A0A096ND19_PAPAN Loading...

ETS domain-containing protein Elk-1

Transcription factor that binds to purine-rich DNA sequences. Forms a ternary complex with SRF and the ETS and SRF motifs of the serum response element (SRE) on the promoter region of immediate early genes such as FOS and IER2. Induces target gene transcription upon JNK and MAPK-signaling pathways stimulation.

AlphaFold DB , UniProt , Accession A0A096ND19, Species PAPAN (Papio anubis, Olive baboon), Gene ELK1, Length 428 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
1M62.6Low87.8Confident190 Ų19065.3 Ų65.394%0.93636%0.357SS*.  0112.90-84.7-59.1168.100109.1R49M1-R49 PolarHBondContact SD-NH1 3.4Å
2D74.1Confident88.2Confident99 Ų9961.3 Ų61.353%0.52934%0.335SS..  trans-77.8133.4-157.8-51-86.5000112.7S4 V5 R49D2-S4 VanDerWaalsContact C-N 3.32Å; D2-V5 WeakPolarHBondContact O-CG1 3.41Å; D2-R49 PolarHBondContact O-NE 3.28Å; D2-R49 VanDerWaalsContact O-NE 3.15Å; D2-R49 PolarHBondContact O-NH2 3.21Å
3P77.3Confident88.6Confident102 Ų10262.8 Ų62.866%0.66234%0.338SS*.THydrogen-bonded Turntrans-80.6-14.1177.633.4-35.7000112.5V5 K50P3-V5 VanDerWaalsContact C-N 3.27Å; P3-V5 PolarHBondContact O-N 3.23Å; P3-K50 PolarHBondContact O-NZ 2.96Å
4S88.3Confident89Confident96 Ų9659.3 Ų59.367%0.67132%0.319SS*.THydrogen-bonded Turntrans-71.7-17.5176.850.80000113.7D2D2-S4 VanDerWaalsContact C-N 3.32Å
5V92.8Very high89.2Confident21 Ų2156.4 Ų56.413%0.12730%0.303CS..  trans-53.8139.2-175.2720000113D2 P3 Q9 F10 W46 R49 K50D2-V5 WeakPolarHBondContact O-CG1 3.41Å; P3-V5 VanDerWaalsContact C-N 3.27Å; P3-V5 PolarHBondContact O-N 3.23Å; V5-Q9 HydrophobicContact CG2-CB 3.74Å; V5-F10 HydrophobicContact CG2-CB 4.41Å; V5-W46 HydrophobicContact CG1-CZ3 4.25Å; V5-R49 HydrophobicContact CG1-CG 3.91Å; V5-K50 PolarHBondContact O-NZ 3.3Å
6T94.8Very high89.3Confident52 Ų5260.6 Ų60.632%0.31931%0.314SS..  trans-92.8162.7175.967.40000111.7W8 Q9 F10T6-W8 PolarHBondContact O-N 3.09Å; T6-W8 VanDerWaalsContact OG1-CD1 3.23Å; T6-W8 PolarHBondContact OG1-NE1 3.22Å; T6-W8 VanDerWaalsContact OG1-NE1 3.16Å; T6-Q9 PolarHBondContact O-N 2.88Å; T6-Q9 VanDerWaalsContact OG1-CD 3.28Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.4Å; T6-Q9 PolarHBondContact OG1-OE1 3.28Å; T6-F10 WeakPolarHBondContact O-CB 3.46Å; T6-F10 PolarHBondContact O-N 3.28Å
7L95.6Very high89.4Confident3 Ų363.2 Ų63.22%0.01632%0.324CS..Hα-helixtrans-61.6-41.2-176.4174.363.9000112.3Q9 F10 L11 W46 L60 A63 L64 Y67L7-Q9 PolarHBondContact O-N 3.37Å; L7-F10 HydrophobicContact CD1-CD1 4.22Å; L7-F10 PolarHBondContact O-N 2.67Å; L7-L11 HydrophobicContact CD1-CD1 3.98Å; L7-L11 HydrophobicContact CD1-CD2 4.34Å; L7-L11 HydrophobicContact CD1-CG 3.92Å; L7-L11 HydrophobicContact CG-CD1 3.93Å; L7-L11 HydrophobicContact CG-CG 4.31Å; L7-L11 VanDerWaalsContact O-CG 3.3Å; L7-L11 WeakPolarHBondContact O-CG 3.24Å; L7-L11 PolarHBondContact O-N 3.39Å; L7-W46 HydrophobicContact CB-CH2 4.08Å; L7-W46 HydrophobicContact CB-CZ2 3.82Å; L7-W46 HydrophobicContact CD1-CD2 3.79Å; L7-W46 HydrophobicContact CD1-CE3 4.23Å; L7-W46 HydrophobicContact CD1-CG 3.94Å; L7-W46 HydrophobicContact CD1-CZ2 4.45Å; L7-L60 HydrophobicContact CD1-CD1 3.89Å; L7-L60 HydrophobicContact CD1-CD2 4.36Å; L7-L60 HydrophobicContact CD1-CG 3.89Å; L7-L60 HydrophobicContact CD2-CD2 4.13Å; L7-L60 HydrophobicContact CD2-CG 3.92Å; L7-A63 HydrophobicContact CD2-CB 3.63Å; L7-L64 HydrophobicContact CD2-CD2 4.15Å; L7-L64 HydrophobicContact CD2-CG 4.24Å; L7-Y67 HydrophobicContact CB-CE2 4.06Å; L7-Y67 HydrophobicContact CD2-CE2 4.23Å; L7-Y67 HydrophobicContact CG-CE2 4.3Å
8W94.9Very high88.7Confident61 Ų6170.7 Ų70.723%0.23136%0.357CS..Hα-helixtrans-65.9-38.9-17973.3-98.8000112.3T6 L12 Y67 I72 I73 F85 V91T6-W8 PolarHBondContact O-N 3.09Å; T6-W8 VanDerWaalsContact OG1-CD1 3.23Å; T6-W8 PolarHBondContact OG1-NE1 3.22Å; T6-W8 VanDerWaalsContact OG1-NE1 3.16Å; W8-L12 HydrophobicContact CZ3-CD2 4.34Å; W8-L12 WeakPolarHBondContact O-CB 3.33Å; W8-L12 PolarHBondContact O-N 3.46Å; W8-Y67 HydrophobicContact CB-CD2 4.45Å; W8-Y67 HydrophobicContact CB-CE2 3.93Å; W8-Y67 AromaticContact CD1-CZ 3.89Å; W8-I72 HydrophobicContact CB-CG2 3.84Å; W8-I72 HydrophobicContact CD2-CG2 4.06Å; W8-I72 HydrophobicContact CG-CG2 3.66Å; W8-I73 HydrophobicContact CB-CD1 3.89Å; W8-F85 HydrophobicContact CB-CE1 4.25Å; W8-F85 HydrophobicContact CE3-CE1 4.41Å; W8-V91 HydrophobicContact CH2-CG1 4.44Å; W8-V91 HydrophobicContact CZ3-CB 4.41Å; W8-V91 HydrophobicContact CZ3-CG1 4.15Å
9Q94.3Very high88.4Confident80 Ų8070 Ų7037%0.37437%0.37SS..Hα-helixtrans-65.5-40.5173.4-69.4164.8-43.100111.8V5 T6 L7 L12 Q13V5-Q9 HydrophobicContact CG2-CB 3.74Å; T6-Q9 PolarHBondContact O-N 2.88Å; T6-Q9 VanDerWaalsContact OG1-CD 3.28Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.4Å; T6-Q9 PolarHBondContact OG1-OE1 3.28Å; L7-Q9 PolarHBondContact O-N 3.37Å; Q9-L12 PolarHBondContact O-N 3.45Å; Q9-Q13 WeakPolarHBondContact O-CB 2.92Å; Q9-Q13 PolarHBondContact O-N 3.47Å
10F95.3Very high88.5Confident14 Ų1467.6 Ų67.66%0.06136%0.357CS..Hα-helixtrans-64.2-44.8177.1168.7-98.6000112.2V5 T6 L7 Q13 L14 L45 W46 R49V5-F10 HydrophobicContact CG2-CB 4.41Å; T6-F10 WeakPolarHBondContact O-CB 3.46Å; T6-F10 PolarHBondContact O-N 3.28Å; L7-F10 HydrophobicContact CD1-CD1 4.22Å; L7-F10 PolarHBondContact O-N 2.67Å; F10-Q13 PolarHBondContact O-N 3.4Å; F10-L14 HydrophobicContact CD1-CD1 4.3Å; F10-L14 HydrophobicContact CE1-CD1 3.55Å; F10-L14 HydrophobicContact CE1-CG 4.14Å; F10-L14 HydrophobicContact CE2-CD1 4.38Å; F10-L14 HydrophobicContact CE2-CD2 4.24Å; F10-L14 HydrophobicContact CE2-CG 4.21Å; F10-L14 HydrophobicContact CZ-CD1 3.6Å; F10-L14 HydrophobicContact CZ-CD2 4.12Å; F10-L14 HydrophobicContact CZ-CG 3.92Å; F10-L14 PolarHBondContact O-N 3.19Å; F10-L45 HydrophobicContact CZ-CB 3.85Å; F10-W46 HydrophobicContact CB-CE3 3.79Å; F10-W46 HydrophobicContact CB-CZ3 3.64Å; F10-W46 HydrophobicContact CD1-CB 4.16Å; F10-W46 HydrophobicContact CD1-CD2 4.2Å; F10-W46 AromaticContact CD1-CE3 3.53Å; F10-W46 HydrophobicContact CD1-CE3 3.53Å; F10-W46 HydrophobicContact CD1-CG 4.49Å; F10-W46 HydrophobicContact CD1-CZ3 4.28Å; F10-W46 HydrophobicContact CD2-CE3 4.08Å; F10-W46 HydrophobicContact CD2-CZ3 4.48Å; F10-W46 HydrophobicContact CE1-CB 3.65Å; F10-W46 HydrophobicContact CE1-CE3 4.1Å; F10-W46 HydrophobicContact CE1-CG 4.43Å; F10-W46 AromaticContact CG-CE3 3.51Å; F10-W46 HydrophobicContact CG-CE3 3.51Å; F10-W46 AromaticContact CG-CZ3 3.89Å; F10-W46 HydrophobicContact CG-CZ3 3.89Å; F10-W46 HydrophobicContact CZ-CB 4.17Å; F10-R49 HydrophobicContact CD2-CB 4.21Å; F10-R49 HydrophobicContact CD2-CG 3.96Å; F10-R49 HydrophobicContact CE2-CB 3.97Å; F10-R49 HydrophobicContact CE2-CG 4.18Å
11L95.6Very high88.5Confident0 Ų066.3 Ų66.30%036%0.36CS..Hα-helixtrans-63.3-42.5175.9-66.8170.5000111.5L7 Q13 L14 L15 I24 F34 V42 L64 I73L7-L11 HydrophobicContact CD1-CD1 3.98Å; L7-L11 HydrophobicContact CD1-CD2 4.34Å; L7-L11 HydrophobicContact CD1-CG 3.92Å; L7-L11 HydrophobicContact CG-CD1 3.93Å; L7-L11 HydrophobicContact CG-CG 4.31Å; L7-L11 VanDerWaalsContact O-CG 3.3Å; L7-L11 WeakPolarHBondContact O-CG 3.24Å; L7-L11 PolarHBondContact O-N 3.39Å; L11-Q13 VanDerWaalsContact C-N 3.31Å; L11-Q13 PolarHBondContact O-N 3.14Å; L11-L14 PolarHBondContact O-N 3.28Å; L11-L15 WeakPolarHBondContact O-CB 3.44Å; L11-L15 WeakPolarHBondContact O-CD1 3.38Å; L11-L15 WeakPolarHBondContact O-CG 3.22Å; L11-L15 PolarHBondContact O-N 3.18Å; L11-I24 HydrophobicContact CB-CD1 4.36Å; L11-I24 HydrophobicContact CD2-CD1 3.71Å; L11-F34 HydrophobicContact CD1-CE2 4.43Å; L11-F34 HydrophobicContact CD1-CZ 4.46Å; L11-V42 HydrophobicContact CD2-CG1 3.46Å; L11-V42 VanDerWaalsContact CD2-CG1 3.46Å; L11-L64 HydrophobicContact CD1-CD2 3.74Å; L11-I73 HydrophobicContact CD1-CD1 4.44Å
12L93.3Very high90Very high18 Ų1863.5 Ų63.59%0.09435%0.345CS..Hα-helixtrans-61.9-37.5174.3-176.561.2000112W8 Q9 L15 R16 W26 F85 Y88 V91W8-L12 HydrophobicContact CZ3-CD2 4.34Å; W8-L12 WeakPolarHBondContact O-CB 3.33Å; W8-L12 PolarHBondContact O-N 3.46Å; Q9-L12 PolarHBondContact O-N 3.45Å; L12-L15 PolarHBondContact O-N 3.11Å; L12-R16 WeakPolarHBondContact O-CG 3.42Å; L12-R16 PolarHBondContact O-N 2.74Å; L12-W26 HydrophobicContact CD1-CH2 4.06Å; L12-W26 HydrophobicContact CD1-CZ2 3.99Å; L12-F85 HydrophobicContact CB-CZ 4.07Å; L12-Y88 HydrophobicContact CD1-CE2 3.89Å; L12-V91 HydrophobicContact CD2-CB 4.13Å; L12-V91 HydrophobicContact CD2-CG2 3.95Å
13Q92.7Very high91Very high81 Ų8159 Ų5938%0.37932%0.32SS..Hα-helixtrans-69.1-43.8176.5-17659.826.400112.4Q9 F10 L11 L15 R16 E17Q9-Q13 WeakPolarHBondContact O-CB 2.92Å; Q9-Q13 PolarHBondContact O-N 3.47Å; F10-Q13 PolarHBondContact O-N 3.4Å; L11-Q13 VanDerWaalsContact C-N 3.31Å; L11-Q13 PolarHBondContact O-N 3.14Å; Q13-L15 PolarHBondContact O-N 3.19Å; Q13-R16 PolarHBondContact O-N 3.14Å; Q13-R16 VanDerWaalsContact O-N 3.12Å; Q13-E17 PolarHBondContact O-N 3.46Å
14L94.1Very high91.9Very high13 Ų1354.2 Ų54.27%0.06829%0.289CS..Hα-helixtrans-57.6-40.5173.2-69.5-178.9000111F10 L11 R16 E17 N20 I23 I24 V42F10-L14 HydrophobicContact CD1-CD1 4.3Å; F10-L14 HydrophobicContact CE1-CD1 3.55Å; F10-L14 HydrophobicContact CE1-CG 4.14Å; F10-L14 HydrophobicContact CE2-CD1 4.38Å; F10-L14 HydrophobicContact CE2-CD2 4.24Å; F10-L14 HydrophobicContact CE2-CG 4.21Å; F10-L14 HydrophobicContact CZ-CD1 3.6Å; F10-L14 HydrophobicContact CZ-CD2 4.12Å; F10-L14 HydrophobicContact CZ-CG 3.92Å; F10-L14 PolarHBondContact O-N 3.19Å; L11-L14 PolarHBondContact O-N 3.28Å; L14-R16 VanDerWaalsContact C-N 3.25Å; L14-R16 PolarHBondContact O-N 3.21Å; L14-E17 PolarHBondContact O-N 3.26Å; L14-N20 WeakPolarHBondContact O-CB 3.22Å; L14-N20 PolarHBondContact O-ND2 3.3Å; L14-I23 HydrophobicContact CD1-CD1 4.28Å; L14-I23 HydrophobicContact CD2-CD1 4.48Å; L14-I24 HydrophobicContact CB-CG2 3.69Å; L14-I24 HydrophobicContact CD1-CG2 4.38Å; L14-V42 HydrophobicContact CD1-CG1 4.25Å; L14-V42 HydrophobicContact CD1-CG2 4.42Å
15L92.9Very high92.3Very high16 Ų1651.4 Ų51.48%0.08427%0.269CS..THydrogen-bonded Turntrans-72.2-6.7178.6-81.2164.8000115.4L11 L12 Q13 I24 W26 F34 F85L11-L15 WeakPolarHBondContact O-CB 3.44Å; L11-L15 WeakPolarHBondContact O-CD1 3.38Å; L11-L15 WeakPolarHBondContact O-CG 3.22Å; L11-L15 PolarHBondContact O-N 3.18Å; L12-L15 PolarHBondContact O-N 3.11Å; Q13-L15 PolarHBondContact O-N 3.19Å; L15-I24 HydrophobicContact CD1-CD1 3.99Å; L15-I24 HydrophobicContact CD1-CG1 4.25Å; L15-I24 HydrophobicContact CD2-CB 4.41Å; L15-I24 HydrophobicContact CD2-CD1 4.49Å; L15-I24 HydrophobicContact CD2-CG1 3.92Å; L15-I24 HydrophobicContact CD2-CG2 4.11Å; L15-I24 HydrophobicContact CG-CD1 3.98Å; L15-I24 HydrophobicContact CG-CG1 3.95Å; L15-I24 HydrophobicContact CG-CG2 3.99Å; L15-W26 HydrophobicContact CB-CH2 4.35Å; L15-W26 HydrophobicContact CB-CZ2 3.5Å; L15-W26 HydrophobicContact CD1-CH2 3.72Å; L15-W26 HydrophobicContact CD1-CZ2 3.72Å; L15-W26 HydrophobicContact CD1-CZ3 4.21Å; L15-W26 HydrophobicContact CD2-CD2 4.11Å; L15-W26 HydrophobicContact CD2-CG 4.24Å; L15-W26 HydrophobicContact CD2-CZ2 4.29Å; L15-W26 HydrophobicContact CG-CZ2 4.04Å; L15-W26 PolarHBondContact O-NE1 2.9Å; L15-F34 HydrophobicContact CD1-CB 3.62Å; L15-F34 HydrophobicContact CD1-CD1 4.29Å; L15-F34 HydrophobicContact CD1-CD2 3.76Å; L15-F34 HydrophobicContact CD1-CE2 4.46Å; L15-F34 HydrophobicContact CD1-CG 3.65Å; L15-F34 HydrophobicContact CD2-CB 4.1Å; L15-F85 HydrophobicContact CD1-CE2 4.17Å
16R90.7Very high92.4Very high124 Ų12453.3 Ų53.347%0.46828%0.275SS..THydrogen-bonded Turntrans-95.3-21.1170-70.316778.9-156.716.6112.4L12 Q13 L14 C94 S95L12-R16 WeakPolarHBondContact O-CG 3.42Å; L12-R16 PolarHBondContact O-N 2.74Å; Q13-R16 PolarHBondContact O-N 3.14Å; Q13-R16 VanDerWaalsContact O-N 3.12Å; L14-R16 VanDerWaalsContact C-N 3.25Å; L14-R16 PolarHBondContact O-N 3.21Å; R16-C94 PolarHBondContact NH2-O 3.34Å; R16-S95 PolarHBondContact NH2-OG 2.79Å
17E89.9Confident92.3Very high105 Ų10554.1 Ų54.149%0.49128%0.279SS..SBendtrans-93.8106-172.7177.6169.9-10000110.3Q13 L14 G19 N20Q13-E17 PolarHBondContact O-N 3.46Å; L14-E17 PolarHBondContact O-N 3.26Å; E17-G19 PolarHBondContact O-N 3Å; E17-N20 WeakPolarHBondContact CB-ND2 3.38Å; E17-N20 WeakPolarHBondContact O-CB 3.19Å; E17-N20 PolarHBondContact O-N 3.22Å; E17-N20 PolarHBondContact OE2-ND2 3.06Å
18Q77.3Confident92.1Very high197 Ų19756 Ų5692%0.92129%0.293SS*.G310 helixtrans-63.9-18.3-162.4-59.6-148.185.300115.4N20Q18-N20 PolarHBondContact O-N 3.11Å
19G84.3Confident91.6Very high58 Ų5861.5 Ų61.560%0.59831%0.314SS*.G310 helixtrans-66.5-22.9172.300000114E17 G21 H22E17-G19 PolarHBondContact O-N 3Å; G19-G21 VanDerWaalsContact C-N 3.33Å; G19-G21 PolarHBondContact O-N 3.4Å; G19-H22 PolarHBondContact O-CE1 3.47Å; G19-H22 VanDerWaalsContact O-CE1 3.32Å; G19-H22 PolarHBondContact O-ND1 3.48Å
20N89.3Confident91.2Very high21 Ų2165 Ų6511%0.11234%0.335CS..G310 helixtrans-84.32.9-170.6-65.5-31.3000114.8L14 E17 Q18 H22 I23 I24L14-N20 WeakPolarHBondContact O-CB 3.22Å; L14-N20 PolarHBondContact O-ND2 3.3Å; E17-N20 WeakPolarHBondContact CB-ND2 3.38Å; E17-N20 WeakPolarHBondContact O-CB 3.19Å; E17-N20 PolarHBondContact O-N 3.22Å; E17-N20 PolarHBondContact OE2-ND2 3.06Å; Q18-N20 PolarHBondContact O-N 3.11Å; N20-H22 PolarHBondContact O-N 3.45Å; N20-I23 HydrophobicContact CB-CD1 4Å; N20-I23 HydrophobicContact CB-CG1 3.8Å; N20-I23 WeakPolarHBondContact O-CG1 3.42Å; N20-I23 PolarHBondContact O-N 3.29Å; N20-I24 HydrophobicContact CB-CG2 4.41Å; N20-I24 PolarHBondContact O-N 2.79Å; N20-I24 VanDerWaalsContact O-O 3.05Å
21G89.4Confident90.8Very high41 Ų4165.3 Ų65.342%0.42334%0.342SS..G310 helixtrans-55.9-22.5-178.200000114.9G19 I24G19-G21 VanDerWaalsContact C-N 3.33Å; G19-G21 PolarHBondContact O-N 3.4Å; G21-I24 WeakPolarHBondContact CA-O 2.91Å
22H93.3Very high90.6Very high132 Ų13265.3 Ų65.361%0.61134%0.342SS*.G310 helixtrans-78.3-21175.970.3-78.5000114.2G19 N20 V37G19-H22 PolarHBondContact O-CE1 3.47Å; G19-H22 VanDerWaalsContact O-CE1 3.32Å; G19-H22 PolarHBondContact O-ND1 3.48Å; N20-H22 PolarHBondContact O-N 3.45Å; H22-V37 WeakPolarHBondContact O-CB 3.23Å; H22-V37 WeakPolarHBondContact O-CG1 3.44Å
23I95.8Very high90.7Very high3 Ų366.6 Ų66.62%0.01535%0.347CS..THydrogen-bonded Turntrans-105.1-36.4176.159.2167000112.2L14 N20 L36 V37 D38 E41 V42 L45L14-I23 HydrophobicContact CD1-CD1 4.28Å; L14-I23 HydrophobicContact CD2-CD1 4.48Å; N20-I23 HydrophobicContact CB-CD1 4Å; N20-I23 HydrophobicContact CB-CG1 3.8Å; N20-I23 WeakPolarHBondContact O-CG1 3.42Å; N20-I23 PolarHBondContact O-N 3.29Å; I23-L36 CarbonylContact O-C 3.45Å; I23-V37 PolarHBondContact O-N 2.82Å; I23-D38 HydrophobicContact CG2-CB 4.31Å; I23-D38 PolarHBondContact O-N 2.99Å; I23-D38 VanDerWaalsContact O-N 3.15Å; I23-E41 HydrophobicContact CG2-CB 3.96Å; I23-E41 HydrophobicContact CG2-CG 3.56Å; I23-V42 HydrophobicContact CB-CG2 4.03Å; I23-V42 HydrophobicContact CD1-CG2 4.33Å; I23-V42 HydrophobicContact CG1-CG2 4.36Å; I23-L45 HydrophobicContact CD1-CD1 3.32Å
24I96.6Very high90.9Very high3 Ų362.7 Ų62.72%0.01533%0.329CS..EExtended strand (participates in β ladder)trans-152.7133.5-178.4-159.1174000110.4L11 L14 L15 N20 G21 F34 K35 L36 V42L11-I24 HydrophobicContact CB-CD1 4.36Å; L11-I24 HydrophobicContact CD2-CD1 3.71Å; L14-I24 HydrophobicContact CB-CG2 3.69Å; L14-I24 HydrophobicContact CD1-CG2 4.38Å; L15-I24 HydrophobicContact CD1-CD1 3.99Å; L15-I24 HydrophobicContact CD1-CG1 4.25Å; L15-I24 HydrophobicContact CD2-CB 4.41Å; L15-I24 HydrophobicContact CD2-CD1 4.49Å; L15-I24 HydrophobicContact CD2-CG1 3.92Å; L15-I24 HydrophobicContact CD2-CG2 4.11Å; L15-I24 HydrophobicContact CG-CD1 3.98Å; L15-I24 HydrophobicContact CG-CG1 3.95Å; L15-I24 HydrophobicContact CG-CG2 3.99Å; N20-I24 HydrophobicContact CB-CG2 4.41Å; N20-I24 PolarHBondContact O-N 2.79Å; N20-I24 VanDerWaalsContact O-O 3.05Å; G21-I24 WeakPolarHBondContact CA-O 2.91Å; I24-F34 HydrophobicContact CD1-CD2 3.92Å; I24-F34 HydrophobicContact CD1-CE2 4.14Å; I24-F34 HydrophobicContact CG1-CD2 4.14Å; I24-K35 WeakPolarHBondContact CA-O 3.22Å; I24-K35 WeakPolarHBondContact CG1-O 3.46Å; I24-L36 HydrophobicContact CD1-CD1 4.25Å; I24-L36 HydrophobicContact CD1-CG 4.15Å; I24-L36 HydrophobicContact CG1-CG 4.28Å; I24-V42 HydrophobicContact CB-CG2 4.03Å
25S95.1Very high91Very high36 Ų3666.1 Ų66.125%0.25234%0.344SS..EExtended strand (participates in β ladder)trans-146.4153.3-174.949.60000113F34 K35 V37S25-F34 CarbonylContact O-C 3.58Å; S25-F34 VanDerWaalsContact O-CA 3.26Å; S25-F34 WeakPolarHBondContact O-CA 3.3Å; S25-K35 PolarHBondContact N-O 2.91Å; S25-K35 PolarHBondContact O-N 2.82Å; S25-V37 VanDerWaalsContact OG-CG2 3.3Å; S25-V37 WeakPolarHBondContact OG-CG2 3.41Å
26W94.9Very high91.2Very high62 Ų6265.4 Ų65.424%0.23534%0.34CS..EExtended strand (participates in β ladder)trans-72.4128.7171.9-64.4106.2000110.4L12 L15 E33 F34 F85 Y88L12-W26 HydrophobicContact CD1-CH2 4.06Å; L12-W26 HydrophobicContact CD1-CZ2 3.99Å; L15-W26 HydrophobicContact CB-CH2 4.35Å; L15-W26 HydrophobicContact CB-CZ2 3.5Å; L15-W26 HydrophobicContact CD1-CH2 3.72Å; L15-W26 HydrophobicContact CD1-CZ2 3.72Å; L15-W26 HydrophobicContact CD1-CZ3 4.21Å; L15-W26 HydrophobicContact CD2-CD2 4.11Å; L15-W26 HydrophobicContact CD2-CG 4.24Å; L15-W26 HydrophobicContact CD2-CZ2 4.29Å; L15-W26 HydrophobicContact CG-CZ2 4.04Å; L15-W26 PolarHBondContact O-NE1 2.9Å; W26-E33 CarbonylContact C-O 3.5Å; W26-F34 HydrophobicContact CE3-CB 3.91Å; W26-F34 HydrophobicContact CZ3-CB 3.95Å; W26-F34 HydrophobicContact CZ3-CD1 4.28Å; W26-F85 AromaticContact CH2-CD2 3.82Å; W26-F85 HydrophobicContact CH2-CD2 3.82Å; W26-F85 AromaticContact CH2-CE2 3.77Å; W26-F85 HydrophobicContact CH2-CE2 3.77Å; W26-F85 AromaticContact CZ3-CD2 3.98Å; W26-F85 HydrophobicContact CZ3-CD2 3.98Å; W26-F85 HydrophobicContact CZ3-CE2 4.23Å; W26-Y88 AromaticContact CH2-CD2 3.92Å; W26-Y88 HydrophobicContact CH2-CD2 3.92Å; W26-Y88 AromaticContact CH2-CE2 3.14Å; W26-Y88 HydrophobicContact CH2-CE2 3.14Å; W26-Y88 AromaticContact CH2-CZ 3.61Å; W26-Y88 AromaticContact CZ2-CE2 3.68Å; W26-Y88 HydrophobicContact CZ2-CE2 3.68Å; W26-Y88 AromaticContact CZ2-CZ 3.81Å; W26-Y88 WeakPolarHBondContact CZ2-OH 3.13Å; W26-Y88 HydrophobicContact CZ3-CD2 4.2Å; W26-Y88 AromaticContact CZ3-CE2 3.7Å; W26-Y88 HydrophobicContact CZ3-CE2 3.7Å; W26-Y88 AromaticContact CZ3-CZ 3.97Å
27T93.4Very high91.5Very high68 Ų6862.8 Ų62.842%0.41734%0.338SS..EExtended strand (participates in β ladder)trans-96-28.1169.153.80000111.7E33 K35T27-E33 PolarHBondContact N-O 2.97Å; T27-E33 WeakPolarHBondContact OG1-CB 3.4Å; T27-E33 PolarHBondContact OG1-O 2.9Å; T27-K35 HydrophobicContact CG2-CB 3.71Å
28S91.1Very high91.8Very high43 Ų4361.3 Ų61.330%0.30133%0.333SS..EExtended strand (participates in β ladder)trans-144.7115.3162.2174.10000107.8G31 G32 E33S28-G31 PolarHBondContact OG-N 3.02Å; S28-G32 PolarHBondContact O-N 3.09Å; S28-G32 VanDerWaalsContact O-N 3.17Å; S28-E33 PolarHBondContact N-O 2.86Å; S28-E33 VanDerWaalsContact N-O 3.08Å; S28-E33 PolarHBondContact O-N 3.39Å
29R85.6Confident92.8Very high177 Ų17752.4 Ų52.467%0.66829%0.293SS*.THydrogen-bonded Turntrans-66.7-49.9-179.5-169.2176.6-175.5170.1-0.3109.9G31 G32 Y88R29-G31 VanDerWaalsContact C-N 3.32Å; R29-G31 PolarHBondContact O-N 3.17Å; R29-G32 PolarHBondContact O-N 3.42Å; R29-Y88 WeakPolarHBondContact O-CD1 3.44Å; R29-Y88 WeakPolarHBondContact O-CE1 3.4Å
30D84.6Confident93.4Very high152 Ų15254.5 Ų54.581%0.81329%0.287SS*.THydrogen-bonded Turntrans-65.5-35.8-176.3-41.5-87000111.8G32D30-G32 VanDerWaalsContact C-N 3.33Å
31G86.5Confident93.7Very high21 Ų2155.9 Ų55.922%0.21629%0.293CS..THydrogen-bonded Turntrans-78.2-9.9173.500000114.9S28 R29 E33 K84S28-G31 PolarHBondContact OG-N 3.02Å; R29-G31 VanDerWaalsContact C-N 3.32Å; R29-G31 PolarHBondContact O-N 3.17Å; G31-E33 PolarHBondContact O-N 3.35Å; G31-K84 WeakPolarHBondContact O-CE 3.38Å
32G91.9Very high94.1Very high0 Ų054 Ų540%027%0.273CS..THydrogen-bonded Turntrans6427.3-171.600000114.1S28 R29 D30 K84 F85 Y88S28-G32 PolarHBondContact O-N 3.09Å; S28-G32 VanDerWaalsContact O-N 3.17Å; R29-G32 PolarHBondContact O-N 3.42Å; D30-G32 VanDerWaalsContact C-N 3.33Å; G32-K84 WeakPolarHBondContact O-CA 3.23Å; G32-F85 PolarHBondContact O-N 3.12Å; G32-Y88 VanDerWaalsContact CA-CD1 3.49Å
33E95.8Very high94.3Very high45 Ų4547.7 Ų47.721%0.2124%0.244CC..EExtended strand (participates in β ladder)trans-92.6129.2178.6-59.7-170172.600110.8W26 T27 S28 G31 Y83 K84W26-E33 CarbonylContact C-O 3.5Å; T27-E33 PolarHBondContact N-O 2.97Å; T27-E33 WeakPolarHBondContact OG1-CB 3.4Å; T27-E33 PolarHBondContact OG1-O 2.9Å; S28-E33 PolarHBondContact N-O 2.86Å; S28-E33 VanDerWaalsContact N-O 3.08Å; S28-E33 PolarHBondContact O-N 3.39Å; G31-E33 PolarHBondContact O-N 3.35Å; E33-Y83 WeakPolarHBondContact CA-O 3.45Å; E33-K84 HydrophobicContact CG-CB 4.05Å; E33-K84 HydrophobicContact CG-CD 3.63Å; E33-K84 HydrophobicContact CG-CG 3.72Å; E33-K84 WeakPolarHBondContact OE1-CD 3.45Å; E33-K84 VanDerWaalsContact OE1-CE 3.22Å; E33-K84 WeakPolarHBondContact OE1-CE 3.27Å; E33-K84 IonicContact OE1-NZ 2.67Å; E33-K84 PolarHBondContact OE1-NZ 3.05Å
34F96.1Very high94.4Very high0 Ų053.7 Ų53.70%027%0.267CS..EExtended strand (participates in β ladder)trans-137.3153-17668.7-83000111.9L11 L15 I24 S25 W26 L36 I73 V82 Y83 F85L11-F34 HydrophobicContact CD1-CE2 4.43Å; L11-F34 HydrophobicContact CD1-CZ 4.46Å; L15-F34 HydrophobicContact CD1-CB 3.62Å; L15-F34 HydrophobicContact CD1-CD1 4.29Å; L15-F34 HydrophobicContact CD1-CD2 3.76Å; L15-F34 HydrophobicContact CD1-CE2 4.46Å; L15-F34 HydrophobicContact CD1-CG 3.65Å; L15-F34 HydrophobicContact CD2-CB 4.1Å; I24-F34 HydrophobicContact CD1-CD2 3.92Å; I24-F34 HydrophobicContact CD1-CE2 4.14Å; I24-F34 HydrophobicContact CG1-CD2 4.14Å; S25-F34 CarbonylContact O-C 3.58Å; S25-F34 VanDerWaalsContact O-CA 3.26Å; S25-F34 WeakPolarHBondContact O-CA 3.3Å; W26-F34 HydrophobicContact CE3-CB 3.91Å; W26-F34 HydrophobicContact CZ3-CB 3.95Å; W26-F34 HydrophobicContact CZ3-CD1 4.28Å; F34-L36 HydrophobicContact CD2-CD1 4.07Å; F34-L36 HydrophobicContact CE2-CD1 3.73Å; F34-I73 HydrophobicContact CE1-CG1 4.5Å; F34-I73 HydrophobicContact CE1-CG2 4.44Å; F34-I73 HydrophobicContact CZ-CD1 4.17Å; F34-I73 HydrophobicContact CZ-CG2 4.39Å; F34-V82 CarbonylContact O-C 3.28Å; F34-V82 WeakPolarHBondContact O-CA 3.43Å; F34-V82 WeakPolarHBondContact O-CG1 3.44Å; F34-Y83 WeakPolarHBondContact CD1-O 3.4Å; F34-Y83 HydrophobicContact CZ-CG 4.4Å; F34-Y83 PolarHBondContact N-O 3.03Å; F34-Y83 PolarHBondContact O-N 2.96Å; F34-F85 AromaticContact CD1-CD2 3.57Å; F34-F85 HydrophobicContact CD1-CD2 3.57Å; F34-F85 AromaticContact CD1-CE2 3.49Å; F34-F85 HydrophobicContact CD1-CE2 3.49Å; F34-F85 VanDerWaalsContact CD1-CE2 3.49Å; F34-F85 AromaticContact CE1-CD2 3.45Å; F34-F85 HydrophobicContact CE1-CD2 3.45Å; F34-F85 VanDerWaalsContact CE1-CD2 3.45Å; F34-F85 AromaticContact CE1-CE2 3.27Å; F34-F85 HydrophobicContact CE1-CE2 3.27Å; F34-F85 HydrophobicContact CE1-CG 4.25Å; F34-F85 AromaticContact CE1-CZ 3.96Å; F34-F85 HydrophobicContact CE1-CZ 3.96Å; F34-F85 HydrophobicContact CG-CE2 4.32Å; F34-F85 HydrophobicContact CZ-CD2 4.48Å; F34-F85 AromaticContact CZ-CE2 3.94Å; F34-F85 HydrophobicContact CZ-CE2 3.94Å; F34-F85 HydrophobicContact CZ-CZ 4.26Å
35K96.8Very high94.3Very high85 Ų8555.3 Ų55.337%0.3728%0.275SS..EExtended strand (participates in β ladder)trans-119130.1178.2-179.3175175.3-168.80109.5I24 S25 T27 V37 V82I24-K35 WeakPolarHBondContact CA-O 3.22Å; I24-K35 WeakPolarHBondContact CG1-O 3.46Å; S25-K35 PolarHBondContact N-O 2.91Å; S25-K35 PolarHBondContact O-N 2.82Å; T27-K35 HydrophobicContact CG2-CB 3.71Å; K35-V37 HydrophobicContact CG-CG2 4.43Å; K35-V37 PolarHBondContact O-N 3.18Å; K35-V82 HydrophobicContact CB-CG2 3.93Å; K35-V82 HydrophobicContact CD-CG2 4.12Å; K35-V82 HydrophobicContact CG-CG2 3.87Å
36L97.3Very high94.4Very high0 Ų054.8 Ų54.80%027%0.268CS..EExtended strand (participates in β ladder)trans-74.9113.6157.9-67.671.7000106.2I23 I24 F34 A39 V42 Y57 L60 F81 Y83I23-L36 CarbonylContact O-C 3.45Å; I24-L36 HydrophobicContact CD1-CD1 4.25Å; I24-L36 HydrophobicContact CD1-CG 4.15Å; I24-L36 HydrophobicContact CG1-CG 4.28Å; F34-L36 HydrophobicContact CD2-CD1 4.07Å; F34-L36 HydrophobicContact CE2-CD1 3.73Å; L36-A39 HydrophobicContact CB-CB 4.29Å; L36-A39 HydrophobicContact CD2-CB 4.43Å; L36-V42 HydrophobicContact CD2-CB 4.02Å; L36-V42 HydrophobicContact CD2-CG1 3.76Å; L36-V42 HydrophobicContact CD2-CG2 4.39Å; L36-V42 HydrophobicContact CG-CB 4.47Å; L36-V42 HydrophobicContact CG-CG1 4.27Å; L36-V42 HydrophobicContact CG-CG2 4.3Å; L36-Y57 HydrophobicContact CD2-CD2 4.32Å; L36-Y57 HydrophobicContact CD2-CE2 4.16Å; L36-L60 HydrophobicContact CD2-CD2 4.41Å; L36-F81 HydrophobicContact CB-CB 4.24Å; L36-F81 PolarHBondContact N-O 3.23Å; L36-F81 WeakPolarHBondContact O-CB 3.38Å; L36-Y83 HydrophobicContact CD1-CD2 3.93Å; L36-Y83 HydrophobicContact CD1-CE2 4.3Å
37V96.7Very high94.5Very high70 Ų7052 Ų5242%0.42426%0.257SS..SBendtrans-80.1-50.2179.2179.90000108.8H22 I23 S25 K35H22-V37 WeakPolarHBondContact O-CB 3.23Å; H22-V37 WeakPolarHBondContact O-CG1 3.44Å; I23-V37 PolarHBondContact O-N 2.82Å; S25-V37 VanDerWaalsContact OG-CG2 3.3Å; S25-V37 WeakPolarHBondContact OG-CG2 3.41Å; K35-V37 HydrophobicContact CG-CG2 4.43Å; K35-V37 PolarHBondContact O-N 3.18Å
38D97Very high94.5Very high74 Ų7454.3 Ų54.340%0.39627%0.267SS..SBendtrans-106.9111.8160.8-169.6-35.6000108.7I23 E40 E41 V42I23-D38 HydrophobicContact CG2-CB 4.31Å; I23-D38 PolarHBondContact O-N 2.99Å; I23-D38 VanDerWaalsContact O-N 3.15Å; D38-E40 PolarHBondContact OD1-N 3.08Å; D38-E41 HydrophobicContact CB-CB 4.06Å; D38-E41 PolarHBondContact OD1-N 2.8Å; D38-V42 VanDerWaalsContact O-CG2 3.27Å; D38-V42 WeakPolarHBondContact O-CG2 3.26Å
39A96.9Very high94.7Very high9 Ų955.2 Ų55.27%0.07426%0.264CS..Hα-helixtrans-80.9-24.5-176.600000113.4L36 A43 Y57 F81L36-A39 HydrophobicContact CB-CB 4.29Å; L36-A39 HydrophobicContact CD2-CB 4.43Å; A39-A43 PolarHBondContact O-N 3.06Å; A39-Y57 HydrophobicContact CB-CD1 4.44Å; A39-Y57 HydrophobicContact CB-CD2 3.62Å; A39-Y57 HydrophobicContact CB-CE2 4.02Å; A39-Y57 HydrophobicContact CB-CG 3.84Å; A39-F81 HydrophobicContact CB-CD1 3.49Å; A39-F81 VanDerWaalsContact CB-CD1 3.49Å; A39-F81 HydrophobicContact CB-CE1 3.56Å; A39-F81 HydrophobicContact CB-CG 4.21Å; A39-F81 HydrophobicContact CB-CZ 4.31Å
40E97.3Very high95.1Very high103 Ų10350.2 Ų50.248%0.48125%0.247SC..Hα-helixtrans-86.7-37179.6-64.4-62.1167.400111D38 A43 R44 Y57D38-E40 PolarHBondContact OD1-N 3.08Å; E40-A43 CarbonylContact O-C 3.59Å; E40-A43 WeakPolarHBondContact O-CA 3.31Å; E40-A43 WeakPolarHBondContact O-CB 3.32Å; E40-A43 PolarHBondContact O-N 3.06Å; E40-R44 PolarHBondContact O-N 3.17Å; E40-Y57 VanDerWaalsContact CD-CB 3.49Å; E40-Y57 VanDerWaalsContact OE1-CB 3.27Å; E40-Y57 WeakPolarHBondContact OE1-CB 3.43Å; E40-Y57 PolarHBondContact OE2-N 3.12Å
41E96.6Very high95.5Very high50 Ų5049.5 Ų49.523%0.23424%0.243CC..Hα-helixtrans-67.1-39.4176.3-178.354.8-157.800111.9I23 D38 A43 R44 L45I23-E41 HydrophobicContact CG2-CB 3.96Å; I23-E41 HydrophobicContact CG2-CG 3.56Å; D38-E41 HydrophobicContact CB-CB 4.06Å; D38-E41 PolarHBondContact OD1-N 2.8Å; E41-A43 PolarHBondContact O-N 3.3Å; E41-R44 VanDerWaalsContact CD-NE 3.27Å; E41-R44 PolarHBondContact O-N 3.3Å; E41-R44 VanDerWaalsContact O-N 3.16Å; E41-R44 IonicContact OE1-CZ 3.03Å; E41-R44 VanDerWaalsContact OE1-CZ 3.25Å; E41-R44 IonicContact OE1-NE 3.7Å; E41-R44 PolarHBondContact OE1-NE 3.04Å; E41-R44 IonicContact OE1-NH2 3.25Å; E41-R44 PolarHBondContact OE1-NH2 2.73Å; E41-R44 VanDerWaalsContact OE2-CD 3.32Å; E41-R44 WeakPolarHBondContact OE2-CD 3.35Å; E41-R44 IonicContact OE2-CZ 2.72Å; E41-R44 IonicContact OE2-NE 3.84Å; E41-R44 PolarHBondContact OE2-NE 2.95Å; E41-R44 IonicContact OE2-NH2 2.66Å; E41-L45 HydrophobicContact CG-CD1 4.22Å; E41-L45 WeakPolarHBondContact O-CB 3.2Å; E41-L45 WeakPolarHBondContact O-CG 3.47Å; E41-L45 PolarHBondContact O-N 3.23Å; E41-L45 WeakPolarHBondContact OE1-CG 3.42Å
42V97.4Very high95.9Very high0 Ų054.5 Ų54.50%026%0.259CS..Hα-helixtrans-57.5-36.4168.71710000111.3L11 L14 I23 I24 L36 D38 W46 L60L11-V42 HydrophobicContact CD2-CG1 3.46Å; L11-V42 VanDerWaalsContact CD2-CG1 3.46Å; L14-V42 HydrophobicContact CD1-CG1 4.25Å; L14-V42 HydrophobicContact CD1-CG2 4.42Å; I23-V42 HydrophobicContact CB-CG2 4.03Å; I23-V42 HydrophobicContact CD1-CG2 4.33Å; I23-V42 HydrophobicContact CG1-CG2 4.36Å; I24-V42 HydrophobicContact CB-CG2 4.03Å; L36-V42 HydrophobicContact CD2-CB 4.02Å; L36-V42 HydrophobicContact CD2-CG1 3.76Å; L36-V42 HydrophobicContact CD2-CG2 4.39Å; L36-V42 HydrophobicContact CG-CB 4.47Å; L36-V42 HydrophobicContact CG-CG1 4.27Å; L36-V42 HydrophobicContact CG-CG2 4.3Å; D38-V42 VanDerWaalsContact O-CG2 3.27Å; D38-V42 WeakPolarHBondContact O-CG2 3.26Å; V42-W46 WeakPolarHBondContact O-CB 3.36Å; V42-W46 PolarHBondContact O-N 3.21Å; V42-L60 HydrophobicContact CG1-CD1 4.11Å
43A97.8Very high96Very high0 Ų060.8 Ų60.80%030%0.297CS..Hα-helixtrans-75.5-34.4176.400000113.3A39 E40 E41 W46 G47 M55 L60A39-A43 PolarHBondContact O-N 3.06Å; E40-A43 CarbonylContact O-C 3.59Å; E40-A43 WeakPolarHBondContact O-CA 3.31Å; E40-A43 WeakPolarHBondContact O-CB 3.32Å; E40-A43 PolarHBondContact O-N 3.06Å; E41-A43 PolarHBondContact O-N 3.3Å; A43-W46 PolarHBondContact O-N 2.64Å; A43-G47 PolarHBondContact O-N 3.09Å; A43-M55 HydrophobicContact CB-CG 4.42Å; A43-M55 WeakPolarHBondContact O-CG 3.21Å; A43-L60 HydrophobicContact CB-CB 4.24Å; A43-L60 HydrophobicContact CB-CD1 3.92Å
44R96.9Very high95.9Very high130 Ų13064.8 Ų64.849%0.49132%0.32SS..Hα-helixtrans-63.8-45.1173-166.8-165.169.9861.6110.8E40 E41 G47 L48E40-R44 PolarHBondContact O-N 3.17Å; E41-R44 VanDerWaalsContact CD-NE 3.27Å; E41-R44 PolarHBondContact O-N 3.3Å; E41-R44 VanDerWaalsContact O-N 3.16Å; E41-R44 IonicContact OE1-CZ 3.03Å; E41-R44 VanDerWaalsContact OE1-CZ 3.25Å; E41-R44 IonicContact OE1-NE 3.7Å; E41-R44 PolarHBondContact OE1-NE 3.04Å; E41-R44 IonicContact OE1-NH2 3.25Å; E41-R44 PolarHBondContact OE1-NH2 2.73Å; E41-R44 VanDerWaalsContact OE2-CD 3.32Å; E41-R44 WeakPolarHBondContact OE2-CD 3.35Å; E41-R44 IonicContact OE2-CZ 2.72Å; E41-R44 IonicContact OE2-NE 3.84Å; E41-R44 PolarHBondContact OE2-NE 2.95Å; E41-R44 IonicContact OE2-NH2 2.66Å; R44-G47 CarbonylContact O-C 3.59Å; R44-G47 WeakPolarHBondContact O-CA 3.23Å; R44-G47 PolarHBondContact O-N 2.97Å; R44-L48 PolarHBondContact O-N 3.42Å
45L95.8Very high96Very high37 Ų3766.8 Ų66.819%0.19433%0.33CS..Hα-helixtrans-66.7-37.9176.3-68167.3000112F10 I23 E41 G47 L48 R49F10-L45 HydrophobicContact CZ-CB 3.85Å; I23-L45 HydrophobicContact CD1-CD1 3.32Å; E41-L45 HydrophobicContact CG-CD1 4.22Å; E41-L45 WeakPolarHBondContact O-CB 3.2Å; E41-L45 WeakPolarHBondContact O-CG 3.47Å; E41-L45 PolarHBondContact O-N 3.23Å; E41-L45 WeakPolarHBondContact OE1-CG 3.42Å; L45-G47 VanDerWaalsContact C-N 3.34Å; L45-L48 PolarHBondContact O-N 2.97Å; L45-R49 WeakPolarHBondContact O-CB 3.2Å; L45-R49 PolarHBondContact O-N 2.93Å
46W96.4Very high96.1Very high25 Ų2565.5 Ų65.510%0.09533%0.327CS..Hα-helixtrans-63.8-40.3170.3178.2-125.3000112V5 L7 F10 V42 A43 R49 K50 L60V5-W46 HydrophobicContact CG1-CZ3 4.25Å; L7-W46 HydrophobicContact CB-CH2 4.08Å; L7-W46 HydrophobicContact CB-CZ2 3.82Å; L7-W46 HydrophobicContact CD1-CD2 3.79Å; L7-W46 HydrophobicContact CD1-CE3 4.23Å; L7-W46 HydrophobicContact CD1-CG 3.94Å; L7-W46 HydrophobicContact CD1-CZ2 4.45Å; F10-W46 HydrophobicContact CB-CE3 3.79Å; F10-W46 HydrophobicContact CB-CZ3 3.64Å; F10-W46 HydrophobicContact CD1-CB 4.16Å; F10-W46 HydrophobicContact CD1-CD2 4.2Å; F10-W46 AromaticContact CD1-CE3 3.53Å; F10-W46 HydrophobicContact CD1-CE3 3.53Å; F10-W46 HydrophobicContact CD1-CG 4.49Å; F10-W46 HydrophobicContact CD1-CZ3 4.28Å; F10-W46 HydrophobicContact CD2-CE3 4.08Å; F10-W46 HydrophobicContact CD2-CZ3 4.48Å; F10-W46 HydrophobicContact CE1-CB 3.65Å; F10-W46 HydrophobicContact CE1-CE3 4.1Å; F10-W46 HydrophobicContact CE1-CG 4.43Å; F10-W46 AromaticContact CG-CE3 3.51Å; F10-W46 HydrophobicContact CG-CE3 3.51Å; F10-W46 AromaticContact CG-CZ3 3.89Å; F10-W46 HydrophobicContact CG-CZ3 3.89Å; F10-W46 HydrophobicContact CZ-CB 4.17Å; V42-W46 WeakPolarHBondContact O-CB 3.36Å; V42-W46 PolarHBondContact O-N 3.21Å; A43-W46 PolarHBondContact O-N 2.64Å; W46-R49 PolarHBondContact O-N 3.15Å; W46-K50 HydrophobicContact CD2-CG 4.01Å; W46-K50 HydrophobicContact CE3-CD 4.44Å; W46-K50 HydrophobicContact CE3-CG 3.92Å; W46-K50 HydrophobicContact CH2-CD 3.57Å; W46-K50 HydrophobicContact CH2-CG 3.63Å; W46-K50 HydrophobicContact CZ2-CD 4.07Å; W46-K50 HydrophobicContact CZ2-CG 3.69Å; W46-K50 HydrophobicContact CZ3-CD 3.78Å; W46-K50 HydrophobicContact CZ3-CG 3.74Å; W46-K50 PolarHBondContact O-N 3.4Å; W46-K50 VanDerWaalsContact O-N 3.11Å; W46-L60 HydrophobicContact CB-CD1 3.92Å; W46-L60 HydrophobicContact CG-CD1 4.15Å
47G96.1Very high96.1Very high2 Ų267.3 Ų67.32%0.02133%0.334CS..Hα-helixtrans-57.2-52.4172.200000111.8A43 R44 L45 R49 K50 N51 K52 M55A43-G47 PolarHBondContact O-N 3.09Å; R44-G47 CarbonylContact O-C 3.59Å; R44-G47 WeakPolarHBondContact O-CA 3.23Å; R44-G47 PolarHBondContact O-N 2.97Å; L45-G47 VanDerWaalsContact C-N 3.34Å; G47-R49 PolarHBondContact O-N 3.46Å; G47-K50 CarbonylContact O-C 3.58Å; G47-K50 PolarHBondContact O-N 2.91Å; G47-N51 CarbonylContact O-C 3.5Å; G47-N51 WeakPolarHBondContact O-CA 3.45Å; G47-N51 PolarHBondContact O-N 3.39Å; G47-K52 CarbonylContact C-O 3.56Å; G47-K52 WeakPolarHBondContact CA-O 3.33Å; G47-K52 PolarHBondContact O-N 3.28Å; G47-M55 VanDerWaalsContact CA-CB 3.47Å
48L94.8Very high96.2Very high117 Ų11768.6 Ų68.661%0.61334%0.339SS*.Hα-helixtrans-56-48.8175.2-176.561.8000111.3R44 L45 K50 N51R44-L48 PolarHBondContact O-N 3.42Å; L45-L48 PolarHBondContact O-N 2.97Å; L48-K50 PolarHBondContact O-N 3.16Å; L48-K50 VanDerWaalsContact O-N 3.17Å; L48-N51 PolarHBondContact O-N 3Å; L48-N51 VanDerWaalsContact O-N 3.14Å
49R93.6Very high96.2Very high63 Ų6370 Ų7024%0.23834%0.341CS..Hα-helixtrans-63.1-22.3-179.3-174.954.2180-107.71.7114.3M1 D2 V5 F10 L45 W46 G47M1-R49 PolarHBondContact SD-NH1 3.4Å; D2-R49 PolarHBondContact O-NE 3.28Å; D2-R49 VanDerWaalsContact O-NE 3.15Å; D2-R49 PolarHBondContact O-NH2 3.21Å; V5-R49 HydrophobicContact CG1-CG 3.91Å; F10-R49 HydrophobicContact CD2-CB 4.21Å; F10-R49 HydrophobicContact CD2-CG 3.96Å; F10-R49 HydrophobicContact CE2-CB 3.97Å; F10-R49 HydrophobicContact CE2-CG 4.18Å; L45-R49 WeakPolarHBondContact O-CB 3.2Å; L45-R49 PolarHBondContact O-N 2.93Å; W46-R49 PolarHBondContact O-N 3.15Å; G47-R49 PolarHBondContact O-N 3.46Å
50K94.1Very high96.2Very high71 Ų7169.7 Ų69.731%0.30934%0.338SS..THydrogen-bonded Turntrans-112.610.1177.7-56.3-63.2-73.9-164.30113.5P3 V5 W46 G47 L48 K52P3-K50 PolarHBondContact O-NZ 2.96Å; V5-K50 PolarHBondContact O-NZ 3.3Å; W46-K50 HydrophobicContact CD2-CG 4.01Å; W46-K50 HydrophobicContact CE3-CD 4.44Å; W46-K50 HydrophobicContact CE3-CG 3.92Å; W46-K50 HydrophobicContact CH2-CD 3.57Å; W46-K50 HydrophobicContact CH2-CG 3.63Å; W46-K50 HydrophobicContact CZ2-CD 4.07Å; W46-K50 HydrophobicContact CZ2-CG 3.69Å; W46-K50 HydrophobicContact CZ3-CD 3.78Å; W46-K50 HydrophobicContact CZ3-CG 3.74Å; W46-K50 PolarHBondContact O-N 3.4Å; W46-K50 VanDerWaalsContact O-N 3.11Å; G47-K50 CarbonylContact O-C 3.58Å; G47-K50 PolarHBondContact O-N 2.91Å; L48-K50 PolarHBondContact O-N 3.16Å; L48-K50 VanDerWaalsContact O-N 3.17Å; K50-K52 VanDerWaalsContact C-N 3.3Å; K50-K52 HydrophobicContact CB-CG 4.28Å; K50-K52 PolarHBondContact O-N 3.16Å
51N94.2Very high96.3Very high137 Ų13764.9 Ų64.973%0.73332%0.316SS*.THydrogen-bonded Turntrans47.748-172.2-155.571.7000113.4G47 L48G47-N51 CarbonylContact O-C 3.5Å; G47-N51 WeakPolarHBondContact O-CA 3.45Å; G47-N51 PolarHBondContact O-N 3.39Å; L48-N51 PolarHBondContact O-N 3Å; L48-N51 VanDerWaalsContact O-N 3.14Å
52K94.8Very high96.3Very high127 Ų12767.7 Ų67.755%0.55233%0.325SS*.  trans-121.186.3175.8-61.6-56.6176-170.70109.4G47 K50 N54 M55G47-K52 CarbonylContact C-O 3.56Å; G47-K52 WeakPolarHBondContact CA-O 3.33Å; G47-K52 PolarHBondContact O-N 3.28Å; K50-K52 VanDerWaalsContact C-N 3.3Å; K50-K52 HydrophobicContact CB-CG 4.28Å; K50-K52 PolarHBondContact O-N 3.16Å; K52-N54 PolarHBondContact O-N 3.4Å; K52-M55 HydrophobicContact CB-CE 4.16Å; K52-M55 WeakPolarHBondContact O-CB 3.35Å; K52-M55 PolarHBondContact O-N 3.05Å
53T93.1Very high96.3Very high131 Ų13169.1 Ų69.180%0.80434%0.336SS*.THydrogen-bonded Turntrans-55.6-34.6177.350.70000113.3M55T53-M55 PolarHBondContact O-N 2.96Å
54N95.4Very high96.3Very high129 Ų12969.1 Ų69.169%0.6934%0.336SS*.THydrogen-bonded Turntrans-83.629.4178.3-73.5-81.6000114K52 K59K52-N54 PolarHBondContact O-N 3.4Å; N54-K59 WeakPolarHBondContact O-CD 3.3Å; N54-K59 PolarHBondContact O-NZ 3.28Å
55M97.8Very high96.3Very high43 Ų4367.9 Ų67.921%0.21233%0.331CS..  trans-85.2142.6173.6-169.16267.700110.6A43 G47 K52 T53 K59A43-M55 HydrophobicContact CB-CG 4.42Å; A43-M55 WeakPolarHBondContact O-CG 3.21Å; G47-M55 VanDerWaalsContact CA-CB 3.47Å; K52-M55 HydrophobicContact CB-CE 4.16Å; K52-M55 WeakPolarHBondContact O-CB 3.35Å; K52-M55 PolarHBondContact O-N 3.05Å; T53-M55 PolarHBondContact O-N 2.96Å; M55-K59 HydrophobicContact SD-CB 3.85Å
56N97.9Very high96.3Very high57 Ų5772.5 Ų72.531%0.30535%0.347SS..  trans-150.1171.9176.667.1-3.9000110D58 K59 L60N56-D58 VanDerWaalsContact C-N 3.29Å; N56-D58 PolarHBondContact O-N 2.82Å; N56-K59 PolarHBondContact O-N 3.09Å; N56-K59 WeakPolarHBondContact OD1-CB 3.14Å; N56-K59 WeakPolarHBondContact OD1-CD 3.48Å; N56-K59 VanDerWaalsContact OD1-CG 3.23Å; N56-K59 WeakPolarHBondContact OD1-CG 3.33Å; N56-K59 PolarHBondContact OD1-N 3.46Å; N56-K59 VanDerWaalsContact OD1-N 3.12Å; N56-L60 PolarHBondContact O-N 2.73Å
57Y98.1Very high96.4Very high39 Ų3972.8 Ų72.815%0.15335%0.349CS..Hα-helixtrans-61.5-34.1-177.2175.9-108.2000113L36 A39 E40 K59 L60 S61 F81 Y83L36-Y57 HydrophobicContact CD2-CD2 4.32Å; L36-Y57 HydrophobicContact CD2-CE2 4.16Å; A39-Y57 HydrophobicContact CB-CD1 4.44Å; A39-Y57 HydrophobicContact CB-CD2 3.62Å; A39-Y57 HydrophobicContact CB-CE2 4.02Å; A39-Y57 HydrophobicContact CB-CG 3.84Å; E40-Y57 VanDerWaalsContact CD-CB 3.49Å; E40-Y57 VanDerWaalsContact OE1-CB 3.27Å; E40-Y57 WeakPolarHBondContact OE1-CB 3.43Å; E40-Y57 PolarHBondContact OE2-N 3.12Å; Y57-K59 PolarHBondContact O-N 2.92Å; Y57-L60 PolarHBondContact O-N 3.32Å; Y57-S61 WeakPolarHBondContact O-CB 3.4Å; Y57-S61 PolarHBondContact O-N 3.36Å; Y57-S61 PolarHBondContact O-OG 3.47Å; Y57-S61 VanDerWaalsContact O-OG 3.09Å; Y57-F81 HydrophobicContact CD1-CE1 4.02Å; Y57-F81 AromaticContact CE1-CD1 3.96Å; Y57-F81 HydrophobicContact CE1-CD1 3.96Å; Y57-F81 AromaticContact CE1-CE1 3.57Å; Y57-F81 HydrophobicContact CE1-CE1 3.57Å; Y57-F81 HydrophobicContact CE2-CD1 4.04Å; Y57-F81 HydrophobicContact CE2-CE1 4.37Å; Y57-F81 AromaticContact CZ-CD1 3.61Å; Y57-F81 AromaticContact CZ-CE1 3.75Å; Y57-Y83 PolarHBondContact OH-OH 3.21Å
58D97.7Very high96.3Very high97 Ų9775.9 Ų75.952%0.51936%0.36SS..Hα-helixtrans-59.4-50.2177.3-179.1-108.8000111.5N56 L60 S61 R62N56-D58 VanDerWaalsContact C-N 3.29Å; N56-D58 PolarHBondContact O-N 2.82Å; D58-L60 PolarHBondContact O-N 3.33Å; D58-S61 PolarHBondContact O-N 2.82Å; D58-S61 PolarHBondContact O-OG 3.36Å; D58-R62 PolarHBondContact O-N 2.79Å
59K97.3Very high96.3Very high104 Ų10477 Ų7745%0.45237%0.367SS..Hα-helixtrans-63.6-41.5177.7-67.4164.9-167.3172.30112.1N54 M55 N56 Y57 R62 A63N54-K59 WeakPolarHBondContact O-CD 3.3Å; N54-K59 PolarHBondContact O-NZ 3.28Å; M55-K59 HydrophobicContact SD-CB 3.85Å; N56-K59 PolarHBondContact O-N 3.09Å; N56-K59 WeakPolarHBondContact OD1-CB 3.14Å; N56-K59 WeakPolarHBondContact OD1-CD 3.48Å; N56-K59 VanDerWaalsContact OD1-CG 3.23Å; N56-K59 WeakPolarHBondContact OD1-CG 3.33Å; N56-K59 PolarHBondContact OD1-N 3.46Å; N56-K59 VanDerWaalsContact OD1-N 3.12Å; Y57-K59 PolarHBondContact O-N 2.92Å; K59-R62 PolarHBondContact O-N 3.32Å; K59-A63 PolarHBondContact O-N 3.25Å
60L98.1Very high96.3Very high1 Ų180.8 Ų80.81%0.00539%0.385CS..Hα-helixtrans-64.3-44.7175.7-173.7154000111.3L7 L36 V42 A43 W46 N56 Y57 D58 R62 A63 L64L7-L60 HydrophobicContact CD1-CD1 3.89Å; L7-L60 HydrophobicContact CD1-CD2 4.36Å; L7-L60 HydrophobicContact CD1-CG 3.89Å; L7-L60 HydrophobicContact CD2-CD2 4.13Å; L7-L60 HydrophobicContact CD2-CG 3.92Å; L36-L60 HydrophobicContact CD2-CD2 4.41Å; V42-L60 HydrophobicContact CG1-CD1 4.11Å; A43-L60 HydrophobicContact CB-CB 4.24Å; A43-L60 HydrophobicContact CB-CD1 3.92Å; W46-L60 HydrophobicContact CB-CD1 3.92Å; W46-L60 HydrophobicContact CG-CD1 4.15Å; N56-L60 PolarHBondContact O-N 2.73Å; Y57-L60 PolarHBondContact O-N 3.32Å; D58-L60 PolarHBondContact O-N 3.33Å; L60-R62 PolarHBondContact O-N 3.46Å; L60-A63 WeakPolarHBondContact O-CA 3.34Å; L60-A63 WeakPolarHBondContact O-CB 3.47Å; L60-A63 PolarHBondContact O-N 2.66Å; L60-L64 HydrophobicContact CD2-CD1 3.74Å; L60-L64 HydrophobicContact CD2-CG 4Å; L60-L64 PolarHBondContact O-N 2.79Å
61S97.6Very high96.3Very high3 Ų381.7 Ų81.72%0.02139%0.393CS..Hα-helixtrans-66.5-26.3177.976.20000112Y57 D58 A63 L64 R65Y57-S61 WeakPolarHBondContact O-CB 3.4Å; Y57-S61 PolarHBondContact O-N 3.36Å; Y57-S61 PolarHBondContact O-OG 3.47Å; Y57-S61 VanDerWaalsContact O-OG 3.09Å; D58-S61 PolarHBondContact O-N 2.82Å; D58-S61 PolarHBondContact O-OG 3.36Å; S61-A63 VanDerWaalsContact C-N 3.31Å; S61-L64 PolarHBondContact O-N 3.1Å; S61-R65 VanDerWaalsContact O-CG 3.31Å; S61-R65 WeakPolarHBondContact O-CG 3.21Å; S61-R65 PolarHBondContact O-N 3.14Å; S61-R65 PolarHBondContact O-NH1 2.92Å; S61-R65 VanDerWaalsContact O-NH1 3.12Å; S61-R65 PolarHBondContact OG-NH1 2.92Å
62R97.9Very high96.3Very high109 Ų10977.2 Ų77.241%0.41137%0.369SS..Hα-helixtrans-66.2-34.9171.1-171.366.8-165.987.9-13.2111.9D58 K59 L60 Y66D58-R62 PolarHBondContact O-N 2.79Å; K59-R62 PolarHBondContact O-N 3.32Å; L60-R62 PolarHBondContact O-N 3.46Å; R62-Y66 HydrophobicContact CG-CE2 4.16Å; R62-Y66 VanDerWaalsContact CZ-CE1 3.47Å; R62-Y66 VanDerWaalsContact NH2-CE1 3.26Å; R62-Y66 PolarHBondContact NH2-OH 2.72Å; R62-Y66 WeakPolarHBondContact O-CD2 3.45Å; R62-Y66 PolarHBondContact O-N 3.03Å
63A96.4Very high96.4Very high30 Ų3071.2 Ų71.225%0.24834%0.343CS..Hα-helixtrans-71.6-40.1171.500000112.5L7 K59 L60 S61 R65 Y66 Y67L7-A63 HydrophobicContact CD2-CB 3.63Å; K59-A63 PolarHBondContact O-N 3.25Å; L60-A63 WeakPolarHBondContact O-CA 3.34Å; L60-A63 WeakPolarHBondContact O-CB 3.47Å; L60-A63 PolarHBondContact O-N 2.66Å; S61-A63 VanDerWaalsContact C-N 3.31Å; A63-R65 VanDerWaalsContact C-N 3.31Å; A63-R65 PolarHBondContact O-N 3.18Å; A63-Y66 PolarHBondContact O-N 2.87Å; A63-Y66 VanDerWaalsContact O-N 3.09Å; A63-Y67 PolarHBondContact O-N 3.4Å
64L97.5Very high96.5Very high0 Ų070.9 Ų70.90%033%0.327CS..Hα-helixtrans-58.2-41171.6-69.1178.2000112.4L7 L11 L60 S61 Y66 Y67 Y68 I73 Y83L7-L64 HydrophobicContact CD2-CD2 4.15Å; L7-L64 HydrophobicContact CD2-CG 4.24Å; L11-L64 HydrophobicContact CD1-CD2 3.74Å; L60-L64 HydrophobicContact CD2-CD1 3.74Å; L60-L64 HydrophobicContact CD2-CG 4Å; L60-L64 PolarHBondContact O-N 2.79Å; S61-L64 PolarHBondContact O-N 3.1Å; L64-Y66 VanDerWaalsContact C-N 3.28Å; L64-Y66 PolarHBondContact O-N 3.05Å; L64-Y67 HydrophobicContact CD2-CD2 4.2Å; L64-Y67 WeakPolarHBondContact O-CB 3.37Å; L64-Y67 PolarHBondContact O-N 2.99Å; L64-Y68 VanDerWaalsContact O-CD1 3.23Å; L64-Y68 WeakPolarHBondContact O-CD1 3.14Å; L64-Y68 WeakPolarHBondContact O-CE1 3.14Å; L64-I73 HydrophobicContact CD2-CD1 3.92Å; L64-Y83 HydrophobicContact CB-CE1 4.22Å; L64-Y83 HydrophobicContact CD1-CD1 4.34Å; L64-Y83 HydrophobicContact CD1-CD2 4.18Å; L64-Y83 HydrophobicContact CD1-CE1 3.94Å; L64-Y83 HydrophobicContact CD1-CE2 3.78Å; L64-Y83 HydrophobicContact CD1-CG 4.46Å
65R97.2Very high96.6Very high103 Ų10368.2 Ų68.239%0.38931%0.309SS..Hα-helixtrans-59.6-34.9174.5-70.3174-167.799.6-15.8112.8S61 A63 Y67 Y68S61-R65 VanDerWaalsContact O-CG 3.31Å; S61-R65 WeakPolarHBondContact O-CG 3.21Å; S61-R65 PolarHBondContact O-N 3.14Å; S61-R65 PolarHBondContact O-NH1 2.92Å; S61-R65 VanDerWaalsContact O-NH1 3.12Å; S61-R65 PolarHBondContact OG-NH1 2.92Å; A63-R65 VanDerWaalsContact C-N 3.31Å; A63-R65 PolarHBondContact O-N 3.18Å; R65-Y67 PolarHBondContact O-N 3.35Å; R65-Y68 HydrophobicContact CB-CE2 4.2Å; R65-Y68 HydrophobicContact CG-CE2 3.92Å; R65-Y68 PolarHBondContact O-N 3.03Å
66Y97.2Very high96.5Very high135 Ų13567.2 Ų67.253%0.52931%0.305SS..THydrogen-bonded Turntrans-72.3-6.5174.4-67.2-55.5000114.1R62 A63 L64 K70R62-Y66 HydrophobicContact CG-CE2 4.16Å; R62-Y66 VanDerWaalsContact CZ-CE1 3.47Å; R62-Y66 VanDerWaalsContact NH2-CE1 3.26Å; R62-Y66 PolarHBondContact NH2-OH 2.72Å; R62-Y66 WeakPolarHBondContact O-CD2 3.45Å; R62-Y66 PolarHBondContact O-N 3.03Å; A63-Y66 PolarHBondContact O-N 2.87Å; A63-Y66 VanDerWaalsContact O-N 3.09Å; L64-Y66 VanDerWaalsContact C-N 3.28Å; L64-Y66 PolarHBondContact O-N 3.05Å; Y66-K70 WeakPolarHBondContact O-CG 3.4Å
67Y96.8Very high96.4Very high31 Ų3169.6 Ų69.612%0.12233%0.327CS..THydrogen-bonded Turntrans-93.2-8.6175.1-66.9-36.5000114.2L7 W8 A63 L64 R65 N71 I72 I73L7-Y67 HydrophobicContact CB-CE2 4.06Å; L7-Y67 HydrophobicContact CD2-CE2 4.23Å; L7-Y67 HydrophobicContact CG-CE2 4.3Å; W8-Y67 HydrophobicContact CB-CD2 4.45Å; W8-Y67 HydrophobicContact CB-CE2 3.93Å; W8-Y67 AromaticContact CD1-CZ 3.89Å; A63-Y67 PolarHBondContact O-N 3.4Å; L64-Y67 HydrophobicContact CD2-CD2 4.2Å; L64-Y67 WeakPolarHBondContact O-CB 3.37Å; L64-Y67 PolarHBondContact O-N 2.99Å; R65-Y67 PolarHBondContact O-N 3.35Å; Y67-N71 PolarHBondContact O-N 2.89Å; Y67-I72 HydrophobicContact CD1-CB 4.3Å; Y67-I72 HydrophobicContact CD1-CD1 3.94Å; Y67-I72 HydrophobicContact CE1-CD1 4.23Å; Y67-I72 HydrophobicContact CG-CB 4.33Å; Y67-I72 PolarHBondContact O-N 3.4Å; Y67-I72 VanDerWaalsContact O-N 3.11Å; Y67-I73 CarbonylContact C-O 3.52Å; Y67-I73 VanDerWaalsContact C-O 3.28Å; Y67-I73 HydrophobicContact CD2-CD1 4.04Å; Y67-I73 PolarHBondContact O-N 3.44Å; Y67-I73 VanDerWaalsContact O-O 3.11Å
68Y95.4Very high96.2Very high67 Ų6772.1 Ų72.126%0.26336%0.364SS..THydrogen-bonded Turntrans-65.6-60.5-179.3-59.9-5.7000110.4L64 R65 K70 N71 I73 K75 Y83L64-Y68 VanDerWaalsContact O-CD1 3.23Å; L64-Y68 WeakPolarHBondContact O-CD1 3.14Å; L64-Y68 WeakPolarHBondContact O-CE1 3.14Å; R65-Y68 HydrophobicContact CB-CE2 4.2Å; R65-Y68 HydrophobicContact CG-CE2 3.92Å; R65-Y68 PolarHBondContact O-N 3.03Å; Y68-K70 PolarHBondContact O-N 2.94Å; Y68-N71 PolarHBondContact O-N 3.47Å; Y68-I73 WeakPolarHBondContact CA-O 3.47Å; Y68-I73 WeakPolarHBondContact CD1-O 3.46Å; Y68-I73 PolarHBondContact N-O 2.92Å; Y68-K75 HydrophobicContact CE1-CB 3.97Å; Y68-K75 HydrophobicContact CE2-CB 4.25Å; Y68-Y83 HydrophobicContact CE1-CE1 4.26Å
69D94.3Very high96.1Very high141 Ų14172.2 Ų72.275%0.75436%0.361SS*.THydrogen-bonded Turntrans-65.7-28.1-179.1-42-42.7000112N71D69-N71 PolarHBondContact O-N 3.22Å; D69-N71 PolarHBondContact O-ND2 3.34Å
70K93.6Very high96.1Very high142 Ų14275.6 Ų75.662%0.61738%0.376SS*.THydrogen-bonded Turntrans-76.2-4.2175.1-64.6-166.865.9168.80113.9Y66 Y68 I72Y66-K70 WeakPolarHBondContact O-CG 3.4Å; Y68-K70 PolarHBondContact O-N 2.94Å; K70-I72 HydrophobicContact CB-CD1 4.14Å; K70-I72 HydrophobicContact CB-CG1 4.15Å; K70-I72 PolarHBondContact O-N 3.26Å
71N94.6Very high96.1Very high90 Ų9079.1 Ų79.148%0.48139%0.392SS..THydrogen-bonded Turntrans51.438.6-177.1-66-78.4000113.7Y67 Y68 D69 V86Y67-N71 PolarHBondContact O-N 2.89Å; Y68-N71 PolarHBondContact O-N 3.47Å; D69-N71 PolarHBondContact O-N 3.22Å; D69-N71 PolarHBondContact O-ND2 3.34Å; N71-V86 HydrophobicContact CB-CG1 4.47Å; N71-V86 HydrophobicContact CB-CG2 4.46Å; N71-V86 VanDerWaalsContact O-CB 3.24Å; N71-V86 WeakPolarHBondContact O-CB 3.09Å; N71-V86 WeakPolarHBondContact O-CG2 3.39Å
72I94.3Very high96Very high43 Ų4379.1 Ų79.122%0.22139%0.391CS..SBendtrans-97.2-51.3174.8-61.5173.8000109.5W8 Y67 K70 V86W8-I72 HydrophobicContact CB-CG2 3.84Å; W8-I72 HydrophobicContact CD2-CG2 4.06Å; W8-I72 HydrophobicContact CG-CG2 3.66Å; Y67-I72 HydrophobicContact CD1-CB 4.3Å; Y67-I72 HydrophobicContact CD1-CD1 3.94Å; Y67-I72 HydrophobicContact CE1-CD1 4.23Å; Y67-I72 HydrophobicContact CG-CB 4.33Å; Y67-I72 PolarHBondContact O-N 3.4Å; Y67-I72 VanDerWaalsContact O-N 3.11Å; K70-I72 HydrophobicContact CB-CD1 4.14Å; K70-I72 HydrophobicContact CB-CG1 4.15Å; K70-I72 PolarHBondContact O-N 3.26Å; I72-V86 PolarHBondContact O-N 3.3Å
73I96.3Very high96Very high0 Ų074.2 Ų74.20%037%0.373CS..EExtended strand (participates in β ladder)trans-132.9132.5174.9-70.1162.9000107.8W8 L11 F34 L64 Y67 Y68 Y83 K84 F85W8-I73 HydrophobicContact CB-CD1 3.89Å; L11-I73 HydrophobicContact CD1-CD1 4.44Å; F34-I73 HydrophobicContact CE1-CG1 4.5Å; F34-I73 HydrophobicContact CE1-CG2 4.44Å; F34-I73 HydrophobicContact CZ-CD1 4.17Å; F34-I73 HydrophobicContact CZ-CG2 4.39Å; L64-I73 HydrophobicContact CD2-CD1 3.92Å; Y67-I73 CarbonylContact C-O 3.52Å; Y67-I73 VanDerWaalsContact C-O 3.28Å; Y67-I73 HydrophobicContact CD2-CD1 4.04Å; Y67-I73 PolarHBondContact O-N 3.44Å; Y67-I73 VanDerWaalsContact O-O 3.11Å; Y68-I73 WeakPolarHBondContact CA-O 3.47Å; Y68-I73 WeakPolarHBondContact CD1-O 3.46Å; Y68-I73 PolarHBondContact N-O 2.92Å; I73-Y83 HydrophobicContact CG2-CD1 3.96Å; I73-Y83 HydrophobicContact CG2-CG 4.28Å; I73-K84 CarbonylContact C-O 3.6Å; I73-K84 VanDerWaalsContact CA-O 3.3Å; I73-K84 WeakPolarHBondContact CA-O 3.3Å; I73-F85 HydrophobicContact CD1-CD1 4.21Å; I73-F85 HydrophobicContact CD1-CE1 3.75Å; I73-F85 HydrophobicContact CD1-CZ 4.17Å; I73-F85 HydrophobicContact CG1-CD1 3.67Å; I73-F85 HydrophobicContact CG1-CE1 3.76Å; I73-F85 HydrophobicContact CG1-CG 4.29Å; I73-F85 HydrophobicContact CG1-CZ 4.43Å
74R96Very high96Very high124 Ų12475.8 Ų75.847%0.46837%0.374SS..EExtended strand (participates in β ladder)trans-105.7156.1169.8-72.2-176.7-66.4-164.5-1.9110.8K84 V86R74-K84 PolarHBondContact N-O 3.04Å; R74-K84 PolarHBondContact O-N 3.37Å; R74-V86 HydrophobicContact CB-CG2 4.47Å; R74-V86 HydrophobicContact CG-CG2 3.74Å
75K96.6Very high95.9Very high73 Ų7376.1 Ų76.132%0.31738%0.375SS..EExtended strand (participates in β ladder)trans-84.3129.2174.1178.261.7-166.3156.10110.3Y68 S77 Q79 V82 Y83Y68-K75 HydrophobicContact CE1-CB 3.97Å; Y68-K75 HydrophobicContact CE2-CB 4.25Å; K75-S77 PolarHBondContact O-N 3.39Å; K75-Q79 WeakPolarHBondContact CE-O 3.38Å; K75-Q79 PolarHBondContact NZ-O 3.45Å; K75-V82 PolarHBondContact NZ-O 3.32Å; K75-Y83 HydrophobicContact CB-CD1 4.5Å; K75-Y83 HydrophobicContact CB-CE1 4.37Å; K75-Y83 HydrophobicContact CD-CD1 3.93Å; K75-Y83 HydrophobicContact CD-CE1 3.47Å; K75-Y83 VanDerWaalsContact CD-CE1 3.47Å; K75-Y83 HydrophobicContact CG-CE1 4.5Å
76V96.4Very high95.6Very high23 Ų2373.2 Ų73.214%0.13937%0.369CS..PPolyproline II helixtrans-76.2119.4166.7179.20000108.2Q79 V82 K84V76-Q79 HydrophobicContact CG1-CB 4.18Å; V76-Q79 HydrophobicContact CG1-CG 4.11Å; V76-V82 HydrophobicContact CB-CB 4.21Å; V76-V82 HydrophobicContact CB-CG1 3.96Å; V76-V82 HydrophobicContact CG1-CG1 4.31Å; V76-V82 HydrophobicContact CG2-CG1 3.87Å; V76-V82 PolarHBondContact N-O 3.42Å; V76-K84 HydrophobicContact CG2-CB 4.13Å
77S95.2Very high94.7Very high107 Ų10769.8 Ų69.875%0.74837%0.365SS*.SBendtrans-68.5154178.646.40000111.5K75 Q79K75-S77 PolarHBondContact O-N 3.39Å; S77-Q79 PolarHBondContact O-N 3.12Å
78G94.8Very high93.5Very high91 Ų9169.4 Ų69.494%0.93836%0.363SS*.SBendtrans72-30.7-176.800000115.6
79Q95.6Very high91.9Very high99 Ų9971.2 Ų71.246%0.46338%0.383SS..  trans-96.8121.6-174.1-59.6-164.143.900112.8K75 V76 S77 V82K75-Q79 WeakPolarHBondContact CE-O 3.38Å; K75-Q79 PolarHBondContact NZ-O 3.45Å; V76-Q79 HydrophobicContact CG1-CB 4.18Å; V76-Q79 HydrophobicContact CG1-CG 4.11Å; S77-Q79 PolarHBondContact O-N 3.12Å; Q79-V82 HydrophobicContact CB-CB 3.79Å; Q79-V82 HydrophobicContact CB-CG2 3.76Å
80K96.3Very high90.1Very high176 Ų17672.5 Ų72.577%0.76539%0.385SS*.THydrogen-bonded Turntrans-66.4138.4172.4-69.3-176.1179.4178.80110.2V82K80-V82 PolarHBondContact O-N 3.21Å
81F97.4Very high88.4Confident75 Ų7568 Ų6833%0.32937%0.369SS..THydrogen-bonded Turntrans59.42.2177.4-47.2-67.8000118.1L36 A39 Y57 Y83L36-F81 HydrophobicContact CB-CB 4.24Å; L36-F81 PolarHBondContact N-O 3.23Å; L36-F81 WeakPolarHBondContact O-CB 3.38Å; A39-F81 HydrophobicContact CB-CD1 3.49Å; A39-F81 VanDerWaalsContact CB-CD1 3.49Å; A39-F81 HydrophobicContact CB-CE1 3.56Å; A39-F81 HydrophobicContact CB-CG 4.21Å; A39-F81 HydrophobicContact CB-CZ 4.31Å; Y57-F81 HydrophobicContact CD1-CE1 4.02Å; Y57-F81 AromaticContact CE1-CD1 3.96Å; Y57-F81 HydrophobicContact CE1-CD1 3.96Å; Y57-F81 AromaticContact CE1-CE1 3.57Å; Y57-F81 HydrophobicContact CE1-CE1 3.57Å; Y57-F81 HydrophobicContact CE2-CD1 4.04Å; Y57-F81 HydrophobicContact CE2-CE1 4.37Å; Y57-F81 AromaticContact CZ-CD1 3.61Å; Y57-F81 AromaticContact CZ-CE1 3.75Å; F81-Y83 WeakPolarHBondContact O-CD2 3.46Å
82V97.3Very high86.6Confident2 Ų265.5 Ų65.51%0.01236%0.361CS..EExtended strand (participates in β ladder)trans-91.3138175.5-172.30000112.7F34 K35 K75 V76 Q79 K80F34-V82 CarbonylContact O-C 3.28Å; F34-V82 WeakPolarHBondContact O-CA 3.43Å; F34-V82 WeakPolarHBondContact O-CG1 3.44Å; K35-V82 HydrophobicContact CB-CG2 3.93Å; K35-V82 HydrophobicContact CD-CG2 4.12Å; K35-V82 HydrophobicContact CG-CG2 3.87Å; K75-V82 PolarHBondContact NZ-O 3.32Å; V76-V82 HydrophobicContact CB-CB 4.21Å; V76-V82 HydrophobicContact CB-CG1 3.96Å; V76-V82 HydrophobicContact CG1-CG1 4.31Å; V76-V82 HydrophobicContact CG2-CG1 3.87Å; V76-V82 PolarHBondContact N-O 3.42Å; Q79-V82 HydrophobicContact CB-CB 3.79Å; Q79-V82 HydrophobicContact CB-CG2 3.76Å; K80-V82 PolarHBondContact O-N 3.21Å
83Y97.3Very high84.5Confident7 Ų766.4 Ų66.43%0.02738%0.381CS..EExtended strand (participates in β ladder)trans-142.2162.9-174.8-69.5-85.4000110.5E33 F34 L36 Y57 L64 Y68 I73 K75 F81E33-Y83 WeakPolarHBondContact CA-O 3.45Å; F34-Y83 WeakPolarHBondContact CD1-O 3.4Å; F34-Y83 HydrophobicContact CZ-CG 4.4Å; F34-Y83 PolarHBondContact N-O 3.03Å; F34-Y83 PolarHBondContact O-N 2.96Å; L36-Y83 HydrophobicContact CD1-CD2 3.93Å; L36-Y83 HydrophobicContact CD1-CE2 4.3Å; Y57-Y83 PolarHBondContact OH-OH 3.21Å; L64-Y83 HydrophobicContact CB-CE1 4.22Å; L64-Y83 HydrophobicContact CD1-CD1 4.34Å; L64-Y83 HydrophobicContact CD1-CD2 4.18Å; L64-Y83 HydrophobicContact CD1-CE1 3.94Å; L64-Y83 HydrophobicContact CD1-CE2 3.78Å; L64-Y83 HydrophobicContact CD1-CG 4.46Å; Y68-Y83 HydrophobicContact CE1-CE1 4.26Å; I73-Y83 HydrophobicContact CG2-CD1 3.96Å; I73-Y83 HydrophobicContact CG2-CG 4.28Å; K75-Y83 HydrophobicContact CB-CD1 4.5Å; K75-Y83 HydrophobicContact CB-CE1 4.37Å; K75-Y83 HydrophobicContact CD-CD1 3.93Å; K75-Y83 HydrophobicContact CD-CE1 3.47Å; K75-Y83 VanDerWaalsContact CD-CE1 3.47Å; K75-Y83 HydrophobicContact CG-CE1 4.5Å; F81-Y83 WeakPolarHBondContact O-CD2 3.46Å
84K95.6Very high81.9Confident63 Ų6371.4 Ų71.427%0.27442%0.415SS..EExtended strand (participates in β ladder)trans-134.6122.7-177.1-174.8167.2-154.6160.70111.2G31 G32 E33 I73 R74 V76G31-K84 WeakPolarHBondContact O-CE 3.38Å; G32-K84 WeakPolarHBondContact O-CA 3.23Å; E33-K84 HydrophobicContact CG-CB 4.05Å; E33-K84 HydrophobicContact CG-CD 3.63Å; E33-K84 HydrophobicContact CG-CG 3.72Å; E33-K84 WeakPolarHBondContact OE1-CD 3.45Å; E33-K84 VanDerWaalsContact OE1-CE 3.22Å; E33-K84 WeakPolarHBondContact OE1-CE 3.27Å; E33-K84 IonicContact OE1-NZ 2.67Å; E33-K84 PolarHBondContact OE1-NZ 3.05Å; I73-K84 CarbonylContact C-O 3.6Å; I73-K84 VanDerWaalsContact CA-O 3.3Å; I73-K84 WeakPolarHBondContact CA-O 3.3Å; R74-K84 PolarHBondContact N-O 3.04Å; R74-K84 PolarHBondContact O-N 3.37Å; V76-K84 HydrophobicContact CG2-CB 4.13Å
85F95.6Very high79.1Confident6 Ų668.9 Ų68.93%0.02642%0.416CS..EExtended strand (participates in β ladder)trans-66.6136.5166.7-73.5-82.2000109.5W8 L12 L15 W26 G32 F34 I73 Y88W8-F85 HydrophobicContact CB-CE1 4.25Å; W8-F85 HydrophobicContact CE3-CE1 4.41Å; L12-F85 HydrophobicContact CB-CZ 4.07Å; L15-F85 HydrophobicContact CD1-CE2 4.17Å; W26-F85 AromaticContact CH2-CD2 3.82Å; W26-F85 HydrophobicContact CH2-CD2 3.82Å; W26-F85 AromaticContact CH2-CE2 3.77Å; W26-F85 HydrophobicContact CH2-CE2 3.77Å; W26-F85 AromaticContact CZ3-CD2 3.98Å; W26-F85 HydrophobicContact CZ3-CD2 3.98Å; W26-F85 HydrophobicContact CZ3-CE2 4.23Å; G32-F85 PolarHBondContact O-N 3.12Å; F34-F85 AromaticContact CD1-CD2 3.57Å; F34-F85 HydrophobicContact CD1-CD2 3.57Å; F34-F85 AromaticContact CD1-CE2 3.49Å; F34-F85 HydrophobicContact CD1-CE2 3.49Å; F34-F85 VanDerWaalsContact CD1-CE2 3.49Å; F34-F85 AromaticContact CE1-CD2 3.45Å; F34-F85 HydrophobicContact CE1-CD2 3.45Å; F34-F85 VanDerWaalsContact CE1-CD2 3.45Å; F34-F85 AromaticContact CE1-CE2 3.27Å; F34-F85 HydrophobicContact CE1-CE2 3.27Å; F34-F85 HydrophobicContact CE1-CG 4.25Å; F34-F85 AromaticContact CE1-CZ 3.96Å; F34-F85 HydrophobicContact CE1-CZ 3.96Å; F34-F85 HydrophobicContact CG-CE2 4.32Å; F34-F85 HydrophobicContact CZ-CD2 4.48Å; F34-F85 AromaticContact CZ-CE2 3.94Å; F34-F85 HydrophobicContact CZ-CE2 3.94Å; F34-F85 HydrophobicContact CZ-CZ 4.26Å; I73-F85 HydrophobicContact CD1-CD1 4.21Å; I73-F85 HydrophobicContact CD1-CE1 3.75Å; I73-F85 HydrophobicContact CD1-CZ 4.17Å; I73-F85 HydrophobicContact CG1-CD1 3.67Å; I73-F85 HydrophobicContact CG1-CE1 3.76Å; I73-F85 HydrophobicContact CG1-CG 4.29Å; I73-F85 HydrophobicContact CG1-CZ 4.43Å; F85-Y88 HydrophobicContact CB-CD2 3.98Å; F85-Y88 HydrophobicContact CB-CG 4.4Å; F85-Y88 HydrophobicContact CD2-CD2 4.14Å; F85-Y88 HydrophobicContact CG-CD2 4.23Å
86V90.2Very high76.5Confident42 Ų4271.3 Ų71.326%0.25544%0.437SS..SBendtrans-80.8-50-176.4-173.80000111.3N71 I72 R74 Y88N71-V86 HydrophobicContact CB-CG1 4.47Å; N71-V86 HydrophobicContact CB-CG2 4.46Å; N71-V86 VanDerWaalsContact O-CB 3.24Å; N71-V86 WeakPolarHBondContact O-CB 3.09Å; N71-V86 WeakPolarHBondContact O-CG2 3.39Å; I72-V86 PolarHBondContact O-N 3.3Å; R74-V86 HydrophobicContact CB-CG2 4.47Å; R74-V86 HydrophobicContact CG-CG2 3.74Å; V86-Y88 PolarHBondContact O-N 3.32Å
87S79Confident74.3Confident63 Ų6378.3 Ų78.344%0.44147%0.468SS..SBendtrans-10048.5178.4-51.70000111.5V91S87-V91 PolarHBondContact O-N 3.5Å
88Y71Confident71.4Confident23 Ų2380.3 Ų80.39%0.0947%0.47CS..Hα-helixtrans-57.8-46.1-174.8-171.9-110.9000115.9L12 W26 R29 G32 F85 V86 E90 V91 A92L12-Y88 HydrophobicContact CD1-CE2 3.89Å; W26-Y88 AromaticContact CH2-CD2 3.92Å; W26-Y88 HydrophobicContact CH2-CD2 3.92Å; W26-Y88 AromaticContact CH2-CE2 3.14Å; W26-Y88 HydrophobicContact CH2-CE2 3.14Å; W26-Y88 AromaticContact CH2-CZ 3.61Å; W26-Y88 AromaticContact CZ2-CE2 3.68Å; W26-Y88 HydrophobicContact CZ2-CE2 3.68Å; W26-Y88 AromaticContact CZ2-CZ 3.81Å; W26-Y88 WeakPolarHBondContact CZ2-OH 3.13Å; W26-Y88 HydrophobicContact CZ3-CD2 4.2Å; W26-Y88 AromaticContact CZ3-CE2 3.7Å; W26-Y88 HydrophobicContact CZ3-CE2 3.7Å; W26-Y88 AromaticContact CZ3-CZ 3.97Å; R29-Y88 WeakPolarHBondContact O-CD1 3.44Å; R29-Y88 WeakPolarHBondContact O-CE1 3.4Å; G32-Y88 VanDerWaalsContact CA-CD1 3.49Å; F85-Y88 HydrophobicContact CB-CD2 3.98Å; F85-Y88 HydrophobicContact CB-CG 4.4Å; F85-Y88 HydrophobicContact CD2-CD2 4.14Å; F85-Y88 HydrophobicContact CG-CD2 4.23Å; V86-Y88 PolarHBondContact O-N 3.32Å; Y88-E90 VanDerWaalsContact C-N 3.29Å; Y88-E90 PolarHBondContact O-N 3.02Å; Y88-V91 HydrophobicContact CD2-CG2 4.22Å; Y88-V91 WeakPolarHBondContact O-CG2 3.33Å; Y88-V91 PolarHBondContact O-N 2.92Å; Y88-A92 HydrophobicContact CD1-CB 4.25Å; Y88-A92 HydrophobicContact CD2-CB 4.31Å; Y88-A92 HydrophobicContact CE1-CB 3.76Å; Y88-A92 HydrophobicContact CE2-CB 3.83Å; Y88-A92 WeakPolarHBondContact O-CB 3.27Å; Y88-A92 PolarHBondContact O-N 3.15Å
89P62.1Low68.8Low105 Ų10581 Ų8168%0.68246%0.46SS*.Hα-helixtrans-62.2-35.5-175.422.5-33.3000113.1G93P89-G93 PolarHBondContact O-N 3.28Å
90E57.8Low66.5Low168 Ų16881.3 Ų81.379%0.78547%0.471SS*.Hα-helixtrans-70.7-39.9179.4-165.2-176.9148.600112.2Y88Y88-E90 VanDerWaalsContact C-N 3.29Å; Y88-E90 PolarHBondContact O-N 3.02Å
91V56.1Low63.8Low48 Ų4878.5 Ų78.529%0.29147%0.47SS..Hα-helixtrans-81-18.9178.6-55.10000113.7W8 L12 S87 Y88W8-V91 HydrophobicContact CH2-CG1 4.44Å; W8-V91 HydrophobicContact CZ3-CB 4.41Å; W8-V91 HydrophobicContact CZ3-CG1 4.15Å; L12-V91 HydrophobicContact CD2-CB 4.13Å; L12-V91 HydrophobicContact CD2-CG2 3.95Å; S87-V91 PolarHBondContact O-N 3.5Å; Y88-V91 HydrophobicContact CD2-CG2 4.22Å; Y88-V91 WeakPolarHBondContact O-CG2 3.33Å; Y88-V91 PolarHBondContact O-N 2.92Å
92A58.1Low60.7Low37 Ų3783.1 Ų83.131%0.30649%0.493SS..Hα-helixtrans-87.9-23.9-178.900000113.7Y88 C94Y88-A92 HydrophobicContact CD1-CB 4.25Å; Y88-A92 HydrophobicContact CD2-CB 4.31Å; Y88-A92 HydrophobicContact CE1-CB 3.76Å; Y88-A92 HydrophobicContact CE2-CB 3.83Å; Y88-A92 WeakPolarHBondContact O-CB 3.27Å; Y88-A92 PolarHBondContact O-N 3.15Å; A92-C94 PolarHBondContact O-N 2.97Å; A92-C94 VanDerWaalsContact O-N 3.09Å
93G49.3Very low58.2Low62 Ų6288.4 Ų88.464%0.63953%0.527SS*.  trans-65.2-8.1-176.800000115.9P89 S95P89-G93 PolarHBondContact O-N 3.28Å; G93-S95 PolarHBondContact O-N 2.87Å
94C42.3Very low55.3Low106 Ų10695.5 Ų95.572%0.71656%0.561SS**  trans-80.956.3179-167.90000112.7R16 A92R16-C94 PolarHBondContact NH2-O 3.34Å; A92-C94 PolarHBondContact O-N 2.97Å; A92-C94 VanDerWaalsContact O-N 3.09Å
95S37.3Very low52.8Low70 Ų7099.4 Ų99.449%0.4959%0.589SS.*SBendtrans-156.8115.2174.6-111.50000112R16 G93R16-S95 PolarHBondContact NH2-OG 2.79Å; G93-S95 PolarHBondContact O-N 2.87Å
96T41.6Very low50.1Low124 Ų124103 Ų10376%0.76162%0.615SS**SBendtrans74.9105165.5-46.20000117
97E51.5Low47.5Very low170 Ų170107 Ų10779%0.79464%0.64SS**  trans34.591.2143.2-40.8-49.187.100118.5
98D33.7Very low45.3Very low149 Ų149110.4 Ų110.480%0.79766%0.658SS**  trans-130.4104.7140.8-170.3-116.2000108.5P100D98-P100 WeakPolarHBondContact O-CD 3.32Å
99C39.9Very low43.8Very low105 Ų105114.7 Ų114.771%0.70969%0.691SS**PPolyproline II helixtrans-82116.2168.5-830000107.7
100P46.3Very low42.6Very low107 Ų107114.3 Ų114.370%0.69570%0.697SS**PPolyproline II helixtrans-58.6126.8167.225.6-32.8000107.7D98D98-P100 WeakPolarHBondContact O-CD 3.32Å
101P39.8Very low42.1Very low117 Ų117115.1 Ų115.176%0.7670%0.703SS**PPolyproline II helixtrans-62.5141.9-170.522.4-32.9000111.3
102Q33.4Very low41.6Very low172 Ų172118.5 Ų118.580%0.80473%0.726SS**PPolyproline II helixtrans-52.7132.3164.8-78.5-87.1-7900109.3E104Q102-E104 PolarHBondContact O-N 2.88Å
103P43.4Very low40.3Very low112 Ų112123.7 Ų123.773%0.72775%0.749SS**  trans-67.1103.8156.228.8-30.2000107.3V105P103-V105 PolarHBondContact O-N 2.9Å
104E38.3Very low39.5Very low157 Ų157127.1 Ų127.173%0.73476%0.757SS**  trans-58.1123.4173.2-106.3-145.789.700110.5Q102 S106Q102-E104 PolarHBondContact O-N 2.88Å; E104-S106 PolarHBondContact OE1-OG 2.99Å
105V41.3Very low39.2Very low145 Ų145125.8 Ų125.888%0.87975%0.753SS**  trans-13085149.8-720000109.4P103P103-V105 PolarHBondContact O-N 2.9Å
106S39Very low39.7Very low80 Ų80128.5 Ų128.556%0.55977%0.769SS**  trans-51.9155.2154.7-1.90000109.4E104E104-S106 PolarHBondContact OE1-OG 2.99Å
107V36.5Very low39.1Very low128 Ų128126.7 Ų126.778%0.77677%0.767SS**  cis-153.117119.6-166.50000109.7
108T33.7Very low38.1Very low134 Ų134123 Ų12382%0.82277%0.765SS**  trans98.5144.8144.4-4.30000120.3
109S39.2Very low38.3Very low113 Ų113121.4 Ų121.479%0.7976%0.76SS**  trans-118.3179.1175-177.40000110
110A35.5Very low38.1Very low97 Ų97124.8 Ų124.880%0.80277%0.766SS**  trans82.4143.2178.200000117.8
111M47.6Very low37.4Very low184 Ų184123.3 Ų123.391%0.90676%0.762SS**  trans-99.7164.8177.7-44.7177.3168.600109.5
112P45.7Very low37.2Very low119 Ų119124.1 Ų124.177%0.77377%0.765SS**  -153.1158.272.740.7-20.8000118.6
113N31.3Very low37.9Very low147 Ų147122.1 Ų122.179%0.78677%0.767SS**  trans35.1114.5137.5-175.451000121.6
114V33.2Very low37.2Very low134 Ų134120.2 Ų120.281%0.81277%0.768SS**  -159.1149.2110.7970000112.7
115A35Very low36.9Very low77 Ų77119.8 Ų119.864%0.63677%0.771SS**  trans-108.2174.516800000108.9
116P47.5Very low36.7Very low128 Ų128118.5 Ų118.583%0.83176%0.763SS**  cis-134.1-159.620.144.3-23000112.1
117A29.3Very low36.3Very low86 Ų86119.5 Ų119.571%0.71178%0.776SS**  cis-151.3158.37.900000111.9
118A30.5Very low36.4Very low91 Ų91119.6 Ų119.675%0.75278%0.783SS**  trans35.2139.8142.900000120.8
119V36.8Very low36.4Very low116 Ų116116.8 Ų116.870%0.70378%0.78SS**  cis-153.514744.5-87.70000114.1
120H36.8Very low36.4Very low177 Ų177121.1 Ų121.182%0.81979%0.785SS**  trans46.5110.2153.8-58-54.5000119.8
121A30.7Very low36.6Very low75 Ų75122.8 Ų122.862%0.6279%0.788SS**  96.5104.865.400000111.5
122T35.5Very low35.9Very low135 Ų135117.5 Ų117.583%0.82878%0.78SS**  92.9162.654.169.80000112.2
123P49.9Very low35.7Very low130 Ų130118.4 Ų118.484%0.84478%0.784SS**  -138.7-158.8-108.935.7-9.4000114.5
124G28.6Very low36.4Very low72 Ų72117.3 Ų117.374%0.74278%0.784SS**  trans115.7165.8160.600000115.6
125D30.9Very low36.9Very low148 Ų148121.1 Ų121.179%0.79179%0.79SS**  cis-156.4168.2-20.1-168.6-119.4000111.1
126T36.5Very low36.8Very low117 Ų117121.2 Ų121.272%0.71880%0.798SS**  trans-4.4124.5163.8-48.80000119.5
127A32.4Very low36.4Very low101 Ų101120.3 Ų120.384%0.83580%0.801SS**  trans-153.8133.9144.700000112.3
128S38.1Very low36.7Very low131 Ų131119.6 Ų119.692%0.91680%0.802SS**  trans-101.5133.5167.5-179.70000109.4
129G32.8Very low37.1Very low74 Ų74124.1 Ų124.176%0.76381%0.81SS**  trans-177105.1-179.500000116.2
130K38.8Very low37.5Very low204 Ų204123.5 Ų123.589%0.88782%0.817SS**  trans-78.6160.3139.8-78.6-178.9177.4177.50107.5
131P41.3Very low37.4Very low133 Ų133118.3 Ų118.386%0.86481%0.811SS**  cis-136.5-173.420.942.4-25000114.9
132G32Very low38.6Very low72 Ų72121.3 Ų121.374%0.74283%0.825SS**  trans144.6116.2158.700000115.2
133T41.9Very low39.2Very low139 Ų139118.4 Ų118.485%0.85382%0.821SS**  trans-89.6144.1166.2-44.90000109.3
134P46.2Very low38.7Very low124 Ų124115.6 Ų115.681%0.80582%0.816SS**  trans-130.4159.9131.436.5-28.8000113.6
135K42.7Very low40.1Very low214 Ų214120.7 Ų120.793%0.9383%0.826SS**  trans-103.8119-176.5172.3-175.7175.5-176.50109
136G33.4Very low41.4Very low78 Ų78117.6 Ų117.680%0.80482%0.82SS**  trans-154.4151.4177.200000110.2
137A39.5Very low42.5Very low109 Ų109123.5 Ų123.590%0.90183%0.83SS**  trans-126.7148.8-163.900000114
138G36.1Very low44.2Very low71 Ų71123.5 Ų123.573%0.73282%0.823SS**  trans99.595.9146.700000117.8
139M38.1Very low46.4Very low187 Ų187119.8 Ų119.892%0.92180%0.797SS**  -149.8149.5128.5-163.253.968.900109.4
140A45.5Very low49.1Very low103 Ų103127.3 Ų127.385%0.85180%0.803SS**  trans-85.7147.7-176.200000112.6
141G34.3Very low51.7Low67 Ų67121 Ų12169%0.69178%0.779SS**  trans-149.2135.317000000110.8
142P55.8Low54.2Low139 Ų139118.6 Ų118.690%0.90376%0.756SS**SBendtrans-76.5159.9176.733.2-35.2000111.4
143G47.8Very low57.2Low73 Ų73120.7 Ų120.775%0.75374%0.742SS**  trans105.27.3172.400000116.3L145G143-L145 PolarHBondContact O-N 2.71Å; G143-L145 VanDerWaalsContact O-N 3.1Å
144G40.4Very low59.6Low72 Ų72118.2 Ų118.274%0.74272%0.722SS**  trans-62.6110.7166.500000111A146G144-A146 PolarHBondContact O-N 3.45Å
145L56.8Low61.7Low179 Ų179120.3 Ų120.394%0.93771%0.714SS**  trans-6875.6172.1-77.5166.6000110.3G143 R147G143-L145 PolarHBondContact O-N 2.71Å; G143-L145 VanDerWaalsContact O-N 3.1Å; L145-R147 PolarHBondContact O-N 3.11Å; L145-R147 VanDerWaalsContact O-N 3.14Å
146A58.8Low64.1Low82 Ų82113.1 Ų113.168%0.67869%0.691SS**  trans-60.2116.3175.100000109.3G144 S148G144-A146 PolarHBondContact O-N 3.45Å; A146-S148 PolarHBondContact O-N 2.87Å
147R60Low66.9Low242 Ų242112.9 Ų112.991%0.91369%0.688SS**  trans-56.2122.1165.7-77.5179.7165.3177.5-5.1107.5L145 S149L145-R147 PolarHBondContact O-N 3.11Å; L145-R147 VanDerWaalsContact O-N 3.14Å; R147-S149 PolarHBondContact O-N 3.37Å
148S69.1Low69.5Low100 Ų100115.6 Ų115.670%0.69969%0.686SS**  trans-48.6111.6-174.242.60000110.7A146A146-S148 PolarHBondContact O-N 2.87Å
149S83.4Confident72.2Confident54 Ų54117.1 Ų117.138%0.37867%0.671SS.*  trans-73.2138.5-174.2-173.70000108.9R147 N151 E152R147-S149 PolarHBondContact O-N 3.37Å; S149-N151 PolarHBondContact O-N 2.77Å; S149-E152 PolarHBondContact N-OE2 3.2Å; S149-E152 WeakPolarHBondContact O-CB 3.39Å; S149-E152 PolarHBondContact O-N 2.83Å
150R90.3Very high74.9Confident231 Ų231112.9 Ų112.987%0.87266%0.66SS**THydrogen-bonded Turntrans-51.2-29.2176.8178.7172.8174.2142.50.1112.6Y153R150-Y153 WeakPolarHBondContact O-CD1 3.36Å; R150-Y153 WeakPolarHBondContact O-CE1 3.49Å
151N93.3Very high77.2Confident72 Ų72113.3 Ų113.339%0.38565%0.652SS.*THydrogen-bonded Turntrans-99.911.4-176.5-65.7-6.3000113.8S149 Y153 M154S149-N151 PolarHBondContact O-N 2.77Å; N151-Y153 VanDerWaalsContact C-N 3.3Å; N151-Y153 PolarHBondContact O-N 3.42Å; N151-M154 HydrophobicContact CB-CE 3.6Å; N151-M154 WeakPolarHBondContact O-CB 3.46Å; N151-M154 PolarHBondContact O-N 3.02Å; N151-M154 VanDerWaalsContact O-N 3.15Å
152E93.1Very high80Confident82 Ų82116.3 Ų116.338%0.38365%0.646SS.*G310 helixtrans-64.6-33.3-177.2-161.8153.998.200112.8S149 M154 R155 S156S149-E152 PolarHBondContact N-OE2 3.2Å; S149-E152 WeakPolarHBondContact O-CB 3.39Å; S149-E152 PolarHBondContact O-N 2.83Å; E152-M154 PolarHBondContact O-N 2.89Å; E152-R155 PolarHBondContact O-N 3.16Å; E152-S156 PolarHBondContact O-N 3.03Å
153Y94.1Very high81.8Confident117 Ų117114.3 Ų114.346%0.45963%0.631SS.*G310 helixtrans-55.3-35.7173.172.2-88000112.3R150 N151 R155 S156 Y159R150-Y153 WeakPolarHBondContact O-CD1 3.36Å; R150-Y153 WeakPolarHBondContact O-CE1 3.49Å; N151-Y153 VanDerWaalsContact C-N 3.3Å; N151-Y153 PolarHBondContact O-N 3.42Å; Y153-R155 PolarHBondContact O-N 2.75Å; Y153-S156 WeakPolarHBondContact O-CB 3.32Å; Y153-S156 PolarHBondContact O-N 3.32Å; Y153-S156 VanDerWaalsContact O-N 3.17Å; Y153-S156 PolarHBondContact O-OG 2.86Å; Y153-Y159 HydrophobicContact CD2-CD1 4.32Å; Y153-Y159 AromaticContact CD2-CD2 3.7Å; Y153-Y159 HydrophobicContact CD2-CD2 3.7Å; Y153-Y159 HydrophobicContact CD2-CE2 4.23Å; Y153-Y159 AromaticContact CD2-CG 3.74Å; Y153-Y159 HydrophobicContact CD2-CG 3.74Å; Y153-Y159 HydrophobicContact CE2-CD1 4.24Å; Y153-Y159 AromaticContact CE2-CD2 3.74Å; Y153-Y159 HydrophobicContact CE2-CD2 3.74Å; Y153-Y159 HydrophobicContact CE2-CE1 4.25Å; Y153-Y159 AromaticContact CE2-CE2 3.78Å; Y153-Y159 HydrophobicContact CE2-CE2 3.78Å; Y153-Y159 AromaticContact CE2-CG 3.98Å; Y153-Y159 HydrophobicContact CE2-CG 3.98Å; Y153-Y159 VanDerWaalsContact O-CB 3.23Å; Y153-Y159 WeakPolarHBondContact O-CB 3.49Å
154M93.4Very high83.9Confident86 Ų86117.5 Ų117.542%0.42463%0.63SS.*G310 helixtrans-68.7-16178.5-61-162.1-75.500113.8N151 E152 Y159N151-M154 HydrophobicContact CB-CE 3.6Å; N151-M154 WeakPolarHBondContact O-CB 3.46Å; N151-M154 PolarHBondContact O-N 3.02Å; N151-M154 VanDerWaalsContact O-N 3.15Å; E152-M154 PolarHBondContact O-N 2.89Å; M154-Y159 HydrophobicContact CB-CD1 4.05Å; M154-Y159 HydrophobicContact CB-CE1 4.47Å; M154-Y159 HydrophobicContact CG-CD1 3.74Å; M154-Y159 HydrophobicContact CG-CE1 3.79Å; M154-Y159 HydrophobicContact CG-CG 4.43Å; M154-Y159 HydrophobicContact SD-CE1 4.08Å
155R90.1Very high86.2Confident169 Ų169120.5 Ų120.564%0.63863%0.625SS**G310 helixtrans-104.9-0.4175.5-63.8-174-62.9-98.4-2.7113.3E152 Y153 G157E152-R155 PolarHBondContact O-N 3.16Å; Y153-R155 PolarHBondContact O-N 2.75Å; R155-G157 PolarHBondContact O-N 2.66Å
156S92.4Very high87.6Confident63 Ų63116.1 Ų116.144%0.44161%0.609SS.*SBendtrans-72.1-11.9-17667.50000114.9E152 Y153 L158E152-S156 PolarHBondContact O-N 3.03Å; Y153-S156 WeakPolarHBondContact O-CB 3.32Å; Y153-S156 PolarHBondContact O-N 3.32Å; Y153-S156 VanDerWaalsContact O-N 3.17Å; Y153-S156 PolarHBondContact O-OG 2.86Å; S156-L158 PolarHBondContact O-N 2.73Å; S156-L158 VanDerWaalsContact O-N 3.14Å; S156-L158 PolarHBondContact OG-N 3.18Å; S156-L158 VanDerWaalsContact OG-N 3.14Å
157G92.6Very high88.9Confident73 Ų73117.9 Ų117.975%0.75361%0.606SS**SBendtrans72.7-12.3-167.800000114.5R155R155-G157 PolarHBondContact O-N 2.66Å
158L93.8Very high90.3Very high165 Ų165111.4 Ų111.486%0.86459%0.587SS**SBendtrans-90.1-17.7177.4-55178.2000112.9S156S156-L158 PolarHBondContact O-N 2.73Å; S156-L158 VanDerWaalsContact O-N 3.14Å; S156-L158 PolarHBondContact OG-N 3.18Å; S156-L158 VanDerWaalsContact OG-N 3.14Å
159Y94.3Very high90.8Very high103 Ų103112.7 Ų112.740%0.40459%0.592SS.*  trans-92.7123.4171.9-179.5-102.5000110.2Y153 M154Y153-Y159 HydrophobicContact CD2-CD1 4.32Å; Y153-Y159 AromaticContact CD2-CD2 3.7Å; Y153-Y159 HydrophobicContact CD2-CD2 3.7Å; Y153-Y159 HydrophobicContact CD2-CE2 4.23Å; Y153-Y159 AromaticContact CD2-CG 3.74Å; Y153-Y159 HydrophobicContact CD2-CG 3.74Å; Y153-Y159 HydrophobicContact CE2-CD1 4.24Å; Y153-Y159 AromaticContact CE2-CD2 3.74Å; Y153-Y159 HydrophobicContact CE2-CD2 3.74Å; Y153-Y159 HydrophobicContact CE2-CE1 4.25Å; Y153-Y159 AromaticContact CE2-CE2 3.78Å; Y153-Y159 HydrophobicContact CE2-CE2 3.78Å; Y153-Y159 AromaticContact CE2-CG 3.98Å; Y153-Y159 HydrophobicContact CE2-CG 3.98Å; Y153-Y159 VanDerWaalsContact O-CB 3.23Å; Y153-Y159 WeakPolarHBondContact O-CB 3.49Å; M154-Y159 HydrophobicContact CB-CD1 4.05Å; M154-Y159 HydrophobicContact CB-CE1 4.47Å; M154-Y159 HydrophobicContact CG-CD1 3.74Å; M154-Y159 HydrophobicContact CG-CE1 3.79Å; M154-Y159 HydrophobicContact CG-CG 4.43Å; M154-Y159 HydrophobicContact SD-CE1 4.08Å
160S94.1Very high90.4Very high99 Ų99117.5 Ų117.569%0.69261%0.609SS**  trans-125.2146.3170.9-175.30000109.3
161T94Very high89.7Confident111 Ų111111.1 Ų111.168%0.68160%0.597SS**  trans-125.4137.9179.2-173.30000109.9
162F93.3Very high88.6Confident130 Ų130112.4 Ų112.457%0.5761%0.61SS**  trans-146.9152.8-179.760.9-92.2000109.7L167F162-L167 HydrophobicContact CD2-CD1 4.14Å; F162-L167 HydrophobicContact CD2-CD2 4.3Å; F162-L167 HydrophobicContact CD2-CG 4.1Å; F162-L167 HydrophobicContact CE2-CD1 3.65Å; F162-L167 HydrophobicContact CE2-CD2 4.44Å; F162-L167 HydrophobicContact CE2-CG 4.13Å; F162-L167 HydrophobicContact CZ-CD1 4.42Å
163T92.8Very high87.3Confident97 Ų97114.8 Ų114.860%0.59563%0.632SS**  trans-87.4150.5168.563.60000109.7Q165 S166T163-Q165 PolarHBondContact O-N 2.72Å; T163-Q165 VanDerWaalsContact O-N 3.16Å; T163-S166 WeakPolarHBondContact O-CB 3.46Å; T163-S166 PolarHBondContact O-N 3.07Å; T163-S166 PolarHBondContact OG1-N 3.15Å
164I90.9Very high85.8Confident140 Ų140116.5 Ų116.572%0.71864%0.644SS**G310 helixtrans-59-31.6179.6-58173.9000111.1S166 L167I164-S166 VanDerWaalsContact C-N 3.28Å; I164-S166 PolarHBondContact O-N 3.3Å; I164-L167 PolarHBondContact O-N 3.37Å
165Q88.9Confident84Confident136 Ų136118.3 Ų118.364%0.63666%0.662SS**G310 helixtrans-66.3-26.8175.3-163169.73200113.3T163 L167 Q168T163-Q165 PolarHBondContact O-N 2.72Å; T163-Q165 VanDerWaalsContact O-N 3.16Å; Q165-L167 PolarHBondContact O-N 3.14Å; Q165-Q168 WeakPolarHBondContact O-CB 3.4Å; Q165-Q168 PolarHBondContact O-N 2.96Å; Q165-Q168 VanDerWaalsContact O-N 3.11Å
166S86.4Confident82.4Confident87 Ų87121.8 Ų121.861%0.60868%0.675SS**G310 helixtrans-67.5-10.1174.2-168.80000113.9T163 I164T163-S166 WeakPolarHBondContact O-CB 3.46Å; T163-S166 PolarHBondContact O-N 3.07Å; T163-S166 PolarHBondContact OG1-N 3.15Å; I164-S166 VanDerWaalsContact C-N 3.28Å; I164-S166 PolarHBondContact O-N 3.3Å
167L87.6Confident80.3Confident119 Ų119124.3 Ų124.362%0.62369%0.69SS**G310 helixtrans-96.5-3.7174.2-57.4-178.3000113.2F162 I164 Q165F162-L167 HydrophobicContact CD2-CD1 4.14Å; F162-L167 HydrophobicContact CD2-CD2 4.3Å; F162-L167 HydrophobicContact CD2-CG 4.1Å; F162-L167 HydrophobicContact CE2-CD1 3.65Å; F162-L167 HydrophobicContact CE2-CD2 4.44Å; F162-L167 HydrophobicContact CE2-CG 4.13Å; F162-L167 HydrophobicContact CZ-CD1 4.42Å; I164-L167 PolarHBondContact O-N 3.37Å; Q165-L167 PolarHBondContact O-N 3.14Å
168Q88.1Confident78.2Confident106 Ų106125.6 Ų125.650%0.49569%0.693SS.*SBendtrans-83.8130.2-177.8-63.5179.15.500110.6Q165 Q170Q165-Q168 WeakPolarHBondContact O-CB 3.4Å; Q165-Q168 PolarHBondContact O-N 2.96Å; Q165-Q168 VanDerWaalsContact O-N 3.11Å; Q168-Q170 PolarHBondContact O-N 3.17Å
169P80.8Confident75.9Confident126 Ų126124.3 Ų124.382%0.81869%0.692SS**PPolyproline II helixtrans-56.1121.7175-2534.3000111.1
170Q74.6Confident73.6Confident156 Ų156125.8 Ų125.873%0.72971%0.711SS**PPolyproline II helixtrans-68.2134.3174-66.5-61.7-69.100109.6Q168Q168-Q170 PolarHBondContact O-N 3.17Å
171P74.4Confident71.3Confident97 Ų97128 Ų12863%0.6372%0.715SS**PPolyproline II helixtrans-64146173.627.8-33.9000110.2
172P69.9Low69.2Low99 Ų99128.4 Ų128.464%0.64372%0.72SS**PPolyproline II helixtrans-63.6141.4-178.326.6-34.6000111H174P172-H174 PolarHBondContact O-N 3.21Å; P172-H174 VanDerWaalsContact O-N 3.09Å
173P66.8Low66.4Low131 Ų131128.9 Ų128.985%0.85173%0.728SS**  trans-66.4112.2-175.726.4-34.3000111.3
174H62.2Low63.7Low154 Ų154127.9 Ų127.971%0.71373%0.73SS**PPolyproline II helixtrans-67.9130.4175-56.4-49.9000110.9P172 R176P172-H174 PolarHBondContact O-N 3.21Å; P172-H174 VanDerWaalsContact O-N 3.09Å; H174-R176 PolarHBondContact O-N 3.45Å
175P56.7Low60.9Low123 Ų123125.9 Ų125.980%0.79973%0.734SS**PPolyproline II helixtrans-67.8131174.628.1-33.5000110.3
176R55.5Low59.1Low242 Ų242125 Ų12591%0.91374%0.74SS**PPolyproline II helixtrans-77.6125177.4-67.3-179.5177.8176.4-0.8110.4H174H174-R176 PolarHBondContact O-N 3.45Å
177P49.7Very low56.7Low117 Ų117126 Ų12676%0.7675%0.753SS**PPolyproline II helixtrans-70.3145.1165.130.4-33.2000110.3
178A47.8Very low54.1Low99 Ų99124 Ų12482%0.81876%0.762SS**PPolyproline II helixtrans-78.8138.3176.100000111.2
179V45.8Very low51.5Low139 Ų139124.1 Ų124.184%0.84278%0.781SS**PPolyproline II helixtrans-98.2134174.4172.60000109.6
180V45.9Very low49.3Very low133 Ų133123 Ų12381%0.80678%0.783SS**PPolyproline II helixtrans-103.2137.4178.6177.40000109.7
181L44.5Very low47.6Very low146 Ų146120.1 Ų120.176%0.76479%0.785SS**PPolyproline II helixtrans-80.7147.2174.7-122.681.3000111.2
182P50.6Low46.6Very low120 Ų120121.1 Ų121.178%0.77979%0.792SS**  -151.4-168.797.238.8-21.4000113.5
183N34.6Very low45.6Very low139 Ų139121.8 Ų121.874%0.74380%0.796SS**  -170130.1-55.2-177.629.8000108.7
184A35.2Very low44Very low77 Ų77121.3 Ų121.364%0.63680%0.796SS**  trans38.5108.8159.800000123.5
185A33.7Very low42.4Very low97 Ų97117.7 Ų117.780%0.80280%0.8SS**  64.2174.7112.400000120.5
186P50.5Low41.4Very low118 Ų118118.1 Ų118.177%0.76681%0.806SS**  cis-137.3-179.71.244.1-26.9000118
187A35.8Very low40.4Very low107 Ų107118.5 Ų118.588%0.88481%0.808SS**  trans66.7138.2161.600000118.8
188G32.7Very low39.4Very low79 Ų79117.7 Ų117.781%0.81481%0.805SS**  cis166162.2-3.200000109.7
189A34.6Very low38.5Very low108 Ų108118.9 Ų118.989%0.89380%0.802SS**  cis-128.6-151.80.200000108.6
190A33.9Very low37.9Very low103 Ų103117.4 Ų117.485%0.85180%0.798SS**  cis-133.1-176.24.900000110.8
191A39.5Very low37.7Very low94 Ų94116.3 Ų116.378%0.77779%0.793SS**  trans-118.7-165.9-155.200000114.4
192P53.1Low37.4Very low118 Ų118114.7 Ų114.777%0.76679%0.794SS**  -127.6-157.5-98.243.5-24.3000110.9
193P48.9Very low36.5Very low113 Ų113114.8 Ų114.873%0.73480%0.795SS**  cis-140.6-163.22.943.5-22.8000116.6
194S32.2Very low36.6Very low121 Ų121115.8 Ų115.885%0.84680%0.799SS**  trans82.597.2162.6-61.50000117.6
195G30.4Very low36.4Very low79 Ų79120 Ų12081%0.81481%0.806SS**  trans-157.337.6176.200000113.6R197G195-R197 PolarHBondContact O-N 2.89Å
196S33.8Very low36.3Very low131 Ų131119.5 Ų119.592%0.91680%0.801SS**  trans-70.4109.9-178-63.20000111.9
197R35.7Very low35.1Very low251 Ų251119.5 Ų119.595%0.94780%0.803SS**  trans-116.9104.8171.4-158.9-177.5-152.5-159.47.9110.3G195G195-R197 PolarHBondContact O-N 2.89Å
198S28.1Very low35Very low100 Ų100122.1 Ų122.170%0.69980%0.801SS**  trans-147.5150.6173.11800000110.3
199T29.1Very low34.7Very low124 Ų124127.3 Ų127.376%0.76180%0.804SS**  trans52.6103.7158.238.90000118.5
200S32.7Very low34.6Very low107 Ų107126.6 Ų126.675%0.74880%0.799SS**  trans-37.4157.1139.952.40000113.7
201P41.7Very low34.6Very low111 Ų111130.2 Ų130.272%0.72180%0.798SS**  cis-145176.835.443.7-25.6000118.3
202S38.4Very low34.3Very low111 Ų111132.7 Ų132.778%0.77679%0.793SS**  trans64.3129153.5-56.90000120.7
203P32.8Very low33.3Very low122 Ų122131.8 Ų131.879%0.79280%0.796SS**  trans-111.9128146.534.2-24.1000112
204L36.1Very low32.3Very low160 Ų160129 Ų12984%0.83879%0.788SS**  trans-114.1153.7145.5-74.6175000106.3
205E31.2Very low32.3Very low167 Ų167131.6 Ų131.678%0.7879%0.791SS**  trans60.6118.6-174.3-46.5-50.192.800114.6
206A31Very low32.5Very low85 Ų85132.8 Ų132.870%0.70279%0.785SS**  cis92.294.541.700000114
207C26.5Very low32.3Very low119 Ų119135 Ų13580%0.80479%0.786SS**  trans-179115.6150.8-98.30000106.3
208L32.5Very low32.2Very low162 Ų162131.5 Ų131.585%0.84878%0.78SS**  94.994.464.8-86-178.5000113.3
209E26.6Very low32.4Very low188 Ų188132.6 Ų132.688%0.87978%0.782SS**  trans-155.8122.4146.4-99.4173.7121.200104.9
210A32.2Very low32.7Very low93 Ų93133.8 Ų133.877%0.76978%0.782SS**  61.6126.993.800000113.5
211E33.9Very low32.5Very low178 Ų178136.6 Ų136.683%0.83279%0.788SS**  cis-147.6161.112.3-129.4-158.4144.900114.6
212E32.8Very low32.1Very low146 Ų146137.4 Ų137.468%0.68279%0.791SS**  trans47.3113.5135.1-130.7-68.190.500122.3G214E212-G214 PolarHBondContact OE1-N 2.78Å
213A32.8Very low32.4Very low100 Ų100137.7 Ų137.783%0.82679%0.79SS**  trans-168.361.8148.600000109.6
214G27.9Very low32.4Very low55 Ų55138.2 Ų138.257%0.56779%0.794SS**  trans-84.6124.7-163.700000116.7E212E212-G214 PolarHBondContact OE1-N 2.78Å
215L31.6Very low32Very low174 Ų174139.4 Ų139.491%0.91180%0.795SS**  trans-144.4109.1156.3-77.6-176.4000111.7
216P35.8Very low32.3Very low105 Ų105135.7 Ų135.768%0.68279%0.793SS**  trans-91.5126.9178.333.3-31.6000112.8Q218P216-Q218 HydrophobicContact CB-CG 4.37Å
217L29.6Very low32.4Very low178 Ų178137.2 Ų137.293%0.93280%0.795SS**  trans-84.8111.4164-83.5173.3000110.1
218Q34Very low32.4Very low177 Ų177137.8 Ų137.883%0.82779%0.791SS**  trans-97.7155.5-178.9-53.4-162.9104.800111.3P216P216-Q218 HydrophobicContact CB-CG 4.37Å
219V30.4Very low32.4Very low122 Ų122137.7 Ų137.774%0.73979%0.79SS**  trans-122.6132.7-159.5167.60000111.9
220I37.2Very low32.2Very low149 Ų149137 Ų13776%0.76478%0.784SS**  trans67.9119.4172.5-63.9159.1000116
221L27.3Very low32.3Very low167 Ų167137.1 Ų137.187%0.87478%0.779SS**  -171.4121.7124.1-101.1166.2000111.2
222T33.5Very low32.1Very low127 Ų127137.6 Ų137.678%0.77978%0.781SS**  trans-107.1161.9161.448.20000108.6
223P45.4Very low32Very low118 Ų118137.6 Ų137.677%0.76678%0.781SS**  cis-121.9-168.56.542.6-27000112.5
224P32.5Very low31.7Very low133 Ų133140.9 Ų140.986%0.86478%0.784SS**  -144-162.285.840.1-22.1000114.6
225E27.4Very low31.5Very low185 Ų185142.5 Ų142.586%0.86478%0.78SS**  trans-125.4155.3-165.1173.8176.373.300112.8
226A38.4Very low31.4Very low89 Ų89141.2 Ų141.274%0.73678%0.779SS**  trans66.116617400000115.7
227P31.9Very low31.3Very low116 Ų116143.6 Ų143.675%0.75378%0.781SS**  cis-97170.76.140.7-34.6000113.9
228N27.2Very low31.7Very low132 Ų132140.4 Ų140.471%0.70677%0.771SS**  cis80.4156.830.3-144-42.5000114.7
229L31.6Very low31.4Very low160 Ų160135.6 Ų135.684%0.83877%0.769SS**  trans80107.3-159-55.4173.3000113.5
230K23.3Very low31.3Very low173 Ų173138.7 Ų138.775%0.75278%0.78SS**  cis63.1137.79.3-162-178.9-176.9-176.60115
231S33.3Very low30.9Very low95 Ų95135.1 Ų135.166%0.66478%0.78SS**  cis-179.4147.2-31.6-86.70000105.5
232E29.1Very low31.1Very low189 Ų189139.7 Ų139.788%0.88379%0.786SS**  trans-157.4131.1156.2-108.4151.762.100106.9
233E30.8Very low30.7Very low145 Ų145137.7 Ų137.768%0.67878%0.782SS**  cis84.8116.125.8-158-168.2125.400115.3N235E233-N235 HydrophobicContact CG-CB 4.2Å; E233-N235 PolarHBondContact OE1-ND2 3.41Å
234L26.6Very low30.4Very low169 Ų169140.6 Ų140.689%0.88579%0.791SS**  trans-160.196.8144.9-122.6152.9000105.9
235N24.8Very low31Very low89 Ų89139.7 Ų139.748%0.47679%0.785SS.*  81.8114.255.2-166.2-45.7000112.4E233 E237E233-N235 HydrophobicContact CG-CB 4.2Å; E233-N235 PolarHBondContact OE1-ND2 3.41Å; N235-E237 PolarHBondContact OD1-N 3.24Å
236V28.7Very low31.7Very low148 Ų148135.7 Ų135.790%0.89778%0.775SS**  trans-139.399.2158.1-179.90000107.5
237E34Very low31.5Very low154 Ų154140 Ų14072%0.7278%0.78SS**  trans-86.5-177.7162.1-121.3-138.4138.100110.5N235N235-E237 PolarHBondContact OD1-N 3.24Å
238P39.2Very low31.4Very low112 Ų112140.9 Ų140.973%0.72778%0.782SS**  cis-108.2164.6-27.91.521.2000112
239G26.1Very low31.4Very low76 Ų76142.1 Ų142.178%0.78478%0.781SS**  trans-157.692.7177.900000114.4
240L29.8Very low31.4Very low187 Ų187140 Ų14098%0.97978%0.775SS**  trans-50.3137.5179.8-84.8157.4000114.9
241G27.2Very low31.5Very low74 Ų74140.2 Ų140.276%0.76378%0.779SS**  trans117.890.3141.100000118.1
242R31.5Very low31.4Very low262 Ų262138.8 Ų138.899%0.98978%0.779SS**  trans-105.192.3141.8-176.1178.3176.51620.6109.1
243A26.9Very low31.8Very low85 Ų85135.5 Ų135.570%0.70277%0.774SS**  trans-136.4134.6167.100000109.1P245A243-P245 WeakPolarHBondContact O-CD 3.37Å
244L39.1Very low31.6Very low180 Ų180137.2 Ų137.294%0.94278%0.779SS**  trans-75.3129.5164.7-67.6165.8000108
245P44.2Very low31.8Very low114 Ų114137.1 Ų137.174%0.7477%0.774SS**  -144.3177128.637.4-22.3000112.1A243A243-P245 WeakPolarHBondContact O-CD 3.37Å
246P41.9Very low31.9Very low101 Ų101140.3 Ų140.366%0.65679%0.786SS**  cis-121.4138.6-136-21.2000114.7V248P246-V248 HydrophobicContact CB-CG2 3.92Å; P246-V248 HydrophobicContact CG-CG2 4.12Å
247E34.9Very low32Very low179 Ų179140 Ų14084%0.83678%0.779SS**  trans-79.9115.2136.8-176.4-176.4107.400106.5K249E247-K249 PolarHBondContact O-N 3.18Å; E247-K249 VanDerWaalsContact O-N 3.13Å
248V29.2Very low31.8Very low134 Ų134140.5 Ų140.581%0.81278%0.781SS**  trans-83.692.5173.7178.60000108.6P246P246-V248 HydrophobicContact CB-CG2 3.92Å; P246-V248 HydrophobicContact CG-CG2 4.12Å
249K27.7Very low31.2Very low158 Ų158140.6 Ų140.669%0.68778%0.78SS**  trans-70.6161.4173.4-172.3-179.5178.9179.50111.9E247E247-K249 PolarHBondContact O-N 3.18Å; E247-K249 VanDerWaalsContact O-N 3.13Å
250V30.4Very low31.3Very low117 Ų117141.3 Ų141.371%0.70978%0.778SS**  trans114.894.6153.6179.30000111
251E26.2Very low31.2Very low177 Ų177142.5 Ų142.583%0.82777%0.77SS**  108.7150.971.5-156.4162.9125.600108.4
252G31.6Very low31.2Very low65 Ų65144.6 Ų144.667%0.6776%0.76SS**  trans-77.9-169.9-167.400000115.2
253P36.2Very low31.1Very low120 Ų120143 Ų14378%0.77975%0.754SS**  -147.6163.355.241.7-24.2000118.3
254K27Very low31Very low181 Ų181142.5 Ų142.579%0.78776%0.756SS**  trans63.4158.8140.3-82.4-174.1171.2-168.30122.8
255E30.4Very low30.4Very low166 Ų166144 Ų14478%0.77676%0.755SS**  trans64.6159.6161.3-72.8154.1100.400117.3
256E28.6Very low29.9Very low157 Ų157144.5 Ų144.573%0.73476%0.756SS**  cis-164.6159.9-40.3179.5161.294.800107.7
257L30.6Very low30.3Very low141 Ų141144.1 Ų144.174%0.73875%0.754SS**  trans61.2122.8162.3-109.775.2000120.5
258E29.8Very low30.1Very low164 Ų164143.3 Ų143.377%0.76675%0.75SS**  54.8163.5116.2-84-77.279.300125.3
259V25.6Very low30Very low115 Ų115142.8 Ų142.870%0.69775%0.747SS**  trans68.986.7155171.10000118.1
260A29Very low30.1Very low91 Ų91140.8 Ų140.875%0.75275%0.748SS**  31143.9114.100000122.8
261R26.8Very low29.9Very low212 Ų212144 Ų14480%0.875%0.753SS**  trans102.9120.2130.9-142.7-165163.3152.5-7.2119.7
262E28.2Very low30.1Very low118 Ų118139.3 Ų139.355%0.55174%0.744SS**  trans91.3148.4135.9-114.5174.1-135.300124.3
263R28.2Very low29.9Very low229 Ų229144.8 Ų144.886%0.86475%0.752SS**  trans68.9127.6163.7-71.3-178.2-86.3-169.6-3.9117.8
264G26.3Very low30.7Very low73 Ų73143.8 Ų143.875%0.75375%0.745SS**  cis166-170.8-7.300000115.4
265F25.6Very low30.6Very low211 Ų211143.8 Ų143.893%0.92575%0.748SS**  trans78.490.9170.1-115.1-101.7000119.4
266V33.8Very low30.8Very low126 Ų126142 Ų14276%0.76475%0.748SS**  trans-57.4177.9144.8-94.50000112.5
267P50.5Low32.2Very low92 Ų92140 Ų14060%0.59775%0.749SS**  cis-121.7-146.66.335.2-13.1000111.5
268E29.7Very low33.2Very low163 Ų163138.3 Ų138.376%0.76275%0.747SS**  cis-164.5169.20.5-135.512960.500105.6
269T28.4Very low33.3Very low122 Ų122138.6 Ų138.675%0.74875%0.748SS**  cis-164.8172.6-11.86.90000105.2
270T29.7Very low33.5Very low116 Ų116141.9 Ų141.971%0.71276%0.756SS**  cis-154.4135.5-18.7-143.90000104.2
271K26.3Very low33.5Very low186 Ų186141.2 Ų141.281%0.80976%0.758SS**  76.5126.364.4-152.8-152.6172.2-170.10116
272A30.7Very low33.8Very low77 Ų77138 Ų13864%0.63676%0.761SS**  trans75.313816600000117.4
273E25.7Very low34.9Very low180 Ų180138.5 Ų138.584%0.84178%0.775SS**  cis81.6154.339-84.2-172.864.300115
274P53.5Low35.1Very low99 Ų99132.1 Ų132.164%0.64377%0.771SS**  cis-140.6-161.4-20.233.4-10.3000114.6
275E26.2Very low35.2Very low181 Ų181140 Ų14085%0.84678%0.778SS**  trans96.6156.1141.7-141.5156.5105.800122.8
276V34.7Very low35.6Very low128 Ų128137.5 Ų137.578%0.77677%0.774SS**  trans-164.6155.9-157.2168.40000109.5
277P57.4Low36.4Very low115 Ų115136.8 Ų136.875%0.74777%0.771SS**  cis-114-91.5-3.229.4-5.5000113.6
278P52.2Low35.4Very low107 Ų107136.8 Ų136.870%0.69578%0.779SS**  cis-125.1146.3-28.335.2-16.1000118.1
279Q32Very low35.6Very low170 Ų170135 Ų13579%0.79478%0.779SS**  trans55.4137.6147.7-60.6-149.5-106.400127.5
280E29.1Very low35.7Very low184 Ų184134.4 Ų134.486%0.8678%0.775SS**  trans68.8142.4144.5-92.9175.579.200125.2
281G29Very low36.1Very low77 Ų77137.1 Ų137.179%0.79478%0.782SS**  trans148.6111.5167.700000116.4
282V33.7Very low36.1Very low144 Ų144134.5 Ų134.587%0.87378%0.777SS**  trans-126.6149.3163.7-130.70000107.8
283P49.5Very low36.3Very low128 Ų128136.7 Ų136.783%0.83178%0.782SS**  -153.8-178.881.140-18.9000117.5
284A33.4Very low36.7Very low96 Ų96133 Ų13379%0.79378%0.782SS**  trans-55.3170-175.500000120.1
285R27.2Very low35.6Very low239 Ų239131.8 Ų131.890%0.90279%0.789SS**  178.3105.7121.5-173.8167.5-177.1163.4-1.6116.2
286L34.3Very low35.8Very low157 Ų157132.2 Ų132.282%0.82279%0.791SS**  22.7162127.9-65.2-176.1000123.1
287P50.4Low35.7Very low111 Ų111131.2 Ų131.272%0.72180%0.795SS**  cis-145.3-154.1-18.338.8-15.9000115.1
288A31.1Very low34.4Very low92 Ų92129.5 Ų129.576%0.7680%0.799SS**  trans85.6147.8159.700000118
289V32.4Very low33.4Very low125 Ų125129.1 Ų129.176%0.75880%0.799SS**  cis-150.7127-3.3109.40000107.9
290V32.1Very low33.4Very low111 Ų111129 Ų12967%0.67380%0.798SS**  73.811989.4178.70000116.8
291M36.5Very low33.5Very low172 Ų172126.3 Ų126.385%0.84779%0.794SS**  trans65.8159.2158.6-71.3169.267.400120.3
292D28Very low33.5Very low132 Ų132126.9 Ų126.971%0.70679%0.791SS**  cis-171.9177.7-31.5-172.2-134.7000110
293T33Very low33.4Very low122 Ų122126.2 Ų126.275%0.74879%0.793SS**  trans91141.2157.8-34.30000117.1
294A35.1Very low32.5Very low102 Ų102125.7 Ų125.784%0.84379%0.792SS**  trans-134.3158.6177.800000112.3
295G29.5Very low33Very low75 Ų75125.9 Ų125.977%0.77379%0.785SS**  trans124.5160.3175.900000113.5
296Q32Very low33Very low190 Ų190121.6 Ų121.689%0.88878%0.775SS**  cis-162.8135.5-11-170.1-177.130.300110.6
297A31.5Very low32.8Very low106 Ų106121.1 Ų121.188%0.87677%0.772SS**  trans57.7174.4161.900000119.2
298G30.7Very low32.1Very low79 Ų79121.1 Ų121.181%0.81478%0.775SS**  trans126.7131.3173.800000113.9
299S31.1Very low32.4Very low100 Ų100124 Ų12470%0.69977%0.773SS**  trans-146.3162.6176.9-174.60000111
300H32.3Very low32.8Very low166 Ų166123.2 Ų123.277%0.76977%0.77SS**  trans85.1128.2167.1-64.2-74.5000121
301V31.1Very low33Very low129 Ų129125.2 Ų125.278%0.78277%0.772SS**  trans79.294.9139.8176.40000119.6
302A28.2Very low32.5Very low89 Ų89126.4 Ų126.474%0.73677%0.773SS**  41.2125.3127.900000122.3
303S32.1Very low32.8Very low130 Ų130123.8 Ų123.891%0.90978%0.777SS**  -152.8156126-80.70000111.2
304S29.9Very low33.1Very low116 Ų116130 Ų13081%0.81179%0.787SS**  trans-116.5-175.4174.3-122.40000108.2
305P44.9Very low33.2Very low101 Ų101134.9 Ų134.966%0.65679%0.788SS**  cis-123-154.90.243.4-26.6000111.3
306E26.3Very low33.9Very low148 Ų148137.4 Ų137.469%0.69279%0.791SS**  cis-145.2174.7-4.1-152.475.672.200106.1
307I31.1Very low34.4Very low148 Ų148139 Ų13976%0.75979%0.789SS**  -169.6144.278.1-88.1-171.9000108.7
308S34.2Very low34.4Very low111 Ų111140.2 Ų140.278%0.77678%0.781SS**  trans65.9107.7163.7-65.70000120.8
309Q38.7Very low34.5Very low152 Ų152143.9 Ų143.971%0.7178%0.781SS**  trans-90.6-164.3165.8-60-1800.400110.3
310P40.2Very low34.8Very low108 Ų108147 Ų14770%0.70178%0.784SS**  cis-122152.2-11.59.417.4000114.4
311Q35.6Very low35.1Very low153 Ų153146.3 Ų146.372%0.71579%0.786SS**  61.8126.888.5-54.4-148.428.700115.8
312K27.4Very low35.8Very low198 Ų198145.4 Ų145.486%0.86178%0.783SS**  cis99116.932-176.7-172.3-174.4-178.50112.4
313G34.6Very low35.8Very low77 Ų77149.1 Ų149.179%0.79479%0.789SS**  trans-161.3166179.800000113.4
314R39.3Very low36.1Very low253 Ų253148.3 Ų148.396%0.95578%0.784SS**  trans-133158.7-173.5-75.3-178.9169.9179.9-3.4113.1
315K36.2Very low37Very low203 Ų203148.6 Ų148.688%0.88378%0.782SS**  trans-65.3152.8173.6-68.5170.1174.9175.30112.9
316P44.6Very low36.3Very low128 Ų128149.5 Ų149.583%0.83179%0.791SS**  -128.2-143.6116.538.2-29.8000113.1
317R42.7Very low36.8Very low224 Ų224150.7 Ų150.785%0.84580%0.802SS**  trans-121.9169.4-156.2-53.2178.4178.9166.8-2.5115.6
318D32.3Very low36.8Very low132 Ų132152.6 Ų152.671%0.70681%0.812SS**  trans99.8155.9133.2-100.4-66.6000122.7
319L31.8Very low36.5Very low156 Ų156151 Ų15182%0.81781%0.813SS**  trans76.2169.4171-106.165.1000121.6
320E36.4Very low36.1Very low164 Ų164147.2 Ų147.277%0.76682%0.815SS**  trans-112.7167.7-142.9-58.6-178.574.800117
321L39.1Very low36.5Very low152 Ų152148.5 Ų148.580%0.79682%0.824SS**  trans13.8150.1140.1-63.1-178.7000120
322P45.6Very low36.2Very low110 Ų110144.3 Ų144.371%0.71482%0.821SS**  -160.7-171.850.444-20.9000120.7
323L29.1Very low37.5Very low168 Ų168140.9 Ų140.988%0.8882%0.82SS**  trans88.9148.8154.6-66.3176.6000122.4
324S38.5Very low37.2Very low113 Ų113143.7 Ų143.779%0.7981%0.812SS**  trans-140156.4-179.8-45.90000111.7
325P48.1Very low37Very low121 Ų121141.5 Ų141.579%0.78680%0.804SS**  trans-140.3168.9141.836-21.3000112.4
326S30.7Very low36.8Very low120 Ų120138.2 Ų138.284%0.83980%0.801SS**  cis-165.7172.1-20.6-90.40000109.3
327L36.4Very low36.8Very low174 Ų174138.3 Ų138.391%0.91180%0.802SS**  trans-104.2153.3176.2-63.7166000112.7
328L31.9Very low36.3Very low187 Ų187131.1 Ų131.198%0.97980%0.797SS**  trans-172.9151.7133.8-150.963.3000113.3
329G27.4Very low36.3Very low78 Ų78131.1 Ų131.180%0.80481%0.807SS**  trans147.8106.4156.300000118.2
330G31.2Very low36.2Very low73 Ų73126.6 Ų126.675%0.75380%0.799SS**  trans-130.9169.8156.600000108.9
331P47.7Very low36.2Very low134 Ų134126.3 Ų126.387%0.8781%0.808SS**  -150-163.662.340.3-18.7000115.3
332G29.2Very low36Very low65 Ų65121.8 Ų121.867%0.6780%0.799SS**  trans-91.8-152.4164.100000112.9
333P54Low35.6Very low127 Ų127123 Ų12383%0.82581%0.81SS**  cis-138.5-137.99.642.3-20.4000113.6
334E29.3Very low35.9Very low136 Ų136118.3 Ų118.364%0.63680%0.802SS**  trans99138.3155.3-88.6-95.479.400122.5
335R34.3Very low36.1Very low206 Ų206120.7 Ų120.778%0.77781%0.805SS**  trans80.8100.9154.2-53.4-94.5168.1109.516.8123.8
336T33.1Very low35.4Very low135 Ų135123.2 Ų123.283%0.82881%0.806SS**  trans-75.4179.2130.722.20000110.5
337P44.3Very low35.7Very low130 Ų130121.3 Ų121.384%0.84480%0.798SS**  cis-140.1-172.718.544.8-26.2000116.6
338G31.8Very low36.5Very low73 Ų73119.1 Ų119.175%0.75379%0.794SS**  trans165.4138.7160.300000116.2
339S33Very low37Very low131 Ų131113.8 Ų113.892%0.91678%0.784SS**  trans-37.5161.9177.4-53.20000118.6
340G29.2Very low38.4Very low62 Ų62115.9 Ų115.964%0.63978%0.784SS**  cis138.6167.30.800000112.8
341T36.7Very low38.7Very low157 Ų157116.7 Ų116.796%0.96378%0.783SS**  trans72.8135.4-171.7-25.90000113.3
342G34Very low38.4Very low58 Ų58117.7 Ų117.760%0.59878%0.78SS**  cis172.5172.1-6.900000111
343S38.8Very low39.6Very low135 Ų135120.3 Ų120.394%0.94478%0.784SS**  trans64.6118.9-179.9-530000115.7
344G34.7Very low39.5Very low69 Ų69119.8 Ų119.871%0.71178%0.78SS**  cis129.3141.1-8.400000113.2
345L41.6Very low39.9Very low164 Ų164118.4 Ų118.486%0.85979%0.786SS**  trans68.9138.4172.8-49.9-179.8000115
346Q35.2Very low40.1Very low173 Ų173116.1 Ų116.181%0.80879%0.788SS**  cis-154.6154.2-10.8-151.8163.4-39.600110.2
347A36.7Very low40.7Very low81 Ų81116.9 Ų116.967%0.66979%0.786SS**  trans-89.3-168.716600000109.8
348P52.9Low40.9Very low128 Ų128115.9 Ų115.983%0.83178%0.78SS**  cis-134.8-169.5-7.841.8-23.9000113.7
349G41.3Very low41.1Very low74 Ų74118 Ų11876%0.76378%0.778SS**  trans169.2109.7163.700000114.3
350P58.5Low41.6Very low123 Ų123119.9 Ų119.980%0.79977%0.772SS**  trans-126.8170.9-166.242.5-31.1000117.2
351A37.2Very low41.8Very low90 Ų90123.2 Ų123.274%0.74478%0.78SS**  trans73.7162.4154.200000116.9
352L40.8Very low42.4Very low154 Ų154123.5 Ų123.581%0.80678%0.775SS**  cis-138146.315.2-78.7162.4000113
353T55.1Low42.8Very low121 Ų121126.5 Ų126.574%0.74278%0.782SS**  trans6.1169.8139.661.60000122.2
354P50.6Low43.4Very low115 Ų115125.5 Ų125.575%0.74777%0.772SS**  cis-123.4161.75.31215.7000114.5
355S37.4Very low44Very low108 Ų108128.8 Ų128.876%0.75578%0.778SS**  58.7135.783-108.60000114.9
356L38.9Very low44Very low157 Ų157127.7 Ų127.782%0.82277%0.773SS**  cis-150.5178.332.1-107.9156.4000114.9
357L45.6Very low44.5Very low151 Ų151126.5 Ų126.579%0.79177%0.771SS**  trans-74.9-168177.1-49.7165000112.3
358P48.4Very low44.9Very low110 Ų110128.6 Ų128.671%0.71478%0.776SS**  cis-143.3-165.2-0.626.81.6000116.6
359T35.9Very low44.4Very low118 Ų118128.6 Ų128.672%0.72478%0.776SS**  trans101.2111.2148.365.70000122.7
360H44.4Very low44.5Very low170 Ų170131.2 Ų131.279%0.78778%0.782SS**  trans55.489134.6-70.9-76000122
361T33.4Very low43.9Very low132 Ų132130.7 Ų130.781%0.8178%0.782SS**  trans-53.7129139.5-12.20000111.3
362L49.7Very low44.5Very low162 Ų162134.5 Ų134.585%0.84879%0.788SS**  trans-157.988.3158.2-121.3175.8000110.7
363T40.8Very low45.2Very low121 Ų121132.2 Ų132.274%0.74278%0.783SS**  trans-130.8134.5171.77.80000108.9
364P51.6Low44.8Very low115 Ų115132.2 Ų132.275%0.74779%0.785SS**  trans-84132.5-158.230.9-35.6000113.8
365V47.5Very low45Very low138 Ų138131.5 Ų131.584%0.83678%0.783SS**  trans-83.3109.2151.3174.90000107.1L367V365-L367 HydrophobicContact CG1-CD1 4.19Å
366L42.8Very low46Very low141 Ų141132.8 Ų132.874%0.73878%0.78SS**  trans-127117.1170.7-162.3149000109
367L45Very low46.9Very low147 Ų147133.9 Ų133.977%0.7778%0.78SS**  trans-71.7131.7-176.2-7270000110.4V365V365-L367 HydrophobicContact CG1-CD1 4.19Å
368T44.3Very low47.5Very low126 Ų126135.4 Ų135.477%0.77378%0.781SS**  trans-127.2117.715648.80000109.3
369P44Very low47.5Very low128 Ų128142.4 Ų142.483%0.83179%0.793SS**  trans-83146.9-174.432.7-34.9000112
370S42.2Very low47.5Very low128 Ų128141.5 Ų141.590%0.89579%0.792SS**  trans-127.279.6173.1-173.70000111.2
371S45.3Very low47.8Very low113 Ų113140 Ų14079%0.7980%0.795SS**  trans-168.896.6159.4-171.60000111.9
372L51.3Low48.5Very low169 Ų169141 Ų14189%0.88579%0.794SS**  trans-156.1152143.5-85.7-163.3000109.1
373P55.5Low48.3Very low107 Ų107138.4 Ų138.470%0.69579%0.79SS**  trans-101148.6-165.837-34.2000114.7S375P373-S375 PolarHBondContact O-N 2.83Å
374P45.8Very low48.7Very low120 Ų120138.6 Ų138.678%0.77979%0.793SS**  trans-86.895.7157.533.2-28.7000110.2I376P374-I376 PolarHBondContact O-N 3.21Å
375S55.7Low48.5Very low101 Ų101141 Ų14171%0.70680%0.798SS**  trans-79.6100.7161.2-176.60000109.1P373P373-S375 PolarHBondContact O-N 2.83Å
376I57.5Low48.7Very low135 Ų135138.4 Ų138.469%0.69279%0.791SS**  trans-144122.7166.6-88.2130.1000107.9P374 F378P374-I376 PolarHBondContact O-N 3.21Å; I376-F378 HydrophobicContact CG2-CB 4.35Å; I376-F378 HydrophobicContact CG2-CD2 3.89Å
377H58.3Low49.3Very low180 Ų180137.9 Ų137.983%0.83380%0.796SS**  trans-84.5128.3170.5-66.1-88.3000109.4
378F57.2Low49.3Very low182 Ų182142 Ų14280%0.79880%0.801SS**  trans-143.647.5179.5-129.2-82.8000114.5I376I376-F378 HydrophobicContact CG2-CB 4.35Å; I376-F378 HydrophobicContact CG2-CD2 3.89Å
379W48.4Very low49.4Very low257 Ų257141.8 Ų141.897%0.97381%0.805SS**  trans-106.389.8169.1-76-4.7000111.6
380S37.5Very low50Low100 Ų100141.7 Ų141.770%0.69980%0.804SS**  trans35.890.7145.9-54.90000119.7L382S380-L382 VanDerWaalsContact C-N 3.28Å; S380-L382 PolarHBondContact O-N 2.81Å
381T49.3Very low50Low139 Ų139140.6 Ų140.685%0.85380%0.803SS**  trans-85.668.1149.654.90000110.5
382L49Very low50.1Low151 Ų151144.6 Ų144.679%0.79181%0.806SS**  trans-100.198168.1-78.8177000109.4S380 P384S380-L382 VanDerWaalsContact C-N 3.28Å; S380-L382 PolarHBondContact O-N 2.81Å; L382-P384 WeakPolarHBondContact O-CD 3.16Å
383S45.2Very low49.9Very low108 Ų108143.4 Ų143.476%0.75580%0.8SS**  trans-68.1123.6-178-53.80000112.3I385S383-I385 PolarHBondContact O-N 3.13Å
384P48.6Very low49.8Very low126 Ų126142.9 Ų142.982%0.81880%0.799SS**  trans-71110.1159.1-8.725.8000107.9L382 A386L382-P384 WeakPolarHBondContact O-CD 3.16Å; P384-A386 PolarHBondContact O-N 2.83Å
385I48.9Very low49.8Very low165 Ų165146.2 Ų146.285%0.84680%0.801SS**  trans-74.2110.7174.6-141.5166.8000108S383 P387S383-I385 PolarHBondContact O-N 3.13Å; I385-P387 WeakPolarHBondContact O-CD 3.45Å
386A51.7Low49.5Very low83 Ų83150 Ų15069%0.68681%0.808SS**PPolyproline II helixtrans-81.9121-17600000110.5P384 R388P384-A386 PolarHBondContact O-N 2.83Å; A386-R388 PolarHBondContact O-N 3.29Å
387P53.8Low49Very low130 Ų130153.1 Ų153.184%0.84482%0.817SS**PPolyproline II helixtrans-68.4121177.227.2-33000110.6I385I385-P387 WeakPolarHBondContact O-CD 3.45Å
388R46.2Very low48.7Very low234 Ų234150.4 Ų150.488%0.88382%0.815SS**PPolyproline II helixtrans-80123.9177.4-61.317269-129.25.7110.4A386A386-R388 PolarHBondContact O-N 3.29Å
389S46.5Very low47.9Very low121 Ų121147.5 Ų147.585%0.84682%0.817SS**  trans-161.8157.5145.8-89.90000112.1
390P55.4Low47.6Very low126 Ų126141.1 Ų141.182%0.81881%0.812SS**  trans-110.2153.8-151.538.9-32000115.2
391A42.5Very low47.6Very low105 Ų105140.4 Ų140.487%0.86882%0.82SS**  trans-129.9129.8157.200000109.5
392K48Very low47Very low197 Ų197139.8 Ų139.886%0.85782%0.822SS**  trans-94.9115.6-176.2169.5-164.5172.476.70109.1
393L47.9Very low46.5Very low145 Ų145136.6 Ų136.676%0.75982%0.817SS**  trans-145.2100.2165.5-130.1165.3000111.1F395L393-F395 HydrophobicContact CD2-CD2 3.71Å; L393-F395 HydrophobicContact CD2-CE2 3.46Å; L393-F395 VanDerWaalsContact CD2-CE2 3.46Å; L393-F395 HydrophobicContact CD2-CZ 4.46Å
394S52.9Low46.4Very low95 Ų95140.5 Ų140.566%0.66482%0.823SS**  trans-83.1123.5175.247.70000110.1
395F45.4Very low46.1Very low191 Ų191141.8 Ų141.884%0.83883%0.829SS**  trans-119.3143.9156.4-89.5-72.9000110.4L393L393-F395 HydrophobicContact CD2-CD2 3.71Å; L393-F395 HydrophobicContact CD2-CE2 3.46Å; L393-F395 VanDerWaalsContact CD2-CE2 3.46Å; L393-F395 HydrophobicContact CD2-CZ 4.46Å
396Q49.2Very low45.4Very low179 Ų179142.7 Ų142.784%0.83683%0.829SS**  trans-119.6122.6-155.8-179.7174.9-3.400109.1P398Q396-P398 WeakPolarHBondContact O-CD 3.43Å
397F46.3Very low44.9Very low202 Ų202145.4 Ų145.489%0.88683%0.83SS**PPolyproline II helixtrans-72.8128.9175-72-89.1000110.8
398P53.3Low44.8Very low123 Ų123145 Ų14580%0.79983%0.828SS**PPolyproline II helixtrans-76.9140.9156-9.728.2000109.8Q396Q396-P398 WeakPolarHBondContact O-CD 3.43Å
399S40.3Very low44.7Very low120 Ų120138.9 Ų138.984%0.83982%0.821SS**PPolyproline II helixtrans-93.9170.6168.4-1650000110.8
400S42.4Very low44.6Very low124 Ų124141.2 Ų141.287%0.86782%0.822SS**PPolyproline II helixtrans-59.2146-173-53.10000114.9
401G37.8Very low43.8Very low84 Ų84140 Ų14087%0.86682%0.816SS**  trans-144.3146.4167.700000110.8
402S36.7Very low44Very low127 Ų127141.8 Ų141.889%0.88882%0.816SS**  trans-107.4136.1-172.5177.60000112.3
403A37Very low43.8Very low84 Ų84140.1 Ų140.169%0.69482%0.817SS**  trans178.9117.4135.500000113.9
404Q44.8Very low43.4Very low189 Ų189136.3 Ų136.388%0.88381%0.813SS**  28.2113.3129-173.2-177.711.900120.6
405V41.5Very low42.6Very low154 Ų154139.8 Ų139.893%0.93382%0.823SS**  trans-148.4168.2142.5-119.40000112.9
406H33Very low42.4Very low183 Ų183136.5 Ų136.585%0.84782%0.823SS**  trans-105.5157.6-158-165.6-102.9000113.3
407I41.7Very low42.3Very low140 Ų140134 Ų13472%0.71882%0.821SS**  trans-86.8162.7171.3-24.2179.7000109.7
408P52.1Low42.5Very low122 Ų122130.2 Ų130.279%0.79282%0.817SS**  -146.9174.295.837.6-20.5000114.8
409S43.7Very low41.8Very low106 Ų106130 Ų13074%0.74181%0.813SS**  trans-80151.6175.8179.70000112.8
410I44.1Very low41.8Very low169 Ų169130.9 Ų130.987%0.86781%0.812SS**  trans-134.3153.4149.360.9169.2000110.1
411S39.5Very low41.8Very low100 Ų100132.3 Ų132.370%0.69981%0.81SS**  trans-135.2147.4176.4178.80000109.6
412V46.4Very low42Very low143 Ų143133.8 Ų133.887%0.86781%0.807SS**  trans-161.1134.5155.6-92.10000110.7
413D44.3Very low42.9Very low163 Ų163134 Ų13487%0.87281%0.805SS**  trans-84.1162.5165.4-78.1-91.6000111.8
414G39.1Very low42.9Very low65 Ų65133.3 Ų133.367%0.6781%0.806SS**  trans150.4102.7154.900000118.7
415L35.9Very low43.7Very low167 Ų167130.5 Ų130.587%0.87480%0.804SS**  trans39.4116.5147.6-7173.9000120
416S41.8Very low43.8Very low122 Ų122132.9 Ų132.985%0.85381%0.805SS**  -173.7146.8104.3-79.70000112.6
417T46.8Very low43.9Very low128 Ų128132.6 Ų132.679%0.78580%0.802SS**  trans-94.6165.4173.7500000111.7
418P50Low44.8Very low122 Ų122134.1 Ų134.179%0.79282%0.821SS**  trans-122.6149.2139.135.4-29.4000112.6
419V39Very low44.4Very low118 Ų118134.8 Ų134.872%0.71582%0.822SS**  trans-85.1144.6179.81690000110.9L421V419-L421 HydrophobicContact CG1-CD1 4.21Å; V419-L421 HydrophobicContact CG1-CG 3.92Å
420V41.3Very low44.4Very low138 Ų138136.3 Ų136.384%0.83683%0.826SS**  trans-102.9126.6167.41780000109.2
421L41.4Very low44.4Very low155 Ų155134.4 Ų134.481%0.81282%0.824SS**  trans-129.8142.6174.5-82.1168.4000110.8V419V419-L421 HydrophobicContact CG1-CD1 4.21Å; V419-L421 HydrophobicContact CG1-CG 3.92Å
422S42.2Very low44.7Very low115 Ų115136.5 Ų136.580%0.80483%0.831SS**PPolyproline II helixtrans-82.2145-170.5-49.20000113.5
423P55.5Low44.6Very low132 Ų132136.1 Ų136.186%0.85783%0.829SS**PPolyproline II helixtrans-81.9126169.231.9-31.8000111.8
424G37.5Very low44.6Very low69 Ų69134.3 Ų134.371%0.71183%0.826SS**PPolyproline II helixtrans-91.8163.5166.200000112.3
425P61.7Low45Very low130 Ų130139.2 Ų139.284%0.84484%0.837SS**PPolyproline II helixtrans-90148.2-171.535.1-35000113.6
426Q43.2Very low45.7Very low204 Ų204137.1 Ų137.195%0.95384%0.835SS**  trans-140.6154.1153-86.6-157.3-21.800112.2
427K35.2Very low46.1Very low177 Ų177138.3 Ų138.377%0.7783%0.833SS**  trans-135.4151.1174.6-158.5-169.2174.9-88.80106.6
428P59.2Low46Very low172 Ų172139.3 Ų139.3100%1.11784%0.837SS**  -115.90122.931.6-30.7000111.7

Retrieved 428 of 428 residues in 239.1 ms (Link to these results)

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