD2-CD2 3.91Å; F283-L567 HydrophobicContact CG-CD2 3.58Å; F283-I571 HydrophobicContact CD2-CG2 4.42Å; F283-I571 HydrophobicContact CE2-CG2 3.64Å; F283-I571 HydrophobicContact CZ-CD1 4.32Å; F283-I571 HydrophobicContact CZ-CG2 4.13Å
284Y97.8Very high96.1Very high48 Ų4834.2 Ų34.219%0.18818%0.183CC..Hα-helixtrans-60.4-50.3175.4171.6-97.2000110.9V280 M281 F286 M287 S288 P414 Y415 F418V280-Y284 WeakPolarHBondContact O-CB 3.37Å; V280-Y284 PolarHBondContact O-N 2.86Å; M281-Y284 PolarHBondContact O-N 2.87Å; Y284-F286 PolarHBondContact O-N 2.83Å; Y284-M287 PolarHBondContact O-N 3.38Å; Y284-M287 VanDerWaalsContact O-N 3.09Å; Y284-S288 VanDerWaalsContact O-CB 3.3Å; Y284-S288 WeakPolarHBondContact O-CB 3.45Å; Y284-S288 PolarHBondContact O-N 2.95Å; Y284-S288 PolarHBondContact O-OG 3.35Å; Y284-P414 HydrophobicContact CD2-CB 4.4Å; Y284-P414 HydrophobicContact CE2-CB 3.5Å; Y284-Y415 VanDerWaalsContact CB-CD1 3.49Å; Y284-Y415 AromaticContact CD1-CD1 3.61Å; Y284-Y415 HydrophobicContact CD1-CD1 3.61Å; Y284-Y415 AromaticContact CD1-CE1 3.28Å; Y284-Y415 HydrophobicContact CD1-CE1 3.28Å; Y284-Y415 HydrophobicContact CD1-CG 4.42Å; Y284-Y415 AromaticContact CD1-CZ 3.86Å; Y284-Y415 HydrophobicContact CD2-CD1 4.19Å; Y284-Y415 HydrophobicContact CD2-CG 4.4Å; Y284-Y415 HydrophobicContact CE1-CD1 4.39Å; Y284-Y415 AromaticContact CE1-CE1 3.89Å; Y284-Y415 HydrophobicContact CE1-CE1 3.89Å; Y284-Y415 AromaticContact CE1-CZ 3.97Å; Y284-Y415 AromaticContact CG-CD1 3.48Å; Y284-Y415 HydrophobicContact CG-CD1 3.48Å; Y284-Y415 VanDerWaalsContact CG-CD1 3.48Å; Y284-Y415 AromaticContact CG-CE1 3.7Å; Y284-Y415 HydrophobicContact CG-CE1 3.7Å; Y284-Y415 HydrophobicContact CG-CG 4.13Å; Y284-F418 HydrophobicContact CD2-CB 4.02Å; Y284-F418 AromaticContact CD2-CD2 3.75Å; Y284-F418 HydrophobicContact CD2-CD2 3.75Å; Y284-F418 HydrophobicContact CD2-CE2 4.43Å; Y284-F418 AromaticContact CD2-CG 3.88Å; Y284-F418 HydrophobicContact CD2-CG 3.88Å; Y284-F418 AromaticContact CE2-CD2 3.59Å; Y284-F418 HydrophobicContact CE2-CD2 3.59Å; Y284-F418 AromaticContact CE2-CE2 3.88Å; Y284-F418 HydrophobicContact CE2-CE2 3.88Å; Y284-F418 HydrophobicContact CE2-CG 4.16Å
285N96.6Very high96.2Very high97 Ų9731.7 Ų31.752%0.51918%0.176SC..Hα-helixtrans-61.8-29.8178.1-66.1-21.6000112.7M281 S288M281-N285 WeakPolarHBondContact O-CB 3.45Å; M281-N285 PolarHBondContact O-N 2.84Å; M281-N285 PolarHBondContact O-ND2 2.92Å; N285-S288 PolarHBondContact O-OG 3.27Å
286F95.9Very high96.3Very high21 Ų2131.6 Ų31.69%0.09217%0.174CC..Hα-helixtrans-71.5-51.5170.5-177-89.3000110.9P263 W264 D282 F283 Y284 L573 R581P263-F286 HydrophobicContact CB-CE2 3.88Å; P263-F286 HydrophobicContact CB-CZ 3.93Å; P263-F286 HydrophobicContact CG-CD1 4.36Å; P263-F286 HydrophobicContact CG-CE1 3.77Å; P263-F286 HydrophobicContact CG-CE2 3.92Å; P263-F286 HydrophobicContact CG-CZ 3.52Å; W264-F286 HydrophobicContact CB-CB 3.78Å; W264-F286 HydrophobicContact CB-CG 4.25Å; D282-F286 WeakPolarHBondContact O-CB 3.36Å; D282-F286 PolarHBondContact O-N 3.18Å; F283-F286 PolarHBondContact O-N 2.89Å; Y284-F286 PolarHBondContact O-N 2.83Å; F286-L573 HydrophobicContact CD1-CD1 3.93Å; F286-L573 HydrophobicContact CE1-CD1 3.61Å; F286-R581 PolarHBondContact O-NH1 2.94Å
287M96.1Very high96.4Very high1 Ų131.7 Ų31.71%0.00518%0.175CC..Hα-helixtrans-80.8-18-169.8-72.9-61.9-74.400115.5F283 Y284 L329 P330 F418 L573F283-M287 HydrophobicContact CD1-CG 4.44Å; F283-M287 HydrophobicContact CD2-CG 4.11Å; F283-M287 HydrophobicContact CE1-CB 4.36Å; F283-M287 HydrophobicContact CE1-CG 3.99Å; F283-M287 HydrophobicContact CE2-CG 3.63Å; F283-M287 HydrophobicContact CG-CG 4.49Å; F283-M287 HydrophobicContact CZ-CB 4.37Å; F283-M287 HydrophobicContact CZ-CG 3.57Å; F283-M287 WeakPolarHBondContact O-CB 3.48Å; F283-M287 WeakPolarHBondContact O-CG 3.46Å; F283-M287 PolarHBondContact O-N 3.38Å; Y284-M287 PolarHBondContact O-N 3.38Å; Y284-M287 VanDerWaalsContact O-N 3.09Å; M287-L329 HydrophobicContact CE-CD2 3.99Å; M287-P330 HydrophobicContact CE-CG 4.07Å; M287-P330 HydrophobicContact SD-CG 4.35Å; M287-F418 HydrophobicContact CB-CD1 3.95Å; M287-F418 WeakPolarHBondContact O-CE1 3.16Å; M287-L573 HydrophobicContact CE-CD2 3.69Å; M287-L573 HydrophobicContact SD-CD1 3.54Å; M287-L573 VanDerWaalsContact SD-CD1 3.54Å; M287-L573 HydrophobicContact SD-CD2 3.66Å; M287-L573 HydrophobicContact SD-CG 4.23Å
288S95.7Very high96.3Very high26 Ų2636.3 Ų36.318%0.18219%0.194CC..SBendtrans-59.2150.7179.255.10000112.1Y284 N285 R290 R581Y284-S288 VanDerWaalsContact O-CB 3.3Å; Y284-S288 WeakPolarHBondContact O-CB 3.45Å; Y284-S288 PolarHBondContact O-N 2.95Å; Y284-S288 PolarHBondContact O-OG 3.35Å; N285-S288 PolarHBondContact O-OG 3.27Å; S288-R290 PolarHBondContact O-N 3.32Å; S288-R581 PolarHBondContact O-NH2 3.19Å
289P94.1Very high96.3Very high42 Ų4237.8 Ų37.827%0.27320%0.201SC..PPolyproline II helixtrans-46.7128.2170.7-35.739.6000114.4Y328 F418P289-Y328 HydrophobicContact CB-CE1 3.75Å; P289-Y328 HydrophobicContact CB-CE2 4Å; P289-Y328 VanDerWaalsContact CB-CZ 3.49Å; P289-Y328 HydrophobicContact CG-CD1 3.69Å; P289-Y328 HydrophobicContact CG-CD2 4.11Å; P289-Y328 HydrophobicContact CG-CE1 3.38Å; P289-Y328 HydrophobicContact CG-CE2 3.83Å; P289-Y328 HydrophobicContact CG-CG 4.08Å; P289-F418 HydrophobicContact CG-CZ 4.46Å
290R94.5Very high96.3Very high47 Ų4737.8 Ų37.818%0.17720%0.201CC..PPolyproline II helixtrans-96152.9169.9-54.2177-177.9169.4-0.7110.8S288 E292 E293 A294 E582S288-R290 PolarHBondContact O-N 3.32Å; R290-E292 VanDerWaalsContact C-N 3.25Å; R290-E292 VanDerWaalsContact CB-OE2 3.25Å; R290-E292 WeakPolarHBondContact CB-OE2 3.29Å; R290-E292 PolarHBondContact O-N 3.25Å; R290-E293 HydrophobicContact CB-CG 4.11Å; R290-E293 PolarHBondContact N-OE2 2.87Å; R290-E293 WeakPolarHBondContact O-CB 3.33Å; R290-E293 PolarHBondContact O-N 3.33Å; R290-E293 VanDerWaalsContact O-N 3.11Å; R290-A294 PolarHBondContact O-N 3.49Å; R290-E582 IonicContact CZ-OE1 2.74Å; R290-E582 IonicContact NH1-OE1 3.71Å; R290-E582 PolarHBondContact NH1-OE1 3.34Å; R290-E582 IonicContact NH2-OE1 3.22Å
291P95Very high96.3Very high97 Ų9738.4 Ų38.463%0.6321%0.205SC*.Hα-helixtrans-54.7-38.7179.9-2735.9000113.8E293 A294 A295P291-E293 PolarHBondContact O-N 2.97Å; P291-A294 PolarHBondContact O-N 2.87Å; P291-A295 WeakPolarHBondContact O-CB 3.44Å; P291-A295 PolarHBondContact O-N 3.24Å
292E96Very high96.3Very high46 Ų4643.1 Ų43.122%0.21522%0.224CC..Hα-helixtrans-64.9-39.1179.2-54.384.5171.200111.5R290 A295 M296 I584 I585 W588R290-E292 VanDerWaalsContact C-N 3.25Å; R290-E292 VanDerWaalsContact CB-OE2 3.25Å; R290-E292 WeakPolarHBondContact CB-OE2 3.29Å; R290-E292 PolarHBondContact O-N 3.25Å; E292-A295 PolarHBondContact O-N 3.34Å; E292-M296 VanDerWaalsContact O-CB 3.28Å; E292-M296 WeakPolarHBondContact O-CB 3.17Å; E292-M296 PolarHBondContact O-N 3.3Å; E292-I584 HydrophobicContact CB-CG2 3.99Å; E292-I585 HydrophobicContact CG-CG1 4.48Å; E292-W588 HydrophobicContact CB-CB 3.92Å; E292-W588 HydrophobicContact CG-CB 4.47Å
293E95.6Very high96.2Very high3 Ų343.8 Ų43.81%0.01422%0.224CC..Hα-helixtrans-69.9-37.3176.3-58.4175.9134.100111.3R290 P291 R297 R581 I584R290-E293 HydrophobicContact CB-CG 4.11Å; R290-E293 PolarHBondContact N-OE2 2.87Å; R290-E293 WeakPolarHBondContact O-CB 3.33Å; R290-E293 PolarHBondContact O-N 3.33Å; R290-E293 VanDerWaalsContact O-N 3.11Å; P291-E293 PolarHBondContact O-N 2.97Å; E293-R297 WeakPolarHBondContact O-CB 3.3Å; E293-R297 WeakPolarHBondContact O-CD 3.41Å; E293-R297 WeakPolarHBondContact O-CG 3.41Å; E293-R297 PolarHBondContact O-N 3.37Å; E293-R581 VanDerWaalsContact CD-NH2 3.32Å; E293-R581 IonicContact OE1-CZ 3.5Å; E293-R581 VanDerWaalsContact OE1-CZ 3.3Å; E293-R581 IonicContact OE1-NE 2.72Å; E293-R581 PolarHBondContact OE1-NE 2.93Å; E293-R581 IonicContact OE1-NH2 2.83Å; E293-R581 PolarHBondContact OE1-NH2 3.15Å; E293-R581 VanDerWaalsContact OE1-NH2 3.12Å; E293-R581 IonicContact OE2-CZ 3.46Å; E293-R581 IonicContact OE2-NE 2.89Å; E293-R581 IonicContact OE2-NH2 2.77Å; E293-R581 PolarHBondContact OE2-NH2 3.47Å; E293-I584 HydrophobicContact CB-CG2 4.49Å; E293-I584 HydrophobicContact CG-CB 4.49Å; E293-I584 HydrophobicContact CG-CD1 4.08Å; E293-I584 HydrophobicContact CG-CG2 3.89Å
294A95.1Very high96.2Very high22 Ų2243.8 Ų43.818%0.18222%0.224CC..Hα-helixtrans-69.1-37.2173.500000112R290 P291 K298R290-A294 PolarHBondContact O-N 3.49Å; P291-A294 PolarHBondContact O-N 2.87Å; A294-K298 WeakPolarHBondContact O-CD 3.35Å; A294-K298 VanDerWaalsContact O-CG 3.23Å; A294-K298 WeakPolarHBondContact O-CG 3.21Å; A294-K298 PolarHBondContact O-N 3.32Å
295A96.1Very high96.2Very high43 Ų4344.7 Ų44.736%0.35523%0.23SC..Hα-helixtrans-66-48.917500000111.5P291 E292 R297 K298 E299P291-A295 WeakPolarHBondContact O-CB 3.44Å; P291-A295 PolarHBondContact O-N 3.24Å; E292-A295 PolarHBondContact O-N 3.34Å; A295-R297 PolarHBondContact O-N 3.08Å; A295-K298 WeakPolarHBondContact O-CB 3.37Å; A295-K298 PolarHBondContact O-N 3.1Å; A295-E299 PolarHBondContact O-N 3.3Å
296M96.5Very high96.3Very high1 Ų145 Ų451%0.00523%0.23CC..Hα-helixtrans-55.6-48.3174.2176.9-82.8-78.300111.6E292 K298 E299 V300 T383 V385 I584 W588E292-M296 VanDerWaalsContact O-CB 3.28Å; E292-M296 WeakPolarHBondContact O-CB 3.17Å; E292-M296 PolarHBondContact O-N 3.3Å; M296-K298 PolarHBondContact O-N 3.16Å; M296-E299 WeakPolarHBondContact O-CA 3.33Å; M296-E299 WeakPolarHBondContact O-CB 3.47Å; M296-E299 PolarHBondContact O-N 2.96Å; M296-V300 PolarHBondContact O-N 3.49Å; M296-V300 HydrophobicContact SD-CG2 4.15Å; M296-T383 HydrophobicContact CG-CG2 3.7Å; M296-T383 HydrophobicContact SD-CG2 3.71Å; M296-V385 HydrophobicContact CE-CG2 3.55Å; M296-V385 HydrophobicContact SD-CG2 3.56Å; M296-V385 VanDerWaalsContact SD-CG2 3.56Å; M296-I584 HydrophobicContact CB-CG2 4.36Å; M296-I584 HydrophobicContact CE-CD1 3.51Å; M296-I584 HydrophobicContact CE-CG1 4.07Å; M296-W588 HydrophobicContact CB-CD2 3.75Å; M296-W588 HydrophobicContact CB-CE3 4.03Å; M296-W588 HydrophobicContact CB-CG 4.24Å; M296-W588 HydrophobicContact CB-CH2 4.19Å; M296-W588 HydrophobicContact CB-CZ2 3.9Å; M296-W588 HydrophobicContact CB-CZ3 4.23Å; M296-W588 HydrophobicContact CG-CD2 4.11Å; M296-W588 HydrophobicContact CG-CE3 4.05Å; M296-W588 HydrophobicContact CG-CH2 3.44Å; M296-W588 VanDerWaalsContact CG-CH2 3.44Å; M296-W588 HydrophobicContact CG-CZ2 3.49Å; M296-W588 VanDerWaalsContact CG-CZ2 3.49Å; M296-W588 HydrophobicContact CG-CZ3 3.72Å
297R97.3Very high96.3Very high2 Ų244.3 Ų44.31%0.00823%0.227CC..Hα-helixtrans-63.3-37.6177.8-72170.8178-100.9-5.2112.6E293 A295 E299 V300 V301 F323 Y328 L329 P330 S332 D333 I334E293-R297 WeakPolarHBondContact O-CB 3.3Å; E293-R297 WeakPolarHBondContact O-CD 3.41Å; E293-R297 WeakPolarHBondContact O-CG 3.41Å; E293-R297 PolarHBondContact O-N 3.37Å; A295-R297 PolarHBondContact O-N 3.08Å; R297-E299 VanDerWaalsContact C-N 3.31Å; R297-E299 PolarHBondContact O-N 3.01Å; R297-V300 PolarHBondContact O-N 3.44Å; R297-V301 WeakPolarHBondContact O-CG2 3.28Å; R297-V301 PolarHBondContact O-N 2.97Å; R297-F323 HydrophobicContact CB-CD1 4.38Å; R297-F323 HydrophobicContact CB-CE1 3.63Å; R297-F323 HydrophobicContact CB-CE2 3.81Å; R297-F323 HydrophobicContact CB-CZ 3.31Å; R297-F323 HydrophobicContact CG-CE2 4.45Å; R297-F323 HydrophobicContact CG-CZ 4.37Å; R297-Y328 VanDerWaalsContact CZ-CD2 3.48Å; R297-Y328 VanDerWaalsContact NE-CE2 3.25Å; R297-L329 PolarHBondContact NH2-O 2.68Å; R297-P330 PolarHBondContact NH2-O 3.48Å; R297-S332 PolarHBondContact NH1-O 2.82Å; R297-S332 PolarHBondContact NH2-O 2.9Å; R297-D333 PolarHBondContact NH1-O 3.16Å; R297-I334 HydrophobicContact CB-CD1 3.91Å; R297-I334 HydrophobicContact CG-CD1 3.97Å; R297-I334 HydrophobicContact CG-CG1 4.32Å
298K96.3Very high96.3Very high134 Ų13444.2 Ų44.258%0.58323%0.227SC*.Hα-helixtrans-63.4-35.8171.8-73.1166.4-177.2177.10112.2A294 A295 M296 V301 K302 F323A294-K298 WeakPolarHBondContact O-CD 3.35Å; A294-K298 VanDerWaalsContact O-CG 3.23Å; A294-K298 WeakPolarHBondContact O-CG 3.21Å; A294-K298 PolarHBondContact O-N 3.32Å; A295-K298 WeakPolarHBondContact O-CB 3.37Å; A295-K298 PolarHBondContact O-N 3.1Å; M296-K298 PolarHBondContact O-N 3.16Å; K298-V301 PolarHBondContact O-N 2.96Å; K298-K302 WeakPolarHBondContact O-CB 3.43Å; K298-K302 PolarHBondContact O-N 3Å; K298-F323 HydrophobicContact CG-CZ 4.35Å
299E96.4Very high96.4Very high75 Ų7546.3 Ų46.335%0.3523%0.232SC..Hα-helixtrans-69.2-35177.5-163.1162.4177.300111.9A295 M296 R297 R303 W588 K591A295-E299 PolarHBondContact O-N 3.3Å; M296-E299 WeakPolarHBondContact O-CA 3.33Å; M296-E299 WeakPolarHBondContact O-CB 3.47Å; M296-E299 PolarHBondContact O-N 2.96Å; R297-E299 VanDerWaalsContact C-N 3.31Å; R297-E299 PolarHBondContact O-N 3.01Å; E299-R303 WeakPolarHBondContact O-CG 3.43Å; E299-R303 PolarHBondContact O-N 3.3Å; E299-R303 PolarHBondContact O-NE 3.25Å; E299-W588 PolarHBondContact OE2-NE1 2.95Å; E299-K591 IonicContact OE1-NZ 3.73Å; E299-K591 PolarHBondContact OE1-NZ 3.33Å; E299-K591 IonicContact OE2-NZ 2.78Å; E299-K591 PolarHBondContact OE2-NZ 3.37Å
300V97.3Very high96.5Very high0 Ų049.4 Ų49.40%024%0.243CC..Hα-helixtrans-64-51.9167.4-1800000111.2M296 R297 K302 R303 I304 I334 D380 T383 V387M296-V300 PolarHBondContact O-N 3.49Å; M296-V300 HydrophobicContact SD-CG2 4.15Å; R297-V300 PolarHBondContact O-N 3.44Å; V300-K302 VanDerWaalsContact C-N 3.32Å; V300-K302 PolarHBondContact O-N 3.18Å; V300-R303 PolarHBondContact O-N 3.31Å; V300-I304 HydrophobicContact CG1-CD1 3.94Å; V300-I304 PolarHBondContact O-N 3.24Å; V300-I304 VanDerWaalsContact O-N 3.11Å; V300-I334 HydrophobicContact CB-CD1 4.1Å; V300-I334 HydrophobicContact CG1-CD1 4.08Å; V300-D380 HydrophobicContact CG1-CB 4.04Å; V300-D380 HydrophobicContact CG2-CB 4.42Å; V300-T383 HydrophobicContact CG2-CG2 3.72Å; V300-T383 WeakPolarHBondContact CG2-OG1 3.31Å; V300-V387 HydrophobicContact CG1-CG2 3.91Å
301V97.4Very high96.5Very high13 Ų1349.7 Ų49.78%0.07925%0.248CC..Hα-helixtrans-58.9-43.2-179.3173.80000111.4R297 K298 R303 I304 E305 I319 F323 I334 L336R297-V301 WeakPolarHBondContact O-CG2 3.28Å; R297-V301 PolarHBondContact O-N 2.97Å; K298-V301 PolarHBondContact O-N 2.96Å; V301-R303 PolarHBondContact O-N 3.5Å; V301-I304 PolarHBondContact O-N 3.11Å; V301-E305 WeakPolarHBondContact O-CB 3.49Å; V301-E305 PolarHBondContact O-N 3.17Å; V301-I319 HydrophobicContact CG1-CD1 4.19Å; V301-I319 HydrophobicContact CG1-CG1 4.14Å; V301-I319 HydrophobicContact CG2-CD1 4.16Å; V301-I319 HydrophobicContact CG2-CG1 4.19Å; V301-F323 HydrophobicContact CG2-CE1 4.3Å; V301-I334 HydrophobicContact CG2-CD1 4.27Å; V301-I334 HydrophobicContact CG2-CG2 3.83Å; V301-L336 HydrophobicContact CG1-CD2 4.05Å; V301-L336 HydrophobicContact CG2-CD2 4.03Å
302K97.1Very high96.6Very high157 Ų15746.4 Ų46.468%0.68322%0.223SC*.Hα-helixtrans-62.1-39.8178.7-174.3178.6178-176.70112.8K298 V300 M306K298-K302 WeakPolarHBondContact O-CB 3.43Å; K298-K302 PolarHBondContact O-N 3Å; V300-K302 VanDerWaalsContact C-N 3.32Å; V300-K302 PolarHBondContact O-N 3.18Å; K302-M306 WeakPolarHBondContact O-CB 3.31Å; K302-M306 PolarHBondContact O-N 3.05Å
303R97Very high96.5Very high44 Ų4449 Ų4917%0.16624%0.243CC..Hα-helixtrans-65.4-40.3176-75.7-177.4-67.6125.67.1111.6E299 V300 V301 I307 V359 D380 E382E299-R303 WeakPolarHBondContact O-CG 3.43Å; E299-R303 PolarHBondContact O-N 3.3Å; E299-R303 PolarHBondContact O-NE 3.25Å; V300-R303 PolarHBondContact O-N 3.31Å; V301-R303 PolarHBondContact O-N 3.5Å; R303-I307 WeakPolarHBondContact O-CD1 3.26Å; R303-I307 WeakPolarHBondContact O-CG1 3.5Å; R303-I307 PolarHBondContact O-N 3.09Å; R303-V359 HydrophobicContact CB-CG2 4.24Å; R303-D380 IonicContact CZ-OD1 3.77Å; R303-D380 IonicContact CZ-OD2 3.36Å; R303-D380 IonicContact NH1-OD1 2.68Å; R303-D380 PolarHBondContact NH1-OD1 3.42Å; R303-D380 IonicContact NH1-OD2 2.67Å; R303-D380 IonicContact NH2-OD1 2.65Å; R303-D380 PolarHBondContact NH2-OD1 2.84Å; R303-D380 IonicContact NH2-OD2 3.24Å; R303-D380 PolarHBondContact NH2-OD2 2.79Å; R303-E382 WeakPolarHBondContact CD-OE1 3.23Å; R303-E382 IonicContact CZ-OE1 3.83Å; R303-E382 IonicContact NE-OE1 3.18Å; R303-E382 PolarHBondContact NE-OE1 3.15Å; R303-E382 IonicContact NH1-OE1 3.91Å; R303-E382 PolarHBondContact NH1-OE1 2.82Å
304I97.3Very high96.4Very high0 Ų055.5 Ų55.50%028%0.284CS..Hα-helixtrans-72-42.4177.7-66.6174.5000111.7V300 V301 M306 I307 I308 L336 V359 L378 V387 I389V300-I304 HydrophobicContact CG1-CD1 3.94Å; V300-I304 PolarHBondContact O-N 3.24Å; V300-I304 VanDerWaalsContact O-N 3.11Å; V301-I304 PolarHBondContact O-N 3.11Å; I304-M306 VanDerWaalsContact C-N 3.33Å; I304-M306 PolarHBondContact O-N 3.06Å; I304-I307 PolarHBondContact O-N 3.43Å; I304-I308 HydrophobicContact CG2-CD1 3.74Å; I304-I308 WeakPolarHBondContact O-CG1 3.49Å; I304-I308 PolarHBondContact O-N 2.67Å; I304-I308 VanDerWaalsContact O-N 3.07Å; I304-L336 HydrophobicContact CB-CD1 4.42Å; I304-L336 HydrophobicContact CG2-CD1 3.87Å; I304-V359 HydrophobicContact CG1-CG2 4.21Å; I304-L378 HydrophobicContact CD1-CD1 4.26Å; I304-V387 HydrophobicContact CD1-CB 4.21Å; I304-V387 HydrophobicContact CD1-CG1 3.9Å; I304-V387 HydrophobicContact CD1-CG2 3.92Å; I304-I389 HydrophobicContact CG2-CD1 3.77Å
305E97.4Very high96.4Very high67 Ų6754.6 Ų54.631%0.31328%0.276SS..Hα-helixtrans-58.9-44175.8-179180-172.700111.2V301 I307 I308 K309 V317V301-E305 WeakPolarHBondContact O-CB 3.49Å; V301-E305 PolarHBondContact O-N 3.17Å; E305-I307 VanDerWaalsContact C-N 3.33Å; E305-I307 PolarHBondContact O-N 2.96Å; E305-I308 PolarHBondContact O-N 2.65Å; E305-I308 VanDerWaalsContact O-N 3.13Å; E305-K309 HydrophobicContact CG-CG 3.98Å; E305-K309 WeakPolarHBondContact O-CB 3.26Å; E305-K309 VanDerWaalsContact O-CG 3.23Å; E305-K309 WeakPolarHBondContact O-CG 3.45Å; E305-K309 PolarHBondContact O-N 3.33Å; E305-K309 VanDerWaalsContact OE1-CE 3.31Å; E305-K309 WeakPolarHBondContact OE1-CE 3.19Å; E305-V317 HydrophobicContact CB-CG1 4.42Å; E305-V317 HydrophobicContact CG-CB 4.1Å; E305-V317 HydrophobicContact CG-CG2 4.14Å
306M97.3Very high96.3Very high105 Ų10555.7 Ų55.752%0.51728%0.276SS..Hα-helixtrans-54.5-47.9177.1-172.1179.977.900111.8K302 I304 I308 K309 E310K302-M306 WeakPolarHBondContact O-CB 3.31Å; K302-M306 PolarHBondContact O-N 3.05Å; I304-M306 VanDerWaalsContact C-N 3.33Å; I304-M306 PolarHBondContact O-N 3.06Å; M306-I308 PolarHBondContact O-N 2.91Å; M306-K309 PolarHBondContact O-N 3.29Å; M306-E310 WeakPolarHBondContact O-CG 3.39Å; M306-E310 PolarHBondContact O-N 3.2Å
307I97.3Very high96.2Very high5 Ų556.5 Ų56.53%0.02628%0.281CS..Hα-helixtrans-62.8-41.3177.8-61163.5000111.1R303 I304 E305 E310 L311 A353 L354 H357 V359R303-I307 WeakPolarHBondContact O-CD1 3.26Å; R303-I307 WeakPolarHBondContact O-CG1 3.5Å; R303-I307 PolarHBondContact O-N 3.09Å; I304-I307 PolarHBondContact O-N 3.43Å; E305-I307 VanDerWaalsContact C-N 3.33Å; E305-I307 PolarHBondContact O-N 2.96Å; I307-E310 PolarHBondContact O-N 2.68Å; I307-L311 PolarHBondContact O-N 2.99Å; I307-A353 HydrophobicContact CG2-CB 3.64Å; I307-L354 HydrophobicContact CD1-CD2 4.2Å; I307-H357 HydrophobicContact CD1-CB 3.67Å; I307-H357 HydrophobicContact CG1-CB 4.03Å; I307-V359 HydrophobicContact CD1-CB 3.98Å; I307-V359 HydrophobicContact CD1-CG1 3.84Å; I307-V359 HydrophobicContact CD1-CG2 4.41Å
308I96.4Very high96Very high0 Ų059.4 Ų59.40%030%0.295CS..Hα-helixtrans-65.9-38.5177.4-67.4164.2000111.4I304 E305 M306 L311 W312 A315 V317 V338 L350I304-I308 HydrophobicContact CG2-CD1 3.74Å; I304-I308 WeakPolarHBondContact O-CG1 3.49Å; I304-I308 PolarHBondContact O-N 2.67Å; I304-I308 VanDerWaalsContact O-N 3.07Å; E305-I308 PolarHBondContact O-N 2.65Å; E305-I308 VanDerWaalsContact O-N 3.13Å; M306-I308 PolarHBondContact O-N 2.91Å; I308-L311 PolarHBondContact O-N 3.01Å; I308-W312 HydrophobicContact CG2-CE3 4.18Å; I308-W312 PolarHBondContact O-N 3.45Å; I308-A315 HydrophobicContact CG2-CB 4.19Å; I308-V317 HydrophobicContact CB-CG2 4.14Å; I308-V317 HydrophobicContact CD1-CG1 4.39Å; I308-V317 HydrophobicContact CD1-CG2 4.03Å; I308-V317 HydrophobicContact CG2-CG2 3.64Å; I308-V338 HydrophobicContact CD1-CG2 3.88Å; I308-V338 HydrophobicContact CG2-CG1 3.79Å; I308-L350 HydrophobicContact CG1-CD1 3.73Å; I308-L350 HydrophobicContact CG1-CD2 4.32Å
309K96.4Very high95.9Very high69 Ų6955.6 Ų55.630%0.328%0.28SS..Hα-helixtrans-73.2-29.7177.6-65.6-74.8-173.4175.70112.6E305 M306 W312 P313 A315E305-K309 HydrophobicContact CG-CG 3.98Å; E305-K309 WeakPolarHBondContact O-CB 3.26Å; E305-K309 VanDerWaalsContact O-CG 3.23Å; E305-K309 WeakPolarHBondContact O-CG 3.45Å; E305-K309 PolarHBondContact O-N 3.33Å; E305-K309 VanDerWaalsContact OE1-CE 3.31Å; E305-K309 WeakPolarHBondContact OE1-CE 3.19Å; M306-K309 PolarHBondContact O-N 3.29Å; K309-W312 CarbonylContact O-C 3.58Å; K309-P313 WeakPolarHBondContact O-CA 3.46Å; K309-P313 WeakPolarHBondContact O-CD 3.39Å; K309-P313 WeakPolarHBondContact O-CG 3.37Å; K309-A315 WeakPolarHBondContact CE-O 3.34Å; K309-A315 PolarHBondContact NZ-O 2.67Å
310E96.4Very high95.6Very high108 Ų10853.8 Ų53.851%0.50527%0.271SS..Hα-helixtrans-66.4-38.9171.4-78179.9-131.600112.1M306 I307 H357M306-E310 WeakPolarHBondContact O-CG 3.39Å; M306-E310 PolarHBondContact O-N 3.2Å; I307-E310 PolarHBondContact O-N 2.68Å; E310-H357 IonicContact OE1-CE1 3.66Å; E310-H357 IonicContact OE2-CE1 2.66Å; E310-H357 PolarHBondContact OE2-CE1 3.02Å; E310-H357 VanDerWaalsContact OE2-CE1 3.24Å; E310-H357 IonicContact OE2-NE2 3.19Å
311L95.3Very high95.2Very high52 Ų5254.8 Ų54.827%0.27228%0.282SS..Hα-helixtrans-72-51.9172.1-69.9179.5000112I307 I308 E349 L350 A353I307-L311 PolarHBondContact O-N 2.99Å; I308-L311 PolarHBondContact O-N 3.01Å; L311-E349 HydrophobicContact CD1-CG 4.29Å; L311-E349 HydrophobicContact CD2-CG 4.19Å; L311-L350 HydrophobicContact CD1-CD1 4.21Å; L311-A353 HydrophobicContact CD1-CB 3.69Å; L311-A353 HydrophobicContact CD2-CB 4.12Å; L311-A353 HydrophobicContact CG-CB 4.03Å
312W95.7Very high94.9Very high29 Ų2954.9 Ų54.911%0.1128%0.283CS..  trans-134.184.8-169.8-49.7-51.8000110.4I308 K309 T314 A315 W342 P346 E349 L350 F391I308-W312 HydrophobicContact CG2-CE3 4.18Å; I308-W312 PolarHBondContact O-N 3.45Å; K309-W312 CarbonylContact O-C 3.58Å; W312-T314 PolarHBondContact O-N 2.9Å; W312-A315 HydrophobicContact CB-CB 3.86Å; W312-A315 VanDerWaalsContact O-CB 3.26Å; W312-A315 WeakPolarHBondContact O-CB 3.4Å; W312-A315 PolarHBondContact O-N 3.14Å; W312-W342 HydrophobicContact CB-CZ2 4.25Å; W312-W342 AromaticContact CD2-CZ2 3.93Å; W312-W342 HydrophobicContact CD2-CZ2 3.93Å; W312-W342 AromaticContact CE3-CZ2 3.92Å; W312-W342 HydrophobicContact CE3-CZ2 3.92Å; W312-W342 HydrophobicContact CG-CZ2 4.07Å; W312-P346 HydrophobicContact CH2-CB 4.03Å; W312-P346 HydrophobicContact CH2-CG 3.41Å; W312-P346 VanDerWaalsContact CH2-CG 3.41Å; W312-P346 HydrophobicContact CZ2-CB 3.64Å; W312-P346 HydrophobicContact CZ2-CG 3.28Å; W312-P346 HydrophobicContact CZ3-CG 4.2Å; W312-E349 HydrophobicContact CZ2-CB 4Å; W312-E349 HydrophobicContact CZ2-CG 3.91Å; W312-E349 WeakPolarHBondContact CZ2-OE2 3.14Å; W312-E349 PolarHBondContact NE1-OE1 2.89Å; W312-L350 HydrophobicContact CH2-CB 3.85Å; W312-L350 HydrophobicContact CZ3-CB 4.22Å; W312-F391 HydrophobicContact CH2-CE1 4.23Å; W312-F391 HydrophobicContact CH2-CZ 4.06Å; W312-F391 AromaticContact CZ3-CE1 3.84Å; W312-F391 HydrophobicContact CZ3-CE1 3.84Å; W312-F391 AromaticContact CZ3-CZ 3.82Å; W312-F391 HydrophobicContact CZ3-CZ 3.82Å
313P95.1Very high94.7Very high99 Ų9948.5 Ų48.564%0.64326%0.255SS*.THydrogen-bonded Turntrans-57-25.5-176.3-27.934.3000114.8K309K309-P313 WeakPolarHBondContact O-CA 3.46Å; K309-P313 WeakPolarHBondContact O-CD 3.39Å; K309-P313 WeakPolarHBondContact O-CG 3.37Å
314T94.1Very high94.5Very high141 Ų14148 Ų4887%0.86526%0.258SS*.THydrogen-bonded Turntrans-90.4-3.1179550000114.2W312W312-T314 PolarHBondContact O-N 2.9Å
315A94.6Very high94.3Very high2 Ų248.8 Ų48.82%0.01726%0.263CS..  trans-70.9146.7172.100000110.9I308 K309 W312 V338 L339 W342I308-A315 HydrophobicContact CG2-CB 4.19Å; K309-A315 WeakPolarHBondContact CE-O 3.34Å; K309-A315 PolarHBondContact NZ-O 2.67Å; W312-A315 HydrophobicContact CB-CB 3.86Å; W312-A315 VanDerWaalsContact O-CB 3.26Å; W312-A315 WeakPolarHBondContact O-CB 3.4Å; W312-A315 PolarHBondContact O-N 3.14Å; A315-V338 HydrophobicContact CB-CG1 4.04Å; A315-L339 WeakPolarHBondContact CA-O 3.22Å; A315-W342 HydrophobicContact CB-CH2 3.75Å; A315-W342 HydrophobicContact CB-CZ2 4.1Å
316D93Very high94.1Very high67 Ų6747.3 Ų47.336%0.35827%0.266SS..EExtended strand (participates in β ladder)trans-111.2137.6173.1176.938.6000109.8Q318 V338 L339D316-Q318 PolarHBondContact OD2-NE2 2.86Å; D316-V338 CarbonylContact O-C 3.57Å; D316-V338 WeakPolarHBondContact O-CA 3.35Å; D316-L339 HydrophobicContact CB-CB 4.25Å; D316-L339 PolarHBondContact N-O 3.45Å; D316-L339 PolarHBondContact O-N 3.04Å
317V94.5Very high94Very high17 Ų1742.5 Ų42.510%0.10324%0.242CC..EExtended strand (participates in β ladder)trans-122112.6-171.6-179.30000108.7E305 I308 L336 V338E305-V317 HydrophobicContact CB-CG1 4.42Å; E305-V317 HydrophobicContact CG-CB 4.1Å; E305-V317 HydrophobicContact CG-CG2 4.14Å; I308-V317 HydrophobicContact CB-CG2 4.14Å; I308-V317 HydrophobicContact CD1-CG1 4.39Å; I308-V317 HydrophobicContact CD1-CG2 4.03Å; I308-V317 HydrophobicContact CG2-CG2 3.64Å; V317-L336 HydrophobicContact CG1-CD2 4.43Å; V317-V338 HydrophobicContact CG2-CG1 4.47Å
318Q93.8Very high94Very high64 Ų6442.7 Ų42.730%0.29924%0.242SC..EExtended strand (participates in β ladder)trans-119.4138-175.7-57.5-167.812.300112.1D316 V337 L339 V397D316-Q318 PolarHBondContact OD2-NE2 2.86Å; Q318-V337 HydrophobicContact CB-CG1 3.91Å; Q318-V337 PolarHBondContact N-O 3.22Å; Q318-V337 PolarHBondContact O-N 2.96Å; Q318-L339 HydrophobicContact CG-CD1 4.25Å; Q318-V397 HydrophobicContact CB-CG2 4.47Å
319I93.6Very high93.9Very high54 Ų5442.8 Ų42.828%0.27724%0.243SC..EExtended strand (participates in β ladder)trans-80.4126.5170.8-57.8163.5000108.8V301 F323 S324 L336V301-I319 HydrophobicContact CG1-CD1 4.19Å; V301-I319 HydrophobicContact CG1-CG1 4.14Å; V301-I319 HydrophobicContact CG2-CD1 4.16Å; V301-I319 HydrophobicContact CG2-CG1 4.19Å; I319-F323 HydrophobicContact CD1-CD1 4.03Å; I319-F323 HydrophobicContact CD1-CE1 3.79Å; I319-F323 HydrophobicContact CG1-CD1 4.4Å; I319-F323 HydrophobicContact CG2-CB 3.87Å; I319-F323 HydrophobicContact CG2-CD1 3.47Å; I319-F323 VanDerWaalsContact CG2-CD1 3.47Å; I319-F323 HydrophobicContact CG2-CE1 4.33Å; I319-F323 HydrophobicContact CG2-CG 3.95Å; I319-S324 WeakPolarHBondContact O-CB 3.35Å; I319-S324 PolarHBondContact O-OG 3.05Å; I319-L336 HydrophobicContact CB-CD2 4.47Å; I319-L336 HydrophobicContact CG1-CD2 3.81Å
320F90Very high93.8Very high36 Ų3639.7 Ų39.716%0.15823%0.23CC..  trans-118.3-158.4173.274.7-82.3000112.1S324 D335 L336 V337 V397F320-S324 VanDerWaalsContact C-CB 3.44Å; F320-S324 WeakPolarHBondContact O-CB 3.49Å; F320-S324 PolarHBondContact O-N 2.83Å; F320-D335 HydrophobicContact CD1-CB 3.83Å; F320-D335 WeakPolarHBondContact CD1-O 3.41Å; F320-D335 HydrophobicContact CD2-CB 3.97Å; F320-D335 HydrophobicContact CE1-CB 3.79Å; F320-D335 HydrophobicContact CE2-CB 3.93Å; F320-D335 HydrophobicContact CG-CB 3.92Å; F320-D335 HydrophobicContact CZ-CB 3.84Å; F320-D335 PolarHBondContact N-O 3.21Å; F320-L336 VanDerWaalsContact CE1-C 3.45Å; F320-L336 WeakPolarHBondContact CE1-O 3.25Å; F320-V337 HydrophobicContact CD1-CB 3.92Å; F320-V337 HydrophobicContact CD1-CG1 4.05Å; F320-V337 HydrophobicContact CE1-CB 4.02Å; F320-V397 HydrophobicContact CB-CG2 4.41Å
321G89.8Confident93.6Very high22 Ų2236.1 Ų36.123%0.22722%0.216CC..Hα-helixtrans57.1-136.6166.300000115.7T325 D335G321-T325 WeakPolarHBondContact O-CG2 3.5Å; G321-T325 PolarHBondContact O-N 3.44Å; G321-T325 PolarHBondContact O-OG1 3.2Å; G321-D335 WeakPolarHBondContact CA-OD2 3.47Å
322S91.1Very high93.6Very high14 Ų1434.7 Ų34.710%0.09821%0.21CC..Hα-helixtrans-72.8-35.7-169.971.50000112.7T325 G326 L327 Y328 D335S322-T325 WeakPolarHBondContact CA-OG1 3.5Å; S322-T325 PolarHBondContact O-OG1 2.98Å; S322-G326 PolarHBondContact O-N 3.27Å; S322-L327 PolarHBondContact O-N 3.45Å; S322-L327 VanDerWaalsContact O-N 3.12Å; S322-Y328 PolarHBondContact O-N 3.27Å; S322-D335 PolarHBondContact N-OD2 3.31Å; S322-D335 PolarHBondContact OG-OD2 2.76Å
323F93.2Very high93.6Very high23 Ų2335 Ų3510%0.10121%0.214CC..Hα-helixtrans-69.9-44.9177.6-172.5-151000111R297 K298 V301 I319 T325 G326 Y328 I334R297-F323 HydrophobicContact CB-CD1 4.38Å; R297-F323 HydrophobicContact CB-CE1 3.63Å; R297-F323 HydrophobicContact CB-CE2 3.81Å; R297-F323 HydrophobicContact CB-CZ 3.31Å; R297-F323 HydrophobicContact CG-CE2 4.45Å; R297-F323 HydrophobicContact CG-CZ 4.37Å; K298-F323 HydrophobicContact CG-CZ 4.35Å; V301-F323 HydrophobicContact CG2-CE1 4.3Å; I319-F323 HydrophobicContact CD1-CD1 4.03Å; I319-F323 HydrophobicContact CD1-CE1 3.79Å; I319-F323 HydrophobicContact CG1-CD1 4.4Å; I319-F323 HydrophobicContact CG2-CB 3.87Å; I319-F323 HydrophobicContact CG2-CD1 3.47Å; I319-F323 VanDerWaalsContact CG2-CD1 3.47Å; I319-F323 HydrophobicContact CG2-CE1 4.33Å; I319-F323 HydrophobicContact CG2-CG 3.95Å; F323-T325 VanDerWaalsContact C-N 3.3Å; F323-T325 PolarHBondContact O-N 2.71Å; F323-G326 PolarHBondContact O-N 3.15Å; F323-Y328 AromaticContact CD2-CD1 3.9Å; F323-Y328 HydrophobicContact CD2-CD1 3.9Å; F323-Y328 AromaticContact CD2-CE1 3.46Å; F323-Y328 HydrophobicContact CD2-CE1 3.46Å; F323-Y328 VanDerWaalsContact CD2-CE1 3.46Å; F323-Y328 AromaticContact CD2-CZ 3.88Å; F323-Y328 AromaticContact CE2-CE1 3.94Å; F323-Y328 HydrophobicContact CE2-CE1 3.94Å; F323-I334 HydrophobicContact CD1-CG1 4.49Å; F323-I334 HydrophobicContact CD1-CG2 4.05Å
324S91.8Very high93.6Very high34 Ų3430.3 Ų30.324%0.23818%0.183CC..Hα-helixtrans-62.8-34.6177.7-168.80000113I319 F320 K404I319-S324 WeakPolarHBondContact O-CB 3.35Å; I319-S324 PolarHBondContact O-OG 3.05Å; F320-S324 VanDerWaalsContact C-CB 3.44Å; F320-S324 WeakPolarHBondContact O-CB 3.49Å; F320-S324 PolarHBondContact O-N 2.83Å; S324-K404 WeakPolarHBondContact O-CE 3.35Å; S324-K404 PolarHBondContact O-NZ 3.13Å; S324-K404 PolarHBondContact OG-NZ 3.21Å
325T93.4Very high93.6Very high17 Ų1725.2 Ų25.210%0.10415%0.151CC..Hα-helixtrans-83.5-12.6-179.749.10000114.8G321 S322 F323 L327 A400 I403G321-T325 WeakPolarHBondContact O-CG2 3.5Å; G321-T325 PolarHBondContact O-N 3.44Å; G321-T325 PolarHBondContact O-OG1 3.2Å; S322-T325 WeakPolarHBondContact CA-OG1 3.5Å; S322-T325 PolarHBondContact O-OG1 2.98Å; F323-T325 VanDerWaalsContact C-N 3.3Å; F323-T325 PolarHBondContact O-N 2.71Å; T325-L327 PolarHBondContact O-N 3.16Å; T325-A400 HydrophobicContact CG2-CB 3.94Å; T325-I403 HydrophobicContact CG2-CB 4Å; T325-I403 HydrophobicContact CG2-CG2 3.9Å
326G94.1Very high93.6Very high35 Ų3525.1 Ų25.136%0.36115%0.15SC..THydrogen-bonded Turntrans72.610.5-17100000114.1S322 F323S322-G326 PolarHBondContact O-N 3.27Å; F323-G326 PolarHBondContact O-N 3.15Å
327L95Very high93.6Very high5 Ų521.9 Ų21.93%0.02613%0.133CC..  trans-101.434.7-179.1-60.2179.5000112.1S322 T325 I403 L407 I417 F418 K421 I443S322-L327 PolarHBondContact O-N 3.45Å; S322-L327 VanDerWaalsContact O-N 3.12Å; T325-L327 PolarHBondContact O-N 3.16Å; L327-I403 HydrophobicContact CD1-CG2 3.68Å; L327-L407 HydrophobicContact CD1-CD1 4.01Å; L327-L407 HydrophobicContact CD1-CD2 4.11Å; L327-L407 HydrophobicContact CD1-CG 4.48Å; L327-L407 HydrophobicContact CD2-CD1 4.1Å; L327-L407 HydrophobicContact CD2-CD2 3.88Å; L327-L407 HydrophobicContact CG-CD1 4.04Å; L327-L407 HydrophobicContact CG-CD2 4.44Å; L327-I417 HydrophobicContact CB-CG2 4.48Å; L327-I417 HydrophobicContact CD1-CG2 4.34Å; L327-I417 HydrophobicContact CD2-CG2 4.49Å; L327-F418 HydrophobicContact CD2-CE2 3.98Å; L327-K421 PolarHBondContact O-NZ 3.31Å; L327-I443 HydrophobicContact CD1-CD1 3.91Å; L327-I443 HydrophobicContact CD1-CG1 4.47Å
328Y96Very high93.6Very high8 Ų821.1 Ų21.13%0.03113%0.128CC..  trans-94.6138.9179.566.1-90.5000111.1P289 R297 S322 F323 F418P289-Y328 HydrophobicContact CB-CE1 3.75Å; P289-Y328 HydrophobicContact CB-CE2 4Å; P289-Y328 VanDerWaalsContact CB-CZ 3.49Å; P289-Y328 HydrophobicContact CG-CD1 3.69Å; P289-Y328 HydrophobicContact CG-CD2 4.11Å; P289-Y328 HydrophobicContact CG-CE1 3.38Å; P289-Y328 HydrophobicContact CG-CE2 3.83Å; P289-Y328 HydrophobicContact CG-CG 4.08Å; R297-Y328 VanDerWaalsContact CZ-CD2 3.48Å; R297-Y328 VanDerWaalsContact NE-CE2 3.25Å; S322-Y328 PolarHBondContact O-N 3.27Å; F323-Y328 AromaticContact CD2-CD1 3.9Å; F323-Y328 HydrophobicContact CD2-CD1 3.9Å; F323-Y328 AromaticContact CD2-CE1 3.46Å; F323-Y328 HydrophobicContact CD2-CE1 3.46Å; F323-Y328 VanDerWaalsContact CD2-CE1 3.46Å; F323-Y328 AromaticContact CD2-CZ 3.88Å; F323-Y328 AromaticContact CE2-CE1 3.94Å; F323-Y328 HydrophobicContact CE2-CE1 3.94Å; Y328-F418 VanDerWaalsContact O-CE1 3.24Å; Y328-F418 WeakPolarHBondContact O-CE1 3.39Å; Y328-F418 WeakPolarHBondContact O-CZ 3.47Å
329L95.7Very high93.5Very high3 Ų319 Ų192%0.01612%0.119CC..  trans-80.4163.5166.6-59.5178.6000109.1M287 R297 T331 S332 F418 K421 Q422 L425M287-L329 HydrophobicContact CE-CD2 3.99Å; R297-L329 PolarHBondContact NH2-O 2.68Å; L329-T331 PolarHBondContact O-N 3Å; L329-T331 VanDerWaalsContact O-N 3.14Å; L329-S332 WeakPolarHBondContact CB-OG 3.49Å; L329-S332 PolarHBondContact N-OG 3.35Å; L329-S332 WeakPolarHBondContact O-CB 3.31Å; L329-S332 PolarHBondContact O-N 3.4Å; L329-F418 HydrophobicContact CD2-CD1 3.58Å; L329-F418 HydrophobicContact CD2-CE1 4.01Å; L329-F418 HydrophobicContact CD2-CG 4.36Å; L329-K421 HydrophobicContact CD1-CB 3.8Å; L329-K421 HydrophobicContact CD2-CB 4.41Å; L329-K421 HydrophobicContact CG-CB 4.2Å; L329-Q422 HydrophobicContact CD1-CB 4.22Å; L329-L425 HydrophobicContact CD1-CB 4.43Å; L329-L425 HydrophobicContact CD1-CD2 3.66Å
330P93.9Very high93.3Very high4 Ų417.8 Ų17.83%0.02612%0.12CC..THydrogen-bonded Turntrans-55-38.9-175.7-28.437.8000113.5M287 R297 R581M287-P330 HydrophobicContact CE-CG 4.07Å; M287-P330 HydrophobicContact SD-CG 4.35Å; R297-P330 PolarHBondContact NH2-O 3.48Å; P330-R581 HydrophobicContact CB-CG 3.83Å; P330-R581 HydrophobicContact CG-CG 4.3Å; P330-R581 VanDerWaalsContact CG-NE 3.31Å
331T92.4Very high93.1Very high33 Ų3326.3 Ų26.320%0.20216%0.157CC..THydrogen-bonded Turntrans-957.9177.154.80000114.8L329 V577 Y580L329-T331 PolarHBondContact O-N 3Å; L329-T331 VanDerWaalsContact O-N 3.14Å; T331-V577 HydrophobicContact CG2-CG2 3.91Å; T331-Y580 HydrophobicContact CG2-CD1 4.45Å
332S94.8Very high92.8Very high21 Ų2128 Ų2815%0.14716%0.156CC..PPolyproline II helixtrans-70.2144.1175.6-69.90000111.7R297 L329R297-S332 PolarHBondContact NH1-O 2.82Å; R297-S332 PolarHBondContact NH2-O 2.9Å; L329-S332 WeakPolarHBondContact CB-OG 3.49Å; L329-S332 PolarHBondContact N-OG 3.35Å; L329-S332 WeakPolarHBondContact O-CB 3.31Å; L329-S332 PolarHBondContact O-N 3.4Å
333D94.8Very high92.3Very high36 Ų3636.4 Ų36.419%0.19319%0.194CC..PPolyproline II helixtrans-62.5168.2-179.2-54.118.4000112.4R297 K386R297-D333 PolarHBondContact NH1-O 3.16Å; D333-K386 CarbonylContact C-O 3.55Å; D333-K386 VanDerWaalsContact CA-O 3.25Å; D333-K386 WeakPolarHBondContact CA-O 3.39Å; D333-K386 HydrophobicContact CB-CB 3.96Å
334I95.9Very high91.8Very high0 Ų045 Ų450%023%0.225CC..EExtended strand (participates in β ladder)trans-102.3118.9169.2-61175.5000109.1R297 V300 V301 F323 L336 V385 K386 V387 D388R297-I334 HydrophobicContact CB-CD1 3.91Å; R297-I334 HydrophobicContact CG-CD1 3.97Å; R297-I334 HydrophobicContact CG-CG1 4.32Å; V300-I334 HydrophobicContact CB-CD1 4.1Å; V300-I334 HydrophobicContact CG1-CD1 4.08Å; V301-I334 HydrophobicContact CG2-CD1 4.27Å; V301-I334 HydrophobicContact CG2-CG2 3.83Å; F323-I334 HydrophobicContact CD1-CG1 4.49Å; F323-I334 HydrophobicContact CD1-CG2 4.05Å; I334-L336 HydrophobicContact CG2-CD2 4.16Å; I334-L336 HydrophobicContact CG2-CG 4.05Å; I334-V385 HydrophobicContact CD1-CG1 3.7Å; I334-V385 HydrophobicContact CG1-CG1 3.72Å; I334-K386 PolarHBondContact N-O 2.85Å; I334-V387 HydrophobicContact CB-CG1 4.22Å; I334-V387 HydrophobicContact CB-CG2 4.24Å; I334-V387 HydrophobicContact CD1-CG2 4.4Å; I334-V387 HydrophobicContact CG2-CG1 4.47Å; I334-V387 WeakPolarHBondContact O-CA 3.32Å; I334-D388 PolarHBondContact O-N 3.23Å
335D94.5Very high91.5Very high34 Ų3445.8 Ų45.818%0.18223%0.23CC..EExtended strand (participates in β ladder)trans-85.9111.3176.6-46.5-88.3000111.1F320 G321 S322F320-D335 HydrophobicContact CD1-CB 3.83Å; F320-D335 WeakPolarHBondContact CD1-O 3.41Å; F320-D335 HydrophobicContact CD2-CB 3.97Å; F320-D335 HydrophobicContact CE1-CB 3.79Å; F320-D335 HydrophobicContact CE2-CB 3.93Å; F320-D335 HydrophobicContact CG-CB 3.92Å; F320-D335 HydrophobicContact CZ-CB 3.84Å; F320-D335 PolarHBondContact N-O 3.21Å; G321-D335 WeakPolarHBondContact CA-OD2 3.47Å; S322-D335 PolarHBondContact N-OD2 3.31Å; S322-D335 PolarHBondContact OG-OD2 2.76Å
336L95.1Very high91.4Very high0 Ų046.1 Ų46.10%023%0.232CC..EExtended strand (participates in β ladder)trans-115.6134.6177.2-69.6-176.6000112.6V301 I304 V317 I319 F320 I334 V387 D388 I389 S390V301-L336 HydrophobicContact CG1-CD2 4.05Å; V301-L336 HydrophobicContact CG2-CD2 4.03Å; I304-L336 HydrophobicContact CB-CD1 4.42Å; I304-L336 HydrophobicContact CG2-CD1 3.87Å; V317-L336 HydrophobicContact CG1-CD2 4.43Å; I319-L336 HydrophobicContact CB-CD2 4.47Å; I319-L336 HydrophobicContact CG1-CD2 3.81Å; F320-L336 VanDerWaalsContact CE1-C 3.45Å; F320-L336 WeakPolarHBondContact CE1-O 3.25Å; I334-L336 HydrophobicContact CG2-CD2 4.16Å; I334-L336 HydrophobicContact CG2-CG 4.05Å; L336-V387 HydrophobicContact CD1-CG1 3.87Å; L336-V387 HydrophobicContact CG-CG1 4.17Å; L336-D388 PolarHBondContact N-O 3.49Å; L336-I389 HydrophobicContact CB-CG1 4.39Å; L336-I389 HydrophobicContact CD1-CG1 4.48Å; L336-I389 WeakPolarHBondContact O-CA 3.3Å; L336-S390 PolarHBondContact O-N 3.41Å; L336-S390 PolarHBondContact O-OG 3.06Å; L336-S390 VanDerWaalsContact O-OG 3.11Å
337V93.2Very high91.3Very high0 Ų045.1 Ų45.10%022%0.219CC..EExtended strand (participates in β ladder)trans-116.4128.8169.664.30000110.8Q318 F320 L339 S390 M393 V397Q318-V337 HydrophobicContact CB-CG1 3.91Å; Q318-V337 PolarHBondContact N-O 3.22Å; Q318-V337 PolarHBondContact O-N 2.96Å; F320-V337 HydrophobicContact CD1-CB 3.92Å; F320-V337 HydrophobicContact CD1-CG1 4.05Å; F320-V337 HydrophobicContact CE1-CB 4.02Å; V337-L339 HydrophobicContact CG1-CD2 4.48Å; V337-L339 HydrophobicContact CG2-CD2 3.69Å; V337-L339 HydrophobicContact CG2-CG 4.32Å; V337-S390 CarbonylContact C-O 3.57Å; V337-S390 WeakPolarHBondContact CA-O 3.39Å; V337-M393 HydrophobicContact CG2-CB 3.87Å; V337-V397 HydrophobicContact CG1-CG2 4.2Å
338V93.9Very high91.2Very high0 Ų051.2 Ų51.20%025%0.247CC..EExtended strand (participates in β ladder)trans-99.2120.6173.9-165.50000108.5I308 A315 D316 V317 W342 I389 S390 F391 N392I308-V338 HydrophobicContact CD1-CG2 3.88Å; I308-V338 HydrophobicContact CG2-CG1 3.79Å; A315-V338 HydrophobicContact CB-CG1 4.04Å; D316-V338 CarbonylContact O-C 3.57Å; D316-V338 WeakPolarHBondContact O-CA 3.35Å; V317-V338 HydrophobicContact CG2-CG1 4.47Å; V338-W342 HydrophobicContact CG1-CH2 3.66Å; V338-W342 HydrophobicContact CG1-CZ3 4.11Å; V338-I389 HydrophobicContact CG2-CG2 3.55Å; V338-S390 PolarHBondContact N-O 2.97Å; V338-F391 HydrophobicContact CB-CD1 4Å; V338-F391 HydrophobicContact CB-CE1 4Å; V338-F391 HydrophobicContact CB-CG 4.46Å; V338-F391 HydrophobicContact CB-CZ 4.46Å; V338-F391 HydrophobicContact CG1-CD1 4.38Å; V338-F391 HydrophobicContact CG1-CE1 4.09Å; V338-F391 HydrophobicContact CG2-CE1 4.49Å; V338-F391 HydrophobicContact CG2-CZ 4.47Å; V338-F391 CarbonylContact O-C 3.6Å; V338-F391 WeakPolarHBondContact O-CA 3.47Å; V338-N392 PolarHBondContact O-N 2.93Å
339L91.4Very high91.1Very high20 Ų2055.1 Ų55.111%0.10527%0.266CS..EExtended strand (participates in β ladder)trans-110.2131.6-175.3-60179.3000110.1A315 D316 Q318 V337 K394A315-L339 WeakPolarHBondContact CA-O 3.22Å; D316-L339 HydrophobicContact CB-CB 4.25Å; D316-L339 PolarHBondContact N-O 3.45Å; D316-L339 PolarHBondContact O-N 3.04Å; Q318-L339 HydrophobicContact CG-CD1 4.25Å; V337-L339 HydrophobicContact CG1-CD2 4.48Å; V337-L339 HydrophobicContact CG2-CD2 3.69Å; V337-L339 HydrophobicContact CG2-CG 4.32Å; L339-K394 HydrophobicContact CD1-CG 4.49Å; L339-K394 HydrophobicContact CD2-CG 3.68Å
340G89.2Confident91Very high29 Ų2955 Ų5530%0.29927%0.265SS..SBendtrans176.3-173.3-175.800000113.9W342 N392G340-W342 PolarHBondContact O-N 2.87Å; G340-N392 PolarHBondContact N-OD1 3.4Å; G340-N392 PolarHBondContact O-ND2 3.28Å; G340-N392 PolarHBondContact O-OD1 3.46Å; G340-N392 VanDerWaalsContact O-OD1 3.05Å
341K85.9Confident91.1Very high215 Ų21556.5 Ų56.594%0.93527%0.272SS*.  trans-99.484.9-174.2-64.6-178-178.2178.60110.5
342W84.6Confident91.2Very high57 Ų5761 Ų6122%0.21629%0.291CS..  trans-128.5132.7175.5-56.1-75.5000110.6W312 A315 V338 G340 P346 F391W312-W342 HydrophobicContact CB-CZ2 4.25Å; W312-W342 AromaticContact CD2-CZ2 3.93Å; W312-W342 HydrophobicContact CD2-CZ2 3.93Å; W312-W342 AromaticContact CE3-CZ2 3.92Å; W312-W342 HydrophobicContact CE3-CZ2 3.92Å; W312-W342 HydrophobicContact CG-CZ2 4.07Å; A315-W342 HydrophobicContact CB-CH2 3.75Å; A315-W342 HydrophobicContact CB-CZ2 4.1Å; V338-W342 HydrophobicContact CG1-CH2 3.66Å; V338-W342 HydrophobicContact CG1-CZ3 4.11Å; G340-W342 PolarHBondContact O-N 2.87Å; W342-P346 HydrophobicContact CD2-CG 4.46Å; W342-P346 HydrophobicContact CG-CG 4.29Å; W342-F391 HydrophobicContact CD2-CD1 4.29Å; W342-F391 AromaticContact CE3-CD1 3.75Å; W342-F391 HydrophobicContact CE3-CD1 3.75Å; W342-F391 HydrophobicContact CE3-CE1 4.33Å; W342-F391 HydrophobicContact CH2-CD1 4.24Å; W342-F391 HydrophobicContact CH2-CE1 4.22Å; W342-F391 HydrophobicContact CZ2-CE1 4.41Å; W342-F391 AromaticContact CZ3-CD1 3.69Å; W342-F391 HydrophobicContact CZ3-CD1 3.69Å; W342-F391 HydrophobicContact CZ3-CE1 4.13Å
343E79.3Confident91.2Very high190 Ų19060.5 Ų60.589%0.88829%0.287SS*.SBendtrans-74.1-33.1170-62-176.5168.900111.9
344R82.1Confident91.3Very high203 Ų20358.8 Ų58.877%0.76628%0.278SS*.SBendtrans-135.4134.9172.9-63.4-174.8-179.286.4-1.2108.8P346R344-P346 WeakPolarHBondContact O-CD 3.12Å
345P86.3Confident91.2Very high51 Ų5164.8 Ų64.833%0.33130%0.301SS..  trans-56.1125.1177.2-29.838.1000113.1L347 F391P345-L347 HydrophobicContact CB-CD2 4.01Å; P345-L347 HydrophobicContact CB-CG 3.96Å; P345-L347 PolarHBondContact O-N 3.39Å; P345-F391 HydrophobicContact CB-CB 3.84Å; P345-F391 HydrophobicContact CB-CD1 4.49Å; P345-F391 HydrophobicContact CB-CD2 4.07Å; P345-F391 HydrophobicContact CB-CG 3.89Å; P345-F391 HydrophobicContact CG-CB 3.96Å
346P91.4Very high91.2Very high24 Ų2470.4 Ų70.416%0.15632%0.324CS..  trans-79.958.3-179.534.3-39.1000112.4W312 W342 R344 Q348 E349 L350 F391W312-P346 HydrophobicContact CH2-CB 4.03Å; W312-P346 HydrophobicContact CH2-CG 3.41Å; W312-P346 VanDerWaalsContact CH2-CG 3.41Å; W312-P346 HydrophobicContact CZ2-CB 3.64Å; W312-P346 HydrophobicContact CZ2-CG 3.28Å; W312-P346 HydrophobicContact CZ3-CG 4.2Å; W342-P346 HydrophobicContact CD2-CG 4.46Å; W342-P346 HydrophobicContact CG-CG 4.29Å; R344-P346 WeakPolarHBondContact O-CD 3.12Å; P346-Q348 PolarHBondContact O-N 2.93Å; P346-E349 HydrophobicContact CB-CB 4.29Å; P346-E349 PolarHBondContact O-N 3.38Å; P346-L350 PolarHBondContact O-N 2.9Å; P346-F391 HydrophobicContact CG-CE1 3.93Å; P346-F391 HydrophobicContact CG-CZ 4.3Å
347L91.4Very high91.2Very high15 Ų1573.4 Ų73.48%0.07934%0.337CS..Hα-helixtrans-61.5-42.6-170.5-57.5164.9000112.9P345 E349 L350 E351 V367 D369 P374 I376 F391P345-L347 HydrophobicContact CB-CD2 4.01Å; P345-L347 HydrophobicContact CB-CG 3.96Å; P345-L347 PolarHBondContact O-N 3.39Å; L347-E349 VanDerWaalsContact C-N 3.32Å; L347-E349 PolarHBondContact O-N 2.8Å; L347-L350 PolarHBondContact O-N 3.21Å; L347-E351 WeakPolarHBondContact O-CB 3.41Å; L347-E351 PolarHBondContact O-N 3.17Å; L347-V367 HydrophobicContact CB-CG1 3.81Å; L347-V367 HydrophobicContact CD1-CG1 3.93Å; L347-V367 HydrophobicContact CG-CG1 4.41Å; L347-D369 HydrophobicContact CD1-CB 3.84Å; L347-P374 HydrophobicContact CD1-CB 3.67Å; L347-P374 HydrophobicContact CD2-CB 4.32Å; L347-I376 HydrophobicContact CB-CD1 4.29Å; L347-I376 HydrophobicContact CB-CG1 4.36Å; L347-I376 HydrophobicContact CD2-CD1 4.33Å; L347-I376 HydrophobicContact CD2-CG1 3.91Å; L347-I376 VanDerWaalsContact O-CD1 3.24Å; L347-I376 WeakPolarHBondContact O-CD1 3.38Å; L347-F391 HydrophobicContact CD2-CD2 3.78Å; L347-F391 HydrophobicContact CD2-CE2 3.82Å
348Q92.4Very high91.2Very high132 Ų13279 Ų7962%0.61737%0.367SS*.Hα-helixtrans-68.2-30.9-178.4-65.8179.5-3.900112.5P346 Q352P346-Q348 PolarHBondContact O-N 2.93Å; Q348-Q352 WeakPolarHBondContact O-CB 3.31Å; Q348-Q352 VanDerWaalsContact O-CG 3.24Å; Q348-Q352 WeakPolarHBondContact O-CG 3.49Å; Q348-Q352 PolarHBondContact O-N 3.25Å
349E93.9Very high91.2Very high91 Ų9179.3 Ų79.343%0.42537%0.369SS..Hα-helixtrans-70.5-44.5177.1-170.1-179.2170.200110.4L311 W312 P346 L347 Q352 A353L311-E349 HydrophobicContact CD1-CG 4.29Å; L311-E349 HydrophobicContact CD2-CG 4.19Å; W312-E349 HydrophobicContact CZ2-CB 4Å; W312-E349 HydrophobicContact CZ2-CG 3.91Å; W312-E349 WeakPolarHBondContact CZ2-OE2 3.14Å; W312-E349 PolarHBondContact NE1-OE1 2.89Å; P346-E349 HydrophobicContact CB-CB 4.29Å; P346-E349 PolarHBondContact O-N 3.38Å; L347-E349 VanDerWaalsContact C-N 3.32Å; L347-E349 PolarHBondContact O-N 2.8Å; E349-Q352 PolarHBondContact O-N 2.96Å; E349-A353 PolarHBondContact O-N 3.34Å
350L95.3Very high91.3Very high0 Ų078.8 Ų78.80%037%0.368CS..Hα-helixtrans-64.8-42.2173.1-176.454.4000111.9I308 L311 W312 P346 L347 Q352 A353 L354 I376 I389 F391I308-L350 HydrophobicContact CG1-CD1 3.73Å; I308-L350 HydrophobicContact CG1-CD2 4.32Å; L311-L350 HydrophobicContact CD1-CD1 4.21Å; W312-L350 HydrophobicContact CH2-CB 3.85Å; W312-L350 HydrophobicContact CZ3-CB 4.22Å; P346-L350 PolarHBondContact O-N 2.9Å; L347-L350 PolarHBondContact O-N 3.21Å; L350-Q352 VanDerWaalsContact C-N 3.34Å; L350-Q352 PolarHBondContact O-N 3.36Å; L350-A353 PolarHBondContact O-N 3.07Å; L350-L354 HydrophobicContact CD1-CD1 4.17Å; L350-L354 HydrophobicContact CD1-CD2 4.34Å; L350-L354 HydrophobicContact CD1-CG 3.94Å; L350-L354 HydrophobicContact CG-CD1 3.86Å; L350-L354 HydrophobicContact CG-CG 4.16Å; L350-L354 WeakPolarHBondContact O-CB 3.29Å; L350-L354 VanDerWaalsContact O-CG 3.22Å; L350-L354 WeakPolarHBondContact O-CG 3.31Å; L350-L354 PolarHBondContact O-N 3.29Å; L350-I376 HydrophobicContact CB-CD1 3.83Å; L350-I376 HydrophobicContact CD2-CD1 3.96Å; L350-I376 HydrophobicContact CG-CD1 3.95Å; L350-I389 HydrophobicContact CD2-CD1 4.18Å; L350-I389 HydrophobicContact CD2-CG2 3.94Å; L350-F391 HydrophobicContact CB-CZ 4.46Å; L350-F391 HydrophobicContact CD2-CE2 4.02Å; L350-F391 HydrophobicContact CD2-CZ 3.82Å
351E94.8Very high91.4Very high35 Ų3580.8 Ų80.816%0.16437%0.369CS..Hα-helixtrans-55.2-48.4173.5169173-148.100111.8L347 A353 L354 R355 I365 V367L347-E351 WeakPolarHBondContact O-CB 3.41Å; L347-E351 PolarHBondContact O-N 3.17Å; E351-A353 VanDerWaalsContact C-N 3.33Å; E351-A353 PolarHBondContact O-N 3.28Å; E351-L354 PolarHBondContact O-N 3.48Å; E351-R355 HydrophobicContact CG-CG 4.39Å; E351-R355 WeakPolarHBondContact O-CB 3.4Å; E351-R355 VanDerWaalsContact O-CG 3.28Å; E351-R355 WeakPolarHBondContact O-CG 3.28Å; E351-R355 PolarHBondContact O-N 3.39Å; E351-R355 IonicContact OE1-CZ 3.87Å; E351-R355 IonicContact OE1-NE 3.11Å; E351-R355 PolarHBondContact OE1-NE 2.8Å; E351-R355 IonicContact OE1-NH2 3.17Å; E351-R355 PolarHBondContact OE1-NH2 3.03Å; E351-I365 HydrophobicContact CB-CG2 4.48Å; E351-I365 HydrophobicContact CG-CG2 4.03Å; E351-V367 HydrophobicContact CB-CG2 4.11Å; E351-V367 HydrophobicContact CG-CG2 4.44Å; E351-V367 WeakPolarHBondContact OE2-CG2 3.34Å
352Q94.8Very high91.4Very high129 Ų12975.1 Ų75.160%0.60335%0.354SS*.Hα-helixtrans-62.9-39.1-179.7-74173.340.500111.9Q348 E349 L350 K356Q348-Q352 WeakPolarHBondContact O-CB 3.31Å; Q348-Q352 VanDerWaalsContact O-CG 3.24Å; Q348-Q352 WeakPolarHBondContact O-CG 3.49Å; Q348-Q352 PolarHBondContact O-N 3.25Å; E349-Q352 PolarHBondContact O-N 2.96Å; L350-Q352 VanDerWaalsContact C-N 3.34Å; L350-Q352 PolarHBondContact O-N 3.36Å; Q352-K356 WeakPolarHBondContact O-CB 3.23Å; Q352-K356 PolarHBondContact O-N 2.78Å
353A95.6Very high91.4Very high9 Ų981.3 Ų81.37%0.07438%0.383CS..Hα-helixtrans-68.1-45.3175.500000112.8I307 L311 E349 L350 E351 R355 K356 H357I307-A353 HydrophobicContact CG2-CB 3.64Å; L311-A353 HydrophobicContact CD1-CB 3.69Å; L311-A353 HydrophobicContact CD2-CB 4.12Å; L311-A353 HydrophobicContact CG-CB 4.03Å; E349-A353 PolarHBondContact O-N 3.34Å; L350-A353 PolarHBondContact O-N 3.07Å; E351-A353 VanDerWaalsContact C-N 3.33Å; E351-A353 PolarHBondContact O-N 3.28Å; A353-R355 VanDerWaalsContact C-N 3.3Å; A353-R355 PolarHBondContact O-N 3.49Å; A353-K356 PolarHBondContact O-N 3.38Å; A353-H357 PolarHBondContact O-CD2 2.89Å; A353-H357 VanDerWaalsContact O-CD2 3.22Å; A353-H357 PolarHBondContact O-N 3.31Å
354L95.6Very high92Very high0 Ų073 Ų730%035%0.346CS..Hα-helixtrans-58.9-41.5175.8-68.3169.5000111.5I307 L350 E351 N358 V359 I365 I376 L378 I389I307-L354 HydrophobicContact CD1-CD2 4.2Å; L350-L354 HydrophobicContact CD1-CD1 4.17Å; L350-L354 HydrophobicContact CD1-CD2 4.34Å; L350-L354 HydrophobicContact CD1-CG 3.94Å; L350-L354 HydrophobicContact CG-CD1 3.86Å; L350-L354 HydrophobicContact CG-CG 4.16Å; L350-L354 WeakPolarHBondContact O-CB 3.29Å; L350-L354 VanDerWaalsContact O-CG 3.22Å; L350-L354 WeakPolarHBondContact O-CG 3.31Å; L350-L354 PolarHBondContact O-N 3.29Å; E351-L354 PolarHBondContact O-N 3.48Å; L354-N358 PolarHBondContact O-N 2.99Å; L354-V359 HydrophobicContact CB-CG1 4.18Å; L354-V359 HydrophobicContact CD2-CG1 3.56Å; L354-V359 HydrophobicContact CG-CG1 4.48Å; L354-I365 HydrophobicContact CB-CD1 3.88Å; L354-I376 HydrophobicContact CD1-CG2 4.36Å; L354-L378 HydrophobicContact CD1-CD2 4.32Å; L354-I389 HydrophobicContact CD1-CD1 4.16Å
355R94.4Very high92.6Very high127 Ų12764.1 Ų64.148%0.47931%0.314SS..Hα-helixtrans-63.2-49.8172.7-71.9172.8178.9-108.86.7111.6E351 A353 H357 N358 I365E351-R355 HydrophobicContact CG-CG 4.39Å; E351-R355 WeakPolarHBondContact O-CB 3.4Å; E351-R355 VanDerWaalsContact O-CG 3.28Å; E351-R355 WeakPolarHBondContact O-CG 3.28Å; E351-R355 PolarHBondContact O-N 3.39Å; E351-R355 IonicContact OE1-CZ 3.87Å; E351-R355 IonicContact OE1-NE 3.11Å; E351-R355 PolarHBondContact OE1-NE 2.8Å; E351-R355 IonicContact OE1-NH2 3.17Å; E351-R355 PolarHBondContact OE1-NH2 3.03Å; A353-R355 VanDerWaalsContact C-N 3.3Å; A353-R355 PolarHBondContact O-N 3.49Å; R355-H357 VanDerWaalsContact C-N 3.29Å; R355-H357 PolarHBondContact O-N 3.36Å; R355-N358 PolarHBondContact O-N 3.38Å; R355-N358 VanDerWaalsContact O-N 3.15Å; R355-I365 HydrophobicContact CG-CD1 3.61Å
356K94.8Very high92.9Very high152 Ų15267.1 Ų67.166%0.66132%0.322SS*.Hα-helixtrans-58.5-37.3-179.2176-165.8168.7-144.70112.7Q352 A353 N358Q352-K356 WeakPolarHBondContact O-CB 3.23Å; Q352-K356 PolarHBondContact O-N 2.78Å; A353-K356 PolarHBondContact O-N 3.38Å; K356-N358 PolarHBondContact O-ND2 3.21Å
357H94.9Very high93Very high62 Ų6267.8 Ų67.829%0.28733%0.325SS..THydrogen-bonded Turntrans-87.4-2.6-178.5-72.2-119.4000113.4I307 E310 A353 R355 V359I307-H357 HydrophobicContact CD1-CB 3.67Å; I307-H357 HydrophobicContact CG1-CB 4.03Å; E310-H357 IonicContact OE1-CE1 3.66Å; E310-H357 IonicContact OE2-CE1 2.66Å; E310-H357 PolarHBondContact OE2-CE1 3.02Å; E310-H357 VanDerWaalsContact OE2-CE1 3.24Å; E310-H357 IonicContact OE2-NE2 3.19Å; A353-H357 PolarHBondContact O-CD2 2.89Å; A353-H357 VanDerWaalsContact O-CD2 3.22Å; A353-H357 PolarHBondContact O-N 3.31Å; R355-H357 VanDerWaalsContact C-N 3.29Å; R355-H357 PolarHBondContact O-N 3.36Å; H357-V359 PolarHBondContact O-N 3.36Å
358N93.4Very high92.9Very high117 Ų11770 Ų7063%0.62634%0.337SS*.THydrogen-bonded Turntrans52.139.3-180-53.9-88.2000113.4L354 R355 K356 Q381L354-N358 PolarHBondContact O-N 2.99Å; R355-N358 PolarHBondContact O-N 3.38Å; R355-N358 VanDerWaalsContact O-N 3.15Å; K356-N358 PolarHBondContact O-ND2 3.21Å; N358-Q381 PolarHBondContact O-OE1 2.78Å
359V93.4Very high92.6Very high7 Ų768.3 Ų68.34%0.04233%0.332CS..  trans-80.4-23.1177.472.10000112.2R303 I304 I307 L354 H357 L378 D380 Q381R303-V359 HydrophobicContact CB-CG2 4.24Å; I304-V359 HydrophobicContact CG1-CG2 4.21Å; I307-V359 HydrophobicContact CD1-CB 3.98Å; I307-V359 HydrophobicContact CD1-CG1 3.84Å; I307-V359 HydrophobicContact CD1-CG2 4.41Å; L354-V359 HydrophobicContact CB-CG1 4.18Å; L354-V359 HydrophobicContact CD2-CG1 3.56Å; L354-V359 HydrophobicContact CG-CG1 4.48Å; H357-V359 PolarHBondContact O-N 3.36Å; V359-L378 HydrophobicContact CG1-CD1 4.48Å; V359-D380 WeakPolarHBondContact O-CA 3.18Å; V359-D380 VanDerWaalsContact O-OD1 3.06Å; V359-Q381 PolarHBondContact O-N 3.25Å
360A93.3Very high92.1Very high9 Ų971.3 Ų71.37%0.07434%0.344CS..BIsolated β-bridgetrans-109.9148.2-174.900000112.8I365 L378 T379 Q381A360-I365 HydrophobicContact CB-CD1 3.73Å; A360-I365 HydrophobicContact CB-CG1 3.56Å; A360-L378 HydrophobicContact CB-CB 4.08Å; A360-L378 HydrophobicContact CB-CD1 3.76Å; A360-T379 CarbonylContact C-O 3.54Å; A360-T379 WeakPolarHBondContact CA-O 3.44Å; A360-T379 WeakPolarHBondContact CB-O 3.3Å; A360-Q381 PolarHBondContact O-OE1 3.09Å
361E91.3Very high91.2Very high71 Ų7171.8 Ų71.833%0.33235%0.348SS..  trans-52.7139170.8-68.7-175.5139.400110.4F363 S364 T379E361-F363 PolarHBondContact O-N 3.11Å; E361-S364 PolarHBondContact N-OG 2.71Å; E361-S364 VanDerWaalsContact O-CB 3.31Å; E361-S364 WeakPolarHBondContact O-CB 3.22Å; E361-S364 PolarHBondContact O-N 2.84Å; E361-S364 PolarHBondContact O-OG 2.81Å; E361-T379 HydrophobicContact CG-CG2 4.02Å; E361-T379 PolarHBondContact N-O 2.96Å; E361-T379 WeakPolarHBondContact OE2-CB 3.49Å; E361-T379 VanDerWaalsContact OE2-CG2 3.28Å; E361-T379 WeakPolarHBondContact OE2-CG2 3.43Å; E361-T379 PolarHBondContact OE2-OG1 3.36Å
362P85.7Confident90.2Very high96 Ų9673.6 Ų73.662%0.62336%0.361SS*.THydrogen-bonded Turntrans-50.8129.1177-2935.6000112.4S364P362-S364 PolarHBondContact O-N 3.36Å
363F86.3Confident89.3Confident187 Ų18767.9 Ų67.982%0.8234%0.335SS*.THydrogen-bonded Turntrans64.17.3-178-40.2-79.4000116.3E361E361-F363 PolarHBondContact O-N 3.11Å
364S91.5Very high88.8Confident16 Ų1669.2 Ų69.211%0.11234%0.343CS..  trans-76.3-26.6175.368.40000114E361 P362 K366 T379E361-S364 PolarHBondContact N-OG 2.71Å; E361-S364 VanDerWaalsContact O-CB 3.31Å; E361-S364 WeakPolarHBondContact O-CB 3.22Å; E361-S364 PolarHBondContact O-N 2.84Å; E361-S364 PolarHBondContact O-OG 2.81Å; P362-S364 PolarHBondContact O-N 3.36Å; S364-K366 PolarHBondContact O-N 2.96Å; S364-T379 PolarHBondContact OG-N 2.82Å; S364-T379 PolarHBondContact OG-O 3.37Å
365I94.1Very high88.5Confident16 Ų1669.6 Ų69.68%0.08235%0.345CS..  trans-67.4123-179.4-58166.4000109.7E351 L354 R355 A360 I376 K377 L378E351-I365 HydrophobicContact CB-CG2 4.48Å; E351-I365 HydrophobicContact CG-CG2 4.03Å; L354-I365 HydrophobicContact CB-CD1 3.88Å; R355-I365 HydrophobicContact CG-CD1 3.61Å; A360-I365 HydrophobicContact CB-CD1 3.73Å; A360-I365 HydrophobicContact CB-CG1 3.56Å; I365-I376 HydrophobicContact CG2-CG2 3.74Å; I365-K377 CarbonylContact C-O 3.59Å; I365-K377 VanDerWaalsContact CA-O 3.31Å; I365-K377 WeakPolarHBondContact CA-O 3.34Å; I365-L378 HydrophobicContact CG1-CB 3.88Å
366K93.3Very high88.5Confident114 Ų11463.6 Ų63.650%0.49632%0.322SS..EExtended strand (participates in β ladder)trans-130.1115.7178.2-64173.1-173.4175.20109.1S364 K377S364-K366 PolarHBondContact O-N 2.96Å; K366-K377 HydrophobicContact CB-CB 4.49Å; K366-K377 PolarHBondContact N-O 2.83Å; K366-K377 PolarHBondContact O-N 3.36Å
367V92.4Very high88.6Confident38 Ų3859.3 Ų59.323%0.2330%0.303CS..EExtended strand (participates in β ladder)trans-83.4128.7170.6-176.30000108.8L347 E351 D369 I376L347-V367 HydrophobicContact CB-CG1 3.81Å; L347-V367 HydrophobicContact CD1-CG1 3.93Å; L347-V367 HydrophobicContact CG-CG1 4.41Å; E351-V367 HydrophobicContact CB-CG2 4.11Å; E351-V367 HydrophobicContact CG-CG2 4.44Å; E351-V367 WeakPolarHBondContact OE2-CG2 3.34Å; V367-D369 HydrophobicContact CG1-CB 4.23Å; V367-I376 HydrophobicContact CG2-CG1 4.38Å
368L89.6Confident88.6Confident62 Ų6256.5 Ų56.533%0.32529%0.291SS..EExtended strand (participates in β ladder)trans-117.979.1177.3-59.2178.9000108.1P374 I375 K377L368-P374 WeakPolarHBondContact O-CA 3.41Å; L368-I375 PolarHBondContact N-O 2.73Å; L368-I375 PolarHBondContact O-N 2.8Å; L368-I375 VanDerWaalsContact O-N 3.11Å; L368-K377 HydrophobicContact CD1-CD 3.93Å; L368-K377 HydrophobicContact CD1-CG 4.06Å
369D85.9Confident88.8Confident96 Ų9652 Ų5251%0.51327%0.268SS..  trans-86.9-34.6-174.961.2-13000113.6L347 V367 A371L347-D369 HydrophobicContact CD1-CB 3.84Å; V367-D369 HydrophobicContact CG1-CB 4.23Å; D369-A371 PolarHBondContact O-N 2.73Å; D369-A371 VanDerWaalsContact O-N 3.16Å
370K83.6Confident88.9Confident155 Ų15551.7 Ų51.767%0.67427%0.266SS*.SBendtrans-59.5-18.9172.3-68.1-175.4175.8-1790114.2D660K370-D660 IonicContact NZ-OD1 3.65Å; K370-D660 PolarHBondContact NZ-OD1 3.41Å; K370-D660 IonicContact NZ-OD2 2.78Å; K370-D660 PolarHBondContact NZ-OD2 2.76Å
371A76.9Confident89Confident10 Ų1056.1 Ų56.18%0.08329%0.285CS..SBendtrans-73.5147.4-173.400000112.1D369 V373 L656D369-A371 PolarHBondContact O-N 2.73Å; D369-A371 VanDerWaalsContact O-N 3.16Å; A371-V373 CarbonylContact O-C 3.54Å; A371-V373 PolarHBondContact O-N 3.46Å; A371-L656 HydrophobicContact CB-CD2 4.22Å
372T73.4Confident89.1Confident73 Ų7357.5 Ų57.545%0.44829%0.291SS..SBendtrans-46.5-30.1175.3-50.50000114.2V653 S655T372-V653 HydrophobicContact CG2-CB 3.68Å; T372-V653 HydrophobicContact CG2-CG1 3.7Å; T372-V653 HydrophobicContact CG2-CG2 3.75Å; T372-S655 VanDerWaalsContact CB-O 3.23Å; T372-S655 WeakPolarHBondContact CB-O 2.83Å; T372-S655 WeakPolarHBondContact CG2-O 3.46Å
373V76.8Confident89.5Confident9 Ų953 Ų536%0.05526%0.262CS..SBendtrans-126.8114.7166.5171.70000106.3A371 I375 M393 V653 L656A371-V373 CarbonylContact O-C 3.54Å; A371-V373 PolarHBondContact O-N 3.46Å; V373-I375 HydrophobicContact CG1-CG1 4.29Å; V373-I375 PolarHBondContact O-N 3.1Å; V373-M393 HydrophobicContact CB-CE 4.43Å; V373-M393 HydrophobicContact CB-SD 4.31Å; V373-M393 HydrophobicContact CG1-CE 4.01Å; V373-M393 HydrophobicContact CG1-CG 3.52Å; V373-M393 HydrophobicContact CG1-SD 3.6Å; V373-M393 HydrophobicContact CG2-CE 3.51Å; V373-M393 HydrophobicContact CG2-SD 3.75Å; V373-V653 HydrophobicContact CG2-CG2 4.24Å; V373-L656 HydrophobicContact CB-CD2 3.83Å; V373-L656 HydrophobicContact CB-CG 4.2Å; V373-L656 HydrophobicContact CG1-CD2 4.48Å; V373-L656 WeakPolarHBondContact O-CD2 3.49Å
374P83.7Confident89.9Confident37 Ų3748.6 Ų48.624%0.2424%0.244CC..  trans-68.5131.5-179.5-23.734.9000112.5L347 L368L347-P374 HydrophobicContact CD1-CB 3.67Å; L347-P374 HydrophobicContact CD2-CB 4.32Å; L368-P374 WeakPolarHBondContact O-CA 3.41Å
375I90.9Very high90Very high8 Ų848.1 Ų48.14%0.04124%0.24CC..EExtended strand (participates in β ladder)trans-134.5145-175.3-72.2-173.7000111.4L368 V373 K377 D388 I389 L656L368-I375 PolarHBondContact N-O 2.73Å; L368-I375 PolarHBondContact O-N 2.8Å; L368-I375 VanDerWaalsContact O-N 3.11Å; V373-I375 HydrophobicContact CG1-CG1 4.29Å; V373-I375 PolarHBondContact O-N 3.1Å; I375-K377 HydrophobicContact CG2-CG 3.99Å; I375-D388 HydrophobicContact CG2-CB 4.23Å; I375-I389 CarbonylContact C-O 3.57Å; I375-I389 VanDerWaalsContact CA-O 3.3Å; I375-I389 WeakPolarHBondContact CA-O 3.46Å; I375-L656 HydrophobicContact CD1-CD1 3.63Å; I375-L656 HydrophobicContact CD1-CD2 3.71Å; I375-L656 HydrophobicContact CD1-CG 4.33Å; I375-L656 HydrophobicContact CG1-CD2 4.21Å
376I94.6Very high90.1Very high0 Ų051.1 Ų51.10%025%0.253CS..EExtended strand (participates in β ladder)trans-102.9118.4161.5-51.5-177.3000108.1L347 L350 L354 I365 V367 I389L347-I376 HydrophobicContact CB-CD1 4.29Å; L347-I376 HydrophobicContact CB-CG1 4.36Å; L347-I376 HydrophobicContact CD2-CD1 4.33Å; L347-I376 HydrophobicContact CD2-CG1 3.91Å; L347-I376 VanDerWaalsContact O-CD1 3.24Å; L347-I376 WeakPolarHBondContact O-CD1 3.38Å; L350-I376 HydrophobicContact CB-CD1 3.83Å; L350-I376 HydrophobicContact CD2-CD1 3.96Å; L350-I376 HydrophobicContact CG-CD1 3.95Å; L354-I376 HydrophobicContact CD1-CG2 4.36Å; I365-I376 HydrophobicContact CG2-CG2 3.74Å; V367-I376 HydrophobicContact CG2-CG1 4.38Å; I376-I389 HydrophobicContact CB-CB 4.45Å; I376-I389 PolarHBondContact N-O 3.19Å; I376-I389 PolarHBondContact O-N 3.13Å
377K95.1Very high90.3Very high62 Ų6245.7 Ų45.727%0.2723%0.229SC..EExtended strand (participates in β ladder)trans-93.5143.5168.5-60.3-165.8155.4-84.90109.6I365 K366 L368 I375 V387 D388I365-K377 CarbonylContact C-O 3.59Å; I365-K377 VanDerWaalsContact CA-O 3.31Å; I365-K377 WeakPolarHBondContact CA-O 3.34Å; K366-K377 HydrophobicContact CB-CB 4.49Å; K366-K377 PolarHBondContact N-O 2.83Å; K366-K377 PolarHBondContact O-N 3.36Å; L368-K377 HydrophobicContact CD1-CD 3.93Å; L368-K377 HydrophobicContact CD1-CG 4.06Å; I375-K377 HydrophobicContact CG2-CG 3.99Å; K377-V387 CarbonylContact C-O 3.55Å; K377-V387 WeakPolarHBondContact CA-O 3.42Å; K377-D388 WeakPolarHBondContact CE-OD2 3.25Å; K377-D388 WeakPolarHBondContact CG-OD1 3.25Å; K377-D388 IonicContact NZ-OD1 2.91Å; K377-D388 PolarHBondContact NZ-OD1 3.23Å; K377-D388 IonicContact NZ-OD2 3.69Å; K377-D388 PolarHBondContact NZ-OD2 3.11Å
378L95.9Very high90.4Very high4 Ų445 Ų452%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-149.4165.3170.264.7144.6000111.9I304 L354 V359 A360 I365 K386 V387 I389I304-L378 HydrophobicContact CD1-CD1 4.26Å; L354-L378 HydrophobicContact CD1-CD2 4.32Å; V359-L378 HydrophobicContact CG1-CD1 4.48Å; A360-L378 HydrophobicContact CB-CB 4.08Å; A360-L378 HydrophobicContact CB-CD1 3.76Å; I365-L378 HydrophobicContact CG1-CB 3.88Å; L378-K386 CarbonylContact O-C 3.57Å; L378-K386 VanDerWaalsContact O-CA 3.31Å; L378-K386 WeakPolarHBondContact O-CA 3.4Å; L378-V387 HydrophobicContact CD2-CB 3.94Å; L378-V387 HydrophobicContact CD2-CG1 4.4Å; L378-V387 HydrophobicContact CG-CB 4.03Å; L378-V387 PolarHBondContact N-O 3.13Å; L378-V387 PolarHBondContact O-N 3.41Å; L378-I389 HydrophobicContact CD2-CD1 3.79Å; L378-I389 HydrophobicContact CD2-CG1 4.09Å
379T96.6Very high90.7Very high23 Ų2342 Ų4214%0.14121%0.208CC..EExtended strand (participates in β ladder)trans-109.8129.8162.3-46.60000108.8A360 E361 S364A360-T379 CarbonylContact C-O 3.54Å; A360-T379 WeakPolarHBondContact CA-O 3.44Å; A360-T379 WeakPolarHBondContact CB-O 3.3Å; E361-T379 HydrophobicContact CG-CG2 4.02Å; E361-T379 PolarHBondContact N-O 2.96Å; E361-T379 WeakPolarHBondContact OE2-CB 3.49Å; E361-T379 VanDerWaalsContact OE2-CG2 3.28Å; E361-T379 WeakPolarHBondContact OE2-CG2 3.43Å; E361-T379 PolarHBondContact OE2-OG1 3.36Å; S364-T379 PolarHBondContact OG-N 2.82Å; S364-T379 PolarHBondContact OG-O 3.37Å
380D96.4Very high91Very high0 Ų037.5 Ų37.50%018%0.184CC..BIsolated β-bridgetrans-69131.8174.617271.3000112.4V300 R303 V359 E382 T383 E384 V385V300-D380 HydrophobicContact CG1-CB 4.04Å; V300-D380 HydrophobicContact CG2-CB 4.42Å; R303-D380 IonicContact CZ-OD1 3.77Å; R303-D380 IonicContact CZ-OD2 3.36Å; R303-D380 IonicContact NH1-OD1 2.68Å; R303-D380 PolarHBondContact NH1-OD1 3.42Å; R303-D380 IonicContact NH1-OD2 2.67Å; R303-D380 IonicContact NH2-OD1 2.65Å; R303-D380 PolarHBondContact NH2-OD1 2.84Å; R303-D380 IonicContact NH2-OD2 3.24Å; R303-D380 PolarHBondContact NH2-OD2 2.79Å; V359-D380 WeakPolarHBondContact O-CA 3.18Å; V359-D380 VanDerWaalsContact O-OD1 3.06Å; D380-E382 VanDerWaalsContact C-N 3.33Å; D380-E382 PolarHBondContact O-N 2.82Å; D380-E382 PolarHBondContact OD2-N 2.96Å; D380-T383 VanDerWaalsContact OD2-CB 3.27Å; D380-T383 WeakPolarHBondContact OD2-CB 3.2Å; D380-T383 VanDerWaalsContact OD2-CG2 3.27Å; D380-T383 WeakPolarHBondContact OD2-CG2 3.37Å; D380-T383 PolarHBondContact OD2-N 3.17Å; D380-T383 PolarHBondContact OD2-OG1 3.3Å; D380-E384 WeakPolarHBondContact O-CA 3.47Å; D380-E384 PolarHBondContact O-N 2.91Å; D380-V385 PolarHBondContact N-O 2.73Å
381Q94.7Very high91.3Very high102 Ų10230.7 Ų30.748%0.47716%0.155SC..THydrogen-bonded Turntrans-69.9-24.8-173.4-171.3173.4-18.300113.9N358 V359 A360N358-Q381 PolarHBondContact O-OE1 2.78Å; V359-Q381 PolarHBondContact O-N 3.25Å; A360-Q381 PolarHBondContact O-OE1 3.09Å
382E93.4Very high91.6Very high100 Ų10033 Ų3347%0.46717%0.166SC..THydrogen-bonded Turntrans-95.3-15-174.6-70.4-174.8-117.900114.6R303 D380 W583 K587R303-E382 WeakPolarHBondContact CD-OE1 3.23Å; R303-E382 IonicContact CZ-OE1 3.83Å; R303-E382 IonicContact NE-OE1 3.18Å; R303-E382 PolarHBondContact NE-OE1 3.15Å; R303-E382 IonicContact NH1-OE1 3.91Å; R303-E382 PolarHBondContact NH1-OE1 2.82Å; D380-E382 VanDerWaalsContact C-N 3.33Å; D380-E382 PolarHBondContact O-N 2.82Å; D380-E382 PolarHBondContact OD2-N 2.96Å; E382-W583 WeakPolarHBondContact O-CH2 3.48Å; E382-K587 PolarHBondContact O-NZ 3.17Å
383T94.3Very high91.9Very high2 Ų231.5 Ų31.51%0.01215%0.154CC..THydrogen-bonded Turntrans-134.9-9.5-17067.60000114.4M296 V300 D380 V385 Y580 W588M296-T383 HydrophobicContact CG-CG2 3.7Å; M296-T383 HydrophobicContact SD-CG2 3.71Å; V300-T383 HydrophobicContact CG2-CG2 3.72Å; V300-T383 WeakPolarHBondContact CG2-OG1 3.31Å; D380-T383 VanDerWaalsContact OD2-CB 3.27Å; D380-T383 WeakPolarHBondContact OD2-CB 3.2Å; D380-T383 VanDerWaalsContact OD2-CG2 3.27Å; D380-T383 WeakPolarHBondContact OD2-CG2 3.37Å; D380-T383 PolarHBondContact OD2-N 3.17Å; D380-T383 PolarHBondContact OD2-OG1 3.3Å; T383-V385 PolarHBondContact O-N 3.31Å; T383-V385 VanDerWaalsContact O-N 3.13Å; T383-V385 WeakPolarHBondContact OG1-CB 3.37Å; T383-V385 WeakPolarHBondContact OG1-CG2 3.49Å; T383-V385 PolarHBondContact OG1-N 3.09Å; T383-Y580 VanDerWaalsContact O-CE2 3.23Å; T383-Y580 WeakPolarHBondContact O-CE2 3.36Å; T383-Y580 PolarHBondContact O-OH 2.83Å; T383-W588 HydrophobicContact CG2-CH2 3.88Å; T383-W588 HydrophobicContact CG2-CZ2 4.18Å
384E93.9Very high91.9Very high94 Ų9437.7 Ų37.744%0.43918%0.18SC..  trans55.821.1-173-53.3-177.6-157.600114K239 D380 Y580K239-E384 WeakPolarHBondContact CE-OE2 3.29Å; K239-E384 IonicContact NZ-OE2 2.73Å; K239-E384 PolarHBondContact NZ-OE2 3.06Å; D380-E384 WeakPolarHBondContact O-CA 3.47Å; D380-E384 PolarHBondContact O-N 2.91Å; E384-Y580 HydrophobicContact CB-CE2 4.35Å
385V95.1Very high91.7Very high6 Ų638.8 Ų38.84%0.03619%0.189CC..  trans-83.9130.2176.71760000110.4M296 I334 D380 T383 Y580M296-V385 HydrophobicContact CE-CG2 3.55Å; M296-V385 HydrophobicContact SD-CG2 3.56Å; M296-V385 VanDerWaalsContact SD-CG2 3.56Å; I334-V385 HydrophobicContact CD1-CG1 3.7Å; I334-V385 HydrophobicContact CG1-CG1 3.72Å; D380-V385 PolarHBondContact N-O 2.73Å; T383-V385 PolarHBondContact O-N 3.31Å; T383-V385 VanDerWaalsContact O-N 3.13Å; T383-V385 WeakPolarHBondContact OG1-CB 3.37Å; T383-V385 WeakPolarHBondContact OG1-CG2 3.49Å; T383-V385 PolarHBondContact OG1-N 3.09Å; V385-Y580 WeakPolarHBondContact CG2-OH 3.35Å
386K95.6Very high91.1Very high79 Ų7938.9 Ų38.934%0.34319%0.192SC..EExtended strand (participates in β ladder)trans-74.8141.1172.2-65.3175.3-176.8177.70110.9D237 D333 I334 L378D237-K386 PolarHBondContact O-NZ 3.3Å; D333-K386 CarbonylContact C-O 3.55Å; D333-K386 VanDerWaalsContact CA-O 3.25Å; D333-K386 WeakPolarHBondContact CA-O 3.39Å; D333-K386 HydrophobicContact CB-CB 3.96Å; I334-K386 PolarHBondContact N-O 2.85Å; L378-K386 CarbonylContact O-C 3.57Å; L378-K386 VanDerWaalsContact O-CA 3.31Å; L378-K386 WeakPolarHBondContact O-CA 3.4Å
387V96.9Very high90.5Very high0 Ų041.2 Ų41.20%021%0.206CC..EExtended strand (participates in β ladder)trans-133.5131.4178.7-171.50000109.8V300 I304 I334 L336 K377 L378 I389V300-V387 HydrophobicContact CG1-CG2 3.91Å; I304-V387 HydrophobicContact CD1-CB 4.21Å; I304-V387 HydrophobicContact CD1-CG1 3.9Å; I304-V387 HydrophobicContact CD1-CG2 3.92Å; I334-V387 HydrophobicContact CB-CG1 4.22Å; I334-V387 HydrophobicContact CB-CG2 4.24Å; I334-V387 HydrophobicContact CD1-CG2 4.4Å; I334-V387 HydrophobicContact CG2-CG1 4.47Å; I334-V387 WeakPolarHBondContact O-CA 3.32Å; L336-V387 HydrophobicContact CD1-CG1 3.87Å; L336-V387 HydrophobicContact CG-CG1 4.17Å; K377-V387 CarbonylContact C-O 3.55Å; K377-V387 WeakPolarHBondContact CA-O 3.42Å; L378-V387 HydrophobicContact CD2-CB 3.94Å; L378-V387 HydrophobicContact CD2-CG1 4.4Å; L378-V387 HydrophobicContact CG-CB 4.03Å; L378-V387 PolarHBondContact N-O 3.13Å; L378-V387 PolarHBondContact O-N 3.41Å; V387-I389 HydrophobicContact CG1-CG1 4.05Å
388D95.1Very high90.2Very high22 Ų2245 Ų4512%0.11822%0.223CC..EExtended strand (participates in β ladder)trans-109.2114.9174.9-88.628.8000109.1I334 L336 I375 K377I334-D388 PolarHBondContact O-N 3.23Å; L336-D388 PolarHBondContact N-O 3.49Å; I375-D388 HydrophobicContact CG2-CB 4.23Å; K377-D388 WeakPolarHBondContact CE-OD2 3.25Å; K377-D388 WeakPolarHBondContact CG-OD1 3.25Å; K377-D388 IonicContact NZ-OD1 2.91Å; K377-D388 PolarHBondContact NZ-OD1 3.23Å; K377-D388 IonicContact NZ-OD2 3.69Å; K377-D388 PolarHBondContact NZ-OD2 3.11Å
389I95.1Very high90Very high0 Ų045.8 Ų45.80%023%0.23CC..EExtended strand (participates in β ladder)trans-107.1120.5179.3-49178.8000109.6I304 L336 V338 L350 L354 I375 I376 L378 V387I304-I389 HydrophobicContact CG2-CD1 3.77Å; L336-I389 HydrophobicContact CB-CG1 4.39Å; L336-I389 HydrophobicContact CD1-CG1 4.48Å; L336-I389 WeakPolarHBondContact O-CA 3.3Å; V338-I389 HydrophobicContact CG2-CG2 3.55Å; L350-I389 HydrophobicContact CD2-CD1 4.18Å; L350-I389 HydrophobicContact CD2-CG2 3.94Å; L354-I389 HydrophobicContact CD1-CD1 4.16Å; I375-I389 CarbonylContact C-O 3.57Å; I375-I389 VanDerWaalsContact CA-O 3.3Å; I375-I389 WeakPolarHBondContact CA-O 3.46Å; I376-I389 HydrophobicContact CB-CB 4.45Å; I376-I389 PolarHBondContact N-O 3.19Å; I376-I389 PolarHBondContact O-N 3.13Å; L378-I389 HydrophobicContact CD2-CD1 3.79Å; L378-I389 HydrophobicContact CD2-CG1 4.09Å; V387-I389 HydrophobicContact CG1-CG1 4.05Å
390S92.1Very high89.7Confident1 Ų144.9 Ų44.91%0.00723%0.225CC..EExtended strand (participates in β ladder)trans-116.1159177.564.50000111.3L336 V337 V338L336-S390 PolarHBondContact O-N 3.41Å; L336-S390 PolarHBondContact O-OG 3.06Å; L336-S390 VanDerWaalsContact O-OG 3.11Å; V337-S390 CarbonylContact C-O 3.57Å; V337-S390 WeakPolarHBondContact CA-O 3.39Å; V338-S390 PolarHBondContact N-O 2.97Å
391F90.1Very high89.6Confident12 Ų1247.9 Ų47.95%0.05325%0.246CC..EExtended strand (participates in β ladder)trans-113.6136.8178.6-77.2-100.8000112W312 V338 W342 P345 P346 L347 L350 M393W312-F391 HydrophobicContact CH2-CE1 4.23Å; W312-F391 HydrophobicContact CH2-CZ 4.06Å; W312-F391 AromaticContact CZ3-CE1 3.84Å; W312-F391 HydrophobicContact CZ3-CE1 3.84Å; W312-F391 AromaticContact CZ3-CZ 3.82Å; W312-F391 HydrophobicContact CZ3-CZ 3.82Å; V338-F391 HydrophobicContact CB-CD1 4Å; V338-F391 HydrophobicContact CB-CE1 4Å; V338-F391 HydrophobicContact CB-CG 4.46Å; V338-F391 HydrophobicContact CB-CZ 4.46Å; V338-F391 HydrophobicContact CG1-CD1 4.38Å; V338-F391 HydrophobicContact CG1-CE1 4.09Å; V338-F391 HydrophobicContact CG2-CE1 4.49Å; V338-F391 HydrophobicContact CG2-CZ 4.47Å; V338-F391 CarbonylContact O-C 3.6Å; V338-F391 WeakPolarHBondContact O-CA 3.47Å; W342-F391 HydrophobicContact CD2-CD1 4.29Å; W342-F391 AromaticContact CE3-CD1 3.75Å; W342-F391 HydrophobicContact CE3-CD1 3.75Å; W342-F391 HydrophobicContact CE3-CE1 4.33Å; W342-F391 HydrophobicContact CH2-CD1 4.24Å; W342-F391 HydrophobicContact CH2-CE1 4.22Å; W342-F391 HydrophobicContact CZ2-CE1 4.41Å; W342-F391 AromaticContact CZ3-CD1 3.69Å; W342-F391 HydrophobicContact CZ3-CD1 3.69Å; W342-F391 HydrophobicContact CZ3-CE1 4.13Å; P345-F391 HydrophobicContact CB-CB 3.84Å; P345-F391 HydrophobicContact CB-CD1 4.49Å; P345-F391 HydrophobicContact CB-CD2 4.07Å; P345-F391 HydrophobicContact CB-CG 3.89Å; P345-F391 HydrophobicContact CG-CB 3.96Å; P346-F391 HydrophobicContact CG-CE1 3.93Å; P346-F391 HydrophobicContact CG-CZ 4.3Å; L347-F391 HydrophobicContact CD2-CD2 3.78Å; L347-F391 HydrophobicContact CD2-CE2 3.82Å; L350-F391 HydrophobicContact CB-CZ 4.46Å; L350-F391 HydrophobicContact CD2-CE2 4.02Å; L350-F391 HydrophobicContact CD2-CZ 3.82Å; F391-M393 PolarHBondContact O-N 3.06Å
392N83.5Confident89.6Confident58 Ų5844.7 Ų44.731%0.3123%0.23SC..SBendtrans58.19.5174.2-74.1-24.4000117.6V338 G340 K394V338-N392 PolarHBondContact O-N 2.93Å; G340-N392 PolarHBondContact N-OD1 3.4Å; G340-N392 PolarHBondContact O-ND2 3.28Å; G340-N392 PolarHBondContact O-OD1 3.46Å; G340-N392 VanDerWaalsContact O-OD1 3.05Å; N392-K394 VanDerWaalsContact C-N 3.31Å; N392-K394 PolarHBondContact O-N 3.43Å
393M80.2Confident89.7Confident42 Ų4240.1 Ų40.121%0.20721%0.209CC..  trans-74.265.9-178.8-67.7-56.5-65.200114.9V337 V373 F391 S395 G396V337-M393 HydrophobicContact CG2-CB 3.87Å; V373-M393 HydrophobicContact CB-CE 4.43Å; V373-M393 HydrophobicContact CB-SD 4.31Å; V373-M393 HydrophobicContact CG1-CE 4.01Å; V373-M393 HydrophobicContact CG1-CG 3.52Å; V373-M393 HydrophobicContact CG1-SD 3.6Å; V373-M393 HydrophobicContact CG2-CE 3.51Å; V373-M393 HydrophobicContact CG2-SD 3.75Å; F391-M393 PolarHBondContact O-N 3.06Å; M393-S395 PolarHBondContact O-N 3.21Å; M393-G396 PolarHBondContact O-N 3.12Å
394K75.8Confident89.8Confident139 Ų13943.8 Ų43.860%0.60423%0.225SC*.THydrogen-bonded Turntrans-62.2-12.1179.7-64.6179.4-178.6178.40114.8L339 N392L339-K394 HydrophobicContact CD1-CG 4.49Å; L339-K394 HydrophobicContact CD2-CG 3.68Å; N392-K394 VanDerWaalsContact C-N 3.31Å; N392-K394 PolarHBondContact O-N 3.43Å
395S79.9Confident89.9Confident60 Ų6042.9 Ų42.942%0.4222%0.223SC..Hα-helixtrans-70.2-36.9176.649.70000113.1M393 V397 K398 A399M393-S395 PolarHBondContact O-N 3.21Å; S395-V397 VanDerWaalsContact C-N 3.28Å; S395-V397 PolarHBondContact O-N 3.03Å; S395-K398 WeakPolarHBondContact O-CB 3.33Å; S395-K398 PolarHBondContact O-N 2.94Å; S395-K398 VanDerWaalsContact O-N 3.12Å; S395-A399 PolarHBondContact O-N 3.44Å
396G79Confident90Very high11 Ų1144.1 Ų44.111%0.11323%0.227CC..Hα-helixtrans-60.9-34.5-177.200000113.7M393 A399 A400M393-G396 PolarHBondContact O-N 3.12Å; G396-A399 PolarHBondContact O-N 2.85Å; G396-A400 PolarHBondContact O-N 2.9Å
397V82.3Confident90Very high49 Ų4941.9 Ų41.930%0.29722%0.219SC..Hα-helixtrans-70.1-40.4177-174.70000111.1Q318 F320 V337 S395 A400 S401Q318-V397 HydrophobicContact CB-CG2 4.47Å; F320-V397 HydrophobicContact CB-CG2 4.41Å; V337-V397 HydrophobicContact CG1-CG2 4.2Å; S395-V397 VanDerWaalsContact C-N 3.28Å; S395-V397 PolarHBondContact O-N 3.03Å; V397-A400 PolarHBondContact O-N 3.33Å; V397-S401 PolarHBondContact O-N 3.41Å; V397-S401 VanDerWaalsContact O-N 3.1Å
398K89.3Confident90Very high141 Ų14149.3 Ų49.361%0.61325%0.251SS*.Hα-helixtrans-64-42.3173.7-66.9-176.1176.6-175.30111.5S395 A400 S401 F402 L520S395-K398 WeakPolarHBondContact O-CB 3.33Å; S395-K398 PolarHBondContact O-N 2.94Å; S395-K398 VanDerWaalsContact O-N 3.12Å; K398-A400 VanDerWaalsContact C-N 3.32Å; K398-A400 PolarHBondContact O-N 3.42Å; K398-S401 PolarHBondContact O-N 3.45Å; K398-F402 WeakPolarHBondContact O-CB 3.32Å; K398-F402 PolarHBondContact O-N 2.91Å; K398-L520 HydrophobicContact CB-CD1 4.1Å
399A90.7Very high90.1Very high20 Ų2051.9 Ų51.917%0.16526%0.261CS..Hα-helixtrans-59.6-42.2174.300000111.8S395 G396 S401 F402 I403 Y440 L520S395-A399 PolarHBondContact O-N 3.44Å; G396-A399 PolarHBondContact O-N 2.85Å; A399-S401 PolarHBondContact O-N 3.19Å; A399-F402 PolarHBondContact O-N 3.06Å; A399-I403 WeakPolarHBondContact O-CG1 3.45Å; A399-I403 PolarHBondContact O-N 2.83Å; A399-Y440 HydrophobicContact CB-CE2 4.41Å; A399-L520 VanDerWaalsContact CA-CD1 3.49Å; A399-L520 HydrophobicContact CB-CD1 4.02Å
400A91.1Very high90.2Very high4 Ų452.2 Ų52.23%0.03326%0.263CS..Hα-helixtrans-63-38.1175.900000112.9T325 G396 V397 K398 K404T325-A400 HydrophobicContact CG2-CB 3.94Å; G396-A400 PolarHBondContact O-N 2.9Å; V397-A400 PolarHBondContact O-N 3.33Å; K398-A400 VanDerWaalsContact C-N 3.32Å; K398-A400 PolarHBondContact O-N 3.42Å; A400-K404 WeakPolarHBondContact O-CD 3.48Å; A400-K404 VanDerWaalsContact O-CG 3.26Å; A400-K404 WeakPolarHBondContact O-CG 3.19Å; A400-K404 PolarHBondContact O-N 3.12Å; A400-K404 VanDerWaalsContact O-N 3.16Å
401S92.6Very high90.4Very high63 Ų6354.3 Ų54.344%0.44128%0.276SS..Hα-helixtrans-67-49.7173.6-1640000111.8V397 K398 A399 I403 K404 D405V397-S401 PolarHBondContact O-N 3.41Å; V397-S401 VanDerWaalsContact O-N 3.1Å; K398-S401 PolarHBondContact O-N 3.45Å; A399-S401 PolarHBondContact O-N 3.19Å; S401-I403 VanDerWaalsContact C-N 3.3Å; S401-I403 PolarHBondContact O-N 2.96Å; S401-K404 WeakPolarHBondContact O-CA 3.41Å; S401-K404 WeakPolarHBondContact O-CB 3.49Å; S401-K404 PolarHBondContact O-N 3.02Å; S401-D405 PolarHBondContact O-N 3.44Å; S401-D405 VanDerWaalsContact O-N 3.08Å
402F94.8Very high90.7Very high36 Ų3653.9 Ų53.916%0.15827%0.274CS..Hα-helixtrans-54.8-44.3178.9174.4-94000112K398 A399 D405 Y406 L444 I489 P519 L520K398-F402 WeakPolarHBondContact O-CB 3.32Å; K398-F402 PolarHBondContact O-N 2.91Å; A399-F402 PolarHBondContact O-N 3.06Å; F402-D405 PolarHBondContact O-N 2.88Å; F402-Y406 HydrophobicContact CD1-CD2 4.5Å; F402-Y406 HydrophobicContact CD2-CE2 4.32Å; F402-Y406 HydrophobicContact CE1-CD2 4.09Å; F402-Y406 HydrophobicContact CE1-CE2 4.09Å; F402-Y406 HydrophobicContact CE2-CD2 4.17Å; F402-Y406 AromaticContact CE2-CE2 3.59Å; F402-Y406 HydrophobicContact CE2-CE2 3.59Å; F402-Y406 AromaticContact CZ-CD2 3.91Å; F402-Y406 HydrophobicContact CZ-CD2 3.91Å; F402-Y406 AromaticContact CZ-CE2 3.44Å; F402-Y406 HydrophobicContact CZ-CE2 3.44Å; F402-Y406 VanDerWaalsContact CZ-CE2 3.44Å; F402-Y406 WeakPolarHBondContact O-CD2 3.44Å; F402-Y406 PolarHBondContact O-N 2.71Å; F402-L444 HydrophobicContact CE1-CD2 3.96Å; F402-I489 HydrophobicContact CZ-CG2 4.06Å; F402-P519 HydrophobicContact CD1-CG 4.31Å; F402-P519 HydrophobicContact CE1-CB 4.29Å; F402-P519 HydrophobicContact CE1-CG 3.56Å; F402-P519 HydrophobicContact CE2-CB 3.85Å; F402-P519 HydrophobicContact CE2-CG 4Å; F402-P519 HydrophobicContact CZ-CB 3.59Å; F402-P519 HydrophobicContact CZ-CG 3.38Å; F402-L520 HydrophobicContact CB-CD1 4.11Å; F402-L520 HydrophobicContact CB-CD2 4.27Å; F402-L520 HydrophobicContact CD2-CD2 4.12Å; F402-L520 HydrophobicContact CG-CD1 4.46Å; F402-L520 HydrophobicContact CG-CD2 4.31Å; F402-L520 HydrophobicContact CG-CG 4.5Å
403I96.3Very high91.4Very high4 Ų451.1 Ų51.12%0.02126%0.26CS..Hα-helixtrans-65.4-40.2175.3-66.7-48.9000112T325 L327 A399 S401 D405 Y406 L407 Y440 I443 I447T325-I403 HydrophobicContact CG2-CB 4Å; T325-I403 HydrophobicContact CG2-CG2 3.9Å; L327-I403 HydrophobicContact CD1-CG2 3.68Å; A399-I403 WeakPolarHBondContact O-CG1 3.45Å; A399-I403 PolarHBondContact O-N 2.83Å; S401-I403 VanDerWaalsContact C-N 3.3Å; S401-I403 PolarHBondContact O-N 2.96Å; I403-D405 VanDerWaalsContact C-N 3.26Å; I403-D405 PolarHBondContact O-N 3.22Å; I403-Y406 PolarHBondContact O-N 2.96Å; I403-Y406 VanDerWaalsContact O-N 3.16Å; I403-L407 HydrophobicContact CG2-CD1 4.12Å; I403-L407 HydrophobicContact CG2-CG 4.27Å; I403-L407 WeakPolarHBondContact O-CG 3.38Å; I403-L407 PolarHBondContact O-N 2.74Å; I403-Y440 HydrophobicContact CD1-CD2 4.37Å; I403-Y440 HydrophobicContact CD1-CE2 4.04Å; I403-Y440 HydrophobicContact CG1-CD2 4.44Å; I403-Y440 HydrophobicContact CG1-CE2 4.24Å; I403-I443 HydrophobicContact CD1-CB 4.27Å; I403-I443 HydrophobicContact CD1-CG2 3.45Å; I403-I443 VanDerWaalsContact CD1-CG2 3.45Å; I403-I443 HydrophobicContact CG1-CG2 4.29Å; I403-I443 HydrophobicContact CG2-CD1 4.49Å; I403-I443 HydrophobicContact CG2-CG2 4.27Å; I403-I447 HydrophobicContact CD1-CD1 3.93Å
404K95.9Very high92.3Very high79 Ų7950 Ų5034%0.34326%0.255SS..Hα-helixtrans-58.4-36.9175.2-74.8167.2-175.9176.90112.6S324 A400 S401 L407 K408S324-K404 WeakPolarHBondContact O-CE 3.35Å; S324-K404 PolarHBondContact O-NZ 3.13Å; S324-K404 PolarHBondContact OG-NZ 3.21Å; A400-K404 WeakPolarHBondContact O-CD 3.48Å; A400-K404 VanDerWaalsContact O-CG 3.26Å; A400-K404 WeakPolarHBondContact O-CG 3.19Å; A400-K404 PolarHBondContact O-N 3.12Å; A400-K404 VanDerWaalsContact O-N 3.16Å; S401-K404 WeakPolarHBondContact O-CA 3.41Å; S401-K404 WeakPolarHBondContact O-CB 3.49Å; S401-K404 PolarHBondContact O-N 3.02Å; K404-L407 PolarHBondContact O-N 2.85Å; K404-K408 WeakPolarHBondContact O-CG 3.45Å; K404-K408 PolarHBondContact O-N 2.84Å; K404-K408 VanDerWaalsContact O-N 3.11Å
405D96.2Very high93.4Very high75 Ų7546.2 Ų46.240%0.40124%0.238SC..Hα-helixtrans-72.6-32.9178.4-62.6-40.5000112.4S401 F402 I403 K408 K409S401-D405 PolarHBondContact O-N 3.44Å; S401-D405 VanDerWaalsContact O-N 3.08Å; F402-D405 PolarHBondContact O-N 2.88Å; I403-D405 VanDerWaalsContact C-N 3.26Å; I403-D405 PolarHBondContact O-N 3.22Å; D405-K408 IonicContact OD1-NZ 2.74Å; D405-K408 PolarHBondContact OD1-NZ 3.03Å; D405-K409 WeakPolarHBondContact O-CB 3.5Å; D405-K409 PolarHBondContact O-N 3.33Å; D405-K409 VanDerWaalsContact O-N 3.16Å
406Y97.1Very high94.2Very high31 Ų3143.4 Ų43.412%0.12222%0.218CC..Hα-helixtrans-71-32.3169.4-87-94.6000113.5F402 I403 K409 Y410 I447 Q451 I489F402-Y406 HydrophobicContact CD1-CD2 4.5Å; F402-Y406 HydrophobicContact CD2-CE2 4.32Å; F402-Y406 HydrophobicContact CE1-CD2 4.09Å; F402-Y406 HydrophobicContact CE1-CE2 4.09Å; F402-Y406 HydrophobicContact CE2-CD2 4.17Å; F402-Y406 AromaticContact CE2-CE2 3.59Å; F402-Y406 HydrophobicContact CE2-CE2 3.59Å; F402-Y406 AromaticContact CZ-CD2 3.91Å; F402-Y406 HydrophobicContact CZ-CD2 3.91Å; F402-Y406 AromaticContact CZ-CE2 3.44Å; F402-Y406 HydrophobicContact CZ-CE2 3.44Å; F402-Y406 VanDerWaalsContact CZ-CE2 3.44Å; F402-Y406 WeakPolarHBondContact O-CD2 3.44Å; F402-Y406 PolarHBondContact O-N 2.71Å; I403-Y406 PolarHBondContact O-N 2.96Å; I403-Y406 VanDerWaalsContact O-N 3.16Å; Y406-K409 PolarHBondContact O-N 3.45Å; Y406-Y410 AromaticContact CD1-CD2 3.78Å; Y406-Y410 HydrophobicContact CD1-CD2 3.78Å; Y406-Y410 AromaticContact CD1-CE2 3.6Å; Y406-Y410 HydrophobicContact CD1-CE2 3.6Å; Y406-Y410 HydrophobicContact CE1-CD2 4.44Å; Y406-Y410 AromaticContact CE1-CE2 3.81Å; Y406-Y410 HydrophobicContact CE1-CE2 3.81Å; Y406-Y410 PolarHBondContact O-N 2.84Å; Y406-I447 HydrophobicContact CD1-CB 4.28Å; Y406-I447 HydrophobicContact CD1-CD1 3.79Å; Y406-I447 HydrophobicContact CD1-CG1 3.85Å; Y406-I447 HydrophobicContact CD1-CG2 3.42Å; Y406-I447 VanDerWaalsContact CD1-CG2 3.42Å; Y406-I447 HydrophobicContact CD2-CD1 4.39Å; Y406-I447 HydrophobicContact CE1-CG2 3.32Å; Y406-I447 HydrophobicContact CG-CD1 3.69Å; Y406-I447 HydrophobicContact CG-CG1 4.22Å; Y406-I447 HydrophobicContact CG-CG2 4.34Å; Y406-Q451 PolarHBondContact OH-NE2 2.77Å; Y406-I489 HydrophobicContact CE1-CG2 4.46Å; Y406-I489 PolarHBondContact OH-O 3.26Å
407L96.8Very high95.2Very high32 Ų3242.9 Ų42.917%0.16821%0.212CC..Hα-helixtrans-65.7-37.6172.8-67.5169.6000112.4L327 I403 K404 K409 L413 P414L327-L407 HydrophobicContact CD1-CD1 4.01Å; L327-L407 HydrophobicContact CD1-CD2 4.11Å; L327-L407 HydrophobicContact CD1-CG 4.48Å; L327-L407 HydrophobicContact CD2-CD1 4.1Å; L327-L407 HydrophobicContact CD2-CD2 3.88Å; L327-L407 HydrophobicContact CG-CD1 4.04Å; L327-L407 HydrophobicContact CG-CD2 4.44Å; I403-L407 HydrophobicContact CG2-CD1 4.12Å; I403-L407 HydrophobicContact CG2-CG 4.27Å; I403-L407 WeakPolarHBondContact O-CG 3.38Å; I403-L407 PolarHBondContact O-N 2.74Å; K404-L407 PolarHBondContact O-N 2.85Å; L407-K409 VanDerWaalsContact C-N 3.33Å; L407-L413 HydrophobicContact CD2-CB 4.29Å; L407-L413 HydrophobicContact CD2-CD2 3.87Å; L407-L413 HydrophobicContact CD2-CG 3.92Å; L407-L413 HydrophobicContact CG-CD2 4.43Å; L407-P414 HydrophobicContact CD2-CG 3.9Å
408K96.5Very high95.9Very high157 Ų15740.6 Ų40.668%0.68320%0.199SC*.Hα-helixtrans-65-37.1171.2-64166-164164.50112.1K404 D405K404-K408 WeakPolarHBondContact O-CG 3.45Å; K404-K408 PolarHBondContact O-N 2.84Å; K404-K408 VanDerWaalsContact O-N 3.11Å; D405-K408 IonicContact OD1-NZ 2.74Å; D405-K408 PolarHBondContact OD1-NZ 3.03Å
409K96.3Very high96.4Very high76 Ų7633.9 Ų33.933%0.3317%0.169SC..Hα-helixtrans-78.4-28.9-174.6-175.5177172.3-174.30113.7D405 Y406 L407 R459D405-K409 WeakPolarHBondContact O-CB 3.5Å; D405-K409 PolarHBondContact O-N 3.33Å; D405-K409 VanDerWaalsContact O-N 3.16Å; Y406-K409 PolarHBondContact O-N 3.45Å; L407-K409 VanDerWaalsContact C-N 3.33Å; K409-R459 WeakPolarHBondContact O-CG 3.46Å
410Y97.3Very high96.7Very high7 Ų732.9 Ų32.93%0.02716%0.161CC..  trans-130.488.2-175.7-65.1-77.1000110.2Y406 V412 L413 L450 Q451 A458 R459Y406-Y410 AromaticContact CD1-CD2 3.78Å; Y406-Y410 HydrophobicContact CD1-CD2 3.78Å; Y406-Y410 AromaticContact CD1-CE2 3.6Å; Y406-Y410 HydrophobicContact CD1-CE2 3.6Å; Y406-Y410 HydrophobicContact CE1-CD2 4.44Å; Y406-Y410 AromaticContact CE1-CE2 3.81Å; Y406-Y410 HydrophobicContact CE1-CE2 3.81Å; Y406-Y410 PolarHBondContact O-N 2.84Å; Y410-V412 PolarHBondContact O-N 3.23Å; Y410-L413 WeakPolarHBondContact O-CB 3.33Å; Y410-L413 PolarHBondContact O-N 3.19Å; Y410-L450 HydrophobicContact CD1-CB 4.16Å; Y410-L450 HydrophobicContact CE1-CB 4.33Å; Y410-L450 HydrophobicContact CG-CD1 4.5Å; Y410-Q451 WeakPolarHBondContact OH-CG 3.27Å; Y410-A458 HydrophobicContact CD1-CB 3.65Å; Y410-A458 HydrophobicContact CE1-CB 4.1Å; Y410-R459 HydrophobicContact CD1-CG 4.42Å; Y410-R459 HydrophobicContact CE1-CG 4.22Å
411P96.7Very high97Very high44 Ų4433.3 Ų33.329%0.28616%0.163SC..THydrogen-bonded Turntrans-60-22.2-174.7-25.335.2000114.6P414 Y415 R459 P461P411-P414 VanDerWaalsContact O-CD 3.29Å; P411-P414 WeakPolarHBondContact O-CD 3.28Å; P411-Y415 WeakPolarHBondContact O-CE2 3.16Å; P411-R459 VanDerWaalsContact CD-O 3.28Å; P411-R459 WeakPolarHBondContact CD-O 3.49Å; P411-P461 HydrophobicContact CB-CB 3.87Å; P411-P461 HydrophobicContact CG-CB 4.22Å
412V97.3Very high97.3Very high3 Ų330.4 Ų30.42%0.01814%0.142CC..THydrogen-bonded Turntrans-79.3-15.3175.4-630000114.3Y410 Y415 L416 L450 A458 Q463 L465 L468Y410-V412 PolarHBondContact O-N 3.23Å; V412-Y415 PolarHBondContact O-N 3.38Å; V412-L416 PolarHBondContact O-N 3.11Å; V412-L450 HydrophobicContact CG2-CD1 3.91Å; V412-L450 HydrophobicContact CG2-CD2 4Å; V412-A458 HydrophobicContact CG2-CB 3.89Å; V412-Q463 HydrophobicContact CG1-CB 4.18Å; V412-L465 HydrophobicContact CB-CD2 3.6Å; V412-L465 HydrophobicContact CG1-CD2 3.74Å; V412-L468 HydrophobicContact CB-CD1 4.32Å; V412-L468 HydrophobicContact CG1-CD1 4.39Å; V412-L468 HydrophobicContact CG2-CD1 4.08Å
413L98Very high97.4Very high0 Ų028.7 Ų28.70%013%0.134CC..Hα-helixtrans-58.8-44.7-176.5179.560.8000114L407 Y410 Y415 L416 I417 V446 I447 L450L407-L413 HydrophobicContact CD2-CB 4.29Å; L407-L413 HydrophobicContact CD2-CD2 3.87Å; L407-L413 HydrophobicContact CD2-CG 3.92Å; L407-L413 HydrophobicContact CG-CD2 4.43Å; Y410-L413 WeakPolarHBondContact O-CB 3.33Å; Y410-L413 PolarHBondContact O-N 3.19Å; L413-Y415 PolarHBondContact O-N 3.45Å; L413-L416 PolarHBondContact O-N 2.86Å; L413-I417 HydrophobicContact CD1-CD1 4.19Å; L413-I417 HydrophobicContact CD1-CG1 3.75Å; L413-I417 HydrophobicContact CG-CG1 4.25Å; L413-I417 VanDerWaalsContact O-CG1 3.25Å; L413-I417 WeakPolarHBondContact O-CG1 3.46Å; L413-I417 PolarHBondContact O-N 3.36Å; L413-V446 HydrophobicContact CD1-CB 3.97Å; L413-V446 HydrophobicContact CD1-CG1 3.5Å; L413-V446 VanDerWaalsContact CD1-CG1 3.5Å; L413-I447 HydrophobicContact CD1-CG1 4.19Å; L413-I447 HydrophobicContact CD2-CD1 4.3Å; L413-I447 HydrophobicContact CD2-CG1 3.86Å; L413-L450 HydrophobicContact CB-CD1 4.04Å; L413-L450 HydrophobicContact CD1-CD1 4.08Å
414P98.2Very high97.4Very high18 Ų1828.6 Ų28.612%0.11713%0.134CC..Hα-helixtrans-55.8-48.9178.3-18.327.1000112.4Y284 L407 P411 L416 I417 F418Y284-P414 HydrophobicContact CD2-CB 4.4Å; Y284-P414 HydrophobicContact CE2-CB 3.5Å; L407-P414 HydrophobicContact CD2-CG 3.9Å; P411-P414 VanDerWaalsContact O-CD 3.29Å; P411-P414 WeakPolarHBondContact O-CD 3.28Å; P414-L416 PolarHBondContact O-N 3.48Å; P414-I417 PolarHBondContact O-N 2.92Å; P414-I417 VanDerWaalsContact O-N 3.12Å; P414-F418 WeakPolarHBondContact O-CD2 3.33Å; P414-F418 PolarHBondContact O-N 2.9Å
415Y98.4Very high97.3Very high61 Ų6125.7 Ų25.724%0.23912%0.122CC..Hα-helixtrans-56.9-48.4-176.6-61.3-92.6000112.1M281 Y284 P411 V412 L413 V419 L465M281-Y415 HydrophobicContact CB-CE1 4.46Å; M281-Y415 HydrophobicContact CG-CD1 4.27Å; M281-Y415 HydrophobicContact CG-CE1 4.05Å; Y284-Y415 VanDerWaalsContact CB-CD1 3.49Å; Y284-Y415 AromaticContact CD1-CD1 3.61Å; Y284-Y415 HydrophobicContact CD1-CD1 3.61Å; Y284-Y415 AromaticContact CD1-CE1 3.28Å; Y284-Y415 HydrophobicContact CD1-CE1 3.28Å; Y284-Y415 HydrophobicContact CD1-CG 4.42Å; Y284-Y415 AromaticContact CD1-CZ 3.86Å; Y284-Y415 HydrophobicContact CD2-CD1 4.19Å; Y284-Y415 HydrophobicContact CD2-CG 4.4Å; Y284-Y415 HydrophobicContact CE1-CD1 4.39Å; Y284-Y415 AromaticContact CE1-CE1 3.89Å; Y284-Y415 HydrophobicContact CE1-CE1 3.89Å; Y284-Y415 AromaticContact CE1-CZ 3.97Å; Y284-Y415 AromaticContact CG-CD1 3.48Å; Y284-Y415 HydrophobicContact CG-CD1 3.48Å; Y284-Y415 VanDerWaalsContact CG-CD1 3.48Å; Y284-Y415 AromaticContact CG-CE1 3.7Å; Y284-Y415 HydrophobicContact CG-CE1 3.7Å; Y284-Y415 HydrophobicContact CG-CG 4.13Å; P411-Y415 WeakPolarHBondContact O-CE2 3.16Å; V412-Y415 PolarHBondContact O-N 3.38Å; L413-Y415 PolarHBondContact O-N 3.45Å; Y415-V419 WeakPolarHBondContact O-CG2 3.46Å; Y415-V419 PolarHBondContact O-N 3.38Å; Y415-L465 HydrophobicContact CD1-CD1 3.68Å; Y415-L465 HydrophobicContact CD2-CD1 4.22Å; Y415-L465 HydrophobicContact CD2-CD2 4.38Å; Y415-L465 HydrophobicContact CE1-CD1 4.35Å; Y415-L465 HydrophobicContact CG-CD1 3.62Å; Y415-L465 HydrophobicContact CG-CD2 4.19Å
416L98.5Very high97.2Very high0 Ų022.4 Ų22.40%010%0.104CC..Hα-helixtrans-65.5-40.2177.4-62.5178.3000111.6V412 L413 P414 V419 L420 V446 F449 L450 L468 L469V412-L416 PolarHBondContact O-N 3.11Å; L413-L416 PolarHBondContact O-N 2.86Å; P414-L416 PolarHBondContact O-N 3.48Å; L416-V419 PolarHBondContact O-N 3.08Å; L416-L420 HydrophobicContact CB-CD1 4.49Å; L416-L420 WeakPolarHBondContact O-CB 3.12Å; L416-L420 WeakPolarHBondContact O-CD1 3.35Å; L416-L420 VanDerWaalsContact O-CG 3.22Å; L416-L420 WeakPolarHBondContact O-CG 3.48Å; L416-L420 PolarHBondContact O-N 3Å; L416-V446 HydrophobicContact CB-CG1 4.02Å; L416-V446 HydrophobicContact CD1-CG1 4.01Å; L416-F449 HydrophobicContact CD1-CE1 4.5Å; L416-L450 HydrophobicContact CD1-CD1 4.4Å; L416-L450 HydrophobicContact CD1-CD2 3.86Å; L416-L450 HydrophobicContact CD1-CG 4.45Å; L416-L468 HydrophobicContact CD1-CB 4.23Å; L416-L468 HydrophobicContact CD2-CB 4.35Å; L416-L469 HydrophobicContact CD2-CB 4.03Å; L416-L469 HydrophobicContact CD2-CD1 4.38Å
417I98.4Very high97Very high0 Ų023.9 Ų23.90%011%0.11CC..Hα-helixtrans-65.4-42.9179.3-67.8-62.7000112.5L327 L413 P414 L420 K421 L442 I443 V446L327-I417 HydrophobicContact CB-CG2 4.48Å; L327-I417 HydrophobicContact CD1-CG2 4.34Å; L327-I417 HydrophobicContact CD2-CG2 4.49Å; L413-I417 HydrophobicContact CD1-CD1 4.19Å; L413-I417 HydrophobicContact CD1-CG1 3.75Å; L413-I417 HydrophobicContact CG-CG1 4.25Å; L413-I417 VanDerWaalsContact O-CG1 3.25Å; L413-I417 WeakPolarHBondContact O-CG1 3.46Å; L413-I417 PolarHBondContact O-N 3.36Å; P414-I417 PolarHBondContact O-N 2.92Å; P414-I417 VanDerWaalsContact O-N 3.12Å; I417-L420 PolarHBondContact O-N 3.14Å; I417-K421 HydrophobicContact CG2-CD 3.91Å; I417-K421 HydrophobicContact CG2-CG 4.08Å; I417-K421 VanDerWaalsContact O-CB 3.25Å; I417-K421 WeakPolarHBondContact O-CB 3.36Å; I417-K421 VanDerWaalsContact O-CG 3.29Å; I417-K421 WeakPolarHBondContact O-CG 3.38Å; I417-K421 PolarHBondContact O-N 3.38Å; I417-L442 HydrophobicContact CD1-CG 4.38Å; I417-I443 HydrophobicContact CD1-CB 4.12Å; I417-I443 HydrophobicContact CD1-CG1 3.67Å; I417-I443 HydrophobicContact CD1-CG2 4.37Å; I417-I443 HydrophobicContact CG1-CG1 4.26Å; I417-I443 HydrophobicContact CG2-CG1 4.27Å; I417-V446 HydrophobicContact CD1-CB 3.88Å; I417-V446 HydrophobicContact CD1-CG1 4.37Å; I417-V446 HydrophobicContact CD1-CG2 3.66Å
418F98.3Very high96.8Very high1 Ų125.2 Ų25.20%0.00412%0.117CC..Hα-helixtrans-63.4-43.4177.6-88.5-99.6000111.8F283 Y284 M287 P289 L327 Y328 L329 P414 Q422F283-F418 HydrophobicContact CE1-CB 4.33Å; Y284-F418 HydrophobicContact CD2-CB 4.02Å; Y284-F418 AromaticContact CD2-CD2 3.75Å; Y284-F418 HydrophobicContact CD2-CD2 3.75Å; Y284-F418 HydrophobicContact CD2-CE2 4.43Å; Y284-F418 AromaticContact CD2-CG 3.88Å; Y284-F418 HydrophobicContact CD2-CG 3.88Å; Y284-F418 AromaticContact CE2-CD2 3.59Å; Y284-F418 HydrophobicContact CE2-CD2 3.59Å; Y284-F418 AromaticContact CE2-CE2 3.88Å; Y284-F418 HydrophobicContact CE2-CE2 3.88Å; Y284-F418 HydrophobicContact CE2-CG 4.16Å; M287-F418 HydrophobicContact CB-CD1 3.95Å; M287-F418 WeakPolarHBondContact O-CE1 3.16Å; P289-F418 HydrophobicContact CG-CZ 4.46Å; L327-F418 HydrophobicContact CD2-CE2 3.98Å; Y328-F418 VanDerWaalsContact O-CE1 3.24Å; Y328-F418 WeakPolarHBondContact O-CE1 3.39Å; Y328-F418 WeakPolarHBondContact O-CZ 3.47Å; L329-F418 HydrophobicContact CD2-CD1 3.58Å; L329-F418 HydrophobicContact CD2-CE1 4.01Å; L329-F418 HydrophobicContact CD2-CG 4.36Å; P414-F418 WeakPolarHBondContact O-CD2 3.33Å; P414-F418 PolarHBondContact O-N 2.9Å; F418-Q422 WeakPolarHBondContact O-CB 3.5Å; F418-Q422 PolarHBondContact O-N 3.14Å; F418-Q422 VanDerWaalsContact O-N 3.11Å
419V98.4Very high96.7Very high0 Ų018.6 Ų18.60%09%0.089CC..Hα-helixtrans-59.3-53.4175.1167.70000110.7V280 F283 Y415 L416 Q422 F423 L469 L567 I571V280-V419 HydrophobicContact CG1-CG2 3.91Å; V280-V419 HydrophobicContact CG2-CG2 4.22Å; F283-V419 HydrophobicContact CD1-CG2 3.6Å; F283-V419 HydrophobicContact CE1-CB 4.36Å; F283-V419 HydrophobicContact CE1-CG2 3.79Å; Y415-V419 WeakPolarHBondContact O-CG2 3.46Å; Y415-V419 PolarHBondContact O-N 3.38Å; L416-V419 PolarHBondContact O-N 3.08Å; V419-Q422 PolarHBondContact O-N 3.45Å; V419-F423 WeakPolarHBondContact O-CB 3.47Å; V419-F423 PolarHBondContact O-N 2.57Å; V419-L469 HydrophobicContact CG1-CD1 3.57Å; V419-L469 HydrophobicContact CG1-CD2 3.8Å; V419-L469 HydrophobicContact CG1-CG 4.35Å; V419-L567 HydrophobicContact CG1-CD1 4.1Å; V419-L567 HydrophobicContact CG2-CD2 4.43Å; V419-I571 HydrophobicContact CB-CD1 4.3Å; V419-I571 HydrophobicContact CG1-CD1 3.68Å; V419-I571 VanDerWaalsContact O-CD1 3.23Å; V419-I571 WeakPolarHBondContact O-CD1 3.34Å
420L98.5Very high96.5Very high0 Ų016.8 Ų16.80%08%0.083CC..Hα-helixtrans-70.7-35.6-174.3-67.7167.2000112.9L416 I417 F423 L424 L442 V446 L469 F472 F473L416-L420 HydrophobicContact CB-CD1 4.49Å; L416-L420 WeakPolarHBondContact O-CB 3.12Å; L416-L420 WeakPolarHBondContact O-CD1 3.35Å; L416-L420 VanDerWaalsContact O-CG 3.22Å; L416-L420 WeakPolarHBondContact O-CG 3.48Å; L416-L420 PolarHBondContact O-N 3Å; I417-L420 PolarHBondContact O-N 3.14Å; L420-F423 PolarHBondContact O-N 2.76Å; L420-L424 WeakPolarHBondContact O-CG 3.2Å; L420-L424 PolarHBondContact O-N 2.71Å; L420-L424 VanDerWaalsContact O-N 3.08Å; L420-L442 HydrophobicContact CB-CD1 4.08Å; L420-L442 HydrophobicContact CB-CD2 4.04Å; L420-L442 HydrophobicContact CB-CG 4.49Å; L420-L442 HydrophobicContact CD1-CD1 4.48Å; L420-V446 HydrophobicContact CD1-CG2 3.47Å; L420-V446 VanDerWaalsContact CD1-CG2 3.47Å; L420-L469 HydrophobicContact CD2-CD1 4.22Å; L420-L469 HydrophobicContact CG-CD1 4.44Å; L420-F472 HydrophobicContact CD1-CD1 3.74Å; L420-F472 HydrophobicContact CD1-CD2 4.19Å; L420-F472 HydrophobicContact CD1-CE1 3.54Å; L420-F472 HydrophobicContact CD1-CE2 3.98Å; L420-F472 HydrophobicContact CD1-CG 4.09Å; L420-F472 HydrophobicContact CD1-CZ 3.66Å; L420-F472 HydrophobicContact CD2-CD1 3.71Å; L420-F472 HydrophobicContact CD2-CE1 3.53Å; L420-F472 HydrophobicContact CD2-CZ 4.39Å; L420-F472 HydrophobicContact CG-CD1 4.39Å; L420-F472 HydrophobicContact CG-CE1 4.18Å; L420-F473 HydrophobicContact CD2-CD1 4.27Å; L420-F473 HydrophobicContact CD2-CE1 3.42Å; L420-F473 VanDerWaalsContact CD2-CE1 3.42Å; L420-F473 HydrophobicContact CD2-CE2 4.4Å; L420-F473 HydrophobicContact CD2-CZ 3.51Å
421K97.4Very high96.2Very high13 Ų1319.4 Ų19.46%0.05710%0.096CC..Hα-helixtrans-62.3-48.8172.2-77.5-170.9175.2-161.90111.4L327 L329 I417 F423 L424 L425 S439 L442L327-K421 PolarHBondContact O-NZ 3.31Å; L329-K421 HydrophobicContact CD1-CB 3.8Å; L329-K421 HydrophobicContact CD2-CB 4.41Å; L329-K421 HydrophobicContact CG-CB 4.2Å; I417-K421 HydrophobicContact CG2-CD 3.91Å; I417-K421 HydrophobicContact CG2-CG 4.08Å; I417-K421 VanDerWaalsContact O-CB 3.25Å; I417-K421 WeakPolarHBondContact O-CB 3.36Å; I417-K421 VanDerWaalsContact O-CG 3.29Å; I417-K421 WeakPolarHBondContact O-CG 3.38Å; I417-K421 PolarHBondContact O-N 3.38Å; K421-F423 VanDerWaalsContact C-N 3.32Å; K421-F423 PolarHBondContact O-N 2.99Å; K421-L424 PolarHBondContact O-N 3.38Å; K421-L425 WeakPolarHBondContact O-CB 3.48Å; K421-L425 PolarHBondContact O-N 3.42Å; K421-S439 WeakPolarHBondContact CE-OG 3.25Å; K421-S439 PolarHBondContact NZ-OG 2.87Å; K421-L442 HydrophobicContact CB-CD2 4.47Å; K421-L442 HydrophobicContact CG-CD2 3.66Å
422Q97.1Very high95.8Very high1 Ų118.8 Ų18.81%0.0059%0.091CC..Hα-helixtrans-64.2-40.9179.3178.359.232.300111.1F283 L329 F418 V419 L424 L425 Q426 I571 R572 L573F283-Q422 HydrophobicContact CE2-CG 4.31Å; F283-Q422 HydrophobicContact CZ-CB 3.75Å; F283-Q422 HydrophobicContact CZ-CG 3.91Å; L329-Q422 HydrophobicContact CD1-CB 4.22Å; F418-Q422 WeakPolarHBondContact O-CB 3.5Å; F418-Q422 PolarHBondContact O-N 3.14Å; F418-Q422 VanDerWaalsContact O-N 3.11Å; V419-Q422 PolarHBondContact O-N 3.45Å; Q422-L424 VanDerWaalsContact C-N 3.33Å; Q422-L424 PolarHBondContact O-N 2.97Å; Q422-L425 PolarHBondContact O-N 3.02Å; Q422-Q426 WeakPolarHBondContact O-CG 3.23Å; Q422-Q426 PolarHBondContact O-N 2.8Å; Q422-I571 HydrophobicContact CG-CG2 3.71Å; Q422-R572 PolarHBondContact NE2-O 3.09Å; Q422-L573 HydrophobicContact CG-CD2 4.25Å
423F97.1Very high95.2Very high0 Ų024.8 Ų24.80%012%0.117CC..Hα-helixtrans-58.5-39.8177.8173.4-94.3000113.2V419 L420 K421 R427 F473 V539 F540 A543 I570 I571V419-F423 WeakPolarHBondContact O-CB 3.47Å; V419-F423 PolarHBondContact O-N 2.57Å; L420-F423 PolarHBondContact O-N 2.76Å; K421-F423 VanDerWaalsContact C-N 3.32Å; K421-F423 PolarHBondContact O-N 2.99Å; F423-R427 VanDerWaalsContact CE2-CZ 3.4Å; F423-R427 WeakPolarHBondContact O-CD 3.47Å; F423-R427 PolarHBondContact O-NH1 3.42Å; F423-F473 HydrophobicContact CD1-CE1 4.04Å; F423-F473 HydrophobicContact CD1-CZ 4.25Å; F423-F473 HydrophobicContact CD2-CZ 4.28Å; F423-F473 AromaticContact CE1-CE1 3.84Å; F423-F473 HydrophobicContact CE1-CE1 3.84Å; F423-F473 HydrophobicContact CE1-CZ 4.32Å; F423-F473 HydrophobicContact CE2-CZ 4.36Å; F423-F473 HydrophobicContact CG-CE1 4.49Å; F423-F473 HydrophobicContact CG-CZ 4.23Å; F423-F473 HydrophobicContact CZ-CE1 4.12Å; F423-F473 HydrophobicContact CZ-CZ 4.38Å; F423-V539 HydrophobicContact CE1-CG1 3.63Å; F423-V539 HydrophobicContact CZ-CG1 3.47Å; F423-V539 VanDerWaalsContact CZ-CG1 3.47Å; F423-F540 HydrophobicContact CD1-CD1 4.49Å; F423-F540 HydrophobicContact CD1-CE1 4.27Å; F423-F540 AromaticContact CE1-CD1 3.75Å; F423-F540 HydrophobicContact CE1-CD1 3.75Å; F423-F540 AromaticContact CE1-CE1 3.91Å; F423-F540 HydrophobicContact CE1-CE1 3.91Å; F423-A543 HydrophobicContact CE2-CB 3.69Å; F423-A543 HydrophobicContact CZ-CB 3.61Å; F423-I570 HydrophobicContact CD2-CB 4.08Å; F423-I570 HydrophobicContact CD2-CD1 4.05Å; F423-I570 HydrophobicContact CD2-CG1 4.41Å; F423-I570 HydrophobicContact CE2-CB 3.97Å; F423-I570 HydrophobicContact CE2-CD1 4.31Å; F423-I571 HydrophobicContact CB-CD1 4Å; F423-I571 HydrophobicContact CB-CG1 3.9Å; F423-I571 HydrophobicContact CD2-CG1 4.24Å
424L96.6Very high94.7Very high2 Ų228.1 Ų28.11%0.0114%0.137CC..Hα-helixtrans-79.4-41.6175-67.6174000112.4L420 K421 Q422 Q426 R427 D428 L429 I437 L442 F536 F540L420-L424 WeakPolarHBondContact O-CG 3.2Å; L420-L424 PolarHBondContact O-N 2.71Å; L420-L424 VanDerWaalsContact O-N 3.08Å; K421-L424 PolarHBondContact O-N 3.38Å; Q422-L424 VanDerWaalsContact C-N 3.33Å; Q422-L424 PolarHBondContact O-N 2.97Å; L424-Q426 PolarHBondContact O-N 2.66Å; L424-R427 CarbonylContact O-C 3.32Å; L424-R427 PolarHBondContact O-N 3.35Å; L424-R427 VanDerWaalsContact O-N 3.11Å; L424-D428 PolarHBondContact O-N 3.24Å; L424-L429 HydrophobicContact CB-CB 4.29Å; L424-L429 HydrophobicContact CD2-CB 3.86Å; L424-L429 HydrophobicContact CD2-CD1 4.28Å; L424-L429 PolarHBondContact O-N 3.11Å; L424-I437 HydrophobicContact CD1-CB 4.08Å; L424-I437 HydrophobicContact CD1-CG2 3.44Å; L424-I437 VanDerWaalsContact CD1-CG2 3.44Å; L424-L442 HydrophobicContact CD1-CD1 4.18Å; L424-L442 HydrophobicContact CD1-CD2 4.25Å; L424-F536 HydrophobicContact CD2-CB 4.41Å; L424-F540 HydrophobicContact CD2-CE1 3.97Å; L424-F540 HydrophobicContact CD2-CZ 4.26Å
425L95.1Very high94.2Very high19 Ų1927.4 Ų27.410%0.09913%0.133CC..Hα-helixtrans-58.5-44.6179.417563.5000112N238 A240 L329 K421 Q422 R427 D428 N430N238-L425 PolarHBondContact ND2-O 3.4Å; A240-L425 HydrophobicContact CB-CD2 3.88Å; A240-L425 HydrophobicContact CB-CG 3.98Å; L329-L425 HydrophobicContact CD1-CB 4.43Å; L329-L425 HydrophobicContact CD1-CD2 3.66Å; K421-L425 WeakPolarHBondContact O-CB 3.48Å; K421-L425 PolarHBondContact O-N 3.42Å; Q422-L425 PolarHBondContact O-N 3.02Å; L425-R427 PolarHBondContact O-N 3.02Å; L425-D428 PolarHBondContact O-N 2.82Å; L425-D428 VanDerWaalsContact O-N 3.13Å; L425-N430 WeakPolarHBondContact CA-OD1 3.29Å; L425-N430 WeakPolarHBondContact CD1-OD1 3.25Å
426Q93.5Very high94Very high6 Ų624.6 Ų24.63%0.02812%0.123CC..THydrogen-bonded Turntrans-71.1-0.1-179.175.6174.775.600114.8A240 T242 Q422 L424 R572A240-Q426 VanDerWaalsContact O-CA 3.32Å; A240-Q426 WeakPolarHBondContact O-CA 3.4Å; A240-Q426 VanDerWaalsContact O-CB 3.29Å; A240-Q426 WeakPolarHBondContact O-CB 3.33Å; T242-Q426 HydrophobicContact CG2-CB 3.92Å; T242-Q426 HydrophobicContact CG2-CG 4.43Å; T242-Q426 PolarHBondContact N-O 3.13Å; T242-Q426 PolarHBondContact OG1-NE2 2.97Å; T242-Q426 PolarHBondContact OG1-O 3.05Å; Q422-Q426 WeakPolarHBondContact O-CG 3.23Å; Q422-Q426 PolarHBondContact O-N 2.8Å; L424-Q426 PolarHBondContact O-N 2.66Å; Q426-R572 PolarHBondContact OE1-O 3.13Å
427R92.6Very high93.8Very high61 Ų6124.7 Ų24.723%0.2312%0.123CC..THydrogen-bonded Turntrans-120.94.3178.8-64.3176.417269.34.4112.2F423 L424 L425 L429 I570F423-R427 VanDerWaalsContact CE2-CZ 3.4Å; F423-R427 WeakPolarHBondContact O-CD 3.47Å; F423-R427 PolarHBondContact O-NH1 3.42Å; L424-R427 CarbonylContact O-C 3.32Å; L424-R427 PolarHBondContact O-N 3.35Å; L424-R427 VanDerWaalsContact O-N 3.11Å; L425-R427 PolarHBondContact O-N 3.02Å; R427-L429 HydrophobicContact CB-CD1 4.12Å; R427-L429 HydrophobicContact CB-CG 3.91Å; R427-L429 WeakPolarHBondContact O-CG 3.32Å; R427-L429 PolarHBondContact O-N 3.35Å; R427-I570 PolarHBondContact NH1-O 3.06Å; R427-I570 PolarHBondContact NH2-O 3.23Å
428D93.1Very high93.6Very high60 Ų6025.9 Ų25.932%0.32113%0.131SC..THydrogen-bonded Turntrans61.528.4-178.2-53-80.3000113.3N238 S241 L424 L425N238-D428 WeakPolarHBondContact CB-OD1 3.46Å; N238-D428 PolarHBondContact ND2-OD1 2.9Å; S241-D428 VanDerWaalsContact CB-OD2 3.31Å; S241-D428 WeakPolarHBondContact CB-OD2 3.22Å; S241-D428 PolarHBondContact OG-OD2 2.81Å; L424-D428 PolarHBondContact O-N 3.24Å; L425-D428 PolarHBondContact O-N 2.82Å; L425-D428 VanDerWaalsContact O-N 3.13Å
429L94.1Very high93.4Very high18 Ų1828.5 Ų28.59%0.09415%0.15CC..  trans-103.59.7-178.8-57.9-174.9000114L424 R427 G436 I437 F536 V539L424-L429 HydrophobicContact CB-CB 4.29Å; L424-L429 HydrophobicContact CD2-CB 3.86Å; L424-L429 HydrophobicContact CD2-CD1 4.28Å; L424-L429 PolarHBondContact O-N 3.11Å; R427-L429 HydrophobicContact CB-CD1 4.12Å; R427-L429 HydrophobicContact CB-CG 3.91Å; R427-L429 WeakPolarHBondContact O-CG 3.32Å; R427-L429 PolarHBondContact O-N 3.35Å; L429-G436 WeakPolarHBondContact O-CA 3.24Å; L429-I437 PolarHBondContact O-N 3.19Å; L429-F536 HydrophobicContact CD1-CB 4.42Å; L429-V539 HydrophobicContact CD1-CB 4.34Å; L429-V539 HydrophobicContact CD1-CG1 4.21Å; L429-V539 HydrophobicContact CD1-CG2 4.08Å
430N92.9Very high93.2Very high38 Ų3830.8 Ų30.820%0.20316%0.159CC..SBendtrans-90.4-3.417769-81000113.6L425 I437L425-N430 WeakPolarHBondContact CA-OD1 3.29Å; L425-N430 WeakPolarHBondContact CD1-OD1 3.25Å; N430-I437 CarbonylContact C-O 3.5Å; N430-I437 WeakPolarHBondContact CA-O 3.19Å; N430-I437 VanDerWaalsContact O-O 3.11Å
431E90.1Very high93.1Very high63 Ų6330.8 Ų30.829%0.29416%0.159SC..  trans-102.4134.4-174.5-69.9-55.2144.600111.5F433 T434 G436E431-F433 HydrophobicContact CB-CD1 3.89Å; E431-F433 HydrophobicContact CB-CE1 3.65Å; E431-F433 HydrophobicContact CB-CZ 4.41Å; E431-F433 HydrophobicContact CG-CD1 4.37Å; E431-F433 HydrophobicContact CG-CE1 3.71Å; E431-F433 HydrophobicContact CG-CZ 4.44Å; E431-T434 PolarHBondContact O-OG1 3.11Å; E431-G436 CarbonylContact O-C 3.55Å; E431-G436 WeakPolarHBondContact O-CA 3.49Å; E431-G436 PolarHBondContact O-N 3.24Å
432V88.8Confident93.1Very high31 Ų3130.3 Ų30.319%0.18816%0.157CC..THydrogen-bonded Turntrans-79.2-34.6-176.7-176.10000111.5T434 G435 S438V432-T434 PolarHBondContact O-N 2.96Å; V432-G435 PolarHBondContact O-N 3.17Å; V432-S438 VanDerWaalsContact CG2-CB 3.4Å
433F84.1Confident93.2Very high129 Ų12930.7 Ų30.757%0.56616%0.159SC*.THydrogen-bonded Turntrans-69-13.1-178.476.3-90.9000113.9E431 Y531E431-F433 HydrophobicContact CB-CD1 3.89Å; E431-F433 HydrophobicContact CB-CE1 3.65Å; E431-F433 HydrophobicContact CB-CZ 4.41Å; E431-F433 HydrophobicContact CG-CD1 4.37Å; E431-F433 HydrophobicContact CG-CE1 3.71Å; E431-F433 HydrophobicContact CG-CZ 4.44Å; F433-Y531 PolarHBondContact O-OH 3.36Å
434T86.9Confident93.2Very high70 Ų7030.7 Ų30.743%0.42916%0.159SC..THydrogen-bonded Turntrans-99.62.2170.859.80000112.9E431 V432 Y531E431-T434 PolarHBondContact O-OG1 3.11Å; V432-T434 PolarHBondContact O-N 2.96Å; T434-Y531 PolarHBondContact O-OH 2.84Å
435G89Confident93.3Very high2 Ų230.6 Ų30.62%0.02116%0.159CC..THydrogen-bonded Turntrans85.58.8-176.400000114.7V432 S530 Y531 G532V432-G435 PolarHBondContact O-N 3.17Å; G435-S530 CarbonylContact O-C 3.46Å; G435-Y531 VanDerWaalsContact CA-CZ 3.43Å; G435-Y531 VanDerWaalsContact N-CZ 3.32Å; G435-Y531 PolarHBondContact N-OH 3.39Å; G435-G532 VanDerWaalsContact O-CA 3.22Å; G435-G532 WeakPolarHBondContact O-CA 3.42Å; G435-G532 PolarHBondContact O-N 2.79Å
436G93.5Very high93.5Very high3 Ų329.7 Ų29.73%0.03115%0.154CC..  trans-71.7-171.9175.200000114L429 E431 S530L429-G436 WeakPolarHBondContact O-CA 3.24Å; E431-G436 CarbonylContact O-C 3.55Å; E431-G436 WeakPolarHBondContact O-CA 3.49Å; E431-G436 PolarHBondContact O-N 3.24Å; G436-S530 WeakPolarHBondContact O-CA 3.42Å; G436-S530 VanDerWaalsContact O-CB 3.3Å; G436-S530 WeakPolarHBondContact O-CB 3.46Å; G436-S530 PolarHBondContact O-OG 3.01Å
437I94.9Very high93.7Very high2 Ų229.4 Ų29.41%0.0115%0.152CC..  trans-92.3130.4-178.3-113.4162.8000110.3L424 L429 N430 L442 M445 L514 F536 F540L424-I437 HydrophobicContact CD1-CB 4.08Å; L424-I437 HydrophobicContact CD1-CG2 3.44Å; L424-I437 VanDerWaalsContact CD1-CG2 3.44Å; L429-I437 PolarHBondContact O-N 3.19Å; N430-I437 CarbonylContact C-O 3.5Å; N430-I437 WeakPolarHBondContact CA-O 3.19Å; N430-I437 VanDerWaalsContact O-O 3.11Å; I437-L442 HydrophobicContact CG2-CB 3.69Å; I437-L442 HydrophobicContact CG2-CD1 4.32Å; I437-L442 HydrophobicContact CG2-CG 4.44Å; I437-M445 HydrophobicContact CD1-CE 4.22Å; I437-M445 HydrophobicContact CD1-SD 3.55Å; I437-M445 VanDerWaalsContact CD1-SD 3.55Å; I437-M445 HydrophobicContact CG1-SD 4.37Å; I437-L514 HydrophobicContact CD1-CD2 3.99Å; I437-L514 HydrophobicContact CG1-CD2 3.82Å; I437-F536 HydrophobicContact CB-CD1 4.29Å; I437-F536 HydrophobicContact CB-CE1 4.07Å; I437-F536 HydrophobicContact CD1-CD1 3.98Å; I437-F536 HydrophobicContact CD1-CD2 3.74Å; I437-F536 HydrophobicContact CD1-CE1 3.68Å; I437-F536 HydrophobicContact CD1-CE2 3.45Å; I437-F536 VanDerWaalsContact CD1-CE2 3.45Å; I437-F536 HydrophobicContact CD1-CG 4Å; I437-F536 HydrophobicContact CD1-CZ 3.41Å; I437-F536 VanDerWaalsContact CD1-CZ 3.41Å; I437-F536 HydrophobicContact CG1-CD1 4.05Å; I437-F536 HydrophobicContact CG1-CE1 3.48Å; I437-F536 VanDerWaalsContact CG1-CE1 3.48Å; I437-F536 HydrophobicContact CG1-CE2 4.13Å; I437-F536 HydrophobicContact CG1-CZ 3.53Å; I437-F540 HydrophobicContact CD1-CE2 4.36Å; I437-F540 HydrophobicContact CD1-CZ 4.24Å
438S93.7Very high94Very high24 Ų2426.5 Ų26.517%0.16814%0.142CC..  trans-71.3150.1171.994.60000111V432 Y440 S441 L442V432-S438 VanDerWaalsContact CG2-CB 3.4Å; S438-Y440 PolarHBondContact O-N 2.62Å; S438-Y440 VanDerWaalsContact O-N 3.15Å; S438-Y440 PolarHBondContact OG-N 2.61Å; S438-S441 WeakPolarHBondContact CB-OG 3.5Å; S438-S441 PolarHBondContact O-N 3.24Å; S438-S441 WeakPolarHBondContact OG-CB 3.38Å; S438-S441 PolarHBondContact OG-N 2.99Å; S438-S441 PolarHBondContact OG-OG 3.47Å; S438-L442 PolarHBondContact O-N 2.65Å
439S93.8Very high94.2Very high57 Ų5723.9 Ų23.940%0.39913%0.128SC..Hα-helixtrans-55.4-31.6174.7-93.80000113.2K421 I443K421-S439 WeakPolarHBondContact CE-OG 3.25Å; K421-S439 PolarHBondContact NZ-OG 2.87Å; S439-I443 VanDerWaalsContact O-CD1 3.23Å; S439-I443 WeakPolarHBondContact O-CD1 3.42Å; S439-I443 WeakPolarHBondContact O-CG1 3.41Å; S439-I443 PolarHBondContact O-N 3.17Å
440Y94.8Very high94.4Very high47 Ų4723.3 Ų23.318%0.18412%0.124CC..Hα-helixtrans-76.6-45.8177.5-173.3-136.8000111.3A399 I403 S438 L442 I443 L444 P519 V526A399-Y440 HydrophobicContact CB-CE2 4.41Å; I403-Y440 HydrophobicContact CD1-CD2 4.37Å; I403-Y440 HydrophobicContact CD1-CE2 4.04Å; I403-Y440 HydrophobicContact CG1-CD2 4.44Å; I403-Y440 HydrophobicContact CG1-CE2 4.24Å; S438-Y440 PolarHBondContact O-N 2.62Å; S438-Y440 VanDerWaalsContact O-N 3.15Å; S438-Y440 PolarHBondContact OG-N 2.61Å; Y440-L442 VanDerWaalsContact C-N 3.27Å; Y440-L442 PolarHBondContact O-N 3.45Å; Y440-I443 PolarHBondContact O-N 3.42Å; Y440-L444 HydrophobicContact CD1-CD1 4.37Å; Y440-L444 HydrophobicContact CD2-CD2 4.43Å; Y440-L444 HydrophobicContact CD2-CG 4.3Å; Y440-L444 HydrophobicContact CE1-CD1 3.99Å; Y440-L444 HydrophobicContact CE2-CD1 4.27Å; Y440-L444 HydrophobicContact CE2-CD2 3.83Å; Y440-L444 HydrophobicContact CE2-CG 4.08Å; Y440-L444 WeakPolarHBondContact O-CG 3.28Å; Y440-L444 PolarHBondContact O-N 3Å; Y440-P519 WeakPolarHBondContact OH-CG 3.38Å; Y440-V526 HydrophobicContact CD1-CG1 3.46Å; Y440-V526 VanDerWaalsContact CD1-CG1 3.46Å; Y440-V526 HydrophobicContact CE1-CG1 3.95Å; Y440-V526 HydrophobicContact CE1-CG2 4.21Å; Y440-V526 HydrophobicContact CG-CG1 4.3Å
441S96.5Very high94.6Very high1 Ų122.7 Ų22.71%0.00712%0.12CC..Hα-helixtrans-54.7-43.5175.3-43.50000111.3S438 I443 L444 M445 V526S438-S441 WeakPolarHBondContact CB-OG 3.5Å; S438-S441 PolarHBondContact O-N 3.24Å; S438-S441 WeakPolarHBondContact OG-CB 3.38Å; S438-S441 PolarHBondContact OG-N 2.99Å; S438-S441 PolarHBondContact OG-OG 3.47Å; S441-I443 PolarHBondContact O-N 3.08Å; S441-L444 PolarHBondContact O-N 3.46Å; S441-M445 WeakPolarHBondContact O-CG 3.38Å; S441-M445 PolarHBondContact O-N 3.26Å; S441-V526 PolarHBondContact OG-O 3.35Å; S441-V526 VanDerWaalsContact OG-O 3.07Å
442L98Very high94.9Very high3 Ų322.6 Ų22.62%0.01612%0.121CC..Hα-helixtrans-59.8-46.2175.3-17762.3000112.4I417 L420 K421 L424 I437 S438 Y440 L444 M445 V446 F472I417-L442 HydrophobicContact CD1-CG 4.38Å; L420-L442 HydrophobicContact CB-CD1 4.08Å; L420-L442 HydrophobicContact CB-CD2 4.04Å; L420-L442 HydrophobicContact CB-CG 4.49Å; L420-L442 HydrophobicContact CD1-CD1 4.48Å; K421-L442 HydrophobicContact CB-CD2 4.47Å; K421-L442 HydrophobicContact CG-CD2 3.66Å; L424-L442 HydrophobicContact CD1-CD1 4.18Å; L424-L442 HydrophobicContact CD1-CD2 4.25Å; I437-L442 HydrophobicContact CG2-CB 3.69Å; I437-L442 HydrophobicContact CG2-CD1 4.32Å; I437-L442 HydrophobicContact CG2-CG 4.44Å; S438-L442 PolarHBondContact O-N 2.65Å; Y440-L442 VanDerWaalsContact C-N 3.27Å; Y440-L442 PolarHBondContact O-N 3.45Å; L442-L444 VanDerWaalsContact C-N 3.34Å; L442-L444 PolarHBondContact O-N 3.41Å; L442-M445 PolarHBondContact O-N 2.83Å; L442-V446 WeakPolarHBondContact O-CG2 3.28Å; L442-V446 PolarHBondContact O-N 3.4Å; L442-F472 HydrophobicContact CD1-CZ 4.41Å
443I97.9Very high95.3Very high8 Ų822.2 Ų22.24%0.04112%0.118CC..Hα-helixtrans-65.5-40-178.7-61.4158.9000110.5L327 I403 I417 S439 Y440 S441 V446 I447L327-I443 HydrophobicContact CD1-CD1 3.91Å; L327-I443 HydrophobicContact CD1-CG1 4.47Å; I403-I443 HydrophobicContact CD1-CB 4.27Å; I403-I443 HydrophobicContact CD1-CG2 3.45Å; I403-I443 VanDerWaalsContact CD1-CG2 3.45Å; I403-I443 HydrophobicContact CG1-CG2 4.29Å; I403-I443 HydrophobicContact CG2-CD1 4.49Å; I403-I443 HydrophobicContact CG2-CG2 4.27Å; I417-I443 HydrophobicContact CD1-CB 4.12Å; I417-I443 HydrophobicContact CD1-CG1 3.67Å; I417-I443 HydrophobicContact CD1-CG2 4.37Å; I417-I443 HydrophobicContact CG1-CG1 4.26Å; I417-I443 HydrophobicContact CG2-CG1 4.27Å; S439-I443 VanDerWaalsContact O-CD1 3.23Å; S439-I443 WeakPolarHBondContact O-CD1 3.42Å; S439-I443 WeakPolarHBondContact O-CG1 3.41Å; S439-I443 PolarHBondContact O-N 3.17Å; Y440-I443 PolarHBondContact O-N 3.42Å; S441-I443 PolarHBondContact O-N 3.08Å; I443-V446 PolarHBondContact O-N 3.11Å; I443-I447 HydrophobicContact CG2-CD1 3.75Å; I443-I447 HydrophobicContact CG2-CG1 4.31Å; I443-I447 WeakPolarHBondContact O-CB 3.18Å; I443-I447 VanDerWaalsContact O-CG1 3.25Å; I443-I447 WeakPolarHBondContact O-CG1 3.21Å; I443-I447 PolarHBondContact O-N 3.49Å
444L98.1Very high95.6Very high0 Ų021.6 Ų21.60%013%0.126CC..Hα-helixtrans-64.1-39.4174.1-59.9-174.5000112.1F402 Y440 S441 L442 I447 S448 I489 I516 P519 V526F402-L444 HydrophobicContact CE1-CD2 3.96Å; Y440-L444 HydrophobicContact CD1-CD1 4.37Å; Y440-L444 HydrophobicContact CD2-CD2 4.43Å; Y440-L444 HydrophobicContact CD2-CG 4.3Å; Y440-L444 HydrophobicContact CE1-CD1 3.99Å; Y440-L444 HydrophobicContact CE2-CD1 4.27Å; Y440-L444 HydrophobicContact CE2-CD2 3.83Å; Y440-L444 HydrophobicContact CE2-CG 4.08Å; Y440-L444 WeakPolarHBondContact O-CG 3.28Å; Y440-L444 PolarHBondContact O-N 3Å; S441-L444 PolarHBondContact O-N 3.46Å; L442-L444 VanDerWaalsContact C-N 3.34Å; L442-L444 PolarHBondContact O-N 3.41Å; L444-I447 PolarHBondContact O-N 2.9Å; L444-S448 WeakPolarHBondContact O-CB 3.45Å; L444-S448 PolarHBondContact O-N 3.27Å; L444-I489 HydrophobicContact CB-CD1 4.28Å; L444-I489 HydrophobicContact CB-CG1 4.26Å; L444-I489 HydrophobicContact CD2-CG1 4.27Å; L444-I489 VanDerWaalsContact O-CD1 3.26Å; L444-I489 WeakPolarHBondContact O-CD1 3.37Å; L444-I516 HydrophobicContact CB-CG2 4.04Å; L444-I516 HydrophobicContact CD1-CG2 3.74Å; L444-P519 HydrophobicContact CD2-CG 4.2Å; L444-V526 HydrophobicContact CD1-CB 4.25Å; L444-V526 HydrophobicContact CD1-CG1 4.08Å; L444-V526 HydrophobicContact CD1-CG2 4Å
445M98.4Very high95.7Very high0 Ų027.4 Ų27.40%014%0.14CC..Hα-helixtrans-62.4-42.2174.9-72.8174.370.900113.1I437 S441 L442 F449 F472 Y476 I487 L514 I516 F540I437-M445 HydrophobicContact CD1-CE 4.22Å; I437-M445 HydrophobicContact CD1-SD 3.55Å; I437-M445 VanDerWaalsContact CD1-SD 3.55Å; I437-M445 HydrophobicContact CG1-SD 4.37Å; S441-M445 WeakPolarHBondContact O-CG 3.38Å; S441-M445 PolarHBondContact O-N 3.26Å; L442-M445 PolarHBondContact O-N 2.83Å; M445-F449 WeakPolarHBondContact O-CB 3.34Å; M445-F449 PolarHBondContact O-N 3.26Å; M445-F472 HydrophobicContact CB-CE2 4.45Å; M445-Y476 HydrophobicContact CB-CE2 4.1Å; M445-Y476 HydrophobicContact CE-CD1 3.45Å; M445-Y476 VanDerWaalsContact CE-CD1 3.45Å; M445-Y476 HydrophobicContact CE-CD2 3.94Å; M445-Y476 HydrophobicContact CE-CE1 3.75Å; M445-Y476 HydrophobicContact CE-CE2 4.18Å; M445-Y476 HydrophobicContact CE-CG 3.54Å; M445-Y476 WeakPolarHBondContact O-CE2 3.12Å; M445-Y476 PolarHBondContact O-OH 3.29Å; M445-I487 HydrophobicContact CG-CD1 3.9Å; M445-L514 HydrophobicContact CE-CD1 4.39Å; M445-L514 HydrophobicContact CG-CD1 4.36Å; M445-L514 HydrophobicContact SD-CD1 3.94Å; M445-L514 HydrophobicContact SD-CD2 3.6Å; M445-L514 VanDerWaalsContact SD-CD2 3.6Å; M445-L514 HydrophobicContact SD-CG 4.42Å; M445-I516 HydrophobicContact CG-CD1 3.91Å; M445-F540 HydrophobicContact CE-CE2 4.29Å
446V98.6Very high95.7Very high0 Ų028.5 Ų28.50%015%0.145CC..Hα-helixtrans-70.3-40.4176.5-178.30000110.8L413 L416 I417 L420 L442 I443 S448 F449 L450 F472L413-V446 HydrophobicContact CD1-CB 3.97Å; L413-V446 HydrophobicContact CD1-CG1 3.5Å; L413-V446 VanDerWaalsContact CD1-CG1 3.5Å; L416-V446 HydrophobicContact CB-CG1 4.02Å; L416-V446 HydrophobicContact CD1-CG1 4.01Å; I417-V446 HydrophobicContact CD1-CB 3.88Å; I417-V446 HydrophobicContact CD1-CG1 4.37Å; I417-V446 HydrophobicContact CD1-CG2 3.66Å; L420-V446 HydrophobicContact CD1-CG2 3.47Å; L420-V446 VanDerWaalsContact CD1-CG2 3.47Å; L442-V446 WeakPolarHBondContact O-CG2 3.28Å; L442-V446 PolarHBondContact O-N 3.4Å; I443-V446 PolarHBondContact O-N 3.11Å; V446-S448 VanDerWaalsContact C-N 3.35Å; V446-S448 PolarHBondContact O-N 3.26Å; V446-F449 PolarHBondContact O-N 2.94Å; V446-L450 HydrophobicContact CG1-CD1 4.06Å; V446-L450 HydrophobicContact CG1-CG 4.23Å; V446-L450 WeakPolarHBondContact O-CG 3.44Å; V446-L450 PolarHBondContact O-N 3.26Å; V446-F472 HydrophobicContact CB-CE2 4.31Å; V446-F472 HydrophobicContact CG2-CD2 4.07Å; V446-F472 HydrophobicContact CG2-CE2 3.48Å; V446-F472 VanDerWaalsContact CG2-CE2 3.48Å; V446-F472 HydrophobicContact CG2-CZ 4.04Å
447I98.4Very high95.6Very high0 Ų032.5 Ų32.50%017%0.166CC..Hα-helixtrans-57.4-47.8173.2-73.6167.8000110.7I403 Y406 L413 I443 L444 F449 L450 Q451 I489I403-I447 HydrophobicContact CD1-CD1 3.93Å; Y406-I447 HydrophobicContact CD1-CB 4.28Å; Y406-I447 HydrophobicContact CD1-CD1 3.79Å; Y406-I447 HydrophobicContact CD1-CG1 3.85Å; Y406-I447 HydrophobicContact CD1-CG2 3.42Å; Y406-I447 VanDerWaalsContact CD1-CG2 3.42Å; Y406-I447 HydrophobicContact CD2-CD1 4.39Å; Y406-I447 HydrophobicContact CE1-CG2 3.32Å; Y406-I447 HydrophobicContact CG-CD1 3.69Å; Y406-I447 HydrophobicContact CG-CG1 4.22Å; Y406-I447 HydrophobicContact CG-CG2 4.34Å; L413-I447 HydrophobicContact CD1-CG1 4.19Å; L413-I447 HydrophobicContact CD2-CD1 4.3Å; L413-I447 HydrophobicContact CD2-CG1 3.86Å; I443-I447 HydrophobicContact CG2-CD1 3.75Å; I443-I447 HydrophobicContact CG2-CG1 4.31Å; I443-I447 WeakPolarHBondContact O-CB 3.18Å; I443-I447 VanDerWaalsContact O-CG1 3.25Å; I443-I447 WeakPolarHBondContact O-CG1 3.21Å; I443-I447 PolarHBondContact O-N 3.49Å; L444-I447 PolarHBondContact O-N 2.9Å; I447-F449 VanDerWaalsContact C-N 3.33Å; I447-F449 PolarHBondContact O-N 3.38Å; I447-L450 PolarHBondContact O-N 3.11Å; I447-Q451 HydrophobicContact CG2-CG 4.21Å; I447-Q451 VanDerWaalsContact O-CB 3.22Å; I447-Q451 WeakPolarHBondContact O-CB 3.27Å; I447-Q451 VanDerWaalsContact O-CG 3.3Å; I447-Q451 WeakPolarHBondContact O-CG 3.5Å; I447-Q451 PolarHBondContact O-N 2.9Å; I447-I489 HydrophobicContact CG2-CD1 4.27Å; I447-I489 HydrophobicContact CG2-CG2 3.7Å
448S98.3Very high95.2Very high0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-58.4-42.4176.2-179.20000112.5L444 V446 Q451 L452 I487 Y495L444-S448 WeakPolarHBondContact O-CB 3.45Å; L444-S448 PolarHBondContact O-N 3.27Å; V446-S448 VanDerWaalsContact C-N 3.35Å; V446-S448 PolarHBondContact O-N 3.26Å; S448-Q451 PolarHBondContact O-N 3.41Å; S448-L452 WeakPolarHBondContact O-CB 3.43Å; S448-L452 PolarHBondContact O-N 2.84Å; S448-I487 WeakPolarHBondContact OG-CG2 3.37Å; S448-Y495 WeakPolarHBondContact OG-CE1 3.43Å; S448-Y495 PolarHBondContact OG-OH 2.94Å
449F98.4Very high95.2Very high6 Ų638 Ų383%0.02618%0.183CC..Hα-helixtrans-63.3-45.9177.2165.8-102.8000112L416 M445 V446 I447 Q451 L452 H453 L468 E471 F472 L475 Y476L416-F449 HydrophobicContact CD1-CE1 4.5Å; M445-F449 WeakPolarHBondContact O-CB 3.34Å; M445-F449 PolarHBondContact O-N 3.26Å; V446-F449 PolarHBondContact O-N 2.94Å; I447-F449 VanDerWaalsContact C-N 3.33Å; I447-F449 PolarHBondContact O-N 3.38Å; F449-Q451 VanDerWaalsContact C-N 3.33Å; F449-L452 PolarHBondContact O-N 2.78Å; F449-H453 AromaticContact CE2-CD2 3.47Å; F449-H453 VanDerWaalsContact CE2-CD2 3.47Å; F449-H453 WeakPolarHBondContact CE2-CD2 3.32Å; F449-H453 AromaticContact CE2-NE2 3.88Å; F449-H453 AromaticContact CZ-CD2 3.64Å; F449-H453 AromaticContact CZ-NE2 3.92Å; F449-H453 WeakPolarHBondContact O-CB 3.47Å; F449-H453 PolarHBondContact O-N 3.07Å; F449-L468 HydrophobicContact CE1-CB 4.19Å; F449-L468 HydrophobicContact CE1-CD2 3.89Å; F449-L468 WeakPolarHBondContact CE1-O 3.41Å; F449-L468 HydrophobicContact CZ-CB 4.5Å; F449-L468 HydrophobicContact CZ-CD2 4.02Å; F449-L468 WeakPolarHBondContact CZ-O 3.17Å; F449-E471 HydrophobicContact CE2-CB 3.91Å; F449-E471 HydrophobicContact CZ-CB 3.84Å; F449-F472 HydrophobicContact CB-CD2 4.07Å; F449-F472 HydrophobicContact CD1-CB 4.14Å; F449-F472 HydrophobicContact CD1-CD2 4.03Å; F449-F472 HydrophobicContact CD2-CB 4.43Å; F449-F472 HydrophobicContact CE1-CB 3.99Å; F449-F472 HydrophobicContact CE2-CB 4.29Å; F449-F472 HydrophobicContact CG-CB 4.37Å; F449-F472 AromaticContact CG-CD2 3.98Å; F449-F472 HydrophobicContact CG-CD2 3.98Å; F449-F472 HydrophobicContact CZ-CB 4.08Å; F449-L475 HydrophobicContact CD2-CD2 3.87Å; F449-Y476 HydrophobicContact CB-CE2 4.07Å
450L97.8Very high95.1Very high5 Ų538 Ų383%0.02618%0.178CC..Hα-helixtrans-71.9-25.2177.5-63.3-179.1000113.3Y410 V412 L413 L416 V446 I447 A458 L468Y410-L450 HydrophobicContact CD1-CB 4.16Å; Y410-L450 HydrophobicContact CE1-CB 4.33Å; Y410-L450 HydrophobicContact CG-CD1 4.5Å; V412-L450 HydrophobicContact CG2-CD1 3.91Å; V412-L450 HydrophobicContact CG2-CD2 4Å; L413-L450 HydrophobicContact CB-CD1 4.04Å; L413-L450 HydrophobicContact CD1-CD1 4.08Å; L416-L450 HydrophobicContact CD1-CD1 4.4Å; L416-L450 HydrophobicContact CD1-CD2 3.86Å; L416-L450 HydrophobicContact CD1-CG 4.45Å; V446-L450 HydrophobicContact CG1-CD1 4.06Å; V446-L450 HydrophobicContact CG1-CG 4.23Å; V446-L450 WeakPolarHBondContact O-CG 3.44Å; V446-L450 PolarHBondContact O-N 3.26Å; I447-L450 PolarHBondContact O-N 3.11Å; L450-A458 HydrophobicContact CB-CB 3.73Å; L450-A458 HydrophobicContact CD1-CB 4.35Å; L450-A458 HydrophobicContact CD2-CB 3.69Å; L450-A458 HydrophobicContact CG-CB 4.1Å; L450-L468 HydrophobicContact CD2-CD1 4.34Å; L450-L468 HydrophobicContact CD2-CD2 4.18Å
451Q96.8Very high94.9Very high26 Ų2639.7 Ų39.712%0.12120%0.195CC..Hα-helixtrans-71.4-43.4173.2-90.1179.5-4000112.5Y406 Y410 I447 S448 F449 I489 G492Y406-Q451 PolarHBondContact OH-NE2 2.77Å; Y410-Q451 WeakPolarHBondContact OH-CG 3.27Å; I447-Q451 HydrophobicContact CG2-CG 4.21Å; I447-Q451 VanDerWaalsContact O-CB 3.22Å; I447-Q451 WeakPolarHBondContact O-CB 3.27Å; I447-Q451 VanDerWaalsContact O-CG 3.3Å; I447-Q451 WeakPolarHBondContact O-CG 3.5Å; I447-Q451 PolarHBondContact O-N 2.9Å; S448-Q451 PolarHBondContact O-N 3.41Å; F449-Q451 VanDerWaalsContact C-N 3.33Å; Q451-I489 PolarHBondContact NE2-O 3.29Å; Q451-G492 VanDerWaalsContact CB-O 3.23Å; Q451-G492 WeakPolarHBondContact CB-O 3.19Å; Q451-G492 VanDerWaalsContact CG-O 3.28Å; Q451-G492 WeakPolarHBondContact CG-O 3.29Å
452L96.6Very high94.7Very high60 Ų6045.9 Ų45.931%0.31423%0.228SC..SBendtrans-103.416.4-170.6-64.6170000113.1S448 F449 P454 Y495S448-L452 WeakPolarHBondContact O-CB 3.43Å; S448-L452 PolarHBondContact O-N 2.84Å; F449-L452 PolarHBondContact O-N 2.78Å; L452-P454 WeakPolarHBondContact O-CD 3.23Å; L452-Y495 HydrophobicContact CB-CE2 4.13Å; L452-Y495 HydrophobicContact CD1-CD1 4.09Å; L452-Y495 HydrophobicContact CD1-CD2 3.67Å; L452-Y495 HydrophobicContact CD1-CE1 3.89Å; L452-Y495 HydrophobicContact CD1-CE2 3.43Å; L452-Y495 VanDerWaalsContact CD1-CE2 3.43Å; L452-Y495 HydrophobicContact CD1-CG 3.96Å; L452-Y495 HydrophobicContact CG-CE2 4.41Å
453H96.1Very high94.6Very high24 Ų2448 Ų4811%0.11124%0.238CC..  trans-73.1118.4-176.4-154.8-99.2000111.7F449 R455 I456 E471F449-H453 AromaticContact CE2-CD2 3.47Å; F449-H453 VanDerWaalsContact CE2-CD2 3.47Å; F449-H453 WeakPolarHBondContact CE2-CD2 3.32Å; F449-H453 AromaticContact CE2-NE2 3.88Å; F449-H453 AromaticContact CZ-CD2 3.64Å; F449-H453 AromaticContact CZ-NE2 3.92Å; F449-H453 WeakPolarHBondContact O-CB 3.47Å; F449-H453 PolarHBondContact O-N 3.07Å; H453-R455 PolarHBondContact O-N 3.11Å; H453-R455 VanDerWaalsContact O-N 3.13Å; H453-I456 WeakPolarHBondContact ND1-CB 3.47Å; H453-I456 PolarHBondContact ND1-N 3.42Å; H453-E471 IonicContact CE1-OE1 2.76Å; H453-E471 IonicContact CE1-OE2 3.71Å; H453-E471 PolarHBondContact CE1-OE2 2.62Å; H453-E471 IonicContact NE2-OE1 3.7Å; H453-E471 IonicContact NE2-OE2 3.12Å; H453-E471 PolarHBondContact NE2-OE2 3.15Å; H453-E471 VanDerWaalsContact NE2-OE2 3.17Å
454P91Very high94.5Very high115 Ų11549 Ų4975%0.74724%0.244SC*.SBendtrans-75.2-7.6-167.228.9-35.7000114.7L452L452-P454 WeakPolarHBondContact O-CD 3.23Å
455R89Confident94.5Very high192 Ų19249.2 Ų49.273%0.72525%0.245SC*.SBendtrans-133.3-7.8-170.9-61.4-170.7-66.1-177.9-1.9115.5H453 E471H453-R455 PolarHBondContact O-N 3.11Å; H453-R455 VanDerWaalsContact O-N 3.13Å; R455-E471 IonicContact CZ-OE1 3.46Å; R455-E471 IonicContact NE-OE1 3.41Å; R455-E471 IonicContact NH2-OE1 3.76Å; R455-E471 PolarHBondContact NH2-OE1 3.25Å
456I89.3Confident94.4Very high25 Ų2549.2 Ų49.213%0.12825%0.245CC..  trans-136.6120.2-172-67171.4000108.2H453 A458 Q463 V467 L468H453-I456 WeakPolarHBondContact ND1-CB 3.47Å; H453-I456 PolarHBondContact ND1-N 3.42Å; I456-A458 PolarHBondContact O-N 2.81Å; I456-Q463 HydrophobicContact CG2-CB 3.88Å; I456-Q463 HydrophobicContact CG2-CG 3.59Å; I456-Q463 VanDerWaalsContact CG2-OE1 3.23Å; I456-V467 HydrophobicContact CD1-CG1 4.26Å; I456-L468 HydrophobicContact CB-CD2 4.4Å; I456-L468 HydrophobicContact CD1-CD2 3.7Å; I456-L468 HydrophobicContact CD1-CG 4.09Å; I456-L468 HydrophobicContact CG2-CD2 4.14Å
457D90.4Very high94.3Very high87 Ų8751.1 Ų51.147%0.46526%0.257SS..  trans-80.1100.7163.7-171.50000108.9R459 D460D457-R459 PolarHBondContact O-N 2.92Å; D457-R459 WeakPolarHBondContact OD1-CB 3.49Å; D457-R459 WeakPolarHBondContact OD1-CD 3.28Å; D457-R459 WeakPolarHBondContact OD1-CG 3.31Å; D457-R459 PolarHBondContact OD1-N 2.68Å; D457-R459 VanDerWaalsContact OD1-N 3.13Å; D457-R459 IonicContact OD1-NE 2.96Å; D457-R459 PolarHBondContact OD1-NE 3.08Å; D457-R459 WeakPolarHBondContact OD2-CD 3.43Å; D457-R459 IonicContact OD2-NE 3.21Å; D457-D460 PolarHBondContact O-N 2.93Å; D457-D460 VanDerWaalsContact O-N 3.08Å
458A88.2Confident94.3Very high0 Ų051.1 Ų51.10%026%0.257CS..THydrogen-bonded Turntrans-66.21.6-179.700000114.7Y410 V412 L450 I456 D460Y410-A458 HydrophobicContact CD1-CB 3.65Å; Y410-A458 HydrophobicContact CE1-CB 4.1Å; V412-A458 HydrophobicContact CG2-CB 3.89Å; L450-A458 HydrophobicContact CB-CB 3.73Å; L450-A458 HydrophobicContact CD1-CB 4.35Å; L450-A458 HydrophobicContact CD2-CB 3.69Å; L450-A458 HydrophobicContact CG-CB 4.1Å; I456-A458 PolarHBondContact O-N 2.81Å; A458-D460 VanDerWaalsContact C-N 3.33Å
459R92.1Very high94.3Very high143 Ų14351.1 Ų51.154%0.5426%0.257SS..THydrogen-bonded Turntrans-72.3-26.7167.3-61.6169.9-153.3-165.14.6112.4K409 Y410 P411 D457K409-R459 WeakPolarHBondContact O-CG 3.46Å; Y410-R459 HydrophobicContact CD1-CG 4.42Å; Y410-R459 HydrophobicContact CE1-CG 4.22Å; P411-R459 VanDerWaalsContact CD-O 3.28Å; P411-R459 WeakPolarHBondContact CD-O 3.49Å; D457-R459 PolarHBondContact O-N 2.92Å; D457-R459 WeakPolarHBondContact OD1-CB 3.49Å; D457-R459 WeakPolarHBondContact OD1-CD 3.28Å; D457-R459 WeakPolarHBondContact OD1-CG 3.31Å; D457-R459 PolarHBondContact OD1-N 2.68Å; D457-R459 VanDerWaalsContact OD1-N 3.13Å; D457-R459 IonicContact OD1-NE 2.96Å; D457-R459 PolarHBondContact OD1-NE 3.08Å; D457-R459 WeakPolarHBondContact OD2-CD 3.43Å; D457-R459 IonicContact OD2-NE 3.21Å
460D92.4Very high94.3Very high55 Ų5551.6 Ų51.629%0.29426%0.259SS..SBendtrans-74124.1174.9170.325.5000110.3D457 A458 N462 Q463D457-D460 PolarHBondContact O-N 2.93Å; D457-D460 VanDerWaalsContact O-N 3.08Å; A458-D460 VanDerWaalsContact C-N 3.33Å; D460-N462 PolarHBondContact O-N 2.99Å; D460-N462 WeakPolarHBondContact OD1-CB 3.49Å; D460-N462 PolarHBondContact OD1-N 2.78Å; D460-N462 PolarHBondContact OD1-ND2 2.94Å; D460-Q463 HydrophobicContact CB-CG 3.88Å; D460-Q463 WeakPolarHBondContact O-CG 3.35Å; D460-Q463 PolarHBondContact OD2-NE2 3.06Å
461P90.6Very high94.3Very high83 Ų8352.8 Ų52.854%0.53927%0.265SS..THydrogen-bonded Turntrans-67.4-18.2177.428-35.9000114.1P411 Q463P411-P461 HydrophobicContact CB-CB 3.87Å; P411-P461 HydrophobicContact CG-CB 4.22Å; P461-Q463 PolarHBondContact O-N 3.48Å
462N92Very high94.4Very high131 Ų13151.6 Ų51.670%0.70126%0.259SS*.THydrogen-bonded Turntrans-82.96.2-174.6-56.4-78.5000113.8D460D460-N462 PolarHBondContact O-N 2.99Å; D460-N462 WeakPolarHBondContact OD1-CB 3.49Å; D460-N462 PolarHBondContact OD1-N 2.78Å; D460-N462 PolarHBondContact OD1-ND2 2.94Å
463Q95.5Very high94.5Very high47 Ų4748.7 Ų48.722%0.2224%0.244CC..SBendtrans-76.1142.7-172.2-67.1-62.7-32.300113.3V412 I456 D460 P461 L465 L468V412-Q463 HydrophobicContact CG1-CB 4.18Å; I456-Q463 HydrophobicContact CG2-CB 3.88Å; I456-Q463 HydrophobicContact CG2-CG 3.59Å; I456-Q463 VanDerWaalsContact CG2-OE1 3.23Å; D460-Q463 HydrophobicContact CB-CG 3.88Å; D460-Q463 WeakPolarHBondContact O-CG 3.35Å; D460-Q463 PolarHBondContact OD2-NE2 3.06Å; P461-Q463 PolarHBondContact O-N 3.48Å; Q463-L465 PolarHBondContact O-N 3.25Å; Q463-L468 HydrophobicContact CB-CD1 4.22Å
464N96.4Very high94.6Very high30 Ų3050.2 Ų50.216%0.1625%0.251CS..  trans-73.399.2-169.7-170-65.3000112G466 V467 L468N464-G466 PolarHBondContact O-N 3.46Å; N464-G466 VanDerWaalsContact O-N 3.15Å; N464-G466 WeakPolarHBondContact OD1-CA 3.29Å; N464-G466 PolarHBondContact OD1-N 3.45Å; N464-V467 HydrophobicContact CB-CB 4.14Å; N464-V467 HydrophobicContact CB-CG2 4.12Å; N464-V467 PolarHBondContact O-N 2.95Å; N464-V467 VanDerWaalsContact O-N 3.12Å; N464-V467 PolarHBondContact OD1-N 2.95Å; N464-L468 PolarHBondContact O-N 3.34Å
465L97.6Very high95Very high4 Ų446.5 Ų46.52%0.02122%0.224CC..Hα-helixtrans-54.9-30.1177.8-60.4170.6000114H277 V280 M281 V412 Y415 Q463 L469H277-L465 WeakPolarHBondContact ND1-CB 3.11Å; H277-L465 PolarHBondContact ND1-N 2.96Å; V280-L465 HydrophobicContact CB-CB 4.4Å; V280-L465 HydrophobicContact CG1-CB 3.98Å; V280-L465 HydrophobicContact CG1-CD1 4.05Å; M281-L465 HydrophobicContact CG-CD1 3.66Å; V412-L465 HydrophobicContact CB-CD2 3.6Å; V412-L465 HydrophobicContact CG1-CD2 3.74Å; Y415-L465 HydrophobicContact CD1-CD1 3.68Å; Y415-L465 HydrophobicContact CD2-CD1 4.22Å; Y415-L465 HydrophobicContact CD2-CD2 4.38Å; Y415-L465 HydrophobicContact CE1-CD1 4.35Å; Y415-L465 HydrophobicContact CG-CD1 3.62Å; Y415-L465 HydrophobicContact CG-CD2 4.19Å; Q463-L465 PolarHBondContact O-N 3.25Å; L465-L469 WeakPolarHBondContact O-CB 3.17Å; L465-L469 PolarHBondContact O-N 3.05Å
466G96.8Very high95.4Very high0 Ų037.3 Ų37.30%019%0.19CC..Hα-helixtrans-72.5-38.5178.400000112.9N464 I470N464-G466 PolarHBondContact O-N 3.46Å; N464-G466 VanDerWaalsContact O-N 3.15Å; N464-G466 WeakPolarHBondContact OD1-CA 3.29Å; N464-G466 PolarHBondContact OD1-N 3.45Å; G466-I470 WeakPolarHBondContact O-CG1 3.41Å; G466-I470 PolarHBondContact O-N 3.39Å
467V96.8Very high95.8Very high41 Ų4136.2 Ų36.225%0.24818%0.184CC..Hα-helixtrans-66.2-52.5171.5169.70000110V273 I456 N464 L469 I470 E471V273-V467 HydrophobicContact CB-CG2 3.89Å; V273-V467 HydrophobicContact CG1-CG2 4.06Å; V273-V467 HydrophobicContact CG2-CG2 3.91Å; I456-V467 HydrophobicContact CD1-CG1 4.26Å; N464-V467 HydrophobicContact CB-CB 4.14Å; N464-V467 HydrophobicContact CB-CG2 4.12Å; N464-V467 PolarHBondContact O-N 2.95Å; N464-V467 VanDerWaalsContact O-N 3.12Å; N464-V467 PolarHBondContact OD1-N 2.95Å; V467-L469 VanDerWaalsContact C-N 3.3Å; V467-L469 PolarHBondContact O-N 2.82Å; V467-I470 PolarHBondContact O-N 3.2Å; V467-I470 VanDerWaalsContact O-N 3.11Å; V467-E471 HydrophobicContact CG1-CG 4.42Å; V467-E471 WeakPolarHBondContact CG1-OE2 3.36Å; V467-E471 PolarHBondContact O-N 3.49Å
468L98.2Very high96.2Very high0 Ų037.2 Ų37.20%018%0.182CC..Hα-helixtrans-57.4-38.9178.7-71.9171.6000113.1V412 L416 F449 L450 I456 Q463 N464 F472V412-L468 HydrophobicContact CB-CD1 4.32Å; V412-L468 HydrophobicContact CG1-CD1 4.39Å; V412-L468 HydrophobicContact CG2-CD1 4.08Å; L416-L468 HydrophobicContact CD1-CB 4.23Å; L416-L468 HydrophobicContact CD2-CB 4.35Å; F449-L468 HydrophobicContact CE1-CB 4.19Å; F449-L468 HydrophobicContact CE1-CD2 3.89Å; F449-L468 WeakPolarHBondContact CE1-O 3.41Å; F449-L468 HydrophobicContact CZ-CB 4.5Å; F449-L468 HydrophobicContact CZ-CD2 4.02Å; F449-L468 WeakPolarHBondContact CZ-O 3.17Å; L450-L468 HydrophobicContact CD2-CD1 4.34Å; L450-L468 HydrophobicContact CD2-CD2 4.18Å; I456-L468 HydrophobicContact CB-CD2 4.4Å; I456-L468 HydrophobicContact CD1-CD2 3.7Å; I456-L468 HydrophobicContact CD1-CG 4.09Å; I456-L468 HydrophobicContact CG2-CD2 4.14Å; Q463-L468 HydrophobicContact CB-CD1 4.22Å; N464-L468 PolarHBondContact O-N 3.34Å; L468-F472 WeakPolarHBondContact O-CB 3.36Å; L468-F472 PolarHBondContact O-N 3.28Å
469L98.6Very high96.6Very high0 Ų042.9 Ų42.90%021%0.208CC..Hα-helixtrans-66.7-41.6177-179.963.3000112.3V280 L416 V419 L420 L465 V467 F473 L547 L567V280-L469 HydrophobicContact CG2-CD2 3.89Å; L416-L469 HydrophobicContact CD2-CB 4.03Å; L416-L469 HydrophobicContact CD2-CD1 4.38Å; V419-L469 HydrophobicContact CG1-CD1 3.57Å; V419-L469 HydrophobicContact CG1-CD2 3.8Å; V419-L469 HydrophobicContact CG1-CG 4.35Å; L420-L469 HydrophobicContact CD2-CD1 4.22Å; L420-L469 HydrophobicContact CG-CD1 4.44Å; L465-L469 WeakPolarHBondContact O-CB 3.17Å; L465-L469 PolarHBondContact O-N 3.05Å; V467-L469 VanDerWaalsContact C-N 3.3Å; V467-L469 PolarHBondContact O-N 2.82Å; L469-F473 HydrophobicContact CD1-CD2 4.06Å; L469-F473 HydrophobicContact CD1-CE2 3.47Å; L469-F473 VanDerWaalsContact CD1-CE2 3.47Å; L469-F473 HydrophobicContact CD1-CZ 4.02Å; L469-F473 HydrophobicContact CD2-CE2 4.38Å; L469-F473 HydrophobicContact CG-CD2 4.1Å; L469-F473 HydrophobicContact CG-CE2 3.74Å; L469-F473 WeakPolarHBondContact O-CD2 3.3Å; L469-F473 PolarHBondContact O-N 2.94Å; L469-L547 HydrophobicContact CD2-CD1 3.95Å; L469-L547 HydrophobicContact CG-CD1 4.11Å; L469-L567 HydrophobicContact CD2-CD1 3.92Å
470I98.1Very high96.9Very high16 Ų1636.5 Ų36.58%0.08218%0.184CC..Hα-helixtrans-67.3-46.6177.1-70.5172000110.1V273 L276 G466 V467 F472 F473 E474 Y544 L547 V551V273-I470 HydrophobicContact CG1-CD1 4.4Å; L276-I470 HydrophobicContact CD2-CD1 3.77Å; L276-I470 HydrophobicContact CD2-CG1 4.01Å; G466-I470 WeakPolarHBondContact O-CG1 3.41Å; G466-I470 PolarHBondContact O-N 3.39Å; V467-I470 PolarHBondContact O-N 3.2Å; V467-I470 VanDerWaalsContact O-N 3.11Å; I470-F472 VanDerWaalsContact C-N 3.33Å; I470-F472 PolarHBondContact O-N 3.41Å; I470-F473 PolarHBondContact O-N 3Å; I470-E474 PolarHBondContact O-N 2.75Å; I470-Y544 HydrophobicContact CG2-CD2 3.79Å; I470-Y544 HydrophobicContact CG2-CE2 3.69Å; I470-Y544 WeakPolarHBondContact O-CD2 3.32Å; I470-L547 HydrophobicContact CD1-CB 4.13Å; I470-L547 HydrophobicContact CG1-CB 3.82Å; I470-L547 HydrophobicContact CG1-CD1 4.11Å; I470-V551 HydrophobicContact CD1-CG1 4.05Å; I470-V551 HydrophobicContact CD1-CG2 3.77Å
471E98.1Very high97.1Very high30 Ų3037.3 Ų37.314%0.1419%0.188CC..Hα-helixtrans-65-33.9179.3-71179.3125.200112.5F449 H453 R455 V467 E474 L475F449-E471 HydrophobicContact CE2-CB 3.91Å; F449-E471 HydrophobicContact CZ-CB 3.84Å; H453-E471 IonicContact CE1-OE1 2.76Å; H453-E471 IonicContact CE1-OE2 3.71Å; H453-E471 PolarHBondContact CE1-OE2 2.62Å; H453-E471 IonicContact NE2-OE1 3.7Å; H453-E471 IonicContact NE2-OE2 3.12Å; H453-E471 PolarHBondContact NE2-OE2 3.15Å; H453-E471 VanDerWaalsContact NE2-OE2 3.17Å; R455-E471 IonicContact CZ-OE1 3.46Å; R455-E471 IonicContact NE-OE1 3.41Å; R455-E471 IonicContact NH2-OE1 3.76Å; R455-E471 PolarHBondContact NH2-OE1 3.25Å; V467-E471 HydrophobicContact CG1-CG 4.42Å; V467-E471 WeakPolarHBondContact CG1-OE2 3.36Å; V467-E471 PolarHBondContact O-N 3.49Å; E471-E474 PolarHBondContact O-N 3.15Å; E471-L475 WeakPolarHBondContact O-CB 3.49Å; E471-L475 PolarHBondContact O-N 3.34Å
472F98.6Very high97.4Very high0 Ų033.5 Ų33.50%016%0.163CC..Hα-helixtrans-60.8-48.4171175.7-84.2000111.7L420 L442 M445 V446 F449 L468 I470 E474 L475 Y476 F540L420-F472 HydrophobicContact CD1-CD1 3.74Å; L420-F472 HydrophobicContact CD1-CD2 4.19Å; L420-F472 HydrophobicContact CD1-CE1 3.54Å; L420-F472 HydrophobicContact CD1-CE2 3.98Å; L420-F472 HydrophobicContact CD1-CG 4.09Å; L420-F472 HydrophobicContact CD1-CZ 3.66Å; L420-F472 HydrophobicContact CD2-CD1 3.71Å; L420-F472 HydrophobicContact CD2-CE1 3.53Å; L420-F472 HydrophobicContact CD2-CZ 4.39Å; L420-F472 HydrophobicContact CG-CD1 4.39Å; L420-F472 HydrophobicContact CG-CE1 4.18Å; L442-F472 HydrophobicContact CD1-CZ 4.41Å; M445-F472 HydrophobicContact CB-CE2 4.45Å; V446-F472 HydrophobicContact CB-CE2 4.31Å; V446-F472 HydrophobicContact CG2-CD2 4.07Å; V446-F472 HydrophobicContact CG2-CE2 3.48Å; V446-F472 VanDerWaalsContact CG2-CE2 3.48Å; V446-F472 HydrophobicContact CG2-CZ 4.04Å; F449-F472 HydrophobicContact CB-CD2 4.07Å; F449-F472 HydrophobicContact CD1-CB 4.14Å; F449-F472 HydrophobicContact CD1-CD2 4.03Å; F449-F472 HydrophobicContact CD2-CB 4.43Å; F449-F472 HydrophobicContact CE1-CB 3.99Å; F449-F472 HydrophobicContact CE2-CB 4.29Å; F449-F472 HydrophobicContact CG-CB 4.37Å; F449-F472 AromaticContact CG-CD2 3.98Å; F449-F472 HydrophobicContact CG-CD2 3.98Å; F449-F472 HydrophobicContact CZ-CB 4.08Å; L468-F472 WeakPolarHBondContact O-CB 3.36Å; L468-F472 PolarHBondContact O-N 3.28Å; I470-F472 VanDerWaalsContact C-N 3.33Å; I470-F472 PolarHBondContact O-N 3.41Å; F472-E474 VanDerWaalsContact C-N 3.32Å; F472-L475 PolarHBondContact O-N 2.76Å; F472-Y476 HydrophobicContact CD1-CD2 4.36Å; F472-Y476 AromaticContact CD2-CD2 3.68Å; F472-Y476 HydrophobicContact CD2-CD2 3.68Å; F472-Y476 AromaticContact CD2-CE2 3.74Å; F472-Y476 HydrophobicContact CD2-CE2 3.74Å; F472-Y476 HydrophobicContact CE1-CD2 4.05Å; F472-Y476 AromaticContact CE2-CD2 3.34Å; F472-Y476 HydrophobicContact CE2-CD2 3.34Å; F472-Y476 AromaticContact CE2-CE2 3.35Å; F472-Y476 HydrophobicContact CE2-CE2 3.35Å; F472-Y476 HydrophobicContact CG-CD2 4.18Å; F472-Y476 AromaticContact CZ-CD2 3.54Å; F472-Y476 HydrophobicContact CZ-CD2 3.54Å; F472-Y476 AromaticContact CZ-CE2 3.97Å; F472-Y476 HydrophobicContact CZ-CE2 3.97Å; F472-Y476 HydrophobicContact CZ-CG 4.47Å; F472-Y476 PolarHBondContact O-N 2.96Å; F472-F540 HydrophobicContact CE1-CE1 4.49Å; F472-F540 HydrophobicContact CE1-CZ 4.44Å
473F98.7Very high97.5Very high0 Ų033 Ų330%016%0.16CC..Hα-helixtrans-68.1-30.8177.1-71.3-53.2000112.1L420 F423 L469 I470 G477 F540 A543 L547 I570L420-F473 HydrophobicContact CD2-CD1 4.27Å; L420-F473 HydrophobicContact CD2-CE1 3.42Å; L420-F473 VanDerWaalsContact CD2-CE1 3.42Å; L420-F473 HydrophobicContact CD2-CE2 4.4Å; L420-F473 HydrophobicContact CD2-CZ 3.51Å; F423-F473 HydrophobicContact CD1-CE1 4.04Å; F423-F473 HydrophobicContact CD1-CZ 4.25Å; F423-F473 HydrophobicContact CD2-CZ 4.28Å; F423-F473 AromaticContact CE1-CE1 3.84Å; F423-F473 HydrophobicContact CE1-CE1 3.84Å; F423-F473 HydrophobicContact CE1-CZ 4.32Å; F423-F473 HydrophobicContact CE2-CZ 4.36Å; F423-F473 HydrophobicContact CG-CE1 4.49Å; F423-F473 HydrophobicContact CG-CZ 4.23Å; F423-F473 HydrophobicContact CZ-CE1 4.12Å; F423-F473 HydrophobicContact CZ-CZ 4.38Å; L469-F473 HydrophobicContact CD1-CD2 4.06Å; L469-F473 HydrophobicContact CD1-CE2 3.47Å; L469-F473 VanDerWaalsContact CD1-CE2 3.47Å; L469-F473 HydrophobicContact CD1-CZ 4.02Å; L469-F473 HydrophobicContact CD2-CE2 4.38Å; L469-F473 HydrophobicContact CG-CD2 4.1Å; L469-F473 HydrophobicContact CG-CE2 3.74Å; L469-F473 WeakPolarHBondContact O-CD2 3.3Å; L469-F473 PolarHBondContact O-N 2.94Å; I470-F473 PolarHBondContact O-N 3Å; F473-G477 WeakPolarHBondContact O-CA 3.48Å; F473-G477 PolarHBondContact O-N 2.94Å; F473-F540 HydrophobicContact CD1-CB 4.01Å; F473-F540 AromaticContact CD1-CD1 3.65Å; F473-F540 HydrophobicContact CD1-CD1 3.65Å; F473-F540 HydrophobicContact CD1-CE1 4.48Å; F473-F540 HydrophobicContact CD1-CG 4.1Å; F473-F540 AromaticContact CE1-CD1 3.65Å; F473-F540 HydrophobicContact CE1-CD1 3.65Å; F473-F540 HydrophobicContact CE1-CE1 4.18Å; F473-A543 HydrophobicContact CD1-CB 3.8Å; F473-A543 HydrophobicContact CD2-CB 3.88Å; F473-A543 HydrophobicContact CE1-CB 3.78Å; F473-A543 HydrophobicContact CE2-CB 3.85Å; F473-A543 HydrophobicContact CG-CB 3.86Å; F473-A543 HydrophobicContact CZ-CB 3.8Å; F473-L547 HydrophobicContact CD2-CD1 3.91Å; F473-L547 HydrophobicContact CE2-CD1 3.85Å; F473-I570 HydrophobicContact CE2-CD1 3.6Å; F473-I570 HydrophobicContact CZ-CD1 3.87Å
474E98.4Very high97.5Very high55 Ų5537 Ų3726%0.25718%0.177SC..Hα-helixtrans-66.5-49.5173.7-157.3179.6145.700111I470 E471 F472 R478 H479 Y544I470-E474 PolarHBondContact O-N 2.75Å; E471-E474 PolarHBondContact O-N 3.15Å; F472-E474 VanDerWaalsContact C-N 3.32Å; E474-R478 WeakPolarHBondContact O-CA 3.48Å; E474-R478 VanDerWaalsContact O-CB 3.28Å; E474-R478 WeakPolarHBondContact O-CB 3.03Å; E474-R478 PolarHBondContact O-N 3.06Å; E474-H479 PolarHBondContact O-N 3.29Å; E474-H479 IonicContact OE1-CD2 2.76Å; E474-H479 IonicContact OE1-CE1 3.89Å; E474-H479 IonicContact OE1-NE2 2.8Å; E474-H479 PolarHBondContact OE1-NE2 2.99Å; E474-Y544 HydrophobicContact CB-CD2 3.44Å; E474-Y544 VanDerWaalsContact CB-CD2 3.44Å; E474-Y544 HydrophobicContact CB-CE2 3.4Å; E474-Y544 HydrophobicContact CB-CG 4.23Å; E474-Y544 HydrophobicContact CG-CD2 3.77Å; E474-Y544 HydrophobicContact CG-CE1 4.22Å; E474-Y544 HydrophobicContact CG-CE2 3.35Å; E474-Y544 HydrophobicContact CG-CG 4.33Å; E474-Y544 WeakPolarHBondContact OE2-CE2 3.27Å; E474-Y544 VanDerWaalsContact OE2-CZ 3.24Å; E474-Y544 PolarHBondContact OE2-OH 2.72Å
475L98.5Very high97.5Very high37 Ų3737 Ų3719%0.19418%0.178CC..Iπ-helixtrans-59.4-60.3179.7176.562.1000110.9F449 E471 F472 H479 F480 Y495F449-L475 HydrophobicContact CD2-CD2 3.87Å; E471-L475 WeakPolarHBondContact O-CB 3.49Å; E471-L475 PolarHBondContact O-N 3.34Å; F472-L475 PolarHBondContact O-N 2.76Å; L475-H479 HydrophobicContact CD1-CB 4.37Å; L475-H479 PolarHBondContact O-N 2.9Å; L475-H479 VanDerWaalsContact O-N 3.09Å; L475-F480 HydrophobicContact CD1-CB 4.38Å; L475-F480 WeakPolarHBondContact O-CB 3.23Å; L475-F480 PolarHBondContact O-N 3.12Å; L475-Y495 WeakPolarHBondContact CD2-OH 3.41Å
476Y98.6Very high97.5Very high0 Ų036.8 Ų36.80%018%0.177CC..Iπ-helixtrans-81.4-16.9-174.3-66.4-62.7000113.8M445 F449 F472 F480 Y482 I487M445-Y476 HydrophobicContact CB-CE2 4.1Å; M445-Y476 HydrophobicContact CE-CD1 3.45Å; M445-Y476 VanDerWaalsContact CE-CD1 3.45Å; M445-Y476 HydrophobicContact CE-CD2 3.94Å; M445-Y476 HydrophobicContact CE-CE1 3.75Å; M445-Y476 HydrophobicContact CE-CE2 4.18Å; M445-Y476 HydrophobicContact CE-CG 3.54Å; M445-Y476 WeakPolarHBondContact O-CE2 3.12Å; M445-Y476 PolarHBondContact O-OH 3.29Å; F449-Y476 HydrophobicContact CB-CE2 4.07Å; F472-Y476 HydrophobicContact CD1-CD2 4.36Å; F472-Y476 AromaticContact CD2-CD2 3.68Å; F472-Y476 HydrophobicContact CD2-CD2 3.68Å; F472-Y476 AromaticContact CD2-CE2 3.74Å; F472-Y476 HydrophobicContact CD2-CE2 3.74Å; F472-Y476 HydrophobicContact CE1-CD2 4.05Å; F472-Y476 AromaticContact CE2-CD2 3.34Å; F472-Y476 HydrophobicContact CE2-CD2 3.34Å; F472-Y476 AromaticContact CE2-CE2 3.35Å; F472-Y476 HydrophobicContact CE2-CE2 3.35Å; F472-Y476 HydrophobicContact CG-CD2 4.18Å; F472-Y476 AromaticContact CZ-CD2 3.54Å; F472-Y476 HydrophobicContact CZ-CD2 3.54Å; F472-Y476 AromaticContact CZ-CE2 3.97Å; F472-Y476 HydrophobicContact CZ-CE2 3.97Å; F472-Y476 HydrophobicContact CZ-CG 4.47Å; F472-Y476 PolarHBondContact O-N 2.96Å; Y476-F480 HydrophobicContact CD1-CB 3.87Å; Y476-F480 HydrophobicContact CD1-CD1 4.28Å; Y476-F480 HydrophobicContact CD1-CD2 4.13Å; Y476-F480 AromaticContact CD1-CG 3.82Å; Y476-F480 HydrophobicContact CD1-CG 3.82Å; Y476-F480 HydrophobicContact CE1-CB 4.39Å; Y476-F480 AromaticContact CE1-CD2 3.8Å; Y476-F480 HydrophobicContact CE1-CD2 3.8Å; Y476-F480 HydrophobicContact CE1-CE2 4.22Å; Y476-F480 AromaticContact CE1-CG 3.97Å; Y476-F480 HydrophobicContact CE1-CG 3.97Å; Y476-Y482 WeakPolarHBondContact O-CE2 3.22Å; Y476-Y482 PolarHBondContact O-OH 3.31Å; Y476-Y482 VanDerWaalsContact O-OH 3.11Å; Y476-I487 HydrophobicContact CE1-CD1 3.94Å
477G98.2Very high97.5Very high1 Ų136.8 Ų36.81%0.0118%0.177CC..Iπ-helixtrans-81.5-41.6170.800000113.3F473 K537F473-G477 WeakPolarHBondContact O-CA 3.48Å; F473-G477 PolarHBondContact O-N 2.94Å; G477-K537 WeakPolarHBondContact CA-O 3.32Å; G477-K537 WeakPolarHBondContact O-CG 3.18Å; G477-K537 PolarHBondContact O-NZ 3.46Å
478R97.6Very high97.4Very high108 Ų10837.1 Ų37.141%0.40817%0.173SC..Iπ-helixtrans-111.8-64-171.3-58.8-171.9166.3-165.4-7.6112.9E474 K537 D541 T545E474-R478 WeakPolarHBondContact O-CA 3.48Å; E474-R478 VanDerWaalsContact O-CB 3.28Å; E474-R478 WeakPolarHBondContact O-CB 3.03Å; E474-R478 PolarHBondContact O-N 3.06Å; R478-K537 PolarHBondContact O-NZ 3.14Å; R478-K537 VanDerWaalsContact O-NZ 3.1Å; R478-D541 IonicContact CZ-OD1 3.87Å; R478-D541 IonicContact NE-OD1 2.68Å; R478-D541 PolarHBondContact NE-OD1 2.87Å; R478-D541 IonicContact NH2-OD1 3.3Å; R478-D541 PolarHBondContact NH2-OD1 2.77Å; R478-T545 PolarHBondContact NH2-OG1 2.78Å
479H97.3Very high97.3Very high119 Ų11937.2 Ų37.255%0.55117%0.174SC*.Iπ-helixtrans-85.7-28.2-159.4-57.3-49.3000115.4E474 L475 N481E474-H479 PolarHBondContact O-N 3.29Å; E474-H479 IonicContact OE1-CD2 2.76Å; E474-H479 IonicContact OE1-CE1 3.89Å; E474-H479 IonicContact OE1-NE2 2.8Å; E474-H479 PolarHBondContact OE1-NE2 2.99Å; L475-H479 HydrophobicContact CD1-CB 4.37Å; L475-H479 PolarHBondContact O-N 2.9Å; L475-H479 VanDerWaalsContact O-N 3.09Å; H479-N481 PolarHBondContact O-N 3.15Å
480F97.9Very high97Very high9 Ų939.7 Ų39.74%0.03919%0.191CC..  trans-67.8123.6-176.6-174-92.2000111.3L475 Y476 Y482 T485 I487 Y495L475-F480 HydrophobicContact CD1-CB 4.38Å; L475-F480 WeakPolarHBondContact O-CB 3.23Å; L475-F480 PolarHBondContact O-N 3.12Å; Y476-F480 HydrophobicContact CD1-CB 3.87Å; Y476-F480 HydrophobicContact CD1-CD1 4.28Å; Y476-F480 HydrophobicContact CD1-CD2 4.13Å; Y476-F480 AromaticContact CD1-CG 3.82Å; Y476-F480 HydrophobicContact CD1-CG 3.82Å; Y476-F480 HydrophobicContact CE1-CB 4.39Å; Y476-F480 AromaticContact CE1-CD2 3.8Å; Y476-F480 HydrophobicContact CE1-CD2 3.8Å; Y476-F480 HydrophobicContact CE1-CE2 4.22Å; Y476-F480 AromaticContact CE1-CG 3.97Å; Y476-F480 HydrophobicContact CE1-CG 3.97Å; F480-Y482 HydrophobicContact CB-CE2 4.22Å; F480-Y482 AromaticContact CD1-CD1 3.97Å; F480-Y482 HydrophobicContact CD1-CD1 3.97Å; F480-Y482 AromaticContact CD1-CD2 3.74Å; F480-Y482 HydrophobicContact CD1-CD2 3.74Å; F480-Y482 AromaticContact CD1-CE1 3.96Å; F480-Y482 HydrophobicContact CD1-CE1 3.96Å; F480-Y482 AromaticContact CD1-CE2 3.72Å; F480-Y482 HydrophobicContact CD1-CE2 3.72Å; F480-Y482 AromaticContact CD1-CG 3.86Å; F480-Y482 HydrophobicContact CD1-CG 3.86Å; F480-Y482 AromaticContact CD1-CZ 3.83Å; F480-Y482 HydrophobicContact CE1-CD1 4.04Å; F480-Y482 HydrophobicContact CE1-CE1 4.21Å; F480-Y482 HydrophobicContact CE1-CG 4.2Å; F480-Y482 HydrophobicContact CG-CE2 4.44Å; F480-Y482 VanDerWaalsContact O-CD2 3.25Å; F480-Y482 WeakPolarHBondContact O-CD2 3.46Å; F480-Y482 PolarHBondContact O-N 3.19Å; F480-Y482 VanDerWaalsContact O-N 3.09Å; F480-T485 HydrophobicContact CD2-CG2 4.44Å; F480-T485 HydrophobicContact CE2-CG2 3.57Å; F480-T485 HydrophobicContact CZ-CG2 3.73Å; F480-I487 HydrophobicContact CE2-CD1 4.15Å; F480-I487 HydrophobicContact CE2-CG1 3.83Å; F480-I487 HydrophobicContact CZ-CD1 4.03Å; F480-I487 HydrophobicContact CZ-CG1 3.69Å; F480-Y495 HydrophobicContact CD2-CD1 4.43Å; F480-Y495 HydrophobicContact CD2-CE1 4.23Å; F480-Y495 AromaticContact CE2-CD1 3.78Å; F480-Y495 HydrophobicContact CE2-CD1 3.78Å; F480-Y495 AromaticContact CE2-CE1 3.82Å; F480-Y495 HydrophobicContact CE2-CE1 3.82Å
481N96.8Very high96.5Very high72 Ų7247.1 Ų47.139%0.38523%0.231SC..  trans-87.579-175.8-169.8-16.9000111.7H479 L483 K484 T485H479-N481 PolarHBondContact O-N 3.15Å; N481-L483 PolarHBondContact O-N 3.34Å; N481-L483 PolarHBondContact OD1-N 3.26Å; N481-K484 PolarHBondContact O-N 3.18Å; N481-K484 PolarHBondContact OD1-N 3.43Å; N481-T485 WeakPolarHBondContact O-CB 3.27Å; N481-T485 PolarHBondContact O-N 2.88Å
482Y96.8Very high96.1Very high4 Ų447.4 Ų47.42%0.01624%0.242CC..THydrogen-bonded Turntrans-50.2-21.9174.5-70.1-87.9000114.7Y476 F480 K498 L514 A533 F536 K537Y476-Y482 WeakPolarHBondContact O-CE2 3.22Å; Y476-Y482 PolarHBondContact O-OH 3.31Å; Y476-Y482 VanDerWaalsContact O-OH 3.11Å; F480-Y482 HydrophobicContact CB-CE2 4.22Å; F480-Y482 AromaticContact CD1-CD1 3.97Å; F480-Y482 HydrophobicContact CD1-CD1 3.97Å; F480-Y482 AromaticContact CD1-CD2 3.74Å; F480-Y482 HydrophobicContact CD1-CD2 3.74Å; F480-Y482 AromaticContact CD1-CE1 3.96Å; F480-Y482 HydrophobicContact CD1-CE1 3.96Å; F480-Y482 AromaticContact CD1-CE2 3.72Å; F480-Y482 HydrophobicContact CD1-CE2 3.72Å; F480-Y482 AromaticContact CD1-CG 3.86Å; F480-Y482 HydrophobicContact CD1-CG 3.86Å; F480-Y482 AromaticContact CD1-CZ 3.83Å; F480-Y482 HydrophobicContact CE1-CD1 4.04Å; F480-Y482 HydrophobicContact CE1-CE1 4.21Å; F480-Y482 HydrophobicContact CE1-CG 4.2Å; F480-Y482 HydrophobicContact CG-CE2 4.44Å; F480-Y482 VanDerWaalsContact O-CD2 3.25Å; F480-Y482 WeakPolarHBondContact O-CD2 3.46Å; F480-Y482 PolarHBondContact O-N 3.19Å; F480-Y482 VanDerWaalsContact O-N 3.09Å; Y482-K498 WeakPolarHBondContact O-CE 3.36Å; Y482-K498 PolarHBondContact O-NZ 2.91Å; Y482-L514 HydrophobicContact CD1-CB 4.5Å; Y482-L514 HydrophobicContact CE1-CB 4.46Å; Y482-L514 HydrophobicContact CE1-CD1 4.11Å; Y482-A533 HydrophobicContact CD1-CB 4.25Å; Y482-A533 HydrophobicContact CE1-CB 4.38Å; Y482-F536 HydrophobicContact CE1-CE2 4.01Å; Y482-K537 HydrophobicContact CD2-CD 3.65Å; Y482-K537 HydrophobicContact CD2-CG 4.19Å; Y482-K537 HydrophobicContact CE2-CB 4.03Å; Y482-K537 HydrophobicContact CE2-CD 3.77Å; Y482-K537 HydrophobicContact CE2-CG 3.77Å
483L94.6Very high95.9Very high121 Ų12148.2 Ų48.263%0.63425%0.25SS*.THydrogen-bonded Turntrans-80.5-31.9178.4-62.5177.4000113.1N481 K498 M513N481-L483 PolarHBondContact O-N 3.34Å; N481-L483 PolarHBondContact OD1-N 3.26Å; L483-K498 WeakPolarHBondContact O-CD 3.38Å; L483-M513 HydrophobicContact CD2-CE 4.34Å; L483-M513 HydrophobicContact CD2-SD 3.86Å
484K95.3Very high95.8Very high131 Ų13149.6 Ų49.657%0.5726%0.261SS*.THydrogen-bonded Turntrans-122.6-20.1-170.1-62-167.6175.7-169.80115.6N481 K498N481-K484 PolarHBondContact O-N 3.18Å; N481-K484 PolarHBondContact OD1-N 3.43Å; K484-K498 PolarHBondContact O-N 3.49Å
485T96.6Very high95.7Very high29 Ų2951 Ų5118%0.17827%0.265CS..EExtended strand (participates in β ladder)trans-102136.6-172.6-56.80000111.5F480 N481 Y495 V496 K498F480-T485 HydrophobicContact CD2-CG2 4.44Å; F480-T485 HydrophobicContact CE2-CG2 3.57Å; F480-T485 HydrophobicContact CZ-CG2 3.73Å; N481-T485 WeakPolarHBondContact O-CB 3.27Å; N481-T485 PolarHBondContact O-N 2.88Å; T485-Y495 HydrophobicContact CG2-CD1 4.14Å; T485-Y495 HydrophobicContact CG2-CG 4.23Å; T485-V496 CarbonylContact C-O 3.59Å; T485-V496 WeakPolarHBondContact CA-O 3.39Å; T485-K498 VanDerWaalsContact O-CE 3.29Å; T485-K498 WeakPolarHBondContact O-CE 3.41Å
486G96.3Very high95.6Very high0 Ų049.8 Ų49.80%026%0.259CS..EExtended strand (participates in β ladder)trans-109156.4163.900000111.3V496 C515G486-V496 PolarHBondContact N-O 2.81Å; G486-V496 WeakPolarHBondContact O-CG2 3.4Å; G486-V496 PolarHBondContact O-N 3.01Å; G486-C515 WeakPolarHBondContact CA-O 3.41Å
487I97.5Very high95.4Very high0 Ų053.2 Ų53.20%028%0.28CS..EExtended strand (participates in β ladder)trans-101.4125.2178.8-59.9-179000109.8M445 S448 Y476 F480 I489 Y495 L514 C515 I516 E517M445-I487 HydrophobicContact CG-CD1 3.9Å; S448-I487 WeakPolarHBondContact OG-CG2 3.37Å; Y476-I487 HydrophobicContact CE1-CD1 3.94Å; F480-I487 HydrophobicContact CE2-CD1 4.15Å; F480-I487 HydrophobicContact CE2-CG1 3.83Å; F480-I487 HydrophobicContact CZ-CD1 4.03Å; F480-I487 HydrophobicContact CZ-CG1 3.69Å; I487-I489 HydrophobicContact CG2-CD1 3.69Å; I487-I489 HydrophobicContact CG2-CG1 4.42Å; I487-Y495 HydrophobicContact CG1-CD1 4.38Å; I487-Y495 HydrophobicContact CG1-CE1 4.23Å; I487-L514 HydrophobicContact CD1-CD1 4.27Å; I487-C515 PolarHBondContact N-O 3.43Å; I487-I516 HydrophobicContact CB-CB 4.44Å; I487-I516 HydrophobicContact CB-CG1 4.2Å; I487-I516 HydrophobicContact CB-CG2 4.19Å; I487-I516 HydrophobicContact CD1-CD1 4.49Å; I487-I516 HydrophobicContact CD1-CG1 4.24Å; I487-I516 HydrophobicContact CG2-CG2 4.31Å; I487-E517 PolarHBondContact O-N 3.28Å
488R95.8Very high95.2Very high47 Ų4754 Ų5418%0.17728%0.284CS..EExtended strand (participates in β ladder)trans-114.4134.9171.5174.1176.6-65.7151.69109.7S490 G493 A494 V496 E500 E517R488-S490 WeakPolarHBondContact CD-OG 3.24Å; R488-S490 VanDerWaalsContact CG-OG 3.23Å; R488-S490 WeakPolarHBondContact CG-OG 3.42Å; R488-G493 CarbonylContact O-C 3.45Å; R488-G493 VanDerWaalsContact O-CA 3.31Å; R488-G493 WeakPolarHBondContact O-CA 3.38Å; R488-A494 HydrophobicContact CB-CB 4.26Å; R488-A494 PolarHBondContact N-O 3.41Å; R488-A494 PolarHBondContact O-N 2.64Å; R488-V496 HydrophobicContact CB-CG1 4.41Å; R488-V496 HydrophobicContact CB-CG2 4.33Å; R488-E500 IonicContact CZ-OE1 2.67Å; R488-E500 IonicContact NH1-OE1 3.46Å; R488-E500 PolarHBondContact NH1-OE1 3.09Å; R488-E500 IonicContact NH2-OE1 2.65Å; R488-E500 PolarHBondContact NH2-OE1 3.24Å; R488-E517 WeakPolarHBondContact CB-OE2 3.43Å; R488-E517 VanDerWaalsContact CG-OE2 3.27Å; R488-E517 WeakPolarHBondContact CG-OE2 3.36Å; R488-E517 IonicContact CZ-OE1 3.61Å; R488-E517 IonicContact CZ-OE2 3.2Å; R488-E517 IonicContact NE-OE1 2.74Å; R488-E517 PolarHBondContact NE-OE1 3.06Å; R488-E517 IonicContact NE-OE2 3.65Å; R488-E517 PolarHBondContact NE-OE2 2.91Å; R488-E517 IonicContact NH2-OE1 2.8Å; R488-E517 PolarHBondContact NH2-OE1 2.85Å; R488-E517 IonicContact NH2-OE2 2.7Å
489I95.5Very high94.8Very high3 Ų354 Ų542%0.01529%0.288CS..  trans-106.7-18.1-175.7-54.4-62000112.6F402 Y406 L444 I447 Q451 I487F402-I489 HydrophobicContact CZ-CG2 4.06Å; Y406-I489 HydrophobicContact CE1-CG2 4.46Å; Y406-I489 PolarHBondContact OH-O 3.26Å; L444-I489 HydrophobicContact CB-CD1 4.28Å; L444-I489 HydrophobicContact CB-CG1 4.26Å; L444-I489 HydrophobicContact CD2-CG1 4.27Å; L444-I489 VanDerWaalsContact O-CD1 3.26Å; L444-I489 WeakPolarHBondContact O-CD1 3.37Å; I447-I489 HydrophobicContact CG2-CD1 4.27Å; I447-I489 HydrophobicContact CG2-CG2 3.7Å; Q451-I489 PolarHBondContact NE2-O 3.29Å; I487-I489 HydrophobicContact CG2-CD1 3.69Å; I487-I489 HydrophobicContact CG2-CG1 4.42Å
490S91.3Very high94.5Very high51 Ų5151.5 Ų51.536%0.35728%0.276SS..G310 helixtrans-67.2161.3177.953.70000112.5R488 G492 G493R488-S490 WeakPolarHBondContact CD-OG 3.24Å; R488-S490 VanDerWaalsContact CG-OG 3.23Å; R488-S490 WeakPolarHBondContact CG-OG 3.42Å; S490-G492 PolarHBondContact O-N 2.88Å; S490-G493 PolarHBondContact O-N 3.12Å
491N88.6Confident94Very high173 Ų17351 Ų5193%0.92528%0.275SS*.G310 helixtrans54.720.4172.8-60-8.7000116.8
492G89.2Confident93.5Very high36 Ų3651.9 Ų51.937%0.37128%0.277SS..G310 helixtrans107.5-3.9-178.300000114.5Q451 S490Q451-G492 VanDerWaalsContact CB-O 3.23Å; Q451-G492 WeakPolarHBondContact CB-O 3.19Å; Q451-G492 VanDerWaalsContact CG-O 3.28Å; Q451-G492 WeakPolarHBondContact CG-O 3.29Å; S490-G492 PolarHBondContact O-N 2.88Å
493G94.5Very high93Very high16 Ų1659.8 Ų59.817%0.16531%0.312CS..  trans99.3147.2-179.100000112.2R488 S490R488-G493 CarbonylContact O-C 3.45Å; R488-G493 VanDerWaalsContact O-CA 3.31Å; R488-G493 WeakPolarHBondContact O-CA 3.38Å; S490-G493 PolarHBondContact O-N 3.12Å
494A96.7Very high92.2Very high29 Ų2957.7 Ų57.724%0.2430%0.304CS..EExtended strand (participates in β ladder)trans-156.5148.5170.900000112.1R488 V496R488-A494 HydrophobicContact CB-CB 4.26Å; R488-A494 PolarHBondContact N-O 3.41Å; R488-A494 PolarHBondContact O-N 2.64Å; A494-V496 HydrophobicContact CB-CG1 4.08Å
495Y97Very high91.3Very high85 Ų8552 Ų5233%0.33328%0.28SS..EExtended strand (participates in β ladder)trans-95.3118.9161.1-64.8-47.7000108.7S448 L452 L475 F480 T485 I487S448-Y495 WeakPolarHBondContact OG-CE1 3.43Å; S448-Y495 PolarHBondContact OG-OH 2.94Å; L452-Y495 HydrophobicContact CB-CE2 4.13Å; L452-Y495 HydrophobicContact CD1-CD1 4.09Å; L452-Y495 HydrophobicContact CD1-CD2 3.67Å; L452-Y495 HydrophobicContact CD1-CE1 3.89Å; L452-Y495 HydrophobicContact CD1-CE2 3.43Å; L452-Y495 VanDerWaalsContact CD1-CE2 3.43Å; L452-Y495 HydrophobicContact CD1-CG 3.96Å; L452-Y495 HydrophobicContact CG-CE2 4.41Å; L475-Y495 WeakPolarHBondContact CD2-OH 3.41Å; F480-Y495 HydrophobicContact CD2-CD1 4.43Å; F480-Y495 HydrophobicContact CD2-CE1 4.23Å; F480-Y495 AromaticContact CE2-CD1 3.78Å; F480-Y495 HydrophobicContact CE2-CD1 3.78Å; F480-Y495 AromaticContact CE2-CE1 3.82Å; F480-Y495 HydrophobicContact CE2-CE1 3.82Å; T485-Y495 HydrophobicContact CG2-CD1 4.14Å; T485-Y495 HydrophobicContact CG2-CG 4.23Å; I487-Y495 HydrophobicContact CG1-CD1 4.38Å; I487-Y495 HydrophobicContact CG1-CE1 4.23Å
496V95.2Very high89.8Confident11 Ų1155.5 Ų55.57%0.06730%0.301CS..EExtended strand (participates in β ladder)trans-118159.6-172.6-690000110.5T485 G486 R488 A494 V501T485-V496 CarbonylContact C-O 3.59Å; T485-V496 WeakPolarHBondContact CA-O 3.39Å; G486-V496 PolarHBondContact N-O 2.81Å; G486-V496 WeakPolarHBondContact O-CG2 3.4Å; G486-V496 PolarHBondContact O-N 3.01Å; R488-V496 HydrophobicContact CB-CG1 4.41Å; R488-V496 HydrophobicContact CB-CG2 4.33Å; A494-V496 HydrophobicContact CB-CG1 4.08Å; V496-V501 HydrophobicContact CG2-CG2 3.5Å
497T95.2Very high87.8Confident72 Ų7263.2 Ų63.244%0.44234%0.342SS..EExtended strand (participates in β ladder)trans-77.8146174.593.90000109.7E499 E500 V501T497-E499 WeakPolarHBondContact CB-OE2 3.39Å; T497-E499 PolarHBondContact O-N 3.13Å; T497-E499 PolarHBondContact OG1-OE2 3.15Å; T497-E500 WeakPolarHBondContact O-CA 3.48Å; T497-E500 VanDerWaalsContact O-CB 3.26Å; T497-E500 WeakPolarHBondContact O-CB 3.34Å; T497-E500 PolarHBondContact O-N 2.76Å; T497-E500 PolarHBondContact OG1-N 2.9Å; T497-V501 PolarHBondContact O-N 3.4Å
498K92.8Very high86Confident19 Ų1967.1 Ų67.18%0.08338%0.382CS..Hα-helixtrans-60.6-30.8179-79.3177.1177.9-1630112.3Y482 L483 K484 T485 E500 V501 M502 P511 S512 C515Y482-K498 WeakPolarHBondContact O-CE 3.36Å; Y482-K498 PolarHBondContact O-NZ 2.91Å; L483-K498 WeakPolarHBondContact O-CD 3.38Å; K484-K498 PolarHBondContact O-N 3.49Å; T485-K498 VanDerWaalsContact O-CE 3.29Å; T485-K498 WeakPolarHBondContact O-CE 3.41Å; K498-E500 VanDerWaalsContact C-N 3.25Å; K498-E500 PolarHBondContact O-N 3.06Å; K498-V501 PolarHBondContact O-N 2.76Å; K498-M502 VanDerWaalsContact O-CG 3.31Å; K498-M502 WeakPolarHBondContact O-CG 3.26Å; K498-M502 PolarHBondContact O-N 3.34Å; K498-P511 HydrophobicContact CB-CB 4.08Å; K498-P511 HydrophobicContact CB-CG 4.08Å; K498-P511 HydrophobicContact CD-CB 3.94Å; K498-P511 HydrophobicContact CG-CB 3.98Å; K498-S512 PolarHBondContact NZ-O 3.43Å; K498-C515 HydrophobicContact CG-CB 4.3Å
499E90.4Very high84.7Confident107 Ų10770.6 Ų70.650%0.540%0.396SS..Hα-helixtrans-68.5-21.4173.7-50.680.3-178.200112.9T497 K503T497-E499 WeakPolarHBondContact CB-OE2 3.39Å; T497-E499 PolarHBondContact O-N 3.13Å; T497-E499 PolarHBondContact OG1-OE2 3.15Å; E499-K503 VanDerWaalsContact O-CE 3.29Å; E499-K503 WeakPolarHBondContact O-CE 3.43Å; E499-K503 WeakPolarHBondContact O-CG 3.37Å
500E90.1Very high83.7Confident66 Ų6676.1 Ų76.131%0.30843%0.43SS..Hα-helixtrans-77.2-47.3168.1-164.9-163.1133.300110.7R488 T497 K498 M502 K503R488-E500 IonicContact CZ-OE1 2.67Å; R488-E500 IonicContact NH1-OE1 3.46Å; R488-E500 PolarHBondContact NH1-OE1 3.09Å; R488-E500 IonicContact NH2-OE1 2.65Å; R488-E500 PolarHBondContact NH2-OE1 3.24Å; T497-E500 WeakPolarHBondContact O-CA 3.48Å; T497-E500 VanDerWaalsContact O-CB 3.26Å; T497-E500 WeakPolarHBondContact O-CB 3.34Å; T497-E500 PolarHBondContact O-N 2.76Å; T497-E500 PolarHBondContact OG1-N 2.9Å; K498-E500 VanDerWaalsContact C-N 3.25Å; K498-E500 PolarHBondContact O-N 3.06Å; E500-M502 VanDerWaalsContact C-N 3.27Å; E500-M502 PolarHBondContact O-N 3.41Å; E500-K503 WeakPolarHBondContact O-CB 3.43Å; E500-K503 PolarHBondContact O-N 3.28Å
501V87.9Confident83.3Confident0 Ų074.9 Ų74.90%042%0.421CS..Hα-helixtrans-58.1-39.6177.4-177.70000111.3V496 T497 K498 K503 T504 M505 E517V496-V501 HydrophobicContact CG2-CG2 3.5Å; T497-V501 PolarHBondContact O-N 3.4Å; K498-V501 PolarHBondContact O-N 2.76Å; V501-K503 PolarHBondContact O-N 2.97Å; V501-K503 VanDerWaalsContact O-N 3.1Å; V501-T504 PolarHBondContact O-N 3Å; V501-T504 PolarHBondContact O-OG1 3.15Å; V501-M505 HydrophobicContact CG1-CE 3.4Å; V501-M505 HydrophobicContact CG1-CG 4.3Å; V501-M505 HydrophobicContact CG1-SD 3.98Å; V501-M505 WeakPolarHBondContact O-CG 3.25Å; V501-M505 PolarHBondContact O-N 3.18Å; V501-E517 HydrophobicContact CG1-CG 3.95Å; V501-E517 HydrophobicContact CG2-CG 4.25Å
502M86.4Confident83.4Confident90 Ų9067.5 Ų67.544%0.44338%0.383SS..THydrogen-bonded Turntrans-58.6-23175.7-74.1177.178.400114.2K498 E500 T504 P511K498-M502 VanDerWaalsContact O-CG 3.31Å; K498-M502 WeakPolarHBondContact O-CG 3.26Å; K498-M502 PolarHBondContact O-N 3.34Å; E500-M502 VanDerWaalsContact C-N 3.27Å; E500-M502 PolarHBondContact O-N 3.41Å; M502-T504 VanDerWaalsContact C-N 3.33Å; M502-P511 HydrophobicContact CG-CG 3.28Å; M502-P511 VanDerWaalsContact SD-CD 3.52Å; M502-P511 HydrophobicContact SD-CG 3.72Å
503K85.8Confident83.6Confident170 Ų17068.8 Ų68.874%0.73938%0.38SS*.THydrogen-bonded Turntrans-77.7-19.3178.3-60.1166.8-171.9169.70112.8E499 E500 V501E499-K503 VanDerWaalsContact O-CE 3.29Å; E499-K503 WeakPolarHBondContact O-CE 3.43Å; E499-K503 WeakPolarHBondContact O-CG 3.37Å; E500-K503 WeakPolarHBondContact O-CB 3.43Å; E500-K503 PolarHBondContact O-N 3.28Å; V501-K503 PolarHBondContact O-N 2.97Å; V501-K503 VanDerWaalsContact O-N 3.1Å
504T79.3Confident83.7Confident76 Ų7668 Ų6847%0.46637%0.373SS..THydrogen-bonded Turntrans-102.8-8.3177.763.70000112.5V501 M502 G523V501-T504 PolarHBondContact O-N 3Å; V501-T504 PolarHBondContact O-OG1 3.15Å; M502-T504 VanDerWaalsContact C-N 3.33Å; T504-G523 WeakPolarHBondContact O-CA 3.33Å
505M74.8Confident83.6Confident13 Ų1366.7 Ų66.76%0.06436%0.361CS..SBendtrans-85.8140.9173.9-69.2-175165.900111.9V501 G523 D525V501-M505 HydrophobicContact CG1-CE 3.4Å; V501-M505 HydrophobicContact CG1-CG 4.3Å; V501-M505 HydrophobicContact CG1-SD 3.98Å; V501-M505 WeakPolarHBondContact O-CG 3.25Å; V501-M505 PolarHBondContact O-N 3.18Å; M505-G523 WeakPolarHBondContact CG-O 3.36Å; M505-D525 HydrophobicContact CE-CB 3.61Å
506T65.2Low83.6Confident102 Ų10262.6 Ų62.663%0.62635%0.345SS*.  trans-60.7139.3175.2-36.80000110.7G508 Y509T506-G508 PolarHBondContact O-N 3.07Å; T506-Y509 WeakPolarHBondContact O-CD2 3.16Å
507N53.9Low83.5Confident161 Ų16163.4 Ų63.486%0.86135%0.348SS*.THydrogen-bonded Turntrans-40.3123.9-165.6-60.29.4000115.3
508G59.6Low83.4Confident82 Ų8260.6 Ų60.685%0.84533%0.33SS*.THydrogen-bonded Turntrans107.7-10162.100000116.9T506T506-G508 PolarHBondContact O-N 3.07Å
509Y68.8Low83.4Confident120 Ų12061.7 Ų61.747%0.47134%0.34SS..PPolyproline II helixtrans-75.7129.9179.1-71.7-65.4000113.3T506 R528T506-Y509 WeakPolarHBondContact O-CD2 3.16Å; Y509-R528 VanDerWaalsContact CE1-NH1 3.26Å
510T76.1Confident83.4Confident119 Ų11960 Ų6073%0.7333%0.334SS*.PPolyproline II helixtrans-76.8131.6164.344.80000110S512T510-S512 PolarHBondContact O-N 3Å
511P82Confident83.4Confident26 Ų2659.3 Ų59.317%0.16933%0.332CS..PPolyproline II helixtrans-62.7134.3174.9-27.738000111.9K498 M502 C515K498-P511 HydrophobicContact CB-CB 4.08Å; K498-P511 HydrophobicContact CB-CG 4.08Å; K498-P511 HydrophobicContact CD-CB 3.94Å; K498-P511 HydrophobicContact CG-CB 3.98Å; M502-P511 HydrophobicContact CG-CG 3.28Å; M502-P511 VanDerWaalsContact SD-CD 3.52Å; M502-P511 HydrophobicContact SD-CG 3.72Å; P511-C515 HydrophobicContact CB-CB 4.28Å
512S91.2Very high83.3Confident18 Ų1864.9 Ų64.913%0.12637%0.368CS..PPolyproline II helixtrans-72.2172.6-177710000113K498 T510 L514 D525 G527 R528K498-S512 PolarHBondContact NZ-O 3.43Å; T510-S512 PolarHBondContact O-N 3Å; S512-L514 PolarHBondContact O-N 3.29Å; S512-L514 PolarHBondContact OG-O 3.18Å; S512-D525 VanDerWaalsContact CB-OD2 3.29Å; S512-D525 WeakPolarHBondContact CB-OD2 3.25Å; S512-D525 PolarHBondContact N-OD2 3.07Å; S512-D525 VanDerWaalsContact N-OD2 3.08Å; S512-D525 PolarHBondContact OG-OD2 3.13Å; S512-G527 PolarHBondContact OG-O 3.48Å; S512-R528 PolarHBondContact OG-N 3.29Å
513M92.9Very high83.3Confident63 Ų6361.3 Ų61.331%0.3135%0.354SS..SBendtrans-61.9-42.2-177.7-168.46675.900111.9L483 A533 M534L483-M513 HydrophobicContact CD2-CE 4.34Å; L483-M513 HydrophobicContact CD2-SD 3.86Å; M513-A533 HydrophobicContact CB-CB 3.98Å; M513-A533 HydrophobicContact CG-CB 3.74Å; M513-M534 HydrophobicContact CE-CG 4.28Å; M513-M534 HydrophobicContact CG-CG 4.31Å; M513-M534 HydrophobicContact SD-CG 4.29Å; M513-M534 HydrophobicContact SD-SD 4.28Å
514L95.9Very high83.4Confident0 Ų054 Ų540%032%0.323CS..SBendtrans-102.188.6166.1170.957000108.3I437 M445 Y482 I487 S512 I516 G527 A533 F536I437-L514 HydrophobicContact CD1-CD2 3.99Å; I437-L514 HydrophobicContact CG1-CD2 3.82Å; M445-L514 HydrophobicContact CE-CD1 4.39Å; M445-L514 HydrophobicContact CG-CD1 4.36Å; M445-L514 HydrophobicContact SD-CD1 3.94Å; M445-L514 HydrophobicContact SD-CD2 3.6Å; M445-L514 VanDerWaalsContact SD-CD2 3.6Å; M445-L514 HydrophobicContact SD-CG 4.42Å; Y482-L514 HydrophobicContact CD1-CB 4.5Å; Y482-L514 HydrophobicContact CE1-CB 4.46Å; Y482-L514 HydrophobicContact CE1-CD1 4.11Å; I487-L514 HydrophobicContact CD1-CD1 4.27Å; S512-L514 PolarHBondContact O-N 3.29Å; S512-L514 PolarHBondContact OG-O 3.18Å; L514-I516 HydrophobicContact CD1-CD1 3.95Å; L514-I516 HydrophobicContact CD1-CG1 3.89Å; L514-I516 HydrophobicContact CD2-CD1 4.14Å; L514-I516 HydrophobicContact CG-CD1 3.95Å; L514-I516 HydrophobicContact CG-CG1 4.01Å; L514-G527 CarbonylContact O-C 3.42Å; L514-G527 WeakPolarHBondContact O-CA 3.47Å; L514-A533 HydrophobicContact CB-CB 4.05Å; L514-F536 HydrophobicContact CB-CZ 4.28Å; L514-F536 HydrophobicContact CD2-CE2 4.19Å; L514-F536 HydrophobicContact CD2-CZ 3.66Å
515C95.7Very high84Confident0 Ų050.4 Ų50.40%030%0.301CS..EExtended strand (participates in β ladder)trans-84.6123180-1680000111.1G486 I487 K498 P511 D525G486-C515 WeakPolarHBondContact CA-O 3.41Å; I487-C515 PolarHBondContact N-O 3.43Å; K498-C515 HydrophobicContact CG-CB 4.3Å; P511-C515 HydrophobicContact CB-CB 4.28Å; C515-D525 WeakPolarHBondContact CA-OD1 3.46Å; C515-D525 PolarHBondContact SG-OD2 2.88Å; C515-D525 VanDerWaalsContact SG-OD2 3.4Å
516I96.1Very high84.9Confident0 Ų050.5 Ų50.50%030%0.302CS..EExtended strand (participates in β ladder)trans-134.9120.7177.9-50.7-179.2000109.3L444 M445 I487 L514 D518 D525 V526L444-I516 HydrophobicContact CB-CG2 4.04Å; L444-I516 HydrophobicContact CD1-CG2 3.74Å; M445-I516 HydrophobicContact CG-CD1 3.91Å; I487-I516 HydrophobicContact CB-CB 4.44Å; I487-I516 HydrophobicContact CB-CG1 4.2Å; I487-I516 HydrophobicContact CB-CG2 4.19Å; I487-I516 HydrophobicContact CD1-CD1 4.49Å; I487-I516 HydrophobicContact CD1-CG1 4.24Å; I487-I516 HydrophobicContact CG2-CG2 4.31Å; L514-I516 HydrophobicContact CD1-CD1 3.95Å; L514-I516 HydrophobicContact CD1-CG1 3.89Å; L514-I516 HydrophobicContact CD2-CD1 4.14Å; L514-I516 HydrophobicContact CG-CD1 3.95Å; L514-I516 HydrophobicContact CG-CG1 4.01Å; I516-D518 PolarHBondContact O-N 2.89Å; I516-D525 PolarHBondContact N-OD1 3.14Å; I516-D525 WeakPolarHBondContact O-CA 3.4Å; I516-V526 HydrophobicContact CB-CB 4.19Å; I516-V526 HydrophobicContact CG2-CB 4.41Å; I516-V526 PolarHBondContact O-N 3.37Å
517E94.1Very high86.2Confident27 Ų2745.6 Ų45.613%0.12627%0.272CS..BIsolated β-bridgetrans-66.6127.6172.5-68.8-176.617200110.8I487 R488 V501 P519I487-E517 PolarHBondContact O-N 3.28Å; R488-E517 WeakPolarHBondContact CB-OE2 3.43Å; R488-E517 VanDerWaalsContact CG-OE2 3.27Å; R488-E517 WeakPolarHBondContact CG-OE2 3.36Å; R488-E517 IonicContact CZ-OE1 3.61Å; R488-E517 IonicContact CZ-OE2 3.2Å; R488-E517 IonicContact NE-OE1 2.74Å; R488-E517 PolarHBondContact NE-OE1 3.06Å; R488-E517 IonicContact NE-OE2 3.65Å; R488-E517 PolarHBondContact NE-OE2 2.91Å; R488-E517 IonicContact NH2-OE1 2.8Å; R488-E517 PolarHBondContact NH2-OE1 2.85Å; R488-E517 IonicContact NH2-OE2 2.7Å; V501-E517 HydrophobicContact CG1-CG 3.95Å; V501-E517 HydrophobicContact CG2-CG 4.25Å; E517-P519 WeakPolarHBondContact O-CD 3.34Å
518D92.5Very high87.9Confident13 Ų1341.6 Ų41.67%0.0725%0.245CC..  trans-72.5116.1175.9-165.7-39.2000111.1I516 L520 L521 N524 V526I516-D518 PolarHBondContact O-N 2.89Å; D518-L520 PolarHBondContact O-N 2.85Å; D518-L520 VanDerWaalsContact O-N 3.15Å; D518-L520 PolarHBondContact OD1-N 2.96Å; D518-L521 HydrophobicContact CB-CB 4.24Å; D518-L521 PolarHBondContact O-N 3.5Å; D518-L521 PolarHBondContact OD1-N 3.03Å; D518-N524 HydrophobicContact CB-CB 3.81Å; D518-N524 PolarHBondContact N-O 3.48Å; D518-N524 VanDerWaalsContact N-O 3.16Å; D518-N524 PolarHBondContact OD2-ND2 3.01Å; D518-V526 VanDerWaalsContact CA-CG2 3.49Å; D518-V526 HydrophobicContact CB-CG2 3.43Å; D518-V526 VanDerWaalsContact CB-CG2 3.43Å
519P92.6Very high89.4Confident43 Ų4338.5 Ų38.528%0.27921%0.213SC..THydrogen-bonded Turntrans-70.8-7.3-178.730.2-35000113.5F402 Y440 L444 E517F402-P519 HydrophobicContact CD1-CG 4.31Å; F402-P519 HydrophobicContact CE1-CB 4.29Å; F402-P519 HydrophobicContact CE1-CG 3.56Å; F402-P519 HydrophobicContact CE2-CB 3.85Å; F402-P519 HydrophobicContact CE2-CG 4Å; F402-P519 HydrophobicContact CZ-CB 3.59Å; F402-P519 HydrophobicContact CZ-CG 3.38Å; Y440-P519 WeakPolarHBondContact OH-CG 3.38Å; L444-P519 HydrophobicContact CD2-CG 4.2Å; E517-P519 WeakPolarHBondContact O-CD 3.34Å
520L91.3Very high90.6Very high71 Ų7132.9 Ų32.937%0.37219%0.191SC..THydrogen-bonded Turntrans-114.1-12.3179.1-60.6179.2000113.6K398 A399 F402 D518K398-L520 HydrophobicContact CB-CD1 4.1Å; A399-L520 VanDerWaalsContact CA-CD1 3.49Å; A399-L520 HydrophobicContact CB-CD1 4.02Å; F402-L520 HydrophobicContact CB-CD1 4.11Å; F402-L520 HydrophobicContact CB-CD2 4.27Å; F402-L520 HydrophobicContact CD2-CD2 4.12Å; F402-L520 HydrophobicContact CG-CD1 4.46Å; F402-L520 HydrophobicContact CG-CD2 4.31Å; F402-L520 HydrophobicContact CG-CG 4.5Å; D518-L520 PolarHBondContact O-N 2.85Å; D518-L520 VanDerWaalsContact O-N 3.15Å; D518-L520 PolarHBondContact OD1-N 2.96Å
521L88.4Confident91.3Very high51 Ų5134.5 Ų34.527%0.26719%0.185SC..SBendtrans-141.585.3-179.7-174.760.1000111D518 G523 N524D518-L521 HydrophobicContact CB-CB 4.24Å; D518-L521 PolarHBondContact O-N 3.5Å; D518-L521 PolarHBondContact OD1-N 3.03Å; L521-G523 PolarHBondContact O-N 3.47Å; L521-N524 HydrophobicContact CB-CB 4.14Å; L521-N524 HydrophobicContact CD2-CB 3.93Å; L521-N524 HydrophobicContact CG-CB 3.93Å; L521-N524 VanDerWaalsContact O-CB 3.27Å; L521-N524 WeakPolarHBondContact O-CB 3.46Å; L521-N524 PolarHBondContact O-N 3.28Å
522P86.5Confident91.9Very high117 Ų11734.3 Ų34.376%0.7619%0.188SC*.THydrogen-bonded Turntrans-50.4135.9179.9-28.636000113N524P522-N524 VanDerWaalsContact C-N 3.33Å
523G85.8Confident92Very high15 Ų1533.5 Ų33.516%0.15518%0.182CC..THydrogen-bonded Turntrans81.6-0.1-176.600000115.7T504 M505 L521T504-G523 WeakPolarHBondContact O-CA 3.33Å; M505-G523 WeakPolarHBondContact CG-O 3.36Å; L521-G523 PolarHBondContact O-N 3.47Å
524N89Confident92.1Very high16 Ų1634.6 Ų34.69%0.08619%0.187CC..  trans-89.2141.4169.9178.156.6000112.3D518 L521 P522 S654D518-N524 HydrophobicContact CB-CB 3.81Å; D518-N524 PolarHBondContact N-O 3.48Å; D518-N524 VanDerWaalsContact N-O 3.16Å; D518-N524 PolarHBondContact OD2-ND2 3.01Å; L521-N524 HydrophobicContact CB-CB 4.14Å; L521-N524 HydrophobicContact CD2-CB 3.93Å; L521-N524 HydrophobicContact CG-CB 3.93Å; L521-N524 VanDerWaalsContact O-CB 3.27Å; L521-N524 WeakPolarHBondContact O-CB 3.46Å; L521-N524 PolarHBondContact O-N 3.28Å; P522-N524 VanDerWaalsContact C-N 3.33Å; N524-S654 WeakPolarHBondContact ND2-CB 3.46Å; N524-S654 PolarHBondContact ND2-OG 3.41Å
525D92.3Very high92.1Very high1 Ų139.3 Ų39.31%0.00521%0.209CC..BIsolated β-bridgetrans-101.2107.9171.2-171.3-8.9000110M505 S512 C515 I516 G527 R528M505-D525 HydrophobicContact CE-CB 3.61Å; S512-D525 VanDerWaalsContact CB-OD2 3.29Å; S512-D525 WeakPolarHBondContact CB-OD2 3.25Å; S512-D525 PolarHBondContact N-OD2 3.07Å; S512-D525 VanDerWaalsContact N-OD2 3.08Å; S512-D525 PolarHBondContact OG-OD2 3.13Å; C515-D525 WeakPolarHBondContact CA-OD1 3.46Å; C515-D525 PolarHBondContact SG-OD2 2.88Å; C515-D525 VanDerWaalsContact SG-OD2 3.4Å; I516-D525 PolarHBondContact N-OD1 3.14Å; I516-D525 WeakPolarHBondContact O-CA 3.4Å; D525-G527 VanDerWaalsContact C-N 3.25Å; D525-G527 PolarHBondContact O-N 3.05Å; D525-G527 PolarHBondContact OD1-N 3.02Å; D525-G527 VanDerWaalsContact OD1-N 3.07Å; D525-R528 HydrophobicContact CB-CB 4.23Å; D525-R528 WeakPolarHBondContact O-CB 3.17Å; D525-R528 PolarHBondContact O-N 3.26Å
526V92.2Very high92Very high15 Ų1539.4 Ų39.49%0.09121%0.21CC..THydrogen-bonded Turntrans-70-22.5-177.5-173.30000112.3Y440 S441 L444 I516 D518Y440-V526 HydrophobicContact CD1-CG1 3.46Å; Y440-V526 VanDerWaalsContact CD1-CG1 3.46Å; Y440-V526 HydrophobicContact CE1-CG1 3.95Å; Y440-V526 HydrophobicContact CE1-CG2 4.21Å; Y440-V526 HydrophobicContact CG-CG1 4.3Å; S441-V526 PolarHBondContact OG-O 3.35Å; S441-V526 VanDerWaalsContact OG-O 3.07Å; L444-V526 HydrophobicContact CD1-CB 4.25Å; L444-V526 HydrophobicContact CD1-CG1 4.08Å; L444-V526 HydrophobicContact CD1-CG2 4Å; I516-V526 HydrophobicContact CB-CB 4.19Å; I516-V526 HydrophobicContact CG2-CB 4.41Å; I516-V526 PolarHBondContact O-N 3.37Å; D518-V526 VanDerWaalsContact CA-CG2 3.49Å; D518-V526 HydrophobicContact CB-CG2 3.43Å; D518-V526 VanDerWaalsContact CB-CG2 3.43Å
527G92.9Very high92.1Very high0 Ų041.5 Ų41.50%022%0.219CC..THydrogen-bonded Turntrans-95.57.6178.400000114.3S512 L514 D525 G529 S530S512-G527 PolarHBondContact OG-O 3.48Å; L514-G527 CarbonylContact O-C 3.42Å; L514-G527 WeakPolarHBondContact O-CA 3.47Å; D525-G527 VanDerWaalsContact C-N 3.25Å; D525-G527 PolarHBondContact O-N 3.05Å; D525-G527 PolarHBondContact OD1-N 3.02Å; D525-G527 VanDerWaalsContact OD1-N 3.07Å; G527-G529 VanDerWaalsContact C-N 3.28Å; G527-G529 PolarHBondContact O-N 2.9Å; G527-S530 WeakPolarHBondContact O-CA 3.31Å; G527-S530 WeakPolarHBondContact O-CB 3.46Å; G527-S530 PolarHBondContact O-N 2.9Å
528R90.9Very high92.2Very high77 Ų7746.1 Ų46.129%0.29124%0.24SC..THydrogen-bonded Turntrans-51.3-41.4-178.3-175.3174.4-68.9-172.9-3.1114.4Y509 S512 D525 S530Y509-R528 VanDerWaalsContact CE1-NH1 3.26Å; S512-R528 PolarHBondContact OG-N 3.29Å; D525-R528 HydrophobicContact CB-CB 4.23Å; D525-R528 WeakPolarHBondContact O-CB 3.17Å; D525-R528 PolarHBondContact O-N 3.26Å; R528-S530 VanDerWaalsContact C-N 3.32Å
529G89.5Confident92.4Very high17 Ų1746.4 Ų46.418%0.17524%0.243CC..THydrogen-bonded Turntrans-76.5-14.5177.500000114.6G527 Y531G527-G529 VanDerWaalsContact C-N 3.28Å; G527-G529 PolarHBondContact O-N 2.9Å; G529-Y531 WeakPolarHBondContact O-CD1 3.32Å; G529-Y531 PolarHBondContact O-N 3.49Å
530S94Very high92.7Very high1 Ų144.4 Ų44.41%0.00723%0.23CC..  trans-81.651.9178.2-64.60000112G435 G436 G527 R528 G532 A533G435-S530 CarbonylContact O-C 3.46Å; G436-S530 WeakPolarHBondContact O-CA 3.42Å; G436-S530 VanDerWaalsContact O-CB 3.3Å; G436-S530 WeakPolarHBondContact O-CB 3.46Å; G436-S530 PolarHBondContact O-OG 3.01Å; G527-S530 WeakPolarHBondContact O-CA 3.31Å; G527-S530 WeakPolarHBondContact O-CB 3.46Å; G527-S530 PolarHBondContact O-N 2.9Å; R528-S530 VanDerWaalsContact C-N 3.32Å; S530-G532 PolarHBondContact O-N 3.01Å; S530-A533 WeakPolarHBondContact O-CB 3.5Å; S530-A533 PolarHBondContact O-N 3.32Å
531Y92.2Very high93.1Very high154 Ų15443.6 Ų43.660%0.60423%0.226SC*.THydrogen-bonded Turntrans-62.6-25.6-178.362.5-98.1000112.9F433 T434 G435 G529 A533F433-Y531 PolarHBondContact O-OH 3.36Å; T434-Y531 PolarHBondContact O-OH 2.84Å; G435-Y531 VanDerWaalsContact CA-CZ 3.43Å; G435-Y531 VanDerWaalsContact N-CZ 3.32Å; G435-Y531 PolarHBondContact N-OH 3.39Å; G529-Y531 WeakPolarHBondContact O-CD1 3.32Å; G529-Y531 PolarHBondContact O-N 3.49Å; Y531-A533 PolarHBondContact O-N 3.4Å
532G93Very high93.4Very high22 Ų2247.1 Ų47.123%0.22724%0.237CC..THydrogen-bonded Turntrans-78.216.4175.900000115G435 S530 M534 H535G435-G532 VanDerWaalsContact O-CA 3.22Å; G435-G532 WeakPolarHBondContact O-CA 3.42Å; G435-G532 PolarHBondContact O-N 2.79Å; S530-G532 PolarHBondContact O-N 3.01Å; G532-M534 PolarHBondContact O-N 3.16Å; G532-H535 VanDerWaalsContact O-CB 3.29Å; G532-H535 WeakPolarHBondContact O-CB 3.36Å; G532-H535 PolarHBondContact O-N 3.2Å
533A94.3Very high94Very high0 Ų041.6 Ų41.60%020%0.2CC..Hα-helixtrans-56.4-29.8-168.300000116.4Y482 M513 L514 S530 Y531 H535 F536 K537Y482-A533 HydrophobicContact CD1-CB 4.25Å; Y482-A533 HydrophobicContact CE1-CB 4.38Å; M513-A533 HydrophobicContact CB-CB 3.98Å; M513-A533 HydrophobicContact CG-CB 3.74Å; L514-A533 HydrophobicContact CB-CB 4.05Å; S530-A533 WeakPolarHBondContact O-CB 3.5Å; S530-A533 PolarHBondContact O-N 3.32Å; Y531-A533 PolarHBondContact O-N 3.4Å; A533-H535 PolarHBondContact O-N 3.02Å; A533-F536 VanDerWaalsContact CA-CE1 3.44Å; A533-F536 HydrophobicContact CB-CE1 3.9Å; A533-F536 HydrophobicContact CB-CE2 3.67Å; A533-F536 HydrophobicContact CB-CZ 3.28Å; A533-F536 VanDerWaalsContact O-CD2 3.31Å; A533-F536 WeakPolarHBondContact O-CD2 3.47Å; A533-F536 PolarHBondContact O-N 3.18Å; A533-K537 WeakPolarHBondContact O-CB 3.43Å; A533-K537 PolarHBondContact O-N 3.45Å
534M95.3Very high94.5Very high86 Ų8642.7 Ų42.742%0.42420%0.2SC..Hα-helixtrans-65.3-23.9174.7-65.3-57.1-65.500112.9M513 G532 K537 Q538M513-M534 HydrophobicContact CE-CG 4.28Å; M513-M534 HydrophobicContact CG-CG 4.31Å; M513-M534 HydrophobicContact SD-CG 4.29Å; M513-M534 HydrophobicContact SD-SD 4.28Å; G532-M534 PolarHBondContact O-N 3.16Å; M534-K537 HydrophobicContact CE-CD 3.98Å; M534-K537 HydrophobicContact SD-CD 4.16Å; M534-Q538 WeakPolarHBondContact O-CG 3.44Å; M534-Q538 PolarHBondContact O-N 3.25Å
535H95Very high94.8Very high99 Ų9945.1 Ų45.146%0.45822%0.216SC..Hα-helixtrans-75.7-48.4175.8-17446.5000111.9G532 A533 K537 Q538 V539G532-H535 VanDerWaalsContact O-CB 3.29Å; G532-H535 WeakPolarHBondContact O-CB 3.36Å; G532-H535 PolarHBondContact O-N 3.2Å; A533-H535 PolarHBondContact O-N 3.02Å; H535-K537 VanDerWaalsContact C-N 3.27Å; H535-K537 PolarHBondContact O-N 3.24Å; H535-Q538 WeakPolarHBondContact O-CB 3.37Å; H535-Q538 PolarHBondContact O-N 2.96Å; H535-Q538 VanDerWaalsContact O-N 3.17Å; H535-V539 WeakPolarHBondContact O-CG2 3.47Å; H535-V539 PolarHBondContact O-N 2.83Å; H535-V539 VanDerWaalsContact O-N 3.09Å
536F94.4Very high94.9Very high2 Ų246.5 Ų46.51%0.00922%0.224CC..Hα-helixtrans-67.7-26.9174.857.4-116.9000112.7L424 L429 I437 Y482 L514 A533 V539 F540L424-F536 HydrophobicContact CD2-CB 4.41Å; L429-F536 HydrophobicContact CD1-CB 4.42Å; I437-F536 HydrophobicContact CB-CD1 4.29Å; I437-F536 HydrophobicContact CB-CE1 4.07Å; I437-F536 HydrophobicContact CD1-CD1 3.98Å; I437-F536 HydrophobicContact CD1-CD2 3.74Å; I437-F536 HydrophobicContact CD1-CE1 3.68Å; I437-F536 HydrophobicContact CD1-CE2 3.45Å; I437-F536 VanDerWaalsContact CD1-CE2 3.45Å; I437-F536 HydrophobicContact CD1-CG 4Å; I437-F536 HydrophobicContact CD1-CZ 3.41Å; I437-F536 VanDerWaalsContact CD1-CZ 3.41Å; I437-F536 HydrophobicContact CG1-CD1 4.05Å; I437-F536 HydrophobicContact CG1-CE1 3.48Å; I437-F536 VanDerWaalsContact CG1-CE1 3.48Å; I437-F536 HydrophobicContact CG1-CE2 4.13Å; I437-F536 HydrophobicContact CG1-CZ 3.53Å; Y482-F536 HydrophobicContact CE1-CE2 4.01Å; L514-F536 HydrophobicContact CB-CZ 4.28Å; L514-F536 HydrophobicContact CD2-CE2 4.19Å; L514-F536 HydrophobicContact CD2-CZ 3.66Å; A533-F536 VanDerWaalsContact CA-CE1 3.44Å; A533-F536 HydrophobicContact CB-CE1 3.9Å; A533-F536 HydrophobicContact CB-CE2 3.67Å; A533-F536 HydrophobicContact CB-CZ 3.28Å; A533-F536 VanDerWaalsContact O-CD2 3.31Å; A533-F536 WeakPolarHBondContact O-CD2 3.47Å; A533-F536 PolarHBondContact O-N 3.18Å; F536-V539 PolarHBondContact O-N 2.79Å; F536-F540 HydrophobicContact CB-CE2 4.38Å; F536-F540 HydrophobicContact CB-CZ 4.41Å; F536-F540 HydrophobicContact CD2-CD2 4.3Å; F536-F540 AromaticContact CD2-CE2 3.71Å; F536-F540 HydrophobicContact CD2-CE2 3.71Å; F536-F540 HydrophobicContact CD2-CZ 4.35Å; F536-F540 HydrophobicContact CE2-CE2 4.46Å; F536-F540 HydrophobicContact CG-CE2 4.41Å; F536-F540 WeakPolarHBondContact O-CB 3.39Å; F536-F540 VanDerWaalsContact O-CD2 3.32Å; F536-F540 WeakPolarHBondContact O-CD2 3.26Å; F536-F540 WeakPolarHBondContact O-CG 3.25Å; F536-F540 PolarHBondContact O-N 2.94Å
537K97.3Very high95Very high44 Ų4445.8 Ų45.819%0.19122%0.22CC..Hα-helixtrans-56-49.4167.6-174.6-174.5-160.8-62.20112G477 R478 Y482 A533 M534 H535 V539 F540 D541G477-K537 WeakPolarHBondContact CA-O 3.32Å; G477-K537 WeakPolarHBondContact O-CG 3.18Å; G477-K537 PolarHBondContact O-NZ 3.46Å; R478-K537 PolarHBondContact O-NZ 3.14Å; R478-K537 VanDerWaalsContact O-NZ 3.1Å; Y482-K537 HydrophobicContact CD2-CD 3.65Å; Y482-K537 HydrophobicContact CD2-CG 4.19Å; Y482-K537 HydrophobicContact CE2-CB 4.03Å; Y482-K537 HydrophobicContact CE2-CD 3.77Å; Y482-K537 HydrophobicContact CE2-CG 3.77Å; A533-K537 WeakPolarHBondContact O-CB 3.43Å; A533-K537 PolarHBondContact O-N 3.45Å; M534-K537 HydrophobicContact CE-CD 3.98Å; M534-K537 HydrophobicContact SD-CD 4.16Å; H535-K537 VanDerWaalsContact C-N 3.27Å; H535-K537 PolarHBondContact O-N 3.24Å; K537-V539 VanDerWaalsContact C-N 3.3Å; K537-V539 PolarHBondContact O-N 3.45Å; K537-F540 PolarHBondContact O-N 3.21Å; K537-D541 PolarHBondContact O-N 2.96Å
538Q97.4Very high95Very high124 Ų12447 Ų4758%0.57923%0.229SC*.Hα-helixtrans-60.6-40.3176.2-68.8164.1-14.800111.8M534 H535 D541 Y542M534-Q538 WeakPolarHBondContact O-CG 3.44Å; M534-Q538 PolarHBondContact O-N 3.25Å; H535-Q538 WeakPolarHBondContact O-CB 3.37Å; H535-Q538 PolarHBondContact O-N 2.96Å; H535-Q538 VanDerWaalsContact O-N 3.17Å; Q538-D541 PolarHBondContact O-N 2.97Å; Q538-Y542 PolarHBondContact O-N 3.09Å
539V97Very high95Very high20 Ų2047.6 Ų47.612%0.12123%0.234CC..Hα-helixtrans-70.5-33.2-179.8171.40000111.9F423 L429 H535 F536 K537 A543F423-V539 HydrophobicContact CE1-CG1 3.63Å; F423-V539 HydrophobicContact CZ-CG1 3.47Å; F423-V539 VanDerWaalsContact CZ-CG1 3.47Å; L429-V539 HydrophobicContact CD1-CB 4.34Å; L429-V539 HydrophobicContact CD1-CG1 4.21Å; L429-V539 HydrophobicContact CD1-CG2 4.08Å; H535-V539 WeakPolarHBondContact O-CG2 3.47Å; H535-V539 PolarHBondContact O-N 2.83Å; H535-V539 VanDerWaalsContact O-N 3.09Å; F536-V539 PolarHBondContact O-N 2.79Å; K537-V539 VanDerWaalsContact C-N 3.3Å; K537-V539 PolarHBondContact O-N 3.45Å; V539-A543 PolarHBondContact O-N 3.36Å; V539-A543 VanDerWaalsContact O-N 3.09Å
540F98.4Very high94.9Very high0 Ų047.4 Ų47.40%023%0.231CC..Hα-helixtrans-68.9-41.9170.3-64.8-28.9000112.4F423 L424 I437 M445 F472 F473 F536 K537 Y542 A543 Y544F423-F540 HydrophobicContact CD1-CD1 4.49Å; F423-F540 HydrophobicContact CD1-CE1 4.27Å; F423-F540 AromaticContact CE1-CD1 3.75Å; F423-F540 HydrophobicContact CE1-CD1 3.75Å; F423-F540 AromaticContact CE1-CE1 3.91Å; F423-F540 HydrophobicContact CE1-CE1 3.91Å; L424-F540 HydrophobicContact CD2-CE1 3.97Å; L424-F540 HydrophobicContact CD2-CZ 4.26Å; I437-F540 HydrophobicContact CD1-CE2 4.36Å; I437-F540 HydrophobicContact CD1-CZ 4.24Å; M445-F540 HydrophobicContact CE-CE2 4.29Å; F472-F540 HydrophobicContact CE1-CE1 4.49Å; F472-F540 HydrophobicContact CE1-CZ 4.44Å; F473-F540 HydrophobicContact CD1-CB 4.01Å; F473-F540 AromaticContact CD1-CD1 3.65Å; F473-F540 HydrophobicContact CD1-CD1 3.65Å; F473-F540 HydrophobicContact CD1-CE1 4.48Å; F473-F540 HydrophobicContact CD1-CG 4.1Å; F473-F540 AromaticContact CE1-CD1 3.65Å; F473-F540 HydrophobicContact CE1-CD1 3.65Å; F473-F540 HydrophobicContact CE1-CE1 4.18Å; F536-F540 HydrophobicContact CB-CE2 4.38Å; F536-F540 HydrophobicContact CB-CZ 4.41Å; F536-F540 HydrophobicContact CD2-CD2 4.3Å; F536-F540 AromaticContact CD2-CE2 3.71Å; F536-F540 HydrophobicContact CD2-CE2 3.71Å; F536-F540 HydrophobicContact CD2-CZ 4.35Å; F536-F540 HydrophobicContact CE2-CE2 4.46Å; F536-F540 HydrophobicContact CG-CE2 4.41Å; F536-F540 WeakPolarHBondContact O-CB 3.39Å; F536-F540 VanDerWaalsContact O-CD2 3.32Å; F536-F540 WeakPolarHBondContact O-CD2 3.26Å; F536-F540 WeakPolarHBondContact O-CG 3.25Å; F536-F540 PolarHBondContact O-N 2.94Å; K537-F540 PolarHBondContact O-N 3.21Å; F540-Y542 VanDerWaalsContact C-N 3.33Å; F540-Y542 PolarHBondContact O-N 2.89Å; F540-A543 PolarHBondContact O-N 3.41Å; F540-A543 VanDerWaalsContact O-N 3.14Å; F540-Y544 PolarHBondContact O-N 3.38Å
541D98.3Very high94.8Very high55 Ų5548.5 Ų48.529%0.29424%0.238SC..Hα-helixtrans-61.6-40.4174.2-178.621.5000112.2R478 K537 Q538 Y544 T545R478-D541 IonicContact CZ-OD1 3.87Å; R478-D541 IonicContact NE-OD1 2.68Å; R478-D541 PolarHBondContact NE-OD1 2.87Å; R478-D541 IonicContact NH2-OD1 3.3Å; R478-D541 PolarHBondContact NH2-OD1 2.77Å; K537-D541 PolarHBondContact O-N 2.96Å; Q538-D541 PolarHBondContact O-N 2.97Å; D541-Y544 PolarHBondContact O-N 3.23Å; D541-T545 WeakPolarHBondContact O-CB 3.22Å; D541-T545 PolarHBondContact O-N 2.87Å; D541-T545 PolarHBondContact O-OG1 3.21Å
542Y96.7Very high94.6Very high125 Ų12543.9 Ų43.949%0.4923%0.226SC..Hα-helixtrans-58-48170.2172.1-94.4000111.8Q538 F540 T545 V546Q538-Y542 PolarHBondContact O-N 3.09Å; F540-Y542 VanDerWaalsContact C-N 3.33Å; F540-Y542 PolarHBondContact O-N 2.89Å; Y542-T545 PolarHBondContact O-N 2.71Å; Y542-V546 HydrophobicContact CD1-CG2 4.38Å; Y542-V546 HydrophobicContact CD2-CG2 4.24Å; Y542-V546 HydrophobicContact CE1-CG2 3.94Å; Y542-V546 HydrophobicContact CE2-CG2 3.79Å; Y542-V546 WeakPolarHBondContact O-CG2 3.4Å; Y542-V546 PolarHBondContact O-N 3.01Å
543A97.1Very high93.8Very high0 Ų048 Ų480%025%0.248CC..Hα-helixtrans-63.8-42.9179.700000112.7F423 F473 V539 F540 T545 V546 L547 I570F423-A543 HydrophobicContact CE2-CB 3.69Å; F423-A543 HydrophobicContact CZ-CB 3.61Å; F473-A543 HydrophobicContact CD1-CB 3.8Å; F473-A543 HydrophobicContact CD2-CB 3.88Å; F473-A543 HydrophobicContact CE1-CB 3.78Å; F473-A543 HydrophobicContact CE2-CB 3.85Å; F473-A543 HydrophobicContact CG-CB 3.86Å; F473-A543 HydrophobicContact CZ-CB 3.8Å; V539-A543 PolarHBondContact O-N 3.36Å; V539-A543 VanDerWaalsContact O-N 3.09Å; F540-A543 PolarHBondContact O-N 3.41Å; F540-A543 VanDerWaalsContact O-N 3.14Å; A543-T545 VanDerWaalsContact C-N 3.35Å; A543-T545 PolarHBondContact O-N 3.33Å; A543-V546 PolarHBondContact O-N 3.46Å; A543-L547 WeakPolarHBondContact O-CB 3.48Å; A543-L547 WeakPolarHBondContact O-CG 3.42Å; A543-L547 PolarHBondContact O-N 2.89Å; A543-I570 HydrophobicContact CB-CD1 4.39Å; A543-I570 HydrophobicContact CB-CG2 4.14Å
544Y98Very high92.8Very high38 Ų3853.3 Ų53.315%0.14928%0.276CS..Hα-helixtrans-55.2-50171.7171.9-99.1000111.5I470 E474 F540 D541 V546 L547 S548I470-Y544 HydrophobicContact CG2-CD2 3.79Å; I470-Y544 HydrophobicContact CG2-CE2 3.69Å; I470-Y544 WeakPolarHBondContact O-CD2 3.32Å; E474-Y544 HydrophobicContact CB-CD2 3.44Å; E474-Y544 VanDerWaalsContact CB-CD2 3.44Å; E474-Y544 HydrophobicContact CB-CE2 3.4Å; E474-Y544 HydrophobicContact CB-CG 4.23Å; E474-Y544 HydrophobicContact CG-CD2 3.77Å; E474-Y544 HydrophobicContact CG-CE1 4.22Å; E474-Y544 HydrophobicContact CG-CE2 3.35Å; E474-Y544 HydrophobicContact CG-CG 4.33Å; E474-Y544 WeakPolarHBondContact OE2-CE2 3.27Å; E474-Y544 VanDerWaalsContact OE2-CZ 3.24Å; E474-Y544 PolarHBondContact OE2-OH 2.72Å; F540-Y544 PolarHBondContact O-N 3.38Å; D541-Y544 PolarHBondContact O-N 3.23Å; Y544-V546 PolarHBondContact O-N 3.42Å; Y544-L547 PolarHBondContact O-N 3.01Å; Y544-S548 VanDerWaalsContact CE2-OG 3.27Å; Y544-S548 WeakPolarHBondContact CE2-OG 3.32Å; Y544-S548 WeakPolarHBondContact O-CB 3.42Å; Y544-S548 PolarHBondContact O-N 3.5Å; Y544-S548 PolarHBondContact O-OG 2.98Å
545T95.2Very high91.6Very high67 Ų6750.4 Ų50.441%0.41127%0.266SS..Hα-helixtrans-62.3-45.3-177.1-58.50000111.3R478 D541 Y542 A543 H549R478-T545 PolarHBondContact NH2-OG1 2.78Å; D541-T545 WeakPolarHBondContact O-CB 3.22Å; D541-T545 PolarHBondContact O-N 2.87Å; D541-T545 PolarHBondContact O-OG1 3.21Å; Y542-T545 PolarHBondContact O-N 2.71Å; A543-T545 VanDerWaalsContact C-N 3.35Å; A543-T545 PolarHBondContact O-N 3.33Å; T545-H549 WeakPolarHBondContact O-CB 3.14Å; T545-H549 PolarHBondContact O-N 2.82Å; T545-H549 VanDerWaalsContact O-N 3.14Å
546V93.2Very high90.1Very high31 Ų3152.6 Ų52.619%0.18827%0.274CS..Hα-helixtrans-65.8-48.4179.2169.60000111.8Y542 A543 Y544 A550 R569 I570Y542-V546 HydrophobicContact CD1-CG2 4.38Å; Y542-V546 HydrophobicContact CD2-CG2 4.24Å; Y542-V546 HydrophobicContact CE1-CG2 3.94Å; Y542-V546 HydrophobicContact CE2-CG2 3.79Å; Y542-V546 WeakPolarHBondContact O-CG2 3.4Å; Y542-V546 PolarHBondContact O-N 3.01Å; A543-V546 PolarHBondContact O-N 3.46Å; Y544-V546 PolarHBondContact O-N 3.42Å; V546-A550 VanDerWaalsContact O-CB 3.25Å; V546-A550 WeakPolarHBondContact O-CB 3.33Å; V546-A550 PolarHBondContact O-N 3.42Å; V546-R569 HydrophobicContact CG1-CB 3.56Å; V546-I570 HydrophobicContact CB-CG2 4.01Å; V546-I570 HydrophobicContact CG1-CG2 3.75Å
547L94.4Very high88.4Confident0 Ų057 Ų570%031%0.305CS..Hα-helixtrans-67.6-44.7-179.5-72.1-178.6000111.9L276 L469 I470 F473 A543 Y544 H549 A550 V551 T566 I570L276-L547 HydrophobicContact CD1-CD2 4.16Å; L276-L547 HydrophobicContact CD2-CD1 4.28Å; L276-L547 HydrophobicContact CD2-CD2 4.25Å; L469-L547 HydrophobicContact CD2-CD1 3.95Å; L469-L547 HydrophobicContact CG-CD1 4.11Å; I470-L547 HydrophobicContact CD1-CB 4.13Å; I470-L547 HydrophobicContact CG1-CB 3.82Å; I470-L547 HydrophobicContact CG1-CD1 4.11Å; F473-L547 HydrophobicContact CD2-CD1 3.91Å; F473-L547 HydrophobicContact CE2-CD1 3.85Å; A543-L547 WeakPolarHBondContact O-CB 3.48Å; A543-L547 WeakPolarHBondContact O-CG 3.42Å; A543-L547 PolarHBondContact O-N 2.89Å; Y544-L547 PolarHBondContact O-N 3.01Å; L547-H549 VanDerWaalsContact C-N 3.34Å; L547-H549 PolarHBondContact O-N 2.79Å; L547-A550 PolarHBondContact O-N 2.8Å; L547-V551 WeakPolarHBondContact O-CG2 3.46Å; L547-V551 PolarHBondContact O-N 2.5Å; L547-T566 HydrophobicContact CD2-CG2 4.14Å; L547-I570 HydrophobicContact CD1-CD1 3.73Å; L547-I570 HydrophobicContact CD2-CD1 4.26Å; L547-I570 HydrophobicContact CD2-CG1 4.21Å; L547-I570 HydrophobicContact CD2-CG2 4.47Å; L547-I570 HydrophobicContact CG-CD1 4.07Å; L547-I570 HydrophobicContact CG-CG1 4.42Å; L547-I570 HydrophobicContact CG-CG2 4.27Å
548S94Very high86.6Confident26 Ų2661.6 Ų61.618%0.18232%0.322CS..Hα-helixtrans-60.1-43.3179.6-60.40000111.8Y544 T552Y544-S548 VanDerWaalsContact CE2-OG 3.27Å; Y544-S548 WeakPolarHBondContact CE2-OG 3.32Å; Y544-S548 WeakPolarHBondContact O-CB 3.42Å; Y544-S548 PolarHBondContact O-N 3.5Å; Y544-S548 PolarHBondContact O-OG 2.98Å; S548-T552 PolarHBondContact O-N 2.99Å; S548-T552 PolarHBondContact O-OG1 3.41Å
549H90.1Very high84.5Confident88 Ų8862 Ų6241%0.40734%0.335SS..Hα-helixtrans-62.6-45.7172.2-175.3-99.9000111.4T545 L547 V551 T552 Y558T545-H549 WeakPolarHBondContact O-CB 3.14Å; T545-H549 PolarHBondContact O-N 2.82Å; T545-H549 VanDerWaalsContact O-N 3.14Å; L547-H549 VanDerWaalsContact C-N 3.34Å; L547-H549 PolarHBondContact O-N 2.79Å; H549-V551 PolarHBondContact O-N 3.39Å; H549-T552 WeakPolarHBondContact O-CB 3.33Å; H549-T552 PolarHBondContact O-N 3Å; H549-Y558 AromaticContact CE1-CD2 3.68Å; H549-Y558 AromaticContact CE1-CE2 3.71Å; H549-Y558 AromaticContact NE2-CD2 3.84Å; H549-Y558 AromaticContact NE2-CE2 3.43Å; H549-Y558 WeakPolarHBondContact NE2-CE2 3.41Å
550A88.6Confident82.4Confident14 Ų1464.6 Ų64.612%0.11635%0.348CS..Hα-helixtrans-68-28.5-175.900000115V546 L547 T566V546-A550 VanDerWaalsContact O-CB 3.25Å; V546-A550 WeakPolarHBondContact O-CB 3.33Å; V546-A550 PolarHBondContact O-N 3.42Å; L547-A550 PolarHBondContact O-N 2.8Å; A550-T566 HydrophobicContact CB-CG2 3.89Å
551V90.5Very high80.2Confident24 Ų2471.6 Ų71.615%0.14538%0.379CS..Hα-helixtrans-85.9-12.7174.2-59.10000113.5G272 V273 L276 I470 L547 H549 T566G272-V551 WeakPolarHBondContact CA-O 3.45Å; V273-V551 HydrophobicContact CG1-CB 4.09Å; V273-V551 HydrophobicContact CG1-CG1 4.29Å; V273-V551 HydrophobicContact CG1-CG2 3.94Å; L276-V551 HydrophobicContact CB-CG1 4.16Å; L276-V551 HydrophobicContact CD2-CG1 4.01Å; I470-V551 HydrophobicContact CD1-CG1 4.05Å; I470-V551 HydrophobicContact CD1-CG2 3.77Å; L547-V551 WeakPolarHBondContact O-CG2 3.46Å; L547-V551 PolarHBondContact O-N 2.5Å; H549-V551 PolarHBondContact O-N 3.39Å; V551-T566 HydrophobicContact CG1-CG2 4.32Å
552T87.8Confident78Confident56 Ų5675.3 Ų75.334%0.34440%0.399SS..SBendtrans-71.6140.5179.2-66.80000110.6S548 H549 L554 A555S548-T552 PolarHBondContact O-N 2.99Å; S548-T552 PolarHBondContact O-OG1 3.41Å; H549-T552 WeakPolarHBondContact O-CB 3.33Å; H549-T552 PolarHBondContact O-N 3Å; T552-L554 HydrophobicContact CG2-CB 4.15Å; T552-L554 HydrophobicContact CG2-CD1 3.72Å; T552-L554 PolarHBondContact O-N 3.4Å; T552-A555 VanDerWaalsContact O-CB 3.23Å; T552-A555 WeakPolarHBondContact O-CB 3.08Å; T552-A555 PolarHBondContact O-N 3.38Å
553P77.2Confident75.9Confident108 Ų10872.5 Ų72.570%0.70140%0.396SS*.G310 helixtrans-54.8-28.5-179.7-29.736.7000115.1A555 K556P553-A555 PolarHBondContact O-N 3.48Å; P553-K556 PolarHBondContact O-N 3.37Å
554L72.8Confident74.6Confident113 Ų11375.5 Ų75.559%0.59241%0.41SS*.G310 helixtrans-67-15175.3-7083.6000113.7T552 K556 S557T552-L554 HydrophobicContact CG2-CB 4.15Å; T552-L554 HydrophobicContact CG2-CD1 3.72Å; T552-L554 PolarHBondContact O-N 3.4Å; L554-K556 PolarHBondContact O-N 2.88Å; L554-K556 VanDerWaalsContact O-N 3.13Å; L554-S557 PolarHBondContact O-N 2.94Å; L554-S557 PolarHBondContact O-OG 3.19Å
555A69.9Low74.1Confident24 Ų2473.9 Ų73.920%0.19841%0.405CS..G310 helixtrans-55.1-33.5174.600000112T552 P553 S557 Y558T552-A555 VanDerWaalsContact O-CB 3.23Å; T552-A555 WeakPolarHBondContact O-CB 3.08Å; T552-A555 PolarHBondContact O-N 3.38Å; P553-A555 PolarHBondContact O-N 3.48Å; A555-S557 PolarHBondContact O-N 2.78Å; A555-Y558 PolarHBondContact O-N 3.39Å
556K63.6Low73.9Confident146 Ų14672.1 Ų72.164%0.63539%0.394SS*.G310 helixtrans-69-12.9178.7-60.3-178.3-179.3179.70114.3S271 P553 L554S271-K556 PolarHBondContact OG-NZ 3.06Å; P553-K556 PolarHBondContact O-N 3.37Å; L554-K556 PolarHBondContact O-N 2.88Å; L554-K556 VanDerWaalsContact O-N 3.13Å
557S59.3Low73.9Confident94 Ų9470.6 Ų70.666%0.65739%0.385SS*.G310 helixtrans-94.2-8.2176.664.70000114L554 A555L554-S557 PolarHBondContact O-N 2.94Å; L554-S557 PolarHBondContact O-OG 3.19Å; A555-S557 PolarHBondContact O-N 2.78Å
558Y58Low73.7Confident141 Ų14170.9 Ų70.955%0.55339%0.388SS*.SBendtrans-82.9148.1168.8-79.5-93000110H549 A555 N560H549-Y558 AromaticContact CE1-CD2 3.68Å; H549-Y558 AromaticContact CE1-CE2 3.71Å; H549-Y558 AromaticContact NE2-CD2 3.84Å; H549-Y558 AromaticContact NE2-CE2 3.43Å; H549-Y558 WeakPolarHBondContact NE2-CE2 3.41Å; A555-Y558 PolarHBondContact O-N 3.39Å; Y558-N560 PolarHBondContact O-N 3.38Å
559P53.3Low73.5Confident131 Ų13172.4 Ų72.485%0.85139%0.39SS*.SBendtrans-72.524.4-17932-37.5000113.9K561P559-K561 PolarHBondContact O-N 2.95Å
560N54.1Low73.6Confident75 Ų7568.3 Ų68.340%0.40137%0.371SS..  trans-89.9104.5177.4-168.1-2000109.5Y558 E564Y558-N560 PolarHBondContact O-N 3.38Å; N560-E564 VanDerWaalsContact CG-OE2 3.3Å; N560-E564 PolarHBondContact ND2-OE2 2.77Å; N560-E564 WeakPolarHBondContact OD1-CG 3.25Å; N560-E564 PolarHBondContact OD1-OE2 3.18Å; N560-E564 VanDerWaalsContact OD1-OE2 3.12Å
561K52.7Low73.8Confident148 Ų14867.7 Ų67.764%0.64337%0.365SS*.  trans-57.5147.1-165.1-60.4172.1-176.6174.90113.1P559 C563 E564P559-K561 PolarHBondContact O-N 2.95Å; K561-C563 VanDerWaalsContact CB-SG 3.6Å; K561-C563 PolarHBondContact O-N 3.27Å; K561-E564 PolarHBondContact O-N 3.12Å
562D51.4Low73.8Confident132 Ų13268.9 Ų68.971%0.70637%0.367SS*.THydrogen-bonded Turntrans-55.3-11.9176.4-65.1-88.4000115.4K265 E564K265-D562 PolarHBondContact NZ-O 3.13Å; D562-E564 VanDerWaalsContact C-N 3.31Å
563C53Low73.9Confident66 Ų6666.2 Ų66.245%0.44635%0.351SS..THydrogen-bonded Turntrans-68.5-25.5174.2610000113.2N259 K265 K561N259-C563 PolarHBondContact ND2-O 2.85Å; K265-C563 PolarHBondContact NZ-O 3.07Å; K561-C563 VanDerWaalsContact CB-SG 3.6Å; K561-C563 PolarHBondContact O-N 3.27Å
564E69.8Low74.6Confident63 Ų6361.6 Ų61.629%0.29432%0.321SS..SBendtrans-65.9141.7-178.9-83.4-153158.600113.6K265 N560 K561 D562 R569K265-E564 VanDerWaalsContact NZ-C 3.25Å; K265-E564 PolarHBondContact NZ-O 2.71Å; N560-E564 VanDerWaalsContact CG-OE2 3.3Å; N560-E564 PolarHBondContact ND2-OE2 2.77Å; N560-E564 WeakPolarHBondContact OD1-CG 3.25Å; N560-E564 PolarHBondContact OD1-OE2 3.18Å; N560-E564 VanDerWaalsContact OD1-OE2 3.12Å; K561-E564 PolarHBondContact O-N 3.12Å; D562-E564 VanDerWaalsContact C-N 3.31Å; E564-R569 VanDerWaalsContact CB-NH2 3.25Å; E564-R569 IonicContact OE2-CZ 2.76Å; E564-R569 VanDerWaalsContact OE2-CZ 3.3Å; E564-R569 IonicContact OE2-NE 2.71Å; E564-R569 PolarHBondContact OE2-NE 2.69Å; E564-R569 IonicContact OE2-NH2 2.62Å; E564-R569 PolarHBondContact OE2-NH2 2.89Å
565S87Confident75.4Confident5 Ų559 Ų594%0.03531%0.306CS..  trans-79138.2169.6165.80000109.4E279 G568 R569E279-S565 WeakPolarHBondContact OE1-CA 3.49Å; E279-S565 WeakPolarHBondContact OE1-CB 3.35Å; E279-S565 PolarHBondContact OE1-OG 2.71Å; S565-G568 PolarHBondContact O-N 3.11Å; S565-G568 WeakPolarHBondContact OG-CA 3.43Å; S565-G568 PolarHBondContact OG-N 3.47Å; S565-R569 PolarHBondContact O-N 2.58Å
566T90.4Very high76.4Confident29 Ų2962.7 Ų62.718%0.17832%0.319CS..SBendtrans-74.9-47.9-178.1-67.20000110.5L276 E279 L547 A550 V551 G568 R569L276-T566 HydrophobicContact CD1-CG2 4.12Å; E279-T566 PolarHBondContact OE1-N 3.03Å; E279-T566 WeakPolarHBondContact OE2-CA 3.48Å; E279-T566 WeakPolarHBondContact OE2-CB 3.46Å; E279-T566 PolarHBondContact OE2-N 3.45Å; L547-T566 HydrophobicContact CD2-CG2 4.14Å; A550-T566 HydrophobicContact CB-CG2 3.89Å; V551-T566 HydrophobicContact CG1-CG2 4.32Å; T566-G568 PolarHBondContact O-N 3.15Å; T566-R569 WeakPolarHBondContact O-CB 3.25Å; T566-R569 PolarHBondContact O-N 2.82Å; T566-R569 PolarHBondContact OG1-NH1 3.36Å
567L93.6Very high77.7Confident0 Ų055.8 Ų55.80%029%0.289CS..G310 helixtrans-60.2-34.7167.9-167.165.2000111W264 L276 E279 V280 F283 V419 L469 R569 I570 I571W264-L567 HydrophobicContact CZ2-CD2 4.46Å; L276-L567 HydrophobicContact CD1-CB 4.28Å; L276-L567 HydrophobicContact CD1-CD1 4.3Å; E279-L567 HydrophobicContact CG-CB 3.92Å; E279-L567 PolarHBondContact OE2-N 3.26Å; V280-L567 HydrophobicContact CG2-CD1 4.16Å; V280-L567 HydrophobicContact CG2-CD2 4.23Å; F283-L567 HydrophobicContact CB-CD2 3.54Å; F283-L567 HydrophobicContact CD1-CD2 4.15Å; F283-L567 HydrophobicContact CD2-CD2 3.91Å; F283-L567 HydrophobicContact CG-CD2 3.58Å; V419-L567 HydrophobicContact CG1-CD1 4.1Å; V419-L567 HydrophobicContact CG2-CD2 4.43Å; L469-L567 HydrophobicContact CD2-CD1 3.92Å; L567-R569 PolarHBondContact O-N 2.71Å; L567-I570 HydrophobicContact CD1-CD1 4.23Å; L567-I570 HydrophobicContact CD1-CG1 4.27Å; L567-I570 VanDerWaalsContact O-CG1 3.31Å; L567-I570 WeakPolarHBondContact O-CG1 3.12Å; L567-I570 PolarHBondContact O-N 3.04Å; L567-I571 HydrophobicContact CD1-CD1 4.11Å; L567-I571 HydrophobicContact CG-CB 4.43Å; L567-I571 HydrophobicContact CG-CD1 4.29Å; L567-I571 PolarHBondContact O-N 3.22Å
568G90.5Very high79.4Confident6 Ų652.4 Ų52.46%0.06226%0.263CS..G310 helixtrans-56.5-14.9175.500000116.6S565 T566 I571 R572S565-G568 PolarHBondContact O-N 3.11Å; S565-G568 WeakPolarHBondContact OG-CA 3.43Å; S565-G568 PolarHBondContact OG-N 3.47Å; T566-G568 PolarHBondContact O-N 3.15Å; G568-I571 CarbonylContact C-O 3.41Å; G568-I571 WeakPolarHBondContact CA-O 3.38Å; G568-R572 PolarHBondContact O-NE 3.4Å
569R89.2Confident81Confident58 Ų5851 Ų5122%0.21926%0.261CS..G310 helixtrans-81.6-23.6174.9-65173176.5122.43.1112.7V546 E564 S565 T566 L567V546-R569 HydrophobicContact CG1-CB 3.56Å; E564-R569 VanDerWaalsContact CB-NH2 3.25Å; E564-R569 IonicContact OE2-CZ 2.76Å; E564-R569 VanDerWaalsContact OE2-CZ 3.3Å; E564-R569 IonicContact OE2-NE 2.71Å; E564-R569 PolarHBondContact OE2-NE 2.69Å; E564-R569 IonicContact OE2-NH2 2.62Å; E564-R569 PolarHBondContact OE2-NH2 2.89Å; S565-R569 PolarHBondContact O-N 2.58Å; T566-R569 WeakPolarHBondContact O-CB 3.25Å; T566-R569 PolarHBondContact O-N 2.82Å; T566-R569 PolarHBondContact OG1-NH1 3.36Å; L567-R569 PolarHBondContact O-N 2.71Å
570I92.4Very high83Confident2 Ų245.7 Ų45.71%0.0123%0.225CC..THydrogen-bonded Turntrans-113.3-25.4177.164.1155.7000113.3F423 R427 F473 A543 V546 L547 L567F423-I570 HydrophobicContact CD2-CB 4.08Å; F423-I570 HydrophobicContact CD2-CD1 4.05Å; F423-I570 HydrophobicContact CD2-CG1 4.41Å; F423-I570 HydrophobicContact CE2-CB 3.97Å; F423-I570 HydrophobicContact CE2-CD1 4.31Å; R427-I570 PolarHBondContact NH1-O 3.06Å; R427-I570 PolarHBondContact NH2-O 3.23Å; F473-I570 HydrophobicContact CE2-CD1 3.6Å; F473-I570 HydrophobicContact CZ-CD1 3.87Å; A543-I570 HydrophobicContact CB-CD1 4.39Å; A543-I570 HydrophobicContact CB-CG2 4.14Å; V546-I570 HydrophobicContact CB-CG2 4.01Å; V546-I570 HydrophobicContact CG1-CG2 3.75Å; L547-I570 HydrophobicContact CD1-CD1 3.73Å; L547-I570 HydrophobicContact CD2-CD1 4.26Å; L547-I570 HydrophobicContact CD2-CG1 4.21Å; L547-I570 HydrophobicContact CD2-CG2 4.47Å; L547-I570 HydrophobicContact CG-CD1 4.07Å; L547-I570 HydrophobicContact CG-CG1 4.42Å; L547-I570 HydrophobicContact CG-CG2 4.27Å; L567-I570 HydrophobicContact CD1-CD1 4.23Å; L567-I570 HydrophobicContact CD1-CG1 4.27Å; L567-I570 VanDerWaalsContact O-CG1 3.31Å; L567-I570 WeakPolarHBondContact O-CG1 3.12Å; L567-I570 PolarHBondContact O-N 3.04Å
571I93Very high84.9Confident0 Ų042.1 Ų42.10%021%0.206CC..  trans-123.4139.6-179.5-71.1175.3000110.8W264 F283 V419 Q422 F423 L567 G568W264-I571 HydrophobicContact CH2-CG2 4.02Å; F283-I571 HydrophobicContact CD2-CG2 4.42Å; F283-I571 HydrophobicContact CE2-CG2 3.64Å; F283-I571 HydrophobicContact CZ-CD1 4.32Å; F283-I571 HydrophobicContact CZ-CG2 4.13Å; V419-I571 HydrophobicContact CB-CD1 4.3Å; V419-I571 HydrophobicContact CG1-CD1 3.68Å; V419-I571 VanDerWaalsContact O-CD1 3.23Å; V419-I571 WeakPolarHBondContact O-CD1 3.34Å; Q422-I571 HydrophobicContact CG-CG2 3.71Å; F423-I571 HydrophobicContact CB-CD1 4Å; F423-I571 HydrophobicContact CB-CG1 3.9Å; F423-I571 HydrophobicContact CD2-CG1 4.24Å; L567-I571 HydrophobicContact CD1-CD1 4.11Å; L567-I571 HydrophobicContact CG-CB 4.43Å; L567-I571 HydrophobicContact CG-CD1 4.29Å; L567-I571 PolarHBondContact O-N 3.22Å; G568-I571 CarbonylContact C-O 3.41Å; G568-I571 WeakPolarHBondContact CA-O 3.38Å
572R90.6Very high86.9Confident49 Ų4939.3 Ų39.319%0.18520%0.195CC..  trans-142.5151.8169.8-65.1-178.3-175.3155.5-1.9109.2T242 N246 W261 Q422 Q426 G568T242-R572 HydrophobicContact CG2-CB 4.11Å; N246-R572 PolarHBondContact OD1-NH1 3.12Å; W261-R572 HydrophobicContact CB-CB 4.39Å; W261-R572 HydrophobicContact CB-CG 4.47Å; Q422-R572 PolarHBondContact NE2-O 3.09Å; Q426-R572 PolarHBondContact OE1-O 3.13Å; G568-R572 PolarHBondContact O-NE 3.4Å
573L91.1Very high88.9Confident1 Ų137.9 Ų37.91%0.00518%0.18CC..  trans-107.2138170.1-67168.9000109.1W261 P263 W264 F286 M287 Q422 V577 I578W261-L573 PolarHBondContact O-N 2.7Å; P263-L573 HydrophobicContact CG-CD1 3.92Å; W264-L573 HydrophobicContact CE3-CD1 3.94Å; W264-L573 HydrophobicContact CZ3-CD1 3.72Å; W264-L573 HydrophobicContact CZ3-CG 3.92Å; F286-L573 HydrophobicContact CD1-CD1 3.93Å; F286-L573 HydrophobicContact CE1-CD1 3.61Å; M287-L573 HydrophobicContact CE-CD2 3.69Å; M287-L573 HydrophobicContact SD-CD1 3.54Å; M287-L573 VanDerWaalsContact SD-CD1 3.54Å; M287-L573 HydrophobicContact SD-CD2 3.66Å; M287-L573 HydrophobicContact SD-CG 4.23Å; Q422-L573 HydrophobicContact CG-CD2 4.25Å; L573-V577 HydrophobicContact CD2-CG1 4.24Å; L573-I578 HydrophobicContact CB-CD1 4.43Å; L573-I578 HydrophobicContact CB-CG1 4.37Å
574T90.9Very high90.9Very high10 Ų1034.8 Ų34.86%0.06116%0.158CC..  trans-75.3153.6173.655.50000110.5K239 M245 E576 V577 I578K239-T574 WeakPolarHBondContact O-CB 3.25Å; K239-T574 WeakPolarHBondContact O-CG2 3.48Å; K239-T574 PolarHBondContact O-OG1 3.13Å; M245-T574 HydrophobicContact CE-CG2 4.47Å; M245-T574 HydrophobicContact SD-CG2 3.93Å; T574-E576 VanDerWaalsContact C-N 3.25Å; T574-E576 PolarHBondContact O-N 3.45Å; T574-V577 PolarHBondContact O-N 3.28Å; T574-V577 VanDerWaalsContact O-N 3.15Å; T574-V577 VanDerWaalsContact OG1-CG2 3.24Å; T574-V577 WeakPolarHBondContact OG1-CG2 3.44Å; T574-V577 PolarHBondContact OG1-N 3.31Å; T574-I578 PolarHBondContact O-N 2.99Å
575Q88.8Confident92Very high60 Ų6034.3 Ų34.328%0.2816%0.157SC..Hα-helixtrans-59.5-38.9176.9-175.46523.700111.2W261 V577 I578 E579W261-Q575 HydrophobicContact CZ3-CB 4.09Å; Q575-V577 VanDerWaalsContact C-N 3.31Å; Q575-V577 PolarHBondContact O-N 3.31Å; Q575-I578 PolarHBondContact O-N 2.83Å; Q575-I578 VanDerWaalsContact O-N 3.07Å; Q575-E579 HydrophobicContact CG-CG 4.29Å; Q575-E579 VanDerWaalsContact CG-OE1 3.25Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.25Å; Q575-E579 PolarHBondContact NE2-OE1 2.72Å; Q575-E579 WeakPolarHBondContact O-CG 3.23Å; Q575-E579 PolarHBondContact O-N 3Å
576E90.8Very high92.4Very high101 Ų10143 Ų4347%0.47220%0.195SC..Hα-helixtrans-55-42.9174.7-63179.6-156.200112.5T574 I578 Y580T574-E576 VanDerWaalsContact C-N 3.25Å; T574-E576 PolarHBondContact O-N 3.45Å; E576-I578 VanDerWaalsContact C-N 3.35Å; E576-Y580 WeakPolarHBondContact O-CB 3.39Å; E576-Y580 PolarHBondContact O-N 3.06Å
577V92.7Very high92.6Very high1 Ų145.9 Ų45.91%0.00620%0.204CC..Hα-helixtrans-69-34.2178.2171.20000111.4K239 A240 T331 L573 T574 Q575 R581K239-V577 HydrophobicContact CB-CG2 4.31Å; A240-V577 HydrophobicContact CB-CG2 3.97Å; T331-V577 HydrophobicContact CG2-CG2 3.91Å; L573-V577 HydrophobicContact CD2-CG1 4.24Å; T574-V577 PolarHBondContact O-N 3.28Å; T574-V577 VanDerWaalsContact O-N 3.15Å; T574-V577 VanDerWaalsContact OG1-CG2 3.24Å; T574-V577 WeakPolarHBondContact OG1-CG2 3.44Å; T574-V577 PolarHBondContact OG1-N 3.31Å; Q575-V577 VanDerWaalsContact C-N 3.31Å; Q575-V577 PolarHBondContact O-N 3.31Å; V577-R581 WeakPolarHBondContact O-CG 3.48Å
578I93.1Very high92.6Very high23 Ų2346.4 Ų46.412%0.11821%0.207CC..Hα-helixtrans-70.6-51.4178.4-61.8168.2000109.8N260 P263 L573 T574 Q575 E576 Y580 R581 E582N260-I578 WeakPolarHBondContact O-CD1 3.17Å; P263-I578 HydrophobicContact CB-CD1 4.27Å; P263-I578 HydrophobicContact CG-CD1 3.75Å; P263-I578 HydrophobicContact CG-CG1 4.1Å; L573-I578 HydrophobicContact CB-CD1 4.43Å; L573-I578 HydrophobicContact CB-CG1 4.37Å; T574-I578 PolarHBondContact O-N 2.99Å; Q575-I578 PolarHBondContact O-N 2.83Å; Q575-I578 VanDerWaalsContact O-N 3.07Å; E576-I578 VanDerWaalsContact C-N 3.35Å; I578-Y580 VanDerWaalsContact C-N 3.3Å; I578-Y580 PolarHBondContact O-N 3.32Å; I578-R581 PolarHBondContact O-N 2.95Å; I578-R581 VanDerWaalsContact O-N 3.13Å; I578-E582 PolarHBondContact O-N 2.76Å
579E93.6Very high92.3Very high110 Ų11048.2 Ų48.251%0.51423%0.225SC..Hα-helixtrans-60.5-38.4180-71.7172.4178.800112.3Q575 R581 E582 W583Q575-E579 HydrophobicContact CG-CG 4.29Å; Q575-E579 VanDerWaalsContact CG-OE1 3.25Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.25Å; Q575-E579 PolarHBondContact NE2-OE1 2.72Å; Q575-E579 WeakPolarHBondContact O-CG 3.23Å; Q575-E579 PolarHBondContact O-N 3Å; E579-R581 VanDerWaalsContact C-N 3.32Å; E579-R581 PolarHBondContact O-N 3.03Å; E579-E582 PolarHBondContact O-N 2.82Å; E579-W583 VanDerWaalsContact O-CB 3.32Å; E579-W583 WeakPolarHBondContact O-CB 3.29Å; E579-W583 PolarHBondContact O-N 2.82Å
580Y94.3Very high91.4Very high20 Ų2048.6 Ų48.68%0.07825%0.247CC..Hα-helixtrans-58.2-39.8175.3-179.1-112.6000113T331 T383 E384 V385 E576 I578 W583 I584T331-Y580 HydrophobicContact CG2-CD1 4.45Å; T383-Y580 VanDerWaalsContact O-CE2 3.23Å; T383-Y580 WeakPolarHBondContact O-CE2 3.36Å; T383-Y580 PolarHBondContact O-OH 2.83Å; E384-Y580 HydrophobicContact CB-CE2 4.35Å; V385-Y580 WeakPolarHBondContact CG2-OH 3.35Å; E576-Y580 WeakPolarHBondContact O-CB 3.39Å; E576-Y580 PolarHBondContact O-N 3.06Å; I578-Y580 VanDerWaalsContact C-N 3.3Å; I578-Y580 PolarHBondContact O-N 3.32Å; Y580-W583 HydrophobicContact CD2-CE3 4.26Å; Y580-W583 HydrophobicContact CE2-CE3 4.21Å; Y580-W583 HydrophobicContact CE2-CZ3 4.12Å; Y580-I584 HydrophobicContact CD1-CD1 4.1Å; Y580-I584 HydrophobicContact CE1-CD1 3.68Å; Y580-I584 WeakPolarHBondContact O-CG1 3.37Å; Y580-I584 PolarHBondContact O-N 3.41Å; Y580-I584 VanDerWaalsContact O-N 3.07Å
581R94.3Very high89.9Confident1 Ų154.3 Ų54.30%0.00427%0.272CS..Hα-helixtrans-73.6-40.9179.6-63.3-172.385.4178.55.3113.1F286 S288 E293 P330 V577 I578 E579 W583 I584 I585F286-R581 PolarHBondContact O-NH1 2.94Å; S288-R581 PolarHBondContact O-NH2 3.19Å; E293-R581 VanDerWaalsContact CD-NH2 3.32Å; E293-R581 IonicContact OE1-CZ 3.5Å; E293-R581 VanDerWaalsContact OE1-CZ 3.3Å; E293-R581 IonicContact OE1-NE 2.72Å; E293-R581 PolarHBondContact OE1-NE 2.93Å; E293-R581 IonicContact OE1-NH2 2.83Å; E293-R581 PolarHBondContact OE1-NH2 3.15Å; E293-R581 VanDerWaalsContact OE1-NH2 3.12Å; E293-R581 IonicContact OE2-CZ 3.46Å; E293-R581 IonicContact OE2-NE 2.89Å; E293-R581 IonicContact OE2-NH2 2.77Å; E293-R581 PolarHBondContact OE2-NH2 3.47Å; P330-R581 HydrophobicContact CB-CG 3.83Å; P330-R581 HydrophobicContact CG-CG 4.3Å; P330-R581 VanDerWaalsContact CG-NE 3.31Å; V577-R581 WeakPolarHBondContact O-CG 3.48Å; I578-R581 PolarHBondContact O-N 2.95Å; I578-R581 VanDerWaalsContact O-N 3.13Å; E579-R581 VanDerWaalsContact C-N 3.32Å; E579-R581 PolarHBondContact O-N 3.03Å; R581-W583 VanDerWaalsContact C-N 3.27Å; R581-W583 PolarHBondContact O-N 3.02Å; R581-I584 PolarHBondContact O-N 3.38Å; R581-I585 PolarHBondContact O-N 3.22Å
582E93.8Very high87.7Confident89 Ų8962 Ų6242%0.41631%0.313SS..Hα-helixtrans-70.6-28.2177.5-54.7-50.912700111R290 I578 E579 K586R290-E582 IonicContact CZ-OE1 2.74Å; R290-E582 IonicContact NH1-OE1 3.71Å; R290-E582 PolarHBondContact NH1-OE1 3.34Å; R290-E582 IonicContact NH2-OE1 3.22Å; I578-E582 PolarHBondContact O-N 2.76Å; E579-E582 PolarHBondContact O-N 2.82Å; E582-K586 WeakPolarHBondContact O-CB 3.45Å; E582-K586 PolarHBondContact O-N 3.27Å
583W94.6Very high84.9Confident102 Ų10264 Ų6439%0.38634%0.335SS..Hα-helixtrans-64.3-42.7166.4174.186.5000112.7E382 E579 Y580 R581 K586 K587 W588E382-W583 WeakPolarHBondContact O-CH2 3.48Å; E579-W583 VanDerWaalsContact O-CB 3.32Å; E579-W583 WeakPolarHBondContact O-CB 3.29Å; E579-W583 PolarHBondContact O-N 2.82Å; Y580-W583 HydrophobicContact CD2-CE3 4.26Å; Y580-W583 HydrophobicContact CE2-CE3 4.21Å; Y580-W583 HydrophobicContact CE2-CZ3 4.12Å; R581-W583 VanDerWaalsContact C-N 3.27Å; R581-W583 PolarHBondContact O-N 3.02Å; W583-K586 PolarHBondContact O-N 3.45Å; W583-K587 HydrophobicContact CH2-CD 4Å; W583-K587 HydrophobicContact CZ2-CD 3.6Å; W583-K587 PolarHBondContact O-N 3.1Å; W583-W588 HydrophobicContact CE3-CZ3 4.44Å; W583-W588 AromaticContact CH2-CH2 3.97Å; W583-W588 HydrophobicContact CH2-CH2 3.97Å; W583-W588 AromaticContact CH2-CZ3 3.83Å; W583-W588 HydrophobicContact CH2-CZ3 3.83Å; W583-W588 HydrophobicContact CZ2-CZ3 4.5Å; W583-W588 HydrophobicContact CZ3-CH2 4.27Å; W583-W588 AromaticContact CZ3-CZ3 3.8Å; W583-W588 HydrophobicContact CZ3-CZ3 3.8Å
584I95.1Very high82.4Confident0 Ų069.3 Ų69.30%037%0.369CS..Hα-helixtrans-60.7-48.7173.9-66.5164.5000110.6E292 E293 M296 Y580 R581 K586 K587 W588E292-I584 HydrophobicContact CB-CG2 3.99Å; E293-I584 HydrophobicContact CB-CG2 4.49Å; E293-I584 HydrophobicContact CG-CB 4.49Å; E293-I584 HydrophobicContact CG-CD1 4.08Å; E293-I584 HydrophobicContact CG-CG2 3.89Å; M296-I584 HydrophobicContact CB-CG2 4.36Å; M296-I584 HydrophobicContact CE-CD1 3.51Å; M296-I584 HydrophobicContact CE-CG1 4.07Å; Y580-I584 HydrophobicContact CD1-CD1 4.1Å; Y580-I584 HydrophobicContact CE1-CD1 3.68Å; Y580-I584 WeakPolarHBondContact O-CG1 3.37Å; Y580-I584 PolarHBondContact O-N 3.41Å; Y580-I584 VanDerWaalsContact O-N 3.07Å; R581-I584 PolarHBondContact O-N 3.38Å; I584-K586 VanDerWaalsContact C-N 3.29Å; I584-K586 PolarHBondContact O-N 3.19Å; I584-K587 PolarHBondContact O-N 2.89Å; I584-K587 VanDerWaalsContact O-N 3.15Å; I584-W588 HydrophobicContact CB-CE3 4.39Å; I584-W588 HydrophobicContact CG1-CZ3 4.5Å; I584-W588 HydrophobicContact CG2-CE3 3.94Å; I584-W588 PolarHBondContact O-N 3.14Å
585I93.4Very high79.4Confident54 Ų5476.4 Ų76.428%0.27740%0.402SS..Hα-helixtrans-56.2-46.8176.2-69.1178.1000110.3E292 R581 K587 W588 G589E292-I585 HydrophobicContact CG-CG1 4.48Å; R581-I585 PolarHBondContact O-N 3.22Å; I585-K587 VanDerWaalsContact C-N 3.29Å; I585-K587 PolarHBondContact O-N 3.45Å; I585-W588 PolarHBondContact O-N 3.41Å; I585-G589 WeakPolarHBondContact O-CA 3.41Å; I585-G589 PolarHBondContact O-N 3.24Å
586K94.3Very high76.6Confident187 Ų18778.6 Ų78.681%0.81342%0.419SS*.Hα-helixtrans-62.6-30.8-179.9-174.2174.8173.2178.20113.9E582 W583 I584E582-K586 WeakPolarHBondContact O-CB 3.45Å; E582-K586 PolarHBondContact O-N 3.27Å; W583-K586 PolarHBondContact O-N 3.45Å; I584-K586 VanDerWaalsContact C-N 3.29Å; I584-K586 PolarHBondContact O-N 3.19Å
587K94.2Very high74Confident89 Ų8980.1 Ų80.139%0.38743%0.431SS..Hα-helixtrans-93.6-22.3-178-180172.7164.5-173.30113.9E382 W583 I584 I585E382-K587 PolarHBondContact O-NZ 3.17Å; W583-K587 HydrophobicContact CH2-CD 4Å; W583-K587 HydrophobicContact CZ2-CD 3.6Å; W583-K587 PolarHBondContact O-N 3.1Å; I584-K587 PolarHBondContact O-N 2.89Å; I584-K587 VanDerWaalsContact O-N 3.15Å; I585-K587 VanDerWaalsContact C-N 3.29Å; I585-K587 PolarHBondContact O-N 3.45Å
588W93.7Very high71Confident12 Ų1286.5 Ų86.55%0.04547%0.465CS..Hα-helixtrans-120.3-25.5-178.2-78-92.8000115.8E292 M296 E299 T383 W583 I584 I585 G590 K591E292-W588 HydrophobicContact CB-CB 3.92Å; E292-W588 HydrophobicContact CG-CB 4.47Å; M296-W588 HydrophobicContact CB-CD2 3.75Å; M296-W588 HydrophobicContact CB-CE3 4.03Å; M296-W588 HydrophobicContact CB-CG 4.24Å; M296-W588 HydrophobicContact CB-CH2 4.19Å; M296-W588 HydrophobicContact CB-CZ2 3.9Å; M296-W588 HydrophobicContact CB-CZ3 4.23Å; M296-W588 HydrophobicContact CG-CD2 4.11Å; M296-W588 HydrophobicContact CG-CE3 4.05Å; M296-W588 HydrophobicContact CG-CH2 3.44Å; M296-W588 VanDerWaalsContact CG-CH2 3.44Å; M296-W588 HydrophobicContact CG-CZ2 3.49Å; M296-W588 VanDerWaalsContact CG-CZ2 3.49Å; M296-W588 HydrophobicContact CG-CZ3 3.72Å; E299-W588 PolarHBondContact OE2-NE1 2.95Å; T383-W588 HydrophobicContact CG2-CH2 3.88Å; T383-W588 HydrophobicContact CG2-CZ2 4.18Å; W583-W588 HydrophobicContact CE3-CZ3 4.44Å; W583-W588 AromaticContact CH2-CH2 3.97Å; W583-W588 HydrophobicContact CH2-CH2 3.97Å; W583-W588 AromaticContact CH2-CZ3 3.83Å; W583-W588 HydrophobicContact CH2-CZ3 3.83Å; W583-W588 HydrophobicContact CZ2-CZ3 4.5Å; W583-W588 HydrophobicContact CZ3-CH2 4.27Å; W583-W588 AromaticContact CZ3-CZ3 3.8Å; W583-W588 HydrophobicContact CZ3-CZ3 3.8Å; I584-W588 HydrophobicContact CB-CE3 4.39Å; I584-W588 HydrophobicContact CG1-CZ3 4.5Å; I584-W588 HydrophobicContact CG2-CE3 3.94Å; I584-W588 PolarHBondContact O-N 3.14Å; I585-W588 PolarHBondContact O-N 3.41Å; W588-G590 PolarHBondContact O-N 2.87Å; W588-K591 PolarHBondContact O-N 3.28Å
589G84.5Confident68.3Low43 Ų4397.8 Ų97.844%0.44351%0.506SS..THydrogen-bonded Turntrans-70.44.8-177.100000116I585I585-G589 WeakPolarHBondContact O-CA 3.41Å; I585-G589 PolarHBondContact O-N 3.24Å
590G71.2Confident65.2Low67 Ų6796.7 Ų96.769%0.69152%0.516SS*.THydrogen-bonded Turntrans-1053172.700000114.7W588W588-G590 PolarHBondContact O-N 2.87Å
591K60.4Low62.3Low121 Ų121101 Ų10153%0.52655%0.548SS..  trans-82.3-15.4-175.7-71.9-175.6177-176.20114.1E299 W588 S593E299-K591 IonicContact OE1-NZ 3.73Å; E299-K591 PolarHBondContact OE1-NZ 3.33Å; E299-K591 IonicContact OE2-NZ 2.78Å; E299-K591 PolarHBondContact OE2-NZ 3.37Å; W588-K591 PolarHBondContact O-N 3.28Å; K591-S593 VanDerWaalsContact C-N 3.29Å; K591-S593 PolarHBondContact O-N 3.48Å
592D46.3Very low59.2Low163 Ų163106.3 Ų106.387%0.87259%0.586SS**  trans-90.450.8179.3-68.1-35.6000112.9
593S31.6Very low56.4Low90 Ų90108 Ų10863%0.62961%0.605SS**SBendtrans-116.6119.4165.4-178.10000108.5K591 Q595K591-S593 VanDerWaalsContact C-N 3.29Å; K591-S593 PolarHBondContact O-N 3.48Å; S593-Q595 PolarHBondContact O-N 3.48Å
594P38.6Very low53.2Low113 Ų113112.8 Ų112.873%0.73463%0.628SS**  trans-67.1110.3174.427.7-32000108.7T596P594-T596 VanDerWaalsContact C-N 3.35Å; P594-T596 PolarHBondContact O-N 2.94Å
595Q29.3Very low49.8Very low159 Ų159121 Ų12174%0.74367%0.666SS**  trans-64.393177.7-177.9-179.1-4200110S593 D597S593-Q595 PolarHBondContact O-N 3.48Å; Q595-D597 PolarHBondContact NE2-OD1 3.28Å; Q595-D597 PolarHBondContact O-N 3.45Å; Q595-D597 VanDerWaalsContact O-N 3.14Å
596T29Very low46.9Very low106 Ų106124.2 Ų124.265%0.6569%0.691SS**  trans-70.5103.3166.453.10000108.5P594 N598P594-T596 VanDerWaalsContact C-N 3.35Å; P594-T596 PolarHBondContact O-N 2.94Å; T596-N598 PolarHBondContact O-N 3.43Å
597D36.3Very low43.6Very low133 Ų133120.3 Ų120.371%0.71168%0.683SS**  trans-66.578.1173.1-79.1-27.2000111.2Q595Q595-D597 PolarHBondContact NE2-OD1 3.28Å; Q595-D597 PolarHBondContact O-N 3.45Å; Q595-D597 VanDerWaalsContact O-N 3.14Å
598N29.9Very low40.3Very low135 Ų135121.1 Ų121.172%0.72270%0.699SS**  trans-104.580.7174.2-91.3-42.7000110.6T596 A600T596-N598 PolarHBondContact O-N 3.43Å; N598-A600 PolarHBondContact O-N 3.33Å
599R36.3Very low37.1Very low260 Ų260129 Ų12998%0.98174%0.736SS**  trans-72.374.7169-174.9-168.5178.1-175.10.3110.1
600A29.2Very low34.3Very low87 Ų87134.5 Ų134.572%0.71975%0.751SS**  trans-135.6144.2175.700000111.7N598N598-A600 PolarHBondContact O-N 3.33Å
601S32.2Very low32.2Very low109 Ų109138.7 Ų138.776%0.76275%0.752SS**  trans-80.3154.7-179.750.10000113P603S601-P603 WeakPolarHBondContact O-CD 3.42Å
602S30.2Very low30.4Very low114 Ų114137.4 Ų137.480%0.79776%0.758SS**  trans-52.5139.5170.955.30000114.4
603P34.1Very low29.3Very low124 Ų124135.2 Ų135.281%0.80576%0.755SS**  trans-115.3-175.2132.1-6.427.6000112.8S601S601-P603 WeakPolarHBondContact O-CD 3.42Å
604K27.6Very low29Very low203 Ų203136.6 Ų136.688%0.88376%0.759SS**  trans-101.8168.1-174.3-57.2172.1-178.3175.50112.2
605E23.6Very low28.5Very low171 Ų171139.2 Ų139.280%0.79977%0.766SS**  trans-57.4153.8162.5-54.7-178.7132.900111.7
606P32.3Very low28.2Very low122 Ų122135.3 Ų135.379%0.79277%0.769SS**  -113.7150.877.3-1.423000112.4
607V25.2Very low28Very low106 Ų106134.4 Ų134.464%0.64278%0.78SS**  79.1110.455178.20000114.3
608S25.8Very low27.4Very low105 Ų105131.4 Ų131.473%0.73478%0.78SS**  trans64.5155.2158.673.30000118.3
609E26.2Very low27.3Very low177 Ų177131.9 Ų131.983%0.82779%0.788SS**  cis-136.1-176.313.7-78.8-173.9139.800113.8
610Q25.3Very low26.9Very low159 Ų159126.2 Ų126.274%0.74378%0.782SS**  trans-63.7179.4168.4-59141.8-113.800112.2
611E26.2Very low26.8Very low155 Ų155125 Ų12572%0.72478%0.779SS**  cis-164.4161.212.8-148.3154.4-116.200113.8
612S23.4Very low27.4Very low94 Ų94124.9 Ų124.966%0.65778%0.775SS**  trans68.2130.7150.3108.40000119
613C23.1Very low27.3Very low117 Ų117128 Ų12879%0.79178%0.777SS**  76142.179.2-63.30000114.2
614V26Very low27.1Very low120 Ų120128.6 Ų128.673%0.72777%0.773SS**  cis-158.3158.33.6106.40000112.6
615L26.6Very low27.2Very low168 Ų168126.9 Ų126.988%0.8877%0.768SS**  trans14.1135.6160.6-55.8162.5000122.4
616G24.4Very low27.4Very low77 Ų77127.1 Ų127.179%0.79477%0.769SS**  127.1108.599.300000121
617G24.2Very low27.4Very low87 Ų87131 Ų13190%0.89777%0.768SS**  trans74.7159.9155.400000118.1
618G24.1Very low27.5Very low69 Ų69131.4 Ų131.471%0.71177%0.767SS**  cis164.7132.2-1400000115.9
619V26.9Very low27.8Very low146 Ų146131.7 Ų131.789%0.88577%0.769SS**  trans77.5152.1157.8-156.90000118.7
620V28.2Very low28Very low140 Ų140128.1 Ų128.185%0.84877%0.77SS**  trans98.8123.8163.6-170.40000117.4
621G26.3Very low28.2Very low63 Ų63126 Ų12665%0.64977%0.772SS**  trans-105.5-141.3169.600000111.5
622P45.9Very low29.2Very low106 Ų106124.5 Ų124.569%0.68878%0.776SS**  cis-135.8-162.712.642.5-23.1000114.7
623E28.3Very low29.6Very low178 Ų178128.8 Ų128.883%0.83279%0.785SS**  trans68.2144.6151.4-79.3158.8-148.400119.8
624D29.3Very low30.1Very low137 Ų137128.5 Ų128.573%0.73379%0.785SS**  cis-165.2-177-11.4-162.28.5000112.2
625Q30.1Very low30.3Very low167 Ų167127 Ų12778%0.7879%0.785SS**  trans84.185.6154.9-69.7172.15700123.2
626Q28.6Very low30.3Very low176 Ų176126.7 Ų126.782%0.82278%0.784SS**  20.1152.3118.4-142.1177.2-22.800124.4
627R31.6Very low30.5Very low203 Ų203128.2 Ų128.277%0.76678%0.783SS**  trans85.1150.6163.9-64.8-179.6179-113.211.2117.7
628D27.6Very low31.8Very low115 Ų115129.3 Ų129.362%0.61577%0.774SS**  cis-156.9161.2-7.9-115-32000112.4
629S32.2Very low31.9Very low112 Ų112134.1 Ų134.178%0.78378%0.78SS**  trans59.8128.1152.7-61.80000124.3
630A28.8Very low31.9Very low102 Ų102131.7 Ų131.784%0.84377%0.769SS**  157.5153.9113.300000115
631S31.5Very low32Very low113 Ų113132.2 Ų132.279%0.7977%0.766SS**  trans-142.6171.1170.1-55.50000110.4
632P47.1Very low31.9Very low125 Ų125135.2 Ų135.281%0.81278%0.777SS**  -143.4177.6120.635.5-19.6000115.8
633H31.6Very low31.1Very low183 Ų183135.8 Ų135.885%0.84778%0.784SS**  trans-81.1166.3-168.2-52.7-69.9000115.4
634S32.4Very low31.5Very low112 Ų112132.6 Ų132.678%0.78378%0.778SS**  -162.2135.184.1-62.10000110.3
635A31.4Very low31.4Very low88 Ų88135.7 Ų135.773%0.72779%0.785SS**  62.1134.290.500000113.9
636D26.7Very low31.4Very low161 Ų161135.6 Ų135.686%0.86179%0.785SS**  cis-136.7-171.620.3-93.7-54000114.7
637S28.1Very low31.2Very low109 Ų109136.7 Ų136.776%0.76279%0.789SS**  trans-142.5-156.6-178.6-48.10000109.9
638P51.5Low31Very low110 Ų110132.6 Ų132.671%0.71479%0.792SS**  cis-133.6-159-25.330.9-7.2000112.9
639M25.9Very low30.8Very low171 Ų171133.1 Ų133.184%0.84281%0.805SS**  trans78.1152.9150.4-79.1-159.6173.100121.3
640S27.1Very low30.4Very low94 Ų94132.8 Ų132.866%0.65781%0.808SS**  cis-165.9165.5-30.1-121.20000113.8
641I30.5Very low30.2Very low152 Ų152133.8 Ų133.878%0.77981%0.809SS**  trans-20.6138.4166.646.5162000119.9
642S24.1Very low30.2Very low126 Ų126132 Ų13288%0.88180%0.797SS**  trans-165.4141.1142.6-85.50000113.1
643S28.6Very low29.5Very low118 Ų118129.4 Ų129.483%0.82578%0.779SS**  trans-117.4154.2160.8-63.10000107.5
644P37.7Very low29.4Very low110 Ų110122.3 Ų122.371%0.71475%0.75SS**  -158171.4102.140.4-22.3000117.9
645K25.6Very low29.3Very low202 Ų202118.8 Ų118.888%0.87873%0.725SS**  trans77149.6147.5-81.6164.8-178.91790120.5
646Q30.5Very low29.2Very low166 Ų166118.1 Ų118.178%0.77671%0.709SS**  trans-92.2154.1-174.6-52.4147.5-52.700110.4
647H24.1Very low29.3Very low198 Ų198112.7 Ų112.792%0.91768%0.683SS**  trans-149.2134.8134.4-86.3-66.2000109.7
648S26.9Very low29.2Very low117 Ų117110.5 Ų110.582%0.81868%0.678SS**  trans-94127.3-178.1-59.90000111.7
649S24.8Very low28.2Very low127 Ų127110.9 Ų110.989%0.88868%0.684SS**  trans-159.3110.3159.3-80.60000107.9
650A23.1Very low28.2Very low104 Ų104108 Ų10886%0.8667%0.672SS**  trans-112.6106.5-174.300000110.4
651S25.9Very low28.3Very low123 Ų123111.7 Ų111.786%0.8668%0.684SS**  trans-90110.1167.145.70000110
652S30.4Very low28.2Very low77 Ų77111.5 Ų111.554%0.53869%0.685SS.*  trans-63.5155.2170-50.80000111.5
653V32.6Very low28.4Very low70 Ų70111.5 Ų111.542%0.42469%0.685SS.*  -172.8147.4113.7-91.30000112.2T372 V373T372-V653 HydrophobicContact CG2-CB 3.68Å; T372-V653 HydrophobicContact CG2-CG1 3.7Å; T372-V653 HydrophobicContact CG2-CG2 3.75Å; V373-V653 HydrophobicContact CG2-CG2 4.24Å
654S28.4Very low28.4Very low34 Ų34113.6 Ų113.624%0.23869%0.686CS.*  trans-122.6171.5158.7-63.80000108.2N524N524-S654 WeakPolarHBondContact ND2-CB 3.46Å; N524-S654 PolarHBondContact ND2-OG 3.41Å
655S31.8Very low28Very low38 Ų38114.1 Ų114.127%0.26669%0.693SS.*  trans81.5121.1-172.6-45.40000114.1T372T372-S655 VanDerWaalsContact CB-O 3.23Å; T372-S655 WeakPolarHBondContact CB-O 2.83Å; T372-S655 WeakPolarHBondContact CG2-O 3.46Å
656L29.1Very low28.2Very low73 Ų73109 Ų10938%0.38269%0.689SS.*  trans-106.5118177.2-91.8152.8000110.6A371 V373 I375A371-L656 HydrophobicContact CB-CD2 4.22Å; V373-L656 HydrophobicContact CB-CD2 3.83Å; V373-L656 HydrophobicContact CB-CG 4.2Å; V373-L656 HydrophobicContact CG1-CD2 4.48Å; V373-L656 WeakPolarHBondContact O-CD2 3.49Å; I375-L656 HydrophobicContact CD1-CD1 3.63Å; I375-L656 HydrophobicContact CD1-CD2 3.71Å; I375-L656 HydrophobicContact CD1-CG 4.33Å; I375-L656 HydrophobicContact CG1-CD2 4.21Å
657S29.3Very low28.1Very low47 Ų47109.1 Ų109.133%0.32969%0.694SS.*  trans61.2116.3150.1-151.70000121
658G25.4Very low28.7Very low64 Ų64105.3 Ų105.366%0.6669%0.686SS**  trans-137.7173.813000000107.2
659S30.5Very low28.7Very low118 Ų118110.7 Ų110.783%0.82569%0.69SS**  cis-172.7134.2-8.949.30000107.1
660D26.2Very low28.8Very low110 Ų110111.5 Ų111.559%0.58869%0.69SS**  trans-113.9137.3176.1-70-42.4000111.1K370K370-D660 IonicContact NZ-OD1 3.65Å; K370-D660 PolarHBondContact NZ-OD1 3.41Å; K370-D660 IonicContact NZ-OD2 2.78Å; K370-D660 PolarHBondContact NZ-OD2 2.76Å
661N29.5Very low29.3Very low171 Ų171114.4 Ų114.491%0.91469%0.69SS**  trans-168.9113.9156.8-120.1-0.3000108.6
662D27.3Very low29.8Very low149 Ų149113.8 Ų113.880%0.79768%0.683SS**  trans-83.6153-172.8-57.2-70.5000113.7
663S29.4Very low30Very low126 Ų126115.9 Ų115.988%0.88170%0.695SS**  trans-159.4113.2160.1-76.90000109.9
664D27.2Very low30.3Very low161 Ų161118.7 Ų118.786%0.86172%0.715SS**  trans-88.6131.9-171.4-137.7-21.6000112.1
665S30.6Very low30.7Very low122 Ų122123.5 Ų123.585%0.85374%0.743SS**  trans-174110.5163.7-82.30000110.5
666A28.2Very low30.6Very low95 Ų95130.2 Ų130.279%0.78578%0.775SS**  trans-88.9143.6-174.100000114
667L29.7Very low30.4Very low168 Ų168132.1 Ų132.188%0.8879%0.794SS**  trans-135.2148161.9-76.1177.1000110.1
668P37.5Very low30.4Very low118 Ų118133.4 Ų133.477%0.76681%0.808SS**  trans-87.8164.6-166.834.4-37000115.5
669Y26.7Very low30.5Very low230 Ų230141 Ų14190%0.90282%0.818SS**  trans-63154.5-177.9-67.3-99.3000115.6
670T27.1Very low30.4Very low144 Ų144139.9 Ų139.988%0.88382%0.816SS**  trans-128.5149.8150.939.80000110.7
671L33.2Very low30.4Very low164 Ų164140.4 Ų140.486%0.85983%0.829SS**PPolyproline II helixtrans-99.9156.4-171.2-78.8157.8000112.5
672P35.8Very low30.3Very low111 Ų111141.6 Ų141.672%0.72183%0.826SS**PPolyproline II helixtrans-80.2149.9171.933.9-34.7000112.4
673P34.4Very low31.4Very low121 Ų121139.8 Ų139.879%0.78682%0.822SS**PPolyproline II helixtrans-81.7152.3172.933.3-34.5000112.7
674P39.8Very low31.6Very low128 Ų128138 Ų13883%0.83182%0.815SS**PPolyproline II helixtrans-89.5172.6-179.937-36.8000113.8
675T36.5Very low31.8Very low135 Ų135138.1 Ų138.183%0.82882%0.815SS**  trans-109.3143.8173.948.90000112.1
676L28.7Very low31.8Very low180 Ų180135.5 Ų135.594%0.94281%0.807SS**  trans-173.6-175146.6-104.4165.3000110.9
677S26.6Very low31.9Very low112 Ų112138.4 Ų138.478%0.78381%0.808SS**  trans-141.2159.2-145-167.20000117.6
678A27.8Very low32Very low75 Ų75134.5 Ų134.562%0.6280%0.801SS**  trans102.5148.2143.400000122.6
679Y27.2Very low31.8Very low223 Ų223137 Ų13788%0.87581%0.807SS**  trans81.289.6161.4-70.1-73000123.7
680A29.2Very low32.3Very low95 Ų95133.8 Ų133.879%0.78580%0.8SS**  50.6127.4117.700000124.1
681S26.4Very low33.8Very low121 Ų121131.6 Ų131.685%0.84679%0.788SS**  trans-157.9168.6136.6-162.30000112.3
682F27.1Very low33.7Very low196 Ų196128.6 Ų128.686%0.8678%0.781SS**  trans-131.3-176.1-175-91.5-79.7000109.2
683P51.1Low33.6Very low110 Ų110129.8 Ų129.871%0.71478%0.78SS**  cis-136.5175.7-13.626.7-3.4000116.7
684A34.2Very low33.4Very low88 Ų88131.7 Ų131.773%0.72778%0.778SS**  trans68.8148.8143.100000121.5
685L30.1Very low33Very low164 Ų164133.1 Ų133.186%0.85978%0.777SS**  cis-95.2-158.1-2.7-64.3163.5000110
686G30Very low32.6Very low67 Ų67130 Ų13069%0.69177%0.773SS**  cis164.4158.91.200000110
687L31.1Very low32.9Very low156 Ų156128.8 Ų128.882%0.81777%0.773SS**  cis-152.8150.4-9.9-84178.5000110
688A32.3Very low32.9Very low87 Ų87127.4 Ų127.472%0.71978%0.776SS**  trans29.4138.6140.400000123.1
689L32.8Very low33.1Very low170 Ų170133 Ų13389%0.8979%0.786SS**  cis-164.6153.1-14.9-142.8120.6000110.1
690Q36.8Very low33.3Very low162 Ų162131.4 Ų131.476%0.75779%0.787SS**  trans-157.4143.3-179.8-178.4-102.273.800113.8
691P58.2Low33.1Very low99 Ų99130 Ų13064%0.64378%0.782SS**  trans-135.1173.8161.341.3-28.1000115.6
692S31.3Very low33.2Very low100 Ų100133.7 Ų133.770%0.69979%0.788SS**  trans75.4152.2149.9-76.20000121.8
693I34.7Very low33.2Very low137 Ų137128.5 Ų128.570%0.70379%0.789SS**  cis-168144-35.3-123.2166.8000111.6
694H30.7Very low32.1Very low161 Ų161126.6 Ų126.675%0.74579%0.789SS**  trans60.3164.8160.3-81-138000120.1
695L31.3Very low32Very low157 Ų157134 Ų13482%0.82280%0.799SS**  cis-176.3149-30174.667.3000107.7
696G27.6Very low31.9Very low71 Ų71134.1 Ų134.173%0.73279%0.794SS**  trans149.4150.1156.700000118.1
697T34.5Very low32Very low154 Ų154138 Ų13895%0.94580%0.799SS**  trans-124.6153.7178.752.50000111.6
698G26.6Very low31.8Very low82 Ų82139 Ų13985%0.84580%0.804SS**  trans-156.7158.7176.800000113.9
699K31.1Very low31.8Very low193 Ų193142.2 Ų142.284%0.83981%0.808SS**  trans-146175.2-173.7-150.2177.6-173.7179.30110.3
700H31.3Very low33Very low190 Ų190139.1 Ų139.188%0.8880%0.798SS**  trans75.1153.3-176.2-53.3-98.7000115.1
701G25.9Very low33.5Very low66 Ų66137.9 Ų137.968%0.6880%0.804SS**  cis154.8125.1-14.900000115.7
702M29.4Very low32.1Very low198 Ų198136.3 Ų136.398%0.97581%0.806SS**  trans63.5128.2160.8-74.416053.700120.8
703G26.9Very low32.2Very low87 Ų87136.7 Ų136.790%0.89781%0.809SS**  trans90142.5157.800000116.3
704G28.1Very low32Very low69 Ų69138.9 Ų138.971%0.71182%0.816SS**  cis154.4133-1400000114.2
705R31.3Very low32Very low244 Ų244135 Ų13592%0.92181%0.811SS**  trans60.6135.7176.1-62.7177.2168.1-175.6-4.8114.7
706H27.7Very low31.8Very low167 Ų167135.7 Ų135.777%0.77381%0.81SS**  -160.8176.258.9-152.9-95.8000113.5
707L32.8Very low31.9Very low148 Ų148138.4 Ų138.478%0.77581%0.812SS**  trans-81.8151.8174.8-64.3154.7000112.7
708L27.3Very low31.5Very low177 Ų177136.9 Ų136.993%0.92781%0.808SS**  trans-162.6161.4146.5-107.9163.9000111.9
709L30.5Very low31.8Very low155 Ų155140.3 Ų140.381%0.81281%0.806SS**  trans-150.8-179.1-170.2-121.3167.4000110.3
710P59.8Low32.2Very low105 Ų105136.7 Ų136.768%0.68280%0.802SS**  -87.6176.7-122.944-32.1000116.1
711P47.5Very low32.1Very low135 Ų135133.1 Ų133.188%0.87780%0.799SS**  -128.8-173.592.36.416.9000113.1
712G28.8Very low32.2Very low66 Ų66133.8 Ų133.868%0.6881%0.805SS**  cis150.5149.5-7.600000113.9
713S31.8Very low32.3Very low109 Ų109132.9 Ų132.976%0.76280%0.804SS**  trans64.4159.8174-71.60000118.4
714Q31.1Very low32.2Very low182 Ų182133.4 Ų133.485%0.8580%0.799SS**  cis-173.4165.5-18.4-99.2163.2-49.200106.5
715A30.5Very low32.3Very low79 Ų79137.7 Ų137.765%0.65380%0.803SS**  cis-170.5-178.4-21.100000110.4
716H27Very low32.1Very low173 Ų173134.1 Ų134.180%0.80180%0.796SS**  trans71.2138.8175.8-73.4-101.7000118.5
717V29.2Very low32.1Very low127 Ų127131.3 Ų131.377%0.7780%0.796SS**  cis109117.58.4175.50000115.8
718S26.3Very low32Very low122 Ų122132.4 Ų132.485%0.85380%0.799SS**  trans-163.1149153.6-79.90000111.9
719L33Very low32.5Very low154 Ų154130.2 Ų130.281%0.80680%0.795SS**  trans-135.4157.6175.1-92.2167.9000109.7
720P39.8Very low32.3Very low118 Ų118129.2 Ų129.277%0.76679%0.791SS**  -134.5149.3109.735.8-25.7000112.2
721S29.9Very low30.9Very low114 Ų114133.8 Ų133.880%0.79779%0.794SS**  cis91.1112.633.1-62.60000114.4
722G27.3Very low29.9Very low80 Ų80135 Ų13583%0.82579%0.788SS**  trans172.1114.2172.300000112.5
723L31.5Very low29.9Very low179 Ų179137.4 Ų137.494%0.93780%0.795SS**  trans-131.9146.2-179.6-83.5169.6000111.1
724A25.8Very low29.6Very low98 Ų98135.8 Ų135.881%0.8180%0.795SS**  trans-153.6163.1163.600000110.2
725M29.1Very low29.6Very low159 Ų159133.5 Ų133.578%0.78379%0.794SS**  trans-136.4172-167.6-79.8-107.5-69.100113.1
726H27.5Very low29.5Very low169 Ų169139.6 Ų139.678%0.78281%0.806SS**  trans98.8126.5153.6-76.3-79.1000122.6
727S27Very low29.7Very low109 Ų109140.8 Ų140.876%0.76281%0.809SS**  trans78.4132.1139-140.30000122.7
728M32.3Very low29.7Very low170 Ų170142.4 Ų142.484%0.83781%0.813SS**  trans-79.5158.1150.6-67.7-75.3-173.200110.3
729P37.4Very low29.8Very low131 Ų131142.7 Ų142.785%0.85181%0.81SS**  trans-132.6-176.6132.237.5-26.7000112.9
730D26.6Very low29.6Very low134 Ų134145.1 Ų145.172%0.71781%0.814SS**  trans-110156.2-163.5-173.530.2000115
731R30Very low29.1Very low201 Ų201141.9 Ų141.976%0.75880%0.802SS**  trans66.1140.2148.8-107175.1169.8175.4-3.3125.2
732Q27.2Very low29.2Very low160 Ų160146.9 Ų146.975%0.74881%0.809SS**  trans93.2100.3149.1-70.5-169.919.500121.6
733S28.1Very low29.4Very low117 Ų117151.7 Ų151.782%0.81881%0.81SS**  trans51.8123.113459.10000121.2
734G25.2Very low29.3Very low75 Ų75150.3 Ų150.377%0.77380%0.804SS**  trans-157.4-36.6172.900000119.6
735T30.4Very low29.9Very low135 Ų135151.5 Ų151.583%0.82880%0.803SS**  trans-161.1147.4-178-2.30000113.2
736K29.8Very low30.1Very low207 Ų207149.3 Ų149.390%0.980%0.801SS**  trans-98.4113.3176.8-67.8180-179.3176.60110.6
737F30.8Very low30.5Very low198 Ų198147.4 Ų147.487%0.86880%0.803SS**  trans-107.3146.6160.6-91.4-87.4000110.5
738N28Very low30.5Very low161 Ų161149 Ų14986%0.86181%0.809SS**  trans-87.2133.9-163.5-164.27.8000112.5
739V28.4Very low30.3Very low128 Ų128148.8 Ų148.878%0.77681%0.811SS**  trans-84.8114.5-179.7176.10000110G741V739-G741 PolarHBondContact O-N 3.43Å
740K30.4Very low30.1Very low204 Ų204146.3 Ų146.389%0.88781%0.809SS**  trans-8989.9164.9-109-176.3175.9-179.30109.9
741G28.5Very low30.2Very low50 Ų50144.4 Ų144.452%0.51581%0.811SS.*PPolyproline II helixtrans-74.2141.5167.500000111.3V739V739-G741 PolarHBondContact O-N 3.43Å
742F31.2Very low30.1Very low219 Ų219139 Ų13996%0.96181%0.81SS**PPolyproline II helixtrans-78.8123.9168.4-77.4-94.5000109.3
743H31.2Very low30.1Very low182 Ų182139 Ų13984%0.84382%0.815SS**PPolyproline II helixtrans-99.8149.6-178-92-88.7000112.8
744N29.7Very low30.2Very low149 Ų149136.9 Ų136.980%0.79780%0.804SS**PPolyproline II helixtrans-61.3146.7165.6-67.5-21.8000111.4
745P39.5Very low30.2Very low123 Ų123140 Ų14080%0.79980%0.803SS**PPolyproline II helixtrans-72.8131.2166.630-32.8000111.4
746P33.9Very low30.2Very low113 Ų113144.8 Ų144.873%0.73481%0.806SS**PPolyproline II helixtrans-84.9167.7172.734.9-34.7000112.6
747P34.8Very low29.9Very low129 Ų129138.2 Ų138.284%0.83880%0.796SS**PPolyproline II helixtrans-83.2158-174.434.1-36.8000113.9
748V27.1Very low29.9Very low144 Ų144138 Ų13887%0.87380%0.797SS**  trans-106108.6171.5-179.50000109.9
749N28.3Very low29.8Very low165 Ų165137 Ų13788%0.88280%0.797SS**  trans-106.9138.2159.5-103.2-15000108.1
750G32.8Very low29.7Very low79 Ų79139 Ų13981%0.81480%0.798SS**  trans-97.7155.1177.900000113.8
751A28.2Very low29.5Very low93 Ų93133.1 Ų133.177%0.76979%0.787SS**  trans-134.2127.6161.600000105.7
752A28.2Very low29.4Very low88 Ų88138.1 Ų138.173%0.72780%0.797SS**  61.91388400000111.7
753L28.2Very low29.1Very low161 Ų161136.3 Ų136.384%0.84379%0.786SS**  cis-147.2-166.828.1-84.696.3000109.4
754A28.7Very low28.9Very low72 Ų72134.7 Ų134.760%0.59578%0.778SS**  cis178.2173.6-48.500000108.4
755N27.2Very low28.7Very low139 Ų139137.3 Ų137.374%0.74378%0.777SS**  trans68.7155.4166.9-64.6-41.5000117
756R28.7Very low28.1Very low237 Ų237137.4 Ų137.489%0.89477%0.77SS**  cis-157.9161.6-7.1-126174.5-178.4-174.6-0.8109.9
757G24.4Very low27.9Very low68 Ų68136.4 Ų136.470%0.70177%0.766SS**  trans161.2125.2162.600000114.8
758H31.1Very low27.6Very low193 Ų193140.4 Ų140.489%0.89477%0.765SS**  trans-142.7130.3176.5-89.35000111.2
759T26Very low27.6Very low140 Ų140138.2 Ų138.286%0.85975%0.752SS**  trans-166.3153.4155.536.10000107.8
760H26.1Very low27.8Very low170 Ų170140.4 Ų140.479%0.78775%0.748SS**  cis-160.8177.3-35-151.5-103.8000107.7
761A26.4Very low27.6Very low81 Ų81146.9 Ų146.967%0.66975%0.747SS**  trans68.3159.1168.800000118.2
762Q25.7Very low28Very low155 Ų155153.8 Ų153.872%0.72475%0.754SS**  cis-167.4146.4-46.3-117.3174.8-13.700110.3
763Y25.9Very low28Very low182 Ų182159.4 Ų159.471%0.71476%0.762SS**  trans52.8122.1151-75-61.8000125.1
764H25.7Very low28.2Very low147 Ų147161.5 Ų161.568%0.68176%0.759SS**  82.9118.2126.3-88-34.2000125.5
765R26.8Very low28.6Very low204 Ų204163.3 Ų163.377%0.7776%0.758SS**  87.6143.8123.9-98.4-175161.6158.4-2.8123
766N27Very low28.8Very low125 Ų125162.4 Ų162.467%0.66876%0.763SS**  trans74.896.6147-65.1-0.1000121.5
767S29.7Very low29.2Very low92 Ų92159 Ų15964%0.64376%0.761SS**  10.6148.5118.848.90000122.1
768W27.5Very low30.6Very low214 Ų214161.1 Ų161.181%0.81176%0.763SS**  trans145.996.4130.1-86.290.5000116.3
769T27.7Very low30.7Very low98 Ų98159 Ų15960%0.60176%0.763SS**  trans55.6160.9132.674.10000125
770R32.2Very low31Very low211 Ų211156.8 Ų156.880%0.79675%0.753SS**  trans77.5156.2158.4-69.8173.2177.4178.60.9116.1
771R27.9Very low31.4Very low214 Ų214156 Ų15681%0.80875%0.754SS**  cis-150.6160.37.8-141167.8-174.4171.9-1.4112.7
772R37.8Very low31.8Very low238 Ų238157.2 Ų157.290%0.89876%0.758SS**  trans-71.1157.7162.8-66.4177.3175.3169.2-3.6111.6
773K28.3Very low32.4Very low206 Ų206165 Ų16590%0.89678%0.781SS**  trans-151.8162.2144.7-130.7-171.9178.6-169.60113.6
774R32.1Very low32.7Very low206 Ų206164.2 Ų164.278%0.77778%0.784SS**  trans-168.5169.6-173.7-108.2-178152-121.90.4106.7
775D37.2Very low33.1Very low109 Ų109165.1 Ų165.158%0.58379%0.789SS**  cis-148.21522.3-104-49.2000108.5
776S30.5Very low33.4Very low121 Ų121162.9 Ų162.985%0.84679%0.791SS**  trans-162.2151.5156.850.50000113.4
777L36.5Very low33.8Very low165 Ų165165.2 Ų165.286%0.86480%0.798SS**  trans-133.5-173.3-172.7-74.3167.2000108.4
778P55.2Low34Very low113 Ų113169.8 Ų169.873%0.73481%0.807SS**  cis-126.6-173-30.628.1-7000112
779V32.2Very low34.5Very low147 Ų147166.8 Ų166.889%0.89181%0.807SS**  trans-177169.8134.9143.60000109
780S32.1Very low34.9Very low94 Ų94171.7 Ų171.766%0.65782%0.822SS**  trans-135.5174.4-151.957.70000116.6
781L35.4Very low35.2Very low153 Ų153168.7 Ų168.780%0.80182%0.824SS**  trans80.3112.8159.1-67.3163.7000120.6
782S34.8Very low35.8Very low107 Ų107164.9 Ų164.975%0.74883%0.825SS**  54.8111.6126.5-55.40000121.5
783R37.1Very low35.6Very low320 Ų320158.3 Ų158.3100%1.20882%0.819SS**  -149.80103.9-124.4-178.9-171.6-153.40.9112.4

Retrieved 783 of 783 residues in 102 ms (Link to these results)

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