A0A3Q0KMN9_SCHMA Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KMN9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 698 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
1M33.8Very low44.4Very low239 Ų239145.3 Ų145.3100%1.17776%0.764SS**  0134.50-76.7171.2171.900106.8D3M1-D3 PolarHBondContact O-N 3.38Å
2K37.5Very low44.9Very low201 Ų201140 Ų14087%0.87475%0.748SS**  trans-53.7134.5-174.4-74.7178.2173.8179.60110.8V4K2-V4 PolarHBondContact O-N 2.93Å
3D41.5Very low45Very low151 Ų151143.4 Ų143.481%0.80775%0.746SS**  trans-54.299.2178.7-69.3-49.2000111.1M1 K5M1-D3 PolarHBondContact O-N 3.38Å; D3-K5 PolarHBondContact O-N 3.05Å
4V41.4Very low45Very low134 Ų134139.1 Ų139.181%0.81273%0.734SS**  trans-86105.2164.6-179.30000105.7K2K2-V4 PolarHBondContact O-N 2.93Å
5K43.4Very low44.6Very low169 Ų169139.9 Ų139.974%0.73574%0.74SS**  trans-54.4139.1174.2-71.9-177.9177.7-179.40109.1D3 Y7D3-K5 PolarHBondContact O-N 3.05Å; K5-Y7 PolarHBondContact O-N 2.68Å
6P49.4Very low44.7Very low116 Ų116137.8 Ų137.875%0.75374%0.736SS**SBendtrans-73.12.3-159.6-15.530.8000115.8
7Y48.6Very low44.7Very low166 Ų166135.8 Ų135.865%0.65173%0.733SS**SBendtrans-162.4142.9173.930.5-90.2000108.2K5 V9K5-Y7 PolarHBondContact O-N 2.68Å; Y7-V9 PolarHBondContact O-N 3.42Å
8P44.4Very low44.8Very low135 Ų135135.9 Ų135.988%0.87774%0.738SS**  trans-61.511217424.5-30.2000108.3D10P8-D10 PolarHBondContact O-N 3.2Å
9V45.8Very low45.2Very low85 Ų85135.7 Ų135.752%0.51574%0.735SS.*  trans-69118166.7-177.70000105.4Y7 P11Y7-V9 PolarHBondContact O-N 3.42Å; V9-P11 WeakPolarHBondContact O-CD 3.35Å
10D48.2Very low45.9Very low94 Ų94137.9 Ų137.950%0.50374%0.74SS.*  trans-52.6122.6172.2-177.6-13.8000107.9P8 S12 Y13P8-D10 PolarHBondContact O-N 3.2Å; D10-S12 PolarHBondContact O-N 3.42Å; D10-S12 PolarHBondContact OD1-N 2.98Å; D10-S12 VanDerWaalsContact OD1-N 3.08Å; D10-S12 PolarHBondContact OD1-OG 3.3Å; D10-S12 PolarHBondContact OD2-OG 3.41Å; D10-Y13 HydrophobicContact CB-CD2 4.07Å; D10-Y13 HydrophobicContact CB-CE2 4.47Å; D10-Y13 PolarHBondContact O-N 3.12Å
11P54.1Low47.1Very low108 Ų108134.1 Ų134.170%0.70172%0.722SS**G310 helixtrans-51.8-20.1179.4-26.734.1000113.7V9 Y13 S14V9-P11 WeakPolarHBondContact O-CD 3.35Å; P11-Y13 PolarHBondContact O-N 3.38Å; P11-S14 PolarHBondContact O-N 3.25Å; P11-S14 PolarHBondContact O-OG 3Å; P11-S14 VanDerWaalsContact O-OG 3.1Å
12S50.8Low49.4Very low82 Ų82127.4 Ų127.457%0.57369%0.691SS**G310 helixtrans-62.7-17.7174.973.60000114.6D10D10-S12 PolarHBondContact O-N 3.42Å; D10-S12 PolarHBondContact OD1-N 2.98Å; D10-S12 VanDerWaalsContact OD1-N 3.08Å; D10-S12 PolarHBondContact OD1-OG 3.3Å; D10-S12 PolarHBondContact OD2-OG 3.41Å
13Y45.7Very low51.6Low184 Ų184122.1 Ų122.172%0.72267%0.666SS**G310 helixtrans-99.114.6178-70-81.6000113.6D10 P11 D15D10-Y13 HydrophobicContact CB-CD2 4.07Å; D10-Y13 HydrophobicContact CB-CE2 4.47Å; D10-Y13 PolarHBondContact O-N 3.12Å; P11-Y13 PolarHBondContact O-N 3.38Å; Y13-D15 PolarHBondContact O-N 3.32Å
14S45.4Very low53.8Low83 Ų83117.8 Ų117.858%0.5865%0.648SS**SBendtrans-59.6130159.955.40000108.3P11 P16P11-S14 PolarHBondContact O-N 3.25Å; P11-S14 PolarHBondContact O-OG 3Å; P11-S14 VanDerWaalsContact O-OG 3.1Å; S14-P16 VanDerWaalsContact O-N 3.14Å
15D39.6Very low56.1Low152 Ų152116.7 Ų116.781%0.81364%0.642SS**PPolyproline II helixtrans-46.1126.9167.7-72.5-40.7000107.4Y13Y13-D15 PolarHBondContact O-N 3.32Å
16P45.9Very low58.4Low105 Ų105110.2 Ų110.268%0.68261%0.613SS**PPolyproline II helixtrans-53138-179.220-30.1000107.9S14 V18S14-P16 VanDerWaalsContact O-N 3.14Å; P16-V18 PolarHBondContact O-N 2.88Å
17P44.7Very low60.5Low105 Ų105106.9 Ų106.968%0.68260%0.599SS**PPolyproline II helixtrans-51.4138.2178.521.6-31.6000108I19P17-I19 VanDerWaalsContact C-N 3.25Å; P17-I19 WeakPolarHBondContact O-CG1 3.3Å; P17-I19 PolarHBondContact O-N 3.43Å
18V47Very low62.8Low137 Ų13799.5 Ų99.583%0.8357%0.571SS**  trans-56.999.2171.9179.20000105.9P16 E20P16-V18 PolarHBondContact O-N 2.88Å; V18-E20 PolarHBondContact O-N 2.73Å
19I51Low65.2Low133 Ų13394.6 Ų94.668%0.68254%0.539SS*.  trans-71.195.7173.8-57174.5000103.4P17 T21P17-I19 VanDerWaalsContact C-N 3.25Å; P17-I19 WeakPolarHBondContact O-CG1 3.3Å; P17-I19 PolarHBondContact O-N 3.43Å; I19-T21 PolarHBondContact O-N 2.97Å; I19-T21 PolarHBondContact O-OG1 2.88Å
20E58.9Low67.6Low178 Ų17894.7 Ų94.783%0.83253%0.532SS*.  trans-53.599.9160.5-82.9-174.8173.500105.6V18 D22V18-E20 PolarHBondContact O-N 2.73Å; E20-D22 PolarHBondContact O-N 3.28Å; E20-D22 VanDerWaalsContact O-N 3.13Å
21T71.2Confident69.9Low60 Ų6090.2 Ų90.237%0.36851%0.508SS..  trans-70.6116.8-174.1-54.40000105.5I19 Y23 W26I19-T21 PolarHBondContact O-N 2.97Å; I19-T21 PolarHBondContact O-OG1 2.88Å; T21-Y23 HydrophobicContact CG2-CD1 4.31Å; T21-Y23 HydrophobicContact CG2-CE1 3.9Å; T21-Y23 WeakPolarHBondContact O-CD2 3.5Å; T21-Y23 WeakPolarHBondContact O-CE2 3.33Å; T21-Y23 VanDerWaalsContact O-CG 3.29Å; T21-Y23 PolarHBondContact O-N 3.46Å; T21-W26 HydrophobicContact CG2-CZ2 3.82Å
22D82.9Confident71.9Confident98 Ų9885.1 Ų85.152%0.52448%0.475SS..  trans-65102.8179.2179.413.7000109.7E20 S24E20-D22 PolarHBondContact O-N 3.28Å; E20-D22 VanDerWaalsContact O-N 3.13Å; D22-S24 VanDerWaalsContact C-N 3.3Å; D22-S24 WeakPolarHBondContact OD1-CB 3.47Å; D22-S24 PolarHBondContact OD1-N 2.96Å; D22-S24 PolarHBondContact OD1-OG 3.45Å; D22-S24 PolarHBondContact OD2-OG 2.89Å
23Y84.4Confident74Confident89 Ų8983.5 Ų83.535%0.34946%0.458SS..  trans-84-4178.7-50.3-65.3000112.5T21 T25 W26 I36T21-Y23 HydrophobicContact CG2-CD1 4.31Å; T21-Y23 HydrophobicContact CG2-CE1 3.9Å; T21-Y23 WeakPolarHBondContact O-CD2 3.5Å; T21-Y23 WeakPolarHBondContact O-CE2 3.33Å; T21-Y23 VanDerWaalsContact O-CG 3.29Å; T21-Y23 PolarHBondContact O-N 3.46Å; Y23-T25 PolarHBondContact O-N 3.48Å; Y23-W26 AromaticContact CD1-CD2 3.8Å; Y23-W26 HydrophobicContact CD1-CD2 3.8Å; Y23-W26 AromaticContact CD1-CE2 3.7Å; Y23-W26 AromaticContact CD1-CE3 3.69Å; Y23-W26 HydrophobicContact CD1-CE3 3.69Å; Y23-W26 AromaticContact CD1-CH2 3.5Å; Y23-W26 HydrophobicContact CD1-CH2 3.5Å; Y23-W26 VanDerWaalsContact CD1-CH2 3.5Å; Y23-W26 AromaticContact CD1-CZ2 3.59Å; Y23-W26 HydrophobicContact CD1-CZ2 3.59Å; Y23-W26 AromaticContact CD1-CZ3 3.52Å; Y23-W26 HydrophobicContact CD1-CZ3 3.52Å; Y23-W26 HydrophobicContact CE1-CE3 4.4Å; Y23-W26 AromaticContact CE1-CH2 3.43Å; Y23-W26 HydrophobicContact CE1-CH2 3.43Å; Y23-W26 VanDerWaalsContact CE1-CH2 3.43Å; Y23-W26 AromaticContact CE1-CZ2 3.76Å; Y23-W26 HydrophobicContact CE1-CZ2 3.76Å; Y23-W26 AromaticContact CE1-CZ3 3.77Å; Y23-W26 HydrophobicContact CE1-CZ3 3.77Å; Y23-W26 WeakPolarHBondContact O-CB 3.37Å; Y23-W26 PolarHBondContact O-N 3.29Å; Y23-I36 HydrophobicContact CD1-CD1 4.02Å; Y23-I36 HydrophobicContact CD1-CG1 3.95Å; Y23-I36 HydrophobicContact CD2-CD1 4.09Å; Y23-I36 HydrophobicContact CD2-CG1 4.38Å; Y23-I36 HydrophobicContact CD2-CG2 3.97Å; Y23-I36 HydrophobicContact CE1-CD1 3.86Å; Y23-I36 HydrophobicContact CE1-CG1 4.27Å; Y23-I36 HydrophobicContact CE2-CD1 3.94Å; Y23-I36 HydrophobicContact CG-CD1 4.13Å; Y23-I36 HydrophobicContact CG-CG1 4.01Å; Y23-I36 HydrophobicContact CG-CG2 3.95Å
24S86.2Confident76.3Confident61 Ų6181 Ų8143%0.42745%0.448SS..THydrogen-bonded Turntrans-62.2-26.2-17770.80000113D22 R39D22-S24 VanDerWaalsContact C-N 3.3Å; D22-S24 WeakPolarHBondContact OD1-CB 3.47Å; D22-S24 PolarHBondContact OD1-N 2.96Å; D22-S24 PolarHBondContact OD1-OG 3.45Å; D22-S24 PolarHBondContact OD2-OG 2.89Å; S24-R39 PolarHBondContact O-NE 3.35Å; S24-R39 PolarHBondContact O-NH2 3.47Å
25T90Very high78.5Confident110 Ų11078.2 Ų78.268%0.67543%0.433SS*.THydrogen-bonded Turntrans-89.3-7.2178.458.90000113.5Y23Y23-T25 PolarHBondContact O-N 3.48Å
26W92.5Very high81.1Confident33 Ų3372.6 Ų72.613%0.12540%0.403CS..  trans-76133.6-175.4-69.519.2000110.5T21 Y23 K30 Y34 I36 R39T21-W26 HydrophobicContact CG2-CZ2 3.82Å; Y23-W26 AromaticContact CD1-CD2 3.8Å; Y23-W26 HydrophobicContact CD1-CD2 3.8Å; Y23-W26 AromaticContact CD1-CE2 3.7Å; Y23-W26 AromaticContact CD1-CE3 3.69Å; Y23-W26 HydrophobicContact CD1-CE3 3.69Å; Y23-W26 AromaticContact CD1-CH2 3.5Å; Y23-W26 HydrophobicContact CD1-CH2 3.5Å; Y23-W26 VanDerWaalsContact CD1-CH2 3.5Å; Y23-W26 AromaticContact CD1-CZ2 3.59Å; Y23-W26 HydrophobicContact CD1-CZ2 3.59Å; Y23-W26 AromaticContact CD1-CZ3 3.52Å; Y23-W26 HydrophobicContact CD1-CZ3 3.52Å; Y23-W26 HydrophobicContact CE1-CE3 4.4Å; Y23-W26 AromaticContact CE1-CH2 3.43Å; Y23-W26 HydrophobicContact CE1-CH2 3.43Å; Y23-W26 VanDerWaalsContact CE1-CH2 3.43Å; Y23-W26 AromaticContact CE1-CZ2 3.76Å; Y23-W26 HydrophobicContact CE1-CZ2 3.76Å; Y23-W26 AromaticContact CE1-CZ3 3.77Å; Y23-W26 HydrophobicContact CE1-CZ3 3.77Å; Y23-W26 WeakPolarHBondContact O-CB 3.37Å; Y23-W26 PolarHBondContact O-N 3.29Å; W26-K30 HydrophobicContact CB-CD 4.42Å; W26-K30 HydrophobicContact CD2-CD 3.75Å; W26-K30 HydrophobicContact CD2-CG 4.08Å; W26-K30 HydrophobicContact CE3-CD 3.97Å; W26-K30 HydrophobicContact CE3-CG 3.78Å; W26-K30 HydrophobicContact CG-CD 3.97Å; W26-K30 HydrophobicContact CZ3-CG 4.26Å; W26-Y34 HydrophobicContact CH2-CD1 4.03Å; W26-Y34 HydrophobicContact CH2-CD2 4.45Å; W26-Y34 HydrophobicContact CH2-CE1 4.44Å; W26-Y34 HydrophobicContact CH2-CG 4.03Å; W26-Y34 HydrophobicContact CZ3-CD1 4.01Å; W26-Y34 AromaticContact CZ3-CD2 3.9Å; W26-Y34 HydrophobicContact CZ3-CD2 3.9Å; W26-Y34 AromaticContact CZ3-CG 3.54Å; W26-Y34 HydrophobicContact CZ3-CG 3.54Å; W26-I36 HydrophobicContact CE3-CG1 4.31Å; W26-I36 HydrophobicContact CZ3-CG1 4.15Å; W26-R39 PolarHBondContact O-NE 3.24Å; W26-R39 VanDerWaalsContact O-NE 3.09Å; W26-R39 PolarHBondContact O-NH2 3.01Å
27G93.4Very high83.3Confident46 Ų4669.8 Ų69.847%0.47438%0.382SS..  trans-67160.2169.100000111.8V29 K30 A31G27-V29 PolarHBondContact O-N 2.62Å; G27-K30 PolarHBondContact O-N 3.44Å; G27-A31 PolarHBondContact O-N 3.23Å
28I95.7Very high85.6Confident12 Ų1270.7 Ų70.76%0.06238%0.375CS..Hα-helixtrans-60.6-41.3-169.5-167.9161.9000113.4K30 A31 V32 L43 V44 Y54 L66I28-K30 PolarHBondContact O-N 3.32Å; I28-A31 PolarHBondContact O-N 3.33Å; I28-V32 HydrophobicContact CG1-CG2 4.37Å; I28-V32 VanDerWaalsContact O-CG2 3.31Å; I28-V32 WeakPolarHBondContact O-CG2 3.36Å; I28-V32 PolarHBondContact O-N 2.93Å; I28-L43 HydrophobicContact CB-CD1 3.73Å; I28-L43 HydrophobicContact CD1-CB 4.1Å; I28-L43 HydrophobicContact CG1-CB 4.48Å; I28-L43 HydrophobicContact CG1-CD1 4.31Å; I28-V44 HydrophobicContact CD1-CG2 3.65Å; I28-Y54 HydrophobicContact CD1-CD1 3.63Å; I28-Y54 HydrophobicContact CD1-CD2 4.31Å; I28-Y54 HydrophobicContact CD1-CE1 4.25Å; I28-Y54 HydrophobicContact CD1-CG 3.66Å; I28-Y54 HydrophobicContact CG2-CD1 4.28Å; I28-Y54 HydrophobicContact CG2-CD2 3.81Å; I28-Y54 HydrophobicContact CG2-CE1 4.01Å; I28-Y54 HydrophobicContact CG2-CE2 3.49Å; I28-Y54 VanDerWaalsContact CG2-CE2 3.49Å; I28-Y54 HydrophobicContact CG2-CG 4.19Å; I28-L66 HydrophobicContact CD1-CD1 3.53Å; I28-L66 HydrophobicContact CG1-CD1 3.89Å; I28-L66 HydrophobicContact CG1-CD2 4.18Å; I28-L66 HydrophobicContact CG2-CD2 4.01Å
29V96.4Very high87.8Confident32 Ų3266.4 Ų66.419%0.19434%0.344CS..Hα-helixtrans-60.1-47.31791740000110.9G27 V32 Q33 D60 L66 W69G27-V29 PolarHBondContact O-N 2.62Å; V29-V32 PolarHBondContact O-N 3.21Å; V29-Q33 HydrophobicContact CG1-CG 4.42Å; V29-Q33 WeakPolarHBondContact O-CG 3.43Å; V29-Q33 PolarHBondContact O-N 2.91Å; V29-D60 HydrophobicContact CG2-CB 4.32Å; V29-L66 HydrophobicContact CG2-CD2 3.98Å; V29-W69 HydrophobicContact CG1-CD2 4.19Å; V29-W69 HydrophobicContact CG1-CG 4.1Å; V29-W69 HydrophobicContact CG1-CZ2 4.49Å
30K95.5Very high90Very high87 Ų8760.1 Ų60.138%0.37831%0.311SS..Hα-helixtrans-64.3-42.7177.1-169.2-178.6178.9-173.50111.2W26 G27 I28 V32 Q33 Y34W26-K30 HydrophobicContact CB-CD 4.42Å; W26-K30 HydrophobicContact CD2-CD 3.75Å; W26-K30 HydrophobicContact CD2-CG 4.08Å; W26-K30 HydrophobicContact CE3-CD 3.97Å; W26-K30 HydrophobicContact CE3-CG 3.78Å; W26-K30 HydrophobicContact CG-CD 3.97Å; W26-K30 HydrophobicContact CZ3-CG 4.26Å; G27-K30 PolarHBondContact O-N 3.44Å; I28-K30 PolarHBondContact O-N 3.32Å; K30-V32 VanDerWaalsContact C-N 3.29Å; K30-V32 PolarHBondContact O-N 3.4Å; K30-Q33 PolarHBondContact O-N 3.42Å; K30-Y34 HydrophobicContact CG-CD2 3.86Å; K30-Y34 HydrophobicContact CG-CE2 3.96Å; K30-Y34 VanDerWaalsContact O-CD2 3.28Å; K30-Y34 WeakPolarHBondContact O-CD2 3.29Å; K30-Y34 PolarHBondContact O-N 3.38Å; K30-Y34 VanDerWaalsContact O-N 3.07Å
31A96.2Very high91.7Very high0 Ų054.7 Ų54.70%029%0.288CS..Hα-helixtrans-58.9-41.1175.300000111.9G27 I28 G35 I36 R39 V40G27-A31 PolarHBondContact O-N 3.23Å; I28-A31 PolarHBondContact O-N 3.33Å; A31-G35 PolarHBondContact O-N 2.88Å; A31-I36 HydrophobicContact CB-CB 4.45Å; A31-I36 PolarHBondContact O-N 2.71Å; A31-R39 HydrophobicContact CB-CB 4.08Å; A31-R39 HydrophobicContact CB-CG 3.74Å; A31-V40 HydrophobicContact CB-CG2 3.85Å
32V96.9Very high92.8Very high0 Ų056.4 Ų56.40%029%0.291CS..Hα-helixtrans-63.9-54.5174.6171.10000111.3I28 V29 K30 Y34 G35 V40 L66 W69 A70 R75 I78I28-V32 HydrophobicContact CG1-CG2 4.37Å; I28-V32 VanDerWaalsContact O-CG2 3.31Å; I28-V32 WeakPolarHBondContact O-CG2 3.36Å; I28-V32 PolarHBondContact O-N 2.93Å; V29-V32 PolarHBondContact O-N 3.21Å; K30-V32 VanDerWaalsContact C-N 3.29Å; K30-V32 PolarHBondContact O-N 3.4Å; V32-Y34 PolarHBondContact O-N 3.47Å; V32-G35 PolarHBondContact O-N 3.29Å; V32-V40 HydrophobicContact CG2-CG1 4.28Å; V32-V40 HydrophobicContact CG2-CG2 3.68Å; V32-L66 HydrophobicContact CG2-CB 4.46Å; V32-L66 HydrophobicContact CG2-CD2 4.23Å; V32-W69 HydrophobicContact CG1-CB 3.74Å; V32-A70 HydrophobicContact CG1-CB 3.91Å; V32-R75 WeakPolarHBondContact O-CG 3.45Å; V32-I78 HydrophobicContact CG1-CG2 4.11Å; V32-I78 HydrophobicContact CG2-CG2 4.03Å
33Q95Very high93.4Very high48 Ų4853.8 Ų53.822%0.22428%0.277CS..Hα-helixtrans-53.6-40.1-178.6-73.1170.7-15.700112.2V29 K30 W69 R75V29-Q33 HydrophobicContact CG1-CG 4.42Å; V29-Q33 WeakPolarHBondContact O-CG 3.43Å; V29-Q33 PolarHBondContact O-N 2.91Å; K30-Q33 PolarHBondContact O-N 3.42Å; Q33-W69 HydrophobicContact CG-CB 4.26Å; Q33-W69 HydrophobicContact CG-CD2 4.02Å; Q33-W69 HydrophobicContact CG-CE3 3.71Å; Q33-W69 HydrophobicContact CG-CG 4.29Å; Q33-W69 HydrophobicContact CG-CZ3 4.39Å; Q33-R75 VanDerWaalsContact O-CZ 3.28Å; Q33-R75 PolarHBondContact O-NE 3.25Å; Q33-R75 PolarHBondContact O-NH2 3Å
34Y92.5Very high94Very high131 Ų13150.2 Ų50.251%0.51427%0.265SS..Hα-helixtrans-89.4-4.9-178.5-76.5-97.8000114.7W26 K30 V32 R75W26-Y34 HydrophobicContact CH2-CD1 4.03Å; W26-Y34 HydrophobicContact CH2-CD2 4.45Å; W26-Y34 HydrophobicContact CH2-CE1 4.44Å; W26-Y34 HydrophobicContact CH2-CG 4.03Å; W26-Y34 HydrophobicContact CZ3-CD1 4.01Å; W26-Y34 AromaticContact CZ3-CD2 3.9Å; W26-Y34 HydrophobicContact CZ3-CD2 3.9Å; W26-Y34 AromaticContact CZ3-CG 3.54Å; W26-Y34 HydrophobicContact CZ3-CG 3.54Å; K30-Y34 HydrophobicContact CG-CD2 3.86Å; K30-Y34 HydrophobicContact CG-CE2 3.96Å; K30-Y34 VanDerWaalsContact O-CD2 3.28Å; K30-Y34 WeakPolarHBondContact O-CD2 3.29Å; K30-Y34 PolarHBondContact O-N 3.38Å; K30-Y34 VanDerWaalsContact O-N 3.07Å; V32-Y34 PolarHBondContact O-N 3.47Å; Y34-R75 VanDerWaalsContact C-NH2 3.3Å; Y34-R75 PolarHBondContact O-NH2 3.21Å
35G92.2Very high94.4Very high26 Ų2651.7 Ų51.727%0.26827%0.265SS..THydrogen-bonded Turntrans83.220.117400000115.2A31 V32 I37A31-G35 PolarHBondContact O-N 2.88Å; V32-G35 PolarHBondContact O-N 3.29Å; G35-I37 VanDerWaalsContact C-N 3.35Å; G35-I37 PolarHBondContact O-N 2.89Å
36I93.8Very high94.5Very high33 Ų3348 Ų4817%0.16924%0.242CC..  trans-83.576.6-176.5-45.6-56.2000110.2Y23 W26 A31 K38 R39 V40Y23-I36 HydrophobicContact CD1-CD1 4.02Å; Y23-I36 HydrophobicContact CD1-CG1 3.95Å; Y23-I36 HydrophobicContact CD2-CD1 4.09Å; Y23-I36 HydrophobicContact CD2-CG1 4.38Å; Y23-I36 HydrophobicContact CD2-CG2 3.97Å; Y23-I36 HydrophobicContact CE1-CD1 3.86Å; Y23-I36 HydrophobicContact CE1-CG1 4.27Å; Y23-I36 HydrophobicContact CE2-CD1 3.94Å; Y23-I36 HydrophobicContact CG-CD1 4.13Å; Y23-I36 HydrophobicContact CG-CG1 4.01Å; Y23-I36 HydrophobicContact CG-CG2 3.95Å; W26-I36 HydrophobicContact CE3-CG1 4.31Å; W26-I36 HydrophobicContact CZ3-CG1 4.15Å; A31-I36 HydrophobicContact CB-CB 4.45Å; A31-I36 PolarHBondContact O-N 2.71Å; I36-K38 VanDerWaalsContact C-N 3.35Å; I36-K38 PolarHBondContact O-N 3Å; I36-R39 HydrophobicContact CB-CB 4.18Å; I36-R39 HydrophobicContact CG2-CB 3.62Å; I36-R39 PolarHBondContact O-N 3.36Å; I36-R39 VanDerWaalsContact O-N 3.16Å; I36-V40 PolarHBondContact O-N 2.73Å; I36-V40 VanDerWaalsContact O-N 3.13Å
37I92.7Very high94.5Very high47 Ų4752.2 Ų52.224%0.24128%0.277CS..Hα-helixtrans-58.6-39.9-171.5-169.2166.9000113.8G35 R39 V40 I41 A77 I78G35-I37 VanDerWaalsContact C-N 3.35Å; G35-I37 PolarHBondContact O-N 2.89Å; I37-R39 VanDerWaalsContact C-N 3.31Å; I37-R39 PolarHBondContact O-N 3Å; I37-V40 PolarHBondContact O-N 3.17Å; I37-V40 VanDerWaalsContact O-N 3.13Å; I37-I41 HydrophobicContact CG1-CD1 3.94Å; I37-I41 HydrophobicContact CG1-CG1 4.29Å; I37-I41 WeakPolarHBondContact O-CG1 3.33Å; I37-I41 PolarHBondContact O-N 3.27Å; I37-A77 HydrophobicContact CD1-CB 3.79Å; I37-I78 HydrophobicContact CB-CG1 4.06Å; I37-I78 HydrophobicContact CG1-CG1 4.19Å
38K92.2Very high94.4Very high124 Ų12453.5 Ų53.554%0.53927%0.273SS..Hα-helixtrans-57-46.5177.7-69.2-175.2176.3-176.50111I36 V40 I41 E42 E444I36-K38 VanDerWaalsContact C-N 3.35Å; I36-K38 PolarHBondContact O-N 3Å; K38-V40 VanDerWaalsContact C-N 3.34Å; K38-V40 PolarHBondContact O-N 3.13Å; K38-I41 PolarHBondContact O-N 2.6Å; K38-E42 WeakPolarHBondContact O-CG 3.41Å; K38-E42 PolarHBondContact O-N 3.23Å; K38-E444 IonicContact NZ-OE1 2.69Å; K38-E444 PolarHBondContact NZ-OE1 2.9Å
39R94.2Very high94Very high47 Ų4759.1 Ų59.118%0.17731%0.311CS..Hα-helixtrans-64.9-37.3177.9-177.857.9-177.4159.1-0.2112.5S24 W26 A31 I36 I37 E42 L43S24-R39 PolarHBondContact O-NE 3.35Å; S24-R39 PolarHBondContact O-NH2 3.47Å; W26-R39 PolarHBondContact O-NE 3.24Å; W26-R39 VanDerWaalsContact O-NE 3.09Å; W26-R39 PolarHBondContact O-NH2 3.01Å; A31-R39 HydrophobicContact CB-CB 4.08Å; A31-R39 HydrophobicContact CB-CG 3.74Å; I36-R39 HydrophobicContact CB-CB 4.18Å; I36-R39 HydrophobicContact CG2-CB 3.62Å; I36-R39 PolarHBondContact O-N 3.36Å; I36-R39 VanDerWaalsContact O-N 3.16Å; I37-R39 VanDerWaalsContact C-N 3.31Å; I37-R39 PolarHBondContact O-N 3Å; R39-E42 IonicContact NH1-OE2 3.3Å; R39-E42 PolarHBondContact NH1-OE2 3.3Å; R39-L43 HydrophobicContact CG-CD1 4.23Å; R39-L43 WeakPolarHBondContact O-CB 3.46Å; R39-L43 WeakPolarHBondContact O-CG 3.18Å; R39-L43 PolarHBondContact O-N 2.77Å; R39-L43 VanDerWaalsContact O-N 3.14Å
40V96.1Very high93.7Very high0 Ų065.8 Ų65.80%034%0.34CS..Hα-helixtrans-64.4-45.3174.9176.50000110.7A31 V32 I36 I37 K38 L43 V44 I78 Y81 L82A31-V40 HydrophobicContact CB-CG2 3.85Å; V32-V40 HydrophobicContact CG2-CG1 4.28Å; V32-V40 HydrophobicContact CG2-CG2 3.68Å; I36-V40 PolarHBondContact O-N 2.73Å; I36-V40 VanDerWaalsContact O-N 3.13Å; I37-V40 PolarHBondContact O-N 3.17Å; I37-V40 VanDerWaalsContact O-N 3.13Å; K38-V40 VanDerWaalsContact C-N 3.34Å; K38-V40 PolarHBondContact O-N 3.13Å; V40-L43 PolarHBondContact O-N 2.98Å; V40-V44 HydrophobicContact CG1-CG2 4.35Å; V40-V44 WeakPolarHBondContact O-CG2 3.26Å; V40-V44 PolarHBondContact O-N 2.67Å; V40-I78 HydrophobicContact CG1-CG2 4.38Å; V40-I78 HydrophobicContact CG2-CD1 4.09Å; V40-Y81 HydrophobicContact CG1-CD1 4.13Å; V40-Y81 HydrophobicContact CG1-CE1 4.15Å; V40-L82 HydrophobicContact CG1-CD2 4.48Å
41I95.6Very high93.5Very high65 Ų6566.8 Ų66.833%0.33335%0.349SS..Hα-helixtrans-61.3-47177.2-65.2167.7000110.6I37 K38 L43 V44 E45 Y81I37-I41 HydrophobicContact CG1-CD1 3.94Å; I37-I41 HydrophobicContact CG1-CG1 4.29Å; I37-I41 WeakPolarHBondContact O-CG1 3.33Å; I37-I41 PolarHBondContact O-N 3.27Å; K38-I41 PolarHBondContact O-N 2.6Å; I41-L43 VanDerWaalsContact C-N 3.25Å; I41-L43 PolarHBondContact O-N 3.49Å; I41-V44 PolarHBondContact O-N 2.97Å; I41-E45 WeakPolarHBondContact O-CA 3.12Å; I41-E45 PolarHBondContact O-N 2.86Å; I41-Y81 HydrophobicContact CB-CE2 4.5Å; I41-Y81 HydrophobicContact CD1-CD2 4.47Å; I41-Y81 HydrophobicContact CD1-CE2 4.44Å; I41-Y81 HydrophobicContact CG1-CD1 4.35Å; I41-Y81 HydrophobicContact CG1-CD2 3.98Å; I41-Y81 HydrophobicContact CG1-CE1 4.07Å; I41-Y81 HydrophobicContact CG1-CE2 3.68Å; I41-Y81 HydrophobicContact CG1-CG 4.3Å; I41-Y81 HydrophobicContact CG2-CE2 4.48Å
42E94.6Very high93.2Very high95 Ų9573.6 Ų73.644%0.44439%0.39SS..Hα-helixtrans-57.1-36177.3-75168.5-165.100113.4K38 R39 E45 P46K38-E42 WeakPolarHBondContact O-CG 3.41Å; K38-E42 PolarHBondContact O-N 3.23Å; R39-E42 IonicContact NH1-OE2 3.3Å; R39-E42 PolarHBondContact NH1-OE2 3.3Å; E42-E45 CarbonylContact O-C 3.58Å; E42-P46 VanDerWaalsContact O-CA 3.22Å; E42-P46 WeakPolarHBondContact O-CA 3.5Å
43L95.9Very high93Very high43 Ų4375.1 Ų75.123%0.22541%0.405CS..Hα-helixtrans-81.7-33.4-178.7-74.6176.2000113I28 R39 V40 I41 Y54I28-L43 HydrophobicContact CB-CD1 3.73Å; I28-L43 HydrophobicContact CD1-CB 4.1Å; I28-L43 HydrophobicContact CG1-CB 4.48Å; I28-L43 HydrophobicContact CG1-CD1 4.31Å; R39-L43 HydrophobicContact CG-CD1 4.23Å; R39-L43 WeakPolarHBondContact O-CB 3.46Å; R39-L43 WeakPolarHBondContact O-CG 3.18Å; R39-L43 PolarHBondContact O-N 2.77Å; R39-L43 VanDerWaalsContact O-N 3.14Å; V40-L43 PolarHBondContact O-N 2.98Å; I41-L43 VanDerWaalsContact C-N 3.25Å; I41-L43 PolarHBondContact O-N 3.49Å; L43-Y54 WeakPolarHBondContact O-CB 3.49Å; L43-Y54 PolarHBondContact O-N 3.46Å
44V96.2Very high93Very high15 Ų1575.5 Ų75.59%0.09141%0.405CS..Hα-helixtrans-79.1-36.8176.91760000110.9I28 V40 I41 G53 V56 Y81 K85I28-V44 HydrophobicContact CD1-CG2 3.65Å; V40-V44 HydrophobicContact CG1-CG2 4.35Å; V40-V44 WeakPolarHBondContact O-CG2 3.26Å; V40-V44 PolarHBondContact O-N 2.67Å; I41-V44 PolarHBondContact O-N 2.97Å; V44-G53 VanDerWaalsContact O-CA 3.24Å; V44-G53 WeakPolarHBondContact O-CA 3.49Å; V44-V56 HydrophobicContact CG1-CG1 3.74Å; V44-V56 HydrophobicContact CG2-CG1 3.92Å; V44-Y81 HydrophobicContact CB-CE1 4.04Å; V44-Y81 WeakPolarHBondContact CB-OH 2.99Å; V44-Y81 HydrophobicContact CG1-CE1 4.18Å; V44-Y81 WeakPolarHBondContact CG1-OH 3.44Å; V44-Y81 HydrophobicContact CG2-CE1 4.1Å; V44-K85 HydrophobicContact CG1-CG 4.29Å
45E94.8Very high93.1Very high91 Ų9173.6 Ų73.643%0.42540%0.404SS..SBendtrans-128.972.8-177.9-62.5-178.3123.600110.3I41 E42 S47 Y81 K85I41-E45 WeakPolarHBondContact O-CA 3.12Å; I41-E45 PolarHBondContact O-N 2.86Å; E42-E45 CarbonylContact O-C 3.58Å; E45-S47 PolarHBondContact O-N 3.29Å; E45-Y81 PolarHBondContact OE2-OH 3.18Å; E45-K85 VanDerWaalsContact CD-CE 3.43Å; E45-K85 WeakPolarHBondContact OE1-CE 3.44Å; E45-K85 IonicContact OE1-NZ 2.57Å; E45-K85 PolarHBondContact OE1-NZ 3.18Å; E45-K85 WeakPolarHBondContact OE2-CE 3.31Å; E45-K85 IonicContact OE2-NZ 2.92Å; E45-K85 PolarHBondContact OE2-NZ 3Å
46P93Very high93.4Very high32 Ų3272.6 Ų72.621%0.20839%0.393CS..  trans-61.8134.2-179.825.8-33.9000110.3E42 D48 L51 G53E42-P46 VanDerWaalsContact O-CA 3.22Å; E42-P46 WeakPolarHBondContact O-CA 3.5Å; P46-D48 PolarHBondContact O-N 3.21Å; P46-L51 HydrophobicContact CB-CB 3.68Å; P46-L51 HydrophobicContact CB-CD1 4.07Å; P46-L51 HydrophobicContact CG-CB 3.74Å; P46-L51 WeakPolarHBondContact CG-O 3.38Å; P46-G53 VanDerWaalsContact CD-CA 3.45Å
47S91Very high93.5Very high123 Ų12372.9 Ų72.986%0.8640%0.395SS*.SBendtrans-69.6-22.6176.1-56.20000112.7E45 P49E45-S47 PolarHBondContact O-N 3.29Å; S47-P49 WeakPolarHBondContact O-CD 3.41Å
48D91.2Very high93.7Very high72 Ų7275.4 Ų75.439%0.38541%0.405SS..SBendtrans-79.7116174-175.5-5.9000110P46 Q50 L51P46-D48 PolarHBondContact O-N 3.21Å; D48-Q50 PolarHBondContact O-N 3.08Å; D48-Q50 WeakPolarHBondContact OD1-CB 3.36Å; D48-Q50 PolarHBondContact OD1-N 2.98Å; D48-L51 HydrophobicContact CB-CD1 4.07Å; D48-L51 HydrophobicContact CB-CG 4.14Å; D48-L51 PolarHBondContact O-N 3.39Å
49P88.3Confident93.9Very high130 Ų13071.5 Ų71.584%0.84439%0.39SS*.THydrogen-bonded Turntrans-60.9-15.6178.6-21.133000114.5S47 L51S47-P49 WeakPolarHBondContact O-CD 3.41Å; P49-L51 VanDerWaalsContact C-N 3.35Å
50Q90.8Very high94Very high172 Ų17270.8 Ų70.880%0.80439%0.39SS*.THydrogen-bonded Turntrans-79.8-17.6177.5-59.9-175.312.600113.1D48D48-Q50 PolarHBondContact O-N 3.08Å; D48-Q50 WeakPolarHBondContact OD1-CB 3.36Å; D48-Q50 PolarHBondContact OD1-N 2.98Å
51L90.3Very high93.9Very high109 Ų10979.2 Ų79.257%0.57144%0.435SS*.SBendtrans-91.5134.4179.6-65.4177.5000110.6P46 D48 P49P46-L51 HydrophobicContact CB-CB 3.68Å; P46-L51 HydrophobicContact CB-CD1 4.07Å; P46-L51 HydrophobicContact CG-CB 3.74Å; P46-L51 WeakPolarHBondContact CG-O 3.38Å; D48-L51 HydrophobicContact CB-CD1 4.07Å; D48-L51 HydrophobicContact CB-CG 4.14Å; D48-L51 PolarHBondContact O-N 3.39Å; P49-L51 VanDerWaalsContact C-N 3.35Å
52V90Very high93.8Very high143 Ų14382.3 Ų82.387%0.86745%0.448SS*.PPolyproline II helixtrans-80.1124.4171.4-177.40000108.2
53G92Very high93.9Very high31 Ų3182.8 Ų82.832%0.3245%0.454SS..PPolyproline II helixtrans-63.4145.9175.400000112.5V44 P46 D55V44-G53 VanDerWaalsContact O-CA 3.24Å; V44-G53 WeakPolarHBondContact O-CA 3.49Å; P46-G53 VanDerWaalsContact CD-CA 3.45Å; G53-D55 PolarHBondContact O-N 3.33Å
54Y94.7Very high94Very high56 Ų5680.9 Ų80.922%0.2244%0.443CS..PPolyproline II helixtrans-68.5126.3178.8-165.7-80.5000111.2I28 L43 V56 Q58 L66I28-Y54 HydrophobicContact CD1-CD1 3.63Å; I28-Y54 HydrophobicContact CD1-CD2 4.31Å; I28-Y54 HydrophobicContact CD1-CE1 4.25Å; I28-Y54 HydrophobicContact CD1-CG 3.66Å; I28-Y54 HydrophobicContact CG2-CD1 4.28Å; I28-Y54 HydrophobicContact CG2-CD2 3.81Å; I28-Y54 HydrophobicContact CG2-CE1 4.01Å; I28-Y54 HydrophobicContact CG2-CE2 3.49Å; I28-Y54 VanDerWaalsContact CG2-CE2 3.49Å; I28-Y54 HydrophobicContact CG2-CG 4.19Å; L43-Y54 WeakPolarHBondContact O-CB 3.49Å; L43-Y54 PolarHBondContact O-N 3.46Å; Y54-V56 PolarHBondContact O-N 3.32Å; Y54-Q58 HydrophobicContact CE1-CB 3.92Å; Y54-L66 HydrophobicContact CD1-CD1 3.9Å; Y54-L66 HydrophobicContact CE1-CD1 3.72Å; Y54-L66 HydrophobicContact CE1-CD2 4.45Å; Y54-L66 HydrophobicContact CE1-CG 4.19Å
55D96.4Very high94.1Very high91 Ų9180.3 Ų80.349%0.48744%0.44SS..  trans-69.7115.5173.1176.98.8000110.1G53 N57 Q58G53-D55 PolarHBondContact O-N 3.33Å; D55-N57 PolarHBondContact O-N 3.25Å; D55-N57 WeakPolarHBondContact OD1-CB 3.49Å; D55-N57 PolarHBondContact OD1-N 2.96Å; D55-Q58 HydrophobicContact CB-CB 4.29Å; D55-Q58 VanDerWaalsContact O-CB 3.24Å; D55-Q58 WeakPolarHBondContact O-CB 3.44Å; D55-Q58 PolarHBondContact O-N 3.28Å
56V97Very high94.2Very high6 Ų676.1 Ų76.14%0.03642%0.421CS..THydrogen-bonded Turntrans-61.3-16.3-179.1-61.90000114V44 Y54 L82 K85 A87V44-V56 HydrophobicContact CG1-CG1 3.74Å; V44-V56 HydrophobicContact CG2-CG1 3.92Å; Y54-V56 PolarHBondContact O-N 3.32Å; V56-L82 HydrophobicContact CB-CD2 4.1Å; V56-L82 HydrophobicContact CG1-CD2 3.76Å; V56-K85 HydrophobicContact CG1-CB 3.88Å; V56-K85 HydrophobicContact CG2-CB 4.05Å; V56-K85 WeakPolarHBondContact CG2-O 3.44Å; V56-A87 HydrophobicContact CB-CB 4.46Å; V56-A87 HydrophobicContact CG2-CB 4.16Å
57N97.4Very high94.5Very high39 Ų3974.6 Ų74.621%0.20941%0.411CS..THydrogen-bonded Turntrans-94.5-4.6176.1-69.3-60000114.3D55 L59 G86 A87 I88D55-N57 PolarHBondContact O-N 3.25Å; D55-N57 WeakPolarHBondContact OD1-CB 3.49Å; D55-N57 PolarHBondContact OD1-N 2.96Å; N57-L59 PolarHBondContact O-N 3.44Å; N57-G86 PolarHBondContact ND2-O 3.27Å; N57-A87 WeakPolarHBondContact OD1-CA 3.42Å; N57-I88 HydrophobicContact CB-CD1 4.49Å; N57-I88 VanDerWaalsContact OD1-CG1 3.31Å; N57-I88 WeakPolarHBondContact OD1-CG1 3.44Å; N57-I88 PolarHBondContact OD1-N 3.45Å
58Q95.9Very high94.9Very high100 Ų10068.8 Ų68.847%0.46737%0.37SS..  trans-63.9128.7174.1-176.7175.1-9.500110.1Y54 D55Y54-Q58 HydrophobicContact CE1-CB 3.92Å; D55-Q58 HydrophobicContact CB-CB 4.29Å; D55-Q58 VanDerWaalsContact O-CB 3.24Å; D55-Q58 WeakPolarHBondContact O-CB 3.44Å; D55-Q58 PolarHBondContact O-N 3.28Å
59L96.6Very high95.2Very high42 Ų4267.2 Ų67.222%0.2236%0.359CS..BIsolated β-bridgetrans-83.1149.3173.1-58-179.1000110.2N57 D63 V64 R91N57-L59 PolarHBondContact O-N 3.44Å; L59-D63 HydrophobicContact CD1-CB 4.31Å; L59-V64 WeakPolarHBondContact CA-O 3.46Å; L59-R91 HydrophobicContact CD2-CG 4.22Å
60D95.6Very high95.7Very high31 Ų3161 Ų6117%0.16632%0.319CS..  trans-80-175.4169.666.917.2000112.3V29 E62 D63 V64 W69V29-D60 HydrophobicContact CG2-CB 4.32Å; D60-E62 PolarHBondContact O-N 3.34Å; D60-E62 VanDerWaalsContact O-N 3.1Å; D60-E62 WeakPolarHBondContact OD1-CA 3.43Å; D60-E62 PolarHBondContact OD1-N 2.88Å; D60-D63 PolarHBondContact O-N 2.97Å; D60-D63 VanDerWaalsContact O-N 3.07Å; D60-D63 PolarHBondContact OD1-N 2.75Å; D60-V64 PolarHBondContact N-O 3.35Å; D60-V64 WeakPolarHBondContact OD1-CA 3.46Å; D60-V64 WeakPolarHBondContact OD1-CB 3.4Å; D60-V64 PolarHBondContact OD1-N 2.82Å; D60-W69 PolarHBondContact OD2-NE1 2.63Å
61D94.8Very high96Very high177 Ų17752.9 Ų52.995%0.94728%0.28SS*.THydrogen-bonded Turntrans-65.6-10.1-177.5-57.7-23.3000113.7
62E93.6Very high96.4Very high130 Ų13049.5 Ų49.561%0.60726%0.263SS*.THydrogen-bonded Turntrans-104.613.7176.4-63-173.7179.600112.5D60 V64 G94D60-E62 PolarHBondContact O-N 3.34Å; D60-E62 VanDerWaalsContact O-N 3.1Å; D60-E62 WeakPolarHBondContact OD1-CA 3.43Å; D60-E62 PolarHBondContact OD1-N 2.88Å; E62-V64 HydrophobicContact CB-CG2 3.94Å; E62-V64 PolarHBondContact O-N 3.29Å; E62-G94 WeakPolarHBondContact O-CA 3.37Å
63D96.2Very high96.7Very high106 Ų10645.6 Ų45.657%0.56724%0.237SC*.SBendtrans60.130-172.6-64.2-52.5000113L59 D60 G93 G94L59-D63 HydrophobicContact CD1-CB 4.31Å; D60-D63 PolarHBondContact O-N 2.97Å; D60-D63 VanDerWaalsContact O-N 3.07Å; D60-D63 PolarHBondContact OD1-N 2.75Å; D63-G93 CarbonylContact O-C 3.56Å; D63-G93 WeakPolarHBondContact O-CA 2.94Å; D63-G94 PolarHBondContact O-N 2.88Å
64V98Very high96.8Very high2 Ų246.6 Ų46.61%0.01224%0.235CC..  trans-105.1132.9-178-176.30000110.4L59 D60 E62 H68 W69 W103L59-V64 WeakPolarHBondContact CA-O 3.46Å; D60-V64 PolarHBondContact N-O 3.35Å; D60-V64 WeakPolarHBondContact OD1-CA 3.46Å; D60-V64 WeakPolarHBondContact OD1-CB 3.4Å; D60-V64 PolarHBondContact OD1-N 2.82Å; E62-V64 HydrophobicContact CB-CG2 3.94Å; E62-V64 PolarHBondContact O-N 3.29Å; V64-H68 HydrophobicContact CG1-CB 3.47Å; V64-H68 VanDerWaalsContact CG1-CB 3.47Å; V64-W69 HydrophobicContact CB-CZ2 4.46Å; V64-W69 HydrophobicContact CG1-CD2 4.22Å; V64-W69 HydrophobicContact CG1-CG 4.27Å; V64-W69 HydrophobicContact CG1-CZ2 4.22Å; V64-W103 HydrophobicContact CB-CH2 4.35Å; V64-W103 HydrophobicContact CG1-CH2 3.63Å; V64-W103 HydrophobicContact CG1-CZ2 4.27Å; V64-W103 HydrophobicContact CG1-CZ3 3.88Å; V64-W103 HydrophobicContact CG2-CH2 3.66Å; V64-W103 HydrophobicContact CG2-CZ2 4.08Å
65S97.9Very high96.9Very high4 Ų448 Ų483%0.02824%0.24CC..BIsolated β-bridgetrans-85.9158.5176.483.10000112.3L67 H68 W69S65-L67 PolarHBondContact O-N 3.43Å; S65-L67 VanDerWaalsContact O-N 3.14Å; S65-L67 PolarHBondContact OG-N 3.3Å; S65-H68 PolarHBondContact N-ND1 3.23Å; S65-H68 WeakPolarHBondContact O-CB 3.42Å; S65-H68 PolarHBondContact O-N 3.36Å; S65-H68 PolarHBondContact OG-N 3.5Å; S65-H68 PolarHBondContact OG-ND1 2.65Å; S65-W69 PolarHBondContact O-N 3.41Å
66L98.5Very high96.7Very high2 Ų244.2 Ų44.21%0.0122%0.219CC..Hα-helixtrans-55.9-32.8174.3-60.8-177.1000112.8I28 V29 V32 Y54 H68 W69 A70 L82I28-L66 HydrophobicContact CD1-CD1 3.53Å; I28-L66 HydrophobicContact CG1-CD1 3.89Å; I28-L66 HydrophobicContact CG1-CD2 4.18Å; I28-L66 HydrophobicContact CG2-CD2 4.01Å; V29-L66 HydrophobicContact CG2-CD2 3.98Å; V32-L66 HydrophobicContact CG2-CB 4.46Å; V32-L66 HydrophobicContact CG2-CD2 4.23Å; Y54-L66 HydrophobicContact CD1-CD1 3.9Å; Y54-L66 HydrophobicContact CE1-CD1 3.72Å; Y54-L66 HydrophobicContact CE1-CD2 4.45Å; Y54-L66 HydrophobicContact CE1-CG 4.19Å; L66-H68 VanDerWaalsContact C-N 3.35Å; L66-H68 PolarHBondContact O-N 2.89Å; L66-W69 PolarHBondContact O-N 3.01Å; L66-A70 WeakPolarHBondContact O-CB 3.22Å; L66-A70 PolarHBondContact O-N 3.35Å; L66-L82 HydrophobicContact CB-CD1 3.71Å; L66-L82 HydrophobicContact CB-CD2 4.11Å; L66-L82 HydrophobicContact CD1-CD2 3.96Å
67L98.6Very high96.6Very high1 Ų144.5 Ų44.51%0.00522%0.222CC..Hα-helixtrans-67.9-33.2178.3-172.259000112.2S65 A70 A71 A79 L83 A87 P100 L116S65-L67 PolarHBondContact O-N 3.43Å; S65-L67 VanDerWaalsContact O-N 3.14Å; S65-L67 PolarHBondContact OG-N 3.3Å; L67-A70 PolarHBondContact O-N 3.33Å; L67-A71 VanDerWaalsContact O-CB 3.22Å; L67-A71 WeakPolarHBondContact O-CB 3.3Å; L67-A71 PolarHBondContact O-N 3.21Å; L67-A79 HydrophobicContact CD1-CB 3.97Å; L67-L83 HydrophobicContact CD1-CG 4.35Å; L67-L83 HydrophobicContact CD2-CD2 3.75Å; L67-L83 HydrophobicContact CD2-CG 4.37Å; L67-A87 HydrophobicContact CD2-CB 4.42Å; L67-P100 HydrophobicContact CB-CG 4.13Å; L67-P100 HydrophobicContact CD2-CB 4.35Å; L67-P100 HydrophobicContact CD2-CG 3.96Å; L67-P100 HydrophobicContact CG-CB 3.94Å; L67-P100 HydrophobicContact CG-CG 3.81Å; L67-L116 HydrophobicContact CD1-CD2 4.25Å; L67-L116 HydrophobicContact CD2-CD2 4.46Å
68H98.6Very high96.6Very high0 Ų042.8 Ų42.80%021%0.213CC..Hα-helixtrans-63.6-46.6172.1-68.291000111.6V64 S65 L66 A70 A71 I72 R91 A98 P100 W103V64-H68 HydrophobicContact CG1-CB 3.47Å; V64-H68 VanDerWaalsContact CG1-CB 3.47Å; S65-H68 PolarHBondContact N-ND1 3.23Å; S65-H68 WeakPolarHBondContact O-CB 3.42Å; S65-H68 PolarHBondContact O-N 3.36Å; S65-H68 PolarHBondContact OG-N 3.5Å; S65-H68 PolarHBondContact OG-ND1 2.65Å; L66-H68 VanDerWaalsContact C-N 3.35Å; L66-H68 PolarHBondContact O-N 2.89Å; H68-A70 VanDerWaalsContact C-N 3.32Å; H68-A70 PolarHBondContact O-N 3.11Å; H68-A71 PolarHBondContact O-N 3.14Å; H68-A71 VanDerWaalsContact O-N 3.15Å; H68-I72 WeakPolarHBondContact O-CG2 3.44Å; H68-I72 PolarHBondContact O-N 3.39Å; H68-R91 PolarHBondContact CE1-O 2.93Å; H68-R91 PolarHBondContact NE2-O 3.45Å; H68-R91 VanDerWaalsContact NE2-O 3.07Å; H68-A98 PolarHBondContact NE2-O 2.88Å; H68-P100 WeakPolarHBondContact NE2-CD 3.29Å; H68-W103 HydrophobicContact CB-CD2 4.04Å; H68-W103 HydrophobicContact CB-CE3 3.82Å; H68-W103 HydrophobicContact CB-CZ3 4.11Å; H68-W103 AromaticContact CD2-CD1 3.76Å; H68-W103 AromaticContact CD2-CD2 3.92Å; H68-W103 AromaticContact CD2-CE2 3.8Å; H68-W103 AromaticContact CD2-CG 3.96Å; H68-W103 AromaticContact CD2-NE1 3.63Å
69W98.2Very high96.7Very high40 Ų4038 Ų3815%0.15219%0.191CC..Hα-helixtrans-62.4-39.3177.4-71.7118.8000112.3V29 V32 Q33 D60 V64 S65 L66 I72 N73 W103V29-W69 HydrophobicContact CG1-CD2 4.19Å; V29-W69 HydrophobicContact CG1-CG 4.1Å; V29-W69 HydrophobicContact CG1-CZ2 4.49Å; V32-W69 HydrophobicContact CG1-CB 3.74Å; Q33-W69 HydrophobicContact CG-CB 4.26Å; Q33-W69 HydrophobicContact CG-CD2 4.02Å; Q33-W69 HydrophobicContact CG-CE3 3.71Å; Q33-W69 HydrophobicContact CG-CG 4.29Å; Q33-W69 HydrophobicContact CG-CZ3 4.39Å; D60-W69 PolarHBondContact OD2-NE1 2.63Å; V64-W69 HydrophobicContact CB-CZ2 4.46Å; V64-W69 HydrophobicContact CG1-CD2 4.22Å; V64-W69 HydrophobicContact CG1-CG 4.27Å; V64-W69 HydrophobicContact CG1-CZ2 4.22Å; S65-W69 PolarHBondContact O-N 3.41Å; L66-W69 PolarHBondContact O-N 3.01Å; W69-I72 HydrophobicContact CE3-CG2 4.16Å; W69-N73 WeakPolarHBondContact O-CB 3.32Å; W69-N73 PolarHBondContact O-N 3.21Å; W69-N73 PolarHBondContact O-ND2 2.73Å; W69-W103 HydrophobicContact CE3-CZ3 4.45Å; W69-W103 HydrophobicContact CZ3-CZ3 4.42Å
70A98.2Very high96.6Very high0 Ų039.5 Ų39.50%020%0.197CC..Hα-helixtrans-64.5-42.6173.400000111.3V32 L66 L67 H68 N74 R75 I78 A79 L82 M112V32-A70 HydrophobicContact CG1-CB 3.91Å; L66-A70 WeakPolarHBondContact O-CB 3.22Å; L66-A70 PolarHBondContact O-N 3.35Å; L67-A70 PolarHBondContact O-N 3.33Å; H68-A70 VanDerWaalsContact C-N 3.32Å; H68-A70 PolarHBondContact O-N 3.11Å; A70-N74 PolarHBondContact O-N 3.14Å; A70-R75 HydrophobicContact CB-CB 4.31Å; A70-R75 PolarHBondContact O-N 2.03Å; A70-I78 HydrophobicContact CB-CG2 4.2Å; A70-A79 HydrophobicContact CB-CB 4.13Å; A70-L82 HydrophobicContact CB-CD1 4.17Å; A70-M112 WeakPolarHBondContact O-CE 3.32Å
71A98.2Very high96.7Very high0 Ų039 Ų390%019%0.193CC..Hα-helixtrans-67.1-49.3-176.900000113.2L67 H68 N73 N74 P100 A104 M112 L116L67-A71 VanDerWaalsContact O-CB 3.22Å; L67-A71 WeakPolarHBondContact O-CB 3.3Å; L67-A71 PolarHBondContact O-N 3.21Å; H68-A71 PolarHBondContact O-N 3.14Å; H68-A71 VanDerWaalsContact O-N 3.15Å; A71-N73 PolarHBondContact O-N 3.06Å; A71-N74 PolarHBondContact O-N 3.29Å; A71-N74 VanDerWaalsContact O-N 3.16Å; A71-P100 HydrophobicContact CB-CB 3.91Å; A71-P100 WeakPolarHBondContact CB-O 3.3Å; A71-A104 HydrophobicContact CB-CB 4.31Å; A71-M112 HydrophobicContact CB-CG 4.06Å; A71-M112 HydrophobicContact CB-SD 4.38Å; A71-L116 HydrophobicContact CB-CD1 4.13Å
72I97.3Very high96.9Very high39 Ų3930.6 Ų30.620%0.215%0.148CC..Hα-helixtrans-66.8-22.1-179.4-160.2171.1000113.3H68 W69 W103 Q107 H109H68-I72 WeakPolarHBondContact O-CG2 3.44Å; H68-I72 PolarHBondContact O-N 3.39Å; W69-I72 HydrophobicContact CE3-CG2 4.16Å; I72-W103 HydrophobicContact CB-CB 4.19Å; I72-W103 HydrophobicContact CB-CE3 3.78Å; I72-W103 HydrophobicContact CD1-CD2 4.26Å; I72-W103 HydrophobicContact CD1-CE3 3.56Å; I72-W103 HydrophobicContact CD1-CZ3 4Å; I72-W103 HydrophobicContact CG1-CE3 4.18Å; I72-W103 HydrophobicContact CG2-CE3 3.91Å; I72-W103 HydrophobicContact CG2-CZ3 4.32Å; I72-Q107 HydrophobicContact CB-CG 4.5Å; I72-Q107 HydrophobicContact CD1-CG 4.27Å; I72-Q107 HydrophobicContact CG1-CG 3.39Å; I72-H109 PolarHBondContact O-CD2 3.45Å; I72-H109 PolarHBondContact O-NE2 2.98Å; I72-H109 VanDerWaalsContact O-NE2 3.11Å
73N96.1Very high97.1Very high61 Ų6125.9 Ų25.933%0.32613%0.127SC..THydrogen-bonded Turntrans-103.39.8177.3-69-78.2000113.1W69 A71 R75W69-N73 WeakPolarHBondContact O-CB 3.32Å; W69-N73 PolarHBondContact O-N 3.21Å; W69-N73 PolarHBondContact O-ND2 2.73Å; A71-N73 PolarHBondContact O-N 3.06Å; N73-R75 VanDerWaalsContact C-N 3.27Å; N73-R75 HydrophobicContact CB-CG 3.84Å; N73-R75 WeakPolarHBondContact O-CD 3.07Å; N73-R75 PolarHBondContact O-N 3.26Å
74N95.1Very high97.1Very high52 Ų5224.6 Ų24.628%0.27813%0.126SC..THydrogen-bonded Turntrans52.437.6-178.7-159.125.9000114.6A70 A71 L76 H109 S111 M112A70-N74 PolarHBondContact O-N 3.14Å; A71-N74 PolarHBondContact O-N 3.29Å; A71-N74 VanDerWaalsContact O-N 3.16Å; N74-L76 VanDerWaalsContact C-N 3.33Å; N74-L76 PolarHBondContact O-N 3.44Å; N74-H109 HydrophobicContact CB-CB 4.23Å; N74-S111 PolarHBondContact ND2-OG 2.88Å; N74-S111 VanDerWaalsContact ND2-OG 3.14Å; N74-S111 PolarHBondContact OD1-OG 3.25Å; N74-M112 WeakPolarHBondContact OD1-CB 3.44Å
75R95.9Very high97.1Very high85 Ų8528.2 Ų28.232%0.32114%0.142SC..  trans-84.871.2-178.4-54.6-59.1-171.1-179.4-4111.2V32 Q33 Y34 A70 N73 A77 I78 A79V32-R75 WeakPolarHBondContact O-CG 3.45Å; Q33-R75 VanDerWaalsContact O-CZ 3.28Å; Q33-R75 PolarHBondContact O-NE 3.25Å; Q33-R75 PolarHBondContact O-NH2 3Å; Y34-R75 VanDerWaalsContact C-NH2 3.3Å; Y34-R75 PolarHBondContact O-NH2 3.21Å; A70-R75 HydrophobicContact CB-CB 4.31Å; A70-R75 PolarHBondContact O-N 2.03Å; N73-R75 VanDerWaalsContact C-N 3.27Å; N73-R75 HydrophobicContact CB-CG 3.84Å; N73-R75 WeakPolarHBondContact O-CD 3.07Å; N73-R75 PolarHBondContact O-N 3.26Å; R75-A77 PolarHBondContact O-N 2.91Å; R75-I78 HydrophobicContact CB-CB 4.06Å; R75-I78 HydrophobicContact CB-CD1 4.28Å; R75-I78 HydrophobicContact CB-CG1 4.4Å; R75-I78 PolarHBondContact O-N 3.05Å; R75-I78 VanDerWaalsContact O-N 3.12Å; R75-A79 PolarHBondContact O-N 3.27Å
76L93.9Very high97.1Very high11 Ų1130.2 Ų30.26%0.05816%0.163CC..Hα-helixtrans-52.8-46.6-174.2-70.8168.2000113.8N74 I78 A79 H80 M112 F115 N433 T436 L437N74-L76 VanDerWaalsContact C-N 3.33Å; N74-L76 PolarHBondContact O-N 3.44Å; L76-I78 VanDerWaalsContact C-N 3.32Å; L76-I78 PolarHBondContact O-N 3Å; L76-A79 PolarHBondContact O-N 3.18Å; L76-H80 WeakPolarHBondContact O-CB 3.27Å; L76-H80 PolarHBondContact O-N 3.17Å; L76-M112 HydrophobicContact CD2-CB 4.47Å; L76-M112 HydrophobicContact CD2-CE 3.98Å; L76-M112 HydrophobicContact CD2-SD 4.28Å; L76-M112 HydrophobicContact CG-CE 4.32Å; L76-F115 HydrophobicContact CD2-CB 3.79Å; L76-F115 HydrophobicContact CD2-CD1 4.43Å; L76-F115 HydrophobicContact CD2-CG 4.1Å; L76-N433 WeakPolarHBondContact CD1-OD1 3.46Å; L76-T436 WeakPolarHBondContact CD1-OG1 3.1Å; L76-L437 HydrophobicContact CB-CD2 4.46Å
77A94.2Very high97.1Very high12 Ų1230.6 Ų30.610%0.09917%0.166CC..Hα-helixtrans-63.5-38.4-179.300000112.4I37 R75 Y81 L437 N440I37-A77 HydrophobicContact CD1-CB 3.79Å; R75-A77 PolarHBondContact O-N 2.91Å; A77-Y81 PolarHBondContact O-N 2.89Å; A77-L437 HydrophobicContact CB-CD2 3.88Å; A77-N440 HydrophobicContact CB-CB 4.35Å
78I96.9Very high97.1Very high3 Ų334 Ų342%0.01518%0.184CC..Hα-helixtrans-72.7-44.1177-63.9-179.2000110.5V32 I37 V40 A70 R75 L76 H80 Y81 L82V32-I78 HydrophobicContact CG1-CG2 4.11Å; V32-I78 HydrophobicContact CG2-CG2 4.03Å; I37-I78 HydrophobicContact CB-CG1 4.06Å; I37-I78 HydrophobicContact CG1-CG1 4.19Å; V40-I78 HydrophobicContact CG1-CG2 4.38Å; V40-I78 HydrophobicContact CG2-CD1 4.09Å; A70-I78 HydrophobicContact CB-CG2 4.2Å; R75-I78 HydrophobicContact CB-CB 4.06Å; R75-I78 HydrophobicContact CB-CD1 4.28Å; R75-I78 HydrophobicContact CB-CG1 4.4Å; R75-I78 PolarHBondContact O-N 3.05Å; R75-I78 VanDerWaalsContact O-N 3.12Å; L76-I78 VanDerWaalsContact C-N 3.32Å; L76-I78 PolarHBondContact O-N 3Å; I78-H80 VanDerWaalsContact C-N 3.27Å; I78-H80 PolarHBondContact O-N 3.18Å; I78-Y81 PolarHBondContact O-N 3.48Å; I78-Y81 VanDerWaalsContact O-N 3.12Å; I78-L82 HydrophobicContact CG2-CD1 3.82Å; I78-L82 HydrophobicContact CG2-CG 4.04Å; I78-L82 VanDerWaalsContact O-CG 3.29Å; I78-L82 WeakPolarHBondContact O-CG 3.02Å; I78-L82 PolarHBondContact O-N 3.09Å
79A97.7Very high97Very high0 Ų035.5 Ų35.50%019%0.191CC..Hα-helixtrans-58.6-41.1175.700000111.5L67 A70 R75 L76 L82 L83 M112 F115L67-A79 HydrophobicContact CD1-CB 3.97Å; A70-A79 HydrophobicContact CB-CB 4.13Å; R75-A79 PolarHBondContact O-N 3.27Å; L76-A79 PolarHBondContact O-N 3.18Å; A79-L82 PolarHBondContact O-N 2.95Å; A79-L83 WeakPolarHBondContact O-CG 3.49Å; A79-L83 PolarHBondContact O-N 2.98Å; A79-M112 HydrophobicContact CB-CE 3.89Å; A79-M112 HydrophobicContact CB-SD 3.92Å; A79-F115 HydrophobicContact CB-CD1 4.15Å; A79-F115 HydrophobicContact CB-CE1 3.69Å
80H96Very high97.1Very high73 Ų7335.2 Ų35.234%0.33819%0.193SC..Hα-helixtrans-59.3-46.9172.4-175.6-76.7000112.7L76 I78 S84 F115 R119L76-H80 WeakPolarHBondContact O-CB 3.27Å; L76-H80 PolarHBondContact O-N 3.17Å; I78-H80 VanDerWaalsContact C-N 3.27Å; I78-H80 PolarHBondContact O-N 3.18Å; H80-S84 PolarHBondContact O-N 3.02Å; H80-S84 VanDerWaalsContact O-N 3.12Å; H80-F115 HydrophobicContact CB-CE2 4.2Å; H80-F115 HydrophobicContact CB-CZ 3.89Å; H80-F115 AromaticContact CD2-CE2 3.97Å; H80-R119 PolarHBondContact CD2-NH2 2.97Å; H80-R119 PolarHBondContact NE2-NH2 2.87Å
81Y96.8Very high97Very high21 Ų2139 Ų398%0.08221%0.207CC..Hα-helixtrans-62.6-48.2176175.4-102.3000112.4V40 I41 V44 E45 A77 I78 L83 S84 K85V40-Y81 HydrophobicContact CG1-CD1 4.13Å; V40-Y81 HydrophobicContact CG1-CE1 4.15Å; I41-Y81 HydrophobicContact CB-CE2 4.5Å; I41-Y81 HydrophobicContact CD1-CD2 4.47Å; I41-Y81 HydrophobicContact CD1-CE2 4.44Å; I41-Y81 HydrophobicContact CG1-CD1 4.35Å; I41-Y81 HydrophobicContact CG1-CD2 3.98Å; I41-Y81 HydrophobicContact CG1-CE1 4.07Å; I41-Y81 HydrophobicContact CG1-CE2 3.68Å; I41-Y81 HydrophobicContact CG1-CG 4.3Å; I41-Y81 HydrophobicContact CG2-CE2 4.48Å; V44-Y81 HydrophobicContact CB-CE1 4.04Å; V44-Y81 WeakPolarHBondContact CB-OH 2.99Å; V44-Y81 HydrophobicContact CG1-CE1 4.18Å; V44-Y81 WeakPolarHBondContact CG1-OH 3.44Å; V44-Y81 HydrophobicContact CG2-CE1 4.1Å; E45-Y81 PolarHBondContact OE2-OH 3.18Å; A77-Y81 PolarHBondContact O-N 2.89Å; I78-Y81 PolarHBondContact O-N 3.48Å; I78-Y81 VanDerWaalsContact O-N 3.12Å; Y81-L83 VanDerWaalsContact C-N 3.34Å; Y81-L83 PolarHBondContact O-N 3.35Å; Y81-S84 PolarHBondContact O-N 2.86Å; Y81-S84 VanDerWaalsContact O-N 3.1Å; Y81-S84 PolarHBondContact O-OG 3.43Å; Y81-K85 HydrophobicContact CE1-CG 4.12Å; Y81-K85 HydrophobicContact CE2-CD 4.33Å; Y81-K85 HydrophobicContact CE2-CG 4.05Å; Y81-K85 WeakPolarHBondContact O-CG 3.35Å; Y81-K85 PolarHBondContact O-N 2.9Å; Y81-K85 VanDerWaalsContact O-N 3.13Å
82L98.3Very high97Very high0 Ų041.6 Ų41.60%022%0.224CC..Hα-helixtrans-60.2-43-178.8-68.1174.1000111.9V40 V56 L66 A70 I78 A79 S84 K85 G86 A87V40-L82 HydrophobicContact CG1-CD2 4.48Å; V56-L82 HydrophobicContact CB-CD2 4.1Å; V56-L82 HydrophobicContact CG1-CD2 3.76Å; L66-L82 HydrophobicContact CB-CD1 3.71Å; L66-L82 HydrophobicContact CB-CD2 4.11Å; L66-L82 HydrophobicContact CD1-CD2 3.96Å; A70-L82 HydrophobicContact CB-CD1 4.17Å; I78-L82 HydrophobicContact CG2-CD1 3.82Å; I78-L82 HydrophobicContact CG2-CG 4.04Å; I78-L82 VanDerWaalsContact O-CG 3.29Å; I78-L82 WeakPolarHBondContact O-CG 3.02Å; I78-L82 PolarHBondContact O-N 3.09Å; A79-L82 PolarHBondContact O-N 2.95Å; L82-S84 VanDerWaalsContact C-N 3.34Å; L82-S84 PolarHBondContact O-N 3.43Å; L82-K85 CarbonylContact O-C 3.43Å; L82-K85 PolarHBondContact O-N 3.39Å; L82-K85 VanDerWaalsContact O-N 3.16Å; L82-G86 PolarHBondContact O-N 3.44Å; L82-A87 HydrophobicContact CB-CB 3.98Å; L82-A87 WeakPolarHBondContact O-CB 3.28Å; L82-A87 PolarHBondContact O-N 3.02Å
83L98.1Very high96.9Very high32 Ų3239.9 Ų39.917%0.16822%0.215CC..Hα-helixtrans-65.7-35.3175.8-71.7175.4000112.4L67 A79 Y81 K85 G86 A87 I89 F115 R119L67-L83 HydrophobicContact CD1-CG 4.35Å; L67-L83 HydrophobicContact CD2-CD2 3.75Å; L67-L83 HydrophobicContact CD2-CG 4.37Å; A79-L83 WeakPolarHBondContact O-CG 3.49Å; A79-L83 PolarHBondContact O-N 2.98Å; Y81-L83 VanDerWaalsContact C-N 3.34Å; Y81-L83 PolarHBondContact O-N 3.35Å; L83-K85 PolarHBondContact O-N 3.34Å; L83-G86 PolarHBondContact O-N 2.86Å; L83-A87 HydrophobicContact CD2-CB 4.45Å; L83-A87 WeakPolarHBondContact CD2-O 3.41Å; L83-I89 HydrophobicContact CD2-CB 4.13Å; L83-I89 HydrophobicContact CD2-CD1 4.42Å; L83-I89 HydrophobicContact CD2-CG1 4.28Å; L83-F115 HydrophobicContact CD1-CE1 3.65Å; L83-F115 HydrophobicContact CD1-CZ 3.8Å; L83-R119 HydrophobicContact CD1-CB 3.82Å; L83-R119 HydrophobicContact CD1-CG 3.74Å
84S97.1Very high96.9Very high79 Ų7937.6 Ų37.655%0.55221%0.206SC*.Hα-helixtrans-68.3-19.817581.50000113.2H80 Y81 L82H80-S84 PolarHBondContact O-N 3.02Å; H80-S84 VanDerWaalsContact O-N 3.12Å; Y81-S84 PolarHBondContact O-N 2.86Å; Y81-S84 VanDerWaalsContact O-N 3.1Å; Y81-S84 PolarHBondContact O-OG 3.43Å; L82-S84 VanDerWaalsContact C-N 3.34Å; L82-S84 PolarHBondContact O-N 3.43Å
85K97.5Very high96.9Very high78 Ų7843 Ų4334%0.33923%0.23SC..THydrogen-bonded Turntrans-93.58.2171.4-58.5-56.2176.3-177.60114V44 E45 V56 Y81 L82 L83V44-K85 HydrophobicContact CG1-CG 4.29Å; E45-K85 VanDerWaalsContact CD-CE 3.43Å; E45-K85 WeakPolarHBondContact OE1-CE 3.44Å; E45-K85 IonicContact OE1-NZ 2.57Å; E45-K85 PolarHBondContact OE1-NZ 3.18Å; E45-K85 WeakPolarHBondContact OE2-CE 3.31Å; E45-K85 IonicContact OE2-NZ 2.92Å; E45-K85 PolarHBondContact OE2-NZ 3Å; V56-K85 HydrophobicContact CG1-CB 3.88Å; V56-K85 HydrophobicContact CG2-CB 4.05Å; V56-K85 WeakPolarHBondContact CG2-O 3.44Å; Y81-K85 HydrophobicContact CE1-CG 4.12Å; Y81-K85 HydrophobicContact CE2-CD 4.33Å; Y81-K85 HydrophobicContact CE2-CG 4.05Å; Y81-K85 WeakPolarHBondContact O-CG 3.35Å; Y81-K85 PolarHBondContact O-N 2.9Å; Y81-K85 VanDerWaalsContact O-N 3.13Å; L82-K85 CarbonylContact O-C 3.43Å; L82-K85 PolarHBondContact O-N 3.39Å; L82-K85 VanDerWaalsContact O-N 3.16Å; L83-K85 PolarHBondContact O-N 3.34Å
86G97.2Very high96.8Very high46 Ų4640.9 Ų40.947%0.47422%0.224SC..THydrogen-bonded Turntrans85.324.9174.400000114.9N57 L82 L83 I88N57-G86 PolarHBondContact ND2-O 3.27Å; L82-G86 PolarHBondContact O-N 3.44Å; L83-G86 PolarHBondContact O-N 2.86Å; G86-I88 PolarHBondContact O-N 2.86Å
87A98.3Very high96.9Very high9 Ų941.3 Ų41.37%0.07423%0.23CC..  trans-57.7133168.800000111V56 N57 L67 L82 L83 I89V56-A87 HydrophobicContact CB-CB 4.46Å; V56-A87 HydrophobicContact CG2-CB 4.16Å; N57-A87 WeakPolarHBondContact OD1-CA 3.42Å; L67-A87 HydrophobicContact CD2-CB 4.42Å; L82-A87 HydrophobicContact CB-CB 3.98Å; L82-A87 WeakPolarHBondContact O-CB 3.28Å; L82-A87 PolarHBondContact O-N 3.02Å; L83-A87 HydrophobicContact CD2-CB 4.45Å; L83-A87 WeakPolarHBondContact CD2-O 3.41Å; A87-I89 PolarHBondContact O-N 3.2Å
88I98.4Very high97.1Very high74 Ų7440.8 Ų40.838%0.37923%0.225SC..  trans-70117.9178.8-63.3158.6000109.1N57 G86 R91N57-I88 HydrophobicContact CB-CD1 4.49Å; N57-I88 VanDerWaalsContact OD1-CG1 3.31Å; N57-I88 WeakPolarHBondContact OD1-CG1 3.44Å; N57-I88 PolarHBondContact OD1-N 3.45Å; G86-I88 PolarHBondContact O-N 2.86Å; I88-R91 HydrophobicContact CB-CB 4.09Å; I88-R91 HydrophobicContact CG2-CB 4.01Å; I88-R91 WeakPolarHBondContact O-CB 3.39Å; I88-R91 PolarHBondContact O-N 2.82Å
89I98.4Very high97.2Very high31 Ų3140.6 Ų40.616%0.15922%0.224CC..THydrogen-bonded Turntrans-66.6-44-171.2-167161.7000113.8L83 A87 P100 L116 R119 A121L83-I89 HydrophobicContact CD2-CB 4.13Å; L83-I89 HydrophobicContact CD2-CD1 4.42Å; L83-I89 HydrophobicContact CD2-CG1 4.28Å; A87-I89 PolarHBondContact O-N 3.2Å; I89-P100 VanDerWaalsContact O-CD 3.29Å; I89-P100 WeakPolarHBondContact O-CD 3.47Å; I89-P100 WeakPolarHBondContact O-CG 3.3Å; I89-L116 WeakPolarHBondContact CD1-O 3.48Å; I89-R119 HydrophobicContact CD1-CB 3.51Å; I89-R119 WeakPolarHBondContact CD1-O 3.32Å; I89-A121 HydrophobicContact CD1-CB 3.87Å; I89-A121 HydrophobicContact CG1-CB 3.83Å
90D98.2Very high97.2Very high34 Ų3440.6 Ų40.618%0.18222%0.224CC..THydrogen-bonded Turntrans-10338.9178.6-67.8-46.7000111.5P92 T99 D122D90-P92 VanDerWaalsContact O-CD 3.28Å; D90-P92 WeakPolarHBondContact O-CD 3.43Å; D90-T99 HydrophobicContact CB-CG2 4.17Å; D90-D122 PolarHBondContact OD1-N 3.05Å; D90-D122 PolarHBondContact OD2-N 3.22Å
91R97.9Very high97.3Very high79 Ų7937.1 Ų37.130%0.29821%0.208SC..  trans-63.8123.6175.4-174.267.5-179.9-157.5-1.7108.7L59 H68 I88 P100L59-R91 HydrophobicContact CD2-CG 4.22Å; H68-R91 PolarHBondContact CE1-O 2.93Å; H68-R91 PolarHBondContact NE2-O 3.45Å; H68-R91 VanDerWaalsContact NE2-O 3.07Å; I88-R91 HydrophobicContact CB-CB 4.09Å; I88-R91 HydrophobicContact CG2-CB 4.01Å; I88-R91 WeakPolarHBondContact O-CB 3.39Å; I88-R91 PolarHBondContact O-N 2.82Å; R91-P100 WeakPolarHBondContact O-CD 3.37Å
92P97.4Very high97.4Very high54 Ų5436.1 Ų36.135%0.35120%0.204SC..  trans-70.4135.2169.2-15.731.6000109.2D90 A97 F125D90-P92 VanDerWaalsContact O-CD 3.28Å; D90-P92 WeakPolarHBondContact O-CD 3.43Å; P92-A97 HydrophobicContact CB-CB 4.04Å; P92-F125 HydrophobicContact CB-CZ 4.31Å; P92-F125 HydrophobicContact CG-CE1 4.33Å; P92-F125 HydrophobicContact CG-CE2 4.31Å; P92-F125 HydrophobicContact CG-CZ 3.65Å
93G95.9Very high97.4Very high3 Ų337.8 Ų37.83%0.03121%0.211CC..BIsolated β-bridgetrans-149.5161177.600000114.8D63 A97 A98D63-G93 CarbonylContact O-C 3.56Å; D63-G93 WeakPolarHBondContact O-CA 2.94Å; G93-A97 WeakPolarHBondContact O-CA 3.32Å; G93-A97 PolarHBondContact O-N 3.41Å; G93-A98 PolarHBondContact N-O 3.49Å; G93-A98 PolarHBondContact O-N 2.92Å; G93-A98 VanDerWaalsContact O-N 3.1Å
94G94.9Very high97.4Very high13 Ų1336.2 Ų36.213%0.13420%0.203CC..THydrogen-bonded Turntrans66.5-178.1-17700000114.3E62 D63 L96 A97E62-G94 WeakPolarHBondContact O-CA 3.37Å; D63-G94 PolarHBondContact O-N 2.88Å; G94-L96 PolarHBondContact O-N 3.07Å; G94-L96 VanDerWaalsContact O-N 3.08Å; G94-A97 PolarHBondContact O-N 3.35Å
95H94.9Very high97.4Very high167 Ų16732.5 Ų32.577%0.77318%0.176SC*.THydrogen-bonded Turntrans-57.2-26.3-177.567.8-72.5000115.4
96L94.3Very high97.4Very high39 Ų3931.8 Ų31.820%0.20417%0.171CC..THydrogen-bonded Turntrans-89.3-4.2177.3-57.8-179.6000113.1G94 A98 D127 N128 T129G94-L96 PolarHBondContact O-N 3.07Å; G94-L96 VanDerWaalsContact O-N 3.08Å; L96-A98 HydrophobicContact CB-CB 4.1Å; L96-A98 PolarHBondContact O-N 3.32Å; L96-D127 HydrophobicContact CB-CB 4.46Å; L96-D127 WeakPolarHBondContact O-CB 3.32Å; L96-N128 VanDerWaalsContact O-CB 3.3Å; L96-N128 WeakPolarHBondContact O-CB 3.3Å; L96-N128 PolarHBondContact O-N 3.34Å; L96-T129 HydrophobicContact CD2-CG2 3.88Å
97A96.8Very high97.3Very high21 Ų2134.2 Ų34.217%0.17417%0.17CC..THydrogen-bonded Turntrans46.241.4-167.700000112.3P92 G93 G94 N128P92-A97 HydrophobicContact CB-CB 4.04Å; G93-A97 WeakPolarHBondContact O-CA 3.32Å; G93-A97 PolarHBondContact O-N 3.41Å; G94-A97 PolarHBondContact O-N 3.35Å; A97-N128 VanDerWaalsContact CB-ND2 3.31Å; A97-N128 WeakPolarHBondContact CB-ND2 3.29Å; A97-N128 WeakPolarHBondContact CB-OD1 3.21Å
98A97.8Very high97.1Very high0 Ų036.2 Ų36.20%018%0.184CC..BIsolated β-bridgetrans-89.2150.9-176.700000109.8H68 G93 L96 H102 D127H68-A98 PolarHBondContact NE2-O 2.88Å; G93-A98 PolarHBondContact N-O 3.49Å; G93-A98 PolarHBondContact O-N 2.92Å; G93-A98 VanDerWaalsContact O-N 3.1Å; L96-A98 HydrophobicContact CB-CB 4.1Å; L96-A98 PolarHBondContact O-N 3.32Å; A98-H102 HydrophobicContact CB-CB 3.84Å; A98-D127 HydrophobicContact CB-CB 3.88Å
99T98.4Very high96.9Very high0 Ų035 Ų350%018%0.177CC..  trans-80.3165.7178.770.10000112.3D90 L101 H102 W103 F125D90-T99 HydrophobicContact CB-CG2 4.17Å; T99-L101 PolarHBondContact O-N 3.1Å; T99-L101 PolarHBondContact OG1-N 3.3Å; T99-H102 PolarHBondContact N-ND1 3.46Å; T99-H102 WeakPolarHBondContact O-CB 3.43Å; T99-H102 PolarHBondContact O-N 3.24Å; T99-H102 PolarHBondContact OG1-ND1 2.89Å; T99-W103 VanDerWaalsContact O-CD1 3.27Å; T99-W103 PolarHBondContact O-N 2.83Å; T99-F125 HydrophobicContact CG2-CB 3.94Å; T99-F125 HydrophobicContact CG2-CD1 3.44Å; T99-F125 VanDerWaalsContact CG2-CD1 3.44Å; T99-F125 HydrophobicContact CG2-CD2 4.11Å; T99-F125 HydrophobicContact CG2-CE1 3.97Å; T99-F125 HydrophobicContact CG2-CG 3.53Å
100P98.6Very high96.6Very high0 Ų034.5 Ų34.50%017%0.174CC..Hα-helixtrans-55.2-32.9172.3-27.136.2000113.2L67 H68 A71 I89 R91 W103 A104 L116L67-P100 HydrophobicContact CB-CG 4.13Å; L67-P100 HydrophobicContact CD2-CB 4.35Å; L67-P100 HydrophobicContact CD2-CG 3.96Å; L67-P100 HydrophobicContact CG-CB 3.94Å; L67-P100 HydrophobicContact CG-CG 3.81Å; H68-P100 WeakPolarHBondContact NE2-CD 3.29Å; A71-P100 HydrophobicContact CB-CB 3.91Å; A71-P100 WeakPolarHBondContact CB-O 3.3Å; I89-P100 VanDerWaalsContact O-CD 3.29Å; I89-P100 WeakPolarHBondContact O-CD 3.47Å; I89-P100 WeakPolarHBondContact O-CG 3.3Å; R91-P100 WeakPolarHBondContact O-CD 3.37Å; P100-W103 PolarHBondContact O-N 3.12Å; P100-A104 PolarHBondContact O-N 2.95Å; P100-L116 HydrophobicContact CB-CD1 4.2Å
101L98.6Very high96.2Very high0 Ų034 Ų340%017%0.173CC..Hα-helixtrans-63.3-43.2175.4-175.660.7000111.7T99 W103 A104 I105 V113 L116 M117 A121 P123 C133T99-L101 PolarHBondContact O-N 3.1Å; T99-L101 PolarHBondContact OG1-N 3.3Å; L101-W103 VanDerWaalsContact C-N 3.3Å; L101-W103 PolarHBondContact O-N 3.48Å; L101-A104 PolarHBondContact O-N 3.19Å; L101-I105 HydrophobicContact CD1-CD1 4.38Å; L101-I105 HydrophobicContact CG-CD1 4.14Å; L101-I105 VanDerWaalsContact O-CG1 3.26Å; L101-I105 WeakPolarHBondContact O-CG1 3.33Å; L101-I105 PolarHBondContact O-N 3.42Å; L101-V113 HydrophobicContact CD1-CB 4.25Å; L101-V113 HydrophobicContact CD1-CG1 4Å; L101-V113 HydrophobicContact CD1-CG2 4.26Å; L101-L116 HydrophobicContact CB-CD1 4.37Å; L101-L116 HydrophobicContact CD1-CB 4.16Å; L101-L116 HydrophobicContact CD1-CD1 4.38Å; L101-M117 HydrophobicContact CD1-CG 4.08Å; L101-M117 HydrophobicContact CD2-CG 4.01Å; L101-A121 HydrophobicContact CB-CB 4.26Å; L101-A121 HydrophobicContact CD2-CB 3.97Å; L101-P123 HydrophobicContact CD2-CB 4.1Å; L101-C133 HydrophobicContact CD2-CB 4.41Å
102H98.5Very high96.1Very high0 Ų030.2 Ų30.20%016%0.159CC..Hα-helixtrans-58.3-43.8173.5-69.486.1000111.6A98 T99 I105 R106 F125 L131 C133A98-H102 HydrophobicContact CB-CB 3.84Å; T99-H102 PolarHBondContact N-ND1 3.46Å; T99-H102 WeakPolarHBondContact O-CB 3.43Å; T99-H102 PolarHBondContact O-N 3.24Å; T99-H102 PolarHBondContact OG1-ND1 2.89Å; H102-I105 PolarHBondContact O-N 2.77Å; H102-R106 WeakPolarHBondContact O-CG 3.15Å; H102-R106 PolarHBondContact O-N 3.27Å; H102-F125 PolarHBondContact CE1-O 3.46Å; H102-F125 PolarHBondContact NE2-O 3.1Å; H102-L131 PolarHBondContact NE2-O 3.05Å; H102-C133 PolarHBondContact CE1-SG 3.48Å; H102-C133 VanDerWaalsContact CG-SG 3.56Å; H102-C133 PolarHBondContact ND1-SG 3.47Å; H102-C133 VanDerWaalsContact ND1-SG 3.42Å; H102-C133 PolarHBondContact NE2-N 3Å; H102-C133 PolarHBondContact NE2-SG 2.98Å
103W98.2Very high96.1Very high34 Ų3427.6 Ų27.613%0.12914%0.142CC..Hα-helixtrans-64.8-42.6-178.6-75.447.7000111.7V64 H68 W69 I72 T99 P100 L101 I105 R106 Q107V64-W103 HydrophobicContact CB-CH2 4.35Å; V64-W103 HydrophobicContact CG1-CH2 3.63Å; V64-W103 HydrophobicContact CG1-CZ2 4.27Å; V64-W103 HydrophobicContact CG1-CZ3 3.88Å; V64-W103 HydrophobicContact CG2-CH2 3.66Å; V64-W103 HydrophobicContact CG2-CZ2 4.08Å; H68-W103 HydrophobicContact CB-CD2 4.04Å; H68-W103 HydrophobicContact CB-CE3 3.82Å; H68-W103 HydrophobicContact CB-CZ3 4.11Å; H68-W103 AromaticContact CD2-CD1 3.76Å; H68-W103 AromaticContact CD2-CD2 3.92Å; H68-W103 AromaticContact CD2-CE2 3.8Å; H68-W103 AromaticContact CD2-CG 3.96Å; H68-W103 AromaticContact CD2-NE1 3.63Å; W69-W103 HydrophobicContact CE3-CZ3 4.45Å; W69-W103 HydrophobicContact CZ3-CZ3 4.42Å; I72-W103 HydrophobicContact CB-CB 4.19Å; I72-W103 HydrophobicContact CB-CE3 3.78Å; I72-W103 HydrophobicContact CD1-CD2 4.26Å; I72-W103 HydrophobicContact CD1-CE3 3.56Å; I72-W103 HydrophobicContact CD1-CZ3 4Å; I72-W103 HydrophobicContact CG1-CE3 4.18Å; I72-W103 HydrophobicContact CG2-CE3 3.91Å; I72-W103 HydrophobicContact CG2-CZ3 4.32Å; T99-W103 VanDerWaalsContact O-CD1 3.27Å; T99-W103 PolarHBondContact O-N 2.83Å; P100-W103 PolarHBondContact O-N 3.12Å; L101-W103 VanDerWaalsContact C-N 3.3Å; L101-W103 PolarHBondContact O-N 3.48Å; W103-I105 VanDerWaalsContact C-N 3.31Å; W103-I105 PolarHBondContact O-N 3.29Å; W103-R106 PolarHBondContact O-N 3.03Å; W103-Q107 PolarHBondContact O-N 3.3Å
104A98.2Very high96Very high0 Ų027.5 Ų27.50%014%0.141CC..Hα-helixtrans-60-40.2173.300000112.3A71 P100 L101 Q107 S108 H109 M112 V113 L116A71-A104 HydrophobicContact CB-CB 4.31Å; P100-A104 PolarHBondContact O-N 2.95Å; L101-A104 PolarHBondContact O-N 3.19Å; A104-Q107 CarbonylContact O-C 3.52Å; A104-Q107 PolarHBondContact O-N 3.17Å; A104-S108 PolarHBondContact O-N 3.39Å; A104-H109 PolarHBondContact O-N 3.27Å; A104-M112 HydrophobicContact CB-CB 4.02Å; A104-M112 HydrophobicContact CB-CG 3.64Å; A104-V113 HydrophobicContact CB-CG2 3.96Å; A104-L116 HydrophobicContact CB-CD1 4.29Å
105I98Very high96Very high0 Ų027.3 Ų27.30%014%0.136CC..Hα-helixtrans-68.5-43178.9-67.4171.3000111.6L101 H102 W103 Q107 S108 V113 C133 V136 A137 I145 L149L101-I105 HydrophobicContact CD1-CD1 4.38Å; L101-I105 HydrophobicContact CG-CD1 4.14Å; L101-I105 VanDerWaalsContact O-CG1 3.26Å; L101-I105 WeakPolarHBondContact O-CG1 3.33Å; L101-I105 PolarHBondContact O-N 3.42Å; H102-I105 PolarHBondContact O-N 2.77Å; W103-I105 VanDerWaalsContact C-N 3.31Å; W103-I105 PolarHBondContact O-N 3.29Å; I105-Q107 PolarHBondContact O-N 3.37Å; I105-S108 PolarHBondContact O-N 3.46Å; I105-V113 HydrophobicContact CG1-CG2 3.53Å; I105-C133 HydrophobicContact CD1-CB 3.42Å; I105-C133 VanDerWaalsContact CD1-CB 3.42Å; I105-V136 HydrophobicContact CG2-CB 4.27Å; I105-V136 HydrophobicContact CG2-CG1 3.94Å; I105-A137 HydrophobicContact CG2-CB 3.76Å; I105-I145 HydrophobicContact CD1-CG2 4.34Å; I105-I145 HydrophobicContact CG1-CG2 4Å; I105-I145 HydrophobicContact CG2-CG2 4.23Å; I105-L149 HydrophobicContact CD1-CD1 4.25Å
106R96.9Very high96.2Very high63 Ų6319.4 Ų19.424%0.23810%0.1CC..Hα-helixtrans-57.4-33.3177.4-72.2-177-171.5-74.41.8112H102 W103 D127 V136H102-R106 WeakPolarHBondContact O-CG 3.15Å; H102-R106 PolarHBondContact O-N 3.27Å; W103-R106 PolarHBondContact O-N 3.03Å; R106-D127 IonicContact NH2-OD2 3.39Å; R106-D127 PolarHBondContact NH2-OD2 2.84Å; R106-V136 HydrophobicContact CG-CG1 3.52Å
107Q95.6Very high96.3Very high97 Ų9718.9 Ų18.945%0.45310%0.096SC..THydrogen-bonded Turntrans-94.49.1175.2-60.5-59.5-16.100114.6I72 W103 A104 I105 H109I72-Q107 HydrophobicContact CB-CG 4.5Å; I72-Q107 HydrophobicContact CD1-CG 4.27Å; I72-Q107 HydrophobicContact CG1-CG 3.39Å; W103-Q107 PolarHBondContact O-N 3.3Å; A104-Q107 CarbonylContact O-C 3.52Å; A104-Q107 PolarHBondContact O-N 3.17Å; I105-Q107 PolarHBondContact O-N 3.37Å; Q107-H109 WeakPolarHBondContact CB-NE2 3.22Å; Q107-H109 PolarHBondContact O-CE1 3.5Å; Q107-H109 PolarHBondContact O-N 3.35Å; Q107-H109 PolarHBondContact O-ND1 2.78Å
108S93.6Very high96.2Very high52 Ų5222.3 Ų22.336%0.36411%0.109SC..THydrogen-bonded Turntrans6226.5175-730000114.7A104 I105 L110 N142A104-S108 PolarHBondContact O-N 3.39Å; I105-S108 PolarHBondContact O-N 3.46Å; S108-L110 PolarHBondContact O-N 3.32Å; S108-L110 VanDerWaalsContact O-N 3.11Å; S108-N142 VanDerWaalsContact CA-ND2 3.34Å; S108-N142 WeakPolarHBondContact CA-ND2 3.4Å; S108-N142 WeakPolarHBondContact CB-ND2 3.3Å; S108-N142 PolarHBondContact OG-ND2 3.25Å
109H93.9Very high96.1Very high48 Ų4828.7 Ų28.722%0.22213%0.133CC..  trans-85.277.9-176.9-65.4-32.1000112.6I72 N74 A104 Q107 S111 M112 V113I72-H109 PolarHBondContact O-CD2 3.45Å; I72-H109 PolarHBondContact O-NE2 2.98Å; I72-H109 VanDerWaalsContact O-NE2 3.11Å; N74-H109 HydrophobicContact CB-CB 4.23Å; A104-H109 PolarHBondContact O-N 3.27Å; Q107-H109 WeakPolarHBondContact CB-NE2 3.22Å; Q107-H109 PolarHBondContact O-CE1 3.5Å; Q107-H109 PolarHBondContact O-N 3.35Å; Q107-H109 PolarHBondContact O-ND1 2.78Å; H109-S111 VanDerWaalsContact C-N 3.27Å; H109-S111 PolarHBondContact O-N 2.83Å; H109-M112 HydrophobicContact CB-CB 3.98Å; H109-M112 PolarHBondContact O-N 3.21Å; H109-M112 VanDerWaalsContact O-N 3.07Å; H109-V113 WeakPolarHBondContact O-CG2 3.44Å; H109-V113 PolarHBondContact O-N 3.4Å
110L91.9Very high96Very high21 Ų2131.1 Ų31.111%0.1116%0.158CC..Hα-helixtrans-53.6-40-178.8179.764.8000113.6S108 M112 V113 H114 P144 I145 Y148 L429 L458S108-L110 PolarHBondContact O-N 3.32Å; S108-L110 VanDerWaalsContact O-N 3.11Å; L110-M112 VanDerWaalsContact C-N 3.34Å; L110-M112 PolarHBondContact O-N 3.44Å; L110-V113 PolarHBondContact O-N 2.91Å; L110-H114 WeakPolarHBondContact O-CB 3.34Å; L110-H114 PolarHBondContact O-N 3.43Å; L110-P144 HydrophobicContact CD2-CB 4.11Å; L110-I145 HydrophobicContact CB-CG1 4.34Å; L110-I145 HydrophobicContact CD1-CG1 4.01Å; L110-Y148 HydrophobicContact CD1-CG 4.16Å; L110-L429 HydrophobicContact CD1-CD1 4.24Å; L110-L429 HydrophobicContact CD2-CD1 4.13Å; L110-L429 HydrophobicContact CD2-CD2 3.86Å; L110-L429 HydrophobicContact CG-CD1 4Å; L110-L429 HydrophobicContact CG-CD2 3.94Å; L110-L458 HydrophobicContact CD2-CD1 4.07Å
111S91.1Very high96Very high22 Ų2231.4 Ų31.415%0.15416%0.16CC..Hα-helixtrans-60.4-41.5178.147.70000112.8N74 H109 F115 N433N74-S111 PolarHBondContact ND2-OG 2.88Å; N74-S111 VanDerWaalsContact ND2-OG 3.14Å; N74-S111 PolarHBondContact OD1-OG 3.25Å; H109-S111 VanDerWaalsContact C-N 3.27Å; H109-S111 PolarHBondContact O-N 2.83Å; S111-F115 VanDerWaalsContact O-CB 3.32Å; S111-F115 WeakPolarHBondContact O-CB 3.12Å; S111-F115 PolarHBondContact O-N 2.89Å; S111-N433 VanDerWaalsContact CB-OD1 3.27Å; S111-N433 WeakPolarHBondContact CB-OD1 3.49Å; S111-N433 PolarHBondContact O-ND2 3.45Å; S111-N433 VanDerWaalsContact O-ND2 3.15Å
112M95.2Very high95.9Very high0 Ų035 Ų350%018%0.179CC..Hα-helixtrans-72.8-40.7176.4-177.263.267.100111.5A70 A71 N74 L76 A79 A104 H109 L110 H114 F115 L116A70-M112 WeakPolarHBondContact O-CE 3.32Å; A71-M112 HydrophobicContact CB-CG 4.06Å; A71-M112 HydrophobicContact CB-SD 4.38Å; N74-M112 WeakPolarHBondContact OD1-CB 3.44Å; L76-M112 HydrophobicContact CD2-CB 4.47Å; L76-M112 HydrophobicContact CD2-CE 3.98Å; L76-M112 HydrophobicContact CD2-SD 4.28Å; L76-M112 HydrophobicContact CG-CE 4.32Å; A79-M112 HydrophobicContact CB-CE 3.89Å; A79-M112 HydrophobicContact CB-SD 3.92Å; A104-M112 HydrophobicContact CB-CB 4.02Å; A104-M112 HydrophobicContact CB-CG 3.64Å; H109-M112 HydrophobicContact CB-CB 3.98Å; H109-M112 PolarHBondContact O-N 3.21Å; H109-M112 VanDerWaalsContact O-N 3.07Å; L110-M112 VanDerWaalsContact C-N 3.34Å; L110-M112 PolarHBondContact O-N 3.44Å; M112-H114 VanDerWaalsContact C-N 3.34Å; M112-H114 PolarHBondContact O-N 3.27Å; M112-F115 PolarHBondContact O-N 3.07Å; M112-F115 HydrophobicContact SD-CD1 4.02Å; M112-L116 HydrophobicContact CG-CD1 3.88Å; M112-L116 HydrophobicContact CG-CG 4.24Å; M112-L116 WeakPolarHBondContact O-CB 3.36Å; M112-L116 WeakPolarHBondContact O-CG 3.4Å; M112-L116 PolarHBondContact O-N 2.67Å; M112-L116 HydrophobicContact SD-CD1 4.17Å; M112-L116 HydrophobicContact SD-CD2 4.48Å; M112-L116 HydrophobicContact SD-CG 4.03Å
113V96.2Very high95.8Very high0 Ų035.6 Ų35.60%018%0.184CC..Hα-helixtrans-56.1-51174.51690000110.6L101 A104 I105 H109 L110 L116 M117 I145 Y148L101-V113 HydrophobicContact CD1-CB 4.25Å; L101-V113 HydrophobicContact CD1-CG1 4Å; L101-V113 HydrophobicContact CD1-CG2 4.26Å; A104-V113 HydrophobicContact CB-CG2 3.96Å; I105-V113 HydrophobicContact CG1-CG2 3.53Å; H109-V113 WeakPolarHBondContact O-CG2 3.44Å; H109-V113 PolarHBondContact O-N 3.4Å; L110-V113 PolarHBondContact O-N 2.91Å; V113-L116 PolarHBondContact O-N 3.46Å; V113-M117 HydrophobicContact CG1-SD 4.25Å; V113-M117 WeakPolarHBondContact O-CB 3.24Å; V113-M117 WeakPolarHBondContact O-CG 3.4Å; V113-M117 PolarHBondContact O-N 3.38Å; V113-I145 HydrophobicContact CG1-CG2 4.39Å; V113-I145 HydrophobicContact CG2-CD1 4.09Å; V113-I145 HydrophobicContact CG2-CG1 4.49Å; V113-Y148 HydrophobicContact CG1-CD1 3.97Å; V113-Y148 HydrophobicContact CG1-CE1 4.25Å
114H93.8Very high95.7Very high0 Ų037.6 Ų37.60%020%0.195CC..Hα-helixtrans-58.7-49.6175.9170.773.4000111.8L110 M112 L116 M117 Q118 Y148 D426 L429 T430L110-H114 WeakPolarHBondContact O-CB 3.34Å; L110-H114 PolarHBondContact O-N 3.43Å; M112-H114 VanDerWaalsContact C-N 3.34Å; M112-H114 PolarHBondContact O-N 3.27Å; H114-L116 PolarHBondContact O-N 3.01Å; H114-M117 PolarHBondContact O-N 3.29Å; H114-Q118 PolarHBondContact CE1-NE2 2.9Å; H114-Q118 PolarHBondContact NE2-NE2 3.05Å; H114-Q118 PolarHBondContact NE2-OE1 3.28Å; H114-Q118 WeakPolarHBondContact O-CB 3.15Å; H114-Q118 WeakPolarHBondContact O-CG 3.33Å; H114-Q118 PolarHBondContact O-N 3.08Å; H114-Y148 HydrophobicContact CB-CE1 4.32Å; H114-Y148 HydrophobicContact CB-CE2 4.31Å; H114-Y148 AromaticContact ND1-CE2 3.54Å; H114-Y148 AromaticContact ND1-CZ 3.43Å; H114-Y148 PolarHBondContact ND1-OH 3.44Å; H114-D426 IonicContact CE1-OD1 2.73Å; H114-D426 PolarHBondContact CE1-OD1 3Å; H114-D426 IonicContact ND1-OD1 2.8Å; H114-D426 PolarHBondContact ND1-OD1 2.92Å; H114-D426 VanDerWaalsContact ND1-OD1 3.11Å; H114-L429 HydrophobicContact CB-CB 4.2Å; H114-L429 HydrophobicContact CB-CD1 3.82Å; H114-L429 WeakPolarHBondContact CD2-CB 3.29Å; H114-T430 PolarHBondContact NE2-N 2.93Å
115F95.3Very high95.6Very high10 Ų1040.8 Ų40.84%0.04421%0.209CC..Hα-helixtrans-57.1-46.9178.5173.3-103.2000112.7L76 A79 H80 L83 S111 M112 Q118 R119L76-F115 HydrophobicContact CD2-CB 3.79Å; L76-F115 HydrophobicContact CD2-CD1 4.43Å; L76-F115 HydrophobicContact CD2-CG 4.1Å; A79-F115 HydrophobicContact CB-CD1 4.15Å; A79-F115 HydrophobicContact CB-CE1 3.69Å; H80-F115 HydrophobicContact CB-CE2 4.2Å; H80-F115 HydrophobicContact CB-CZ 3.89Å; H80-F115 AromaticContact CD2-CE2 3.97Å; L83-F115 HydrophobicContact CD1-CE1 3.65Å; L83-F115 HydrophobicContact CD1-CZ 3.8Å; S111-F115 VanDerWaalsContact O-CB 3.32Å; S111-F115 WeakPolarHBondContact O-CB 3.12Å; S111-F115 PolarHBondContact O-N 2.89Å; M112-F115 PolarHBondContact O-N 3.07Å; M112-F115 HydrophobicContact SD-CD1 4.02Å; F115-Q118 PolarHBondContact O-N 3.09Å; F115-R119 HydrophobicContact CE1-CG 4.45Å; F115-R119 HydrophobicContact CE2-CG 4.05Å; F115-R119 HydrophobicContact CZ-CG 3.96Å; F115-R119 VanDerWaalsContact O-CG 3.27Å; F115-R119 WeakPolarHBondContact O-CG 3.28Å; F115-R119 PolarHBondContact O-N 3.49Å
116L98.3Very high95.5Very high0 Ų045.5 Ų45.50%023%0.233CC..Hα-helixtrans-66.2-44.3179.4-70.7172.3000111.5L67 A71 I89 P100 L101 A104 M112 V113 H114 Q118 R119 G120 A121L67-L116 HydrophobicContact CD1-CD2 4.25Å; L67-L116 HydrophobicContact CD2-CD2 4.46Å; A71-L116 HydrophobicContact CB-CD1 4.13Å; I89-L116 WeakPolarHBondContact CD1-O 3.48Å; P100-L116 HydrophobicContact CB-CD1 4.2Å; L101-L116 HydrophobicContact CB-CD1 4.37Å; L101-L116 HydrophobicContact CD1-CB 4.16Å; L101-L116 HydrophobicContact CD1-CD1 4.38Å; A104-L116 HydrophobicContact CB-CD1 4.29Å; M112-L116 HydrophobicContact CG-CD1 3.88Å; M112-L116 HydrophobicContact CG-CG 4.24Å; M112-L116 WeakPolarHBondContact O-CB 3.36Å; M112-L116 WeakPolarHBondContact O-CG 3.4Å; M112-L116 PolarHBondContact O-N 2.67Å; M112-L116 HydrophobicContact SD-CD1 4.17Å; M112-L116 HydrophobicContact SD-CD2 4.48Å; M112-L116 HydrophobicContact SD-CG 4.03Å; V113-L116 PolarHBondContact O-N 3.46Å; H114-L116 PolarHBondContact O-N 3.01Å; L116-Q118 PolarHBondContact O-N 2.73Å; L116-R119 CarbonylContact O-C 3.16Å; L116-R119 WeakPolarHBondContact O-CA 3.33Å; L116-R119 PolarHBondContact O-N 3.48Å; L116-G120 PolarHBondContact O-N 3.23Å; L116-A121 HydrophobicContact CB-CB 3.91Å; L116-A121 VanDerWaalsContact O-CB 3.27Å; L116-A121 WeakPolarHBondContact O-CB 3.38Å; L116-A121 PolarHBondContact O-N 3.25Å
117M97.2Very high95.5Very high28 Ų2842.8 Ų42.814%0.13822%0.223CC..Hα-helixtrans-64.5-38.5177.9-73.9-173.264.200112.5L101 V113 H114 R119 G120 P123 Y148 L149 H152L101-M117 HydrophobicContact CD1-CG 4.08Å; L101-M117 HydrophobicContact CD2-CG 4.01Å; V113-M117 HydrophobicContact CG1-SD 4.25Å; V113-M117 WeakPolarHBondContact O-CB 3.24Å; V113-M117 WeakPolarHBondContact O-CG 3.4Å; V113-M117 PolarHBondContact O-N 3.38Å; H114-M117 PolarHBondContact O-N 3.29Å; M117-R119 PolarHBondContact O-N 3.5Å; M117-G120 PolarHBondContact O-N 3.29Å; M117-P123 HydrophobicContact CE-CG 4.12Å; M117-Y148 HydrophobicContact CB-CE1 4.26Å; M117-Y148 HydrophobicContact CE-CE1 4.27Å; M117-Y148 HydrophobicContact CG-CE1 4.41Å; M117-Y148 HydrophobicContact SD-CD1 3.97Å; M117-Y148 HydrophobicContact SD-CE1 3.56Å; M117-Y148 VanDerWaalsContact SD-CE1 3.56Å; M117-L149 HydrophobicContact CE-CD2 4.06Å; M117-L149 HydrophobicContact SD-CD2 3.47Å; M117-L149 WeakPolarHBondContact SD-CD2 3.45Å; M117-H152 HydrophobicContact CE-CB 3.78Å
118Q94.5Very high95.5Very high94 Ų9444 Ų4444%0.43923%0.232SC..Hα-helixtrans-60.5-26.6172.2-77.4-168.4-3000113.4H114 F115 L116 G120H114-Q118 PolarHBondContact CE1-NE2 2.9Å; H114-Q118 PolarHBondContact NE2-NE2 3.05Å; H114-Q118 PolarHBondContact NE2-OE1 3.28Å; H114-Q118 WeakPolarHBondContact O-CB 3.15Å; H114-Q118 WeakPolarHBondContact O-CG 3.33Å; H114-Q118 PolarHBondContact O-N 3.08Å; F115-Q118 PolarHBondContact O-N 3.09Å; L116-Q118 PolarHBondContact O-N 2.73Å; Q118-G120 VanDerWaalsContact C-N 3.31Å
119R96.5Very high95.6Very high133 Ų13344.5 Ų44.550%0.50223%0.233SC..THydrogen-bonded Turntrans-90.54.4176.6-62.6-67.6-178.1165.61.9113H80 L83 I89 F115 L116 M117H80-R119 PolarHBondContact CD2-NH2 2.97Å; H80-R119 PolarHBondContact NE2-NH2 2.87Å; L83-R119 HydrophobicContact CD1-CB 3.82Å; L83-R119 HydrophobicContact CD1-CG 3.74Å; I89-R119 HydrophobicContact CD1-CB 3.51Å; I89-R119 WeakPolarHBondContact CD1-O 3.32Å; F115-R119 HydrophobicContact CE1-CG 4.45Å; F115-R119 HydrophobicContact CE2-CG 4.05Å; F115-R119 HydrophobicContact CZ-CG 3.96Å; F115-R119 VanDerWaalsContact O-CG 3.27Å; F115-R119 WeakPolarHBondContact O-CG 3.28Å; F115-R119 PolarHBondContact O-N 3.49Å; L116-R119 CarbonylContact O-C 3.16Å; L116-R119 WeakPolarHBondContact O-CA 3.33Å; L116-R119 PolarHBondContact O-N 3.48Å; M117-R119 PolarHBondContact O-N 3.5Å
120G96.2Very high95.7Very high51 Ų5142.9 Ų42.953%0.52623%0.229SC..THydrogen-bonded Turntrans96.916.317400000115.5L116 M117 Q118 D122L116-G120 PolarHBondContact O-N 3.23Å; M117-G120 PolarHBondContact O-N 3.29Å; Q118-G120 VanDerWaalsContact C-N 3.31Å; G120-D122 PolarHBondContact O-N 3.19Å
121A98Very high95.9Very high6 Ų643 Ų435%0.0523%0.23CC..  trans-63.7128.9175.500000110.9I89 L101 L116 P123I89-A121 HydrophobicContact CD1-CB 3.87Å; I89-A121 HydrophobicContact CG1-CB 3.83Å; L101-A121 HydrophobicContact CB-CB 4.26Å; L101-A121 HydrophobicContact CD2-CB 3.97Å; L116-A121 HydrophobicContact CB-CB 3.91Å; L116-A121 VanDerWaalsContact O-CB 3.27Å; L116-A121 WeakPolarHBondContact O-CB 3.38Å; L116-A121 PolarHBondContact O-N 3.25Å; A121-P123 WeakPolarHBondContact O-CD 3.3Å
122D97Very high96.2Very high75 Ų7542 Ų4240%0.40122%0.224SC..  trans-86.2113.1-178.4-176.87.5000112.1D90 G120 M124 F125D90-D122 PolarHBondContact OD1-N 3.05Å; D90-D122 PolarHBondContact OD2-N 3.22Å; G120-D122 PolarHBondContact O-N 3.19Å; D122-M124 PolarHBondContact O-N 2.9Å; D122-M124 VanDerWaalsContact OD1-CB 3.29Å; D122-M124 WeakPolarHBondContact OD1-CB 3.39Å; D122-M124 PolarHBondContact OD1-N 3.48Å; D122-F125 PolarHBondContact O-N 3.41Å
123P96.2Very high96.3Very high14 Ų1442 Ų429%0.09122%0.224CC..THydrogen-bonded Turntrans-69.7-10.917631-36.4000114L101 M117 A121 C133 L149 V154L101-P123 HydrophobicContact CD2-CB 4.1Å; M117-P123 HydrophobicContact CE-CG 4.12Å; A121-P123 WeakPolarHBondContact O-CD 3.3Å; P123-C133 HydrophobicContact CB-CB 3.97Å; P123-C133 WeakPolarHBondContact O-CB 3.47Å; P123-C133 PolarHBondContact O-N 2.8Å; P123-C133 VanDerWaalsContact O-N 3.11Å; P123-L149 HydrophobicContact CB-CD2 3.77Å; P123-L149 HydrophobicContact CG-CD2 4.42Å; P123-V154 HydrophobicContact CB-CG2 4.23Å; P123-V154 HydrophobicContact CG-CG2 3.81Å
124M95.7Very high96.4Very high75 Ų7542 Ų4237%0.36922%0.224SC..THydrogen-bonded Turntrans-86.9-8.9179.3-59.1-66.187.600113.8D122 M126 V154D122-M124 PolarHBondContact O-N 2.9Å; D122-M124 VanDerWaalsContact OD1-CB 3.29Å; D122-M124 WeakPolarHBondContact OD1-CB 3.39Å; D122-M124 PolarHBondContact OD1-N 3.48Å; M124-M126 PolarHBondContact O-N 3.26Å; M124-V154 HydrophobicContact CE-CB 4.33Å; M124-V154 HydrophobicContact CE-CG1 3.6Å; M124-V154 HydrophobicContact CE-CG2 3.9Å
125F96.4Very high96.5Very high68 Ų6842.3 Ų42.330%0.29823%0.225SC..PPolyproline II helixtrans-57131.7170.2-164.4-77.4000109.6P92 T99 H102 D122 G132P92-F125 HydrophobicContact CB-CZ 4.31Å; P92-F125 HydrophobicContact CG-CE1 4.33Å; P92-F125 HydrophobicContact CG-CE2 4.31Å; P92-F125 HydrophobicContact CG-CZ 3.65Å; T99-F125 HydrophobicContact CG2-CB 3.94Å; T99-F125 HydrophobicContact CG2-CD1 3.44Å; T99-F125 VanDerWaalsContact CG2-CD1 3.44Å; T99-F125 HydrophobicContact CG2-CD2 4.11Å; T99-F125 HydrophobicContact CG2-CE1 3.97Å; T99-F125 HydrophobicContact CG2-CG 3.53Å; H102-F125 PolarHBondContact CE1-O 3.46Å; H102-F125 PolarHBondContact NE2-O 3.1Å; D122-F125 PolarHBondContact O-N 3.41Å; F125-G132 WeakPolarHBondContact O-CA 3.42Å
126M96.8Very high96.6Very high99 Ų9941.9 Ų41.949%0.48822%0.223SC..BIsolated β-bridgetrans-102.1134178.4-68.2-174.9-73.200110.6M124M124-M126 PolarHBondContact O-N 3.26Å
127D96.8Very high96.6Very high5 Ų541.9 Ų41.93%0.02722%0.223CC..PPolyproline II helixtrans-72.4173.9169.278.110.6000111.7L96 A98 R106 T129 G130 L131L96-D127 HydrophobicContact CB-CB 4.46Å; L96-D127 WeakPolarHBondContact O-CB 3.32Å; A98-D127 HydrophobicContact CB-CB 3.88Å; R106-D127 IonicContact NH2-OD2 3.39Å; R106-D127 PolarHBondContact NH2-OD2 2.84Å; D127-T129 PolarHBondContact O-N 3.33Å; D127-T129 WeakPolarHBondContact OD1-CA 3.49Å; D127-T129 WeakPolarHBondContact OD1-CB 3.42Å; D127-T129 PolarHBondContact OD1-N 2.9Å; D127-T129 PolarHBondContact OD1-OG1 3.26Å; D127-G130 WeakPolarHBondContact O-CA 3.25Å; D127-G130 PolarHBondContact O-N 3.06Å; D127-G130 PolarHBondContact OD1-N 3.43Å; D127-L131 PolarHBondContact N-O 3.01Å; D127-L131 PolarHBondContact OD1-N 3.01Å
128N96Very high96.6Very high122 Ų12240.5 Ų40.565%0.65222%0.216SC*.THydrogen-bonded Turntrans-63.2-8.8-179.3-76-15.8000114.2L96 A97 G130L96-N128 VanDerWaalsContact O-CB 3.3Å; L96-N128 WeakPolarHBondContact O-CB 3.3Å; L96-N128 PolarHBondContact O-N 3.34Å; A97-N128 VanDerWaalsContact CB-ND2 3.31Å; A97-N128 WeakPolarHBondContact CB-ND2 3.29Å; A97-N128 WeakPolarHBondContact CB-OD1 3.21Å; N128-G130 VanDerWaalsContact C-N 3.32Å
129T94.3Very high96.7Very high64 Ų6438.7 Ų38.739%0.39321%0.208SC..THydrogen-bonded Turntrans-90.8-0.8171.971.30000112.5L96 D127 L131L96-T129 HydrophobicContact CD2-CG2 3.88Å; D127-T129 PolarHBondContact O-N 3.33Å; D127-T129 WeakPolarHBondContact OD1-CA 3.49Å; D127-T129 WeakPolarHBondContact OD1-CB 3.42Å; D127-T129 PolarHBondContact OD1-N 2.9Å; D127-T129 PolarHBondContact OD1-OG1 3.26Å; T129-L131 VanDerWaalsContact C-N 3.33Å; T129-L131 WeakPolarHBondContact OG1-CD1 3.41Å; T129-L131 WeakPolarHBondContact OG1-CG 3.3Å
130G96.1Very high96.6Very high13 Ų1335.8 Ų35.813%0.13420%0.201CC..SBendtrans829.2-174.900000113.3D127 N128 D160 G161D127-G130 WeakPolarHBondContact O-CA 3.25Å; D127-G130 PolarHBondContact O-N 3.06Å; D127-G130 PolarHBondContact OD1-N 3.43Å; N128-G130 VanDerWaalsContact C-N 3.32Å; G130-D160 CarbonylContact O-C 3.51Å; G130-D160 WeakPolarHBondContact O-CA 3.44Å; G130-D160 WeakPolarHBondContact O-CB 3.41Å; G130-G161 PolarHBondContact O-N 3.04Å
131L96.6Very high96.5Very high24 Ų2434.7 Ų34.713%0.12619%0.19CC..  trans-94.7117.3-176.8-62.7177.3000110.5H102 D127 T129 H135 V136 D160 I169H102-L131 PolarHBondContact NE2-O 3.05Å; D127-L131 PolarHBondContact N-O 3.01Å; D127-L131 PolarHBondContact OD1-N 3.01Å; T129-L131 VanDerWaalsContact C-N 3.33Å; T129-L131 WeakPolarHBondContact OG1-CD1 3.41Å; T129-L131 WeakPolarHBondContact OG1-CG 3.3Å; L131-H135 HydrophobicContact CB-CB 4.26Å; L131-H135 HydrophobicContact CD2-CB 3.75Å; L131-V136 HydrophobicContact CB-CG2 4Å; L131-V136 HydrophobicContact CD1-CG2 4.49Å; L131-D160 HydrophobicContact CD2-CB 4.02Å; L131-I169 HydrophobicContact CD2-CD1 4.1Å
132G96.6Very high96.1Very high2 Ų235.4 Ų35.42%0.02119%0.193CC..BIsolated β-bridgetrans-72166.6161.400000113.6F125 F134 H135 V136F125-G132 WeakPolarHBondContact O-CA 3.42Å; G132-F134 PolarHBondContact O-N 3.06Å; G132-F134 VanDerWaalsContact O-N 3.14Å; G132-H135 PolarHBondContact N-ND1 2.97Å; G132-H135 VanDerWaalsContact N-ND1 3.17Å; G132-H135 WeakPolarHBondContact O-CB 3.39Å; G132-H135 PolarHBondContact O-N 2.96Å; G132-V136 PolarHBondContact O-N 3.11Å; G132-V136 VanDerWaalsContact O-N 3.17Å
133C97.7Very high95.7Very high0 Ų032.7 Ų32.70%018%0.179CC..Hα-helixtrans-55.2-36.5-176.2-79.40000113.6L101 H102 I105 P123 V136 A137L101-C133 HydrophobicContact CD2-CB 4.41Å; H102-C133 PolarHBondContact CE1-SG 3.48Å; H102-C133 VanDerWaalsContact CG-SG 3.56Å; H102-C133 PolarHBondContact ND1-SG 3.47Å; H102-C133 VanDerWaalsContact ND1-SG 3.42Å; H102-C133 PolarHBondContact NE2-N 3Å; H102-C133 PolarHBondContact NE2-SG 2.98Å; I105-C133 HydrophobicContact CD1-CB 3.42Å; I105-C133 VanDerWaalsContact CD1-CB 3.42Å; P123-C133 HydrophobicContact CB-CB 3.97Å; P123-C133 WeakPolarHBondContact O-CB 3.47Å; P123-C133 PolarHBondContact O-N 2.8Å; P123-C133 VanDerWaalsContact O-N 3.11Å; C133-V136 PolarHBondContact O-N 2.98Å; C133-A137 WeakPolarHBondContact O-CB 3.32Å; C133-A137 PolarHBondContact O-N 2.92Å
134F97.7Very high95.2Very high0 Ų033.6 Ų33.60%019%0.185CC..Hα-helixtrans-64.6-43.2177.3-169-121.5000112.6G132 V136 A137 I138 I146 L149 L150 V154 T158 P166 L183G132-F134 PolarHBondContact O-N 3.06Å; G132-F134 VanDerWaalsContact O-N 3.14Å; F134-V136 VanDerWaalsContact C-N 3.32Å; F134-V136 PolarHBondContact O-N 3.49Å; F134-A137 WeakPolarHBondContact O-CB 3.31Å; F134-A137 PolarHBondContact O-N 3.36Å; F134-I138 HydrophobicContact CZ-CD1 4.28Å; F134-I138 WeakPolarHBondContact O-CG1 3.3Å; F134-I138 PolarHBondContact O-N 3.01Å; F134-I146 HydrophobicContact CE2-CB 4.46Å; F134-I146 HydrophobicContact CE2-CG2 3.76Å; F134-I146 HydrophobicContact CZ-CG2 4.1Å; F134-L149 HydrophobicContact CB-CD1 4.33Å; F134-L149 HydrophobicContact CD2-CB 3.8Å; F134-L149 HydrophobicContact CD2-CD1 3.86Å; F134-L149 HydrophobicContact CD2-CG 4.49Å; F134-L149 HydrophobicContact CE2-CB 4.28Å; F134-L150 HydrophobicContact CE1-CD2 4.26Å; F134-L150 HydrophobicContact CE2-CD1 4.28Å; F134-L150 HydrophobicContact CE2-CD2 3.93Å; F134-L150 HydrophobicContact CE2-CG 3.66Å; F134-L150 HydrophobicContact CZ-CD1 4.08Å; F134-L150 HydrophobicContact CZ-CD2 3.51Å; F134-L150 HydrophobicContact CZ-CG 3.67Å; F134-V154 HydrophobicContact CB-CG1 3.77Å; F134-V154 HydrophobicContact CD1-CG1 3.95Å; F134-V154 HydrophobicContact CD2-CG1 4Å; F134-V154 HydrophobicContact CG-CG1 3.63Å; F134-T158 HydrophobicContact CB-CG2 4.44Å; F134-T158 HydrophobicContact CD1-CG2 3.67Å; F134-T158 HydrophobicContact CE1-CG2 4.49Å; F134-T158 HydrophobicContact CG-CG2 4.48Å; F134-P166 HydrophobicContact CD1-CB 4.11Å; F134-P166 HydrophobicContact CD1-CG 3.49Å; F134-P166 VanDerWaalsContact CD1-CG 3.49Å; F134-P166 HydrophobicContact CE1-CB 3.64Å; F134-P166 HydrophobicContact CE1-CG 3.39Å; F134-L183 HydrophobicContact CE1-CD2 4.35Å; F134-L183 HydrophobicContact CZ-CD2 3.95Å
135H97.6Very high95.1Very high6 Ų630 Ų303%0.02817%0.167CC..Hα-helixtrans-62.7-41176.3-52.1109.1000111.5L131 G132 I138 Q139 R159 D160 I169L131-H135 HydrophobicContact CB-CB 4.26Å; L131-H135 HydrophobicContact CD2-CB 3.75Å; G132-H135 PolarHBondContact N-ND1 2.97Å; G132-H135 VanDerWaalsContact N-ND1 3.17Å; G132-H135 WeakPolarHBondContact O-CB 3.39Å; G132-H135 PolarHBondContact O-N 2.96Å; H135-I138 WeakPolarHBondContact O-CB 3.42Å; H135-I138 PolarHBondContact O-N 3.42Å; H135-Q139 PolarHBondContact O-N 3.4Å; H135-R159 VanDerWaalsContact CE1-C 3.49Å; H135-R159 PolarHBondContact CE1-O 3.32Å; H135-D160 PolarHBondContact CE1-N 2.93Å; H135-D160 PolarHBondContact NE2-N 3.38Å; H135-I169 HydrophobicContact CB-CD1 3.68Å; H135-I169 VanDerWaalsContact CD2-CD1 3.44Å; H135-I169 WeakPolarHBondContact CD2-CD1 3.46Å
136V97.3Very high94.9Very high0 Ų026.8 Ų26.80%015%0.153CC..Hα-helixtrans-62.9-43.3174.4-179.40000110.9I105 R106 L131 G132 C133 F134 I138 Q139 M140I105-V136 HydrophobicContact CG2-CB 4.27Å; I105-V136 HydrophobicContact CG2-CG1 3.94Å; R106-V136 HydrophobicContact CG-CG1 3.52Å; L131-V136 HydrophobicContact CB-CG2 4Å; L131-V136 HydrophobicContact CD1-CG2 4.49Å; G132-V136 PolarHBondContact O-N 3.11Å; G132-V136 VanDerWaalsContact O-N 3.17Å; C133-V136 PolarHBondContact O-N 2.98Å; F134-V136 VanDerWaalsContact C-N 3.32Å; F134-V136 PolarHBondContact O-N 3.49Å; V136-I138 VanDerWaalsContact C-N 3.28Å; V136-I138 PolarHBondContact O-N 2.8Å; V136-Q139 WeakPolarHBondContact O-CB 3.31Å; V136-Q139 PolarHBondContact O-N 3.29Å; V136-Q139 VanDerWaalsContact O-N 3.14Å; V136-M140 HydrophobicContact CG1-CG 4.25Å; V136-M140 VanDerWaalsContact O-CG 3.28Å; V136-M140 WeakPolarHBondContact O-CG 3.39Å; V136-M140 PolarHBondContact O-N 2.82Å
137A97.1Very high94.5Very high0 Ų022.1 Ų22.10%013%0.13CC..Hα-helixtrans-59.2-39.8176.600000112.3I105 C133 F134 G141 N142 I145 I146 L149I105-A137 HydrophobicContact CG2-CB 3.76Å; C133-A137 WeakPolarHBondContact O-CB 3.32Å; C133-A137 PolarHBondContact O-N 2.92Å; F134-A137 WeakPolarHBondContact O-CB 3.31Å; F134-A137 PolarHBondContact O-N 3.36Å; A137-G141 PolarHBondContact O-N 2.79Å; A137-N142 PolarHBondContact O-N 2.77Å; A137-I145 HydrophobicContact CB-CB 4.42Å; A137-I145 HydrophobicContact CB-CG2 3.7Å; A137-I146 HydrophobicContact CB-CG1 3.99Å; A137-L149 HydrophobicContact CB-CD1 3.87Å
138I97.9Very high94.1Very high0 Ų021.9 Ų21.90%013%0.129CC..Hα-helixtrans-64-49.3172.4-61.7-64.8000111.1F134 H135 V136 M140 G141 I146 P166 I169 A170 V174 I179 L183F134-I138 HydrophobicContact CZ-CD1 4.28Å; F134-I138 WeakPolarHBondContact O-CG1 3.3Å; F134-I138 PolarHBondContact O-N 3.01Å; H135-I138 WeakPolarHBondContact O-CB 3.42Å; H135-I138 PolarHBondContact O-N 3.42Å; V136-I138 VanDerWaalsContact C-N 3.28Å; V136-I138 PolarHBondContact O-N 2.8Å; I138-M140 PolarHBondContact O-N 3.42Å; I138-G141 WeakPolarHBondContact O-CA 3.47Å; I138-G141 PolarHBondContact O-N 3.18Å; I138-I146 HydrophobicContact CD1-CD1 3.66Å; I138-I146 HydrophobicContact CD1-CG1 3.79Å; I138-I146 HydrophobicContact CD1-CG2 3.86Å; I138-P166 HydrophobicContact CG1-CB 4.1Å; I138-I169 HydrophobicContact CB-CG2 4.49Å; I138-I169 HydrophobicContact CG2-CB 4.38Å; I138-I169 HydrophobicContact CG2-CG2 4.08Å; I138-A170 HydrophobicContact CG2-CB 3.75Å; I138-V174 HydrophobicContact CG2-CG2 4.45Å; I138-V174 WeakPolarHBondContact O-CG2 3.32Å; I138-I179 HydrophobicContact CD1-CG2 4.15Å; I138-L183 HydrophobicContact CD1-CD1 4.08Å; I138-L183 HydrophobicContact CD1-CD2 4.05Å; I138-L183 HydrophobicContact CD1-CG 4.41Å
139Q96.4Very high94Very high56 Ų5616.1 Ų16.126%0.26210%0.098SC..Hα-helixtrans-56.9-39.9179.9-168.8-172.120.900111.8H135 V136 G141 H173H135-Q139 PolarHBondContact O-N 3.4Å; V136-Q139 WeakPolarHBondContact O-CB 3.31Å; V136-Q139 PolarHBondContact O-N 3.29Å; V136-Q139 VanDerWaalsContact O-N 3.14Å; Q139-G141 PolarHBondContact O-N 2.91Å; Q139-H173 HydrophobicContact CG-CB 4.05Å
140M95.3Very high93.9Very high71 Ų7113.2 Ų13.235%0.358%0.08SC..THydrogen-bonded Turntrans-75.4-11.3177.4-61.2-54.495.900113.2V136 I138 N142V136-M140 HydrophobicContact CG1-CG 4.25Å; V136-M140 VanDerWaalsContact O-CG 3.28Å; V136-M140 WeakPolarHBondContact O-CG 3.39Å; V136-M140 PolarHBondContact O-N 2.82Å; I138-M140 PolarHBondContact O-N 3.42Å; M140-N142 VanDerWaalsContact C-N 3.26Å; M140-N142 PolarHBondContact O-N 2.7Å
141G92.9Very high93.4Very high29 Ų2913.2 Ų13.230%0.2998%0.078SC..THydrogen-bonded Turntrans68.720.4179.100000114.4A137 I138 Q139 V143 I179A137-G141 PolarHBondContact O-N 2.79Å; I138-G141 WeakPolarHBondContact O-CA 3.47Å; I138-G141 PolarHBondContact O-N 3.18Å; Q139-G141 PolarHBondContact O-N 2.91Å; G141-V143 PolarHBondContact O-N 3.25Å; G141-I179 VanDerWaalsContact CA-CD1 3.41Å
142N90.2Very high93Very high21 Ų2115.2 Ų15.211%0.1129%0.086CC..  trans-88.189.5-173.9-171.8-31.8000111.6S108 A137 M140 P144 I145 I146S108-N142 VanDerWaalsContact CA-ND2 3.34Å; S108-N142 WeakPolarHBondContact CA-ND2 3.4Å; S108-N142 WeakPolarHBondContact CB-ND2 3.3Å; S108-N142 PolarHBondContact OG-ND2 3.25Å; A137-N142 PolarHBondContact O-N 2.77Å; M140-N142 VanDerWaalsContact C-N 3.26Å; M140-N142 PolarHBondContact O-N 2.7Å; N142-P144 WeakPolarHBondContact OD1-CB 3.46Å; N142-P144 WeakPolarHBondContact OD1-CD 3.49Å; N142-P144 VanDerWaalsContact OD1-CG 3.27Å; N142-P144 WeakPolarHBondContact OD1-CG 3.25Å; N142-I145 HydrophobicContact CB-CB 4.38Å; N142-I145 HydrophobicContact CB-CD1 4.32Å; N142-I145 WeakPolarHBondContact ND2-CD1 3.5Å; N142-I145 PolarHBondContact O-N 3.25Å; N142-I145 VanDerWaalsContact O-N 3.13Å; N142-I145 PolarHBondContact OD1-N 3.44Å; N142-I146 WeakPolarHBondContact O-CD1 3.4Å; N142-I146 VanDerWaalsContact O-CG1 3.24Å; N142-I146 WeakPolarHBondContact O-CG1 3Å; N142-I146 PolarHBondContact O-N 2.89Å
143V88.3Confident92.7Very high18 Ų1818.4 Ų18.411%0.10912%0.119CC..Hα-helixtrans-49.4-48178.4176.40000113.3G141 I145 I146 V147 D178 I179 L182 T463G141-V143 PolarHBondContact O-N 3.25Å; V143-I145 PolarHBondContact O-N 3.12Å; V143-I146 PolarHBondContact O-N 3.23Å; V143-V147 HydrophobicContact CG1-CG2 4.16Å; V143-V147 WeakPolarHBondContact O-CG2 3.24Å; V143-V147 PolarHBondContact O-N 3.32Å; V143-D178 HydrophobicContact CG2-CB 4.35Å; V143-I179 HydrophobicContact CG2-CD1 4.19Å; V143-I179 HydrophobicContact CG2-CG1 3.64Å; V143-L182 HydrophobicContact CG1-CD2 4.31Å; V143-T463 HydrophobicContact CG1-CG2 3.54Å
144P86.4Confident92.5Very high33 Ų3319 Ų1921%0.21412%0.122CC..Hα-helixtrans-45.4-52.7171.9-32.730.8000116.6L110 N142 V147 Y148 L458L110-P144 HydrophobicContact CD2-CB 4.11Å; N142-P144 WeakPolarHBondContact OD1-CB 3.46Å; N142-P144 WeakPolarHBondContact OD1-CD 3.49Å; N142-P144 VanDerWaalsContact OD1-CG 3.27Å; N142-P144 WeakPolarHBondContact OD1-CG 3.25Å; P144-V147 PolarHBondContact O-N 3.21Å; P144-Y148 WeakPolarHBondContact O-CB 3.48Å; P144-Y148 PolarHBondContact O-N 3.39Å; P144-L458 HydrophobicContact CB-CD1 3.11Å; P144-L458 HydrophobicContact CG-CD1 3.49Å; P144-L458 VanDerWaalsContact CG-CD1 3.49Å
145I92.1Very high92.3Very high0 Ų023.5 Ų23.50%015%0.147CC..Hα-helixtrans-71-38.9-177.5-67175.5000110.1I105 L110 V113 A137 N142 V143 V147 Y148 L149I105-I145 HydrophobicContact CD1-CG2 4.34Å; I105-I145 HydrophobicContact CG1-CG2 4Å; I105-I145 HydrophobicContact CG2-CG2 4.23Å; L110-I145 HydrophobicContact CB-CG1 4.34Å; L110-I145 HydrophobicContact CD1-CG1 4.01Å; V113-I145 HydrophobicContact CG1-CG2 4.39Å; V113-I145 HydrophobicContact CG2-CD1 4.09Å; V113-I145 HydrophobicContact CG2-CG1 4.49Å; A137-I145 HydrophobicContact CB-CB 4.42Å; A137-I145 HydrophobicContact CB-CG2 3.7Å; N142-I145 HydrophobicContact CB-CB 4.38Å; N142-I145 HydrophobicContact CB-CD1 4.32Å; N142-I145 WeakPolarHBondContact ND2-CD1 3.5Å; N142-I145 PolarHBondContact O-N 3.25Å; N142-I145 VanDerWaalsContact O-N 3.13Å; N142-I145 PolarHBondContact OD1-N 3.44Å; V143-I145 PolarHBondContact O-N 3.12Å; I145-V147 VanDerWaalsContact C-N 3.34Å; I145-V147 PolarHBondContact O-N 3.44Å; I145-Y148 PolarHBondContact O-N 3.48Å; I145-L149 HydrophobicContact CG2-CD1 3.84Å; I145-L149 HydrophobicContact CG2-CG 4.23Å; I145-L149 WeakPolarHBondContact O-CB 3.35Å; I145-L149 WeakPolarHBondContact O-CG 3.49Å; I145-L149 PolarHBondContact O-N 3.39Å
146I92.8Very high92.2Very high0 Ų023.9 Ų23.90%015%0.149CC..Hα-helixtrans-59-47.4176.4-63.2159.9000110.3F134 A137 I138 N142 V143 L149 L150 I179 L182F134-I146 HydrophobicContact CE2-CB 4.46Å; F134-I146 HydrophobicContact CE2-CG2 3.76Å; F134-I146 HydrophobicContact CZ-CG2 4.1Å; A137-I146 HydrophobicContact CB-CG1 3.99Å; I138-I146 HydrophobicContact CD1-CD1 3.66Å; I138-I146 HydrophobicContact CD1-CG1 3.79Å; I138-I146 HydrophobicContact CD1-CG2 3.86Å; N142-I146 WeakPolarHBondContact O-CD1 3.4Å; N142-I146 VanDerWaalsContact O-CG1 3.24Å; N142-I146 WeakPolarHBondContact O-CG1 3Å; N142-I146 PolarHBondContact O-N 2.89Å; V143-I146 PolarHBondContact O-N 3.23Å; I146-L149 PolarHBondContact O-N 2.85Å; I146-L150 HydrophobicContact CG2-CD1 3.92Å; I146-L150 WeakPolarHBondContact O-CB 3.43Å; I146-L150 VanDerWaalsContact O-CG 3.3Å; I146-L150 WeakPolarHBondContact O-CG 3.49Å; I146-L150 PolarHBondContact O-N 3.07Å; I146-I179 HydrophobicContact CD1-CD1 3.85Å; I146-I179 HydrophobicContact CD1-CG1 3.97Å; I146-I179 HydrophobicContact CD1-CG2 4.47Å; I146-L182 HydrophobicContact CB-CD2 4.21Å; I146-L182 HydrophobicContact CG2-CD2 3.59Å
147V87.9Confident92.2Very high0 Ų025.4 Ų25.40%016%0.157CC..Hα-helixtrans-60.6-45.7176.4170.50000111V143 P144 I145 L150 S151 L182 I421 L425 F461 F466V143-V147 HydrophobicContact CG1-CG2 4.16Å; V143-V147 WeakPolarHBondContact O-CG2 3.24Å; V143-V147 PolarHBondContact O-N 3.32Å; P144-V147 PolarHBondContact O-N 3.21Å; I145-V147 VanDerWaalsContact C-N 3.34Å; I145-V147 PolarHBondContact O-N 3.44Å; V147-L150 PolarHBondContact O-N 3.31Å; V147-S151 WeakPolarHBondContact O-CB 3.46Å; V147-S151 PolarHBondContact O-N 2.98Å; V147-S151 PolarHBondContact O-OG 3.12Å; V147-L182 HydrophobicContact CG2-CD1 3.9Å; V147-L182 HydrophobicContact CG2-CD2 3.64Å; V147-L182 HydrophobicContact CG2-CG 4.43Å; V147-I421 HydrophobicContact CG1-CG2 3.97Å; V147-L425 HydrophobicContact CG1-CD1 3.9Å; V147-F461 HydrophobicContact CG1-CE1 4.12Å; V147-F461 HydrophobicContact CG1-CZ 4.14Å; V147-F461 HydrophobicContact CG2-CE1 4.06Å; V147-F466 HydrophobicContact CG1-CE2 3.74Å; V147-F466 HydrophobicContact CG1-CZ 4.15Å; V147-F466 HydrophobicContact CG2-CE2 4.26Å
148Y89.4Confident92.2Very high1 Ų126.7 Ų26.70%0.00417%0.165CC..Hα-helixtrans-61-45.8180-175.3-101000112.3L110 V113 H114 M117 P144 I145 S151 H152 L425 D426 L429L110-Y148 HydrophobicContact CD1-CG 4.16Å; V113-Y148 HydrophobicContact CG1-CD1 3.97Å; V113-Y148 HydrophobicContact CG1-CE1 4.25Å; H114-Y148 HydrophobicContact CB-CE1 4.32Å; H114-Y148 HydrophobicContact CB-CE2 4.31Å; H114-Y148 AromaticContact ND1-CE2 3.54Å; H114-Y148 AromaticContact ND1-CZ 3.43Å; H114-Y148 PolarHBondContact ND1-OH 3.44Å; M117-Y148 HydrophobicContact CB-CE1 4.26Å; M117-Y148 HydrophobicContact CE-CE1 4.27Å; M117-Y148 HydrophobicContact CG-CE1 4.41Å; M117-Y148 HydrophobicContact SD-CD1 3.97Å; M117-Y148 HydrophobicContact SD-CE1 3.56Å; M117-Y148 VanDerWaalsContact SD-CE1 3.56Å; P144-Y148 WeakPolarHBondContact O-CB 3.48Å; P144-Y148 PolarHBondContact O-N 3.39Å; I145-Y148 PolarHBondContact O-N 3.48Å; Y148-S151 PolarHBondContact O-N 3.3Å; Y148-S151 PolarHBondContact O-OG 3.22Å; Y148-H152 AromaticContact CD2-CE1 3.77Å; Y148-H152 AromaticContact CD2-ND1 3.93Å; Y148-H152 AromaticContact CE1-ND1 3.99Å; Y148-H152 AromaticContact CE2-CE1 3.14Å; Y148-H152 WeakPolarHBondContact CE2-CE1 3.39Å; Y148-H152 AromaticContact CE2-ND1 3.68Å; Y148-H152 AromaticContact CE2-NE2 3.96Å; Y148-H152 AromaticContact CZ-CE1 3.28Å; Y148-H152 AromaticContact CZ-ND1 3.67Å; Y148-H152 AromaticContact CZ-NE2 3.73Å; Y148-H152 PolarHBondContact O-N 3.2Å; Y148-H152 PolarHBondContact O-ND1 3.42Å; Y148-H152 PolarHBondContact OH-CE1 2.82Å; Y148-H152 PolarHBondContact OH-NE2 3.45Å; Y148-L425 HydrophobicContact CD2-CB 4.09Å; Y148-L425 HydrophobicContact CD2-CD1 4.19Å; Y148-L425 HydrophobicContact CE2-CB 4.43Å; Y148-D426 VanDerWaalsContact CE2-OD1 3.31Å; Y148-D426 WeakPolarHBondContact CE2-OD1 3.43Å; Y148-D426 PolarHBondContact OH-OD1 3.46Å; Y148-D426 VanDerWaalsContact OH-OD1 3.08Å; Y148-L429 HydrophobicContact CD2-CD1 4.03Å; Y148-L429 HydrophobicContact CE2-CD1 4.02Å
149L94.1Very high92.1Very high0 Ų031.8 Ų31.80%019%0.185CC..Hα-helixtrans-64-45.6178-71172.5000111.6I105 M117 P123 F134 A137 I145 I146 S151 H152 V154I105-L149 HydrophobicContact CD1-CD1 4.25Å; M117-L149 HydrophobicContact CE-CD2 4.06Å; M117-L149 HydrophobicContact SD-CD2 3.47Å; M117-L149 WeakPolarHBondContact SD-CD2 3.45Å; P123-L149 HydrophobicContact CB-CD2 3.77Å; P123-L149 HydrophobicContact CG-CD2 4.42Å; F134-L149 HydrophobicContact CB-CD1 4.33Å; F134-L149 HydrophobicContact CD2-CB 3.8Å; F134-L149 HydrophobicContact CD2-CD1 3.86Å; F134-L149 HydrophobicContact CD2-CG 4.49Å; F134-L149 HydrophobicContact CE2-CB 4.28Å; A137-L149 HydrophobicContact CB-CD1 3.87Å; I145-L149 HydrophobicContact CG2-CD1 3.84Å; I145-L149 HydrophobicContact CG2-CG 4.23Å; I145-L149 WeakPolarHBondContact O-CB 3.35Å; I145-L149 WeakPolarHBondContact O-CG 3.49Å; I145-L149 PolarHBondContact O-N 3.39Å; I146-L149 PolarHBondContact O-N 2.85Å; L149-S151 VanDerWaalsContact C-N 3.33Å; L149-S151 PolarHBondContact O-N 2.97Å; L149-H152 CarbonylContact O-C 3.47Å; L149-H152 PolarHBondContact O-N 3.47Å; L149-H152 VanDerWaalsContact O-N 3.13Å; L149-V154 HydrophobicContact CB-CB 4.37Å; L149-V154 HydrophobicContact CB-CG2 4.08Å; L149-V154 HydrophobicContact CD2-CG2 4.39Å; L149-V154 VanDerWaalsContact O-CB 3.31Å; L149-V154 WeakPolarHBondContact O-CB 3.4Å; L149-V154 VanDerWaalsContact O-CG2 3.31Å; L149-V154 WeakPolarHBondContact O-CG2 3.3Å; L149-V154 PolarHBondContact O-N 2.97Å
150L91.2Very high92.1Very high3 Ų329.7 Ų29.72%0.01618%0.175CC..Hα-helixtrans-63.4-37.7177-73.9170.3000112.5F134 I146 V147 H152 G153 V154 V156 L182 Y186F134-L150 HydrophobicContact CE1-CD2 4.26Å; F134-L150 HydrophobicContact CE2-CD1 4.28Å; F134-L150 HydrophobicContact CE2-CD2 3.93Å; F134-L150 HydrophobicContact CE2-CG 3.66Å; F134-L150 HydrophobicContact CZ-CD1 4.08Å; F134-L150 HydrophobicContact CZ-CD2 3.51Å; F134-L150 HydrophobicContact CZ-CG 3.67Å; I146-L150 HydrophobicContact CG2-CD1 3.92Å; I146-L150 WeakPolarHBondContact O-CB 3.43Å; I146-L150 VanDerWaalsContact O-CG 3.3Å; I146-L150 WeakPolarHBondContact O-CG 3.49Å; I146-L150 PolarHBondContact O-N 3.07Å; V147-L150 PolarHBondContact O-N 3.31Å; L150-H152 PolarHBondContact O-N 3.45Å; L150-G153 PolarHBondContact O-N 3.32Å; L150-V154 WeakPolarHBondContact CD2-O 3.3Å; L150-V156 HydrophobicContact CD2-CB 3.87Å; L150-V156 HydrophobicContact CD2-CG2 4.13Å; L150-L182 HydrophobicContact CD1-CD2 4.42Å; L150-L182 HydrophobicContact CD1-CG 4.41Å; L150-Y186 HydrophobicContact CB-CD1 4.09Å; L150-Y186 HydrophobicContact CB-CE1 3.49Å; L150-Y186 VanDerWaalsContact CB-CE1 3.49Å; L150-Y186 HydrophobicContact CB-CE2 4.25Å; L150-Y186 VanDerWaalsContact CB-CZ 3.5Å; L150-Y186 WeakPolarHBondContact CB-OH 3.27Å; L150-Y186 HydrophobicContact CD1-CD1 4.13Å; L150-Y186 HydrophobicContact CD1-CD2 3.76Å; L150-Y186 HydrophobicContact CD1-CE1 4.15Å; L150-Y186 HydrophobicContact CD1-CE2 3.74Å; L150-Y186 HydrophobicContact CD1-CG 3.89Å; L150-Y186 HydrophobicContact CD2-CD1 4.23Å; L150-Y186 HydrophobicContact CD2-CE1 4.46Å; L150-Y186 HydrophobicContact CG-CD1 4.39Å; L150-Y186 HydrophobicContact CG-CE1 4.24Å
151S85.8Confident92Very high13 Ų1328.7 Ų28.79%0.09118%0.183CC..Hα-helixtrans-68.4-21.4176.875.20000112.5V147 Y148 L149 G153 A422V147-S151 WeakPolarHBondContact O-CB 3.46Å; V147-S151 PolarHBondContact O-N 2.98Å; V147-S151 PolarHBondContact O-OG 3.12Å; Y148-S151 PolarHBondContact O-N 3.3Å; Y148-S151 PolarHBondContact O-OG 3.22Å; L149-S151 VanDerWaalsContact C-N 3.33Å; L149-S151 PolarHBondContact O-N 2.97Å; S151-G153 VanDerWaalsContact C-N 3.33Å; S151-A422 WeakPolarHBondContact O-CB 3.19Å
152H89.5Confident91.9Very high67 Ų6732 Ų3231%0.3119%0.194SC..THydrogen-bonded Turntrans-95.123.9175.8-73.476.3000113.2M117 Y148 L149 L150 V154 D426M117-H152 HydrophobicContact CE-CB 3.78Å; Y148-H152 AromaticContact CD2-CE1 3.77Å; Y148-H152 AromaticContact CD2-ND1 3.93Å; Y148-H152 AromaticContact CE1-ND1 3.99Å; Y148-H152 AromaticContact CE2-CE1 3.14Å; Y148-H152 WeakPolarHBondContact CE2-CE1 3.39Å; Y148-H152 AromaticContact CE2-ND1 3.68Å; Y148-H152 AromaticContact CE2-NE2 3.96Å; Y148-H152 AromaticContact CZ-CE1 3.28Å; Y148-H152 AromaticContact CZ-ND1 3.67Å; Y148-H152 AromaticContact CZ-NE2 3.73Å; Y148-H152 PolarHBondContact O-N 3.2Å; Y148-H152 PolarHBondContact O-ND1 3.42Å; Y148-H152 PolarHBondContact OH-CE1 2.82Å; Y148-H152 PolarHBondContact OH-NE2 3.45Å; L149-H152 CarbonylContact O-C 3.47Å; L149-H152 PolarHBondContact O-N 3.47Å; L149-H152 VanDerWaalsContact O-N 3.13Å; L150-H152 PolarHBondContact O-N 3.45Å; H152-V154 PolarHBondContact O-N 2.97Å; H152-D426 IonicContact CE1-OD1 3.71Å; H152-D426 PolarHBondContact CE1-OD1 3.17Å; H152-D426 IonicContact CE1-OD2 3.56Å; H152-D426 IonicContact NE2-OD1 3.07Å; H152-D426 PolarHBondContact NE2-OD1 3.12Å; H152-D426 IonicContact NE2-OD2 3.26Å; H152-D426 PolarHBondContact NE2-OD2 3.26Å
153G88.8Confident92.1Very high68 Ų6831.8 Ų31.870%0.70120%0.197SC*.THydrogen-bonded Turntrans82.97.3169.800000115.3L150 S151 N155L150-G153 PolarHBondContact O-N 3.32Å; S151-G153 VanDerWaalsContact C-N 3.33Å; G153-N155 PolarHBondContact O-N 2.88Å
154V93.1Very high92.5Very high12 Ų1231.7 Ų31.77%0.07320%0.195CC..  trans-63.3125.5170.31760000109.5P123 M124 F134 L149 L150 H152 V156P123-V154 HydrophobicContact CB-CG2 4.23Å; P123-V154 HydrophobicContact CG-CG2 3.81Å; M124-V154 HydrophobicContact CE-CB 4.33Å; M124-V154 HydrophobicContact CE-CG1 3.6Å; M124-V154 HydrophobicContact CE-CG2 3.9Å; F134-V154 HydrophobicContact CB-CG1 3.77Å; F134-V154 HydrophobicContact CD1-CG1 3.95Å; F134-V154 HydrophobicContact CD2-CG1 4Å; F134-V154 HydrophobicContact CG-CG1 3.63Å; L149-V154 HydrophobicContact CB-CB 4.37Å; L149-V154 HydrophobicContact CB-CG2 4.08Å; L149-V154 HydrophobicContact CD2-CG2 4.39Å; L149-V154 VanDerWaalsContact O-CB 3.31Å; L149-V154 WeakPolarHBondContact O-CB 3.4Å; L149-V154 VanDerWaalsContact O-CG2 3.31Å; L149-V154 WeakPolarHBondContact O-CG2 3.3Å; L149-V154 PolarHBondContact O-N 2.97Å; L150-V154 WeakPolarHBondContact CD2-O 3.3Å; H152-V154 PolarHBondContact O-N 2.97Å; V154-V156 PolarHBondContact O-N 3.3Å
155N94.7Very high93Very high96 Ų9630.1 Ų30.151%0.51319%0.185SC..  trans-65.4128179.2-172.4-21.4000110.8G153 D157 T158G153-N155 PolarHBondContact O-N 2.88Å; N155-D157 PolarHBondContact O-N 3.41Å; N155-D157 PolarHBondContact OD1-N 3.07Å; N155-T158 WeakPolarHBondContact O-CB 3.45Å; N155-T158 WeakPolarHBondContact O-CG2 3.36Å; N155-T158 PolarHBondContact O-N 2.91Å; N155-T158 VanDerWaalsContact O-N 3.1Å
156V95.1Very high93.3Very high14 Ų1430.1 Ų30.19%0.08519%0.185CC..THydrogen-bonded Turntrans-60.5-25.6177.771.10000113.4L150 V154 P166 L183 A188L150-V156 HydrophobicContact CD2-CB 3.87Å; L150-V156 HydrophobicContact CD2-CG2 4.13Å; V154-V156 PolarHBondContact O-N 3.3Å; V156-P166 WeakPolarHBondContact O-CG 3.41Å; V156-L183 HydrophobicContact CG2-CB 4.27Å; V156-L183 HydrophobicContact CG2-CD2 3.65Å; V156-A188 HydrophobicContact CG1-CB 4.41Å; V156-A188 HydrophobicContact CG2-CB 3.87Å
157D97.6Very high93.5Very high31 Ų3130.2 Ų30.217%0.16619%0.186CC..THydrogen-bonded Turntrans-106.921.1178.8-70.5-33.5000112.6N155 A188 N189 L192N155-D157 PolarHBondContact O-N 3.41Å; N155-D157 PolarHBondContact OD1-N 3.07Å; D157-A188 WeakPolarHBondContact OD1-CA 3.45Å; D157-N189 PolarHBondContact OD1-N 3.27Å; D157-N189 WeakPolarHBondContact OD2-CB 3.26Å; D157-N189 PolarHBondContact OD2-N 3.22Å; D157-L192 HydrophobicContact CB-CD1 3.71Å
158T96.5Very high94Very high27 Ų2730.3 Ų30.317%0.16619%0.186CC..  trans-53.2148.4172-169.30000110.6F134 N155 P166F134-T158 HydrophobicContact CB-CG2 4.44Å; F134-T158 HydrophobicContact CD1-CG2 3.67Å; F134-T158 HydrophobicContact CE1-CG2 4.49Å; F134-T158 HydrophobicContact CG-CG2 4.48Å; N155-T158 WeakPolarHBondContact O-CB 3.45Å; N155-T158 WeakPolarHBondContact O-CG2 3.36Å; N155-T158 PolarHBondContact O-N 2.91Å; N155-T158 VanDerWaalsContact O-N 3.1Å; T158-P166 HydrophobicContact CG2-CG 3.88Å; T158-P166 WeakPolarHBondContact O-CD 3.43Å
159R96.7Very high94.4Very high108 Ų10830.5 Ų30.541%0.40819%0.187SC..  trans-109.6139.3-178.1-72.2-176.5179-119.67.3110.1H135 G163 L164 T193H135-R159 VanDerWaalsContact CE1-C 3.49Å; H135-R159 PolarHBondContact CE1-O 3.32Å; R159-G163 PolarHBondContact NH1-O 3.19Å; R159-L164 WeakPolarHBondContact CA-O 3.33Å; R159-T193 PolarHBondContact NH1-O 3.03Å; R159-T193 PolarHBondContact NH2-O 3.39Å; R159-T193 VanDerWaalsContact NH2-O 3.08Å
160D95.6Very high94.6Very high11 Ų1130.5 Ų30.56%0.05919%0.187CC..  trans-75.8177.8168.780.8-8.6000111.1G130 L131 H135 N162 G163 L164 I169G130-D160 CarbonylContact O-C 3.51Å; G130-D160 WeakPolarHBondContact O-CA 3.44Å; G130-D160 WeakPolarHBondContact O-CB 3.41Å; L131-D160 HydrophobicContact CD2-CB 4.02Å; H135-D160 PolarHBondContact CE1-N 2.93Å; H135-D160 PolarHBondContact NE2-N 3.38Å; D160-N162 PolarHBondContact O-N 2.86Å; D160-N162 VanDerWaalsContact O-N 3.08Å; D160-N162 WeakPolarHBondContact OD1-CA 3.48Å; D160-N162 WeakPolarHBondContact OD1-CB 3.47Å; D160-N162 PolarHBondContact OD1-N 3.27Å; D160-G163 PolarHBondContact O-N 3.44Å; D160-G163 PolarHBondContact OD1-N 3.11Å; D160-L164 PolarHBondContact N-O 3.15Å; D160-L164 WeakPolarHBondContact OD1-CB 3.36Å; D160-L164 PolarHBondContact OD1-N 3.32Å; D160-I169 HydrophobicContact CB-CD1 4.37Å
161G93.6Very high94.9Very high51 Ų5130.3 Ų30.353%0.52619%0.187SC..THydrogen-bonded Turntrans-60.8-1517800000114.7G130G130-G161 PolarHBondContact O-N 3.04Å
162N90.3Very high95.5Very high99 Ų9932 Ų3253%0.52919%0.194SC..THydrogen-bonded Turntrans-99.11.4175.2-58.1-57.5000112.6D160 L164D160-N162 PolarHBondContact O-N 2.86Å; D160-N162 VanDerWaalsContact O-N 3.08Å; D160-N162 WeakPolarHBondContact OD1-CA 3.48Å; D160-N162 WeakPolarHBondContact OD1-CB 3.47Å; D160-N162 PolarHBondContact OD1-N 3.27Å; N162-L164 HydrophobicContact CB-CG 4.17Å
163G94.1Very high95.8Very high16 Ų1633.4 Ų33.417%0.16520%0.2CC..SBendtrans80.911.7-178.200000114.5R159 D160R159-G163 PolarHBondContact NH1-O 3.19Å; D160-G163 PolarHBondContact O-N 3.44Å; D160-G163 PolarHBondContact OD1-N 3.11Å
164L97.4Very high96.2Very high15 Ų1530.5 Ų30.58%0.07917%0.169CC..  trans-80139.7-179.9-55-176.1000111.2R159 D160 N162 M168 I169 M172 D194 Y203R159-L164 WeakPolarHBondContact CA-O 3.33Å; D160-L164 PolarHBondContact N-O 3.15Å; D160-L164 WeakPolarHBondContact OD1-CB 3.36Å; D160-L164 PolarHBondContact OD1-N 3.32Å; N162-L164 HydrophobicContact CB-CG 4.17Å; L164-M168 HydrophobicContact CB-CB 4.46Å; L164-M168 HydrophobicContact CD2-SD 4.19Å; L164-I169 HydrophobicContact CB-CD1 4.48Å; L164-I169 HydrophobicContact CB-CG1 4.09Å; L164-I169 HydrophobicContact CD1-CG1 4.44Å; L164-M172 HydrophobicContact CD1-SD 3.98Å; L164-D194 HydrophobicContact CD2-CB 3.65Å; L164-Y203 HydrophobicContact CD2-CE1 4.31Å; L164-Y203 HydrophobicContact CD2-CE2 4.3Å; L164-Y203 WeakPolarHBondContact CD2-OH 3.32Å
165T97.5Very high96.2Very high1 Ų136.2 Ų36.21%0.00619%0.189CC..  trans-83.9154.8171.570.20000111L167 M168 I169 L192T165-L167 PolarHBondContact O-N 2.94Å; T165-L167 VanDerWaalsContact O-N 3.07Å; T165-M168 HydrophobicContact CG2-CE 4.39Å; T165-M168 HydrophobicContact CG2-SD 4.41Å; T165-M168 WeakPolarHBondContact O-CA 3.44Å; T165-M168 WeakPolarHBondContact O-CB 3.49Å; T165-M168 PolarHBondContact O-N 3.46Å; T165-M168 WeakPolarHBondContact OG1-CG 3.26Å; T165-M168 PolarHBondContact OG1-N 3.17Å; T165-I169 PolarHBondContact O-N 2.95Å; T165-L192 HydrophobicContact CG2-CB 4Å; T165-L192 HydrophobicContact CG2-CD1 3.79Å
166P97.6Very high96.1Very high0 Ų033.8 Ų33.80%018%0.179CC..Hα-helixtrans-44.9-38.2170.3-38.437.5000113.9F134 I138 V156 T158 I169 A170 L183F134-P166 HydrophobicContact CD1-CB 4.11Å; F134-P166 HydrophobicContact CD1-CG 3.49Å; F134-P166 VanDerWaalsContact CD1-CG 3.49Å; F134-P166 HydrophobicContact CE1-CB 3.64Å; F134-P166 HydrophobicContact CE1-CG 3.39Å; I138-P166 HydrophobicContact CG1-CB 4.1Å; V156-P166 WeakPolarHBondContact O-CG 3.41Å; T158-P166 HydrophobicContact CG2-CG 3.88Å; T158-P166 WeakPolarHBondContact O-CD 3.43Å; P166-I169 PolarHBondContact O-N 3.34Å; P166-A170 WeakPolarHBondContact O-CB 3.31Å; P166-A170 PolarHBondContact O-N 2.69Å; P166-L183 HydrophobicContact CB-CD1 4.38Å; P166-L183 HydrophobicContact CB-CD2 4.32Å
167L97.6Very high95.8Very high2 Ų234.5 Ų34.51%0.0118%0.184CC..Hα-helixtrans-71.1-33.8179.2-162.167.7000112.8T165 C171 F180 L183 A188 L190 V200 L216T165-L167 PolarHBondContact O-N 2.94Å; T165-L167 VanDerWaalsContact O-N 3.07Å; L167-C171 PolarHBondContact O-N 3.48Å; L167-C171 VanDerWaalsContact O-N 3.14Å; L167-C171 PolarHBondContact O-SG 2.75Å; L167-F180 HydrophobicContact CD1-CD1 3.84Å; L167-L183 HydrophobicContact CB-CD1 4.26Å; L167-L183 HydrophobicContact CD1-CB 3.84Å; L167-L183 HydrophobicContact CD1-CD1 3.63Å; L167-L183 HydrophobicContact CD1-CG 4.4Å; L167-A188 HydrophobicContact CD2-CB 4.31Å; L167-L190 HydrophobicContact CD2-CD2 3.31Å; L167-V200 HydrophobicContact CB-CG2 4.24Å; L167-V200 HydrophobicContact CD2-CB 4.24Å; L167-V200 HydrophobicContact CD2-CG1 4.18Å; L167-V200 HydrophobicContact CD2-CG2 3.74Å; L167-V200 HydrophobicContact CG-CG2 3.62Å; L167-L216 HydrophobicContact CD2-CD2 3.87Å; L167-L216 HydrophobicContact CG-CD2 4.45Å
168M98.2Very high95.4Very high1 Ų136 Ų361%0.00519%0.192CC..Hα-helixtrans-67.7-45.8171.5-64.4167.7-178.600110.8L164 T165 A170 C171 M172 L192 D194 N198 V200 Y203L164-M168 HydrophobicContact CB-CB 4.46Å; L164-M168 HydrophobicContact CD2-SD 4.19Å; T165-M168 HydrophobicContact CG2-CE 4.39Å; T165-M168 HydrophobicContact CG2-SD 4.41Å; T165-M168 WeakPolarHBondContact O-CA 3.44Å; T165-M168 WeakPolarHBondContact O-CB 3.49Å; T165-M168 PolarHBondContact O-N 3.46Å; T165-M168 WeakPolarHBondContact OG1-CG 3.26Å; T165-M168 PolarHBondContact OG1-N 3.17Å; M168-A170 VanDerWaalsContact C-N 3.29Å; M168-A170 PolarHBondContact O-N 3Å; M168-C171 WeakPolarHBondContact O-CA 3.39Å; M168-C171 VanDerWaalsContact O-CB 3.3Å; M168-C171 WeakPolarHBondContact O-CB 3.42Å; M168-C171 PolarHBondContact O-N 3.28Å; M168-M172 WeakPolarHBondContact O-CG 3.37Å; M168-M172 PolarHBondContact O-N 2.69Å; M168-L192 WeakPolarHBondContact CE-O 3.28Å; M168-D194 HydrophobicContact SD-CB 4.33Å; M168-N198 WeakPolarHBondContact CE-O 3.26Å; M168-V200 HydrophobicContact CG-CB 4.47Å; M168-Y203 HydrophobicContact CB-CD1 4.25Å; M168-Y203 HydrophobicContact CB-CD2 4.11Å; M168-Y203 HydrophobicContact CB-CE2 4.39Å; M168-Y203 HydrophobicContact CB-CG 4.06Å; M168-Y203 HydrophobicContact CG-CD2 3.86Å; M168-Y203 HydrophobicContact CG-CE2 4.2Å; M168-Y203 HydrophobicContact CG-CG 4.24Å; M168-Y203 HydrophobicContact SD-CD2 4.25Å; M168-Y203 HydrophobicContact SD-CE2 4.05Å
169I97.7Very high95.2Very high5 Ų534.7 Ų34.73%0.02618%0.184CC..Hα-helixtrans-59.7-40.7175.3-62.1-177.7000110.8L131 H135 I138 D160 L164 T165 P166 C171 M172 H173L131-I169 HydrophobicContact CD2-CD1 4.1Å; H135-I169 HydrophobicContact CB-CD1 3.68Å; H135-I169 VanDerWaalsContact CD2-CD1 3.44Å; H135-I169 WeakPolarHBondContact CD2-CD1 3.46Å; I138-I169 HydrophobicContact CB-CG2 4.49Å; I138-I169 HydrophobicContact CG2-CB 4.38Å; I138-I169 HydrophobicContact CG2-CG2 4.08Å; D160-I169 HydrophobicContact CB-CD1 4.37Å; L164-I169 HydrophobicContact CB-CD1 4.48Å; L164-I169 HydrophobicContact CB-CG1 4.09Å; L164-I169 HydrophobicContact CD1-CG1 4.44Å; T165-I169 PolarHBondContact O-N 2.95Å; P166-I169 PolarHBondContact O-N 3.34Å; I169-C171 VanDerWaalsContact C-N 3.31Å; I169-C171 PolarHBondContact O-N 3.41Å; I169-M172 WeakPolarHBondContact O-CB 3.35Å; I169-M172 PolarHBondContact O-N 2.92Å; I169-M172 VanDerWaalsContact O-N 3.12Å; I169-H173 PolarHBondContact O-CD2 3.36Å; I169-H173 PolarHBondContact O-N 3.38Å
170A98.1Very high95.1Very high0 Ų029.5 Ų29.50%016%0.164CC..Hα-helixtrans-60.3-40.2174.100000111.8I138 P166 M168 M172 V174 I179 F180 L183I138-A170 HydrophobicContact CG2-CB 3.75Å; P166-A170 WeakPolarHBondContact O-CB 3.31Å; P166-A170 PolarHBondContact O-N 2.69Å; M168-A170 VanDerWaalsContact C-N 3.29Å; M168-A170 PolarHBondContact O-N 3Å; A170-M172 PolarHBondContact O-N 3.26Å; A170-V174 HydrophobicContact CB-CB 4.48Å; A170-V174 WeakPolarHBondContact O-CA 3.34Å; A170-V174 WeakPolarHBondContact O-CB 3.49Å; A170-V174 PolarHBondContact O-N 3.3Å; A170-I179 HydrophobicContact CB-CG2 4.09Å; A170-F180 HydrophobicContact CB-CD1 4.35Å; A170-F180 HydrophobicContact CB-CE1 3.69Å; A170-F180 HydrophobicContact CB-CZ 4.03Å; A170-L183 HydrophobicContact CB-CD1 4.32Å
171C98.3Very high94.7Very high0 Ų032.3 Ų32.30%017%0.174CC..Hα-helixtrans-60.4-35.9175.3-690000112.4L167 M168 I169 V200 F207 N209L167-C171 PolarHBondContact O-N 3.48Å; L167-C171 VanDerWaalsContact O-N 3.14Å; L167-C171 PolarHBondContact O-SG 2.75Å; M168-C171 WeakPolarHBondContact O-CA 3.39Å; M168-C171 VanDerWaalsContact O-CB 3.3Å; M168-C171 WeakPolarHBondContact O-CB 3.42Å; M168-C171 PolarHBondContact O-N 3.28Å; I169-C171 VanDerWaalsContact C-N 3.31Å; I169-C171 PolarHBondContact O-N 3.41Å; C171-V200 VanDerWaalsContact SG-CG2 3.56Å; C171-F207 WeakPolarHBondContact O-CB 3.4Å; C171-N209 PolarHBondContact O-ND2 3.26Å
172M97.3Very high94.4Very high49 Ų4929.9 Ų29.924%0.24115%0.149CC..Hα-helixtrans-72.9-48.3-179.7-62.5172.362.700112.6L164 M168 I169 A170 Y203 F207L164-M172 HydrophobicContact CD1-SD 3.98Å; M168-M172 WeakPolarHBondContact O-CG 3.37Å; M168-M172 PolarHBondContact O-N 2.69Å; I169-M172 WeakPolarHBondContact O-CB 3.35Å; I169-M172 PolarHBondContact O-N 2.92Å; I169-M172 VanDerWaalsContact O-N 3.12Å; A170-M172 PolarHBondContact O-N 3.26Å; M172-Y203 HydrophobicContact CG-CD1 3.82Å; M172-Y203 HydrophobicContact CG-CE1 4.16Å; M172-Y203 HydrophobicContact SD-CD1 3.96Å; M172-Y203 HydrophobicContact SD-CE1 3.7Å; M172-F207 HydrophobicContact CB-CD1 4.34Å; M172-F207 HydrophobicContact CB-CD2 4.47Å; M172-F207 HydrophobicContact CB-CE1 4.29Å; M172-F207 HydrophobicContact CB-CE2 4.46Å; M172-F207 HydrophobicContact CB-CG 4.43Å; M172-F207 HydrophobicContact CB-CZ 4.36Å; M172-F207 HydrophobicContact CE-CE1 4.44Å; M172-F207 HydrophobicContact CE-CZ 3.93Å; M172-F207 HydrophobicContact CG-CD1 4.32Å; M172-F207 HydrophobicContact CG-CD2 3.74Å; M172-F207 HydrophobicContact CG-CE1 4.06Å; M172-F207 HydrophobicContact CG-CE2 3.48Å; M172-F207 VanDerWaalsContact CG-CE2 3.48Å; M172-F207 HydrophobicContact CG-CG 4.18Å; M172-F207 HydrophobicContact CG-CZ 3.64Å; M172-F207 HydrophobicContact SD-CE2 4.32Å; M172-F207 HydrophobicContact SD-CZ 4.29Å
173H96.7Very high94.5Very high95 Ų9525.2 Ų25.244%0.4412%0.124SC..Hα-helixtrans-110.8-18-163.7-62.5-69.3000114.8Q139 I169Q139-H173 HydrophobicContact CG-CB 4.05Å; I169-H173 PolarHBondContact O-CD2 3.36Å; I169-H173 PolarHBondContact O-N 3.38Å
174V95.7Very high94.4Very high8 Ų826.7 Ų26.75%0.04813%0.128CC..  trans-117.8141.1-168.21760000111.8I138 A170 I179 N209I138-V174 HydrophobicContact CG2-CG2 4.45Å; I138-V174 WeakPolarHBondContact O-CG2 3.32Å; A170-V174 HydrophobicContact CB-CB 4.48Å; A170-V174 WeakPolarHBondContact O-CA 3.34Å; A170-V174 WeakPolarHBondContact O-CB 3.49Å; A170-V174 PolarHBondContact O-N 3.3Å; V174-I179 HydrophobicContact CG1-CB 4.15Å; V174-I179 HydrophobicContact CG1-CD1 3.53Å; V174-I179 HydrophobicContact CG1-CG1 4.32Å; V174-I179 HydrophobicContact CG1-CG2 4.46Å; V174-I179 HydrophobicContact CG2-CD1 4.23Å; V174-N209 PolarHBondContact O-ND2 2.85Å
175R94.5Very high93.7Very high131 Ų13129.1 Ų29.149%0.49415%0.146SC..  trans-1151.6171.8-55.5-64.5165.9148.2-13.9113.5V177 F207 A208R175-V177 PolarHBondContact O-N 3.48Å; R175-F207 PolarHBondContact NH2-O 3.16Å; R175-A208 PolarHBondContact NH1-O 3.26Å
176S91.3Very high93.2Very high45 Ų4530.5 Ų30.532%0.31515%0.151SC..  trans-73.9121.8177.8-178.60000111.6D178 I179 F180S176-D178 PolarHBondContact O-N 2.88Å; S176-D178 PolarHBondContact OG-N 2.63Å; S176-I179 PolarHBondContact O-N 2.87Å; S176-F180 VanDerWaalsContact O-CD2 3.23Å; S176-F180 WeakPolarHBondContact O-CD2 3.14Å
177V90.2Very high92.8Very high30 Ų3033 Ų3318%0.18218%0.177CC..Hα-helixtrans-59.6-34.7174.6166.30000112R175 I179 F180 R181 Q211 Q215R175-V177 PolarHBondContact O-N 3.48Å; V177-I179 VanDerWaalsContact C-N 3.29Å; V177-I179 PolarHBondContact O-N 3.42Å; V177-F180 PolarHBondContact O-N 3.28Å; V177-R181 HydrophobicContact CG1-CG 4.21Å; V177-R181 VanDerWaalsContact CG1-CZ 3.46Å; V177-R181 VanDerWaalsContact CG1-NE 3.27Å; V177-R181 WeakPolarHBondContact O-CG 3.44Å; V177-R181 PolarHBondContact O-N 3.06Å; V177-R181 VanDerWaalsContact O-N 3.08Å; V177-Q211 HydrophobicContact CG2-CB 4Å; V177-Q211 HydrophobicContact CG2-CG 4.15Å; V177-Q215 HydrophobicContact CG1-CG 3.84Å
178D87.7Confident92.7Very high61 Ų6133.2 Ų33.233%0.32618%0.179SC..Hα-helixtrans-66.1-32.6-173.9-66.8-27.8000112V143 S176 R181 L182V143-D178 HydrophobicContact CG2-CB 4.35Å; S176-D178 PolarHBondContact O-N 2.88Å; S176-D178 PolarHBondContact OG-N 2.63Å; D178-R181 PolarHBondContact O-N 3.45Å; D178-L182 WeakPolarHBondContact O-CB 3.27Å; D178-L182 PolarHBondContact O-N 2.87Å
179I92.7Very high92.6Very high0 Ų036.5 Ų36.50%020%0.197CC..Hα-helixtrans-68.8-45.2178.9-69.7173.4000110.9I138 G141 V143 I146 A170 V174 S176 V177 R181 L182 L183I138-I179 HydrophobicContact CD1-CG2 4.15Å; G141-I179 VanDerWaalsContact CA-CD1 3.41Å; V143-I179 HydrophobicContact CG2-CD1 4.19Å; V143-I179 HydrophobicContact CG2-CG1 3.64Å; I146-I179 HydrophobicContact CD1-CD1 3.85Å; I146-I179 HydrophobicContact CD1-CG1 3.97Å; I146-I179 HydrophobicContact CD1-CG2 4.47Å; A170-I179 HydrophobicContact CB-CG2 4.09Å; V174-I179 HydrophobicContact CG1-CB 4.15Å; V174-I179 HydrophobicContact CG1-CD1 3.53Å; V174-I179 HydrophobicContact CG1-CG1 4.32Å; V174-I179 HydrophobicContact CG1-CG2 4.46Å; V174-I179 HydrophobicContact CG2-CD1 4.23Å; S176-I179 PolarHBondContact O-N 2.87Å; V177-I179 VanDerWaalsContact C-N 3.29Å; V177-I179 PolarHBondContact O-N 3.42Å; I179-R181 PolarHBondContact O-N 2.81Å; I179-L182 PolarHBondContact O-N 2.73Å; I179-L183 HydrophobicContact CG2-CD1 4.05Å; I179-L183 HydrophobicContact CG2-CG 4.45Å; I179-L183 WeakPolarHBondContact O-CG 3.43Å; I179-L183 PolarHBondContact O-N 3.02Å
180F94.3Very high92.6Very high0 Ų037 Ų370%020%0.2CC..Hα-helixtrans-62-45.4175.8-63.1-73.2000111.4L167 A170 S176 V177 L182 I184 A212 Q215L167-F180 HydrophobicContact CD1-CD1 3.84Å; A170-F180 HydrophobicContact CB-CD1 4.35Å; A170-F180 HydrophobicContact CB-CE1 3.69Å; A170-F180 HydrophobicContact CB-CZ 4.03Å; S176-F180 VanDerWaalsContact O-CD2 3.23Å; S176-F180 WeakPolarHBondContact O-CD2 3.14Å; V177-F180 PolarHBondContact O-N 3.28Å; F180-L182 VanDerWaalsContact C-N 3.34Å; F180-L182 PolarHBondContact O-N 2.9Å; F180-I184 WeakPolarHBondContact O-CB 3.43Å; F180-I184 WeakPolarHBondContact O-CD1 3.4Å; F180-I184 WeakPolarHBondContact O-CG1 3.21Å; F180-I184 PolarHBondContact O-N 2.88Å; F180-A212 HydrophobicContact CD1-CB 4Å; F180-A212 HydrophobicContact CD2-CB 4.41Å; F180-A212 HydrophobicContact CE1-CB 3.47Å; F180-A212 VanDerWaalsContact CE1-CB 3.47Å; F180-A212 HydrophobicContact CE2-CB 3.93Å; F180-A212 HydrophobicContact CG-CB 4.46Å; F180-A212 HydrophobicContact CZ-CB 3.44Å; F180-A212 VanDerWaalsContact CZ-CB 3.44Å; F180-Q215 HydrophobicContact CB-CB 3.77Å; F180-Q215 HydrophobicContact CB-CG 3.96Å
181R88Confident92.5Very high70 Ų7041.7 Ų41.726%0.26422%0.217SC..Hα-helixtrans-60.2-45.1176.2-71.7-175.4-170.4169.38.4111.8V177 D178 I179 I184 S185 Q215V177-R181 HydrophobicContact CG1-CG 4.21Å; V177-R181 VanDerWaalsContact CG1-CZ 3.46Å; V177-R181 VanDerWaalsContact CG1-NE 3.27Å; V177-R181 WeakPolarHBondContact O-CG 3.44Å; V177-R181 PolarHBondContact O-N 3.06Å; V177-R181 VanDerWaalsContact O-N 3.08Å; D178-R181 PolarHBondContact O-N 3.45Å; I179-R181 PolarHBondContact O-N 2.81Å; R181-I184 PolarHBondContact O-N 2.9Å; R181-S185 VanDerWaalsContact O-CB 3.25Å; R181-S185 WeakPolarHBondContact O-CB 3.49Å; R181-S185 PolarHBondContact O-N 2.59Å; R181-S185 PolarHBondContact O-OG 3.09Å; R181-Q215 HydrophobicContact CG-CG 4.18Å
182L87.6Confident92.4Very high0 Ų043.7 Ų43.70%023%0.227CC..Hα-helixtrans-59.8-54.4-179.8-177.769.6000110.7V143 I146 V147 L150 D178 I179 F180 I184 S185 Y186 F466V143-L182 HydrophobicContact CG1-CD2 4.31Å; I146-L182 HydrophobicContact CB-CD2 4.21Å; I146-L182 HydrophobicContact CG2-CD2 3.59Å; V147-L182 HydrophobicContact CG2-CD1 3.9Å; V147-L182 HydrophobicContact CG2-CD2 3.64Å; V147-L182 HydrophobicContact CG2-CG 4.43Å; L150-L182 HydrophobicContact CD1-CD2 4.42Å; L150-L182 HydrophobicContact CD1-CG 4.41Å; D178-L182 WeakPolarHBondContact O-CB 3.27Å; D178-L182 PolarHBondContact O-N 2.87Å; I179-L182 PolarHBondContact O-N 2.73Å; F180-L182 VanDerWaalsContact C-N 3.34Å; F180-L182 PolarHBondContact O-N 2.9Å; L182-I184 PolarHBondContact O-N 3.37Å; L182-S185 WeakPolarHBondContact CA-OG 3.23Å; L182-S185 PolarHBondContact O-N 2.9Å; L182-S185 VanDerWaalsContact O-N 3.14Å; L182-S185 PolarHBondContact O-OG 3.47Å; L182-Y186 HydrophobicContact CD1-CD2 3.95Å; L182-Y186 HydrophobicContact CD1-CE2 3.72Å; L182-Y186 HydrophobicContact CG-CD2 4.25Å; L182-Y186 HydrophobicContact CG-CE2 4.32Å; L182-Y186 WeakPolarHBondContact O-CD2 3.43Å; L182-Y186 PolarHBondContact O-N 3.32Å; L182-F466 HydrophobicContact CD1-CD2 3.9Å; L182-F466 HydrophobicContact CD1-CE2 4.12Å
183L93Very high92.4Very high0 Ų043.9 Ų43.90%023%0.232CC..Hα-helixtrans-58.8-45.6179.6-67.8175.2000111.9F134 I138 V156 P166 L167 A170 I179 S185 Y186 G187 A188F134-L183 HydrophobicContact CE1-CD2 4.35Å; F134-L183 HydrophobicContact CZ-CD2 3.95Å; I138-L183 HydrophobicContact CD1-CD1 4.08Å; I138-L183 HydrophobicContact CD1-CD2 4.05Å; I138-L183 HydrophobicContact CD1-CG 4.41Å; V156-L183 HydrophobicContact CG2-CB 4.27Å; V156-L183 HydrophobicContact CG2-CD2 3.65Å; P166-L183 HydrophobicContact CB-CD1 4.38Å; P166-L183 HydrophobicContact CB-CD2 4.32Å; L167-L183 HydrophobicContact CB-CD1 4.26Å; L167-L183 HydrophobicContact CD1-CB 3.84Å; L167-L183 HydrophobicContact CD1-CD1 3.63Å; L167-L183 HydrophobicContact CD1-CG 4.4Å; A170-L183 HydrophobicContact CB-CD1 4.32Å; I179-L183 HydrophobicContact CG2-CD1 4.05Å; I179-L183 HydrophobicContact CG2-CG 4.45Å; I179-L183 WeakPolarHBondContact O-CG 3.43Å; I179-L183 PolarHBondContact O-N 3.02Å; L183-S185 VanDerWaalsContact C-N 3.33Å; L183-S185 PolarHBondContact O-N 2.93Å; L183-Y186 PolarHBondContact O-N 2.58Å; L183-G187 PolarHBondContact O-N 3.33Å; L183-A188 HydrophobicContact CB-CB 4.11Å; L183-A188 WeakPolarHBondContact O-CB 3.19Å; L183-A188 PolarHBondContact O-N 3.01Å
184I91.2Very high92.4Very high48 Ų4839.8 Ų39.825%0.24621%0.213CC..Hα-helixtrans-62-41.6176.6-66.4166.6000111F180 R181 L182 Y186 G187 L190 Q215 L216F180-I184 WeakPolarHBondContact O-CB 3.43Å; F180-I184 WeakPolarHBondContact O-CD1 3.4Å; F180-I184 WeakPolarHBondContact O-CG1 3.21Å; F180-I184 PolarHBondContact O-N 2.88Å; R181-I184 PolarHBondContact O-N 2.9Å; L182-I184 PolarHBondContact O-N 3.37Å; I184-Y186 PolarHBondContact O-N 3.35Å; I184-G187 PolarHBondContact O-N 2.92Å; I184-L190 HydrophobicContact CG1-CD2 4.23Å; I184-Q215 HydrophobicContact CD1-CB 4.46Å; I184-L216 HydrophobicContact CD1-CD2 4.25Å
185S83Confident92.3Very high66 Ų6643.4 Ų43.446%0.46224%0.239SC..Hα-helixtrans-65.8-27.8179.1720000113.2R181 L182 L183 G187R181-S185 VanDerWaalsContact O-CB 3.25Å; R181-S185 WeakPolarHBondContact O-CB 3.49Å; R181-S185 PolarHBondContact O-N 2.59Å; R181-S185 PolarHBondContact O-OG 3.09Å; L182-S185 WeakPolarHBondContact CA-OG 3.23Å; L182-S185 PolarHBondContact O-N 2.9Å; L182-S185 VanDerWaalsContact O-N 3.14Å; L182-S185 PolarHBondContact O-OG 3.47Å; L183-S185 VanDerWaalsContact C-N 3.33Å; L183-S185 PolarHBondContact O-N 2.93Å; S185-G187 PolarHBondContact O-N 3.12Å
186Y86.2Confident92.3Very high29 Ų2942.6 Ų42.611%0.11424%0.24CC..THydrogen-bonded Turntrans-81.41.3172.3-94.2-93.9000114L150 L182 L183 I184 Q418 F466L150-Y186 HydrophobicContact CB-CD1 4.09Å; L150-Y186 HydrophobicContact CB-CE1 3.49Å; L150-Y186 VanDerWaalsContact CB-CE1 3.49Å; L150-Y186 HydrophobicContact CB-CE2 4.25Å; L150-Y186 VanDerWaalsContact CB-CZ 3.5Å; L150-Y186 WeakPolarHBondContact CB-OH 3.27Å; L150-Y186 HydrophobicContact CD1-CD1 4.13Å; L150-Y186 HydrophobicContact CD1-CD2 3.76Å; L150-Y186 HydrophobicContact CD1-CE1 4.15Å; L150-Y186 HydrophobicContact CD1-CE2 3.74Å; L150-Y186 HydrophobicContact CD1-CG 3.89Å; L150-Y186 HydrophobicContact CD2-CD1 4.23Å; L150-Y186 HydrophobicContact CD2-CE1 4.46Å; L150-Y186 HydrophobicContact CG-CD1 4.39Å; L150-Y186 HydrophobicContact CG-CE1 4.24Å; L182-Y186 HydrophobicContact CD1-CD2 3.95Å; L182-Y186 HydrophobicContact CD1-CE2 3.72Å; L182-Y186 HydrophobicContact CG-CD2 4.25Å; L182-Y186 HydrophobicContact CG-CE2 4.32Å; L182-Y186 WeakPolarHBondContact O-CD2 3.43Å; L182-Y186 PolarHBondContact O-N 3.32Å; L183-Y186 PolarHBondContact O-N 2.58Å; I184-Y186 PolarHBondContact O-N 3.35Å; Y186-Q418 VanDerWaalsContact CD1-NE2 3.25Å; Y186-Q418 HydrophobicContact CE1-CG 3.86Å; Y186-F466 HydrophobicContact CD2-CE2 4.48Å; Y186-F466 HydrophobicContact CE1-CE1 4.42Å; Y186-F466 HydrophobicContact CE1-CZ 4.35Å; Y186-F466 HydrophobicContact CE2-CD1 4.31Å; Y186-F466 AromaticContact CE2-CD2 3.67Å; Y186-F466 HydrophobicContact CE2-CD2 3.67Å; Y186-F466 AromaticContact CE2-CE1 3.92Å; Y186-F466 HydrophobicContact CE2-CE1 3.92Å; Y186-F466 AromaticContact CE2-CE2 3.27Å; Y186-F466 HydrophobicContact CE2-CE2 3.27Å; Y186-F466 HydrophobicContact CE2-CG 4.24Å; Y186-F466 AromaticContact CE2-CZ 3.5Å; Y186-F466 HydrophobicContact CE2-CZ 3.5Å; Y186-F466 AromaticContact CZ-CE1 3.64Å; Y186-F466 AromaticContact CZ-CE2 3.55Å; Y186-F466 AromaticContact CZ-CZ 3.25Å; Y186-F466 WeakPolarHBondContact OH-CE1 3.4Å; Y186-F466 WeakPolarHBondContact OH-CE2 3.4Å; Y186-F466 WeakPolarHBondContact OH-CZ 3.25Å
187G89.7Confident92.5Very high52 Ų5240.9 Ų40.954%0.53623%0.229SC..THydrogen-bonded Turntrans89.421.1175.900000114.8L183 I184 S185 N189L183-G187 PolarHBondContact O-N 3.33Å; I184-G187 PolarHBondContact O-N 2.92Å; S185-G187 PolarHBondContact O-N 3.12Å; G187-N189 PolarHBondContact O-N 3.15Å
188A94.7Very high92.9Very high8 Ų840.2 Ų40.27%0.06623%0.225CC..  trans-50.9125.6174.800000111.5V156 D157 L167 L183 L190V156-A188 HydrophobicContact CG1-CB 4.41Å; V156-A188 HydrophobicContact CG2-CB 3.87Å; D157-A188 WeakPolarHBondContact OD1-CA 3.45Å; L167-A188 HydrophobicContact CD2-CB 4.31Å; L183-A188 HydrophobicContact CB-CB 4.11Å; L183-A188 WeakPolarHBondContact O-CB 3.19Å; L183-A188 PolarHBondContact O-N 3.01Å; A188-L190 PolarHBondContact O-N 3.5Å
189N96.7Very high93.3Very high70 Ų7037.9 Ų37.937%0.37421%0.213SC..  trans-79.5110.5-175.7-177-11.8000111.3D157 G187 R191 L192D157-N189 PolarHBondContact OD1-N 3.27Å; D157-N189 WeakPolarHBondContact OD2-CB 3.26Å; D157-N189 PolarHBondContact OD2-N 3.22Å; G187-N189 PolarHBondContact O-N 3.15Å; N189-R191 PolarHBondContact O-N 2.72Å; N189-R191 VanDerWaalsContact O-N 3.16Å; N189-R191 VanDerWaalsContact OD1-CB 3.3Å; N189-R191 WeakPolarHBondContact OD1-CB 3.35Å; N189-R191 PolarHBondContact OD1-N 2.72Å; N189-L192 HydrophobicContact CB-CD1 3.89Å; N189-L192 HydrophobicContact CB-CG 3.81Å; N189-L192 PolarHBondContact O-N 2.79Å
190L97.1Very high93.6Very high16 Ų1638 Ų388%0.08421%0.213CC..THydrogen-bonded Turntrans-69.8-8.5-178.5-55.3-172.5000114.4L167 I184 A188 V200 L216 I221L167-L190 HydrophobicContact CD2-CD2 3.31Å; I184-L190 HydrophobicContact CG1-CD2 4.23Å; A188-L190 PolarHBondContact O-N 3.5Å; L190-V200 HydrophobicContact CB-CG1 4.4Å; L190-V200 HydrophobicContact CD2-CG1 4.29Å; L190-L216 HydrophobicContact CD2-CD2 3.71Å; L190-I221 HydrophobicContact CB-CD1 3.92Å; L190-I221 HydrophobicContact CD1-CB 4.23Å; L190-I221 HydrophobicContact CD1-CD1 4.48Å
191R96.2Very high93.8Very high98 Ų9838 Ų3837%0.3721%0.213SC..THydrogen-bonded Turntrans-100.1-8.7-175.8-53.4-57.1-174.8156.4-2.1114N189 D220 D222N189-R191 PolarHBondContact O-N 2.72Å; N189-R191 VanDerWaalsContact O-N 3.16Å; N189-R191 VanDerWaalsContact OD1-CB 3.3Å; N189-R191 WeakPolarHBondContact OD1-CB 3.35Å; N189-R191 PolarHBondContact OD1-N 2.72Å; R191-D220 IonicContact CZ-OD2 2.67Å; R191-D220 PolarHBondContact NE-O 3.48Å; R191-D220 IonicContact NE-OD2 2.76Å; R191-D220 PolarHBondContact NH2-O 3Å; R191-D220 IonicContact NH2-OD1 2.85Å; R191-D220 IonicContact NH2-OD2 3.95Å; R191-D220 PolarHBondContact NH2-OD2 3.44Å; R191-D222 IonicContact CZ-OD2 3.67Å; R191-D222 IonicContact NH1-OD2 3.76Å; R191-D222 PolarHBondContact NH1-OD2 3.03Å
192L97.2Very high94.3Very high41 Ų4134.6 Ų34.622%0.21520%0.201CC..  trans-65144.7177.6-63.3176.9000110.7D157 T165 M168 N189 T199D157-L192 HydrophobicContact CB-CD1 3.71Å; T165-L192 HydrophobicContact CG2-CB 4Å; T165-L192 HydrophobicContact CG2-CD1 3.79Å; M168-L192 WeakPolarHBondContact CE-O 3.28Å; N189-L192 HydrophobicContact CB-CD1 3.89Å; N189-L192 HydrophobicContact CB-CG 3.81Å; N189-L192 PolarHBondContact O-N 2.79Å; L192-T199 WeakPolarHBondContact O-CA 3.4Å
193T96.8Very high94.8Very high54 Ų5435.6 Ų35.633%0.33120%0.204SC..BIsolated β-bridgetrans-117.1151.3177.659.10000111.4R159 G197 N198 T199R159-T193 PolarHBondContact NH1-O 3.03Å; R159-T193 PolarHBondContact NH2-O 3.39Å; R159-T193 VanDerWaalsContact NH2-O 3.08Å; T193-G197 WeakPolarHBondContact CG2-O 3.43Å; T193-N198 WeakPolarHBondContact CA-O 3.23Å; T193-T199 HydrophobicContact CG2-CG2 3.7Å
194D95.7Very high95Very high8 Ų835.6 Ų35.64%0.04320%0.204CC..  trans-73.1-170.6163.673.6-0.6000111.5L164 M168 H196 G197 N198 Y203L164-D194 HydrophobicContact CD2-CB 3.65Å; M168-D194 HydrophobicContact SD-CB 4.33Å; D194-H196 PolarHBondContact O-N 2.91Å; D194-H196 WeakPolarHBondContact OD1-CA 3.28Å; D194-H196 PolarHBondContact OD1-N 3.03Å; D194-G197 PolarHBondContact O-N 2.95Å; D194-G197 PolarHBondContact OD1-N 3.18Å; D194-N198 PolarHBondContact N-O 2.96Å; D194-N198 WeakPolarHBondContact OD1-CB 3.42Å; D194-N198 PolarHBondContact OD1-N 3.38Å; D194-N198 PolarHBondContact OD2-ND2 3.44Å; D194-Y203 HydrophobicContact CB-CE2 4.37Å; D194-Y203 WeakPolarHBondContact OD2-CE2 3.31Å; D194-Y203 PolarHBondContact OD2-OH 3.45Å
195S94Very high95.3Very high84 Ų8433.3 Ų33.359%0.58719%0.193SC*.THydrogen-bonded Turntrans-68.5-8.1178.351.40000115.5
196H95Very high96Very high115 Ų11533.5 Ų33.553%0.53219%0.186SC..THydrogen-bonded Turntrans-113.514.5179.4-57.588.3000112.1D194 N198 D228D194-H196 PolarHBondContact O-N 2.91Å; D194-H196 WeakPolarHBondContact OD1-CA 3.28Å; D194-H196 PolarHBondContact OD1-N 3.03Å; H196-N198 PolarHBondContact O-N 3.1Å; H196-D228 VanDerWaalsContact CA-OD2 3.31Å; H196-D228 WeakPolarHBondContact CA-OD2 3.29Å; H196-D228 WeakPolarHBondContact O-CB 3.49Å; H196-D228 PolarHBondContact O-N 3.31Å; H196-D228 VanDerWaalsContact O-N 3.14Å
197G96.1Very high96.5Very high8 Ų834.9 Ų34.98%0.08219%0.193CC..SBendtrans72.97.6-17700000114.1T193 D194 T199 N227 D228T193-G197 WeakPolarHBondContact CG2-O 3.43Å; D194-G197 PolarHBondContact O-N 2.95Å; D194-G197 PolarHBondContact OD1-N 3.18Å; G197-T199 PolarHBondContact O-N 3.25Å; G197-N227 WeakPolarHBondContact O-CA 3.43Å; G197-N227 WeakPolarHBondContact O-CB 3.32Å; G197-D228 PolarHBondContact N-OD2 2.83Å
198N97.5Very high96.8Very high17 Ų1733.5 Ų33.59%0.09118%0.177CC..  trans-76.7120.5179.7-63.7-56.6000110.3M168 T193 D194 H196 H202 Y203 N227M168-N198 WeakPolarHBondContact CE-O 3.26Å; T193-N198 WeakPolarHBondContact CA-O 3.23Å; D194-N198 PolarHBondContact N-O 2.96Å; D194-N198 WeakPolarHBondContact OD1-CB 3.42Å; D194-N198 PolarHBondContact OD1-N 3.38Å; D194-N198 PolarHBondContact OD2-ND2 3.44Å; H196-N198 PolarHBondContact O-N 3.1Å; N198-H202 HydrophobicContact CB-CB 3.94Å; N198-Y203 HydrophobicContact CB-CD2 4.08Å; N198-Y203 HydrophobicContact CB-CE2 3.65Å; N198-N227 WeakPolarHBondContact OD1-CB 3.22Å; N198-N227 PolarHBondContact OD1-ND2 3.36Å
199T97.5Very high96.9Very high11 Ų1133.1 Ų33.17%0.06717%0.174CC..BIsolated β-bridgetrans-80170.5168.368.30000111.7L192 T193 G197 A201 H202 Y203 A225L192-T199 WeakPolarHBondContact O-CA 3.4Å; T193-T199 HydrophobicContact CG2-CG2 3.7Å; G197-T199 PolarHBondContact O-N 3.25Å; T199-A201 PolarHBondContact O-N 3.42Å; T199-A201 VanDerWaalsContact O-N 3.12Å; T199-A201 WeakPolarHBondContact OG1-CB 3.49Å; T199-A201 PolarHBondContact OG1-N 3.25Å; T199-H202 PolarHBondContact N-ND1 3.43Å; T199-H202 VanDerWaalsContact N-ND1 3.1Å; T199-H202 WeakPolarHBondContact O-CB 3.48Å; T199-H202 PolarHBondContact O-N 3.18Å; T199-H202 PolarHBondContact OG1-ND1 3.42Å; T199-Y203 PolarHBondContact O-N 2.97Å; T199-A225 HydrophobicContact CG2-CB 4.2Å
200V98.1Very high96.9Very high2 Ų232.5 Ų32.51%0.01217%0.167CC..Hα-helixtrans-54.1-30.6171.169.80000113.2L167 M168 C171 L190 H202 Y203 S204 L216 I221L167-V200 HydrophobicContact CB-CG2 4.24Å; L167-V200 HydrophobicContact CD2-CB 4.24Å; L167-V200 HydrophobicContact CD2-CG1 4.18Å; L167-V200 HydrophobicContact CD2-CG2 3.74Å; L167-V200 HydrophobicContact CG-CG2 3.62Å; M168-V200 HydrophobicContact CG-CB 4.47Å; C171-V200 VanDerWaalsContact SG-CG2 3.56Å; L190-V200 HydrophobicContact CB-CG1 4.4Å; L190-V200 HydrophobicContact CD2-CG1 4.29Å; V200-H202 VanDerWaalsContact C-N 3.35Å; V200-H202 PolarHBondContact O-N 3.29Å; V200-Y203 PolarHBondContact O-N 3.4Å; V200-S204 WeakPolarHBondContact O-CB 3.41Å; V200-S204 PolarHBondContact O-N 3.18Å; V200-L216 HydrophobicContact CG1-CD1 4.3Å; V200-L216 HydrophobicContact CG1-CD2 3.98Å; V200-L216 HydrophobicContact CG2-CD1 3.85Å; V200-L216 HydrophobicContact CG2-CD2 4.02Å; V200-I221 HydrophobicContact CG1-CD1 3.51Å
201A97.9Very high96.7Very high0 Ų035.2 Ų35.20%018%0.18CC..Hα-helixtrans-60.2-45.3174.900000111.3T199 S204 V205 I221 W223 P233T199-A201 PolarHBondContact O-N 3.42Å; T199-A201 VanDerWaalsContact O-N 3.12Å; T199-A201 WeakPolarHBondContact OG1-CB 3.49Å; T199-A201 PolarHBondContact OG1-N 3.25Å; A201-S204 PolarHBondContact O-N 3.48Å; A201-S204 PolarHBondContact O-OG 2.69Å; A201-V205 PolarHBondContact O-N 3.49Å; A201-I221 HydrophobicContact CB-CD1 3.91Å; A201-I221 HydrophobicContact CB-CG1 3.94Å; A201-W223 HydrophobicContact CB-CE3 3.83Å; A201-W223 HydrophobicContact CB-CZ3 3.82Å; A201-P233 HydrophobicContact CB-CB 3.9Å; A201-P233 HydrophobicContact CB-CG 3.46Å; A201-P233 VanDerWaalsContact CB-CG 3.46Å
202H98.2Very high96.8Very high0 Ų030.5 Ų30.50%016%0.162CC..Hα-helixtrans-61.1-49177.2-60.483.5000110.7N198 T199 V200 S204 V205 Q206 A225 K231 V236N198-H202 HydrophobicContact CB-CB 3.94Å; T199-H202 PolarHBondContact N-ND1 3.43Å; T199-H202 VanDerWaalsContact N-ND1 3.1Å; T199-H202 WeakPolarHBondContact O-CB 3.48Å; T199-H202 PolarHBondContact O-N 3.18Å; T199-H202 PolarHBondContact OG1-ND1 3.42Å; V200-H202 VanDerWaalsContact C-N 3.35Å; V200-H202 PolarHBondContact O-N 3.29Å; H202-S204 VanDerWaalsContact C-N 3.32Å; H202-S204 PolarHBondContact O-N 2.9Å; H202-V205 PolarHBondContact O-N 3.07Å; H202-Q206 VanDerWaalsContact O-CB 3.29Å; H202-Q206 WeakPolarHBondContact O-CB 3.27Å; H202-Q206 PolarHBondContact O-N 3.29Å; H202-A225 PolarHBondContact CE1-O 3.48Å; H202-A225 PolarHBondContact NE2-O 3.42Å; H202-K231 PolarHBondContact NE2-O 3.41Å; H202-K231 VanDerWaalsContact NE2-O 3.09Å; H202-V236 HydrophobicContact CB-CG1 4.26Å
203Y98.1Very high96.7Very high20 Ų2028.6 Ų28.68%0.07815%0.152CC..Hα-helixtrans-58.4-42.3176.2-83.6-92.6000112.6L164 M168 M172 D194 N198 T199 V200 V205 Q206 F207L164-Y203 HydrophobicContact CD2-CE1 4.31Å; L164-Y203 HydrophobicContact CD2-CE2 4.3Å; L164-Y203 WeakPolarHBondContact CD2-OH 3.32Å; M168-Y203 HydrophobicContact CB-CD1 4.25Å; M168-Y203 HydrophobicContact CB-CD2 4.11Å; M168-Y203 HydrophobicContact CB-CE2 4.39Å; M168-Y203 HydrophobicContact CB-CG 4.06Å; M168-Y203 HydrophobicContact CG-CD2 3.86Å; M168-Y203 HydrophobicContact CG-CE2 4.2Å; M168-Y203 HydrophobicContact CG-CG 4.24Å; M168-Y203 HydrophobicContact SD-CD2 4.25Å; M168-Y203 HydrophobicContact SD-CE2 4.05Å; M172-Y203 HydrophobicContact CG-CD1 3.82Å; M172-Y203 HydrophobicContact CG-CE1 4.16Å; M172-Y203 HydrophobicContact SD-CD1 3.96Å; M172-Y203 HydrophobicContact SD-CE1 3.7Å; D194-Y203 HydrophobicContact CB-CE2 4.37Å; D194-Y203 WeakPolarHBondContact OD2-CE2 3.31Å; D194-Y203 PolarHBondContact OD2-OH 3.45Å; N198-Y203 HydrophobicContact CB-CD2 4.08Å; N198-Y203 HydrophobicContact CB-CE2 3.65Å; T199-Y203 PolarHBondContact O-N 2.97Å; V200-Y203 PolarHBondContact O-N 3.4Å; Y203-V205 PolarHBondContact O-N 2.96Å; Y203-Q206 PolarHBondContact O-N 3.35Å; Y203-F207 AromaticContact CD1-CD2 3.99Å; Y203-F207 HydrophobicContact CD1-CD2 3.99Å; Y203-F207 AromaticContact CD1-CE2 3.61Å; Y203-F207 HydrophobicContact CD1-CE2 3.61Å; Y203-F207 AromaticContact CE1-CE2 3.98Å; Y203-F207 HydrophobicContact CE1-CE2 3.98Å; Y203-F207 WeakPolarHBondContact O-CD2 3.44Å; Y203-F207 PolarHBondContact O-N 3.14Å
204S97.4Very high96.5Very high0 Ų027.6 Ų27.60%015%0.146CC..Hα-helixtrans-60-34.7-179.479.30000112.6V200 A201 H202 N209 V213 W223V200-S204 WeakPolarHBondContact O-CB 3.41Å; V200-S204 PolarHBondContact O-N 3.18Å; A201-S204 PolarHBondContact O-N 3.48Å; A201-S204 PolarHBondContact O-OG 2.69Å; H202-S204 VanDerWaalsContact C-N 3.32Å; H202-S204 PolarHBondContact O-N 2.9Å; S204-N209 PolarHBondContact O-N 2.85Å; S204-V213 WeakPolarHBondContact OG-CG2 3.22Å; S204-W223 WeakPolarHBondContact OG-CZ3 3.24Å
205V97.9Very high96.3Very high0 Ų027.7 Ų27.70%015%0.146CC..Hα-helixtrans-85.5-43.9176.8-178.70000111.9A201 H202 Y203 F207 A208 W223 P233 V236 V246A201-V205 PolarHBondContact O-N 3.49Å; H202-V205 PolarHBondContact O-N 3.07Å; Y203-V205 PolarHBondContact O-N 2.96Å; V205-F207 PolarHBondContact O-N 3.42Å; V205-A208 WeakPolarHBondContact O-CA 3.45Å; V205-A208 PolarHBondContact O-N 2.92Å; V205-W223 HydrophobicContact CG2-CZ3 4.4Å; V205-P233 WeakPolarHBondContact CB-O 3.17Å; V205-P233 WeakPolarHBondContact CG1-O 3.15Å; V205-P233 HydrophobicContact CG2-CB 4.29Å; V205-P233 WeakPolarHBondContact CG2-O 3.39Å; V205-V236 HydrophobicContact CB-CG2 4.33Å; V205-V236 HydrophobicContact CG1-CG2 4.46Å; V205-V246 HydrophobicContact CG2-CB 4.46Å; V205-V246 HydrophobicContact CG2-CG1 4.25Å; V205-V246 HydrophobicContact CG2-CG2 3.91Å
206Q97.4Very high96.4Very high70 Ų7023.7 Ų23.733%0.32712%0.118SC..Hα-helixtrans-53.9-39.8177.9-178.1177.7-2.500111.6H202 Y203 V236 R237H202-Q206 VanDerWaalsContact O-CB 3.29Å; H202-Q206 WeakPolarHBondContact O-CB 3.27Å; H202-Q206 PolarHBondContact O-N 3.29Å; Y203-Q206 PolarHBondContact O-N 3.35Å; Q206-V236 HydrophobicContact CB-CG2 3.96Å; Q206-R237 WeakPolarHBondContact O-CD 3.21Å; Q206-R237 PolarHBondContact O-NH1 3.4Å
207F97.1Very high96.2Very high59 Ų5921.4 Ų21.426%0.25911%0.11SC..THydrogen-bonded Turntrans-94.310.4178.1-68.1-85.2000113.7C171 M172 R175 Y203 V205 N209C171-F207 WeakPolarHBondContact O-CB 3.4Å; M172-F207 HydrophobicContact CB-CD1 4.34Å; M172-F207 HydrophobicContact CB-CD2 4.47Å; M172-F207 HydrophobicContact CB-CE1 4.29Å; M172-F207 HydrophobicContact CB-CE2 4.46Å; M172-F207 HydrophobicContact CB-CG 4.43Å; M172-F207 HydrophobicContact CB-CZ 4.36Å; M172-F207 HydrophobicContact CE-CE1 4.44Å; M172-F207 HydrophobicContact CE-CZ 3.93Å; M172-F207 HydrophobicContact CG-CD1 4.32Å; M172-F207 HydrophobicContact CG-CD2 3.74Å; M172-F207 HydrophobicContact CG-CE1 4.06Å; M172-F207 HydrophobicContact CG-CE2 3.48Å; M172-F207 VanDerWaalsContact CG-CE2 3.48Å; M172-F207 HydrophobicContact CG-CG 4.18Å; M172-F207 HydrophobicContact CG-CZ 3.64Å; M172-F207 HydrophobicContact SD-CE2 4.32Å; M172-F207 HydrophobicContact SD-CZ 4.29Å; R175-F207 PolarHBondContact NH2-O 3.16Å; Y203-F207 AromaticContact CD1-CD2 3.99Å; Y203-F207 HydrophobicContact CD1-CD2 3.99Å; Y203-F207 AromaticContact CD1-CE2 3.61Å; Y203-F207 HydrophobicContact CD1-CE2 3.61Å; Y203-F207 AromaticContact CE1-CE2 3.98Å; Y203-F207 HydrophobicContact CE1-CE2 3.98Å; Y203-F207 WeakPolarHBondContact O-CD2 3.44Å; Y203-F207 PolarHBondContact O-N 3.14Å; V205-F207 PolarHBondContact O-N 3.42Å; F207-N209 PolarHBondContact O-N 3.02Å
208A97Very high95.7Very high23 Ų2327.1 Ų27.119%0.1913%0.132CC..THydrogen-bonded Turntrans48.441.8-178.400000112.3R175 V205 F210 V239 L242R175-A208 PolarHBondContact NH1-O 3.26Å; V205-A208 WeakPolarHBondContact O-CA 3.45Å; V205-A208 PolarHBondContact O-N 2.92Å; A208-F210 PolarHBondContact O-N 3.46Å; A208-V239 HydrophobicContact CB-CG2 4.16Å; A208-L242 HydrophobicContact CB-CD2 4.3Å
209N96.8Very high95.1Very high0 Ų027.6 Ų27.60%014%0.141CC..  trans-92.384-174.2-164.6-21.8000110.9C171 V174 S204 F207 Q211 A212 V213C171-N209 PolarHBondContact O-ND2 3.26Å; V174-N209 PolarHBondContact O-ND2 2.85Å; S204-N209 PolarHBondContact O-N 2.85Å; F207-N209 PolarHBondContact O-N 3.02Å; N209-Q211 VanDerWaalsContact C-N 3.28Å; N209-Q211 PolarHBondContact O-N 3.33Å; N209-Q211 PolarHBondContact OD1-N 2.85Å; N209-A212 HydrophobicContact CB-CB 3.9Å; N209-A212 WeakPolarHBondContact O-CB 3.44Å; N209-A212 PolarHBondContact O-N 3.23Å; N209-A212 PolarHBondContact OD1-N 3.02Å; N209-V213 WeakPolarHBondContact O-CG2 3.47Å; N209-V213 PolarHBondContact O-N 2.82Å
210F95.5Very high94.6Very high56 Ų5632.9 Ų32.925%0.24617%0.169CC..Hα-helixtrans-59.4-36-179.3178.2-109.5000114.2A208 A212 V213 V214 W241 L242A208-F210 PolarHBondContact O-N 3.46Å; F210-A212 VanDerWaalsContact C-N 3.34Å; F210-V213 PolarHBondContact O-N 2.88Å; F210-V214 HydrophobicContact CD1-CG2 4.22Å; F210-V214 HydrophobicContact CD2-CG2 4.12Å; F210-V214 HydrophobicContact CE1-CG2 3.74Å; F210-V214 HydrophobicContact CE2-CG2 3.64Å; F210-V214 HydrophobicContact CG-CG2 4.41Å; F210-V214 HydrophobicContact CZ-CG2 3.43Å; F210-V214 VanDerWaalsContact CZ-CG2 3.43Å; F210-V214 WeakPolarHBondContact O-CG2 3.31Å; F210-V214 PolarHBondContact O-N 3.07Å; F210-W241 HydrophobicContact CB-CH2 3.57Å; F210-W241 HydrophobicContact CB-CZ3 4.25Å; F210-W241 AromaticContact CD2-CH2 3.61Å; F210-W241 HydrophobicContact CD2-CH2 3.61Å; F210-W241 AromaticContact CD2-CZ3 3.35Å; F210-W241 HydrophobicContact CD2-CZ3 3.35Å; F210-W241 HydrophobicContact CE2-CH2 4.42Å; F210-W241 AromaticContact CE2-CZ3 3.81Å; F210-W241 HydrophobicContact CE2-CZ3 3.81Å; F210-W241 AromaticContact CG-CH2 3.63Å; F210-W241 HydrophobicContact CG-CH2 3.63Å; F210-W241 AromaticContact CG-CZ3 3.87Å; F210-W241 HydrophobicContact CG-CZ3 3.87Å; F210-L242 HydrophobicContact CD2-CD1 4.13Å
211Q94.5Very high94.4Very high73 Ų7332.8 Ų32.834%0.34117%0.168SC..Hα-helixtrans-67.4-39.5179.3-63.6-60.9-1300111.1V177 N209 V214 Q215V177-Q211 HydrophobicContact CG2-CB 4Å; V177-Q211 HydrophobicContact CG2-CG 4.15Å; N209-Q211 VanDerWaalsContact C-N 3.28Å; N209-Q211 PolarHBondContact O-N 3.33Å; N209-Q211 PolarHBondContact OD1-N 2.85Å; Q211-V214 PolarHBondContact O-N 3.23Å; Q211-Q215 PolarHBondContact O-N 2.72Å; Q211-Q215 VanDerWaalsContact O-N 3.09Å
212A96.9Very high94.3Very high0 Ų035 Ų350%018%0.18CC..Hα-helixtrans-58.1-52.617000000110.4F180 N209 F210 V214 Q215 L216F180-A212 HydrophobicContact CD1-CB 4Å; F180-A212 HydrophobicContact CD2-CB 4.41Å; F180-A212 HydrophobicContact CE1-CB 3.47Å; F180-A212 VanDerWaalsContact CE1-CB 3.47Å; F180-A212 HydrophobicContact CE2-CB 3.93Å; F180-A212 HydrophobicContact CG-CB 4.46Å; F180-A212 HydrophobicContact CZ-CB 3.44Å; F180-A212 VanDerWaalsContact CZ-CB 3.44Å; N209-A212 HydrophobicContact CB-CB 3.9Å; N209-A212 WeakPolarHBondContact O-CB 3.44Å; N209-A212 PolarHBondContact O-N 3.23Å; N209-A212 PolarHBondContact OD1-N 3.02Å; F210-A212 VanDerWaalsContact C-N 3.34Å; A212-V214 VanDerWaalsContact C-N 3.3Å; A212-V214 PolarHBondContact O-N 2.89Å; A212-Q215 PolarHBondContact O-N 3.13Å; A212-L216 HydrophobicContact CB-CD1 4.23Å; A212-L216 WeakPolarHBondContact O-CB 3.41Å; A212-L216 WeakPolarHBondContact O-CG 3.32Å; A212-L216 PolarHBondContact O-N 2.75Å
213V95.9Very high94.2Very high0 Ų035 Ų350%018%0.18CC..Hα-helixtrans-54.4-45.2-179.6170.40000111.9S204 N209 F210 Q215 D217 W223 L242 V246 M249S204-V213 WeakPolarHBondContact OG-CG2 3.22Å; N209-V213 WeakPolarHBondContact O-CG2 3.47Å; N209-V213 PolarHBondContact O-N 2.82Å; F210-V213 PolarHBondContact O-N 2.88Å; V213-Q215 PolarHBondContact O-N 2.78Å; V213-D217 VanDerWaalsContact O-CB 3.25Å; V213-D217 WeakPolarHBondContact O-CB 3.44Å; V213-D217 PolarHBondContact O-N 3.11Å; V213-W223 HydrophobicContact CB-CH2 4.05Å; V213-W223 HydrophobicContact CG1-CH2 3.8Å; V213-W223 HydrophobicContact CG1-CZ2 3.97Å; V213-W223 HydrophobicContact CG2-CH2 3.88Å; V213-W223 HydrophobicContact CG2-CZ3 4.37Å; V213-L242 HydrophobicContact CB-CD1 4.37Å; V213-L242 HydrophobicContact CG1-CD1 4.25Å; V213-L242 HydrophobicContact CG2-CD1 4.1Å; V213-V246 HydrophobicContact CG1-CG2 3.86Å; V213-V246 HydrophobicContact CG2-CG2 4.41Å; V213-M249 HydrophobicContact CG1-CE 4.19Å; V213-M249 HydrophobicContact CG1-SD 3.99Å
214V92.1Very high94.1Very high34 Ų3435.7 Ų35.721%0.20619%0.185CC..Hα-helixtrans-67.2-34.6178.71740000113.1F210 Q211 A212F210-V214 HydrophobicContact CD1-CG2 4.22Å; F210-V214 HydrophobicContact CD2-CG2 4.12Å; F210-V214 HydrophobicContact CE1-CG2 3.74Å; F210-V214 HydrophobicContact CE2-CG2 3.64Å; F210-V214 HydrophobicContact CG-CG2 4.41Å; F210-V214 HydrophobicContact CZ-CG2 3.43Å; F210-V214 VanDerWaalsContact CZ-CG2 3.43Å; F210-V214 WeakPolarHBondContact O-CG2 3.31Å; F210-V214 PolarHBondContact O-N 3.07Å; Q211-V214 PolarHBondContact O-N 3.23Å; A212-V214 VanDerWaalsContact C-N 3.3Å; A212-V214 PolarHBondContact O-N 2.89Å
215Q91.8Very high94Very high9 Ų936.5 Ų36.54%0.04219%0.192CC..Hα-helixtrans-80.5-38.4177.1-64.5-34.9-69.500112.4V177 F180 R181 I184 Q211 A212 V213 D217 K218V177-Q215 HydrophobicContact CG1-CG 3.84Å; F180-Q215 HydrophobicContact CB-CB 3.77Å; F180-Q215 HydrophobicContact CB-CG 3.96Å; R181-Q215 HydrophobicContact CG-CG 4.18Å; I184-Q215 HydrophobicContact CD1-CB 4.46Å; Q211-Q215 PolarHBondContact O-N 2.72Å; Q211-Q215 VanDerWaalsContact O-N 3.09Å; A212-Q215 PolarHBondContact O-N 3.13Å; V213-Q215 PolarHBondContact O-N 2.78Å; Q215-D217 VanDerWaalsContact C-N 3.32Å; Q215-D217 PolarHBondContact O-N 3.49Å; Q215-K218 WeakPolarHBondContact O-CB 3.36Å; Q215-K218 PolarHBondContact O-N 3.46Å
216L95.8Very high94Very high0 Ų041.8 Ų41.80%022%0.219CC..Hα-helixtrans-63.9-38.8177.9-67.2170.3000111.4L167 I184 L190 V200 A212 K218 G219 I221 W223L167-L216 HydrophobicContact CD2-CD2 3.87Å; L167-L216 HydrophobicContact CG-CD2 4.45Å; I184-L216 HydrophobicContact CD1-CD2 4.25Å; L190-L216 HydrophobicContact CD2-CD2 3.71Å; V200-L216 HydrophobicContact CG1-CD1 4.3Å; V200-L216 HydrophobicContact CG1-CD2 3.98Å; V200-L216 HydrophobicContact CG2-CD1 3.85Å; V200-L216 HydrophobicContact CG2-CD2 4.02Å; A212-L216 HydrophobicContact CB-CD1 4.23Å; A212-L216 WeakPolarHBondContact O-CB 3.41Å; A212-L216 WeakPolarHBondContact O-CG 3.32Å; A212-L216 PolarHBondContact O-N 2.75Å; L216-K218 PolarHBondContact O-N 2.91Å; L216-K218 VanDerWaalsContact O-N 3.16Å; L216-G219 CarbonylContact O-C 3.59Å; L216-G219 WeakPolarHBondContact O-CA 3.37Å; L216-G219 PolarHBondContact O-N 3.4Å; L216-I221 HydrophobicContact CB-CB 4.4Å; L216-I221 HydrophobicContact CB-CG1 4.33Å; L216-I221 HydrophobicContact CB-CG2 4.49Å; L216-I221 VanDerWaalsContact O-CG2 3.24Å; L216-I221 WeakPolarHBondContact O-CG2 3.36Å; L216-W223 HydrophobicContact CB-CH2 4.38Å; L216-W223 HydrophobicContact CB-CZ2 4.34Å
217D91Very high94Very high68 Ų6838.9 Ų38.936%0.36421%0.206SC..THydrogen-bonded Turntrans-62.3-19.6176.3-169.364.1000113.7V213 Q215 G219 W223 M249V213-D217 VanDerWaalsContact O-CB 3.25Å; V213-D217 WeakPolarHBondContact O-CB 3.44Å; V213-D217 PolarHBondContact O-N 3.11Å; Q215-D217 VanDerWaalsContact C-N 3.32Å; Q215-D217 PolarHBondContact O-N 3.49Å; D217-G219 VanDerWaalsContact C-N 3.34Å; D217-W223 HydrophobicContact CB-CZ2 4.22Å; D217-W223 PolarHBondContact OD1-NE1 3.1Å; D217-W223 VanDerWaalsContact OD1-NE1 3.1Å; D217-M249 HydrophobicContact CB-CE 4.15Å; D217-M249 HydrophobicContact CB-SD 4.46Å
218K85.9Confident94Very high128 Ų12841.9 Ų41.956%0.55723%0.225SC*.THydrogen-bonded Turntrans-79.2-19.9172.2-61.9175.3-179.3178.70112.9Q215 L216Q215-K218 WeakPolarHBondContact O-CB 3.36Å; Q215-K218 PolarHBondContact O-N 3.46Å; L216-K218 PolarHBondContact O-N 2.91Å; L216-K218 VanDerWaalsContact O-N 3.16Å
219G85.3Confident94Very high26 Ų2646.8 Ų46.827%0.26824%0.244SC..THydrogen-bonded Turntrans-94.2177.7174.100000111.7L216 D217 I221L216-G219 CarbonylContact O-C 3.59Å; L216-G219 WeakPolarHBondContact O-CA 3.37Å; L216-G219 PolarHBondContact O-N 3.4Å; D217-G219 VanDerWaalsContact C-N 3.34Å; G219-I221 PolarHBondContact O-N 3.41Å
220D85.5Confident94Very high122 Ų12251 Ų5165%0.65227%0.274SS*.THydrogen-bonded Turntrans-78.360.1172.9-174.252000111.4R191R191-D220 IonicContact CZ-OD2 2.67Å; R191-D220 PolarHBondContact NE-O 3.48Å; R191-D220 IonicContact NE-OD2 2.76Å; R191-D220 PolarHBondContact NH2-O 3Å; R191-D220 IonicContact NH2-OD1 2.85Å; R191-D220 IonicContact NH2-OD2 3.95Å; R191-D220 PolarHBondContact NH2-OD2 3.44Å
221I94.5Very high94.2Very high1 Ų152 Ų521%0.00528%0.278CS..  trans-78.5145.8169.1-16665.1000108.4L190 V200 A201 L216 G219 W223 Q253L190-I221 HydrophobicContact CB-CD1 3.92Å; L190-I221 HydrophobicContact CD1-CB 4.23Å; L190-I221 HydrophobicContact CD1-CD1 4.48Å; V200-I221 HydrophobicContact CG1-CD1 3.51Å; A201-I221 HydrophobicContact CB-CD1 3.91Å; A201-I221 HydrophobicContact CB-CG1 3.94Å; L216-I221 HydrophobicContact CB-CB 4.4Å; L216-I221 HydrophobicContact CB-CG1 4.33Å; L216-I221 HydrophobicContact CB-CG2 4.49Å; L216-I221 VanDerWaalsContact O-CG2 3.24Å; L216-I221 WeakPolarHBondContact O-CG2 3.36Å; G219-I221 PolarHBondContact O-N 3.41Å; I221-W223 HydrophobicContact CG1-CZ2 4.42Å; I221-W223 HydrophobicContact CG2-CD2 4.28Å; I221-W223 HydrophobicContact CG2-CZ2 3.87Å; I221-Q253 PolarHBondContact O-NE2 3.47Å
222D95.3Very high94.3Very high46 Ų4649 Ų4925%0.24626%0.264CS..  trans-114.7124.3161.1118.970.7000113.6R191 N224 A225R191-D222 IonicContact CZ-OD2 3.67Å; R191-D222 IonicContact NH1-OD2 3.76Å; R191-D222 PolarHBondContact NH1-OD2 3.03Å; D222-N224 PolarHBondContact O-N 3.15Å; D222-N224 VanDerWaalsContact OD1-C 3.25Å; D222-N224 WeakPolarHBondContact OD1-CA 3.41Å; D222-N224 VanDerWaalsContact OD1-CB 3.29Å; D222-N224 WeakPolarHBondContact OD1-CB 3.36Å; D222-N224 PolarHBondContact OD1-N 3.06Å; D222-A225 PolarHBondContact OD1-N 2.94Å
223W96.3Very high94.3Very high0 Ų049 Ų490%026%0.264CS..THydrogen-bonded Turntrans-84.72.7-175.6-63.9115.3000112.4A201 S204 V205 V213 L216 D217 I221 P233 Y234 V246 M249 A250A201-W223 HydrophobicContact CB-CE3 3.83Å; A201-W223 HydrophobicContact CB-CZ3 3.82Å; S204-W223 WeakPolarHBondContact OG-CZ3 3.24Å; V205-W223 HydrophobicContact CG2-CZ3 4.4Å; V213-W223 HydrophobicContact CB-CH2 4.05Å; V213-W223 HydrophobicContact CG1-CH2 3.8Å; V213-W223 HydrophobicContact CG1-CZ2 3.97Å; V213-W223 HydrophobicContact CG2-CH2 3.88Å; V213-W223 HydrophobicContact CG2-CZ3 4.37Å; L216-W223 HydrophobicContact CB-CH2 4.38Å; L216-W223 HydrophobicContact CB-CZ2 4.34Å; D217-W223 HydrophobicContact CB-CZ2 4.22Å; D217-W223 PolarHBondContact OD1-NE1 3.1Å; D217-W223 VanDerWaalsContact OD1-NE1 3.1Å; I221-W223 HydrophobicContact CG1-CZ2 4.42Å; I221-W223 HydrophobicContact CG2-CD2 4.28Å; I221-W223 HydrophobicContact CG2-CZ2 3.87Å; W223-P233 HydrophobicContact CE3-CB 4.14Å; W223-P233 WeakPolarHBondContact O-CD 3.48Å; W223-Y234 WeakPolarHBondContact O-CE1 3.47Å; W223-V246 HydrophobicContact CB-CG1 4.21Å; W223-V246 HydrophobicContact CD2-CG1 3.83Å; W223-V246 HydrophobicContact CE3-CG1 3.37Å; W223-V246 HydrophobicContact CE3-CG2 4.41Å; W223-V246 HydrophobicContact CG-CG1 4.21Å; W223-V246 HydrophobicContact CZ3-CG1 3.98Å; W223-V246 HydrophobicContact CZ3-CG2 4.27Å; W223-M249 HydrophobicContact CG-CB 4.19Å; W223-M249 HydrophobicContact CZ2-SD 4.31Å; W223-A250 HydrophobicContact CB-CB 3.72Å
224N95.7Very high94.4Very high34 Ų3451 Ų5118%0.18227%0.272CS..THydrogen-bonded Turntrans-110.71.3175.8-57.4-83.6000112.8D222 L226 A250 N254D222-N224 PolarHBondContact O-N 3.15Å; D222-N224 VanDerWaalsContact OD1-C 3.25Å; D222-N224 WeakPolarHBondContact OD1-CA 3.41Å; D222-N224 VanDerWaalsContact OD1-CB 3.29Å; D222-N224 WeakPolarHBondContact OD1-CB 3.36Å; D222-N224 PolarHBondContact OD1-N 3.06Å; N224-L226 PolarHBondContact O-N 2.9Å; N224-A250 PolarHBondContact ND2-O 3.24Å; N224-N254 PolarHBondContact ND2-OD1 3.24Å; N224-N254 VanDerWaalsContact ND2-OD1 3.14Å; N224-N254 PolarHBondContact OD1-ND2 3.42Å
225A96.5Very high94.6Very high18 Ų1853.9 Ų53.915%0.14928%0.283CS..  trans-53.8137.217600000110.3T199 H202 D222 T232 P233T199-A225 HydrophobicContact CG2-CB 4.2Å; H202-A225 PolarHBondContact CE1-O 3.48Å; H202-A225 PolarHBondContact NE2-O 3.42Å; D222-A225 PolarHBondContact OD1-N 2.94Å; A225-T232 WeakPolarHBondContact O-CA 3.41Å; A225-P233 WeakPolarHBondContact O-CD 3.34Å
226L97.8Very high94.8Very high110 Ų11055 Ų5558%0.57629%0.291SS*.  trans-102.8132.7177.5-62.3174.7000109.2N224 T232N224-L226 PolarHBondContact O-N 2.9Å; L226-T232 HydrophobicContact CD2-CG2 3.54Å
227N97.2Very high94.8Very high10 Ų1060.6 Ų60.65%0.05331%0.312CS..  trans-82.1-175.9168.173.4-0.5000111.5G197 N198 E229 S230 K231G197-N227 WeakPolarHBondContact O-CA 3.43Å; G197-N227 WeakPolarHBondContact O-CB 3.32Å; N198-N227 WeakPolarHBondContact OD1-CB 3.22Å; N198-N227 PolarHBondContact OD1-ND2 3.36Å; N227-E229 PolarHBondContact O-N 3.42Å; N227-E229 WeakPolarHBondContact OD1-CA 3.43Å; N227-E229 WeakPolarHBondContact OD1-CB 2.95Å; N227-E229 PolarHBondContact OD1-N 2.94Å; N227-S230 WeakPolarHBondContact O-CA 3.45Å; N227-S230 PolarHBondContact O-N 3.08Å; N227-S230 PolarHBondContact OD1-N 3.35Å; N227-K231 PolarHBondContact N-O 2.83Å; N227-K231 VanDerWaalsContact N-O 3.12Å; N227-K231 PolarHBondContact OD1-N 3.26Å; N227-K231 PolarHBondContact OD1-O 2.97Å
228D97.5Very high94.9Very high121 Ų12163 Ų6365%0.64733%0.329SS*.THydrogen-bonded Turntrans-65.7-21.7-177.7-64-16.5000113H196 G197 S230H196-D228 VanDerWaalsContact CA-OD2 3.31Å; H196-D228 WeakPolarHBondContact CA-OD2 3.29Å; H196-D228 WeakPolarHBondContact O-CB 3.49Å; H196-D228 PolarHBondContact O-N 3.31Å; H196-D228 VanDerWaalsContact O-N 3.14Å; G197-D228 PolarHBondContact N-OD2 2.83Å; D228-S230 PolarHBondContact O-N 2.91Å
229E96.7Very high95.3Very high126 Ų12657.9 Ų57.959%0.58931%0.308SS*.THydrogen-bonded Turntrans-836172.5-59-175.2173.700113N227 K231N227-E229 PolarHBondContact O-N 3.42Å; N227-E229 WeakPolarHBondContact OD1-CA 3.43Å; N227-E229 WeakPolarHBondContact OD1-CB 2.95Å; N227-E229 PolarHBondContact OD1-N 2.94Å; E229-K231 HydrophobicContact CB-CD 4.23Å; E229-K231 HydrophobicContact CB-CG 4.14Å; E229-K231 PolarHBondContact O-N 2.91Å; E229-K231 WeakPolarHBondContact OE2-CD 3.17Å; E229-K231 WeakPolarHBondContact OE2-CE 3.43Å; E229-K231 IonicContact OE2-NZ 3.79Å; E229-K231 PolarHBondContact OE2-NZ 3.12Å
230S97.5Very high95.6Very high89 Ų8961 Ų6162%0.62232%0.324SS*.SBendtrans56.927.9-172.8-55.10000113.6N227 D228N227-S230 WeakPolarHBondContact O-CA 3.45Å; N227-S230 PolarHBondContact O-N 3.08Å; N227-S230 PolarHBondContact OD1-N 3.35Å; D228-S230 PolarHBondContact O-N 2.91Å
231K97.9Very high95.9Very high78 Ų7862 Ų6234%0.33932%0.319SS..  trans-96.4138.9175.3-67.5178.7-177161.80109.9H202 N227 E229 E235 V236H202-K231 PolarHBondContact NE2-O 3.41Å; H202-K231 VanDerWaalsContact NE2-O 3.09Å; N227-K231 PolarHBondContact N-O 2.83Å; N227-K231 VanDerWaalsContact N-O 3.12Å; N227-K231 PolarHBondContact OD1-N 3.26Å; N227-K231 PolarHBondContact OD1-O 2.97Å; E229-K231 HydrophobicContact CB-CD 4.23Å; E229-K231 HydrophobicContact CB-CG 4.14Å; E229-K231 PolarHBondContact O-N 2.91Å; E229-K231 WeakPolarHBondContact OE2-CD 3.17Å; E229-K231 WeakPolarHBondContact OE2-CE 3.43Å; E229-K231 IonicContact OE2-NZ 3.79Å; E229-K231 PolarHBondContact OE2-NZ 3.12Å; K231-E235 HydrophobicContact CB-CB 4.15Å; K231-E235 HydrophobicContact CG-CB 4.44Å; K231-V236 HydrophobicContact CB-CG1 4.19Å
232T97.6Very high95.9Very high9 Ų962 Ų626%0.05532%0.319CS..  trans-78.1164.6166.960.20000111.4A225 L226 Y234 E235 V236A225-T232 WeakPolarHBondContact O-CA 3.41Å; L226-T232 HydrophobicContact CD2-CG2 3.54Å; T232-Y234 HydrophobicContact CG2-CE1 4.06Å; T232-Y234 PolarHBondContact O-N 2.86Å; T232-Y234 VanDerWaalsContact O-N 3.13Å; T232-Y234 WeakPolarHBondContact OG1-CD2 3.39Å; T232-Y234 WeakPolarHBondContact OG1-CE1 3.35Å; T232-Y234 WeakPolarHBondContact OG1-CE2 3.42Å; T232-E235 WeakPolarHBondContact CB-OE2 3.43Å; T232-E235 PolarHBondContact N-OE2 3.41Å; T232-E235 PolarHBondContact O-N 3.43Å; T232-E235 VanDerWaalsContact OG1-CG 3.32Å; T232-E235 WeakPolarHBondContact OG1-CG 3.48Å; T232-E235 PolarHBondContact OG1-OE2 2.88Å; T232-V236 PolarHBondContact O-N 3.37Å
233P97.7Very high95.8Very high0 Ų060.6 Ų60.60%031%0.311CS..THydrogen-bonded Turntrans-52.8-35.3175.4-32.535.7000114.5A201 V205 W223 A225 E235 V236A201-P233 HydrophobicContact CB-CB 3.9Å; A201-P233 HydrophobicContact CB-CG 3.46Å; A201-P233 VanDerWaalsContact CB-CG 3.46Å; V205-P233 WeakPolarHBondContact CB-O 3.17Å; V205-P233 WeakPolarHBondContact CG1-O 3.15Å; V205-P233 HydrophobicContact CG2-CB 4.29Å; V205-P233 WeakPolarHBondContact CG2-O 3.39Å; W223-P233 HydrophobicContact CE3-CB 4.14Å; W223-P233 WeakPolarHBondContact O-CD 3.48Å; A225-P233 WeakPolarHBondContact O-CD 3.34Å; P233-E235 VanDerWaalsContact C-N 3.27Å; P233-E235 PolarHBondContact O-N 3.42Å; P233-V236 WeakPolarHBondContact O-CG2 3.43Å
234Y96.1Very high95.6Very high42 Ų4264.8 Ų64.817%0.16533%0.334CS..THydrogen-bonded Turntrans-81-5.418055-96000113.5W223 T232 T243 V246 K247 A250W223-Y234 WeakPolarHBondContact O-CE1 3.47Å; T232-Y234 HydrophobicContact CG2-CE1 4.06Å; T232-Y234 PolarHBondContact O-N 2.86Å; T232-Y234 VanDerWaalsContact O-N 3.13Å; T232-Y234 WeakPolarHBondContact OG1-CD2 3.39Å; T232-Y234 WeakPolarHBondContact OG1-CE1 3.35Å; T232-Y234 WeakPolarHBondContact OG1-CE2 3.42Å; Y234-T243 VanDerWaalsContact O-CG2 3.26Å; Y234-T243 WeakPolarHBondContact O-CG2 3.29Å; Y234-V246 HydrophobicContact CD1-CG1 4.22Å; Y234-K247 HydrophobicContact CD2-CB 4.41Å; Y234-K247 HydrophobicContact CE2-CG 4.5Å; Y234-K247 HydrophobicContact CG-CB 4.29Å; Y234-A250 HydrophobicContact CD1-CB 4.23Å; Y234-A250 HydrophobicContact CE1-CB 3.82Å
235E96.7Very high95.3Very high94 Ų9468 Ų6844%0.43934%0.344SS..THydrogen-bonded Turntrans-103.1-20.4179.6-71.7165.6156.400113.8K231 T232 P233 R237K231-E235 HydrophobicContact CB-CB 4.15Å; K231-E235 HydrophobicContact CG-CB 4.44Å; T232-E235 WeakPolarHBondContact CB-OE2 3.43Å; T232-E235 PolarHBondContact N-OE2 3.41Å; T232-E235 PolarHBondContact O-N 3.43Å; T232-E235 VanDerWaalsContact OG1-CG 3.32Å; T232-E235 WeakPolarHBondContact OG1-CG 3.48Å; T232-E235 PolarHBondContact OG1-OE2 2.88Å; P233-E235 VanDerWaalsContact C-N 3.27Å; P233-E235 PolarHBondContact O-N 3.42Å; E235-R237 PolarHBondContact O-N 3.34Å
236V96.7Very high95.3Very high34 Ų3467.2 Ų67.221%0.20634%0.337CS..SBendtrans-63.5-28.2-180-58.50000113.3H202 V205 Q206 K231 T232 P233H202-V236 HydrophobicContact CB-CG1 4.26Å; V205-V236 HydrophobicContact CB-CG2 4.33Å; V205-V236 HydrophobicContact CG1-CG2 4.46Å; Q206-V236 HydrophobicContact CB-CG2 3.96Å; K231-V236 HydrophobicContact CB-CG1 4.19Å; T232-V236 PolarHBondContact O-N 3.37Å; P233-V236 WeakPolarHBondContact O-CG2 3.43Å
237R96.4Very high95Very high117 Ų11767.4 Ų67.444%0.44233%0.333SS..SBendtrans-152.4128174.6-174.7-179.2174.2176.61.1110.2Q206 E235 V239 T243Q206-R237 WeakPolarHBondContact O-CD 3.21Å; Q206-R237 PolarHBondContact O-NH1 3.4Å; E235-R237 PolarHBondContact O-N 3.34Å; R237-V239 HydrophobicContact CG-CG2 3.97Å; R237-V239 PolarHBondContact O-N 2.91Å; R237-T243 PolarHBondContact O-OG1 2.83Å
238V93.2Very high94.6Very high119 Ų11971.1 Ų71.172%0.72135%0.35SS*.  trans-83.7106.8175.6-176.70000109.6
239V93.8Very high94.2Very high19 Ų1966.4 Ų66.412%0.11532%0.324CS..  trans-12499.9169.8179.10000106.6A208 R237 W241 L242 T243A208-V239 HydrophobicContact CB-CG2 4.16Å; R237-V239 HydrophobicContact CG-CG2 3.97Å; R237-V239 PolarHBondContact O-N 2.91Å; V239-W241 PolarHBondContact O-N 3.36Å; V239-W241 VanDerWaalsContact O-N 3.12Å; V239-L242 HydrophobicContact CB-CB 4.08Å; V239-L242 HydrophobicContact CG1-CB 3.88Å; V239-L242 PolarHBondContact O-N 2.74Å; V239-T243 PolarHBondContact N-OG1 3.22Å; V239-T243 VanDerWaalsContact O-CB 3.29Å; V239-T243 WeakPolarHBondContact O-CB 3.39Å; V239-T243 PolarHBondContact O-N 2.93Å; V239-T243 PolarHBondContact O-OG1 3.48Å
240P90.5Very high94Very high92 Ų9260.4 Ų60.460%0.59730%0.297SS*.Hα-helixtrans-44.3-57.4-161.6-32.734.5000115L242 D244P240-L242 VanDerWaalsContact C-N 3.35Å; P240-L242 PolarHBondContact O-N 3.14Å; P240-D244 VanDerWaalsContact O-CB 3.28Å; P240-D244 WeakPolarHBondContact O-CB 3.5Å; P240-D244 PolarHBondContact O-N 3.07Å
241W91.7Very high93.4Very high144 Ų14458.7 Ų58.755%0.54528%0.283SS..Hα-helixtrans-66.5-31.6-177.471-92.8000114.3F210 V239 R245F210-W241 HydrophobicContact CB-CH2 3.57Å; F210-W241 HydrophobicContact CB-CZ3 4.25Å; F210-W241 AromaticContact CD2-CH2 3.61Å; F210-W241 HydrophobicContact CD2-CH2 3.61Å; F210-W241 AromaticContact CD2-CZ3 3.35Å; F210-W241 HydrophobicContact CD2-CZ3 3.35Å; F210-W241 HydrophobicContact CE2-CH2 4.42Å; F210-W241 AromaticContact CE2-CZ3 3.81Å; F210-W241 HydrophobicContact CE2-CZ3 3.81Å; F210-W241 AromaticContact CG-CH2 3.63Å; F210-W241 HydrophobicContact CG-CH2 3.63Å; F210-W241 AromaticContact CG-CZ3 3.87Å; F210-W241 HydrophobicContact CG-CZ3 3.87Å; V239-W241 PolarHBondContact O-N 3.36Å; V239-W241 VanDerWaalsContact O-N 3.12Å; W241-R245 WeakPolarHBondContact O-CB 3.45Å; W241-R245 PolarHBondContact O-N 3.09Å
242L94.5Very high92.6Very high0 Ų056.6 Ų56.60%028%0.276CS..Hα-helixtrans-85.6-47.5-177.2177.964.7000110.6A208 F210 V213 V239 P240 D244 R245 V246A208-L242 HydrophobicContact CB-CD2 4.3Å; F210-L242 HydrophobicContact CD2-CD1 4.13Å; V213-L242 HydrophobicContact CB-CD1 4.37Å; V213-L242 HydrophobicContact CG1-CD1 4.25Å; V213-L242 HydrophobicContact CG2-CD1 4.1Å; V239-L242 HydrophobicContact CB-CB 4.08Å; V239-L242 HydrophobicContact CG1-CB 3.88Å; V239-L242 PolarHBondContact O-N 2.74Å; P240-L242 VanDerWaalsContact C-N 3.35Å; P240-L242 PolarHBondContact O-N 3.14Å; L242-D244 VanDerWaalsContact C-N 3.31Å; L242-D244 PolarHBondContact O-N 3.16Å; L242-R245 WeakPolarHBondContact O-CB 3.4Å; L242-R245 PolarHBondContact O-N 2.94Å; L242-R245 VanDerWaalsContact O-N 3.1Å; L242-V246 HydrophobicContact CD1-CG2 4.27Å; L242-V246 HydrophobicContact CG-CG2 4.47Å; L242-V246 WeakPolarHBondContact O-CG2 3.34Å; L242-V246 PolarHBondContact O-N 3.44Å
243T94.4Very high92.1Very high16 Ų1657.9 Ų57.910%0.09828%0.282CS..Hα-helixtrans-55.3-46.2174.7-64.60000110.6Y234 R237 V239 R245 V246 K247Y234-T243 VanDerWaalsContact O-CG2 3.26Å; Y234-T243 WeakPolarHBondContact O-CG2 3.29Å; R237-T243 PolarHBondContact O-OG1 2.83Å; V239-T243 PolarHBondContact N-OG1 3.22Å; V239-T243 VanDerWaalsContact O-CB 3.29Å; V239-T243 WeakPolarHBondContact O-CB 3.39Å; V239-T243 PolarHBondContact O-N 2.93Å; V239-T243 PolarHBondContact O-OG1 3.48Å; T243-R245 VanDerWaalsContact C-N 3.3Å; T243-R245 PolarHBondContact O-N 3.35Å; T243-V246 PolarHBondContact O-N 3.25Å; T243-K247 VanDerWaalsContact O-CB 3.22Å; T243-K247 WeakPolarHBondContact O-CB 3.47Å; T243-K247 PolarHBondContact O-N 3.37Å
244D91.4Very high91.4Very high89 Ų8961.8 Ų61.848%0.47630%0.302SS..Hα-helixtrans-61.5-39.5176.4-73.9-20.8000112.1P240 L242 Q248P240-D244 VanDerWaalsContact O-CB 3.28Å; P240-D244 WeakPolarHBondContact O-CB 3.5Å; P240-D244 PolarHBondContact O-N 3.07Å; L242-D244 VanDerWaalsContact C-N 3.31Å; L242-D244 PolarHBondContact O-N 3.16Å; D244-Q248 VanDerWaalsContact O-CG 3.23Å; D244-Q248 WeakPolarHBondContact O-CG 3.2Å; D244-Q248 PolarHBondContact O-N 2.86Å; D244-Q248 PolarHBondContact O-NE2 2.94Å
245R90.8Very high90.4Very high102 Ų10262.8 Ų62.839%0.38531%0.309SS..Hα-helixtrans-67.6-45.4177.9-175.8175.5-177.9139.11112W241 L242 T243 Q248 M249W241-R245 WeakPolarHBondContact O-CB 3.45Å; W241-R245 PolarHBondContact O-N 3.09Å; L242-R245 WeakPolarHBondContact O-CB 3.4Å; L242-R245 PolarHBondContact O-N 2.94Å; L242-R245 VanDerWaalsContact O-N 3.1Å; T243-R245 VanDerWaalsContact C-N 3.3Å; T243-R245 PolarHBondContact O-N 3.35Å; R245-Q248 WeakPolarHBondContact O-CB 3.27Å; R245-Q248 PolarHBondContact O-N 3.02Å; R245-M249 HydrophobicContact CG-CE 3.92Å; R245-M249 HydrophobicContact CG-SD 4.29Å; R245-M249 WeakPolarHBondContact O-CG 3.44Å; R245-M249 PolarHBondContact O-N 2.67Å
246V94.6Very high89.2Confident0 Ų063.9 Ų63.90%032%0.316CS..Hα-helixtrans-67.5-39178.2174.90000110.8V205 V213 W223 Y234 L242 T243 Q248 M249 A250V205-V246 HydrophobicContact CG2-CB 4.46Å; V205-V246 HydrophobicContact CG2-CG1 4.25Å; V205-V246 HydrophobicContact CG2-CG2 3.91Å; V213-V246 HydrophobicContact CG1-CG2 3.86Å; V213-V246 HydrophobicContact CG2-CG2 4.41Å; W223-V246 HydrophobicContact CB-CG1 4.21Å; W223-V246 HydrophobicContact CD2-CG1 3.83Å; W223-V246 HydrophobicContact CE3-CG1 3.37Å; W223-V246 HydrophobicContact CE3-CG2 4.41Å; W223-V246 HydrophobicContact CG-CG1 4.21Å; W223-V246 HydrophobicContact CZ3-CG1 3.98Å; W223-V246 HydrophobicContact CZ3-CG2 4.27Å; Y234-V246 HydrophobicContact CD1-CG1 4.22Å; L242-V246 HydrophobicContact CD1-CG2 4.27Å; L242-V246 HydrophobicContact CG-CG2 4.47Å; L242-V246 WeakPolarHBondContact O-CG2 3.34Å; L242-V246 PolarHBondContact O-N 3.44Å; T243-V246 PolarHBondContact O-N 3.25Å; V246-Q248 VanDerWaalsContact C-N 3.31Å; V246-Q248 PolarHBondContact O-N 3.32Å; V246-M249 HydrophobicContact CG2-SD 4.45Å; V246-M249 WeakPolarHBondContact O-CB 3.29Å; V246-M249 PolarHBondContact O-N 2.92Å; V246-M249 VanDerWaalsContact O-N 3.16Å; V246-A250 WeakPolarHBondContact O-CB 3.34Å; V246-A250 PolarHBondContact O-N 3.13Å
247K93.4Very high88.1Confident114 Ų11468.7 Ų68.750%0.49634%0.34SS..Hα-helixtrans-59.7-42.2172-173.9175-176.7173.60111.4Y234 T243 A250 T251Y234-K247 HydrophobicContact CD2-CB 4.41Å; Y234-K247 HydrophobicContact CE2-CG 4.5Å; Y234-K247 HydrophobicContact CG-CB 4.29Å; T243-K247 VanDerWaalsContact O-CB 3.22Å; T243-K247 WeakPolarHBondContact O-CB 3.47Å; T243-K247 PolarHBondContact O-N 3.37Å; K247-A250 PolarHBondContact O-N 3.4Å; K247-T251 WeakPolarHBondContact O-CG2 3.37Å; K247-T251 PolarHBondContact O-N 2.76Å
248Q86.9Confident86.8Confident88 Ų8865.3 Ų65.341%0.41133%0.334SS..Hα-helixtrans-61.1-47172.8-73.7168.442.600111.6D244 R245 V246 A250 T251 V252 Y272D244-Q248 VanDerWaalsContact O-CG 3.23Å; D244-Q248 WeakPolarHBondContact O-CG 3.2Å; D244-Q248 PolarHBondContact O-N 2.86Å; D244-Q248 PolarHBondContact O-NE2 2.94Å; R245-Q248 WeakPolarHBondContact O-CB 3.27Å; R245-Q248 PolarHBondContact O-N 3.02Å; V246-Q248 VanDerWaalsContact C-N 3.31Å; V246-Q248 PolarHBondContact O-N 3.32Å; Q248-A250 VanDerWaalsContact C-N 3.34Å; Q248-A250 PolarHBondContact O-N 2.98Å; Q248-T251 WeakPolarHBondContact CA-OG1 3.35Å; Q248-T251 PolarHBondContact O-N 3.14Å; Q248-T251 PolarHBondContact O-OG1 3.02Å; Q248-V252 WeakPolarHBondContact O-CG2 3.36Å; Q248-V252 PolarHBondContact O-N 3.22Å; Q248-Y272 HydrophobicContact CG-CE1 4.37Å
249M90.1Very high85.1Confident22 Ų2264.3 Ų64.311%0.10833%0.333CS..Hα-helixtrans-56.3-47.2175.6-67.6160.2165.200111.5V213 D217 W223 R245 V246 T251 V252 Q253V213-M249 HydrophobicContact CG1-CE 4.19Å; V213-M249 HydrophobicContact CG1-SD 3.99Å; D217-M249 HydrophobicContact CB-CE 4.15Å; D217-M249 HydrophobicContact CB-SD 4.46Å; W223-M249 HydrophobicContact CG-CB 4.19Å; W223-M249 HydrophobicContact CZ2-SD 4.31Å; R245-M249 HydrophobicContact CG-CE 3.92Å; R245-M249 HydrophobicContact CG-SD 4.29Å; R245-M249 WeakPolarHBondContact O-CG 3.44Å; R245-M249 PolarHBondContact O-N 2.67Å; V246-M249 HydrophobicContact CG2-SD 4.45Å; V246-M249 WeakPolarHBondContact O-CB 3.29Å; V246-M249 PolarHBondContact O-N 2.92Å; V246-M249 VanDerWaalsContact O-N 3.16Å; M249-T251 PolarHBondContact O-N 3.07Å; M249-V252 PolarHBondContact O-N 3.49Å; M249-Q253 WeakPolarHBondContact O-CG 3.34Å; M249-Q253 PolarHBondContact O-N 2.94Å
250A91.6Very high83.1Confident1 Ų172 Ų721%0.00837%0.367CS..Hα-helixtrans-59.3-43.3175.800000112.6W223 N224 Y234 V246 K247 Q248 V252 Q253 N254W223-A250 HydrophobicContact CB-CB 3.72Å; N224-A250 PolarHBondContact ND2-O 3.24Å; Y234-A250 HydrophobicContact CD1-CB 4.23Å; Y234-A250 HydrophobicContact CE1-CB 3.82Å; V246-A250 WeakPolarHBondContact O-CB 3.34Å; V246-A250 PolarHBondContact O-N 3.13Å; K247-A250 PolarHBondContact O-N 3.4Å; Q248-A250 VanDerWaalsContact C-N 3.34Å; Q248-A250 PolarHBondContact O-N 2.98Å; A250-V252 VanDerWaalsContact C-N 3.33Å; A250-V252 PolarHBondContact O-N 3.38Å; A250-Q253 PolarHBondContact O-N 2.75Å; A250-N254 PolarHBondContact O-N 2.85Å; A250-N254 PolarHBondContact O-ND2 3.45Å
251T86.4Confident81.2Confident53 Ų5375.8 Ų75.833%0.32537%0.369SS..Hα-helixtrans-63.6-38.217665.30000112.4K247 Q248 M249 N254 M255K247-T251 WeakPolarHBondContact O-CG2 3.37Å; K247-T251 PolarHBondContact O-N 2.76Å; Q248-T251 WeakPolarHBondContact CA-OG1 3.35Å; Q248-T251 PolarHBondContact O-N 3.14Å; Q248-T251 PolarHBondContact O-OG1 3.02Å; M249-T251 PolarHBondContact O-N 3.07Å; T251-N254 PolarHBondContact O-N 3.23Å; T251-M255 VanDerWaalsContact O-CG 3.27Å; T251-M255 WeakPolarHBondContact O-CG 3.28Å; T251-M255 PolarHBondContact O-N 3.46Å
252V81.1Confident79.2Confident34 Ų3474.9 Ų74.921%0.20637%0.37CS..Hα-helixtrans-66-42.1176.6171.80000110.7Q248 M249 A250 M255 M256 Y272Q248-V252 WeakPolarHBondContact O-CG2 3.36Å; Q248-V252 PolarHBondContact O-N 3.22Å; M249-V252 PolarHBondContact O-N 3.49Å; A250-V252 VanDerWaalsContact C-N 3.33Å; A250-V252 PolarHBondContact O-N 3.38Å; V252-M255 PolarHBondContact O-N 3.24Å; V252-M256 HydrophobicContact CG1-CE 3.71Å; V252-M256 HydrophobicContact CG1-CG 4.49Å; V252-M256 HydrophobicContact CG1-SD 4.35Å; V252-M256 WeakPolarHBondContact O-CG 3.21Å; V252-M256 PolarHBondContact O-N 3.35Å; V252-Y272 HydrophobicContact CG2-CD1 4.37Å; V252-Y272 HydrophobicContact CG2-CG 4.48Å
253Q85.5Confident77.2Confident36 Ų3680.3 Ų80.317%0.16841%0.408CS..Hα-helixtrans-60.4-47.8175.5-72.9-178.4-24.700112.2I221 M249 A250 M255 M256 N257I221-Q253 PolarHBondContact O-NE2 3.47Å; M249-Q253 WeakPolarHBondContact O-CG 3.34Å; M249-Q253 PolarHBondContact O-N 2.94Å; A250-Q253 PolarHBondContact O-N 2.75Å; Q253-M255 PolarHBondContact O-N 2.7Å; Q253-M256 PolarHBondContact O-N 2.93Å; Q253-N257 PolarHBondContact O-N 3.3Å
254N84.8Confident75.1Confident82 Ų8290.5 Ų90.544%0.43944%0.444SS..Hα-helixtrans-58.9-37.9176.2-71.1-24.1000111.9N224 A250 T251 S258N224-N254 PolarHBondContact ND2-OD1 3.24Å; N224-N254 VanDerWaalsContact ND2-OD1 3.14Å; N224-N254 PolarHBondContact OD1-ND2 3.42Å; A250-N254 PolarHBondContact O-N 2.85Å; A250-N254 PolarHBondContact O-ND2 3.45Å; T251-N254 PolarHBondContact O-N 3.23Å; N254-S258 PolarHBondContact O-N 2.87Å; N254-S258 VanDerWaalsContact O-N 3.14Å; N254-S258 PolarHBondContact O-OG 3.49Å
255M73.3Confident73.1Confident63 Ų6391.2 Ų91.231%0.3145%0.448SS..Hα-helixtrans-68.6-44176.9-72.2177.5-159.300112.9T251 V252 Q253 N257 S258 M269T251-M255 VanDerWaalsContact O-CG 3.27Å; T251-M255 WeakPolarHBondContact O-CG 3.28Å; T251-M255 PolarHBondContact O-N 3.46Å; V252-M255 PolarHBondContact O-N 3.24Å; Q253-M255 PolarHBondContact O-N 2.7Å; M255-N257 VanDerWaalsContact C-N 3.28Å; M255-N257 PolarHBondContact O-N 2.98Å; M255-S258 WeakPolarHBondContact CA-OG 3.44Å; M255-S258 CarbonylContact O-C 3.35Å; M255-S258 WeakPolarHBondContact O-CA 3.39Å; M255-S258 PolarHBondContact O-N 3.38Å; M255-S258 PolarHBondContact O-OG 3.32Å; M255-M269 HydrophobicContact CE-CE 3.68Å; M255-M269 HydrophobicContact SD-CE 4.12Å
256M72.8Confident71.5Confident116 Ų11688.5 Ų88.557%0.57145%0.451SS*.Hα-helixtrans-59.8-39.1176.9-73.2-177.9178.300111.7V252 Q253 S258V252-M256 HydrophobicContact CG1-CE 3.71Å; V252-M256 HydrophobicContact CG1-CG 4.49Å; V252-M256 HydrophobicContact CG1-SD 4.35Å; V252-M256 WeakPolarHBondContact O-CG 3.21Å; V252-M256 PolarHBondContact O-N 3.35Å; Q253-M256 PolarHBondContact O-N 2.93Å; M256-S258 VanDerWaalsContact C-N 3.29Å; M256-S258 PolarHBondContact O-N 2.97Å
257N72.8Confident69.8Low136 Ų13695.5 Ų95.573%0.72749%0.488SS*.Hα-helixtrans-68.9-28.2174.5-68.2-13.3000112.2Q253 M255 S259Q253-N257 PolarHBondContact O-N 3.3Å; M255-N257 VanDerWaalsContact C-N 3.28Å; M255-N257 PolarHBondContact O-N 2.98Å; N257-S259 VanDerWaalsContact C-N 3.35Å; N257-S259 PolarHBondContact O-N 2.91Å
258S69.5Low68.2Low45 Ų4594 Ų9432%0.31549%0.492SS..  trans-89.856.8175.775.30000112.9N254 M255 M256 H260 R261N254-S258 PolarHBondContact O-N 2.87Å; N254-S258 VanDerWaalsContact O-N 3.14Å; N254-S258 PolarHBondContact O-OG 3.49Å; M255-S258 WeakPolarHBondContact CA-OG 3.44Å; M255-S258 CarbonylContact O-C 3.35Å; M255-S258 WeakPolarHBondContact O-CA 3.39Å; M255-S258 PolarHBondContact O-N 3.38Å; M255-S258 PolarHBondContact O-OG 3.32Å; M256-S258 VanDerWaalsContact C-N 3.29Å; M256-S258 PolarHBondContact O-N 2.97Å; S258-H260 PolarHBondContact O-N 3.11Å; S258-R261 PolarHBondContact O-N 2.74Å
259S56.8Low67.1Low98 Ų9892.5 Ų92.569%0.68549%0.486SS*.G310 helixtrans-51.2-20.4-177.162.10000115.1N257 R261N257-S259 VanDerWaalsContact C-N 3.35Å; N257-S259 PolarHBondContact O-N 2.91Å; S259-R261 PolarHBondContact O-N 2.8Å
260H51.5Low66.1Low182 Ų18293.4 Ų93.484%0.84349%0.491SS*.G310 helixtrans-79-9.2-176-126.3-70.1000116.6S258S258-H260 PolarHBondContact O-N 3.11Å
261R50.3Low65.1Low170 Ų17095 Ų9564%0.64250%0.498SS*.G310 helixtrans-110.23.5-168.9-128.2-175.4-67.7-1690.3116.5S258 S259 S263 L265S258-R261 PolarHBondContact O-N 2.74Å; S259-R261 PolarHBondContact O-N 2.8Å; R261-S263 PolarHBondContact O-N 3.34Å; R261-L265 HydrophobicContact CB-CD1 4.44Å; R261-L265 HydrophobicContact CG-CD1 4.28Å
262F50.1Low64.2Low126 Ų12696.4 Ų96.455%0.55350%0.498SS*.THydrogen-bonded Turntrans-69.7-10.8-178.2-93.7-79.4000115.2
263S53.6Low63.7Low114 Ų11496.1 Ų96.180%0.79750%0.497SS*.THydrogen-bonded Turntrans-77.6-15.4178.963.50000114.6R261R261-S263 PolarHBondContact O-N 3.34Å
264R50.2Low63.1Low229 Ų22998 Ų9886%0.86451%0.512SS*.THydrogen-bonded Turntrans-119.3-21-173.5-97.6-174.4-168.81734.9116.7G266R264-G266 PolarHBondContact O-N 3.22Å
265L48.9Very low62.8Low104 Ų10497.4 Ų97.455%0.54551%0.512SS..SBendtrans-86.3103.8-178.6-79.9116.7000110.6R261R261-L265 HydrophobicContact CB-CD1 4.44Å; R261-L265 HydrophobicContact CG-CD1 4.28Å
266G57.8Low63.2Low45 Ų4599.5 Ų99.546%0.46452%0.516SS..  trans-66174.1-164.800000117.3R264 S268 M269R264-G266 PolarHBondContact O-N 3.22Å; G266-S268 PolarHBondContact O-N 3.02Å; G266-S268 PolarHBondContact O-OG 3.13Å; G266-M269 PolarHBondContact O-N 3.31Å
267L58.4Low63.7Low147 Ų14795.9 Ų95.977%0.7750%0.496SS*.G310 helixtrans-25-38.4179.7-114.869.7000116.7M269 L270L267-M269 PolarHBondContact O-N 3.37Å; L267-M269 VanDerWaalsContact O-N 3.09Å; L267-L270 HydrophobicContact CB-CD1 4.45Å; L267-L270 HydrophobicContact CD1-CD1 4.13Å; L267-L270 HydrophobicContact CG-CD1 3.92Å; L267-L270 WeakPolarHBondContact O-CB 3.4Å; L267-L270 PolarHBondContact O-N 3.48Å
268S60.1Low64.3Low82 Ų8293.1 Ų93.157%0.57348%0.479SS*.G310 helixtrans-50.8-28.1176.562.60000115.4G266G266-S268 PolarHBondContact O-N 3.02Å; G266-S268 PolarHBondContact O-OG 3.13Å
269M62.4Low65.2Low58 Ų5897.2 Ų97.229%0.28649%0.488SS..G310 helixtrans-99.1-6-174-58.9-57.7-76.500114.3M255 G266 L267 H271 Y272M255-M269 HydrophobicContact CE-CE 3.68Å; M255-M269 HydrophobicContact SD-CE 4.12Å; G266-M269 PolarHBondContact O-N 3.31Å; L267-M269 PolarHBondContact O-N 3.37Å; L267-M269 VanDerWaalsContact O-N 3.09Å; M269-H271 PolarHBondContact O-N 3.49Å; M269-H271 VanDerWaalsContact O-N 3.12Å; M269-Y272 HydrophobicContact CE-CD2 3.59Å; M269-Y272 HydrophobicContact CE-CE2 3.69Å; M269-Y272 PolarHBondContact O-N 2.8Å; M269-Y272 HydrophobicContact SD-CD2 3.94Å; M269-Y272 HydrophobicContact SD-CE2 3.79Å
270L70Confident66.7Low41 Ų4194.6 Ų94.622%0.21547%0.465CS..G310 helixtrans-57.1-29.6178.3-72.5168000112.4L267 Y272 S273 W276 F343L267-L270 HydrophobicContact CB-CD1 4.45Å; L267-L270 HydrophobicContact CD1-CD1 4.13Å; L267-L270 HydrophobicContact CG-CD1 3.92Å; L267-L270 WeakPolarHBondContact O-CB 3.4Å; L267-L270 PolarHBondContact O-N 3.48Å; L270-Y272 PolarHBondContact O-N 3.31Å; L270-S273 PolarHBondContact O-N 2.8Å; L270-W276 HydrophobicContact CB-CB 4.42Å; L270-W276 HydrophobicContact CD2-CB 3.92Å; L270-W276 HydrophobicContact CD2-CD2 3.52Å; L270-W276 HydrophobicContact CD2-CE3 4.04Å; L270-W276 HydrophobicContact CD2-CG 3.45Å; L270-W276 VanDerWaalsContact CD2-CG 3.45Å; L270-F343 HydrophobicContact CB-CE1 3.83Å; L270-F343 HydrophobicContact CB-CZ 4.49Å
271H69.7Low68.5Low33 Ų3386.1 Ų86.115%0.15343%0.426CS..G310 helixtrans-65.3-20.1177.2-178.6-100.9000113.5M269 R277 R342 F343M269-H271 PolarHBondContact O-N 3.49Å; M269-H271 VanDerWaalsContact O-N 3.12Å; H271-R277 VanDerWaalsContact CD2-CZ 3.47Å; H271-R277 PolarHBondContact CD2-NH1 3.35Å; H271-R277 VanDerWaalsContact CD2-NH1 3.32Å; H271-R277 PolarHBondContact CD2-NH2 2.86Å; H271-R277 PolarHBondContact CE1-NH2 3.09Å; H271-R277 VanDerWaalsContact CG-NH2 3.33Å; H271-R277 PolarHBondContact ND1-NH2 3.46Å; H271-R277 PolarHBondContact NE2-NH1 3.09Å; H271-R277 PolarHBondContact NE2-NH2 2.82Å; H271-R277 PolarHBondContact O-NE 2.98Å; H271-R277 PolarHBondContact O-NH2 2.97Å; H271-R342 PolarHBondContact CD2-O 3.36Å; H271-R342 PolarHBondContact NE2-O 2.86Å; H271-F343 HydrophobicContact CB-CD1 4.35Å; H271-F343 HydrophobicContact CB-CE1 4.09Å
272Y67.5Low70.4Confident84 Ų8480.8 Ų80.833%0.32941%0.41SS..G310 helixtrans-85.4-22.2177.4-67.6-72.2000113Q248 V252 M269 L270 P274Q248-Y272 HydrophobicContact CG-CE1 4.37Å; V252-Y272 HydrophobicContact CG2-CD1 4.37Å; V252-Y272 HydrophobicContact CG2-CG 4.48Å; M269-Y272 HydrophobicContact CE-CD2 3.59Å; M269-Y272 HydrophobicContact CE-CE2 3.69Å; M269-Y272 PolarHBondContact O-N 2.8Å; M269-Y272 HydrophobicContact SD-CD2 3.94Å; M269-Y272 HydrophobicContact SD-CE2 3.79Å; L270-Y272 PolarHBondContact O-N 3.31Å; Y272-P274 WeakPolarHBondContact O-CD 3.32Å
273S72.4Confident72.5Confident27 Ų2780.8 Ų80.819%0.18941%0.413CS..  trans-84.7120.3-178.5176.10000111.2L270 V275 W276 R277L270-S273 PolarHBondContact O-N 2.8Å; S273-V275 PolarHBondContact O-N 3.43Å; S273-W276 PolarHBondContact O-N 3.48Å; S273-W276 PolarHBondContact OG-N 2.98Å; S273-R277 WeakPolarHBondContact O-CG 3.46Å; S273-R277 PolarHBondContact O-N 3.38Å
274P72.8Confident74.4Confident75 Ų7575.8 Ų75.849%0.48738%0.378SS..Hα-helixtrans-61.4-33.7177.224.3-33000111.9Y272 Q278Y272-P274 WeakPolarHBondContact O-CD 3.32Å; P274-Q278 WeakPolarHBondContact O-CB 3.35Å; P274-Q278 PolarHBondContact O-N 2.72Å
275V78.7Confident76.5Confident71 Ų7165.3 Ų65.343%0.4334%0.339SS..Hα-helixtrans-64.4-46.9177.8179.10000111.1S273 Q278 R279S273-V275 PolarHBondContact O-N 3.43Å; V275-Q278 PolarHBondContact O-N 2.93Å; V275-R279 VanDerWaalsContact O-CG 3.31Å; V275-R279 WeakPolarHBondContact O-CG 3.19Å; V275-R279 PolarHBondContact O-N 3.3Å
276W80.1Confident78.8Confident107 Ų10762.1 Ų62.141%0.40532%0.324SS..Hα-helixtrans-70-37.9179.4-77.3111.3000112.6L270 S273 Q278 R279 I280L270-W276 HydrophobicContact CB-CB 4.42Å; L270-W276 HydrophobicContact CD2-CB 3.92Å; L270-W276 HydrophobicContact CD2-CD2 3.52Å; L270-W276 HydrophobicContact CD2-CE3 4.04Å; L270-W276 HydrophobicContact CD2-CG 3.45Å; L270-W276 VanDerWaalsContact CD2-CG 3.45Å; S273-W276 PolarHBondContact O-N 3.48Å; S273-W276 PolarHBondContact OG-N 2.98Å; W276-Q278 VanDerWaalsContact C-N 3.32Å; W276-Q278 PolarHBondContact O-N 3.27Å; W276-R279 HydrophobicContact CE3-CB 4.44Å; W276-R279 PolarHBondContact O-N 3.33Å; W276-I280 WeakPolarHBondContact O-CB 3.38Å; W276-I280 VanDerWaalsContact O-CG1 3.3Å; W276-I280 WeakPolarHBondContact O-CG1 3.48Å; W276-I280 PolarHBondContact O-N 3.11Å
277R84.6Confident80.6Confident40 Ų4065 Ų6515%0.15133%0.328CS..Hα-helixtrans-54.4-49.2170.5-72.9-178177-88.34.4111.8H271 S273 T281 R342 F343H271-R277 VanDerWaalsContact CD2-CZ 3.47Å; H271-R277 PolarHBondContact CD2-NH1 3.35Å; H271-R277 VanDerWaalsContact CD2-NH1 3.32Å; H271-R277 PolarHBondContact CD2-NH2 2.86Å; H271-R277 PolarHBondContact CE1-NH2 3.09Å; H271-R277 VanDerWaalsContact CG-NH2 3.33Å; H271-R277 PolarHBondContact ND1-NH2 3.46Å; H271-R277 PolarHBondContact NE2-NH1 3.09Å; H271-R277 PolarHBondContact NE2-NH2 2.82Å; H271-R277 PolarHBondContact O-NE 2.98Å; H271-R277 PolarHBondContact O-NH2 2.97Å; S273-R277 WeakPolarHBondContact O-CG 3.46Å; S273-R277 PolarHBondContact O-N 3.38Å; R277-T281 WeakPolarHBondContact O-CB 3.49Å; R277-T281 PolarHBondContact O-N 2.77Å; R277-T281 PolarHBondContact O-OG1 3.21Å; R277-R342 PolarHBondContact NH1-O 3.46Å; R277-F343 WeakPolarHBondContact CB-O 3.24Å; R277-F343 WeakPolarHBondContact CD-O 3.26Å; R277-F343 VanDerWaalsContact CG-O 3.27Å; R277-F343 WeakPolarHBondContact CG-O 3.46Å; R277-F343 VanDerWaalsContact NH1-C 3.34Å; R277-F343 PolarHBondContact NH1-O 3.26Å
278Q84.3Confident82.3Confident77 Ų7760.1 Ų60.136%0.3630%0.303SS..Hα-helixtrans-63.2-46.5179.2-170.61808.100111.4P274 V275 W276 T281 I282 V351P274-Q278 WeakPolarHBondContact O-CB 3.35Å; P274-Q278 PolarHBondContact O-N 2.72Å; V275-Q278 PolarHBondContact O-N 2.93Å; W276-Q278 VanDerWaalsContact C-N 3.32Å; W276-Q278 PolarHBondContact O-N 3.27Å; Q278-T281 PolarHBondContact O-N 3.19Å; Q278-I282 HydrophobicContact CG-CD1 3.92Å; Q278-I282 VanDerWaalsContact O-CG1 3.28Å; Q278-I282 WeakPolarHBondContact O-CG1 3.23Å; Q278-I282 PolarHBondContact O-N 2.81Å; Q278-V351 HydrophobicContact CG-CG1 4.31Å; Q278-V351 HydrophobicContact CG-CG2 4.38Å
279R88Confident84Confident132 Ų13256.9 Ų56.950%0.49828%0.279SS..Hα-helixtrans-59.4-48.1178.2-74.2175.4178.9-167.1-0.8112.5V275 W276 T281 I282 M283V275-R279 VanDerWaalsContact O-CG 3.31Å; V275-R279 WeakPolarHBondContact O-CG 3.19Å; V275-R279 PolarHBondContact O-N 3.3Å; W276-R279 HydrophobicContact CE3-CB 4.44Å; W276-R279 PolarHBondContact O-N 3.33Å; R279-T281 VanDerWaalsContact C-N 3.33Å; R279-T281 PolarHBondContact O-N 3.01Å; R279-I282 PolarHBondContact O-N 2.88Å; R279-M283 VanDerWaalsContact O-CG 3.3Å; R279-M283 WeakPolarHBondContact O-CG 3.3Å; R279-M283 PolarHBondContact O-N 3.28Å; R279-M283 VanDerWaalsContact O-N 3.12Å
280I89.3Confident85.5Confident43 Ų4358.1 Ų58.122%0.22129%0.286CS..Hα-helixtrans-61.8-44.2178.9-69167.2000110.2W276 I282 M283 L284 I339 F343W276-I280 WeakPolarHBondContact O-CB 3.38Å; W276-I280 VanDerWaalsContact O-CG1 3.3Å; W276-I280 WeakPolarHBondContact O-CG1 3.48Å; W276-I280 PolarHBondContact O-N 3.11Å; I280-I282 PolarHBondContact O-N 3.43Å; I280-M283 PolarHBondContact O-N 3.02Å; I280-L284 PolarHBondContact O-N 2.93Å; I280-I339 HydrophobicContact CG2-CG2 3.77Å; I280-F343 HydrophobicContact CD1-CD1 3.58Å; I280-F343 HydrophobicContact CD1-CD2 4.37Å; I280-F343 HydrophobicContact CD1-CE1 3.57Å; I280-F343 HydrophobicContact CD1-CE2 4.36Å; I280-F343 HydrophobicContact CD1-CG 3.99Å; I280-F343 HydrophobicContact CD1-CZ 3.98Å; I280-F343 HydrophobicContact CG2-CB 4.21Å; I280-F343 HydrophobicContact CG2-CD2 4.14Å; I280-F343 HydrophobicContact CG2-CG 4.12Å
281T89.2Confident86.8Confident4 Ų458 Ų583%0.02529%0.287CS..Hα-helixtrans-67-36.1-179.3-52.10000112.4R277 Q278 R279 P285 S348 M352R277-T281 WeakPolarHBondContact O-CB 3.49Å; R277-T281 PolarHBondContact O-N 2.77Å; R277-T281 PolarHBondContact O-OG1 3.21Å; Q278-T281 PolarHBondContact O-N 3.19Å; R279-T281 VanDerWaalsContact C-N 3.33Å; R279-T281 PolarHBondContact O-N 3.01Å; T281-P285 VanDerWaalsContact O-CD 3.25Å; T281-P285 WeakPolarHBondContact O-CD 3.46Å; T281-S348 VanDerWaalsContact CG2-O 3.25Å; T281-S348 WeakPolarHBondContact CG2-O 3.36Å; T281-M352 HydrophobicContact CG2-CB 3.7Å; T281-M352 HydrophobicContact CG2-CG 4.07Å; T281-M352 HydrophobicContact CG2-SD 4.35Å
282I91.1Very high88Confident57 Ų5757.5 Ų57.529%0.29229%0.287SS..Hα-helixtrans-63.4-41.6173-72.8165000111.3Q278 R279 I280 L284 P286 V351 S355Q278-I282 HydrophobicContact CG-CD1 3.92Å; Q278-I282 VanDerWaalsContact O-CG1 3.28Å; Q278-I282 WeakPolarHBondContact O-CG1 3.23Å; Q278-I282 PolarHBondContact O-N 2.81Å; R279-I282 PolarHBondContact O-N 2.88Å; I280-I282 PolarHBondContact O-N 3.43Å; I282-L284 VanDerWaalsContact C-N 3.26Å; I282-L284 PolarHBondContact O-N 3.19Å; I282-P286 WeakPolarHBondContact O-CD 3.33Å; I282-V351 HydrophobicContact CD1-CG1 3.61Å; I282-V351 HydrophobicContact CG1-CB 4.49Å; I282-V351 HydrophobicContact CG1-CG1 3.13Å; I282-S355 WeakPolarHBondContact O-CB 3.36Å; I282-S355 PolarHBondContact O-OG 3.25Å
283M92.6Very high89.2Confident126 Ų12653.5 Ų53.562%0.62127%0.271SS*.Hα-helixtrans-76.9-14.1-175-65-60.5167.300113.4R279 I280 P286 L287R279-M283 VanDerWaalsContact O-CG 3.3Å; R279-M283 WeakPolarHBondContact O-CG 3.3Å; R279-M283 PolarHBondContact O-N 3.28Å; R279-M283 VanDerWaalsContact O-N 3.12Å; I280-M283 PolarHBondContact O-N 3.02Å; M283-P286 WeakPolarHBondContact O-CD 3.35Å; M283-P286 WeakPolarHBondContact O-CG 3.34Å; M283-L287 WeakPolarHBondContact O-CB 3.29Å; M283-L287 PolarHBondContact O-N 3.49Å
284L93.7Very high90.3Very high10 Ų1057 Ų575%0.05229%0.287CS..Hα-helixtrans-69.4-51.4-173.7-177.468.5000113.4I280 I282 L287 I288 A336 I339 I340I280-L284 PolarHBondContact O-N 2.93Å; I282-L284 VanDerWaalsContact C-N 3.26Å; I282-L284 PolarHBondContact O-N 3.19Å; L284-L287 PolarHBondContact O-N 3.25Å; L284-I288 HydrophobicContact CD1-CD1 3.76Å; L284-I288 HydrophobicContact CD1-CG1 4.03Å; L284-I288 HydrophobicContact CD2-CD1 4.25Å; L284-I288 HydrophobicContact CG-CD1 3.62Å; L284-I288 HydrophobicContact CG-CG1 4.27Å; L284-I288 WeakPolarHBondContact O-CG1 3.4Å; L284-I288 PolarHBondContact O-N 2.83Å; L284-A336 HydrophobicContact CD1-CB 4.42Å; L284-I339 HydrophobicContact CD1-CD1 4.37Å; L284-I339 HydrophobicContact CD1-CG2 4.46Å; L284-I339 HydrophobicContact CD2-CG2 4.39Å; L284-I340 HydrophobicContact CD2-CD1 3.82Å; L284-I340 HydrophobicContact CD2-CG1 3.43Å; L284-I340 VanDerWaalsContact CD2-CG1 3.43Å
285P95.2Very high91.3Very high9 Ų955 Ų556%0.05827%0.273CS..Hα-helixtrans-56-49.3178.2-26.635.5000116T281 L287 I288 L289 M352 L356T281-P285 VanDerWaalsContact O-CD 3.25Å; T281-P285 WeakPolarHBondContact O-CD 3.46Å; P285-L287 VanDerWaalsContact C-N 3.31Å; P285-L287 PolarHBondContact O-N 3.47Å; P285-I288 PolarHBondContact O-N 3.38Å; P285-L289 WeakPolarHBondContact O-CG 3.13Å; P285-L289 PolarHBondContact O-N 3.25Å; P285-M352 HydrophobicContact CG-CG 3.8Å; P285-L356 HydrophobicContact CB-CB 4.01Å; P285-L356 HydrophobicContact CB-CD1 4.21Å; P285-L356 HydrophobicContact CG-CB 4.29Å
286P95.8Very high91.9Very high36 Ų3654.1 Ų54.123%0.23427%0.265CS..Hα-helixtrans-62.8-38.9178.222.1-31.8000111.9I282 M283 L289 I290 S355I282-P286 WeakPolarHBondContact O-CD 3.33Å; M283-P286 WeakPolarHBondContact O-CD 3.35Å; M283-P286 WeakPolarHBondContact O-CG 3.34Å; P286-L289 PolarHBondContact O-N 3.36Å; P286-I290 WeakPolarHBondContact O-CB 3.37Å; P286-I290 WeakPolarHBondContact O-CD1 3.44Å; P286-I290 VanDerWaalsContact O-CG1 3.24Å; P286-I290 WeakPolarHBondContact O-CG1 3.2Å; P286-I290 PolarHBondContact O-N 3.3Å; P286-S355 WeakPolarHBondContact CD-OG 3.25Å
287L95.4Very high92.5Very high105 Ų10552.6 Ų52.655%0.5526%0.264SS..Hα-helixtrans-63.4-44.4176.5-178.163000111.4M283 L284 P285 T291M283-L287 WeakPolarHBondContact O-CB 3.29Å; M283-L287 PolarHBondContact O-N 3.49Å; L284-L287 PolarHBondContact O-N 3.25Å; P285-L287 VanDerWaalsContact C-N 3.31Å; P285-L287 PolarHBondContact O-N 3.47Å; L287-T291 HydrophobicContact CD1-CG2 3.93Å; L287-T291 HydrophobicContact CG-CG2 4.34Å; L287-T291 VanDerWaalsContact O-CB 3.3Å; L287-T291 WeakPolarHBondContact O-CB 3.49Å; L287-T291 WeakPolarHBondContact O-CG2 3.45Å; L287-T291 PolarHBondContact O-N 3.03Å; L287-T291 PolarHBondContact O-OG1 2.7Å
288I95.4Very high92.8Very high45 Ų4555.3 Ų55.323%0.23128%0.275CS..Hα-helixtrans-62.7-48.4176.9-69.2171.1000110.7L284 P285 I290 T291 C292 A336L284-I288 HydrophobicContact CD1-CD1 3.76Å; L284-I288 HydrophobicContact CD1-CG1 4.03Å; L284-I288 HydrophobicContact CD2-CD1 4.25Å; L284-I288 HydrophobicContact CG-CD1 3.62Å; L284-I288 HydrophobicContact CG-CG1 4.27Å; L284-I288 WeakPolarHBondContact O-CG1 3.4Å; L284-I288 PolarHBondContact O-N 2.83Å; P285-I288 PolarHBondContact O-N 3.38Å; I288-I290 PolarHBondContact O-N 3.2Å; I288-T291 WeakPolarHBondContact CA-OG1 3.45Å; I288-T291 PolarHBondContact O-N 3.31Å; I288-T291 PolarHBondContact O-OG1 3.1Å; I288-T291 VanDerWaalsContact O-OG1 3.07Å; I288-C292 VanDerWaalsContact O-CB 3.22Å; I288-C292 WeakPolarHBondContact O-CB 3.48Å; I288-C292 PolarHBondContact O-N 3.1Å; I288-C292 PolarHBondContact O-SG 3.47Å; I288-A336 HydrophobicContact CD1-CB 3.59Å; I288-A336 HydrophobicContact CG1-CB 4.3Å
289L95.4Very high93.1Very high15 Ų1555.9 Ų55.98%0.07928%0.28CS..Hα-helixtrans-60.5-45.5-178.9-73.4175.1000111.9P285 P286 G293 L356 S359 T360 L363 F562P285-L289 WeakPolarHBondContact O-CG 3.13Å; P285-L289 PolarHBondContact O-N 3.25Å; P286-L289 PolarHBondContact O-N 3.36Å; L289-G293 PolarHBondContact O-N 2.71Å; L289-L356 HydrophobicContact CD1-CD1 4.18Å; L289-L356 HydrophobicContact CG-CD1 4.48Å; L289-S359 WeakPolarHBondContact CD1-OG 3.5Å; L289-T360 WeakPolarHBondContact CD1-OG1 3.39Å; L289-L363 HydrophobicContact CB-CD2 4.31Å; L289-F562 HydrophobicContact CD2-CZ 4.02Å; L289-F562 WeakPolarHBondContact O-CE1 3.47Å
290I95Very high93.2Very high84 Ų8450.1 Ų50.143%0.43126%0.259SS..Hα-helixtrans-65.5-48.1178.2-67.7167.8000110.5P286 I288 C292 G293 L294P286-I290 WeakPolarHBondContact O-CB 3.37Å; P286-I290 WeakPolarHBondContact O-CD1 3.44Å; P286-I290 VanDerWaalsContact O-CG1 3.24Å; P286-I290 WeakPolarHBondContact O-CG1 3.2Å; P286-I290 PolarHBondContact O-N 3.3Å; I288-I290 PolarHBondContact O-N 3.2Å; I290-C292 PolarHBondContact O-N 2.86Å; I290-G293 PolarHBondContact O-N 3.31Å; I290-L294 HydrophobicContact CG2-CD1 3.83Å; I290-L294 HydrophobicContact CG2-CG 4.31Å; I290-L294 WeakPolarHBondContact O-CB 3.26Å; I290-L294 VanDerWaalsContact O-CG 3.29Å; I290-L294 WeakPolarHBondContact O-CG 3.43Å; I290-L294 PolarHBondContact O-N 3.06Å
291T95.8Very high93.2Very high37 Ų3750 Ų5023%0.22726%0.261CS..Hα-helixtrans-64.8-40.2-179.551.40000112.2L287 I288 L294 L295 L332L287-T291 HydrophobicContact CD1-CG2 3.93Å; L287-T291 HydrophobicContact CG-CG2 4.34Å; L287-T291 VanDerWaalsContact O-CB 3.3Å; L287-T291 WeakPolarHBondContact O-CB 3.49Å; L287-T291 WeakPolarHBondContact O-CG2 3.45Å; L287-T291 PolarHBondContact O-N 3.03Å; L287-T291 PolarHBondContact O-OG1 2.7Å; I288-T291 WeakPolarHBondContact CA-OG1 3.45Å; I288-T291 PolarHBondContact O-N 3.31Å; I288-T291 PolarHBondContact O-OG1 3.1Å; I288-T291 VanDerWaalsContact O-OG1 3.07Å; T291-L294 PolarHBondContact O-N 3.33Å; T291-L295 WeakPolarHBondContact O-CB 3.2Å; T291-L295 VanDerWaalsContact O-CG 3.22Å; T291-L295 WeakPolarHBondContact O-CG 3.28Å; T291-L295 PolarHBondContact O-N 3.33Å; T291-L332 VanDerWaalsContact OG1-CD2 3.29Å; T291-L332 WeakPolarHBondContact OG1-CD2 3.49Å
292C95.7Very high93.2Very high23 Ų2351.7 Ų51.716%0.15527%0.274CS..Hα-helixtrans-58.8-50.3172.2-77.90000111.7I288 I290 L294 L295 I296 L329 L332 F562I288-C292 VanDerWaalsContact O-CB 3.22Å; I288-C292 WeakPolarHBondContact O-CB 3.48Å; I288-C292 PolarHBondContact O-N 3.1Å; I288-C292 PolarHBondContact O-SG 3.47Å; I290-C292 PolarHBondContact O-N 2.86Å; C292-L294 VanDerWaalsContact C-N 3.34Å; C292-L294 PolarHBondContact O-N 2.99Å; C292-L295 PolarHBondContact O-N 2.97Å; C292-I296 WeakPolarHBondContact O-CB 3.25Å; C292-I296 VanDerWaalsContact O-CG1 3.28Å; C292-I296 WeakPolarHBondContact O-CG1 3.27Å; C292-I296 PolarHBondContact O-N 3.42Å; C292-L329 HydrophobicContact CB-CD2 4.4Å; C292-L332 VanDerWaalsContact SG-CD2 3.56Å; C292-F562 HydrophobicContact CB-CE2 4Å; C292-F562 HydrophobicContact CB-CZ 3.94Å
293G93.4Very high93.1Very high0 Ų051.7 Ų51.70%028%0.276CS..Hα-helixtrans-59.2-43.9178.300000112.4L289 I290 N297L289-G293 PolarHBondContact O-N 2.71Å; I290-G293 PolarHBondContact O-N 3.31Å; G293-N297 WeakPolarHBondContact O-CB 3.44Å; G293-N297 PolarHBondContact O-N 3.2Å
294L94Very high93Very high101 Ų10148.1 Ų48.153%0.52926%0.259SS..Hα-helixtrans-67.1-42.3177.6-68.6176.2000112.6I290 T291 C292 I296 N297 W298I290-L294 HydrophobicContact CG2-CD1 3.83Å; I290-L294 HydrophobicContact CG2-CG 4.31Å; I290-L294 WeakPolarHBondContact O-CB 3.26Å; I290-L294 VanDerWaalsContact O-CG 3.29Å; I290-L294 WeakPolarHBondContact O-CG 3.43Å; I290-L294 PolarHBondContact O-N 3.06Å; T291-L294 PolarHBondContact O-N 3.33Å; C292-L294 VanDerWaalsContact C-N 3.34Å; C292-L294 PolarHBondContact O-N 2.99Å; L294-I296 PolarHBondContact O-N 3.12Å; L294-N297 CarbonylContact O-C 3.51Å; L294-N297 PolarHBondContact O-N 3.09Å; L294-W298 WeakPolarHBondContact O-CB 3.12Å; L294-W298 PolarHBondContact O-N 3.22Å
295L94.2Very high92.7Very high34 Ų3452 Ų5218%0.17827%0.274CS..Hα-helixtrans-63.5-41177.6-76.8173.1000112T291 C292 W298 L328 L329 L332T291-L295 WeakPolarHBondContact O-CB 3.2Å; T291-L295 VanDerWaalsContact O-CG 3.22Å; T291-L295 WeakPolarHBondContact O-CG 3.28Å; T291-L295 PolarHBondContact O-N 3.33Å; C292-L295 PolarHBondContact O-N 2.97Å; L295-W298 HydrophobicContact CD2-CE3 4.2Å; L295-W298 WeakPolarHBondContact O-CB 3.41Å; L295-W298 PolarHBondContact O-N 2.76Å; L295-L328 HydrophobicContact CD1-CB 4.37Å; L295-L328 HydrophobicContact CD2-CB 4.15Å; L295-L328 HydrophobicContact CD2-CD1 4.08Å; L295-L329 HydrophobicContact CB-CD2 4.26Å; L295-L329 HydrophobicContact CD1-CD2 4.02Å; L295-L332 HydrophobicContact CD1-CD2 4.13Å
296I92.2Very high92.5Very high51 Ų5158.6 Ų58.626%0.26230%0.304SS..Hα-helixtrans-65.5-42.5176.7-71.3167.9000110.1C292 L294 W298 K325 L329 P558 F562C292-I296 WeakPolarHBondContact O-CB 3.25Å; C292-I296 VanDerWaalsContact O-CG1 3.28Å; C292-I296 WeakPolarHBondContact O-CG1 3.27Å; C292-I296 PolarHBondContact O-N 3.42Å; L294-I296 PolarHBondContact O-N 3.12Å; I296-W298 VanDerWaalsContact C-N 3.3Å; I296-W298 PolarHBondContact O-N 2.89Å; I296-K325 PolarHBondContact O-NZ 3.49Å; I296-L329 HydrophobicContact CG1-CD1 4.27Å; I296-P558 HydrophobicContact CG2-CB 3.47Å; I296-P558 VanDerWaalsContact CG2-CB 3.47Å; I296-F562 HydrophobicContact CD1-CB 4.43Å; I296-F562 HydrophobicContact CD1-CD2 3.77Å; I296-F562 HydrophobicContact CD1-CE2 4.42Å; I296-F562 HydrophobicContact CD1-CG 4.34Å
297N91.9Very high92.2Very high75 Ų7559.5 Ų59.540%0.40131%0.31SS..Hα-helixtrans-79.1-5.8178.8-159.857.2000114.5G293 L294 D299 W559G293-N297 WeakPolarHBondContact O-CB 3.44Å; G293-N297 PolarHBondContact O-N 3.2Å; L294-N297 CarbonylContact O-C 3.51Å; L294-N297 PolarHBondContact O-N 3.09Å; N297-D299 PolarHBondContact O-N 2.99Å; N297-W559 HydrophobicContact CB-CB 4.46Å
298W92.1Very high91.9Very high97 Ų9761.7 Ų61.737%0.36732%0.323SS..  trans-67.5120.8-174.1-175.418.1000112.2L294 L295 I296 I300 T303 K325 L328L294-W298 WeakPolarHBondContact O-CB 3.12Å; L294-W298 PolarHBondContact O-N 3.22Å; L295-W298 HydrophobicContact CD2-CE3 4.2Å; L295-W298 WeakPolarHBondContact O-CB 3.41Å; L295-W298 PolarHBondContact O-N 2.76Å; I296-W298 VanDerWaalsContact C-N 3.3Å; I296-W298 PolarHBondContact O-N 2.89Å; W298-I300 HydrophobicContact CD2-CG1 3.78Å; W298-I300 HydrophobicContact CE3-CD1 4.3Å; W298-I300 HydrophobicContact CE3-CG1 3.95Å; W298-I300 HydrophobicContact CG-CG1 4.16Å; W298-I300 HydrophobicContact CZ2-CG1 4.44Å; W298-I300 HydrophobicContact CZ3-CG1 4.37Å; W298-I300 PolarHBondContact O-N 3.11Å; W298-T303 HydrophobicContact CZ2-CG2 4.06Å; W298-T303 PolarHBondContact NE1-OG1 3.16Å; W298-K325 WeakPolarHBondContact O-CE 3.32Å; W298-K325 PolarHBondContact O-NZ 2.69Å; W298-L328 HydrophobicContact CE3-CD1 4.12Å; W298-L328 HydrophobicContact CZ3-CD1 3.56Å
299D90.3Very high91.6Very high89 Ų8967.2 Ų67.248%0.47635%0.345SS..  trans-83.988.4171.2-1759000111N297 P301 S302 T303N297-D299 PolarHBondContact O-N 2.99Å; D299-P301 VanDerWaalsContact OD1-CD 3.29Å; D299-P301 WeakPolarHBondContact OD1-CD 3.4Å; D299-S302 WeakPolarHBondContact CB-OG 3.46Å; D299-S302 PolarHBondContact O-OG 3.46Å; D299-S302 WeakPolarHBondContact OD2-CB 3.39Å; D299-S302 PolarHBondContact OD2-OG 3Å; D299-T303 WeakPolarHBondContact O-CB 3.18Å; D299-T303 PolarHBondContact O-N 3.43Å; D299-T303 VanDerWaalsContact O-N 3.13Å; D299-T303 PolarHBondContact O-OG1 3.34Å
300I90.2Very high91.2Very high12 Ų1268.3 Ų68.36%0.06235%0.351CS..Hα-helixtrans-61.6-47.5-178.2-66.1174.2000111.7W298 S302 T303 L304 I321 T324 K325W298-I300 HydrophobicContact CD2-CG1 3.78Å; W298-I300 HydrophobicContact CE3-CD1 4.3Å; W298-I300 HydrophobicContact CE3-CG1 3.95Å; W298-I300 HydrophobicContact CG-CG1 4.16Å; W298-I300 HydrophobicContact CZ2-CG1 4.44Å; W298-I300 HydrophobicContact CZ3-CG1 4.37Å; W298-I300 PolarHBondContact O-N 3.11Å; I300-S302 PolarHBondContact O-N 3.33Å; I300-T303 PolarHBondContact O-N 3.17Å; I300-L304 HydrophobicContact CG2-CD1 3.61Å; I300-L304 HydrophobicContact CG2-CG 4.11Å; I300-L304 WeakPolarHBondContact O-CB 3.33Å; I300-L304 WeakPolarHBondContact O-CG 3.45Å; I300-L304 PolarHBondContact O-N 2.97Å; I300-I321 HydrophobicContact CB-CG2 4.36Å; I300-I321 HydrophobicContact CD1-CG2 4.19Å; I300-T324 HydrophobicContact CD1-CG2 4.04Å; I300-K325 HydrophobicContact CD1-CG 3.81Å
301P89Confident90.7Very high40 Ų4070.2 Ų70.226%0.2636%0.362SS..Hα-helixtrans-54.9-49.5177.5-29.735.6000114.6D299 T303 L304 Y305 I310 I321D299-P301 VanDerWaalsContact OD1-CD 3.29Å; D299-P301 WeakPolarHBondContact OD1-CD 3.4Å; P301-T303 VanDerWaalsContact C-N 3.32Å; P301-T303 PolarHBondContact O-N 2.89Å; P301-L304 PolarHBondContact O-N 3.33Å; P301-Y305 WeakPolarHBondContact O-CB 3.38Å; P301-Y305 PolarHBondContact O-N 2.83Å; P301-I310 WeakPolarHBondContact O-CD1 3.3Å; P301-I321 HydrophobicContact CG-CD1 3.43Å; P301-I321 VanDerWaalsContact CG-CD1 3.43Å; P301-I321 HydrophobicContact CG-CG1 4.28Å
302S88.2Confident90Very high40 Ų4076.2 Ų76.228%0.2839%0.388SS..Hα-helixtrans-66.8-37.1179.563.20000111.9D299 I300 Y305 H306D299-S302 WeakPolarHBondContact CB-OG 3.46Å; D299-S302 PolarHBondContact O-OG 3.46Å; D299-S302 WeakPolarHBondContact OD2-CB 3.39Å; D299-S302 PolarHBondContact OD2-OG 3Å; I300-S302 PolarHBondContact O-N 3.33Å; S302-Y305 PolarHBondContact O-N 3.35Å; S302-H306 WeakPolarHBondContact O-CB 2.92Å; S302-H306 PolarHBondContact O-CD2 3.03Å; S302-H306 VanDerWaalsContact O-CD2 3.23Å; S302-H306 PolarHBondContact O-N 2.82Å
303T89.3Confident89.3Confident56 Ų5680.2 Ų80.234%0.34442%0.416SS..Hα-helixtrans-62.2-45.4175.7-55.40000111.2W298 D299 I300 P301 Y305 H306 S307W298-T303 HydrophobicContact CZ2-CG2 4.06Å; W298-T303 PolarHBondContact NE1-OG1 3.16Å; D299-T303 WeakPolarHBondContact O-CB 3.18Å; D299-T303 PolarHBondContact O-N 3.43Å; D299-T303 VanDerWaalsContact O-N 3.13Å; D299-T303 PolarHBondContact O-OG1 3.34Å; I300-T303 PolarHBondContact O-N 3.17Å; P301-T303 VanDerWaalsContact C-N 3.32Å; P301-T303 PolarHBondContact O-N 2.89Å; T303-Y305 VanDerWaalsContact C-N 3.32Å; T303-Y305 PolarHBondContact O-N 3.11Å; T303-H306 PolarHBondContact O-N 3.28Å; T303-S307 WeakPolarHBondContact O-CB 3.48Å; T303-S307 PolarHBondContact O-N 3.48Å; T303-S307 PolarHBondContact O-OG 3.36Å
304L90.2Very high88.8Confident51 Ų5182.6 Ų82.627%0.26743%0.432SS..Hα-helixtrans-65.7-34.5177.2-74.6172.7000112.4I300 P301 S307 N308 F309 I310 I316I300-L304 HydrophobicContact CG2-CD1 3.61Å; I300-L304 HydrophobicContact CG2-CG 4.11Å; I300-L304 WeakPolarHBondContact O-CB 3.33Å; I300-L304 WeakPolarHBondContact O-CG 3.45Å; I300-L304 PolarHBondContact O-N 2.97Å; P301-L304 PolarHBondContact O-N 3.33Å; L304-S307 WeakPolarHBondContact CA-OG 3.29Å; L304-S307 PolarHBondContact O-OG 2.74Å; L304-N308 PolarHBondContact O-N 3.03Å; L304-F309 HydrophobicContact CD2-CB 3.97Å; L304-F309 HydrophobicContact CD2-CD2 4.38Å; L304-F309 HydrophobicContact CD2-CG 4.29Å; L304-F309 PolarHBondContact O-N 3Å; L304-I310 HydrophobicContact CB-CD1 3.74Å; L304-I310 HydrophobicContact CB-CG1 3.93Å; L304-I310 HydrophobicContact CB-CG2 4.17Å; L304-I310 PolarHBondContact O-N 2.73Å; L304-I316 HydrophobicContact CD1-CD1 3.52Å
305Y89.1Confident88.3Confident92 Ų9287.6 Ų87.636%0.36145%0.45SS..Hα-helixtrans-66.9-51.2174.4171.3-108.5000111.4P301 S302 T303 S307 N308 Q312P301-Y305 WeakPolarHBondContact O-CB 3.38Å; P301-Y305 PolarHBondContact O-N 2.83Å; S302-Y305 PolarHBondContact O-N 3.35Å; T303-Y305 VanDerWaalsContact C-N 3.32Å; T303-Y305 PolarHBondContact O-N 3.11Å; Y305-S307 PolarHBondContact O-N 3.01Å; Y305-N308 PolarHBondContact O-N 2.97Å; Y305-Q312 HydrophobicContact CD2-CB 4.14Å; Y305-Q312 HydrophobicContact CE2-CB 3.58Å; Y305-Q312 HydrophobicContact CE2-CG 4.19Å
306H89.9Confident87.8Confident148 Ų14888.2 Ų88.269%0.68545%0.453SS*.Hα-helixtrans-64.3-25.3178.6-80.6-62.8000113.7S302 T303 N308S302-H306 WeakPolarHBondContact O-CB 2.92Å; S302-H306 PolarHBondContact O-CD2 3.03Å; S302-H306 VanDerWaalsContact O-CD2 3.23Å; S302-H306 PolarHBondContact O-N 2.82Å; T303-H306 PolarHBondContact O-N 3.28Å; H306-N308 VanDerWaalsContact C-N 3.3Å
307S90Very high87.7Confident54 Ų5488.8 Ų88.838%0.37846%0.462SS..THydrogen-bonded Turntrans-89.310.3174.650.20000113.7T303 L304 Y305 F309T303-S307 WeakPolarHBondContact O-CB 3.48Å; T303-S307 PolarHBondContact O-N 3.48Å; T303-S307 PolarHBondContact O-OG 3.36Å; L304-S307 WeakPolarHBondContact CA-OG 3.29Å; L304-S307 PolarHBondContact O-OG 2.74Å; Y305-S307 PolarHBondContact O-N 3.01Å; S307-F309 WeakPolarHBondContact O-CD2 3.4Å; S307-F309 PolarHBondContact O-N 3.1Å; S307-F309 WeakPolarHBondContact OG-CD2 3.37Å
308N88.5Confident87.5Confident151 Ų15188.6 Ų88.681%0.80747%0.466SS*.THydrogen-bonded Turntrans5921.3178.6-61.5-33.5000114.9L304 Y305 H306L304-N308 PolarHBondContact O-N 3.03Å; Y305-N308 PolarHBondContact O-N 2.97Å; H306-N308 VanDerWaalsContact C-N 3.3Å
309F88.5Confident87.4Confident161 Ų16193 Ų9371%0.70648%0.483SS*.SBendtrans-80.3-26.3174.8-79.5-83.2000112.6L304 S307L304-F309 HydrophobicContact CD2-CB 3.97Å; L304-F309 HydrophobicContact CD2-CD2 4.38Å; L304-F309 HydrophobicContact CD2-CG 4.29Å; L304-F309 PolarHBondContact O-N 3Å; S307-F309 WeakPolarHBondContact O-CD2 3.4Å; S307-F309 PolarHBondContact O-N 3.1Å; S307-F309 WeakPolarHBondContact OG-CD2 3.37Å
310I87Confident87.5Confident38 Ų3893.1 Ų93.120%0.19548%0.482CS..SBendtrans-135.9151.1-178.674.7177.1000111.2P301 L304 S314 I316P301-I310 WeakPolarHBondContact O-CD1 3.3Å; L304-I310 HydrophobicContact CB-CD1 3.74Å; L304-I310 HydrophobicContact CB-CG1 3.93Å; L304-I310 HydrophobicContact CB-CG2 4.17Å; L304-I310 PolarHBondContact O-N 2.73Å; I310-S314 VanDerWaalsContact CB-OG 3.3Å; I310-S314 WeakPolarHBondContact CB-OG 3.47Å; I310-I316 HydrophobicContact CD1-CD1 3.56Å; I310-I316 HydrophobicContact CD1-CG1 4.22Å; I310-I316 HydrophobicContact CG2-CD1 4.36Å
311N85.5Confident87.5Confident124 Ų12493.6 Ų93.666%0.66348%0.484SS*.  trans-81154.3173.1-71.3-19.6000111.3S313 S314N311-S313 PolarHBondContact O-N 2.91Å; N311-S314 WeakPolarHBondContact O-CB 3.49Å; N311-S314 PolarHBondContact O-N 3.33Å; N311-S314 PolarHBondContact O-OG 3.38Å
312Q81.2Confident87.6Confident164 Ų16497.8 Ų97.877%0.76650%0.496SS*.THydrogen-bonded Turntrans-54.8-28.6179-165.6176.41.200113.7Y305Y305-Q312 HydrophobicContact CD2-CB 4.14Å; Y305-Q312 HydrophobicContact CE2-CB 3.58Å; Y305-Q312 HydrophobicContact CE2-CG 4.19Å
313S80.5Confident87.8Confident106 Ų10697.5 Ų97.574%0.74149%0.494SS*.THydrogen-bonded Turntrans-84.1-9.1179.358.90000114.4N311 K315N311-S313 PolarHBondContact O-N 2.91Å; S313-K315 PolarHBondContact O-N 3.34Å
314S82.2Confident88.1Confident50 Ų5097.4 Ų97.435%0.3549%0.494SS..  trans-74122.1-177.767.50000110.9I310 N311I310-S314 VanDerWaalsContact CB-OG 3.3Å; I310-S314 WeakPolarHBondContact CB-OG 3.47Å; N311-S314 WeakPolarHBondContact O-CB 3.49Å; N311-S314 PolarHBondContact O-N 3.33Å; N311-S314 PolarHBondContact O-OG 3.38Å
315K83.3Confident88.2Confident207 Ų20796.6 Ų96.690%0.949%0.488SS*.  trans-93.6103.3174-70.2-175.9-179.9-1800109.1S313S313-K315 PolarHBondContact O-N 3.34Å
316I85.6Confident88.5Confident46 Ų4698.6 Ų98.624%0.23650%0.499CS..  trans-74.2129.9169.8-59175.5000108.3L304 I310 S318 I320 I321L304-I316 HydrophobicContact CD1-CD1 3.52Å; I310-I316 HydrophobicContact CD1-CD1 3.56Å; I310-I316 HydrophobicContact CD1-CG1 4.22Å; I310-I316 HydrophobicContact CG2-CD1 4.36Å; I316-S318 PolarHBondContact O-N 3.35Å; I316-I320 HydrophobicContact CG2-CB 4.23Å; I316-I320 HydrophobicContact CG2-CG2 4.32Å; I316-I321 HydrophobicContact CB-CD1 4.32Å; I316-I321 HydrophobicContact CB-CG1 4.42Å; I316-I321 HydrophobicContact CG2-CD1 4.12Å; I316-I321 HydrophobicContact CG2-CG1 3.7Å
317S89.6Confident88.8Confident64 Ų6497 Ų9745%0.44850%0.495SS..  trans-59131174.2174.20000110.7W319 I320 I321S317-W319 PolarHBondContact O-N 3.41Å; S317-W319 VanDerWaalsContact O-N 3.12Å; S317-W319 PolarHBondContact OG-N 2.83Å; S317-I320 WeakPolarHBondContact O-CB 3.39Å; S317-I320 PolarHBondContact O-N 3.47Å; S317-I321 PolarHBondContact O-N 2.82Å
318S86.7Confident89Confident70 Ų7096.9 Ų96.949%0.4949%0.489SS..Hα-helixtrans-54.2-33.9176.8-520000112.2I316 I320 I321 Y322I316-S318 PolarHBondContact O-N 3.35Å; S318-I320 VanDerWaalsContact C-N 3.32Å; S318-I320 PolarHBondContact O-N 3.43Å; S318-I321 WeakPolarHBondContact O-CB 3.18Å; S318-I321 PolarHBondContact O-N 3.5Å; S318-Y322 WeakPolarHBondContact O-CD2 3.34Å; S318-Y322 PolarHBondContact O-N 3.43Å
319W91.1Very high89.4Confident191 Ų19192.1 Ų92.172%0.72346%0.464SS*.Hα-helixtrans-63.8-36177.9-168.475.1000112.8S317 S323S317-W319 PolarHBondContact O-N 3.41Å; S317-W319 VanDerWaalsContact O-N 3.12Å; S317-W319 PolarHBondContact OG-N 2.83Å; W319-S323 WeakPolarHBondContact O-CB 3.34Å; W319-S323 PolarHBondContact O-N 2.95Å; W319-S323 PolarHBondContact O-OG 3.34Å
320I91.2Very high89.7Confident90 Ų9088.4 Ų88.446%0.46245%0.45SS..Hα-helixtrans-66.9-43.1175.7-63.1172.4000109.8I316 S317 S318 S323 T324I316-I320 HydrophobicContact CG2-CB 4.23Å; I316-I320 HydrophobicContact CG2-CG2 4.32Å; S317-I320 WeakPolarHBondContact O-CB 3.39Å; S317-I320 PolarHBondContact O-N 3.47Å; S318-I320 VanDerWaalsContact C-N 3.32Å; S318-I320 PolarHBondContact O-N 3.43Å; I320-S323 PolarHBondContact O-N 2.89Å; I320-T324 WeakPolarHBondContact O-CB 3.36Å; I320-T324 PolarHBondContact O-N 3.36Å; I320-T324 PolarHBondContact O-OG1 3.19Å
321I90.1Very high90.2Very high22 Ų2290.9 Ų90.911%0.11346%0.464CS..Hα-helixtrans-61.1-51.7178.7-60.5169.3000109.9I300 P301 I316 S317 S318 T324 K325I300-I321 HydrophobicContact CB-CG2 4.36Å; I300-I321 HydrophobicContact CD1-CG2 4.19Å; P301-I321 HydrophobicContact CG-CD1 3.43Å; P301-I321 VanDerWaalsContact CG-CD1 3.43Å; P301-I321 HydrophobicContact CG-CG1 4.28Å; I316-I321 HydrophobicContact CB-CD1 4.32Å; I316-I321 HydrophobicContact CB-CG1 4.42Å; I316-I321 HydrophobicContact CG2-CD1 4.12Å; I316-I321 HydrophobicContact CG2-CG1 3.7Å; S317-I321 PolarHBondContact O-N 2.82Å; S318-I321 WeakPolarHBondContact O-CB 3.18Å; S318-I321 PolarHBondContact O-N 3.5Å; I321-T324 PolarHBondContact O-N 2.81Å; I321-K325 WeakPolarHBondContact O-CG 3.24Å; I321-K325 PolarHBondContact O-N 3.48Å
322Y91.2Very high90.6Very high129 Ų12986.4 Ų86.451%0.50644%0.439SS..Hα-helixtrans-65.6-39.5179.9-62.1-49.6000112.5S318 T324 K325 F326S318-Y322 WeakPolarHBondContact O-CD2 3.34Å; S318-Y322 PolarHBondContact O-N 3.43Å; Y322-T324 VanDerWaalsContact C-N 3.33Å; Y322-T324 PolarHBondContact O-N 3.19Å; Y322-K325 PolarHBondContact O-N 2.93Å; Y322-F326 VanDerWaalsContact O-CB 3.31Å; Y322-F326 WeakPolarHBondContact O-CB 3.45Å; Y322-F326 PolarHBondContact O-N 3.43Å
323S94Very high91.3Very high34 Ų3482.4 Ų82.424%0.23843%0.429CS..Hα-helixtrans-63.3-40.1175.4-61.20000111.5W319 I320 F326 L327W319-S323 WeakPolarHBondContact O-CB 3.34Å; W319-S323 PolarHBondContact O-N 2.95Å; W319-S323 PolarHBondContact O-OG 3.34Å; I320-S323 PolarHBondContact O-N 2.89Å; S323-F326 PolarHBondContact O-N 3.37Å; S323-L327 WeakPolarHBondContact O-CB 3.47Å; S323-L327 VanDerWaalsContact O-CG 3.26Å; S323-L327 WeakPolarHBondContact O-CG 3.37Å; S323-L327 PolarHBondContact O-N 3Å
324T93.6Very high92Very high54 Ų5484.2 Ų84.233%0.33142%0.424SS..Hα-helixtrans-63.1-47.9175.9-56.40000111.3I300 I320 I321 Y322 F326 L327 L328I300-T324 HydrophobicContact CD1-CG2 4.04Å; I320-T324 WeakPolarHBondContact O-CB 3.36Å; I320-T324 PolarHBondContact O-N 3.36Å; I320-T324 PolarHBondContact O-OG1 3.19Å; I321-T324 PolarHBondContact O-N 2.81Å; Y322-T324 VanDerWaalsContact C-N 3.33Å; Y322-T324 PolarHBondContact O-N 3.19Å; T324-F326 VanDerWaalsContact C-N 3.33Å; T324-F326 PolarHBondContact O-N 2.87Å; T324-L327 PolarHBondContact O-N 3.19Å; T324-L328 HydrophobicContact CG2-CD1 4.2Å; T324-L328 WeakPolarHBondContact O-CG 3.48Å; T324-L328 PolarHBondContact O-N 2.74Å
325K93.9Very high92.6Very high33 Ų3385.6 Ų85.614%0.14343%0.427CS..Hα-helixtrans-59.1-44.7175.9-72.3-175.2175.2-171.10111.8I296 W298 I300 I321 Y322 L328 L329I296-K325 PolarHBondContact O-NZ 3.49Å; W298-K325 WeakPolarHBondContact O-CE 3.32Å; W298-K325 PolarHBondContact O-NZ 2.69Å; I300-K325 HydrophobicContact CD1-CG 3.81Å; I321-K325 WeakPolarHBondContact O-CG 3.24Å; I321-K325 PolarHBondContact O-N 3.48Å; Y322-K325 PolarHBondContact O-N 2.93Å; K325-L328 PolarHBondContact O-N 3.04Å; K325-L329 WeakPolarHBondContact O-CG 3.36Å; K325-L329 PolarHBondContact O-N 3.49Å
326F94Very high93.1Very high135 Ų13576.2 Ų76.259%0.59239%0.388SS*.Hα-helixtrans-61.9-44.2178.4-177.3-109.3000112Y322 S323 T324 L328 L329 I330Y322-F326 VanDerWaalsContact O-CB 3.31Å; Y322-F326 WeakPolarHBondContact O-CB 3.45Å; Y322-F326 PolarHBondContact O-N 3.43Å; S323-F326 PolarHBondContact O-N 3.37Å; T324-F326 VanDerWaalsContact C-N 3.33Å; T324-F326 PolarHBondContact O-N 2.87Å; F326-L328 VanDerWaalsContact C-N 3.35Å; F326-L328 PolarHBondContact O-N 2.91Å; F326-L329 PolarHBondContact O-N 3.34Å; F326-I330 HydrophobicContact CD1-CD1 3.73Å; F326-I330 HydrophobicContact CE1-CD1 3.31Å; F326-I330 HydrophobicContact CE1-CG1 4.35Å; F326-I330 HydrophobicContact CE2-CD1 4.39Å; F326-I330 HydrophobicContact CG-CD1 4.43Å; F326-I330 HydrophobicContact CZ-CD1 3.69Å; F326-I330 HydrophobicContact CZ-CG1 4.38Å; F326-I330 WeakPolarHBondContact O-CG1 3.31Å; F326-I330 PolarHBondContact O-N 3.12Å
327L96.4Very high93.5Very high114 Ų11482.1 Ų82.160%0.59741%0.407SS*.Hα-helixtrans-62.3-39.4175.5-73.4168.5000112.4S323 T324 I330 L331S323-L327 WeakPolarHBondContact O-CB 3.47Å; S323-L327 VanDerWaalsContact O-CG 3.26Å; S323-L327 WeakPolarHBondContact O-CG 3.37Å; S323-L327 PolarHBondContact O-N 3Å; T324-L327 PolarHBondContact O-N 3.19Å; L327-I330 PolarHBondContact O-N 2.79Å; L327-L331 WeakPolarHBondContact O-CB 3.42Å; L327-L331 PolarHBondContact O-N 3.47Å
328L95.7Very high93.6Very high51 Ų5185.4 Ų85.427%0.26741%0.414SS..Hα-helixtrans-67.6-37176-70.5168.7000112.6L295 W298 T324 K325 F326 L331 L332L295-L328 HydrophobicContact CD1-CB 4.37Å; L295-L328 HydrophobicContact CD2-CB 4.15Å; L295-L328 HydrophobicContact CD2-CD1 4.08Å; W298-L328 HydrophobicContact CE3-CD1 4.12Å; W298-L328 HydrophobicContact CZ3-CD1 3.56Å; T324-L328 HydrophobicContact CG2-CD1 4.2Å; T324-L328 WeakPolarHBondContact O-CG 3.48Å; T324-L328 PolarHBondContact O-N 2.74Å; K325-L328 PolarHBondContact O-N 3.04Å; F326-L328 VanDerWaalsContact C-N 3.35Å; F326-L328 PolarHBondContact O-N 2.91Å; L328-L331 PolarHBondContact O-N 3.27Å; L328-L332 WeakPolarHBondContact O-CB 3.43Å; L328-L332 PolarHBondContact O-N 3.09Å
329L95Very high93.8Very high51 Ų5184.1 Ų84.127%0.26740%0.401SS..Hα-helixtrans-66.3-38.9173.2-71.6170.1000111.7C292 L295 I296 K325 F326 L332 S333C292-L329 HydrophobicContact CB-CD2 4.4Å; L295-L329 HydrophobicContact CB-CD2 4.26Å; L295-L329 HydrophobicContact CD1-CD2 4.02Å; I296-L329 HydrophobicContact CG1-CD1 4.27Å; K325-L329 WeakPolarHBondContact O-CG 3.36Å; K325-L329 PolarHBondContact O-N 3.49Å; F326-L329 PolarHBondContact O-N 3.34Å; L329-L332 PolarHBondContact O-N 3.18Å; L329-S333 WeakPolarHBondContact O-CB 3.32Å; L329-S333 PolarHBondContact O-N 3.16Å
330I95.7Very high93.7Very high84 Ų8477.1 Ų77.143%0.43138%0.377SS..Hα-helixtrans-62.8-44.8172.1-70.9170.5000110.6F326 L327 L332 S333 F334F326-I330 HydrophobicContact CD1-CD1 3.73Å; F326-I330 HydrophobicContact CE1-CD1 3.31Å; F326-I330 HydrophobicContact CE1-CG1 4.35Å; F326-I330 HydrophobicContact CE2-CD1 4.39Å; F326-I330 HydrophobicContact CG-CD1 4.43Å; F326-I330 HydrophobicContact CZ-CD1 3.69Å; F326-I330 HydrophobicContact CZ-CG1 4.38Å; F326-I330 WeakPolarHBondContact O-CG1 3.31Å; F326-I330 PolarHBondContact O-N 3.12Å; L327-I330 PolarHBondContact O-N 2.79Å; I330-L332 PolarHBondContact O-N 2.87Å; I330-S333 WeakPolarHBondContact O-CB 3.44Å; I330-S333 PolarHBondContact O-N 3.37Å; I330-F334 PolarHBondContact O-N 3.25Å
331L96.5Very high93.5Very high90 Ų9078.5 Ų78.547%0.47139%0.385SS..Hα-helixtrans-60.6-45.1177.4177.862.8000111.4L327 L328 S333 F334 I335L327-L331 WeakPolarHBondContact O-CB 3.42Å; L327-L331 PolarHBondContact O-N 3.47Å; L328-L331 PolarHBondContact O-N 3.27Å; L331-S333 VanDerWaalsContact C-N 3.3Å; L331-S333 PolarHBondContact O-N 2.9Å; L331-F334 PolarHBondContact O-N 2.84Å; L331-I335 HydrophobicContact CD1-CD1 4.14Å; L331-I335 HydrophobicContact CD1-CG1 4.35Å; L331-I335 HydrophobicContact CG-CD1 3.95Å; L331-I335 VanDerWaalsContact O-CG1 3.32Å; L331-I335 WeakPolarHBondContact O-CG1 3.41Å; L331-I335 PolarHBondContact O-N 3.36Å
332L95.7Very high93.3Very high30 Ų3082.2 Ų82.216%0.15740%0.398CS..Hα-helixtrans-58.9-42.8174.7178.163.8000111.3T291 C292 L295 L328 L329 I330 I335 A336T291-L332 VanDerWaalsContact OG1-CD2 3.29Å; T291-L332 WeakPolarHBondContact OG1-CD2 3.49Å; C292-L332 VanDerWaalsContact SG-CD2 3.56Å; L295-L332 HydrophobicContact CD1-CD2 4.13Å; L328-L332 WeakPolarHBondContact O-CB 3.43Å; L328-L332 PolarHBondContact O-N 3.09Å; L329-L332 PolarHBondContact O-N 3.18Å; I330-L332 PolarHBondContact O-N 2.87Å; L332-I335 PolarHBondContact O-N 3.05Å; L332-A336 VanDerWaalsContact O-CB 3.3Å; L332-A336 WeakPolarHBondContact O-CB 3.35Å; L332-A336 PolarHBondContact O-N 2.89Å
333S94.6Very high92.9Very high79 Ų7977.5 Ų77.555%0.55238%0.38SS*.Hα-helixtrans-62.1-42.1175.5-173.20000112.2L329 I330 L331 A336 R337L329-S333 WeakPolarHBondContact O-CB 3.32Å; L329-S333 PolarHBondContact O-N 3.16Å; I330-S333 WeakPolarHBondContact O-CB 3.44Å; I330-S333 PolarHBondContact O-N 3.37Å; L331-S333 VanDerWaalsContact C-N 3.3Å; L331-S333 PolarHBondContact O-N 2.9Å; S333-A336 PolarHBondContact O-N 3.33Å; S333-R337 WeakPolarHBondContact O-CB 3.47Å; S333-R337 PolarHBondContact O-N 3.26Å
334F96.1Very high92.5Very high144 Ų14476.8 Ų76.863%0.63238%0.375SS*.Hα-helixtrans-64.5-44.3176-177-96.5000112I330 L331 R337 F338I330-F334 PolarHBondContact O-N 3.25Å; L331-F334 PolarHBondContact O-N 2.84Å; F334-R337 PolarHBondContact O-N 3.33Å; F334-F338 WeakPolarHBondContact O-CB 3.49Å; F334-F338 PolarHBondContact O-N 3.12Å
335I94.8Very high91.8Very high79 Ų7977 Ų7741%0.40537%0.374SS..Hα-helixtrans-62.5-46.1176-67.3166.8000110.5L331 L332 R337 F338 I339L331-I335 HydrophobicContact CD1-CD1 4.14Å; L331-I335 HydrophobicContact CD1-CG1 4.35Å; L331-I335 HydrophobicContact CG-CD1 3.95Å; L331-I335 VanDerWaalsContact O-CG1 3.32Å; L331-I335 WeakPolarHBondContact O-CG1 3.41Å; L331-I335 PolarHBondContact O-N 3.36Å; L332-I335 PolarHBondContact O-N 3.05Å; I335-R337 VanDerWaalsContact C-N 3.33Å; I335-R337 PolarHBondContact O-N 2.84Å; I335-F338 PolarHBondContact O-N 3.14Å; I335-I339 HydrophobicContact CG2-CD1 3.88Å; I335-I339 VanDerWaalsContact O-CG1 3.3Å; I335-I339 WeakPolarHBondContact O-CG1 3.33Å; I335-I339 PolarHBondContact O-N 3.02Å
336A93.9Very high90.8Very high10 Ų1082.6 Ų82.68%0.08340%0.401CS..Hα-helixtrans-59.2-45.5176.700000111.4L284 I288 L332 S333 I339 I340L284-A336 HydrophobicContact CD1-CB 4.42Å; I288-A336 HydrophobicContact CD1-CB 3.59Å; I288-A336 HydrophobicContact CG1-CB 4.3Å; L332-A336 VanDerWaalsContact O-CB 3.3Å; L332-A336 WeakPolarHBondContact O-CB 3.35Å; L332-A336 PolarHBondContact O-N 2.89Å; S333-A336 PolarHBondContact O-N 3.33Å; A336-I339 PolarHBondContact O-N 3.17Å; A336-I340 VanDerWaalsContact O-CG1 3.28Å; A336-I340 WeakPolarHBondContact O-CG1 3.45Å; A336-I340 PolarHBondContact O-N 3.28Å
337R93.1Very high89.9Confident171 Ų17183.8 Ų83.865%0.64541%0.405SS*.Hα-helixtrans-64.2-42.9177.7-171.7153-174.4155.5-0.9112.2S333 F334 I335 I339 I340 D341S333-R337 WeakPolarHBondContact O-CB 3.47Å; S333-R337 PolarHBondContact O-N 3.26Å; F334-R337 PolarHBondContact O-N 3.33Å; I335-R337 VanDerWaalsContact C-N 3.33Å; I335-R337 PolarHBondContact O-N 2.84Å; R337-I339 VanDerWaalsContact C-N 3.31Å; R337-I339 PolarHBondContact O-N 3.24Å; R337-I340 PolarHBondContact O-N 3.37Å; R337-D341 WeakPolarHBondContact O-CB 3.44Å; R337-D341 VanDerWaalsContact O-CG 3.25Å; R337-D341 PolarHBondContact O-N 3.31Å
338F92Very high89.3Confident132 Ų13278.4 Ų78.458%0.57938%0.378SS*.Hα-helixtrans-58-42.8173.2176.3-96.3000112.2F334 I335 R342F334-F338 WeakPolarHBondContact O-CB 3.49Å; F334-F338 PolarHBondContact O-N 3.12Å; I335-F338 PolarHBondContact O-N 3.14Å; F338-R342 WeakPolarHBondContact O-CB 3.16Å; F338-R342 PolarHBondContact O-N 2.88Å
339I90.1Very high88.8Confident43 Ų4380.6 Ų80.622%0.22139%0.386CS..Hα-helixtrans-66.3-42.6176.4-67.6167.9000111I280 L284 I335 A336 R337 R342 F343I280-I339 HydrophobicContact CG2-CG2 3.77Å; L284-I339 HydrophobicContact CD1-CD1 4.37Å; L284-I339 HydrophobicContact CD1-CG2 4.46Å; L284-I339 HydrophobicContact CD2-CG2 4.39Å; I335-I339 HydrophobicContact CG2-CD1 3.88Å; I335-I339 VanDerWaalsContact O-CG1 3.3Å; I335-I339 WeakPolarHBondContact O-CG1 3.33Å; I335-I339 PolarHBondContact O-N 3.02Å; A336-I339 PolarHBondContact O-N 3.17Å; R337-I339 VanDerWaalsContact C-N 3.31Å; R337-I339 PolarHBondContact O-N 3.24Å; I339-R342 PolarHBondContact O-N 3.26Å; I339-F343 HydrophobicContact CG2-CD2 4.08Å; I339-F343 WeakPolarHBondContact O-CD2 3.49Å; I339-F343 PolarHBondContact O-N 2.92Å
340I89.8Confident88.3Confident45 Ų4579 Ų7923%0.23138%0.381CS..Hα-helixtrans-62.8-50.6177.6-69.5166.2000110.2L284 A336 R337 R342 F343 S344 M352L284-I340 HydrophobicContact CD2-CD1 3.82Å; L284-I340 HydrophobicContact CD2-CG1 3.43Å; L284-I340 VanDerWaalsContact CD2-CG1 3.43Å; A336-I340 VanDerWaalsContact O-CG1 3.28Å; A336-I340 WeakPolarHBondContact O-CG1 3.45Å; A336-I340 PolarHBondContact O-N 3.28Å; R337-I340 PolarHBondContact O-N 3.37Å; I340-R342 PolarHBondContact O-N 3.44Å; I340-F343 PolarHBondContact O-N 3.39Å; I340-S344 WeakPolarHBondContact O-CA 3.48Å; I340-S344 WeakPolarHBondContact O-CB 2.95Å; I340-S344 PolarHBondContact O-N 3.12Å; I340-M352 HydrophobicContact CD1-SD 4Å; I340-M352 HydrophobicContact CG1-SD 4.23Å
341D87.3Confident88Confident118 Ų11875.2 Ų75.263%0.63136%0.362SS*.Hα-helixtrans-63.5-30-178.1-68.5-18.9000111.9R337R337-D341 WeakPolarHBondContact O-CB 3.44Å; R337-D341 VanDerWaalsContact O-CG 3.25Å; R337-D341 PolarHBondContact O-N 3.31Å
342R85.2Confident87.7Confident100 Ų10073.1 Ų73.138%0.37735%0.35SS..Hα-helixtrans-74.8-69.3170.6-169.564172.1146.4-1.3109.8H271 R277 F338 I339 I340H271-R342 PolarHBondContact CD2-O 3.36Å; H271-R342 PolarHBondContact NE2-O 2.86Å; R277-R342 PolarHBondContact NH1-O 3.46Å; F338-R342 WeakPolarHBondContact O-CB 3.16Å; F338-R342 PolarHBondContact O-N 2.88Å; I339-R342 PolarHBondContact O-N 3.26Å; I340-R342 PolarHBondContact O-N 3.44Å
343F84.2Confident87.5Confident31 Ų3174.6 Ų74.614%0.13636%0.357CS..Hα-helixtrans-87.8-22.9-162-66.8-82.7000115.3L270 H271 R277 I280 I339 I340L270-F343 HydrophobicContact CB-CE1 3.83Å; L270-F343 HydrophobicContact CB-CZ 4.49Å; H271-F343 HydrophobicContact CB-CD1 4.35Å; H271-F343 HydrophobicContact CB-CE1 4.09Å; R277-F343 WeakPolarHBondContact CB-O 3.24Å; R277-F343 WeakPolarHBondContact CD-O 3.26Å; R277-F343 VanDerWaalsContact CG-O 3.27Å; R277-F343 WeakPolarHBondContact CG-O 3.46Å; R277-F343 VanDerWaalsContact NH1-C 3.34Å; R277-F343 PolarHBondContact NH1-O 3.26Å; I280-F343 HydrophobicContact CD1-CD1 3.58Å; I280-F343 HydrophobicContact CD1-CD2 4.37Å; I280-F343 HydrophobicContact CD1-CE1 3.57Å; I280-F343 HydrophobicContact CD1-CE2 4.36Å; I280-F343 HydrophobicContact CD1-CG 3.99Å; I280-F343 HydrophobicContact CD1-CZ 3.98Å; I280-F343 HydrophobicContact CG2-CB 4.21Å; I280-F343 HydrophobicContact CG2-CD2 4.14Å; I280-F343 HydrophobicContact CG2-CG 4.12Å; I339-F343 HydrophobicContact CG2-CD2 4.08Å; I339-F343 WeakPolarHBondContact O-CD2 3.49Å; I339-F343 PolarHBondContact O-N 2.92Å; I340-F343 PolarHBondContact O-N 3.39Å
344S84.1Confident87.4Confident18 Ų1872.6 Ų72.613%0.12634%0.339CS..  trans-78.1139.8-172.7-158.80000112.7I340 S348 Q349I340-S344 WeakPolarHBondContact O-CA 3.48Å; I340-S344 WeakPolarHBondContact O-CB 2.95Å; I340-S344 PolarHBondContact O-N 3.12Å; S344-S348 WeakPolarHBondContact CA-OG 3.38Å; S344-Q349 WeakPolarHBondContact OG-CG 3.35Å
345D79.3Confident87.4Confident59 Ų5966 Ų6632%0.31631%0.311SS..  trans-132.1171.2172.369.3-2.5000108.9K347 S348 Q349D345-K347 PolarHBondContact O-N 3.4Å; D345-K347 VanDerWaalsContact O-N 3.09Å; D345-K347 PolarHBondContact OD1-N 2.87Å; D345-S348 PolarHBondContact N-OG 3.5Å; D345-S348 PolarHBondContact O-N 3.04Å; D345-S348 VanDerWaalsContact O-N 3.14Å; D345-S348 PolarHBondContact O-OG 3.11Å; D345-S348 VanDerWaalsContact O-OG 3.09Å; D345-S348 WeakPolarHBondContact OD1-CB 3.49Å; D345-S348 PolarHBondContact OD1-N 3.39Å; D345-S348 PolarHBondContact OD1-OG 3.22Å; D345-Q349 WeakPolarHBondContact O-CG 3.42Å; D345-Q349 PolarHBondContact O-N 2.85Å
346H73.9Confident87.3Confident151 Ų15165.1 Ų65.170%0.69931%0.307SS*.Hα-helixtrans-54.1-35.5-177.3179.9-76000113.2
347K75.4Confident87.3Confident159 Ų15964.8 Ų64.869%0.69130%0.303SS*.Hα-helixtrans-72-46.4179.1-70.6-175.2176.6-177.80111.6D345 A350D345-K347 PolarHBondContact O-N 3.4Å; D345-K347 VanDerWaalsContact O-N 3.09Å; D345-K347 PolarHBondContact OD1-N 2.87Å; K347-A350 PolarHBondContact O-N 2.7Å
348S83.6Confident87.3Confident2 Ų258.2 Ų58.21%0.01428%0.282CS..Hα-helixtrans-71.9-25.9179.657.50000113.2T281 S344 D345 V351 M352T281-S348 VanDerWaalsContact CG2-O 3.25Å; T281-S348 WeakPolarHBondContact CG2-O 3.36Å; S344-S348 WeakPolarHBondContact CA-OG 3.38Å; D345-S348 PolarHBondContact N-OG 3.5Å; D345-S348 PolarHBondContact O-N 3.04Å; D345-S348 VanDerWaalsContact O-N 3.14Å; D345-S348 PolarHBondContact O-OG 3.11Å; D345-S348 VanDerWaalsContact O-OG 3.09Å; D345-S348 WeakPolarHBondContact OD1-CB 3.49Å; D345-S348 PolarHBondContact OD1-N 3.39Å; D345-S348 PolarHBondContact OD1-OG 3.22Å; S348-V351 CarbonylContact O-C 3.56Å; S348-V351 WeakPolarHBondContact O-CB 3.37Å; S348-V351 PolarHBondContact O-N 2.98Å; S348-M352 PolarHBondContact O-N 2.73Å
349Q85.1Confident87.5Confident96 Ų9652.5 Ų52.545%0.44926%0.259SS..Hα-helixtrans-60.8-42.4171.5-75179.2-0.400112.5S344 D345 V351 M352 L353S344-Q349 WeakPolarHBondContact OG-CG 3.35Å; D345-Q349 WeakPolarHBondContact O-CG 3.42Å; D345-Q349 PolarHBondContact O-N 2.85Å; Q349-V351 VanDerWaalsContact C-N 3.27Å; Q349-V351 PolarHBondContact O-N 3.33Å; Q349-M352 VanDerWaalsContact O-CB 3.27Å; Q349-M352 WeakPolarHBondContact O-CB 3.47Å; Q349-M352 PolarHBondContact O-N 3.04Å; Q349-M352 VanDerWaalsContact O-N 3.16Å; Q349-L353 PolarHBondContact O-N 3.45Å
350A84.5Confident87.8Confident18 Ų1851 Ų5115%0.14925%0.252CS..Hα-helixtrans-61.8-40175.400000111.4K347 M352 L353 F354 Y494K347-A350 PolarHBondContact O-N 2.7Å; A350-M352 VanDerWaalsContact C-N 3.31Å; A350-M352 PolarHBondContact O-N 3.44Å; A350-L353 PolarHBondContact O-N 3Å; A350-F354 PolarHBondContact O-N 3.26Å; A350-Y494 HydrophobicContact CB-CE2 4.47Å
351V88.4Confident88.1Confident5 Ų549.3 Ų49.33%0.0324%0.244CC..Hα-helixtrans-67.8-30.8176.4-178.80000112Q278 I282 S348 Q349 F354 S355 Y494Q278-V351 HydrophobicContact CG-CG1 4.31Å; Q278-V351 HydrophobicContact CG-CG2 4.38Å; I282-V351 HydrophobicContact CD1-CG1 3.61Å; I282-V351 HydrophobicContact CG1-CB 4.49Å; I282-V351 HydrophobicContact CG1-CG1 3.13Å; S348-V351 CarbonylContact O-C 3.56Å; S348-V351 WeakPolarHBondContact O-CB 3.37Å; S348-V351 PolarHBondContact O-N 2.98Å; Q349-V351 VanDerWaalsContact C-N 3.27Å; Q349-V351 PolarHBondContact O-N 3.33Å; V351-F354 WeakPolarHBondContact O-CB 3.39Å; V351-F354 PolarHBondContact O-N 3.17Å; V351-S355 WeakPolarHBondContact O-CB 3.47Å; V351-S355 PolarHBondContact O-N 3.19Å; V351-Y494 HydrophobicContact CB-CE2 4.43Å; V351-Y494 HydrophobicContact CG2-CD2 4.15Å; V351-Y494 HydrophobicContact CG2-CE2 3.37Å
352M91Very high88.5Confident46 Ų4647.9 Ų47.923%0.22724%0.235CC..Hα-helixtrans-61.6-43.1175.3-166.2176.561.200111.7T281 P285 I340 S348 Q349 A350 S355 L356T281-M352 HydrophobicContact CG2-CB 3.7Å; T281-M352 HydrophobicContact CG2-CG 4.07Å; T281-M352 HydrophobicContact CG2-SD 4.35Å; P285-M352 HydrophobicContact CG-CG 3.8Å; I340-M352 HydrophobicContact CD1-SD 4Å; I340-M352 HydrophobicContact CG1-SD 4.23Å; S348-M352 PolarHBondContact O-N 2.73Å; Q349-M352 VanDerWaalsContact O-CB 3.27Å; Q349-M352 WeakPolarHBondContact O-CB 3.47Å; Q349-M352 PolarHBondContact O-N 3.04Å; Q349-M352 VanDerWaalsContact O-N 3.16Å; A350-M352 VanDerWaalsContact C-N 3.31Å; A350-M352 PolarHBondContact O-N 3.44Å; M352-S355 PolarHBondContact O-N 2.84Å; M352-L356 WeakPolarHBondContact O-CB 3.48Å; M352-L356 PolarHBondContact O-N 3.36Å
353L91.7Very high89.1Confident60 Ų6044 Ų4431%0.31422%0.222SC..Hα-helixtrans-65.4-41.5177.1-68.7174.2000111.7Q349 A350 S355 L356 A357 P491 W492Q349-L353 PolarHBondContact O-N 3.45Å; A350-L353 PolarHBondContact O-N 3Å; L353-S355 VanDerWaalsContact C-N 3.34Å; L353-S355 PolarHBondContact O-N 3.36Å; L353-L356 PolarHBondContact O-N 3.22Å; L353-A357 PolarHBondContact O-N 2.81Å; L353-P491 HydrophobicContact CB-CB 3.99Å; L353-P491 HydrophobicContact CD1-CB 3.81Å; L353-P491 HydrophobicContact CD1-CG 4.27Å; L353-W492 HydrophobicContact CD2-CH2 4.14Å; L353-W492 HydrophobicContact CD2-CZ2 4.29Å
354F92.6Very high89.7Confident38 Ų3843 Ų4317%0.16722%0.218CC..Hα-helixtrans-57.5-46.4172176.7-103.4000112A350 V351 A357 T358 F397 Y401 P491 Y494A350-F354 PolarHBondContact O-N 3.26Å; V351-F354 WeakPolarHBondContact O-CB 3.39Å; V351-F354 PolarHBondContact O-N 3.17Å; F354-A357 WeakPolarHBondContact O-CB 3.41Å; F354-A357 PolarHBondContact O-N 3.48Å; F354-T358 HydrophobicContact CE1-CG2 4.34Å; F354-T358 HydrophobicContact CE2-CG2 4.27Å; F354-T358 HydrophobicContact CZ-CG2 4.12Å; F354-T358 PolarHBondContact O-N 2.99Å; F354-T358 PolarHBondContact O-OG1 2.78Å; F354-F397 HydrophobicContact CD2-CZ 4.34Å; F354-F397 HydrophobicContact CE2-CE1 4.49Å; F354-F397 AromaticContact CE2-CE2 3.96Å; F354-F397 HydrophobicContact CE2-CE2 3.96Å; F354-F397 AromaticContact CE2-CZ 3.43Å; F354-F397 HydrophobicContact CE2-CZ 3.43Å; F354-F397 VanDerWaalsContact CE2-CZ 3.43Å; F354-F397 AromaticContact CZ-CZ 3.82Å; F354-F397 HydrophobicContact CZ-CZ 3.82Å; F354-Y401 AromaticContact CE2-CD2 3.97Å; F354-Y401 HydrophobicContact CE2-CD2 3.97Å; F354-Y401 HydrophobicContact CE2-CE2 4.3Å; F354-Y401 HydrophobicContact CZ-CD2 4.09Å; F354-Y401 HydrophobicContact CZ-CE2 4.05Å; F354-P491 WeakPolarHBondContact CA-O 3.27Å; F354-P491 VanDerWaalsContact CB-O 3.32Å; F354-P491 WeakPolarHBondContact CB-O 3.4Å; F354-P491 PolarHBondContact N-O 2.88Å; F354-Y494 VanDerWaalsContact CD2-CB 3.49Å
355S95Very high90.3Very high5 Ų542.9 Ų42.94%0.03522%0.217CC..Hα-helixtrans-63.6-41.4176.7175.30000111.9I282 P286 V351 M352 L353 A357 T358 S359I282-S355 WeakPolarHBondContact O-CB 3.36Å; I282-S355 PolarHBondContact O-OG 3.25Å; P286-S355 WeakPolarHBondContact CD-OG 3.25Å; V351-S355 WeakPolarHBondContact O-CB 3.47Å; V351-S355 PolarHBondContact O-N 3.19Å; M352-S355 PolarHBondContact O-N 2.84Å; L353-S355 VanDerWaalsContact C-N 3.34Å; L353-S355 PolarHBondContact O-N 3.36Å; S355-A357 PolarHBondContact O-N 3.5Å; S355-T358 WeakPolarHBondContact CA-OG1 3.01Å; S355-T358 PolarHBondContact O-N 2.97Å; S355-T358 PolarHBondContact O-OG1 3.23Å; S355-T358 VanDerWaalsContact O-OG1 3.06Å; S355-S359 WeakPolarHBondContact O-CB 3.23Å; S355-S359 PolarHBondContact O-N 3.49Å; S355-S359 PolarHBondContact O-OG 3.37Å
356L94.1Very high91.1Very high61 Ų6144 Ų4432%0.31922%0.222SC..Hα-helixtrans-61.1-43.5175.4179.963.4000111.9P285 L289 M352 L353 S359 T360P285-L356 HydrophobicContact CB-CB 4.01Å; P285-L356 HydrophobicContact CB-CD1 4.21Å; P285-L356 HydrophobicContact CG-CB 4.29Å; L289-L356 HydrophobicContact CD1-CD1 4.18Å; L289-L356 HydrophobicContact CG-CD1 4.48Å; M352-L356 WeakPolarHBondContact O-CB 3.48Å; M352-L356 PolarHBondContact O-N 3.36Å; L353-L356 PolarHBondContact O-N 3.22Å; L356-S359 WeakPolarHBondContact CA-OG 3.44Å; L356-S359 PolarHBondContact O-OG 3.28Å; L356-T360 VanDerWaalsContact O-CB 3.26Å; L356-T360 WeakPolarHBondContact O-CB 3.36Å; L356-T360 PolarHBondContact O-N 3.43Å; L356-T360 PolarHBondContact O-OG1 3.32Å
357A92.6Very high92.2Very high2 Ų237 Ų372%0.01719%0.19CC..Hα-helixtrans-59.4-52177.600000111.8L353 F354 S355 T361 W492L353-A357 PolarHBondContact O-N 2.81Å; F354-A357 WeakPolarHBondContact O-CB 3.41Å; F354-A357 PolarHBondContact O-N 3.48Å; S355-A357 PolarHBondContact O-N 3.5Å; A357-T361 WeakPolarHBondContact O-CB 3.32Å; A357-T361 PolarHBondContact O-N 3.37Å; A357-T361 PolarHBondContact O-OG1 2.86Å; A357-W492 HydrophobicContact CB-CE3 3.64Å; A357-W492 HydrophobicContact CB-CZ3 4.31Å
358T94.4Very high93.3Very high33 Ų3329.5 Ų29.520%0.20216%0.157CC..Hα-helixtrans-68.7-42.6-176.248.60000111.8F354 S355 T361 L362 F397F354-T358 HydrophobicContact CE1-CG2 4.34Å; F354-T358 HydrophobicContact CE2-CG2 4.27Å; F354-T358 HydrophobicContact CZ-CG2 4.12Å; F354-T358 PolarHBondContact O-N 2.99Å; F354-T358 PolarHBondContact O-OG1 2.78Å; S355-T358 WeakPolarHBondContact CA-OG1 3.01Å; S355-T358 PolarHBondContact O-N 2.97Å; S355-T358 PolarHBondContact O-OG1 3.23Å; S355-T358 VanDerWaalsContact O-OG1 3.06Å; T358-T361 PolarHBondContact O-N 3.49Å; T358-L362 VanDerWaalsContact O-CB 3.23Å; T358-L362 WeakPolarHBondContact O-CB 3.49Å; T358-L362 PolarHBondContact O-N 3.16Å; T358-F397 HydrophobicContact CG2-CE1 3.92Å; T358-F397 HydrophobicContact CG2-CE2 3.96Å; T358-F397 HydrophobicContact CG2-CZ 3.28Å
359S95.9Very high93.9Very high13 Ų1332.4 Ų32.49%0.09117%0.172CC..Hα-helixtrans-66.7-41.717757.20000112.7L289 S355 L356 L362 L363L289-S359 WeakPolarHBondContact CD1-OG 3.5Å; S355-S359 WeakPolarHBondContact O-CB 3.23Å; S355-S359 PolarHBondContact O-N 3.49Å; S355-S359 PolarHBondContact O-OG 3.37Å; L356-S359 WeakPolarHBondContact CA-OG 3.44Å; L356-S359 PolarHBondContact O-OG 3.28Å; S359-L362 PolarHBondContact O-N 2.94Å; S359-L363 VanDerWaalsContact O-CB 3.24Å; S359-L363 WeakPolarHBondContact O-CB 3.25Å; S359-L363 PolarHBondContact O-N 3.45Å
360T95.6Very high94.4Very high11 Ų1134.8 Ų34.87%0.06718%0.182CC..Hα-helixtrans-62.6-48175-54.90000110.7L289 L356 L362 L363 L364 N566 Y570L289-T360 WeakPolarHBondContact CD1-OG1 3.39Å; L356-T360 VanDerWaalsContact O-CB 3.26Å; L356-T360 WeakPolarHBondContact O-CB 3.36Å; L356-T360 PolarHBondContact O-N 3.43Å; L356-T360 PolarHBondContact O-OG1 3.32Å; T360-L362 VanDerWaalsContact C-N 3.33Å; T360-L362 PolarHBondContact O-N 3.35Å; T360-L363 WeakPolarHBondContact O-CB 3.36Å; T360-L363 PolarHBondContact O-N 3.08Å; T360-L364 HydrophobicContact CG2-CD1 4.24Å; T360-L364 HydrophobicContact CG2-CG 4.48Å; T360-L364 VanDerWaalsContact O-CG 3.31Å; T360-L364 WeakPolarHBondContact O-CG 3.42Å; T360-L364 PolarHBondContact O-N 3.46Å; T360-N566 HydrophobicContact CG2-CB 4.38Å; T360-Y570 HydrophobicContact CG2-CD1 4.2Å
361T95.5Very high94.8Very high10 Ų1036.1 Ų36.16%0.06119%0.185CC..Hα-helixtrans-60.6-43.7178.6-54.40000111.4A357 T358 L364 T365 I390 L393 W394A357-T361 WeakPolarHBondContact O-CB 3.32Å; A357-T361 PolarHBondContact O-N 3.37Å; A357-T361 PolarHBondContact O-OG1 2.86Å; T358-T361 PolarHBondContact O-N 3.49Å; T361-L364 PolarHBondContact O-N 3.01Å; T361-T365 WeakPolarHBondContact O-CB 3.37Å; T361-T365 PolarHBondContact O-N 3.02Å; T361-T365 PolarHBondContact O-OG1 2.85Å; T361-I390 HydrophobicContact CG2-CD1 4.32Å; T361-L393 HydrophobicContact CG2-CD1 3.95Å; T361-L393 HydrophobicContact CG2-CD2 3.73Å; T361-W394 HydrophobicContact CG2-CH2 4.37Å; T361-W394 HydrophobicContact CG2-CZ2 3.72Å
362L96.5Very high95.2Very high87 Ų8735.9 Ų35.946%0.45518%0.183SC..Hα-helixtrans-64.6-44177.8-176.463.1000111.7T358 S359 T360 L364 T365 I366 W394T358-L362 VanDerWaalsContact O-CB 3.23Å; T358-L362 WeakPolarHBondContact O-CB 3.49Å; T358-L362 PolarHBondContact O-N 3.16Å; S359-L362 PolarHBondContact O-N 2.94Å; T360-L362 VanDerWaalsContact C-N 3.33Å; T360-L362 PolarHBondContact O-N 3.35Å; L362-L364 PolarHBondContact O-N 3.41Å; L362-T365 PolarHBondContact O-N 3.14Å; L362-I366 HydrophobicContact CD1-CD1 3.9Å; L362-I366 HydrophobicContact CD1-CG1 4.17Å; L362-I366 HydrophobicContact CD2-CD1 4.49Å; L362-I366 HydrophobicContact CG-CD1 3.82Å; L362-I366 HydrophobicContact CG-CG1 4.43Å; L362-I366 WeakPolarHBondContact O-CB 3.13Å; L362-I366 WeakPolarHBondContact O-CG1 3.3Å; L362-I366 PolarHBondContact O-N 3.31Å; L362-W394 HydrophobicContact CB-CZ2 4.33Å; L362-W394 HydrophobicContact CD1-CZ2 4.47Å
363L96.9Very high95.4Very high18 Ų1835.5 Ų35.59%0.09418%0.183CC..Hα-helixtrans-57.9-47.8176.5176.767.6000111.8L289 S359 T360 T367 W559 F562L289-L363 HydrophobicContact CB-CD2 4.31Å; S359-L363 VanDerWaalsContact O-CB 3.24Å; S359-L363 WeakPolarHBondContact O-CB 3.25Å; S359-L363 PolarHBondContact O-N 3.45Å; T360-L363 WeakPolarHBondContact O-CB 3.36Å; T360-L363 PolarHBondContact O-N 3.08Å; L363-T367 VanDerWaalsContact O-CB 3.3Å; L363-T367 WeakPolarHBondContact O-CB 3.15Å; L363-T367 PolarHBondContact O-N 3.49Å; L363-T367 PolarHBondContact O-OG1 3.49Å; L363-W559 HydrophobicContact CD1-CH2 3.66Å; L363-W559 HydrophobicContact CD1-CZ2 3.38Å; L363-F562 HydrophobicContact CD2-CE1 3.89Å
364L97.3Very high95.5Very high10 Ų1038.6 Ų38.65%0.05220%0.2CC..Hα-helixtrans-65.3-41.2177.6-64.2-179.8000111.3T360 T361 L362 T367 Y368 F519 C563T360-L364 HydrophobicContact CG2-CD1 4.24Å; T360-L364 HydrophobicContact CG2-CG 4.48Å; T360-L364 VanDerWaalsContact O-CG 3.31Å; T360-L364 WeakPolarHBondContact O-CG 3.42Å; T360-L364 PolarHBondContact O-N 3.46Å; T361-L364 PolarHBondContact O-N 3.01Å; L362-L364 PolarHBondContact O-N 3.41Å; L364-T367 PolarHBondContact O-N 3.47Å; L364-Y368 WeakPolarHBondContact O-CB 3.43Å; L364-Y368 PolarHBondContact O-N 3.47Å; L364-F519 HydrophobicContact CB-CD2 4.06Å; L364-F519 HydrophobicContact CB-CE2 4.18Å; L364-F519 HydrophobicContact CD2-CD1 4.21Å; L364-F519 HydrophobicContact CD2-CD2 4.29Å; L364-F519 HydrophobicContact CD2-CE1 3.92Å; L364-F519 HydrophobicContact CD2-CE2 4Å; L364-F519 HydrophobicContact CD2-CG 4.42Å; L364-F519 HydrophobicContact CD2-CZ 3.83Å; L364-F519 VanDerWaalsContact O-CE2 3.31Å; L364-F519 WeakPolarHBondContact O-CE2 3.29Å; L364-C563 HydrophobicContact CD2-CB 3.77Å; L364-C563 VanDerWaalsContact CD2-O 3.31Å; L364-C563 WeakPolarHBondContact CD2-O 3.29Å
365T96.6Very high95.5Very high16 Ų1640.9 Ų40.910%0.09821%0.211CC..Hα-helixtrans-60.5-51.6177.3-570000111.3T361 L362 Y368 L369 I390T361-T365 WeakPolarHBondContact O-CB 3.37Å; T361-T365 PolarHBondContact O-N 3.02Å; T361-T365 PolarHBondContact O-OG1 2.85Å; L362-T365 PolarHBondContact O-N 3.14Å; T365-Y368 PolarHBondContact O-N 3.01Å; T365-L369 HydrophobicContact CG2-CD1 3.82Å; T365-L369 HydrophobicContact CG2-CG 4.43Å; T365-L369 WeakPolarHBondContact O-CB 3.37Å; T365-L369 WeakPolarHBondContact O-CG 3.37Å; T365-L369 PolarHBondContact O-N 2.9Å; T365-I390 HydrophobicContact CG2-CG1 4.03Å; T365-I390 WeakPolarHBondContact OG1-CD1 3.47Å
366I97Very high95.4Very high83 Ų8340.7 Ų40.743%0.42621%0.209SC..Hα-helixtrans-62.8-46.2-179.6-69.6172.2000110.3L362 Y368 L369 F370L362-I366 HydrophobicContact CD1-CD1 3.9Å; L362-I366 HydrophobicContact CD1-CG1 4.17Å; L362-I366 HydrophobicContact CD2-CD1 4.49Å; L362-I366 HydrophobicContact CG-CD1 3.82Å; L362-I366 HydrophobicContact CG-CG1 4.43Å; L362-I366 WeakPolarHBondContact O-CB 3.13Å; L362-I366 WeakPolarHBondContact O-CG1 3.3Å; L362-I366 PolarHBondContact O-N 3.31Å; I366-Y368 VanDerWaalsContact C-N 3.3Å; I366-Y368 PolarHBondContact O-N 3.48Å; I366-L369 PolarHBondContact O-N 3.46Å; I366-F370 HydrophobicContact CB-CD2 4.47Å; I366-F370 HydrophobicContact CG2-CD2 3.95Å; I366-F370 WeakPolarHBondContact O-CB 3.06Å; I366-F370 WeakPolarHBondContact O-CD2 3.46Å; I366-F370 PolarHBondContact O-N 3.37Å
367T97.1Very high95.4Very high5 Ų542 Ų423%0.03122%0.221CC..Hα-helixtrans-60.5-41.3179-59.10000111.1L363 L364 H371 I372 F519 W559 I560 C563L363-T367 VanDerWaalsContact O-CB 3.3Å; L363-T367 WeakPolarHBondContact O-CB 3.15Å; L363-T367 PolarHBondContact O-N 3.49Å; L363-T367 PolarHBondContact O-OG1 3.49Å; L364-T367 PolarHBondContact O-N 3.47Å; T367-H371 HydrophobicContact CG2-CB 4.41Å; T367-H371 WeakPolarHBondContact O-CA 3.28Å; T367-H371 WeakPolarHBondContact O-CB 3.4Å; T367-H371 PolarHBondContact O-N 3.26Å; T367-I372 PolarHBondContact O-N 2.83Å; T367-I372 VanDerWaalsContact O-N 3.11Å; T367-F519 HydrophobicContact CG2-CE2 4.21Å; T367-F519 HydrophobicContact CG2-CZ 4.1Å; T367-W559 PolarHBondContact OG1-NE1 3.28Å; T367-I560 HydrophobicContact CG2-CD1 3.48Å; T367-I560 VanDerWaalsContact CG2-CD1 3.48Å; T367-C563 HydrophobicContact CG2-CB 4.43Å
368Y98Very high95.5Very high0 Ų048.4 Ų48.40%026%0.255CS..Iπ-helixtrans-68.4-48.5179.6-166.8-82.5000112.4L364 T365 I366 I372 T373 L382 H383 F386 F519L364-Y368 WeakPolarHBondContact O-CB 3.43Å; L364-Y368 PolarHBondContact O-N 3.47Å; T365-Y368 PolarHBondContact O-N 3.01Å; I366-Y368 VanDerWaalsContact C-N 3.3Å; I366-Y368 PolarHBondContact O-N 3.48Å; Y368-I372 HydrophobicContact CD2-CB 4.34Å; Y368-I372 HydrophobicContact CD2-CD1 3.86Å; Y368-I372 HydrophobicContact CD2-CG2 4.35Å; Y368-I372 HydrophobicContact CE2-CG2 4.24Å; Y368-I372 PolarHBondContact O-N 2.89Å; Y368-T373 WeakPolarHBondContact O-CB 3.14Å; Y368-T373 PolarHBondContact O-N 2.83Å; Y368-T373 PolarHBondContact O-OG1 3.03Å; Y368-L382 WeakPolarHBondContact OH-CG 3.38Å; Y368-H383 AromaticContact CE1-ND1 3.44Å; Y368-H383 WeakPolarHBondContact CE1-ND1 3.5Å; Y368-H383 AromaticContact CZ-ND1 3.62Å; Y368-H383 PolarHBondContact OH-ND1 3.22Å; Y368-F386 VanDerWaalsContact CB-CZ 3.46Å; Y368-F386 HydrophobicContact CD1-CB 4.29Å; Y368-F386 AromaticContact CD1-CD1 3.11Å; Y368-F386 HydrophobicContact CD1-CD1 3.11Å; Y368-F386 HydrophobicContact CD1-CD2 4.05Å; Y368-F386 AromaticContact CD1-CE1 3.25Å; Y368-F386 HydrophobicContact CD1-CE1 3.25Å; Y368-F386 HydrophobicContact CD1-CE2 4.17Å; Y368-F386 AromaticContact CD1-CG 3.54Å; Y368-F386 HydrophobicContact CD1-CG 3.54Å; Y368-F386 AromaticContact CD1-CZ 3.8Å; Y368-F386 HydrophobicContact CD1-CZ 3.8Å; Y368-F386 HydrophobicContact CD2-CD1 4.36Å; Y368-F386 AromaticContact CD2-CD2 3.83Å; Y368-F386 HydrophobicContact CD2-CD2 3.83Å; Y368-F386 HydrophobicContact CD2-CE1 4.29Å; Y368-F386 AromaticContact CD2-CE2 3.76Å; Y368-F386 HydrophobicContact CD2-CE2 3.76Å; Y368-F386 HydrophobicContact CD2-CG 4.13Å; Y368-F386 AromaticContact CD2-CZ 4Å; Y368-F386 HydrophobicContact CD2-CZ 4Å; Y368-F386 HydrophobicContact CE1-CB 3.53Å; Y368-F386 AromaticContact CE1-CD1 3.25Å; Y368-F386 HydrophobicContact CE1-CD1 3.25Å; Y368-F386 AromaticContact CE1-CD2 3.98Å; Y368-F386 HydrophobicContact CE1-CD2 3.98Å; Y368-F386 AromaticContact CE1-CE1 3.91Å; Y368-F386 HydrophobicContact CE1-CE1 3.91Å; Y368-F386 AromaticContact CE1-CG 3.28Å; Y368-F386 HydrophobicContact CE1-CG 3.28Å; Y368-F386 HydrophobicContact CE2-CB 4.32Å; Y368-F386 HydrophobicContact CE2-CD1 4.47Å; Y368-F386 AromaticContact CE2-CD2 3.74Å; Y368-F386 HydrophobicContact CE2-CD2 3.74Å; Y368-F386 HydrophobicContact CE2-CE2 4.17Å; Y368-F386 AromaticContact CE2-CG 3.91Å; Y368-F386 HydrophobicContact CE2-CG 3.91Å; Y368-F386 AromaticContact CG-CD1 3.71Å; Y368-F386 HydrophobicContact CG-CD1 3.71Å; Y368-F386 AromaticContact CG-CD2 3.96Å; Y368-F386 HydrophobicContact CG-CD2 3.96Å; Y368-F386 AromaticContact CG-CE1 3.46Å; Y368-F386 HydrophobicContact CG-CE1 3.46Å; Y368-F386 VanDerWaalsContact CG-CE1 3.46Å; Y368-F386 AromaticContact CG-CE2 3.74Å; Y368-F386 HydrophobicContact CG-CE2 3.74Å; Y368-F386 AromaticContact CG-CG 3.95Å; Y368-F386 HydrophobicContact CG-CG 3.95Å; Y368-F386 AromaticContact CG-CZ 3.48Å; Y368-F386 HydrophobicContact CG-CZ 3.48Å; Y368-F386 VanDerWaalsContact CG-CZ 3.48Å; Y368-F386 AromaticContact CZ-CD1 3.95Å; Y368-F386 AromaticContact CZ-CD2 3.81Å; Y368-F386 AromaticContact CZ-CG 3.47Å; Y368-F386 VanDerWaalsContact CZ-CG 3.47Å; Y368-F386 WeakPolarHBondContact OH-CB 3.41Å; Y368-F519 HydrophobicContact CD2-CB 4.43Å; Y368-F519 AromaticContact CD2-CD2 3.82Å; Y368-F519 HydrophobicContact CD2-CD2 3.82Å; Y368-F519 HydrophobicContact CD2-CE2 4.41Å; Y368-F519 HydrophobicContact CD2-CG 4.42Å; Y368-F519 HydrophobicContact CG-CD2 4.35Å
369L96.2Very high95.5Very high64 Ų6451 Ų5134%0.33526%0.262SS..Iπ-helixtrans-70.4-42.9-174.8-67178000112.3T365 I366 F386T365-L369 HydrophobicContact CG2-CD1 3.82Å; T365-L369 HydrophobicContact CG2-CG 4.43Å; T365-L369 WeakPolarHBondContact O-CB 3.37Å; T365-L369 WeakPolarHBondContact O-CG 3.37Å; T365-L369 PolarHBondContact O-N 2.9Å; I366-L369 PolarHBondContact O-N 3.46Å; L369-F386 HydrophobicContact CD2-CE1 4.4Å
370F95.3Very high95.5Very high146 Ų14658.8 Ų58.864%0.6429%0.289SS*.Iπ-helixtrans-99.2-13.4-173.4-65.3-76.3000114.2I366 L374I366-F370 HydrophobicContact CB-CD2 4.47Å; I366-F370 HydrophobicContact CG2-CD2 3.95Å; I366-F370 WeakPolarHBondContact O-CB 3.06Å; I366-F370 WeakPolarHBondContact O-CD2 3.46Å; I366-F370 PolarHBondContact O-N 3.37Å; F370-L374 WeakPolarHBondContact O-CD1 3.36Å
371H94.2Very high95.6Very high46 Ų4662.7 Ų62.721%0.21331%0.309CS..Iπ-helixtrans-115.6-61.1177.2-162.8-19.9000112.1T367 L374 H375 Y526 N557T367-H371 HydrophobicContact CG2-CB 4.41Å; T367-H371 WeakPolarHBondContact O-CA 3.28Å; T367-H371 WeakPolarHBondContact O-CB 3.4Å; T367-H371 PolarHBondContact O-N 3.26Å; H371-L374 PolarHBondContact O-N 2.61Å; H371-H375 AromaticContact CE1-CE1 3.59Å; H371-H375 AromaticContact CE1-ND1 3.9Å; H371-H375 AromaticContact CE1-NE2 3.97Å; H371-H375 AromaticContact ND1-CE1 3.37Å; H371-H375 PolarHBondContact ND1-CE1 2.99Å; H371-H375 AromaticContact ND1-ND1 3.35Å; H371-H375 PolarHBondContact ND1-ND1 3.14Å; H371-H375 PolarHBondContact O-N 3.16Å; H371-H375 PolarHBondContact O-ND1 2.9Å; H371-Y526 AromaticContact CE1-CE2 3.8Å; H371-Y526 AromaticContact CE1-CZ 3.88Å; H371-N557 PolarHBondContact NE2-ND2 3.23Å; H371-N557 VanDerWaalsContact NE2-ND2 3.18Å
372I95.7Very high95.6Very high0 Ų063.1 Ų63.10%031%0.311CS..Iπ-helixtrans-64.4-50.4-173.7-63.5176.1000110.3T367 Y368 L374 H375 T376 F519 G522 I560T367-I372 PolarHBondContact O-N 2.83Å; T367-I372 VanDerWaalsContact O-N 3.11Å; Y368-I372 HydrophobicContact CD2-CB 4.34Å; Y368-I372 HydrophobicContact CD2-CD1 3.86Å; Y368-I372 HydrophobicContact CD2-CG2 4.35Å; Y368-I372 HydrophobicContact CE2-CG2 4.24Å; Y368-I372 PolarHBondContact O-N 2.89Å; I372-L374 VanDerWaalsContact C-N 3.29Å; I372-L374 PolarHBondContact O-N 3.47Å; I372-H375 PolarHBondContact O-N 3.27Å; I372-T376 PolarHBondContact O-N 3.26Å; I372-T376 PolarHBondContact O-OG1 3.08Å; I372-T376 VanDerWaalsContact O-OG1 3.04Å; I372-F519 HydrophobicContact CD1-CD2 4.43Å; I372-F519 HydrophobicContact CD1-CE2 3.93Å; I372-F519 HydrophobicContact CD1-CZ 3.98Å; I372-G522 WeakPolarHBondContact CG2-O 3.35Å; I372-I560 HydrophobicContact CG1-CD1 4.12Å
373T95.1Very high95.7Very high38 Ų3860.1 Ų60.123%0.23329%0.294CS..Hα-helixtrans-60.4-37.1-176.4-54.80000112.5Y368 H375 H383Y368-T373 WeakPolarHBondContact O-CB 3.14Å; Y368-T373 PolarHBondContact O-N 2.83Å; Y368-T373 PolarHBondContact O-OG1 3.03Å; T373-H375 VanDerWaalsContact C-N 3.32Å; T373-H375 PolarHBondContact O-N 3.4Å; T373-H383 HydrophobicContact CG2-CB 4.47Å; T373-H383 PolarHBondContact OG1-ND1 2.85Å
374L93.9Very high95.7Very high125 Ų12564.8 Ų64.865%0.65431%0.314SS*.Hα-helixtrans-69.2-28.6178.3-65.4-173000113.3F370 H371 I372F370-L374 WeakPolarHBondContact O-CD1 3.36Å; H371-L374 PolarHBondContact O-N 2.61Å; I372-L374 VanDerWaalsContact C-N 3.29Å; I372-L374 PolarHBondContact O-N 3.47Å
375H92.9Very high95.7Very high86 Ų8670.1 Ų70.140%0.39833%0.334SS..Hα-helixtrans-94.2-13.1-178.8-67.371.8000112.8H371 I372 T373 Y526 E530H371-H375 AromaticContact CE1-CE1 3.59Å; H371-H375 AromaticContact CE1-ND1 3.9Å; H371-H375 AromaticContact CE1-NE2 3.97Å; H371-H375 AromaticContact ND1-CE1 3.37Å; H371-H375 PolarHBondContact ND1-CE1 2.99Å; H371-H375 AromaticContact ND1-ND1 3.35Å; H371-H375 PolarHBondContact ND1-ND1 3.14Å; H371-H375 PolarHBondContact O-N 3.16Å; H371-H375 PolarHBondContact O-ND1 2.9Å; I372-H375 PolarHBondContact O-N 3.27Å; T373-H375 VanDerWaalsContact C-N 3.32Å; T373-H375 PolarHBondContact O-N 3.4Å; H375-Y526 HydrophobicContact CB-CD2 3.79Å; H375-Y526 HydrophobicContact CB-CE2 3.86Å; H375-Y526 AromaticContact CD2-CE2 3.98Å; H375-Y526 AromaticContact CG-CE2 3.84Å; H375-E530 IonicContact CD2-OE1 3.49Å
376T93.8Very high95.8Very high1 Ų169.5 Ų69.51%0.00633%0.33CS..  trans-126.246.2-177.867.50000113.9I372 N378 Y379 H383 V525I372-T376 PolarHBondContact O-N 3.26Å; I372-T376 PolarHBondContact O-OG1 3.08Å; I372-T376 VanDerWaalsContact O-OG1 3.04Å; T376-N378 PolarHBondContact O-N 3.38Å; T376-Y379 PolarHBondContact O-N 3.34Å; T376-H383 PolarHBondContact O-NE2 3.23Å; T376-H383 PolarHBondContact OG1-CE1 3.18Å; T376-H383 PolarHBondContact OG1-NE2 3.45Å; T376-V525 HydrophobicContact CG2-CG1 3.93Å
377P93.1Very high95.8Very high87 Ų8769.8 Ų69.857%0.56533%0.332SS*.THydrogen-bonded Turntrans-59.9-24.5-169.725.6-36.1000114.6Y379P377-Y379 PolarHBondContact O-N 2.96Å
378N94.5Very high95.9Very high138 Ų13873.5 Ų73.574%0.73835%0.347SS*.THydrogen-bonded Turntrans-67.5-19.8-179.9-62.9-21.4000113.3T376 W380T376-N378 PolarHBondContact O-N 3.38Å; N378-W380 VanDerWaalsContact C-N 3.28Å; N378-W380 PolarHBondContact O-N 2.98Å
379Y95.5Very high95.9Very high87 Ų8775.7 Ų75.734%0.34136%0.357SS..  trans-93.243.6-174.6-66.9-100.7000112.2T376 P377 I381 L382 H383 V525 N529T376-Y379 PolarHBondContact O-N 3.34Å; P377-Y379 PolarHBondContact O-N 2.96Å; Y379-I381 VanDerWaalsContact C-N 3.27Å; Y379-I381 PolarHBondContact O-N 3.33Å; Y379-I381 VanDerWaalsContact O-N 3.15Å; Y379-L382 WeakPolarHBondContact O-CB 3.33Å; Y379-L382 PolarHBondContact O-N 2.94Å; Y379-H383 PolarHBondContact O-CD2 2.8Å; Y379-H383 PolarHBondContact O-N 3Å; Y379-V525 HydrophobicContact CD1-CG1 3.72Å; Y379-V525 HydrophobicContact CD1-CG2 4.15Å; Y379-V525 HydrophobicContact CD2-CG1 3.52Å; Y379-V525 HydrophobicContact CE1-CG1 3.65Å; Y379-V525 HydrophobicContact CE1-CG2 4.05Å; Y379-V525 HydrophobicContact CE2-CG1 3.5Å; Y379-V525 HydrophobicContact CG-CG1 3.64Å; Y379-N529 WeakPolarHBondContact CE2-ND2 3.32Å
380W94.8Very high96Very high176 Ų17673 Ų7367%0.66734%0.343SS*.Hα-helixtrans-56.6-34-172.769.8-88.1000114.3N378 L382 H383 F384N378-W380 VanDerWaalsContact C-N 3.28Å; N378-W380 PolarHBondContact O-N 2.98Å; W380-L382 VanDerWaalsContact C-N 3.34Å; W380-L382 PolarHBondContact O-N 3.36Å; W380-H383 PolarHBondContact O-N 2.84Å; W380-F384 WeakPolarHBondContact O-CB 3.29Å; W380-F384 PolarHBondContact O-N 3.3Å
381I97.2Very high96.1Very high94 Ų9469 Ų6948%0.48233%0.331SS..Hα-helixtrans-62.7-42.3176.5-61.6174.3000110.8Y379 F384 W385Y379-I381 VanDerWaalsContact C-N 3.27Å; Y379-I381 PolarHBondContact O-N 3.33Å; Y379-I381 VanDerWaalsContact O-N 3.15Å; I381-F384 PolarHBondContact O-N 3Å; I381-W385 PolarHBondContact O-N 3.49Å; I381-W385 VanDerWaalsContact O-N 3.08Å
382L97.1Very high96.3Very high19 Ų1970.4 Ų70.410%0.09934%0.338CS..Hα-helixtrans-64.7-44.4177.4178.865.6000110.7Y368 Y379 W380 W385 F386 L518 L521 V525Y368-L382 WeakPolarHBondContact OH-CG 3.38Å; Y379-L382 WeakPolarHBondContact O-CB 3.33Å; Y379-L382 PolarHBondContact O-N 2.94Å; W380-L382 VanDerWaalsContact C-N 3.34Å; W380-L382 PolarHBondContact O-N 3.36Å; L382-W385 PolarHBondContact O-N 3.45Å; L382-F386 WeakPolarHBondContact O-CB 3.17Å; L382-F386 PolarHBondContact O-N 2.88Å; L382-L518 HydrophobicContact CD1-CD2 3.81Å; L382-L521 HydrophobicContact CD1-CB 4.37Å; L382-L521 HydrophobicContact CD1-CD2 3.62Å; L382-L521 HydrophobicContact CD1-CG 3.97Å; L382-L521 HydrophobicContact CD2-CG 4.32Å; L382-V525 HydrophobicContact CD2-CG2 4.23Å
383H97Very high96.4Very high23 Ų2370.5 Ų70.511%0.10634%0.338CS..Hα-helixtrans-64.8-38.6177.1-58.4-50.9000112.5Y368 T373 T376 Y379 W380 F386 L387Y368-H383 AromaticContact CE1-ND1 3.44Å; Y368-H383 WeakPolarHBondContact CE1-ND1 3.5Å; Y368-H383 AromaticContact CZ-ND1 3.62Å; Y368-H383 PolarHBondContact OH-ND1 3.22Å; T373-H383 HydrophobicContact CG2-CB 4.47Å; T373-H383 PolarHBondContact OG1-ND1 2.85Å; T376-H383 PolarHBondContact O-NE2 3.23Å; T376-H383 PolarHBondContact OG1-CE1 3.18Å; T376-H383 PolarHBondContact OG1-NE2 3.45Å; Y379-H383 PolarHBondContact O-CD2 2.8Å; Y379-H383 PolarHBondContact O-N 3Å; W380-H383 PolarHBondContact O-N 2.84Å; H383-F386 PolarHBondContact O-N 3.11Å; H383-L387 WeakPolarHBondContact O-CB 3.45Å; H383-L387 PolarHBondContact O-N 3.46Å
384F97.6Very high96.5Very high117 Ų11772 Ų7251%0.51334%0.34SS..Hα-helixtrans-59.4-51174.3173.2-93.5000111.5W380 I381 F386 L387 F388W380-F384 WeakPolarHBondContact O-CB 3.29Å; W380-F384 PolarHBondContact O-N 3.3Å; I381-F384 PolarHBondContact O-N 3Å; F384-F386 PolarHBondContact O-N 3.04Å; F384-L387 PolarHBondContact O-N 3.33Å; F384-F388 PolarHBondContact O-N 2.73Å
385W98.1Very high96.6Very high121 Ų12169.7 Ų69.746%0.45833%0.331SS..Hα-helixtrans-65.8-38178.8-75.7115.1000112.5I381 L382 F388 F389 L518I381-W385 PolarHBondContact O-N 3.49Å; I381-W385 VanDerWaalsContact O-N 3.08Å; L382-W385 PolarHBondContact O-N 3.45Å; W385-F388 HydrophobicContact CE3-CB 4.49Å; W385-F388 HydrophobicContact CE3-CD1 4.1Å; W385-F388 HydrophobicContact CE3-CG 4.47Å; W385-F388 HydrophobicContact CZ3-CD1 4.12Å; W385-F388 HydrophobicContact CZ3-CE1 4.42Å; W385-F388 PolarHBondContact O-N 3.32Å; W385-F389 HydrophobicContact CE3-CD2 4.31Å; W385-F389 AromaticContact CE3-CE2 3.8Å; W385-F389 HydrophobicContact CE3-CE2 3.8Å; W385-F389 HydrophobicContact CZ3-CE2 4.26Å; W385-F389 WeakPolarHBondContact O-CD2 3.26Å; W385-F389 PolarHBondContact O-N 3.42Å; W385-L518 HydrophobicContact CB-CD1 4.17Å; W385-L518 HydrophobicContact CB-CD2 4.46Å
386F98.3Very high96.8Very high4 Ų466 Ų662%0.01832%0.315CS..Hα-helixtrans-59.9-47.6173.4179.2-90.6000111Y368 L369 L382 H383 F384 F388 F389 I390 L518 F519Y368-F386 VanDerWaalsContact CB-CZ 3.46Å; Y368-F386 HydrophobicContact CD1-CB 4.29Å; Y368-F386 AromaticContact CD1-CD1 3.11Å; Y368-F386 HydrophobicContact CD1-CD1 3.11Å; Y368-F386 HydrophobicContact CD1-CD2 4.05Å; Y368-F386 AromaticContact CD1-CE1 3.25Å; Y368-F386 HydrophobicContact CD1-CE1 3.25Å; Y368-F386 HydrophobicContact CD1-CE2 4.17Å; Y368-F386 AromaticContact CD1-CG 3.54Å; Y368-F386 HydrophobicContact CD1-CG 3.54Å; Y368-F386 AromaticContact CD1-CZ 3.8Å; Y368-F386 HydrophobicContact CD1-CZ 3.8Å; Y368-F386 HydrophobicContact CD2-CD1 4.36Å; Y368-F386 AromaticContact CD2-CD2 3.83Å; Y368-F386 HydrophobicContact CD2-CD2 3.83Å; Y368-F386 HydrophobicContact CD2-CE1 4.29Å; Y368-F386 AromaticContact CD2-CE2 3.76Å; Y368-F386 HydrophobicContact CD2-CE2 3.76Å; Y368-F386 HydrophobicContact CD2-CG 4.13Å; Y368-F386 AromaticContact CD2-CZ 4Å; Y368-F386 HydrophobicContact CD2-CZ 4Å; Y368-F386 HydrophobicContact CE1-CB 3.53Å; Y368-F386 AromaticContact CE1-CD1 3.25Å; Y368-F386 HydrophobicContact CE1-CD1 3.25Å; Y368-F386 AromaticContact CE1-CD2 3.98Å; Y368-F386 HydrophobicContact CE1-CD2 3.98Å; Y368-F386 AromaticContact CE1-CE1 3.91Å; Y368-F386 HydrophobicContact CE1-CE1 3.91Å; Y368-F386 AromaticContact CE1-CG 3.28Å; Y368-F386 HydrophobicContact CE1-CG 3.28Å; Y368-F386 HydrophobicContact CE2-CB 4.32Å; Y368-F386 HydrophobicContact CE2-CD1 4.47Å; Y368-F386 AromaticContact CE2-CD2 3.74Å; Y368-F386 HydrophobicContact CE2-CD2 3.74Å; Y368-F386 HydrophobicContact CE2-CE2 4.17Å; Y368-F386 AromaticContact CE2-CG 3.91Å; Y368-F386 HydrophobicContact CE2-CG 3.91Å; Y368-F386 AromaticContact CG-CD1 3.71Å; Y368-F386 HydrophobicContact CG-CD1 3.71Å; Y368-F386 AromaticContact CG-CD2 3.96Å; Y368-F386 HydrophobicContact CG-CD2 3.96Å; Y368-F386 AromaticContact CG-CE1 3.46Å; Y368-F386 HydrophobicContact CG-CE1 3.46Å; Y368-F386 VanDerWaalsContact CG-CE1 3.46Å; Y368-F386 AromaticContact CG-CE2 3.74Å; Y368-F386 HydrophobicContact CG-CE2 3.74Å; Y368-F386 AromaticContact CG-CG 3.95Å; Y368-F386 HydrophobicContact CG-CG 3.95Å; Y368-F386 AromaticContact CG-CZ 3.48Å; Y368-F386 HydrophobicContact CG-CZ 3.48Å; Y368-F386 VanDerWaalsContact CG-CZ 3.48Å; Y368-F386 AromaticContact CZ-CD1 3.95Å; Y368-F386 AromaticContact CZ-CD2 3.81Å; Y368-F386 AromaticContact CZ-CG 3.47Å; Y368-F386 VanDerWaalsContact CZ-CG 3.47Å; Y368-F386 WeakPolarHBondContact OH-CB 3.41Å; L369-F386 HydrophobicContact CD2-CE1 4.4Å; L382-F386 WeakPolarHBondContact O-CB 3.17Å; L382-F386 PolarHBondContact O-N 2.88Å; H383-F386 PolarHBondContact O-N 3.11Å; F384-F386 PolarHBondContact O-N 3.04Å; F386-F388 VanDerWaalsContact C-N 3.33Å; F386-F388 PolarHBondContact O-N 3.04Å; F386-F389 PolarHBondContact O-N 3.08Å; F386-I390 HydrophobicContact CD1-CG2 4.25Å; F386-I390 HydrophobicContact CE1-CB 4.19Å; F386-I390 HydrophobicContact CE1-CG1 4.4Å; F386-I390 HydrophobicContact CE1-CG2 4.07Å; F386-I390 HydrophobicContact CZ-CB 4.38Å; F386-I390 HydrophobicContact CZ-CG1 4.37Å; F386-I390 WeakPolarHBondContact O-CB 3.4Å; F386-I390 VanDerWaalsContact O-CG2 3.24Å; F386-I390 WeakPolarHBondContact O-CG2 3.16Å; F386-I390 PolarHBondContact O-N 3.06Å; F386-L518 HydrophobicContact CB-CB 4.37Å; F386-L518 HydrophobicContact CD2-CB 3.98Å; F386-F519 HydrophobicContact CE2-CB 4.12Å; F386-F519 HydrophobicContact CE2-CD2 4.5Å
387L97.6Very high97Very high89 Ų8966.7 Ų66.747%0.46632%0.317SS..Hα-helixtrans-62.1-39.6178.5-173.862.5000112H383 F384 I390 T391H383-L387 WeakPolarHBondContact O-CB 3.45Å; H383-L387 PolarHBondContact O-N 3.46Å; F384-L387 PolarHBondContact O-N 3.33Å; L387-I390 HydrophobicContact CD1-CG2 4.29Å; L387-I390 WeakPolarHBondContact O-CG2 3.26Å; L387-T391 HydrophobicContact CD1-CG2 4.24Å; L387-T391 WeakPolarHBondContact O-CB 3.39Å; L387-T391 WeakPolarHBondContact O-CG2 3.3Å; L387-T391 PolarHBondContact O-N 3.1Å; L387-T391 VanDerWaalsContact O-N 3.09Å; L387-T391 PolarHBondContact O-OG1 3.33Å
388F98.1Very high97.1Very high82 Ų8266.8 Ų66.836%0.3631%0.312SS..Hα-helixtrans-61.8-50.9174.7177-96000112.1F384 W385 F386 T391 M392F384-F388 PolarHBondContact O-N 2.73Å; W385-F388 HydrophobicContact CE3-CB 4.49Å; W385-F388 HydrophobicContact CE3-CD1 4.1Å; W385-F388 HydrophobicContact CE3-CG 4.47Å; W385-F388 HydrophobicContact CZ3-CD1 4.12Å; W385-F388 HydrophobicContact CZ3-CE1 4.42Å; W385-F388 PolarHBondContact O-N 3.32Å; F386-F388 VanDerWaalsContact C-N 3.33Å; F386-F388 PolarHBondContact O-N 3.04Å; F388-T391 PolarHBondContact O-OG1 3.35Å; F388-M392 HydrophobicContact CE1-CG 4.29Å; F388-M392 HydrophobicContact CE2-CE 4.07Å; F388-M392 HydrophobicContact CZ-CE 4.32Å; F388-M392 HydrophobicContact CZ-CG 4.26Å; F388-M392 VanDerWaalsContact O-CG 3.32Å; F388-M392 WeakPolarHBondContact O-CG 3.22Å; F388-M392 PolarHBondContact O-N 3.28Å; F388-M392 VanDerWaalsContact O-N 3.09Å
389F98.3Very high97.2Very high47 Ų4762.9 Ų62.921%0.20629%0.291CS..Hα-helixtrans-73.9-31.2-177.7-79.9-75.6000113.4W385 F386 M392 L393 V514 L518W385-F389 HydrophobicContact CE3-CD2 4.31Å; W385-F389 AromaticContact CE3-CE2 3.8Å; W385-F389 HydrophobicContact CE3-CE2 3.8Å; W385-F389 HydrophobicContact CZ3-CE2 4.26Å; W385-F389 WeakPolarHBondContact O-CD2 3.26Å; W385-F389 PolarHBondContact O-N 3.42Å; F386-F389 PolarHBondContact O-N 3.08Å; F389-M392 PolarHBondContact O-N 3.2Å; F389-L393 WeakPolarHBondContact O-CB 3.49Å; F389-L393 PolarHBondContact O-N 3.29Å; F389-V514 HydrophobicContact CB-CG1 4.26Å; F389-V514 HydrophobicContact CD1-CB 3.92Å; F389-V514 HydrophobicContact CD1-CG1 3.77Å; F389-V514 HydrophobicContact CD2-CB 4.49Å; F389-V514 HydrophobicContact CD2-CG1 3.49Å; F389-V514 VanDerWaalsContact CD2-CG1 3.49Å; F389-V514 HydrophobicContact CE1-CB 4.16Å; F389-V514 HydrophobicContact CE1-CG1 3.92Å; F389-V514 HydrophobicContact CE1-CG2 4.32Å; F389-V514 HydrophobicContact CE2-CG1 3.66Å; F389-V514 HydrophobicContact CG-CB 4.1Å; F389-V514 HydrophobicContact CG-CG1 3.56Å; F389-V514 HydrophobicContact CZ-CG1 3.87Å; F389-L518 HydrophobicContact CB-CD1 4.32Å; F389-L518 HydrophobicContact CD2-CD1 3.83Å; F389-L518 HydrophobicContact CG-CD1 4.42Å
390I97.4Very high97.2Very high7 Ų758.8 Ų58.84%0.03628%0.275CS..Hα-helixtrans-71.8-35176.3-162.659.5000111.9T361 T365 F386 L387 L393 W394T361-I390 HydrophobicContact CG2-CD1 4.32Å; T365-I390 HydrophobicContact CG2-CG1 4.03Å; T365-I390 WeakPolarHBondContact OG1-CD1 3.47Å; F386-I390 HydrophobicContact CD1-CG2 4.25Å; F386-I390 HydrophobicContact CE1-CB 4.19Å; F386-I390 HydrophobicContact CE1-CG1 4.4Å; F386-I390 HydrophobicContact CE1-CG2 4.07Å; F386-I390 HydrophobicContact CZ-CB 4.38Å; F386-I390 HydrophobicContact CZ-CG1 4.37Å; F386-I390 WeakPolarHBondContact O-CB 3.4Å; F386-I390 VanDerWaalsContact O-CG2 3.24Å; F386-I390 WeakPolarHBondContact O-CG2 3.16Å; F386-I390 PolarHBondContact O-N 3.06Å; L387-I390 HydrophobicContact CD1-CG2 4.29Å; L387-I390 WeakPolarHBondContact O-CG2 3.26Å; I390-L393 HydrophobicContact CD1-CB 4.38Å; I390-L393 HydrophobicContact CD1-CD1 3.89Å; I390-L393 WeakPolarHBondContact O-CB 3.15Å; I390-L393 PolarHBondContact O-N 2.94Å; I390-W394 VanDerWaalsContact O-CD1 3.25Å; I390-W394 PolarHBondContact O-N 3.16Å
391T97.8Very high97.2Very high62 Ų6255.5 Ų55.538%0.3826%0.263SS..Hα-helixtrans-67.6-40.7172.851.40000111.3L387 F388 L393 W394 T395L387-T391 HydrophobicContact CD1-CG2 4.24Å; L387-T391 WeakPolarHBondContact O-CB 3.39Å; L387-T391 WeakPolarHBondContact O-CG2 3.3Å; L387-T391 PolarHBondContact O-N 3.1Å; L387-T391 VanDerWaalsContact O-N 3.09Å; L387-T391 PolarHBondContact O-OG1 3.33Å; F388-T391 PolarHBondContact O-OG1 3.35Å; T391-L393 VanDerWaalsContact C-N 3.34Å; T391-L393 PolarHBondContact O-N 2.99Å; T391-W394 PolarHBondContact O-N 3.02Å; T391-T395 VanDerWaalsContact O-CB 3.3Å; T391-T395 WeakPolarHBondContact O-CB 3.45Å; T391-T395 PolarHBondContact O-N 3.2Å; T391-T395 PolarHBondContact O-OG1 3.06Å
392M98.2Very high97.1Very high75 Ų7555.3 Ų55.337%0.36927%0.267SS..Hα-helixtrans-61.4-40.7171.4-71.5-64.4149.500112.3F388 F389 T396F388-M392 HydrophobicContact CE1-CG 4.29Å; F388-M392 HydrophobicContact CE2-CE 4.07Å; F388-M392 HydrophobicContact CZ-CE 4.32Å; F388-M392 HydrophobicContact CZ-CG 4.26Å; F388-M392 VanDerWaalsContact O-CG 3.32Å; F388-M392 WeakPolarHBondContact O-CG 3.22Å; F388-M392 PolarHBondContact O-N 3.28Å; F388-M392 VanDerWaalsContact O-N 3.09Å; F389-M392 PolarHBondContact O-N 3.2Å; M392-T396 WeakPolarHBondContact O-CB 3.29Å; M392-T396 WeakPolarHBondContact O-CG2 3.41Å; M392-T396 PolarHBondContact O-N 3.47Å; M392-T396 PolarHBondContact O-OG1 2.91Å
393L97.6Very high96.9Very high2 Ų257.8 Ų57.81%0.0128%0.277CS..Hα-helixtrans-58.1-57.6175.1-174.3169.5000110.9T361 F389 I390 T391 T395 T396 F397 Y508 S511 T512 S515T361-L393 HydrophobicContact CG2-CD1 3.95Å; T361-L393 HydrophobicContact CG2-CD2 3.73Å; F389-L393 WeakPolarHBondContact O-CB 3.49Å; F389-L393 PolarHBondContact O-N 3.29Å; I390-L393 HydrophobicContact CD1-CB 4.38Å; I390-L393 HydrophobicContact CD1-CD1 3.89Å; I390-L393 WeakPolarHBondContact O-CB 3.15Å; I390-L393 PolarHBondContact O-N 2.94Å; T391-L393 VanDerWaalsContact C-N 3.34Å; T391-L393 PolarHBondContact O-N 2.99Å; L393-T395 VanDerWaalsContact C-N 3.31Å; L393-T395 PolarHBondContact O-N 3.3Å; L393-T396 PolarHBondContact O-N 2.87Å; L393-T396 PolarHBondContact O-OG1 2.89Å; L393-T396 VanDerWaalsContact O-OG1 3.13Å; L393-F397 HydrophobicContact CD2-CB 4.4Å; L393-F397 WeakPolarHBondContact O-CB 3.35Å; L393-F397 PolarHBondContact O-N 2.84Å; L393-Y508 HydrophobicContact CD2-CD2 4.47Å; L393-Y508 HydrophobicContact CD2-CE2 4.13Å; L393-Y508 HydrophobicContact CG-CD2 4.44Å; L393-Y508 HydrophobicContact CG-CE2 4.36Å; L393-S511 WeakPolarHBondContact CA-OG 3.31Å; L393-T512 HydrophobicContact CD1-CG2 4.14Å; L393-S515 WeakPolarHBondContact CD1-OG 3.33Å
394W97.1Very high96.8Very high71 Ų7159.3 Ų59.327%0.26929%0.285SS..Hα-helixtrans-63-38.5-177.4-77.6109.9000112.3T361 L362 I390 T391 F397 I398T361-W394 HydrophobicContact CG2-CH2 4.37Å; T361-W394 HydrophobicContact CG2-CZ2 3.72Å; L362-W394 HydrophobicContact CB-CZ2 4.33Å; L362-W394 HydrophobicContact CD1-CZ2 4.47Å; I390-W394 VanDerWaalsContact O-CD1 3.25Å; I390-W394 PolarHBondContact O-N 3.16Å; T391-W394 PolarHBondContact O-N 3.02Å; W394-F397 HydrophobicContact CE3-CD1 4.05Å; W394-F397 HydrophobicContact CZ3-CD1 4.12Å; W394-F397 HydrophobicContact CZ3-CE1 4.25Å; W394-I398 WeakPolarHBondContact O-CB 3.48Å; W394-I398 WeakPolarHBondContact O-CD1 3.4Å; W394-I398 VanDerWaalsContact O-CG1 3.23Å; W394-I398 WeakPolarHBondContact O-CG1 3.46Å; W394-I398 PolarHBondContact O-N 3.28Å
395T97.5Very high96.7Very high75 Ų7553.7 Ų53.746%0.4626%0.261SS..Hα-helixtrans-61.7-51176.5-56.80000110.9T391 L393 I398 L399T391-T395 VanDerWaalsContact O-CB 3.3Å; T391-T395 WeakPolarHBondContact O-CB 3.45Å; T391-T395 PolarHBondContact O-N 3.2Å; T391-T395 PolarHBondContact O-OG1 3.06Å; L393-T395 VanDerWaalsContact C-N 3.31Å; L393-T395 PolarHBondContact O-N 3.3Å; T395-I398 PolarHBondContact O-N 3.41Å; T395-L399 HydrophobicContact CG2-CD1 4.18Å; T395-L399 VanDerWaalsContact O-CG 3.29Å; T395-L399 WeakPolarHBondContact O-CG 3.15Å; T395-L399 PolarHBondContact O-N 2.9Å
396T97Very high96.4Very high9 Ų948 Ų486%0.05524%0.239CC..Hα-helixtrans-71.1-32.9-179.253.80000112.9M392 L393 L399 C400 I507 Y508M392-T396 WeakPolarHBondContact O-CB 3.29Å; M392-T396 WeakPolarHBondContact O-CG2 3.41Å; M392-T396 PolarHBondContact O-N 3.47Å; M392-T396 PolarHBondContact O-OG1 2.91Å; L393-T396 PolarHBondContact O-N 2.87Å; L393-T396 PolarHBondContact O-OG1 2.89Å; L393-T396 VanDerWaalsContact O-OG1 3.13Å; T396-L399 PolarHBondContact O-N 3.21Å; T396-C400 WeakPolarHBondContact O-CB 3.35Å; T396-C400 PolarHBondContact O-N 3.01Å; T396-C400 PolarHBondContact O-SG 3.49Å; T396-I507 HydrophobicContact CG2-CB 4.04Å; T396-I507 HydrophobicContact CG2-CG2 3.73Å; T396-Y508 WeakPolarHBondContact OG1-CA 3.42Å
397F96.4Very high96.2Very high15 Ų1549.3 Ų49.37%0.06624%0.244CC..Hα-helixtrans-59.2-50.1170.7172.8-97.7000111.4F354 T358 L393 W394 L399 C400 Y401 I493 Y508F354-F397 HydrophobicContact CD2-CZ 4.34Å; F354-F397 HydrophobicContact CE2-CE1 4.49Å; F354-F397 AromaticContact CE2-CE2 3.96Å; F354-F397 HydrophobicContact CE2-CE2 3.96Å; F354-F397 AromaticContact CE2-CZ 3.43Å; F354-F397 HydrophobicContact CE2-CZ 3.43Å; F354-F397 VanDerWaalsContact CE2-CZ 3.43Å; F354-F397 AromaticContact CZ-CZ 3.82Å; F354-F397 HydrophobicContact CZ-CZ 3.82Å; T358-F397 HydrophobicContact CG2-CE1 3.92Å; T358-F397 HydrophobicContact CG2-CE2 3.96Å; T358-F397 HydrophobicContact CG2-CZ 3.28Å; L393-F397 HydrophobicContact CD2-CB 4.4Å; L393-F397 WeakPolarHBondContact O-CB 3.35Å; L393-F397 PolarHBondContact O-N 2.84Å; W394-F397 HydrophobicContact CE3-CD1 4.05Å; W394-F397 HydrophobicContact CZ3-CD1 4.12Å; W394-F397 HydrophobicContact CZ3-CE1 4.25Å; F397-L399 VanDerWaalsContact C-N 3.32Å; F397-L399 PolarHBondContact O-N 3.14Å; F397-C400 PolarHBondContact O-N 3.34Å; F397-Y401 WeakPolarHBondContact O-CB 3.43Å; F397-Y401 PolarHBondContact O-N 3.37Å; F397-I493 HydrophobicContact CD2-CG2 4.17Å; F397-I493 HydrophobicContact CE2-CG2 4.34Å; F397-Y508 HydrophobicContact CB-CD2 3.91Å; F397-Y508 HydrophobicContact CB-CE2 3.96Å; F397-Y508 HydrophobicContact CD2-CD2 4.49Å; F397-Y508 AromaticContact CD2-CE2 3.87Å; F397-Y508 HydrophobicContact CD2-CE2 3.87Å; F397-Y508 HydrophobicContact CG-CE2 4.38Å
398I96.4Very high95.7Very high89 Ų8945.1 Ų45.146%0.45622%0.222SC..Hα-helixtrans-60.8-43.7177.6-69.3166.1000110.3W394 T395 C400 Y401 T402W394-I398 WeakPolarHBondContact O-CB 3.48Å; W394-I398 WeakPolarHBondContact O-CD1 3.4Å; W394-I398 VanDerWaalsContact O-CG1 3.23Å; W394-I398 WeakPolarHBondContact O-CG1 3.46Å; W394-I398 PolarHBondContact O-N 3.28Å; T395-I398 PolarHBondContact O-N 3.41Å; I398-C400 PolarHBondContact O-N 3.29Å; I398-Y401 PolarHBondContact O-N 2.61Å; I398-T402 HydrophobicContact CG2-CG2 4.17Å; I398-T402 WeakPolarHBondContact O-CB 3.47Å; I398-T402 WeakPolarHBondContact O-CG2 3.44Å; I398-T402 PolarHBondContact O-N 3.43Å; I398-T402 PolarHBondContact O-OG1 2.96Å
399L96.1Very high94.6Very high57 Ų5743.5 Ų43.530%0.29822%0.218SC..Hα-helixtrans-62.7-41.1176.4-69.2170.8000111.8T395 T396 F397 K403 Y504T395-L399 HydrophobicContact CG2-CD1 4.18Å; T395-L399 VanDerWaalsContact O-CG 3.29Å; T395-L399 WeakPolarHBondContact O-CG 3.15Å; T395-L399 PolarHBondContact O-N 2.9Å; T396-L399 PolarHBondContact O-N 3.21Å; F397-L399 VanDerWaalsContact C-N 3.32Å; F397-L399 PolarHBondContact O-N 3.14Å; L399-K403 WeakPolarHBondContact O-CA 3.5Å; L399-K403 WeakPolarHBondContact O-CB 3.36Å; L399-K403 PolarHBondContact O-N 2.9Å; L399-Y504 HydrophobicContact CB-CD1 4.35Å; L399-Y504 HydrophobicContact CB-CD2 4.25Å; L399-Y504 HydrophobicContact CB-CG 4.05Å; L399-Y504 HydrophobicContact CD1-CD1 3.74Å; L399-Y504 HydrophobicContact CD1-CE1 3.8Å; L399-Y504 HydrophobicContact CD1-CG 4.29Å
400C96.2Very high93.2Very high0 Ų045.4 Ų45.40%023%0.23CC..Hα-helixtrans-64.9-43176.6-70.60000112.3T396 F397 I398 I493 N495 N501 F505T396-C400 WeakPolarHBondContact O-CB 3.35Å; T396-C400 PolarHBondContact O-N 3.01Å; T396-C400 PolarHBondContact O-SG 3.49Å; F397-C400 PolarHBondContact O-N 3.34Å; I398-C400 PolarHBondContact O-N 3.29Å; C400-I493 HydrophobicContact CB-CB 4.25Å; C400-I493 HydrophobicContact CB-CD1 3.76Å; C400-I493 HydrophobicContact CB-CG2 4.06Å; C400-N495 PolarHBondContact O-ND2 3.02Å; C400-N501 PolarHBondContact O-ND2 2.84Å; C400-F505 WeakPolarHBondContact SG-CA 3.31Å; C400-F505 PolarHBondContact SG-N 2.95Å
401Y94.4Very high91.7Very high108 Ų10848.2 Ų48.242%0.42424%0.244SC..Hα-helixtrans-69.7-42.9-179.1169.5-111.6000112.6F354 F397 I398 I493 Y494 N495F354-Y401 AromaticContact CE2-CD2 3.97Å; F354-Y401 HydrophobicContact CE2-CD2 3.97Å; F354-Y401 HydrophobicContact CE2-CE2 4.3Å; F354-Y401 HydrophobicContact CZ-CD2 4.09Å; F354-Y401 HydrophobicContact CZ-CE2 4.05Å; F397-Y401 WeakPolarHBondContact O-CB 3.43Å; F397-Y401 PolarHBondContact O-N 3.37Å; I398-Y401 PolarHBondContact O-N 2.61Å; Y401-I493 WeakPolarHBondContact CD2-O 3.48Å; Y401-Y494 HydrophobicContact CE2-CD1 4.35Å; Y401-N495 PolarHBondContact O-ND2 3.3Å
402T94.6Very high90.1Very high89 Ų8947.6 Ų47.655%0.54624%0.238SC..Hα-helixtrans-94.1-30.5-171.960.20000113.9I398 N404I398-T402 HydrophobicContact CG2-CG2 4.17Å; I398-T402 WeakPolarHBondContact O-CB 3.47Å; I398-T402 WeakPolarHBondContact O-CG2 3.44Å; I398-T402 PolarHBondContact O-N 3.43Å; I398-T402 PolarHBondContact O-OG1 2.96Å; T402-N404 PolarHBondContact O-N 3.01Å
403K93.8Very high88.1Confident72 Ų7251.8 Ų51.831%0.31325%0.254SS..SBendtrans-71.3136.3-175.1-164.9175.4-172.3-173.40110.1L399 N495 N500 N501 Y504L399-K403 WeakPolarHBondContact O-CA 3.5Å; L399-K403 WeakPolarHBondContact O-CB 3.36Å; L399-K403 PolarHBondContact O-N 2.9Å; K403-N495 PolarHBondContact O-ND2 3.41Å; K403-N500 WeakPolarHBondContact CD-O 3.4Å; K403-N500 WeakPolarHBondContact CE-O 3.41Å; K403-N500 PolarHBondContact NZ-O 3.14Å; K403-N501 HydrophobicContact CB-CB 4.45Å; K403-Y504 HydrophobicContact CD-CD2 4.09Å; K403-Y504 HydrophobicContact CD-CE2 3.49Å; K403-Y504 VanDerWaalsContact CD-CE2 3.49Å; K403-Y504 VanDerWaalsContact NZ-CE2 3.29Å; K403-Y504 PolarHBondContact NZ-OH 3.4Å
404N94.5Very high86.1Confident54 Ų5460 Ų6029%0.28929%0.29SS..  trans-58.6123.6171.5-174.1-40.6000109.5T402 G406 Y407 D410 N500T402-N404 PolarHBondContact O-N 3.01Å; N404-G406 PolarHBondContact O-N 2.67Å; N404-G406 VanDerWaalsContact O-N 3.16Å; N404-G406 WeakPolarHBondContact OD1-CA 3.39Å; N404-G406 PolarHBondContact OD1-N 3.14Å; N404-Y407 WeakPolarHBondContact ND2-CD2 2.86Å; N404-Y407 WeakPolarHBondContact OD1-CD2 3.33Å; N404-Y407 PolarHBondContact OD1-N 3.31Å; N404-D410 PolarHBondContact ND2-OD2 3.04Å; N404-N500 WeakPolarHBondContact O-CB 3.19Å
405P95.1Very high83.9Confident0 Ų065.2 Ų65.20%032%0.317CS..  trans-69.1-10.2-176.929.8-37.2000113.7Y407 V483 C496 G498 M499 N500P405-Y407 HydrophobicContact CG-CD1 4.1Å; P405-Y407 HydrophobicContact CG-CD2 4.35Å; P405-Y407 HydrophobicContact CG-CE1 3.71Å; P405-Y407 HydrophobicContact CG-CE2 3.97Å; P405-Y407 HydrophobicContact CG-CG 4.38Å; P405-V483 HydrophobicContact CB-CG1 4.05Å; P405-V483 HydrophobicContact CG-CG1 4.28Å; P405-V483 HydrophobicContact CG-CG2 4.38Å; P405-C496 HydrophobicContact CB-CB 3.89Å; P405-C496 WeakPolarHBondContact CB-O 3.36Å; P405-C496 HydrophobicContact CG-CB 3.89Å; P405-G498 CarbonylContact O-C 3.55Å; P405-G498 WeakPolarHBondContact O-CA 3.49Å; P405-M499 PolarHBondContact O-N 3.11Å; P405-N500 PolarHBondContact O-N 3.44Å; P405-N500 VanDerWaalsContact O-N 3.1Å
406G92.9Very high81.9Confident0 Ų064.5 Ų64.50%032%0.315CS..  trans111.147.9-172.200000111.2N404 A484N404-G406 PolarHBondContact O-N 2.67Å; N404-G406 VanDerWaalsContact O-N 3.16Å; N404-G406 WeakPolarHBondContact OD1-CA 3.39Å; N404-G406 PolarHBondContact OD1-N 3.14Å; G406-A484 PolarHBondContact O-N 3.4Å
407Y92.9Very high80.4Confident32 Ų3265.3 Ų65.313%0.12532%0.318CS..BIsolated β-bridgetrans-60.4138.6173.1-64.1-53.8000110.7N404 P405 D409 C479 R481 C482 V483 R663N404-Y407 WeakPolarHBondContact ND2-CD2 2.86Å; N404-Y407 WeakPolarHBondContact OD1-CD2 3.33Å; N404-Y407 PolarHBondContact OD1-N 3.31Å; P405-Y407 HydrophobicContact CG-CD1 4.1Å; P405-Y407 HydrophobicContact CG-CD2 4.35Å; P405-Y407 HydrophobicContact CG-CE1 3.71Å; P405-Y407 HydrophobicContact CG-CE2 3.97Å; P405-Y407 HydrophobicContact CG-CG 4.38Å; Y407-D409 VanDerWaalsContact CB-OD1 3.29Å; Y407-D409 WeakPolarHBondContact CB-OD1 3.19Å; Y407-C479 HydrophobicContact CE1-CB 4.05Å; Y407-C479 PolarHBondContact OH-SG 3.17Å; Y407-R481 HydrophobicContact CD1-CB 3.59Å; Y407-R481 HydrophobicContact CD1-CG 4.37Å; Y407-R481 HydrophobicContact CE1-CB 3.81Å; Y407-R481 HydrophobicContact CG-CB 4.41Å; Y407-C482 WeakPolarHBondContact CA-O 3.48Å; Y407-V483 HydrophobicContact CD1-CG2 3.73Å; Y407-V483 HydrophobicContact CE1-CG2 3.73Å; Y407-R663 WeakPolarHBondContact O-CD 3.22Å
408V87.4Confident79Confident1 Ų169.3 Ų69.31%0.00634%0.337CS..SBendtrans-84.6-30-173.8-174.70000111.7D410 I411 I412 I467 P470 C482 A484V408-D410 PolarHBondContact O-N 3.43Å; V408-I411 PolarHBondContact O-N 3.07Å; V408-I412 HydrophobicContact CG1-CD1 4.13Å; V408-I467 HydrophobicContact CB-CD1 3.7Å; V408-I467 HydrophobicContact CG1-CD1 3.55Å; V408-P470 HydrophobicContact CG1-CG 3.76Å; V408-P470 HydrophobicContact CG2-CG 4.22Å; V408-C482 HydrophobicContact CB-CB 4.18Å; V408-C482 HydrophobicContact CG2-CB 4.02Å; V408-C482 PolarHBondContact N-O 3.3Å; V408-A484 HydrophobicContact CG2-CB 4.17Å
409D75.1Confident77.6Confident49 Ų4971.2 Ų71.226%0.26234%0.344SS..THydrogen-bonded Turntrans-65-22.5-179.856.7-37.6000113.5Y407 I411 I412 R481Y407-D409 VanDerWaalsContact CB-OD1 3.29Å; Y407-D409 WeakPolarHBondContact CB-OD1 3.19Å; D409-I411 PolarHBondContact O-N 3.35Å; D409-I412 PolarHBondContact O-N 3.21Å; D409-R481 IonicContact OD2-CZ 3.88Å; D409-R481 IonicContact OD2-NE 3.02Å; D409-R481 IonicContact OD2-NH1 3.85Å; D409-R481 PolarHBondContact OD2-NH1 3.02Å
410D68.8Low76.3Confident86 Ų8670.9 Ų70.946%0.4634%0.344SS..THydrogen-bonded Turntrans-64.2-21176.7-63.3-33.7000113.8N404 V408N404-D410 PolarHBondContact ND2-OD2 3.04Å; V408-D410 PolarHBondContact O-N 3.43Å
411I66.3Low75.2Confident67 Ų6771.1 Ų71.134%0.34435%0.345SS..THydrogen-bonded Turntrans-91.1-35.2176.9-59.5-174.4000111V408 D409 K413 R663 Q664V408-I411 PolarHBondContact O-N 3.07Å; D409-I411 PolarHBondContact O-N 3.35Å; I411-K413 PolarHBondContact O-N 2.98Å; I411-R663 HydrophobicContact CD1-CB 3.49Å; I411-R663 VanDerWaalsContact CD1-CB 3.49Å; I411-R663 HydrophobicContact CD1-CG 4.26Å; I411-Q664 HydrophobicContact CD1-CG 4.23Å
412I64.1Low74.4Confident48 Ų4866.6 Ų66.625%0.24633%0.33CS..SBendtrans-95.397.5-168.8-56.7172.3000108.8V408 D409 K414 Q417 I467V408-I412 HydrophobicContact CG1-CD1 4.13Å; D409-I412 PolarHBondContact O-N 3.21Å; I412-K414 PolarHBondContact O-N 3.49Å; I412-Q417 HydrophobicContact CG2-CG 3.93Å; I412-I467 HydrophobicContact CB-CG2 4.45Å; I412-I467 HydrophobicContact CD1-CB 3.93Å; I412-I467 HydrophobicContact CD1-CD1 4.42Å; I412-I467 HydrophobicContact CD1-CG2 3.7Å; I412-I467 HydrophobicContact CG2-CG2 4.27Å
413K56.9Low73.6Confident164 Ų16468.6 Ų68.671%0.71333%0.333SS*.  trans-56.6127.9173.1-73.6-174.9178.3-177.30110.3I411 E415 C416I411-K413 PolarHBondContact O-N 2.98Å; K413-E415 PolarHBondContact O-N 3.35Å; K413-E415 VanDerWaalsContact O-N 3.14Å; K413-C416 PolarHBondContact O-N 3.08Å
414K54.6Low72.6Confident173 Ų17367 Ų6775%0.75233%0.328SS*.G310 helixtrans-52.5-35.7-179.7-75.4-171.6175.4-173.80113.7I412 C416 Q417I412-K414 PolarHBondContact O-N 3.49Å; K414-C416 PolarHBondContact O-N 2.89Å; K414-C416 VanDerWaalsContact O-N 3.16Å; K414-Q417 WeakPolarHBondContact O-CB 3.41Å; K414-Q417 WeakPolarHBondContact O-CG 3.44Å; K414-Q417 PolarHBondContact O-N 3Å; K414-Q417 VanDerWaalsContact O-N 3.1Å
415E51Low71.9Confident182 Ų18264.9 Ų64.985%0.8532%0.317SS*.G310 helixtrans-62.7-20.9-176.1-68.7171174.500114.1K413K413-E415 PolarHBondContact O-N 3.35Å; K413-E415 VanDerWaalsContact O-N 3.14Å
416C55.8Low71.5Confident59 Ų5966.7 Ų66.740%0.39933%0.326SS..G310 helixtrans-104.32.3178.4-164.20000113K413 K414 T420K413-C416 PolarHBondContact O-N 3.08Å; K414-C416 PolarHBondContact O-N 2.89Å; K414-C416 VanDerWaalsContact O-N 3.16Å; C416-T420 WeakPolarHBondContact O-CB 3.34Å; C416-T420 PolarHBondContact O-N 2.81Å; C416-T420 PolarHBondContact O-OG1 2.88Å; C416-T420 PolarHBondContact SG-OG1 2.91Å
417Q66Low71Confident27 Ų2772.7 Ų72.713%0.12635%0.354CS..Hα-helixtrans-66.4-45-169.7-74.9178.1-17.500113.2I412 K414 I421 F466I412-Q417 HydrophobicContact CG2-CG 3.93Å; K414-Q417 WeakPolarHBondContact O-CB 3.41Å; K414-Q417 WeakPolarHBondContact O-CG 3.44Å; K414-Q417 PolarHBondContact O-N 3Å; K414-Q417 VanDerWaalsContact O-N 3.1Å; Q417-I421 VanDerWaalsContact O-CB 3.25Å; Q417-I421 WeakPolarHBondContact O-CB 3.39Å; Q417-I421 WeakPolarHBondContact O-CD1 3.25Å; Q417-I421 WeakPolarHBondContact O-CG1 3.22Å; Q417-I421 PolarHBondContact O-N 3.06Å; Q417-F466 HydrophobicContact CB-CD1 4.12Å; Q417-F466 HydrophobicContact CB-CE1 4.45Å
418Q66.6Low70.2Confident99 Ų9973.2 Ų73.246%0.46336%0.361SS..Hα-helixtrans-64-50.8-178.3-70.7-179.8-17.200111.6Y186 I421 A422 F466Y186-Q418 VanDerWaalsContact CD1-NE2 3.25Å; Y186-Q418 HydrophobicContact CE1-CG 3.86Å; Q418-I421 PolarHBondContact O-N 3.01Å; Q418-A422 PolarHBondContact O-N 3.23Å; Q418-F466 HydrophobicContact CG-CE1 4.44Å
419E67Low70.1Confident128 Ų12873.4 Ų73.460%0.59836%0.362SS*.Hα-helixtrans-62.5-44.8178.4-66.5179.6173.600111.9I421 A422 Q423E419-I421 VanDerWaalsContact C-N 3.26Å; E419-I421 PolarHBondContact O-N 3Å; E419-A422 PolarHBondContact O-N 3.02Å; E419-Q423 WeakPolarHBondContact O-CB 3.45Å; E419-Q423 VanDerWaalsContact O-CG 3.32Å; E419-Q423 WeakPolarHBondContact O-CG 3.37Å; E419-Q423 PolarHBondContact O-N 3.3Å
420T68.6Low70.6Confident50 Ų5073.2 Ų73.231%0.30736%0.362SS..Hα-helixtrans-60.7-39.3176.9-59.40000110.8C416 L424C416-T420 WeakPolarHBondContact O-CB 3.34Å; C416-T420 PolarHBondContact O-N 2.81Å; C416-T420 PolarHBondContact O-OG1 2.88Å; C416-T420 PolarHBondContact SG-OG1 2.91Å; T420-L424 HydrophobicContact CG2-CD1 3.84Å; T420-L424 HydrophobicContact CG2-CG 4.34Å; T420-L424 VanDerWaalsContact O-CB 3.3Å; T420-L424 WeakPolarHBondContact O-CB 3.46Å; T420-L424 WeakPolarHBondContact O-CG 3.28Å; T420-L424 PolarHBondContact O-N 3.15Å
421I73.4Confident71.2Confident6 Ų674.8 Ų74.83%0.03137%0.366CS..Hα-helixtrans-73.1-39.4-179.9-73.7165000111.4V147 Q417 Q418 E419 L424 L425 F461 F466V147-I421 HydrophobicContact CG1-CG2 3.97Å; Q417-I421 VanDerWaalsContact O-CB 3.25Å; Q417-I421 WeakPolarHBondContact O-CB 3.39Å; Q417-I421 WeakPolarHBondContact O-CD1 3.25Å; Q417-I421 WeakPolarHBondContact O-CG1 3.22Å; Q417-I421 PolarHBondContact O-N 3.06Å; Q418-I421 PolarHBondContact O-N 3.01Å; E419-I421 VanDerWaalsContact C-N 3.26Å; E419-I421 PolarHBondContact O-N 3Å; I421-L424 PolarHBondContact O-N 3.36Å; I421-L425 HydrophobicContact CG2-CD1 3.65Å; I421-L425 HydrophobicContact CG2-CG 4.18Å; I421-L425 VanDerWaalsContact O-CB 3.28Å; I421-L425 WeakPolarHBondContact O-CB 3.49Å; I421-L425 WeakPolarHBondContact O-CG 3.46Å; I421-L425 PolarHBondContact O-N 3.28Å; I421-F461 HydrophobicContact CD1-CE2 3.54Å; I421-F461 HydrophobicContact CD1-CZ 3.87Å; I421-F461 HydrophobicContact CG1-CE2 3.89Å; I421-F461 HydrophobicContact CG2-CE2 4.15Å; I421-F461 HydrophobicContact CG2-CZ 4.4Å; I421-F466 HydrophobicContact CB-CE1 4.28Å; I421-F466 HydrophobicContact CB-CZ 4.09Å; I421-F466 HydrophobicContact CD1-CD1 3.3Å; I421-F466 HydrophobicContact CD1-CD2 4.2Å; I421-F466 HydrophobicContact CD1-CE1 3.07Å; I421-F466 HydrophobicContact CD1-CE2 3.97Å; I421-F466 HydrophobicContact CD1-CG 3.81Å; I421-F466 HydrophobicContact CD1-CZ 3.32Å; I421-F466 WeakPolarHBondContact CD1-O 3.37Å; I421-F466 HydrophobicContact CG1-CE1 4.2Å; I421-F466 HydrophobicContact CG1-CZ 4.26Å; I421-F466 HydrophobicContact CG2-CE1 4.47Å; I421-F466 HydrophobicContact CG2-CE2 4.48Å; I421-F466 HydrophobicContact CG2-CZ 3.8Å
422A78Confident71.9Confident12 Ų1273.1 Ų73.110%0.09936%0.36CS..Hα-helixtrans-57.4-53.6172.100000110.6S151 Q418 E419 L424 L425 D426S151-A422 WeakPolarHBondContact O-CB 3.19Å; Q418-A422 PolarHBondContact O-N 3.23Å; E419-A422 PolarHBondContact O-N 3.02Å; A422-L424 PolarHBondContact O-N 2.94Å; A422-L425 PolarHBondContact O-N 3.08Å; A422-D426 WeakPolarHBondContact O-CB 3.38Å; A422-D426 VanDerWaalsContact O-CG 3.31Å; A422-D426 PolarHBondContact O-N 2.94Å
423Q77.2Confident72.8Confident132 Ų13271.1 Ų71.162%0.61735%0.35SS*.Hα-helixtrans-57.7-45.3179.3-72.2175.52.600112.5E419 D426 E427E419-Q423 WeakPolarHBondContact O-CB 3.45Å; E419-Q423 VanDerWaalsContact O-CG 3.32Å; E419-Q423 WeakPolarHBondContact O-CG 3.37Å; E419-Q423 PolarHBondContact O-N 3.3Å; Q423-D426 PolarHBondContact O-N 3.02Å; Q423-E427 WeakPolarHBondContact O-CB 3.37Å; Q423-E427 PolarHBondContact O-N 3.14Å
424L72.8Confident74.1Confident39 Ų3968.2 Ų68.220%0.20434%0.342CS..Hα-helixtrans-67.7-40.7178.9-75.4172.7000112.7T420 I421 A422 D426 V428 R468T420-L424 HydrophobicContact CG2-CD1 3.84Å; T420-L424 HydrophobicContact CG2-CG 4.34Å; T420-L424 VanDerWaalsContact O-CB 3.3Å; T420-L424 WeakPolarHBondContact O-CB 3.46Å; T420-L424 WeakPolarHBondContact O-CG 3.28Å; T420-L424 PolarHBondContact O-N 3.15Å; I421-L424 PolarHBondContact O-N 3.36Å; A422-L424 PolarHBondContact O-N 2.94Å; L424-D426 VanDerWaalsContact C-N 3.33Å; L424-V428 VanDerWaalsContact O-CG2 3.29Å; L424-V428 WeakPolarHBondContact O-CG2 3.33Å; L424-V428 PolarHBondContact O-N 3.03Å; L424-V428 VanDerWaalsContact O-N 3.11Å; L424-R468 HydrophobicContact CD1-CB 4.08Å
425L80.7Confident75.3Confident9 Ų963 Ų635%0.04732%0.321CS..Hα-helixtrans-64.9-43.3176.2-73.6172.1000110.1V147 Y148 I421 A422 V428 L429 P457 L458V147-L425 HydrophobicContact CG1-CD1 3.9Å; Y148-L425 HydrophobicContact CD2-CB 4.09Å; Y148-L425 HydrophobicContact CD2-CD1 4.19Å; Y148-L425 HydrophobicContact CE2-CB 4.43Å; I421-L425 HydrophobicContact CG2-CD1 3.65Å; I421-L425 HydrophobicContact CG2-CG 4.18Å; I421-L425 VanDerWaalsContact O-CB 3.28Å; I421-L425 WeakPolarHBondContact O-CB 3.49Å; I421-L425 WeakPolarHBondContact O-CG 3.46Å; I421-L425 PolarHBondContact O-N 3.28Å; A422-L425 PolarHBondContact O-N 3.08Å; L425-V428 PolarHBondContact O-N 3Å; L425-L429 HydrophobicContact CB-CD1 4.37Å; L425-L429 WeakPolarHBondContact O-CB 3.32Å; L425-L429 WeakPolarHBondContact O-CD1 3.3Å; L425-L429 WeakPolarHBondContact O-CG 3.34Å; L425-L429 PolarHBondContact O-N 3.36Å; L425-P457 HydrophobicContact CD2-CB 4.16Å; L425-L458 HydrophobicContact CD2-CD2 3.77Å; L425-L458 HydrophobicContact CD2-CG 4.02Å
426D85.5Confident76.6Confident38 Ų3856.5 Ų56.520%0.20330%0.295CS..Hα-helixtrans-64.3-44.3177.5-72.5-25.9000112.2H114 Y148 H152 A422 Q423 L424 V428 L429 T430H114-D426 IonicContact CE1-OD1 2.73Å; H114-D426 PolarHBondContact CE1-OD1 3Å; H114-D426 IonicContact ND1-OD1 2.8Å; H114-D426 PolarHBondContact ND1-OD1 2.92Å; H114-D426 VanDerWaalsContact ND1-OD1 3.11Å; Y148-D426 VanDerWaalsContact CE2-OD1 3.31Å; Y148-D426 WeakPolarHBondContact CE2-OD1 3.43Å; Y148-D426 PolarHBondContact OH-OD1 3.46Å; Y148-D426 VanDerWaalsContact OH-OD1 3.08Å; H152-D426 IonicContact CE1-OD1 3.71Å; H152-D426 PolarHBondContact CE1-OD1 3.17Å; H152-D426 IonicContact CE1-OD2 3.56Å; H152-D426 IonicContact NE2-OD1 3.07Å; H152-D426 PolarHBondContact NE2-OD1 3.12Å; H152-D426 IonicContact NE2-OD2 3.26Å; H152-D426 PolarHBondContact NE2-OD2 3.26Å; A422-D426 WeakPolarHBondContact O-CB 3.38Å; A422-D426 VanDerWaalsContact O-CG 3.31Å; A422-D426 PolarHBondContact O-N 2.94Å; Q423-D426 PolarHBondContact O-N 3.02Å; L424-D426 VanDerWaalsContact C-N 3.33Å; D426-V428 PolarHBondContact O-N 3.43Å; D426-L429 PolarHBondContact O-N 2.95Å; D426-T430 VanDerWaalsContact O-CB 3.28Å; D426-T430 WeakPolarHBondContact O-CB 3.34Å; D426-T430 WeakPolarHBondContact O-CG2 2.99Å; D426-T430 PolarHBondContact O-N 3.06Å; D426-T430 PolarHBondContact O-OG1 3.2Å
427E82.6Confident77.8Confident126 Ų12655.4 Ų55.459%0.58929%0.285SS*.Hα-helixtrans-59.9-45.8177.2-174.4-172174.600111.6Q423 T430 H431Q423-E427 WeakPolarHBondContact O-CB 3.37Å; Q423-E427 PolarHBondContact O-N 3.14Å; E427-T430 WeakPolarHBondContact CA-OG1 3.27Å; E427-T430 PolarHBondContact O-OG1 2.99Å; E427-H431 WeakPolarHBondContact O-CB 3.47Å; E427-H431 PolarHBondContact O-N 3.5Å; E427-H431 VanDerWaalsContact O-N 3.14Å
428V76.8Confident78.3Confident43 Ų4356.1 Ų56.126%0.26130%0.295SS..Hα-helixtrans-72.3-38.5-178.6-1800000111.3L424 L425 D426 T432 P457L424-V428 VanDerWaalsContact O-CG2 3.29Å; L424-V428 WeakPolarHBondContact O-CG2 3.33Å; L424-V428 PolarHBondContact O-N 3.03Å; L424-V428 VanDerWaalsContact O-N 3.11Å; L425-V428 PolarHBondContact O-N 3Å; D426-V428 PolarHBondContact O-N 3.43Å; V428-T432 WeakPolarHBondContact O-CB 2.99Å; V428-T432 PolarHBondContact O-N 2.8Å; V428-T432 PolarHBondContact O-OG1 2.85Å; V428-P457 HydrophobicContact CB-CB 3.82Å; V428-P457 HydrophobicContact CB-CG 4.23Å; V428-P457 HydrophobicContact CG1-CB 3.45Å; V428-P457 VanDerWaalsContact CG1-CB 3.45Å; V428-P457 HydrophobicContact CG1-CG 3.66Å; V428-P457 HydrophobicContact CG2-CB 4.44Å
429L84.6Confident78.6Confident5 Ų555.3 Ų55.33%0.02629%0.294CS..Hα-helixtrans-75-34.6-179.3-68.1168000112L110 H114 Y148 L425 D426 T432 N433 P457L110-L429 HydrophobicContact CD1-CD1 4.24Å; L110-L429 HydrophobicContact CD2-CD1 4.13Å; L110-L429 HydrophobicContact CD2-CD2 3.86Å; L110-L429 HydrophobicContact CG-CD1 4Å; L110-L429 HydrophobicContact CG-CD2 3.94Å; H114-L429 HydrophobicContact CB-CB 4.2Å; H114-L429 HydrophobicContact CB-CD1 3.82Å; H114-L429 WeakPolarHBondContact CD2-CB 3.29Å; Y148-L429 HydrophobicContact CD2-CD1 4.03Å; Y148-L429 HydrophobicContact CE2-CD1 4.02Å; L425-L429 HydrophobicContact CB-CD1 4.37Å; L425-L429 WeakPolarHBondContact O-CB 3.32Å; L425-L429 WeakPolarHBondContact O-CD1 3.3Å; L425-L429 WeakPolarHBondContact O-CG 3.34Å; L425-L429 PolarHBondContact O-N 3.36Å; D426-L429 PolarHBondContact O-N 2.95Å; L429-T432 PolarHBondContact O-N 3.36Å; L429-N433 VanDerWaalsContact O-CB 3.27Å; L429-N433 WeakPolarHBondContact O-CB 3.34Å; L429-N433 VanDerWaalsContact O-CG 3.25Å; L429-N433 PolarHBondContact O-N 3.27Å; L429-P457 HydrophobicContact CD2-CG 3.66Å; L429-P457 HydrophobicContact CG-CG 3.99Å
430T86.2Confident78.5Confident44 Ų4452.3 Ų52.327%0.2728%0.282SS..Hα-helixtrans-62.5-51.9171.347.70000110.3H114 D426 E427 T432 N433 D434H114-T430 PolarHBondContact NE2-N 2.93Å; D426-T430 VanDerWaalsContact O-CB 3.28Å; D426-T430 WeakPolarHBondContact O-CB 3.34Å; D426-T430 WeakPolarHBondContact O-CG2 2.99Å; D426-T430 PolarHBondContact O-N 3.06Å; D426-T430 PolarHBondContact O-OG1 3.2Å; E427-T430 WeakPolarHBondContact CA-OG1 3.27Å; E427-T430 PolarHBondContact O-OG1 2.99Å; T430-T432 VanDerWaalsContact C-N 3.29Å; T430-T432 PolarHBondContact O-N 2.94Å; T430-N433 PolarHBondContact O-N 2.74Å; T430-N433 VanDerWaalsContact O-N 3.1Å; T430-D434 WeakPolarHBondContact O-CB 3.31Å; T430-D434 VanDerWaalsContact O-CG 3.3Å; T430-D434 PolarHBondContact O-N 3.38Å
431H80.7Confident78.2Confident119 Ų11955.6 Ų55.655%0.55130%0.297SS*.Hα-helixtrans-59-40.2177.2-175.6-89.2000112.5E427 L435E427-H431 WeakPolarHBondContact O-CB 3.47Å; E427-H431 PolarHBondContact O-N 3.5Å; E427-H431 VanDerWaalsContact O-N 3.14Å; H431-L435 VanDerWaalsContact CE1-CD1 3.42Å; H431-L435 WeakPolarHBondContact CE1-CD1 3.18Å; H431-L435 WeakPolarHBondContact O-CB 3.06Å; H431-L435 WeakPolarHBondContact O-CG 3.27Å; H431-L435 PolarHBondContact O-N 2.93Å
432T80.2Confident77.3Confident33 Ų3360.1 Ų60.120%0.20232%0.322CS..Hα-helixtrans-63.6-46.3175.5-58.20000111.1V428 L429 T430 L435 T436V428-T432 WeakPolarHBondContact O-CB 2.99Å; V428-T432 PolarHBondContact O-N 2.8Å; V428-T432 PolarHBondContact O-OG1 2.85Å; L429-T432 PolarHBondContact O-N 3.36Å; T430-T432 VanDerWaalsContact C-N 3.29Å; T430-T432 PolarHBondContact O-N 2.94Å; T432-L435 PolarHBondContact O-N 3.29Å; T432-T436 VanDerWaalsContact O-CG2 3.22Å; T432-T436 WeakPolarHBondContact O-CG2 3.26Å; T432-T436 PolarHBondContact O-N 3.47Å
433N84.7Confident75.8Confident6 Ų667 Ų673%0.03235%0.352CS..Hα-helixtrans-65.3-43179.3-77.1-3.3000111.4L76 S111 L429 T430 L435 T436 L437L76-N433 WeakPolarHBondContact CD1-OD1 3.46Å; S111-N433 VanDerWaalsContact CB-OD1 3.27Å; S111-N433 WeakPolarHBondContact CB-OD1 3.49Å; S111-N433 PolarHBondContact O-ND2 3.45Å; S111-N433 VanDerWaalsContact O-ND2 3.15Å; L429-N433 VanDerWaalsContact O-CB 3.27Å; L429-N433 WeakPolarHBondContact O-CB 3.34Å; L429-N433 VanDerWaalsContact O-CG 3.25Å; L429-N433 PolarHBondContact O-N 3.27Å; T430-N433 PolarHBondContact O-N 2.74Å; T430-N433 VanDerWaalsContact O-N 3.1Å; N433-L435 VanDerWaalsContact C-N 3.35Å; N433-L435 PolarHBondContact O-N 3.04Å; N433-T436 WeakPolarHBondContact CA-OG1 3.48Å; N433-T436 PolarHBondContact O-N 2.95Å; N433-T436 VanDerWaalsContact O-N 3.09Å; N433-T436 PolarHBondContact O-OG1 2.76Å; N433-L437 WeakPolarHBondContact O-CB 3.44Å; N433-L437 VanDerWaalsContact O-CG 3.29Å; N433-L437 WeakPolarHBondContact O-CG 3.39Å; N433-L437 PolarHBondContact O-N 3.15Å
434D83.9Confident74.2Confident102 Ų10268 Ų6855%0.54536%0.356SS..Hα-helixtrans-60-43.7176.9-71.9-17.3000111.6T430 T436 L437 A438T430-D434 WeakPolarHBondContact O-CB 3.31Å; T430-D434 VanDerWaalsContact O-CG 3.3Å; T430-D434 PolarHBondContact O-N 3.38Å; D434-T436 PolarHBondContact O-N 2.91Å; D434-L437 PolarHBondContact O-N 3.05Å; D434-A438 VanDerWaalsContact O-CB 3.31Å; D434-A438 WeakPolarHBondContact O-CB 3.25Å; D434-A438 PolarHBondContact O-N 3.01Å
435L78.4Confident72.4Confident63 Ų6370 Ų7033%0.3337%0.374SS..Hα-helixtrans-62.2-41.5173.1-74.1177.3000112.1H431 T432 N433 L437 A438 N439H431-L435 VanDerWaalsContact CE1-CD1 3.42Å; H431-L435 WeakPolarHBondContact CE1-CD1 3.18Å; H431-L435 WeakPolarHBondContact O-CB 3.06Å; H431-L435 WeakPolarHBondContact O-CG 3.27Å; H431-L435 PolarHBondContact O-N 2.93Å; T432-L435 PolarHBondContact O-N 3.29Å; N433-L435 VanDerWaalsContact C-N 3.35Å; N433-L435 PolarHBondContact O-N 3.04Å; L435-L437 VanDerWaalsContact C-N 3.33Å; L435-A438 PolarHBondContact O-N 3.47Å; L435-N439 WeakPolarHBondContact O-CB 3.39Å; L435-N439 VanDerWaalsContact O-CG 3.29Å; L435-N439 PolarHBondContact O-N 3.49Å; L435-N439 PolarHBondContact O-ND2 3.23Å
436T79Confident70Confident47 Ų4774.3 Ų74.329%0.28841%0.405SS..Hα-helixtrans-65.7-37.3177.265.10000112L76 T432 N433 D434 N440L76-T436 WeakPolarHBondContact CD1-OG1 3.1Å; T432-T436 VanDerWaalsContact O-CG2 3.22Å; T432-T436 WeakPolarHBondContact O-CG2 3.26Å; T432-T436 PolarHBondContact O-N 3.47Å; N433-T436 WeakPolarHBondContact CA-OG1 3.48Å; N433-T436 PolarHBondContact O-N 2.95Å; N433-T436 VanDerWaalsContact O-N 3.09Å; N433-T436 PolarHBondContact O-OG1 2.76Å; D434-T436 PolarHBondContact O-N 2.91Å; T436-N440 WeakPolarHBondContact O-CB 3.43Å; T436-N440 PolarHBondContact O-N 2.84Å; T436-N440 PolarHBondContact O-ND2 3.37Å; T436-N440 VanDerWaalsContact O-ND2 3.1Å
437L80.6Confident67.7Low36 Ų3678.7 Ų78.719%0.18844%0.438CS..Hα-helixtrans-69.2-45176.5-69.8169.2000111L76 A77 N433 D434 L435 N439 N440 N441L76-L437 HydrophobicContact CB-CD2 4.46Å; A77-L437 HydrophobicContact CB-CD2 3.88Å; N433-L437 WeakPolarHBondContact O-CB 3.44Å; N433-L437 VanDerWaalsContact O-CG 3.29Å; N433-L437 WeakPolarHBondContact O-CG 3.39Å; N433-L437 PolarHBondContact O-N 3.15Å; D434-L437 PolarHBondContact O-N 3.05Å; L435-L437 VanDerWaalsContact C-N 3.33Å; L437-N439 PolarHBondContact O-N 3.32Å; L437-N440 PolarHBondContact O-N 3.31Å; L437-N441 PolarHBondContact O-N 2.67Å
438A77.5Confident65.4Low41 Ų4177.1 Ų77.134%0.33944%0.442SS..Hα-helixtrans-61.7-43.3176.300000112D434 L435 N440 N441 N442D434-A438 VanDerWaalsContact O-CB 3.31Å; D434-A438 WeakPolarHBondContact O-CB 3.25Å; D434-A438 PolarHBondContact O-N 3.01Å; L435-A438 PolarHBondContact O-N 3.47Å; A438-N440 PolarHBondContact O-N 2.91Å; A438-N441 PolarHBondContact O-N 3.04Å; A438-N442 WeakPolarHBondContact O-CB 3.28Å; A438-N442 VanDerWaalsContact O-CG 3.28Å; A438-N442 PolarHBondContact O-N 3.21Å; A438-N442 PolarHBondContact O-ND2 3.05Å
439N71.5Confident63.3Low83 Ų8379.6 Ų79.644%0.44446%0.46SS..Hα-helixtrans-64.9-38176.4-76.8-15.5000112.3L435 L437 N441 N442 Q443L435-N439 WeakPolarHBondContact O-CB 3.39Å; L435-N439 VanDerWaalsContact O-CG 3.29Å; L435-N439 PolarHBondContact O-N 3.49Å; L435-N439 PolarHBondContact O-ND2 3.23Å; L437-N439 PolarHBondContact O-N 3.32Å; N439-N441 VanDerWaalsContact C-N 3.34Å; N439-N442 PolarHBondContact O-N 2.69Å; N439-Q443 PolarHBondContact O-N 3.19Å
440N66.5Low60.8Low65 Ų6584.9 Ų84.935%0.34850%0.498SS..Hα-helixtrans-67.4-34.5175.5-74.2-28000112.2A77 T436 L437 A438 N442A77-N440 HydrophobicContact CB-CB 4.35Å; T436-N440 WeakPolarHBondContact O-CB 3.43Å; T436-N440 PolarHBondContact O-N 2.84Å; T436-N440 PolarHBondContact O-ND2 3.37Å; T436-N440 VanDerWaalsContact O-ND2 3.1Å; L437-N440 PolarHBondContact O-N 3.31Å; A438-N440 PolarHBondContact O-N 2.91Å; N440-N442 VanDerWaalsContact C-N 3.33Å
441N62.2Low58.5Low118 Ų11886.7 Ų86.763%0.63151%0.513SS*.Hα-helixtrans-69.8-30.5173.1-67.6-14.2000112.2L437 A438 N439L437-N441 PolarHBondContact O-N 2.67Å; A438-N441 PolarHBondContact O-N 3.04Å; N439-N441 VanDerWaalsContact C-N 3.34Å
442N53.1Low56.3Low102 Ų10287.7 Ų87.755%0.54552%0.521SS..THydrogen-bonded Turntrans-90.96-177.2-70-15.9000114.9A438 N439 N440 E444 S445A438-N442 WeakPolarHBondContact O-CB 3.28Å; A438-N442 VanDerWaalsContact O-CG 3.28Å; A438-N442 PolarHBondContact O-N 3.21Å; A438-N442 PolarHBondContact O-ND2 3.05Å; N439-N442 PolarHBondContact O-N 2.69Å; N440-N442 VanDerWaalsContact C-N 3.33Å; N442-E444 PolarHBondContact O-N 3.46Å; N442-S445 PolarHBondContact O-N 3.18Å; N442-S445 VanDerWaalsContact O-N 3.11Å
443Q46.8Very low54.3Low157 Ų15791.8 Ų91.873%0.73454%0.541SS*.THydrogen-bonded Turntrans-61.58.4175.6-80.6-173.3-6.500114.7N439N439-Q443 PolarHBondContact O-N 3.19Å
444E43.2Very low52.3Low151 Ų15196 Ų9671%0.70657%0.57SS**THydrogen-bonded Turntrans-88.3-1.2167.9-67.4-169165.700114.7K38 N442K38-E444 IonicContact NZ-OE1 2.69Å; K38-E444 PolarHBondContact NZ-OE1 2.9Å; N442-E444 PolarHBondContact O-N 3.46Å
445S35.3Very low50.5Low83 Ų8395.5 Ų95.558%0.5857%0.567SS**SBendtrans-142.3114.1177.151.80000115N442N442-S445 PolarHBondContact O-N 3.18Å; N442-S445 VanDerWaalsContact O-N 3.11Å
446S30.3Very low49.4Very low99 Ų9996.2 Ų96.269%0.69257%0.571SS**  trans60.3115157.152.70000118.3S448S446-S448 VanDerWaalsContact C-N 3.3Å; S446-S448 PolarHBondContact O-N 3.21Å
447S37.3Very low48.1Very low129 Ų12995.3 Ų95.390%0.90257%0.566SS**SBendtrans-54.578.9160.953.30000112.8
448S35.1Very low47Very low94 Ų9494.6 Ų94.666%0.65756%0.562SS**  trans-171.767.8166.550.60000112.5S446S446-S448 VanDerWaalsContact C-N 3.3Å; S446-S448 PolarHBondContact O-N 3.21Å
449S31.9Very low46.5Very low94 Ų9497.3 Ų97.366%0.65757%0.568SS**  trans-151.735.2160.553.60000111.8S451S449-S451 VanDerWaalsContact C-N 3.35Å; S449-S451 PolarHBondContact O-N 3.43Å
450S33.2Very low46.6Very low116 Ų11696.7 Ų96.781%0.81156%0.559SS**THydrogen-bonded Turntrans-71.685.1162.851.90000109.7
451S36.6Very low47Very low83 Ų8394.2 Ų94.258%0.5855%0.545SS*.THydrogen-bonded Turntrans170.122.715164.20000116.5S449 L453S449-S451 VanDerWaalsContact C-N 3.35Å; S449-S451 PolarHBondContact O-N 3.43Å; S451-L453 PolarHBondContact O-N 3.33Å
452I36Very low47.9Very low140 Ų14088.8 Ų88.872%0.71852%0.516SS*.  trans-77.278.6153.1-56.1177.5000104.8S454I452-S454 PolarHBondContact O-N 2.94Å
453L36.8Very low48.9Very low119 Ų11985.5 Ų85.562%0.62350%0.5SS*.  trans-41.6114.4170.1-163.686.6000105.7S451 I455S451-L453 PolarHBondContact O-N 3.33Å; L453-I455 PolarHBondContact O-N 3.39Å
454S42.2Very low50.3Low94 Ų9479.5 Ų79.566%0.65747%0.474SS*.  trans-53.795.2170.854.10000106.5I452 N456I452-S454 PolarHBondContact O-N 2.94Å; S454-N456 VanDerWaalsContact C-N 3.31Å; S454-N456 PolarHBondContact O-N 2.9Å
455I47.5Very low52Low91 Ų9173.3 Ų73.347%0.46745%0.448SS..  trans-65.1104.6176.2-65.6173.3000102.9L453 P457L453-I455 PolarHBondContact O-N 3.39Å; I455-P457 WeakPolarHBondContact O-CD 3.49Å
456N54.2Low53.8Low78 Ų7869.9 Ų69.942%0.41742%0.422SS..  trans-52.6118172.8-178.2-24.6000105.7S454 L458 Q459S454-N456 VanDerWaalsContact C-N 3.31Å; S454-N456 PolarHBondContact O-N 2.9Å; N456-L458 PolarHBondContact O-N 3.25Å; N456-L458 WeakPolarHBondContact OD1-CB 3.45Å; N456-L458 PolarHBondContact OD1-N 2.87Å; N456-L458 VanDerWaalsContact OD1-N 3.14Å; N456-Q459 WeakPolarHBondContact O-CB 3.35Å; N456-Q459 PolarHBondContact O-N 2.71Å
457P52.5Low56Low28 Ų2865.3 Ų65.318%0.18239%0.39CS..G310 helixtrans-47.9-31.5-176.4-9.60.5000112.3L425 V428 L429 I455L425-P457 HydrophobicContact CD2-CB 4.16Å; V428-P457 HydrophobicContact CB-CB 3.82Å; V428-P457 HydrophobicContact CB-CG 4.23Å; V428-P457 HydrophobicContact CG1-CB 3.45Å; V428-P457 VanDerWaalsContact CG1-CB 3.45Å; V428-P457 HydrophobicContact CG1-CG 3.66Å; V428-P457 HydrophobicContact CG2-CB 4.44Å; L429-P457 HydrophobicContact CD2-CG 3.66Å; L429-P457 HydrophobicContact CG-CG 3.99Å; I455-P457 WeakPolarHBondContact O-CD 3.49Å
458L57.8Low57.8Low21 Ų2162.1 Ų62.111%0.1136%0.358CS..G310 helixtrans-86.2-4.4-175.1-63.5154.8000114.4L110 P144 L425 N456 R460 F461L110-L458 HydrophobicContact CD2-CD1 4.07Å; P144-L458 HydrophobicContact CB-CD1 3.11Å; P144-L458 HydrophobicContact CG-CD1 3.49Å; P144-L458 VanDerWaalsContact CG-CD1 3.49Å; L425-L458 HydrophobicContact CD2-CD2 3.77Å; L425-L458 HydrophobicContact CD2-CG 4.02Å; N456-L458 PolarHBondContact O-N 3.25Å; N456-L458 WeakPolarHBondContact OD1-CB 3.45Å; N456-L458 PolarHBondContact OD1-N 2.87Å; N456-L458 VanDerWaalsContact OD1-N 3.14Å; L458-R460 PolarHBondContact O-N 3.42Å; L458-F461 HydrophobicContact CB-CB 4.08Å; L458-F461 HydrophobicContact CD2-CB 3.73Å; L458-F461 HydrophobicContact CD2-CD1 3.68Å; L458-F461 HydrophobicContact CD2-CD2 4.45Å; L458-F461 HydrophobicContact CD2-CE1 4.41Å; L458-F461 HydrophobicContact CD2-CG 3.7Å; L458-F461 HydrophobicContact CG-CB 4.45Å; L458-F461 VanDerWaalsContact O-CB 3.29Å; L458-F461 WeakPolarHBondContact O-CB 3.24Å; L458-F461 PolarHBondContact O-N 3.35Å
459Q67.3Low60.1Low99 Ų9960.3 Ų60.346%0.46334%0.338SS..G310 helixtrans-59.2-38.2173.6-173178.2700110.8N456 F461N456-Q459 WeakPolarHBondContact O-CB 3.35Å; N456-Q459 PolarHBondContact O-N 2.71Å; Q459-F461 VanDerWaalsContact C-N 3.32Å
460R72.4Confident62.7Low69 Ų6956 Ų5626%0.2631%0.308SS..G310 helixtrans-94.923.5172.2-69.6-165.6175.9140.87.9112.7L458 R468 K469 L471 E603 H666L458-R460 PolarHBondContact O-N 3.42Å; R460-R468 CarbonylContact O-C 3.59Å; R460-K469 WeakPolarHBondContact O-CB 3.3Å; R460-K469 PolarHBondContact O-N 3.46Å; R460-L471 VanDerWaalsContact NH2-CD2 3.32Å; R460-E603 IonicContact NH2-OE1 3.11Å; R460-E603 IonicContact NH2-OE2 2.84Å; R460-E603 PolarHBondContact NH2-OE2 3.11Å; R460-H666 PolarHBondContact NH1-O 3.34Å
461F75.6Confident65.2Low14 Ų1450.6 Ų50.66%0.06127%0.27CS..EExtended strand (participates in β ladder)trans-101.3141.1172.2-171.5-108.7000110.9V147 I421 L458 Q459 T463 F466 I467 K469V147-F461 HydrophobicContact CG1-CE1 4.12Å; V147-F461 HydrophobicContact CG1-CZ 4.14Å; V147-F461 HydrophobicContact CG2-CE1 4.06Å; I421-F461 HydrophobicContact CD1-CE2 3.54Å; I421-F461 HydrophobicContact CD1-CZ 3.87Å; I421-F461 HydrophobicContact CG1-CE2 3.89Å; I421-F461 HydrophobicContact CG2-CE2 4.15Å; I421-F461 HydrophobicContact CG2-CZ 4.4Å; L458-F461 HydrophobicContact CB-CB 4.08Å; L458-F461 HydrophobicContact CD2-CB 3.73Å; L458-F461 HydrophobicContact CD2-CD1 3.68Å; L458-F461 HydrophobicContact CD2-CD2 4.45Å; L458-F461 HydrophobicContact CD2-CE1 4.41Å; L458-F461 HydrophobicContact CD2-CG 3.7Å; L458-F461 HydrophobicContact CG-CB 4.45Å; L458-F461 VanDerWaalsContact O-CB 3.29Å; L458-F461 WeakPolarHBondContact O-CB 3.24Å; L458-F461 PolarHBondContact O-N 3.35Å; Q459-F461 VanDerWaalsContact C-N 3.32Å; F461-T463 HydrophobicContact CD1-CG2 3.98Å; F461-T463 HydrophobicContact CE1-CG2 4.27Å; F461-F466 HydrophobicContact CE1-CD2 4.01Å; F461-F466 HydrophobicContact CE1-CE2 4.07Å; F461-F466 HydrophobicContact CE2-CE2 4.47Å; F461-F466 AromaticContact CZ-CD2 3.44Å; F461-F466 HydrophobicContact CZ-CD2 3.44Å; F461-F466 VanDerWaalsContact CZ-CD2 3.44Å; F461-F466 AromaticContact CZ-CE2 3.44Å; F461-F466 HydrophobicContact CZ-CE2 3.44Å; F461-F466 VanDerWaalsContact CZ-CE2 3.44Å; F461-F466 HydrophobicContact CZ-CG 4.13Å; F461-F466 HydrophobicContact CZ-CZ 4.16Å; F461-I467 WeakPolarHBondContact CD2-O 3.2Å; F461-K469 VanDerWaalsContact O-CE 3.26Å; F461-K469 WeakPolarHBondContact O-CE 3.33Å; F461-K469 PolarHBondContact O-NZ 3.04Å
462C81.2Confident67.8Low3 Ų346.8 Ų46.82%0.0224%0.243CC..EExtended strand (participates in β ladder)trans-99.9109.5167.6-172.50000109.3T464 C465 F466 I467 K469 C482C462-T464 PolarHBondContact O-N 3.19Å; C462-C465 HydrophobicContact CB-CB 4.14Å; C462-C465 PolarHBondContact SG-N 2.74Å; C462-F466 VanDerWaalsContact O-CA 3.22Å; C462-F466 WeakPolarHBondContact O-CA 3.32Å; C462-F466 PolarHBondContact O-N 2.91Å; C462-I467 HydrophobicContact CB-CG1 4.16Å; C462-I467 PolarHBondContact N-O 2.89Å; C462-I467 PolarHBondContact O-N 3.02Å; C462-K469 HydrophobicContact CB-CD 4.37Å; C462-K469 HydrophobicContact CB-CG 3.94Å; C462-C482 PolarHBondContact SG-SG 3.01Å
463T73.7Confident70.4Confident34 Ų3440.5 Ų40.521%0.20921%0.212CC..THydrogen-bonded Turntrans-67.9-23.7177.652.30000113.2V143 F461V143-T463 HydrophobicContact CG1-CG2 3.54Å; F461-T463 HydrophobicContact CD1-CG2 3.98Å; F461-T463 HydrophobicContact CE1-CG2 4.27Å
464T76.6Confident73.1Confident30 Ų3038.6 Ų38.618%0.18420%0.199CC..THydrogen-bonded Turntrans-85.4-46.7178.4-48.90000112.5C462 F466 H475 D480C462-T464 PolarHBondContact O-N 3.19Å; T464-F466 VanDerWaalsContact C-N 3.34Å; T464-H475 VanDerWaalsContact CG2-CE1 3.41Å; T464-H475 WeakPolarHBondContact CG2-CE1 3.22Å; T464-D480 WeakPolarHBondContact CG2-OD1 3.19Å
465C79Confident75.4Confident22 Ų2235.7 Ų35.715%0.14917%0.174CC..THydrogen-bonded Turntrans-84.9-11.4178.9-64.30000113.3C462 I467 H475 C482C462-C465 HydrophobicContact CB-CB 4.14Å; C462-C465 PolarHBondContact SG-N 2.74Å; C465-I467 HydrophobicContact CB-CD1 4.15Å; C465-I467 HydrophobicContact CB-CG1 3.84Å; C465-H475 PolarHBondContact SG-ND1 3.29Å; C465-C482 PolarHBondContact SG-N 3.47Å
466F72.8Confident77.6Confident11 Ų1131.6 Ų31.65%0.04815%0.154CC..THydrogen-bonded Turntrans55.752.1-178.1-154.9-110.3000112.3V147 L182 Y186 Q417 Q418 I421 F461 C462 T464V147-F466 HydrophobicContact CG1-CE2 3.74Å; V147-F466 HydrophobicContact CG1-CZ 4.15Å; V147-F466 HydrophobicContact CG2-CE2 4.26Å; L182-F466 HydrophobicContact CD1-CD2 3.9Å; L182-F466 HydrophobicContact CD1-CE2 4.12Å; Y186-F466 HydrophobicContact CD2-CE2 4.48Å; Y186-F466 HydrophobicContact CE1-CE1 4.42Å; Y186-F466 HydrophobicContact CE1-CZ 4.35Å; Y186-F466 HydrophobicContact CE2-CD1 4.31Å; Y186-F466 AromaticContact CE2-CD2 3.67Å; Y186-F466 HydrophobicContact CE2-CD2 3.67Å; Y186-F466 AromaticContact CE2-CE1 3.92Å; Y186-F466 HydrophobicContact CE2-CE1 3.92Å; Y186-F466 AromaticContact CE2-CE2 3.27Å; Y186-F466 HydrophobicContact CE2-CE2 3.27Å; Y186-F466 HydrophobicContact CE2-CG 4.24Å; Y186-F466 AromaticContact CE2-CZ 3.5Å; Y186-F466 HydrophobicContact CE2-CZ 3.5Å; Y186-F466 AromaticContact CZ-CE1 3.64Å; Y186-F466 AromaticContact CZ-CE2 3.55Å; Y186-F466 AromaticContact CZ-CZ 3.25Å; Y186-F466 WeakPolarHBondContact OH-CE1 3.4Å; Y186-F466 WeakPolarHBondContact OH-CE2 3.4Å; Y186-F466 WeakPolarHBondContact OH-CZ 3.25Å; Q417-F466 HydrophobicContact CB-CD1 4.12Å; Q417-F466 HydrophobicContact CB-CE1 4.45Å; Q418-F466 HydrophobicContact CG-CE1 4.44Å; I421-F466 HydrophobicContact CB-CE1 4.28Å; I421-F466 HydrophobicContact CB-CZ 4.09Å; I421-F466 HydrophobicContact CD1-CD1 3.3Å; I421-F466 HydrophobicContact CD1-CD2 4.2Å; I421-F466 HydrophobicContact CD1-CE1 3.07Å; I421-F466 HydrophobicContact CD1-CE2 3.97Å; I421-F466 HydrophobicContact CD1-CG 3.81Å; I421-F466 HydrophobicContact CD1-CZ 3.32Å; I421-F466 WeakPolarHBondContact CD1-O 3.37Å; I421-F466 HydrophobicContact CG1-CE1 4.2Å; I421-F466 HydrophobicContact CG1-CZ 4.26Å; I421-F466 HydrophobicContact CG2-CE1 4.47Å; I421-F466 HydrophobicContact CG2-CE2 4.48Å; I421-F466 HydrophobicContact CG2-CZ 3.8Å; F461-F466 HydrophobicContact CE1-CD2 4.01Å; F461-F466 HydrophobicContact CE1-CE2 4.07Å; F461-F466 HydrophobicContact CE2-CE2 4.47Å; F461-F466 AromaticContact CZ-CD2 3.44Å; F461-F466 HydrophobicContact CZ-CD2 3.44Å; F461-F466 VanDerWaalsContact CZ-CD2 3.44Å; F461-F466 AromaticContact CZ-CE2 3.44Å; F461-F466 HydrophobicContact CZ-CE2 3.44Å; F461-F466 VanDerWaalsContact CZ-CE2 3.44Å; F461-F466 HydrophobicContact CZ-CG 4.13Å; F461-F466 HydrophobicContact CZ-CZ 4.16Å; C462-F466 VanDerWaalsContact O-CA 3.22Å; C462-F466 WeakPolarHBondContact O-CA 3.32Å; C462-F466 PolarHBondContact O-N 2.91Å; T464-F466 VanDerWaalsContact C-N 3.34Å
467I76Confident79.2Confident3 Ų332.6 Ų32.62%0.01517%0.167CC..EExtended strand (participates in β ladder)trans-142.5154.1-179.861.7171.1000111.5V408 I412 F461 C462 C465 K469 C482V408-I467 HydrophobicContact CB-CD1 3.7Å; V408-I467 HydrophobicContact CG1-CD1 3.55Å; I412-I467 HydrophobicContact CB-CG2 4.45Å; I412-I467 HydrophobicContact CD1-CB 3.93Å; I412-I467 HydrophobicContact CD1-CD1 4.42Å; I412-I467 HydrophobicContact CD1-CG2 3.7Å; I412-I467 HydrophobicContact CG2-CG2 4.27Å; F461-I467 WeakPolarHBondContact CD2-O 3.2Å; C462-I467 HydrophobicContact CB-CG1 4.16Å; C462-I467 PolarHBondContact N-O 2.89Å; C462-I467 PolarHBondContact O-N 3.02Å; C465-I467 HydrophobicContact CB-CD1 4.15Å; C465-I467 HydrophobicContact CB-CG1 3.84Å; I467-K469 PolarHBondContact O-N 3.48Å; I467-C482 HydrophobicContact CD1-CB 3.81Å
468R76.1Confident80.8Confident61 Ų6134.7 Ų34.723%0.2318%0.18CC..EExtended strand (participates in β ladder)trans-67.6119.8162.3-172.6-178.8-179.7173.8-0.5108.3L424 R460 P470 H666L424-R468 HydrophobicContact CD1-CB 4.08Å; R460-R468 CarbonylContact O-C 3.59Å; R468-P470 VanDerWaalsContact O-CD 3.26Å; R468-P470 WeakPolarHBondContact O-CD 3.44Å; R468-H666 PolarHBondContact O-CE1 2.91Å
469K83.2Confident82.3Confident56 Ų5635.1 Ų35.124%0.24318%0.184CC..PPolyproline II helixtrans-64.6122.1173.4-69.4175.1-176.1149.20109R460 F461 C462 I467 S473 H666R460-K469 WeakPolarHBondContact O-CB 3.3Å; R460-K469 PolarHBondContact O-N 3.46Å; F461-K469 VanDerWaalsContact O-CE 3.26Å; F461-K469 WeakPolarHBondContact O-CE 3.33Å; F461-K469 PolarHBondContact O-NZ 3.04Å; C462-K469 HydrophobicContact CB-CD 4.37Å; C462-K469 HydrophobicContact CB-CG 3.94Å; I467-K469 PolarHBondContact O-N 3.48Å; K469-S473 WeakPolarHBondContact CB-OG 3.42Å; K469-H666 PolarHBondContact O-ND1 3.25Å
470P86.3Confident83.2Confident4 Ų434.7 Ų34.73%0.02619%0.185CC..PPolyproline II helixtrans-59.2160.2163.1-22.334.2000111.2V408 R468 S473 W662 R663 I665V408-P470 HydrophobicContact CG1-CG 3.76Å; V408-P470 HydrophobicContact CG2-CG 4.22Å; R468-P470 VanDerWaalsContact O-CD 3.26Å; R468-P470 WeakPolarHBondContact O-CD 3.44Å; P470-S473 VanDerWaalsContact CD-OG 3.3Å; P470-S473 WeakPolarHBondContact CD-OG 3.46Å; P470-S473 WeakPolarHBondContact O-CB 3.38Å; P470-S473 PolarHBondContact O-N 3.45Å; P470-S473 PolarHBondContact O-OG 3.28Å; P470-W662 WeakPolarHBondContact CB-O 3.47Å; P470-R663 WeakPolarHBondContact CG-O 3.44Å; P470-I665 CarbonylContact C-O 3.5Å; P470-I665 VanDerWaalsContact CA-O 3.27Å; P470-I665 WeakPolarHBondContact CA-O 2.72Å; P470-I665 VanDerWaalsContact CB-O 3.31Å; P470-I665 WeakPolarHBondContact CB-O 3.48Å
471L85Confident84.1Confident2 Ų236.1 Ų36.11%0.0119%0.19CC..THydrogen-bonded Turntrans-50.8143.5165.3-71.5-175.1000109.4R460 S473 W662 I665 Q667 M668R460-L471 VanDerWaalsContact NH2-CD2 3.32Å; L471-S473 PolarHBondContact O-N 3.26Å; L471-W662 HydrophobicContact CB-CE3 4.45Å; L471-W662 HydrophobicContact CB-CZ3 4.48Å; L471-I665 HydrophobicContact CB-CG2 4.22Å; L471-I665 WeakPolarHBondContact CB-O 3.47Å; L471-I665 HydrophobicContact CD1-CG2 3.77Å; L471-I665 HydrophobicContact CG-CG2 4.25Å; L471-I665 PolarHBondContact N-O 3.37Å; L471-Q667 VanDerWaalsContact CD1-C 3.45Å; L471-M668 HydrophobicContact CD1-CG 4.28Å; L471-M668 HydrophobicContact CD1-SD 3.74Å
472R91.1Very high84.9Confident3 Ų335.5 Ų35.51%0.01119%0.187CC..THydrogen-bonded Turntrans62.39.7179.8-49.5-174.169174.410.9115.2R485 F486 N589 E594 Y635 W662R472-R485 CarbonylContact O-C 3.6Å; R472-R485 WeakPolarHBondContact O-CA 3.37Å; R472-R485 PolarHBondContact O-N 3.13Å; R472-F486 PolarHBondContact O-N 2.83Å; R472-N589 PolarHBondContact NH2-O 3.45Å; R472-E594 WeakPolarHBondContact CB-OE1 3.45Å; R472-E594 VanDerWaalsContact CG-OE1 3.26Å; R472-E594 WeakPolarHBondContact CG-OE1 3.32Å; R472-E594 IonicContact CZ-OE1 3.44Å; R472-E594 IonicContact CZ-OE2 3.34Å; R472-E594 IonicContact NE-OE1 3.65Å; R472-E594 PolarHBondContact NE-OE1 3.43Å; R472-E594 IonicContact NE-OE2 2.89Å; R472-E594 PolarHBondContact NE-OE2 3.25Å; R472-E594 IonicContact NH2-OE1 2.74Å; R472-E594 PolarHBondContact NH2-OE1 3.04Å; R472-E594 IonicContact NH2-OE2 3.72Å; R472-E594 PolarHBondContact NH2-OE2 3.21Å; R472-Y635 HydrophobicContact CG-CD2 4.31Å; R472-Y635 HydrophobicContact CG-CE1 4.33Å; R472-Y635 HydrophobicContact CG-CE2 3.6Å; R472-W662 HydrophobicContact CB-CE3 4.41Å; R472-W662 VanDerWaalsContact CD-CE3 3.47Å; R472-W662 VanDerWaalsContact CD-CZ3 3.4Å; R472-W662 HydrophobicContact CG-CD2 4.49Å; R472-W662 HydrophobicContact CG-CE3 3.92Å; R472-W662 HydrophobicContact CG-CZ3 3.97Å
473S91.6Very high85.6Confident9 Ų935.3 Ų35.36%0.06319%0.186CC..  trans-93.6151.7176.675.70000112.7K469 P470 L471 V483K469-S473 WeakPolarHBondContact CB-OG 3.42Å; P470-S473 VanDerWaalsContact CD-OG 3.3Å; P470-S473 WeakPolarHBondContact CD-OG 3.46Å; P470-S473 WeakPolarHBondContact O-CB 3.38Å; P470-S473 PolarHBondContact O-N 3.45Å; P470-S473 PolarHBondContact O-OG 3.28Å; L471-S473 PolarHBondContact O-N 3.26Å; S473-V483 WeakPolarHBondContact CA-O 3.29Å; S473-V483 WeakPolarHBondContact CB-O 3.45Å
474K92.5Very high86.5Confident79 Ų7933.7 Ų33.734%0.34318%0.176SC..EExtended strand (participates in β ladder)trans-144.8146.3172.6-173.9175.1176.3-175.60110.4C476 C482 V483 F486 N593K474-C476 PolarHBondContact O-N 3.2Å; K474-C482 WeakPolarHBondContact O-CA 3.34Å; K474-V483 PolarHBondContact N-O 2.85Å; K474-V483 VanDerWaalsContact N-O 3.11Å; K474-V483 PolarHBondContact O-N 2.82Å; K474-F486 HydrophobicContact CB-CB 3.88Å; K474-F486 HydrophobicContact CB-CD1 3.7Å; K474-F486 HydrophobicContact CB-CE1 4.43Å; K474-F486 HydrophobicContact CB-CG 3.88Å; K474-F486 HydrophobicContact CD-CD1 3.73Å; K474-F486 HydrophobicContact CD-CE1 3.79Å; K474-F486 HydrophobicContact CG-CD1 4.17Å; K474-F486 HydrophobicContact CG-CE1 4.44Å; K474-N593 WeakPolarHBondContact CD-OD1 3.27Å; K474-N593 PolarHBondContact NZ-OD1 2.79Å
475H91.6Very high87.3Confident32 Ų3232.7 Ų32.715%0.14817%0.169CC..EExtended strand (participates in β ladder)trans-74.2122.2170.4-179.188.4000110.2T464 C465 D480T464-H475 VanDerWaalsContact CG2-CE1 3.41Å; T464-H475 WeakPolarHBondContact CG2-CE1 3.22Å; C465-H475 PolarHBondContact SG-ND1 3.29Å; H475-D480 IonicContact CE1-OD1 2.76Å; H475-D480 PolarHBondContact CE1-OD1 3.02Å; H475-D480 IonicContact NE2-OD1 3.59Å
476C93.3Very high88.1Confident5 Ų532.3 Ų32.33%0.03417%0.165CC..EExtended strand (participates in β ladder)trans-89.1116.4171.1177.40000109.4K474 T478 C479 D480 R481 V483 F486 C496K474-C476 PolarHBondContact O-N 3.2Å; C476-T478 VanDerWaalsContact C-N 3.26Å; C476-T478 PolarHBondContact O-N 2.9Å; C476-C479 HydrophobicContact CB-CB 4.14Å; C476-C479 PolarHBondContact O-N 3.22Å; C476-C479 PolarHBondContact SG-N 3.19Å; C476-C479 VanDerWaalsContact SG-N 3.43Å; C476-D480 VanDerWaalsContact O-CA 3.27Å; C476-D480 WeakPolarHBondContact O-CA 3.44Å; C476-D480 PolarHBondContact O-N 2.56Å; C476-R481 PolarHBondContact N-O 3.03Å; C476-R481 PolarHBondContact O-N 2.84Å; C476-V483 HydrophobicContact CB-CG2 4.45Å; C476-F486 HydrophobicContact CB-CE2 3.98Å; C476-C496 PolarHBondContact SG-SG 3.49Å
477S87.2Confident89.3Confident100 Ų10031.9 Ų31.970%0.69916%0.163SC*.THydrogen-bonded Turntrans-67.8-22.4178.953.90000114.2
478T87.1Confident90.2Very high72 Ų7234.2 Ų34.244%0.44217%0.174SC..THydrogen-bonded Turntrans-78.9-44.4177.3-510000111.6C476 D480 H489C476-T478 VanDerWaalsContact C-N 3.26Å; C476-T478 PolarHBondContact O-N 2.9Å; T478-D480 VanDerWaalsContact C-N 3.31Å; T478-H489 WeakPolarHBondContact CG2-NE2 3.4Å
479C89Confident91.1Very high30 Ų3032.8 Ų32.820%0.20317%0.17CC..THydrogen-bonded Turntrans-81.6-13.7175.8-660000112.9Y407 C476 R481 H489 C496Y407-C479 HydrophobicContact CE1-CB 4.05Å; Y407-C479 PolarHBondContact OH-SG 3.17Å; C476-C479 HydrophobicContact CB-CB 4.14Å; C476-C479 PolarHBondContact O-N 3.22Å; C476-C479 PolarHBondContact SG-N 3.19Å; C476-C479 VanDerWaalsContact SG-N 3.43Å; C479-R481 PolarHBondContact O-N 3.14Å; C479-H489 PolarHBondContact SG-CE1 3.44Å; C479-H489 PolarHBondContact SG-ND1 3.47Å; C479-C496 PolarHBondContact SG-SG 3.38Å
480D86.6Confident91.6Very high89 Ų8930.3 Ų30.348%0.47616%0.16SC..THydrogen-bonded Turntrans54.934.7-173.8-153.524.6000113.1T464 H475 C476 T478T464-D480 WeakPolarHBondContact CG2-OD1 3.19Å; H475-D480 IonicContact CE1-OD1 2.76Å; H475-D480 PolarHBondContact CE1-OD1 3.02Å; H475-D480 IonicContact NE2-OD1 3.59Å; C476-D480 VanDerWaalsContact O-CA 3.27Å; C476-D480 WeakPolarHBondContact O-CA 3.44Å; C476-D480 PolarHBondContact O-N 2.56Å; T478-D480 VanDerWaalsContact C-N 3.31Å
481R90.3Very high91.9Very high99 Ų9931.8 Ų31.837%0.37417%0.169SC..EExtended strand (participates in β ladder)trans-143.4149.5-175.5-67.8-174-170.2-159.12.3112.2Y407 D409 C476 C479Y407-R481 HydrophobicContact CD1-CB 3.59Å; Y407-R481 HydrophobicContact CD1-CG 4.37Å; Y407-R481 HydrophobicContact CE1-CB 3.81Å; Y407-R481 HydrophobicContact CG-CB 4.41Å; D409-R481 IonicContact OD2-CZ 3.88Å; D409-R481 IonicContact OD2-NE 3.02Å; D409-R481 IonicContact OD2-NH1 3.85Å; D409-R481 PolarHBondContact OD2-NH1 3.02Å; C476-R481 PolarHBondContact N-O 3.03Å; C476-R481 PolarHBondContact O-N 2.84Å; C479-R481 PolarHBondContact O-N 3.14Å
482C92.5Very high92.2Very high1 Ų135.1 Ų35.11%0.00718%0.182CC..EExtended strand (participates in β ladder)trans-75.4131.2168.6-80.80000110.8Y407 V408 C462 C465 I467 K474Y407-C482 WeakPolarHBondContact CA-O 3.48Å; V408-C482 HydrophobicContact CB-CB 4.18Å; V408-C482 HydrophobicContact CG2-CB 4.02Å; V408-C482 PolarHBondContact N-O 3.3Å; C462-C482 PolarHBondContact SG-SG 3.01Å; C465-C482 PolarHBondContact SG-N 3.47Å; I467-C482 HydrophobicContact CD1-CB 3.81Å; K474-C482 WeakPolarHBondContact O-CA 3.34Å
483V95.3Very high92.4Very high0 Ų035 Ų350%018%0.181CC..EExtended strand (participates in β ladder)trans-116.1130.1178.3-178.80000108.4P405 Y407 S473 K474 C476 F486 C496P405-V483 HydrophobicContact CB-CG1 4.05Å; P405-V483 HydrophobicContact CG-CG1 4.28Å; P405-V483 HydrophobicContact CG-CG2 4.38Å; Y407-V483 HydrophobicContact CD1-CG2 3.73Å; Y407-V483 HydrophobicContact CE1-CG2 3.73Å; S473-V483 WeakPolarHBondContact CA-O 3.29Å; S473-V483 WeakPolarHBondContact CB-O 3.45Å; K474-V483 PolarHBondContact N-O 2.85Å; K474-V483 VanDerWaalsContact N-O 3.11Å; K474-V483 PolarHBondContact O-N 2.82Å; C476-V483 HydrophobicContact CB-CG2 4.45Å; V483-F486 HydrophobicContact CB-CB 4.25Å; V483-F486 HydrophobicContact CB-CD2 3.84Å; V483-F486 HydrophobicContact CG1-CB 4.46Å; V483-F486 HydrophobicContact CG1-CD2 4.21Å; V483-F486 HydrophobicContact CG2-CD2 4.25Å; V483-C496 HydrophobicContact CG1-CB 4.42Å; V483-C496 HydrophobicContact CG2-CB 4.02Å
484A93.8Very high92.4Very high0 Ų038.5 Ų38.50%019%0.194CC..THydrogen-bonded Turntrans-77.7144.2174.800000111.5G406 V408 F486 M499 W662 R663G406-A484 PolarHBondContact O-N 3.4Å; V408-A484 HydrophobicContact CG2-CB 4.17Å; A484-F486 PolarHBondContact O-N 3.17Å; A484-M499 HydrophobicContact CB-CE 3.69Å; A484-M499 PolarHBondContact O-N 3.49Å; A484-M499 VanDerWaalsContact O-N 3.08Å; A484-W662 HydrophobicContact CB-CB 4.39Å; A484-R663 HydrophobicContact CB-CB 4.39Å; A484-R663 HydrophobicContact CB-CG 3.48Å; A484-R663 VanDerWaalsContact CB-CG 3.48Å
485R93.7Very high92.5Very high9 Ų935.3 Ų35.33%0.03418%0.18CC..THydrogen-bonded Turntrans46.451.6-170.7-167.7-177.4172.3157.75.6110.8R472 D487 G498 M499 N589 T591 D645R472-R485 CarbonylContact O-C 3.6Å; R472-R485 WeakPolarHBondContact O-CA 3.37Å; R472-R485 PolarHBondContact O-N 3.13Å; R485-D487 PolarHBondContact O-N 3.38Å; R485-G498 WeakPolarHBondContact O-CA 3.34Å; R485-M499 HydrophobicContact CB-CB 4.02Å; R485-N589 PolarHBondContact NH2-OD1 2.94Å; R485-T591 HydrophobicContact CG-CG2 3.84Å; R485-D645 IonicContact CZ-OD2 3.52Å; R485-D645 IonicContact NH1-OD2 3.43Å; R485-D645 PolarHBondContact NH1-OD2 3.37Å; R485-D645 IonicContact NH2-OD2 3.49Å
486F95.8Very high92.8Very high14 Ų1433.8 Ų33.86%0.06117%0.173CC..  trans-67.8124.6-174.1175.5-96.8000110.9R472 K474 C476 V483 A484 T591 N593R472-F486 PolarHBondContact O-N 2.83Å; K474-F486 HydrophobicContact CB-CB 3.88Å; K474-F486 HydrophobicContact CB-CD1 3.7Å; K474-F486 HydrophobicContact CB-CE1 4.43Å; K474-F486 HydrophobicContact CB-CG 3.88Å; K474-F486 HydrophobicContact CD-CD1 3.73Å; K474-F486 HydrophobicContact CD-CE1 3.79Å; K474-F486 HydrophobicContact CG-CD1 4.17Å; K474-F486 HydrophobicContact CG-CE1 4.44Å; C476-F486 HydrophobicContact CB-CE2 3.98Å; V483-F486 HydrophobicContact CB-CB 4.25Å; V483-F486 HydrophobicContact CB-CD2 3.84Å; V483-F486 HydrophobicContact CG1-CB 4.46Å; V483-F486 HydrophobicContact CG1-CD2 4.21Å; V483-F486 HydrophobicContact CG2-CD2 4.25Å; A484-F486 PolarHBondContact O-N 3.17Å; F486-T591 WeakPolarHBondContact O-CB 3.21Å; F486-T591 PolarHBondContact O-OG1 3.23Å; F486-N593 HydrophobicContact CD1-CB 3.89Å; F486-N593 HydrophobicContact CE1-CB 4.2Å
487D96.3Very high93Very high2 Ų233.6 Ų33.61%0.01117%0.172CC..  trans-96.3-65.8172.6-16874.6000111.1R485 V497 H502 Q581 T591 T592 N593R485-D487 PolarHBondContact O-N 3.38Å; D487-V497 HydrophobicContact CB-CB 4.26Å; D487-V497 HydrophobicContact CB-CG1 4.15Å; D487-V497 PolarHBondContact N-O 2.86Å; D487-H502 IonicContact OD1-CE1 3.85Å; D487-H502 PolarHBondContact OD1-CE1 3.1Å; D487-Q581 PolarHBondContact OD2-NE2 2.99Å; D487-Q581 PolarHBondContact OD2-OE1 3.22Å; D487-T591 HydrophobicContact CB-CG2 4.39Å; D487-T591 WeakPolarHBondContact OD1-CA 3.45Å; D487-T591 VanDerWaalsContact OD1-CB 3.26Å; D487-T591 WeakPolarHBondContact OD1-CB 3.2Å; D487-T592 WeakPolarHBondContact OD1-CB 3.47Å; D487-T592 PolarHBondContact OD1-N 3.39Å; D487-T592 PolarHBondContact OD1-OG1 3.4Å; D487-T592 PolarHBondContact OD2-OG1 3.1Å; D487-N593 VanDerWaalsContact O-CB 3.24Å; D487-N593 WeakPolarHBondContact O-CB 3.27Å; D487-N593 PolarHBondContact O-N 3.07Å
488H95.1Very high93.4Very high51 Ų5128.8 Ų28.824%0.23614%0.138CC..EExtended strand (participates in β ladder)trans-162.7167.4173.264-73.3000110.9C490 V497 F505H488-C490 WeakPolarHBondContact NE2-CB 3.46Å; H488-V497 PolarHBondContact O-N 2.87Å; H488-F505 AromaticContact CE1-CE1 3.68Å; H488-F505 AromaticContact CE1-CZ 3.83Å; H488-F505 AromaticContact NE2-CZ 3.88Å
489H95.2Very high93.6Very high32 Ų3227 Ų2715%0.14813%0.126CC..EExtended strand (participates in β ladder)trans-87.8121.2162.6-174.391.2000108.6T478 C479 P491 C496T478-H489 WeakPolarHBondContact CG2-NE2 3.4Å; C479-H489 PolarHBondContact SG-CE1 3.44Å; C479-H489 PolarHBondContact SG-ND1 3.47Å; H489-P491 WeakPolarHBondContact O-CD 3.4Å; H489-C496 PolarHBondContact ND1-SG 3.06Å; H489-C496 VanDerWaalsContact ND1-SG 3.38Å
490C94.6Very high93.8Very high4 Ų428 Ų283%0.02713%0.129CC..EExtended strand (participates in β ladder)trans-102.2110.1-173.5-176.20000110.8H488 W492 I493 Y494 N495 V497 F505H488-C490 WeakPolarHBondContact NE2-CB 3.46Å; C490-W492 PolarHBondContact O-N 3.2Å; C490-I493 HydrophobicContact CB-CD1 4.07Å; C490-I493 HydrophobicContact CB-CG1 3.6Å; C490-I493 PolarHBondContact O-N 2.97Å; C490-Y494 PolarHBondContact O-N 2.92Å; C490-N495 PolarHBondContact N-O 3.2Å; C490-N495 PolarHBondContact O-N 3.1Å; C490-V497 HydrophobicContact CB-CG2 4Å; C490-F505 HydrophobicContact CB-CE2 4.34Å
491P92.1Very high94.2Very high35 Ų3523.8 Ų23.823%0.22711%0.106CC..THydrogen-bonded Turntrans-61.2-28178.4-23.434.8000113.2L353 F354 H489 I493 Y494L353-P491 HydrophobicContact CB-CB 3.99Å; L353-P491 HydrophobicContact CD1-CB 3.81Å; L353-P491 HydrophobicContact CD1-CG 4.27Å; F354-P491 WeakPolarHBondContact CA-O 3.27Å; F354-P491 VanDerWaalsContact CB-O 3.32Å; F354-P491 WeakPolarHBondContact CB-O 3.4Å; F354-P491 PolarHBondContact N-O 2.88Å; H489-P491 WeakPolarHBondContact O-CD 3.4Å; P491-I493 VanDerWaalsContact C-N 3.33Å; P491-I493 PolarHBondContact O-N 3.23Å; P491-Y494 PolarHBondContact O-N 3.36Å
492W92.2Very high94.4Very high72 Ų7219.2 Ų19.227%0.2739%0.089SC..THydrogen-bonded Turntrans-70.5-26-176.9-5696.3000113.9L353 A357 C490L353-W492 HydrophobicContact CD2-CH2 4.14Å; L353-W492 HydrophobicContact CD2-CZ2 4.29Å; A357-W492 HydrophobicContact CB-CE3 3.64Å; A357-W492 HydrophobicContact CB-CZ3 4.31Å; C490-W492 PolarHBondContact O-N 3.2Å
493I93.8Very high94.5Very high0 Ų022.1 Ų22.10%010%0.102CC..THydrogen-bonded Turntrans-1121.817359.9161.2000112.2F397 C400 Y401 C490 P491 N495 V497 F505 Y508F397-I493 HydrophobicContact CD2-CG2 4.17Å; F397-I493 HydrophobicContact CE2-CG2 4.34Å; C400-I493 HydrophobicContact CB-CB 4.25Å; C400-I493 HydrophobicContact CB-CD1 3.76Å; C400-I493 HydrophobicContact CB-CG2 4.06Å; Y401-I493 WeakPolarHBondContact CD2-O 3.48Å; C490-I493 HydrophobicContact CB-CD1 4.07Å; C490-I493 HydrophobicContact CB-CG1 3.6Å; C490-I493 PolarHBondContact O-N 2.97Å; P491-I493 VanDerWaalsContact C-N 3.33Å; P491-I493 PolarHBondContact O-N 3.23Å; I493-N495 HydrophobicContact CD1-CB 4.26Å; I493-N495 HydrophobicContact CG1-CB 4.46Å; I493-N495 PolarHBondContact O-N 3.06Å; I493-N495 VanDerWaalsContact O-N 3.11Å; I493-V497 HydrophobicContact CD1-CG2 3.91Å; I493-F505 HydrophobicContact CD1-CD2 4.01Å; I493-F505 HydrophobicContact CD1-CE2 4.38Å; I493-Y508 HydrophobicContact CG2-CD1 4.12Å; I493-Y508 HydrophobicContact CG2-CE1 3.78Å
494Y92.3Very high94.6Very high83 Ų8325 Ų2533%0.32511%0.113SC..THydrogen-bonded Turntrans47.637-177.4-161.8-113.2000114.6A350 V351 F354 Y401 C490 P491A350-Y494 HydrophobicContact CB-CE2 4.47Å; V351-Y494 HydrophobicContact CB-CE2 4.43Å; V351-Y494 HydrophobicContact CG2-CD2 4.15Å; V351-Y494 HydrophobicContact CG2-CE2 3.37Å; F354-Y494 VanDerWaalsContact CD2-CB 3.49Å; Y401-Y494 HydrophobicContact CE2-CD1 4.35Å; C490-Y494 PolarHBondContact O-N 2.92Å; P491-Y494 PolarHBondContact O-N 3.36Å
495N95.1Very high94.7Very high12 Ų1225.2 Ų25.26%0.06411%0.114CC..EExtended strand (participates in β ladder)trans-149.2162.2179.3-164.39.4000110C400 Y401 K403 C490 I493C400-N495 PolarHBondContact O-ND2 3.02Å; Y401-N495 PolarHBondContact O-ND2 3.3Å; K403-N495 PolarHBondContact O-ND2 3.41Å; C490-N495 PolarHBondContact N-O 3.2Å; C490-N495 PolarHBondContact O-N 3.1Å; I493-N495 HydrophobicContact CD1-CB 4.26Å; I493-N495 HydrophobicContact CG1-CB 4.46Å; I493-N495 PolarHBondContact O-N 3.06Å; I493-N495 VanDerWaalsContact O-N 3.11Å
496C97Very high94.9Very high0 Ų025 Ų250%011%0.113CC..EExtended strand (participates in β ladder)trans-70.3149.8168.7-680000111.1P405 C476 C479 V483 H489 N501P405-C496 HydrophobicContact CB-CB 3.89Å; P405-C496 WeakPolarHBondContact CB-O 3.36Å; P405-C496 HydrophobicContact CG-CB 3.89Å; C476-C496 PolarHBondContact SG-SG 3.49Å; C479-C496 PolarHBondContact SG-SG 3.38Å; V483-C496 HydrophobicContact CG1-CB 4.42Å; V483-C496 HydrophobicContact CG2-CB 4.02Å; H489-C496 PolarHBondContact ND1-SG 3.06Å; H489-C496 VanDerWaalsContact ND1-SG 3.38Å; C496-N501 PolarHBondContact O-ND2 3.39Å; C496-N501 PolarHBondContact O-OD1 3.06Å
497V97.4Very high94.9Very high0 Ų026.7 Ų26.70%012%0.122CC..EExtended strand (participates in β ladder)trans-100.8118.5164.4-177.30000107D487 H488 C490 I493 N501 H502 F505D487-V497 HydrophobicContact CB-CB 4.26Å; D487-V497 HydrophobicContact CB-CG1 4.15Å; D487-V497 PolarHBondContact N-O 2.86Å; H488-V497 PolarHBondContact O-N 2.87Å; C490-V497 HydrophobicContact CB-CG2 4Å; I493-V497 HydrophobicContact CD1-CG2 3.91Å; V497-N501 WeakPolarHBondContact CA-OD1 3.26Å; V497-H502 HydrophobicContact CG1-CB 4.15Å; V497-F505 HydrophobicContact CB-CD1 4.49Å; V497-F505 HydrophobicContact CG1-CB 4Å; V497-F505 HydrophobicContact CG1-CD1 3.84Å; V497-F505 HydrophobicContact CG1-CG 3.99Å; V497-F505 HydrophobicContact CG2-CB 4.24Å; V497-F505 HydrophobicContact CG2-CD1 3.89Å; V497-F505 HydrophobicContact CG2-CD2 3.75Å; V497-F505 HydrophobicContact CG2-CE1 4.14Å; V497-F505 HydrophobicContact CG2-CE2 4.03Å; V497-F505 HydrophobicContact CG2-CG 3.67Å; V497-F505 HydrophobicContact CG2-CZ 4.2Å
498G95.7Very high95Very high0 Ų026.8 Ų26.80%012%0.123CC..  trans-150.7-166-177.400000112.2P405 R485 N500 N501 H502P405-G498 CarbonylContact O-C 3.55Å; P405-G498 WeakPolarHBondContact O-CA 3.49Å; R485-G498 WeakPolarHBondContact O-CA 3.34Å; G498-N500 VanDerWaalsContact C-N 3.28Å; G498-N500 PolarHBondContact O-N 3.11Å; G498-N501 PolarHBondContact N-OD1 3.06Å; G498-N501 PolarHBondContact O-N 2.87Å; G498-N501 PolarHBondContact O-OD1 2.95Å; G498-H502 WeakPolarHBondContact O-CB 3.32Å; G498-H502 PolarHBondContact O-N 3.25Å
499M92.4Very high95.1Very high35 Ų3524.6 Ų24.617%0.17211%0.113CC..THydrogen-bonded Turntrans-39.3-51.1-175.7178-162.1-68.600114.8P405 A484 R485 D661 W662 R663P405-M499 PolarHBondContact O-N 3.11Å; A484-M499 HydrophobicContact CB-CE 3.69Å; A484-M499 PolarHBondContact O-N 3.49Å; A484-M499 VanDerWaalsContact O-N 3.08Å; R485-M499 HydrophobicContact CB-CB 4.02Å; M499-D661 WeakPolarHBondContact CE-OD1 3.49Å; M499-W662 VanDerWaalsContact CE-CA 3.41Å; M499-W662 HydrophobicContact CE-CB 3.28Å; M499-W662 HydrophobicContact CE-CG 3.99Å; M499-R663 HydrophobicContact CE-CG 3.99Å
500N92.2Very high95.2Very high51 Ų5125.8 Ų25.827%0.27312%0.12SC..THydrogen-bonded Turntrans-88.6-16-165.3-76.9-20.3000114.4K403 N404 P405 G498K403-N500 WeakPolarHBondContact CD-O 3.4Å; K403-N500 WeakPolarHBondContact CE-O 3.41Å; K403-N500 PolarHBondContact NZ-O 3.14Å; N404-N500 WeakPolarHBondContact O-CB 3.19Å; P405-N500 PolarHBondContact O-N 3.44Å; P405-N500 VanDerWaalsContact O-N 3.1Å; G498-N500 VanDerWaalsContact C-N 3.28Å; G498-N500 PolarHBondContact O-N 3.11Å
501N95Very high95.4Very high0 Ų025.7 Ų25.70%012%0.119CC..THydrogen-bonded Turntrans-126.7-2.5-174.872.8-12.9000115C400 K403 C496 V497 G498 F503 Y504 F505C400-N501 PolarHBondContact O-ND2 2.84Å; K403-N501 HydrophobicContact CB-CB 4.45Å; C496-N501 PolarHBondContact O-ND2 3.39Å; C496-N501 PolarHBondContact O-OD1 3.06Å; V497-N501 WeakPolarHBondContact CA-OD1 3.26Å; G498-N501 PolarHBondContact N-OD1 3.06Å; G498-N501 PolarHBondContact O-N 2.87Å; G498-N501 PolarHBondContact O-OD1 2.95Å; N501-F503 VanDerWaalsContact C-N 3.28Å; N501-F503 PolarHBondContact O-N 2.98Å; N501-Y504 HydrophobicContact CB-CD2 4.34Å; N501-Y504 PolarHBondContact O-N 3.43Å; N501-F505 PolarHBondContact O-N 3.07Å
502H95.4Very high95.6Very high3 Ų324 Ų241%0.01411%0.109CC..Hα-helixtrans-55.6-41.5178.8-149.6146.9000112.8D487 V497 G498 F505 I506 Q581 M585 L646D487-H502 IonicContact OD1-CE1 3.85Å; D487-H502 PolarHBondContact OD1-CE1 3.1Å; V497-H502 HydrophobicContact CG1-CB 4.15Å; G498-H502 WeakPolarHBondContact O-CB 3.32Å; G498-H502 PolarHBondContact O-N 3.25Å; H502-F505 WeakPolarHBondContact O-CB 3.18Å; H502-F505 PolarHBondContact O-N 2.98Å; H502-F505 VanDerWaalsContact O-N 3.17Å; H502-I506 PolarHBondContact O-N 3.21Å; H502-Q581 PolarHBondContact NE2-OE1 3.36Å; H502-M585 PolarHBondContact CE1-SD 3.42Å; H502-L646 HydrophobicContact CB-CD1 4.41Å
503F94.9Very high95.8Very high61 Ų6121.1 Ų21.127%0.26810%0.099SC..Hα-helixtrans-59.8-51.2177.6178.3-113.5000112.5N501 F505 I506 I507 L646 I647N501-F503 VanDerWaalsContact C-N 3.28Å; N501-F503 PolarHBondContact O-N 2.98Å; F503-F505 PolarHBondContact O-N 3.36Å; F503-I506 PolarHBondContact O-N 3.33Å; F503-I506 VanDerWaalsContact O-N 3.11Å; F503-I507 HydrophobicContact CD2-CG1 4.41Å; F503-I507 HydrophobicContact CE1-CG1 4.07Å; F503-I507 HydrophobicContact CE2-CD1 3.96Å; F503-I507 HydrophobicContact CE2-CG1 3.94Å; F503-I507 HydrophobicContact CZ-CD1 3.98Å; F503-I507 HydrophobicContact CZ-CG1 3.76Å; F503-I507 WeakPolarHBondContact O-CG1 3.47Å; F503-I507 PolarHBondContact O-N 3.1Å; F503-L646 HydrophobicContact CB-CD1 4.44Å; F503-L646 WeakPolarHBondContact CB-O 3.25Å; F503-L646 HydrophobicContact CD2-CG 4.2Å; F503-I647 HydrophobicContact CD2-CG1 4.2Å; F503-I647 HydrophobicContact CE2-CB 4.47Å; F503-I647 HydrophobicContact CE2-CG1 3.74Å; F503-I647 HydrophobicContact CZ-CG1 4.32Å
504Y96Very high96Very high62 Ų6223 Ų2324%0.24311%0.11CC..Hα-helixtrans-61.9-32.6177.1-51-65.9000111.4L399 K403 N501 I507 Y508L399-Y504 HydrophobicContact CB-CD1 4.35Å; L399-Y504 HydrophobicContact CB-CD2 4.25Å; L399-Y504 HydrophobicContact CB-CG 4.05Å; L399-Y504 HydrophobicContact CD1-CD1 3.74Å; L399-Y504 HydrophobicContact CD1-CE1 3.8Å; L399-Y504 HydrophobicContact CD1-CG 4.29Å; K403-Y504 HydrophobicContact CD-CD2 4.09Å; K403-Y504 HydrophobicContact CD-CE2 3.49Å; K403-Y504 VanDerWaalsContact CD-CE2 3.49Å; K403-Y504 VanDerWaalsContact NZ-CE2 3.29Å; K403-Y504 PolarHBondContact NZ-OH 3.4Å; N501-Y504 HydrophobicContact CB-CD2 4.34Å; N501-Y504 PolarHBondContact O-N 3.43Å; Y504-I507 PolarHBondContact O-N 3.45Å; Y504-Y508 WeakPolarHBondContact O-CB 3.33Å; Y504-Y508 PolarHBondContact O-N 3.22Å
505F97.3Very high96.3Very high4 Ų419.2 Ų19.22%0.01810%0.096CC..Hα-helixtrans-64-41176.2-177.4-108.7000111.8C400 H488 C490 I493 V497 N501 H502 F503 Y508 L509 Q581C400-F505 WeakPolarHBondContact SG-CA 3.31Å; C400-F505 PolarHBondContact SG-N 2.95Å; H488-F505 AromaticContact CE1-CE1 3.68Å; H488-F505 AromaticContact CE1-CZ 3.83Å; H488-F505 AromaticContact NE2-CZ 3.88Å; C490-F505 HydrophobicContact CB-CE2 4.34Å; I493-F505 HydrophobicContact CD1-CD2 4.01Å; I493-F505 HydrophobicContact CD1-CE2 4.38Å; V497-F505 HydrophobicContact CB-CD1 4.49Å; V497-F505 HydrophobicContact CG1-CB 4Å; V497-F505 HydrophobicContact CG1-CD1 3.84Å; V497-F505 HydrophobicContact CG1-CG 3.99Å; V497-F505 HydrophobicContact CG2-CB 4.24Å; V497-F505 HydrophobicContact CG2-CD1 3.89Å; V497-F505 HydrophobicContact CG2-CD2 3.75Å; V497-F505 HydrophobicContact CG2-CE1 4.14Å; V497-F505 HydrophobicContact CG2-CE2 4.03Å; V497-F505 HydrophobicContact CG2-CG 3.67Å; V497-F505 HydrophobicContact CG2-CZ 4.2Å; N501-F505 PolarHBondContact O-N 3.07Å; H502-F505 WeakPolarHBondContact O-CB 3.18Å; H502-F505 PolarHBondContact O-N 2.98Å; H502-F505 VanDerWaalsContact O-N 3.17Å; F503-F505 PolarHBondContact O-N 3.36Å; F505-Y508 HydrophobicContact CD2-CD1 4.1Å; F505-Y508 HydrophobicContact CE2-CD1 4.22Å; F505-Y508 HydrophobicContact CE2-CE1 4.49Å; F505-Y508 WeakPolarHBondContact O-CB 3.3Å; F505-Y508 PolarHBondContact O-N 3.25Å; F505-L509 HydrophobicContact CD1-CD1 4.1Å; F505-L509 HydrophobicContact CE1-CD1 3.62Å; F505-L509 HydrophobicContact CE1-CG 4.28Å; F505-L509 HydrophobicContact CZ-CD1 3.94Å; F505-L509 HydrophobicContact CZ-CD2 4.27Å; F505-L509 HydrophobicContact CZ-CG 4.22Å; F505-L509 WeakPolarHBondContact O-CG 3.47Å; F505-L509 PolarHBondContact O-N 3.02Å; F505-Q581 HydrophobicContact CE1-CG 4.32Å
506I96.8Very high96.4Very high3 Ų318.9 Ų18.92%0.01510%0.095CC..Hα-helixtrans-65-44.2174.5-73173.1000111.2H502 F503 Y508 L509 L510 F578 Q581 F582 M585 L646H502-I506 PolarHBondContact O-N 3.21Å; F503-I506 PolarHBondContact O-N 3.33Å; F503-I506 VanDerWaalsContact O-N 3.11Å; I506-Y508 VanDerWaalsContact C-N 3.32Å; I506-Y508 PolarHBondContact O-N 3.39Å; I506-L509 PolarHBondContact O-N 2.9Å; I506-L510 PolarHBondContact O-N 3.23Å; I506-F578 HydrophobicContact CG2-CD2 4.07Å; I506-F578 HydrophobicContact CG2-CE2 3.8Å; I506-Q581 HydrophobicContact CG1-CB 4.26Å; I506-F582 HydrophobicContact CG2-CD2 3.95Å; I506-M585 HydrophobicContact CD1-CB 4.13Å; I506-M585 HydrophobicContact CD1-CG 3.79Å; I506-L646 HydrophobicContact CD1-CD1 4.06Å; I506-L646 HydrophobicContact CD1-CD2 3.69Å; I506-L646 HydrophobicContact CD1-CG 4.47Å
507I96.9Very high96.5Very high50 Ų5022.5 Ų22.526%0.25611%0.114SC..Hα-helixtrans-67.2-34.5176.7-56.2-57.5000111.4T396 F503 Y504 L510 S511T396-I507 HydrophobicContact CG2-CB 4.04Å; T396-I507 HydrophobicContact CG2-CG2 3.73Å; F503-I507 HydrophobicContact CD2-CG1 4.41Å; F503-I507 HydrophobicContact CE1-CG1 4.07Å; F503-I507 HydrophobicContact CE2-CD1 3.96Å; F503-I507 HydrophobicContact CE2-CG1 3.94Å; F503-I507 HydrophobicContact CZ-CD1 3.98Å; F503-I507 HydrophobicContact CZ-CG1 3.76Å; F503-I507 WeakPolarHBondContact O-CG1 3.47Å; F503-I507 PolarHBondContact O-N 3.1Å; Y504-I507 PolarHBondContact O-N 3.45Å; I507-L510 PolarHBondContact O-N 3.04Å; I507-S511 VanDerWaalsContact O-CB 3.28Å; I507-S511 WeakPolarHBondContact O-CB 3.31Å; I507-S511 PolarHBondContact O-N 3.41Å; I507-S511 PolarHBondContact O-OG 3.35Å
508Y97.4Very high96.5Very high4 Ų423.8 Ų23.82%0.01612%0.121CC..Hα-helixtrans-61.2-46.4173.1163.6-108.7000111.2L393 T396 F397 I493 Y504 F505 I506 S511 T512 Y570L393-Y508 HydrophobicContact CD2-CD2 4.47Å; L393-Y508 HydrophobicContact CD2-CE2 4.13Å; L393-Y508 HydrophobicContact CG-CD2 4.44Å; L393-Y508 HydrophobicContact CG-CE2 4.36Å; T396-Y508 WeakPolarHBondContact OG1-CA 3.42Å; F397-Y508 HydrophobicContact CB-CD2 3.91Å; F397-Y508 HydrophobicContact CB-CE2 3.96Å; F397-Y508 HydrophobicContact CD2-CD2 4.49Å; F397-Y508 AromaticContact CD2-CE2 3.87Å; F397-Y508 HydrophobicContact CD2-CE2 3.87Å; F397-Y508 HydrophobicContact CG-CE2 4.38Å; I493-Y508 HydrophobicContact CG2-CD1 4.12Å; I493-Y508 HydrophobicContact CG2-CE1 3.78Å; Y504-Y508 WeakPolarHBondContact O-CB 3.33Å; Y504-Y508 PolarHBondContact O-N 3.22Å; F505-Y508 HydrophobicContact CD2-CD1 4.1Å; F505-Y508 HydrophobicContact CE2-CD1 4.22Å; F505-Y508 HydrophobicContact CE2-CE1 4.49Å; F505-Y508 WeakPolarHBondContact O-CB 3.3Å; F505-Y508 PolarHBondContact O-N 3.25Å; I506-Y508 VanDerWaalsContact C-N 3.32Å; I506-Y508 PolarHBondContact O-N 3.39Å; Y508-S511 WeakPolarHBondContact CA-OG 3.38Å; Y508-S511 PolarHBondContact O-OG 3.24Å; Y508-S511 VanDerWaalsContact O-OG 3.11Å; Y508-T512 WeakPolarHBondContact CE2-OG1 3.45Å; Y508-T512 VanDerWaalsContact O-CB 3.27Å; Y508-T512 WeakPolarHBondContact O-CB 3.32Å; Y508-T512 PolarHBondContact O-N 3.05Å; Y508-T512 PolarHBondContact O-OG1 3.23Å; Y508-Y570 PolarHBondContact OH-OH 2.78Å; Y508-Y570 VanDerWaalsContact OH-OH 3.12Å
509L97.7Very high96.6Very high5 Ų523.8 Ų23.83%0.02612%0.121CC..Hα-helixtrans-63.3-43.6175.9-67.5174000111.8F505 I506 S513 L577 F578 Q581F505-L509 HydrophobicContact CD1-CD1 4.1Å; F505-L509 HydrophobicContact CE1-CD1 3.62Å; F505-L509 HydrophobicContact CE1-CG 4.28Å; F505-L509 HydrophobicContact CZ-CD1 3.94Å; F505-L509 HydrophobicContact CZ-CD2 4.27Å; F505-L509 HydrophobicContact CZ-CG 4.22Å; F505-L509 WeakPolarHBondContact O-CG 3.47Å; F505-L509 PolarHBondContact O-N 3.02Å; I506-L509 PolarHBondContact O-N 2.9Å; L509-S513 WeakPolarHBondContact O-CB 3.28Å; L509-S513 PolarHBondContact O-N 2.94Å; L509-L577 HydrophobicContact CD1-CB 3.96Å; L509-L577 HydrophobicContact CD2-CB 4.12Å; L509-L577 HydrophobicContact CD2-CD1 4.31Å; L509-F578 HydrophobicContact CB-CB 3.91Å; L509-Q581 HydrophobicContact CD1-CB 4.46Å; L509-Q581 HydrophobicContact CD1-CG 4.24Å
510L97.5Very high96.8Very high58 Ų5824 Ų2430%0.30412%0.122SC..Hα-helixtrans-61.7-52.3176.8178.561.2000111.8I506 I507 T512 S513 V514 F578I506-L510 PolarHBondContact O-N 3.23Å; I507-L510 PolarHBondContact O-N 3.04Å; L510-T512 VanDerWaalsContact C-N 3.31Å; L510-T512 PolarHBondContact O-N 3.44Å; L510-S513 PolarHBondContact O-N 2.89Å; L510-V514 HydrophobicContact CD1-CG2 4.07Å; L510-V514 WeakPolarHBondContact O-CG2 3.4Å; L510-V514 PolarHBondContact O-N 3.08Å; L510-F578 HydrophobicContact CB-CD2 3.82Å; L510-F578 HydrophobicContact CB-CE2 3.76Å; L510-F578 HydrophobicContact CB-CG 4.47Å; L510-F578 HydrophobicContact CB-CZ 4.36Å; L510-F578 HydrophobicContact CD1-CD1 4.4Å; L510-F578 HydrophobicContact CD1-CE1 4Å; L510-F578 HydrophobicContact CD1-CE2 4.15Å; L510-F578 HydrophobicContact CD1-CZ 3.87Å; L510-F578 HydrophobicContact CD2-CE2 4.34Å; L510-F578 HydrophobicContact CD2-CZ 4.4Å; L510-F578 HydrophobicContact CG-CE2 4.29Å; L510-F578 HydrophobicContact CG-CZ 4.43Å
511S97.9Very high97Very high1 Ų125.7 Ų25.71%0.00713%0.131CC..Hα-helixtrans-64.7-34.8-178.855.60000112.3L393 I507 Y508 S515L393-S511 WeakPolarHBondContact CA-OG 3.31Å; I507-S511 VanDerWaalsContact O-CB 3.28Å; I507-S511 WeakPolarHBondContact O-CB 3.31Å; I507-S511 PolarHBondContact O-N 3.41Å; I507-S511 PolarHBondContact O-OG 3.35Å; Y508-S511 WeakPolarHBondContact CA-OG 3.38Å; Y508-S511 PolarHBondContact O-OG 3.24Å; Y508-S511 VanDerWaalsContact O-OG 3.11Å; S511-S515 VanDerWaalsContact O-CB 3.22Å; S511-S515 WeakPolarHBondContact O-CB 3.34Å; S511-S515 PolarHBondContact O-N 3.5Å; S511-S515 PolarHBondContact O-OG 3.4Å; S511-S515 VanDerWaalsContact O-OG 3.06Å
512T97.2Very high97.1Very high1 Ų125.7 Ų25.71%0.00613%0.131CC..Hα-helixtrans-65.5-46.9171.8-54.30000111.9L393 Y508 L510 V514 S515 C516 Y570 T574L393-T512 HydrophobicContact CD1-CG2 4.14Å; Y508-T512 WeakPolarHBondContact CE2-OG1 3.45Å; Y508-T512 VanDerWaalsContact O-CB 3.27Å; Y508-T512 WeakPolarHBondContact O-CB 3.32Å; Y508-T512 PolarHBondContact O-N 3.05Å; Y508-T512 PolarHBondContact O-OG1 3.23Å; L510-T512 VanDerWaalsContact C-N 3.31Å; L510-T512 PolarHBondContact O-N 3.44Å; T512-V514 PolarHBondContact O-N 3.18Å; T512-S515 PolarHBondContact O-OG 3.42Å; T512-S515 VanDerWaalsContact O-OG 3.1Å; T512-C516 WeakPolarHBondContact O-CB 3.47Å; T512-C516 PolarHBondContact O-N 3.29Å; T512-C516 PolarHBondContact O-SG 3.03Å; T512-Y570 HydrophobicContact CG2-CD1 4.29Å; T512-Y570 HydrophobicContact CG2-CE1 3.85Å; T512-Y570 HydrophobicContact CG2-CE2 4.16Å; T512-T574 HydrophobicContact CG2-CG2 3.79Å
513S96.8Very high97.1Very high10 Ų1025.6 Ų25.67%0.0713%0.13CC..Hα-helixtrans-59.2-49.4176.8178.60000110.9L509 L510 C516 N517 T575L509-S513 WeakPolarHBondContact O-CB 3.28Å; L509-S513 PolarHBondContact O-N 2.94Å; L510-S513 PolarHBondContact O-N 2.89Å; S513-C516 PolarHBondContact O-N 2.91Å; S513-N517 PolarHBondContact O-N 2.83Å; S513-N517 VanDerWaalsContact O-N 3.11Å; S513-N517 PolarHBondContact O-ND2 3.24Å; S513-T575 PolarHBondContact OG-OG1 3.22Å
514V98.1Very high97Very high39 Ų3925.6 Ų25.624%0.23613%0.132CC..Hα-helixtrans-67-43.6-178.3176.50000111.5F389 L510 T512 C516 N517 L518F389-V514 HydrophobicContact CB-CG1 4.26Å; F389-V514 HydrophobicContact CD1-CB 3.92Å; F389-V514 HydrophobicContact CD1-CG1 3.77Å; F389-V514 HydrophobicContact CD2-CB 4.49Å; F389-V514 HydrophobicContact CD2-CG1 3.49Å; F389-V514 VanDerWaalsContact CD2-CG1 3.49Å; F389-V514 HydrophobicContact CE1-CB 4.16Å; F389-V514 HydrophobicContact CE1-CG1 3.92Å; F389-V514 HydrophobicContact CE1-CG2 4.32Å; F389-V514 HydrophobicContact CE2-CG1 3.66Å; F389-V514 HydrophobicContact CG-CB 4.1Å; F389-V514 HydrophobicContact CG-CG1 3.56Å; F389-V514 HydrophobicContact CZ-CG1 3.87Å; L510-V514 HydrophobicContact CD1-CG2 4.07Å; L510-V514 WeakPolarHBondContact O-CG2 3.4Å; L510-V514 PolarHBondContact O-N 3.08Å; T512-V514 PolarHBondContact O-N 3.18Å; V514-C516 VanDerWaalsContact C-N 3.32Å; V514-C516 PolarHBondContact O-N 2.78Å; V514-N517 PolarHBondContact O-N 3.26Å; V514-L518 HydrophobicContact CG1-CD1 3.84Å; V514-L518 HydrophobicContact CG1-CG 4.27Å; V514-L518 WeakPolarHBondContact O-CG 3.27Å; V514-L518 PolarHBondContact O-N 3.13Å
515S97.8Very high96.9Very high4 Ų423 Ų233%0.02812%0.123CC..Hα-helixtrans-64.1-36.2178.970.80000112.4L393 S511 T512 L518 F519L393-S515 WeakPolarHBondContact CD1-OG 3.33Å; S511-S515 VanDerWaalsContact O-CB 3.22Å; S511-S515 WeakPolarHBondContact O-CB 3.34Å; S511-S515 PolarHBondContact O-N 3.5Å; S511-S515 PolarHBondContact O-OG 3.4Å; S511-S515 VanDerWaalsContact O-OG 3.06Å; T512-S515 PolarHBondContact O-OG 3.42Å; T512-S515 VanDerWaalsContact O-OG 3.1Å; S515-L518 PolarHBondContact O-N 3.45Å; S515-F519 WeakPolarHBondContact O-CB 3.42Å; S515-F519 PolarHBondContact O-N 2.84Å
516C97.6Very high96.7Very high5 Ų523.3 Ų23.33%0.03412%0.124CC..Hα-helixtrans-66.6-40.9174.2-680000112.1T512 S513 V514 F519 M520T512-C516 WeakPolarHBondContact O-CB 3.47Å; T512-C516 PolarHBondContact O-N 3.29Å; T512-C516 PolarHBondContact O-SG 3.03Å; S513-C516 PolarHBondContact O-N 2.91Å; V514-C516 VanDerWaalsContact C-N 3.32Å; V514-C516 PolarHBondContact O-N 2.78Å; C516-F519 WeakPolarHBondContact O-CB 3.47Å; C516-F519 PolarHBondContact O-N 3.11Å; C516-M520 WeakPolarHBondContact O-CG 3.49Å; C516-M520 PolarHBondContact O-N 3.17Å
517N97.7Very high96.4Very high77 Ų7723.7 Ų23.741%0.41213%0.125SC..Hα-helixtrans-64.8-40.4174.4-79.4-80000112S513 V514 M520 L521 S571S513-N517 PolarHBondContact O-N 2.83Å; S513-N517 VanDerWaalsContact O-N 3.11Å; S513-N517 PolarHBondContact O-ND2 3.24Å; V514-N517 PolarHBondContact O-N 3.26Å; N517-M520 PolarHBondContact O-N 3.38Å; N517-L521 WeakPolarHBondContact O-CB 3.48Å; N517-L521 PolarHBondContact O-N 3.29Å; N517-S571 PolarHBondContact ND2-OG 2.58Å
518L98.2Very high96Very high26 Ų2626 Ų2614%0.13614%0.135CC..Hα-helixtrans-65.8-37.7175-69.1170.1000111.8L382 W385 F386 F389 V514 S515 L521 G522L382-L518 HydrophobicContact CD1-CD2 3.81Å; W385-L518 HydrophobicContact CB-CD1 4.17Å; W385-L518 HydrophobicContact CB-CD2 4.46Å; F386-L518 HydrophobicContact CB-CB 4.37Å; F386-L518 HydrophobicContact CD2-CB 3.98Å; F389-L518 HydrophobicContact CB-CD1 4.32Å; F389-L518 HydrophobicContact CD2-CD1 3.83Å; F389-L518 HydrophobicContact CG-CD1 4.42Å; V514-L518 HydrophobicContact CG1-CD1 3.84Å; V514-L518 HydrophobicContact CG1-CG 4.27Å; V514-L518 WeakPolarHBondContact O-CG 3.27Å; V514-L518 PolarHBondContact O-N 3.13Å; S515-L518 PolarHBondContact O-N 3.45Å; L518-L521 PolarHBondContact O-N 3.1Å; L518-G522 PolarHBondContact O-N 2.7Å
519F98.2Very high95.5Very high1 Ų129.3 Ų29.30%0.00415%0.153CC..Hα-helixtrans-59-47.8171.7-178.8-82.4000111.4L364 T367 Y368 I372 F386 S515 C516 G522 S523 C563L364-F519 HydrophobicContact CB-CD2 4.06Å; L364-F519 HydrophobicContact CB-CE2 4.18Å; L364-F519 HydrophobicContact CD2-CD1 4.21Å; L364-F519 HydrophobicContact CD2-CD2 4.29Å; L364-F519 HydrophobicContact CD2-CE1 3.92Å; L364-F519 HydrophobicContact CD2-CE2 4Å; L364-F519 HydrophobicContact CD2-CG 4.42Å; L364-F519 HydrophobicContact CD2-CZ 3.83Å; L364-F519 VanDerWaalsContact O-CE2 3.31Å; L364-F519 WeakPolarHBondContact O-CE2 3.29Å; T367-F519 HydrophobicContact CG2-CE2 4.21Å; T367-F519 HydrophobicContact CG2-CZ 4.1Å; Y368-F519 HydrophobicContact CD2-CB 4.43Å; Y368-F519 AromaticContact CD2-CD2 3.82Å; Y368-F519 HydrophobicContact CD2-CD2 3.82Å; Y368-F519 HydrophobicContact CD2-CE2 4.41Å; Y368-F519 HydrophobicContact CD2-CG 4.42Å; Y368-F519 HydrophobicContact CG-CD2 4.35Å; I372-F519 HydrophobicContact CD1-CD2 4.43Å; I372-F519 HydrophobicContact CD1-CE2 3.93Å; I372-F519 HydrophobicContact CD1-CZ 3.98Å; F386-F519 HydrophobicContact CE2-CB 4.12Å; F386-F519 HydrophobicContact CE2-CD2 4.5Å; S515-F519 WeakPolarHBondContact O-CB 3.42Å; S515-F519 PolarHBondContact O-N 2.84Å; C516-F519 WeakPolarHBondContact O-CB 3.47Å; C516-F519 PolarHBondContact O-N 3.11Å; F519-G522 PolarHBondContact O-N 3.19Å; F519-S523 VanDerWaalsContact CE1-OG 3.3Å; F519-S523 WeakPolarHBondContact CE1-OG 3.33Å; F519-S523 PolarHBondContact O-N 2.95Å; F519-S523 PolarHBondContact O-OG 2.92Å; F519-C563 HydrophobicContact CE1-CB 3.84Å; F519-C563 HydrophobicContact CZ-CB 3.51Å
520M96.5Very high94.8Very high39 Ų3931.5 Ų31.519%0.19216%0.163CC..Hα-helixtrans-62-44.3178.6-72.8174.764.200111.6C516 N517 G522 S523 I524 F564 A568C516-M520 WeakPolarHBondContact O-CG 3.49Å; C516-M520 PolarHBondContact O-N 3.17Å; N517-M520 PolarHBondContact O-N 3.38Å; M520-G522 VanDerWaalsContact C-N 3.34Å; M520-G522 PolarHBondContact O-N 3.36Å; M520-S523 WeakPolarHBondContact O-CB 3.41Å; M520-S523 PolarHBondContact O-N 3.2Å; M520-I524 WeakPolarHBondContact O-CG1 3.22Å; M520-I524 PolarHBondContact O-N 3.27Å; M520-F564 HydrophobicContact CB-CD2 4.02Å; M520-F564 HydrophobicContact CB-CE2 3.65Å; M520-F564 HydrophobicContact CB-CZ 4.48Å; M520-F564 HydrophobicContact CE-CE1 4.2Å; M520-F564 HydrophobicContact CE-CE2 3.88Å; M520-F564 HydrophobicContact CE-CZ 3.59Å; M520-F564 HydrophobicContact CG-CD2 3.91Å; M520-F564 HydrophobicContact CG-CE2 3.81Å; M520-F564 HydrophobicContact CG-CZ 4.42Å; M520-A568 HydrophobicContact CE-CB 3.86Å; M520-A568 VanDerWaalsContact SD-CA 3.54Å; M520-A568 HydrophobicContact SD-CB 3.82Å
521L96.6Very high93.7Very high87 Ų8736.4 Ų36.446%0.45518%0.182SC..Hα-helixtrans-61-43174.9-178.857.3000111.6L382 N517 L518 S523 I524 V525L382-L521 HydrophobicContact CD1-CB 4.37Å; L382-L521 HydrophobicContact CD1-CD2 3.62Å; L382-L521 HydrophobicContact CD1-CG 3.97Å; L382-L521 HydrophobicContact CD2-CG 4.32Å; N517-L521 WeakPolarHBondContact O-CB 3.48Å; N517-L521 PolarHBondContact O-N 3.29Å; L518-L521 PolarHBondContact O-N 3.1Å; L521-S523 VanDerWaalsContact C-N 3.3Å; L521-S523 PolarHBondContact O-N 3.14Å; L521-I524 PolarHBondContact O-N 3.45Å; L521-V525 WeakPolarHBondContact O-CG2 3.42Å; L521-V525 PolarHBondContact O-N 3.16Å
522G96.6Very high92.5Very high0 Ų039.1 Ų39.10%020%0.201CC..Hα-helixtrans-61.9-35.7174.300000113.4I372 L518 F519 M520 V525 Y526I372-G522 WeakPolarHBondContact CG2-O 3.35Å; L518-G522 PolarHBondContact O-N 2.7Å; F519-G522 PolarHBondContact O-N 3.19Å; M520-G522 VanDerWaalsContact C-N 3.34Å; M520-G522 PolarHBondContact O-N 3.36Å; G522-V525 PolarHBondContact O-N 2.96Å; G522-Y526 WeakPolarHBondContact O-CB 3.36Å; G522-Y526 PolarHBondContact O-N 3.29Å
523S95.1Very high91.3Very high0 Ų039 Ų390%020%0.201CC..Hα-helixtrans-66.8-39.1175.1-54.30000111.8F519 M520 L521 Y526 W527F519-S523 VanDerWaalsContact CE1-OG 3.3Å; F519-S523 WeakPolarHBondContact CE1-OG 3.33Å; F519-S523 PolarHBondContact O-N 2.95Å; F519-S523 PolarHBondContact O-OG 2.92Å; M520-S523 WeakPolarHBondContact O-CB 3.41Å; M520-S523 PolarHBondContact O-N 3.2Å; L521-S523 VanDerWaalsContact C-N 3.3Å; L521-S523 PolarHBondContact O-N 3.14Å; S523-Y526 WeakPolarHBondContact O-CB 3.33Å; S523-Y526 PolarHBondContact O-N 3.4Å; S523-W527 VanDerWaalsContact O-CD2 3.26Å; S523-W527 PolarHBondContact O-N 3.34Å
524I92.9Very high89.9Confident61 Ų6142.3 Ų42.331%0.31322%0.217SC..Hα-helixtrans-64.2-45.3175.2-65.8165.1000110.7M520 L521 Y526 W527 Q528 F564M520-I524 WeakPolarHBondContact O-CG1 3.22Å; M520-I524 PolarHBondContact O-N 3.27Å; L521-I524 PolarHBondContact O-N 3.45Å; I524-Y526 VanDerWaalsContact C-N 3.31Å; I524-Y526 PolarHBondContact O-N 3.04Å; I524-W527 HydrophobicContact CG1-CE3 4.38Å; I524-W527 HydrophobicContact CG1-CZ3 4.29Å; I524-W527 PolarHBondContact O-N 2.99Å; I524-Q528 WeakPolarHBondContact O-CG 3.32Å; I524-Q528 PolarHBondContact O-N 2.7Å; I524-Q528 VanDerWaalsContact O-N 3.1Å; I524-F564 HydrophobicContact CD1-CE2 4.43Å; I524-F564 HydrophobicContact CG1-CE2 4.24Å
525V93.6Very high88.2Confident9 Ų942.6 Ų42.66%0.05522%0.22CC..Hα-helixtrans-62.5-39.6176.11730000111.4T376 Y379 L382 L521 G522 Q528 N529T376-V525 HydrophobicContact CG2-CG1 3.93Å; Y379-V525 HydrophobicContact CD1-CG1 3.72Å; Y379-V525 HydrophobicContact CD1-CG2 4.15Å; Y379-V525 HydrophobicContact CD2-CG1 3.52Å; Y379-V525 HydrophobicContact CE1-CG1 3.65Å; Y379-V525 HydrophobicContact CE1-CG2 4.05Å; Y379-V525 HydrophobicContact CE2-CG1 3.5Å; Y379-V525 HydrophobicContact CG-CG1 3.64Å; L382-V525 HydrophobicContact CD2-CG2 4.23Å; L521-V525 WeakPolarHBondContact O-CG2 3.42Å; L521-V525 PolarHBondContact O-N 3.16Å; G522-V525 PolarHBondContact O-N 2.96Å; V525-Q528 PolarHBondContact O-N 2.8Å; V525-N529 PolarHBondContact O-N 3.47Å; V525-N529 VanDerWaalsContact O-N 3.1Å; V525-N529 PolarHBondContact O-ND2 2.72Å
526Y93.8Very high86.3Confident10 Ų1047.3 Ų47.34%0.03925%0.245CC..Hα-helixtrans-57.1-50.6174.2168.6-97000111.5H371 H375 G522 S523 I524 Q528 N529 E530 N557 I560H371-Y526 AromaticContact CE1-CE2 3.8Å; H371-Y526 AromaticContact CE1-CZ 3.88Å; H375-Y526 HydrophobicContact CB-CD2 3.79Å; H375-Y526 HydrophobicContact CB-CE2 3.86Å; H375-Y526 AromaticContact CD2-CE2 3.98Å; H375-Y526 AromaticContact CG-CE2 3.84Å; G522-Y526 WeakPolarHBondContact O-CB 3.36Å; G522-Y526 PolarHBondContact O-N 3.29Å; S523-Y526 WeakPolarHBondContact O-CB 3.33Å; S523-Y526 PolarHBondContact O-N 3.4Å; I524-Y526 VanDerWaalsContact C-N 3.31Å; I524-Y526 PolarHBondContact O-N 3.04Å; Y526-Q528 VanDerWaalsContact C-N 3.29Å; Y526-Q528 PolarHBondContact O-N 2.81Å; Y526-N529 PolarHBondContact O-N 2.89Å; Y526-E530 HydrophobicContact CD2-CG 4.47Å; Y526-E530 HydrophobicContact CE1-CG 4.5Å; Y526-E530 HydrophobicContact CE2-CG 3.81Å; Y526-E530 PolarHBondContact O-N 3.3Å; Y526-N557 HydrophobicContact CE1-CB 3.95Å; Y526-N557 PolarHBondContact OH-ND2 3.38Å; Y526-I560 HydrophobicContact CD1-CG1 4.24Å; Y526-I560 HydrophobicContact CD1-CG2 4.11Å; Y526-I560 HydrophobicContact CE1-CB 4.41Å; Y526-I560 HydrophobicContact CE1-CG1 3.92Å; Y526-I560 HydrophobicContact CE1-CG2 4.48Å
527W91.1Very high84.2Confident10 Ų1048 Ų484%0.03825%0.249CC..Hα-helixtrans-64.8-30.1179.5-66.1-44000114.1S523 I524 C533 Y553 I560 F564S523-W527 VanDerWaalsContact O-CD2 3.26Å; S523-W527 PolarHBondContact O-N 3.34Å; I524-W527 HydrophobicContact CG1-CE3 4.38Å; I524-W527 HydrophobicContact CG1-CZ3 4.29Å; I524-W527 PolarHBondContact O-N 2.99Å; W527-C533 WeakPolarHBondContact O-CB 3.37Å; W527-Y553 HydrophobicContact CB-CD1 3.75Å; W527-Y553 HydrophobicContact CB-CD2 4.22Å; W527-Y553 HydrophobicContact CB-CE1 4.14Å; W527-Y553 HydrophobicContact CB-CG 3.79Å; W527-Y553 HydrophobicContact CD2-CG 4.26Å; W527-Y553 HydrophobicContact CE3-CD2 4.24Å; W527-Y553 HydrophobicContact CE3-CG 4.3Å; W527-Y553 HydrophobicContact CG-CD1 4.34Å; W527-Y553 HydrophobicContact CG-CG 4.07Å; W527-Y553 PolarHBondContact NE1-O 2.87Å; W527-I560 HydrophobicContact CZ2-CG2 3.94Å; W527-F564 HydrophobicContact CH2-CB 3.97Å; W527-F564 HydrophobicContact CH2-CD1 4.16Å; W527-F564 AromaticContact CH2-CD2 3.82Å; W527-F564 HydrophobicContact CH2-CD2 3.82Å; W527-F564 HydrophobicContact CH2-CE2 4.32Å; W527-F564 AromaticContact CH2-CG 3.72Å; W527-F564 HydrophobicContact CH2-CG 3.72Å; W527-F564 HydrophobicContact CZ3-CD2 4.06Å; W527-F564 HydrophobicContact CZ3-CE2 4.14Å; W527-F564 HydrophobicContact CZ3-CG 4.36Å
528Q87.3Confident82.1Confident100 Ų10048.8 Ų48.847%0.46726%0.261SS..Hα-helixtrans-73.2-32.9176.7-73.1175.7-11.500112.9I524 V525 Y526I524-Q528 WeakPolarHBondContact O-CG 3.32Å; I524-Q528 PolarHBondContact O-N 2.7Å; I524-Q528 VanDerWaalsContact O-N 3.1Å; V525-Q528 PolarHBondContact O-N 2.8Å; Y526-Q528 VanDerWaalsContact C-N 3.29Å; Y526-Q528 PolarHBondContact O-N 2.81Å
529N86.6Confident79.9Confident72 Ų7255.1 Ų55.139%0.38529%0.294SS..Hα-helixtrans-89.2-26.5-177.5-68.8-17.2000113.3Y379 V525 Y526 F531Y379-N529 WeakPolarHBondContact CE2-ND2 3.32Å; V525-N529 PolarHBondContact O-N 3.47Å; V525-N529 VanDerWaalsContact O-N 3.1Å; V525-N529 PolarHBondContact O-ND2 2.72Å; Y526-N529 PolarHBondContact O-N 2.89Å; N529-F531 PolarHBondContact O-N 2.92Å
530E84Confident77.6Confident51 Ų5159.2 Ų59.224%0.23832%0.319CS..  trans-71.9113.6177.9-107.1-65.2164.600111.4H375 Y526 S532 C533 L534H375-E530 IonicContact CD2-OE1 3.49Å; Y526-E530 HydrophobicContact CD2-CG 4.47Å; Y526-E530 HydrophobicContact CE1-CG 4.5Å; Y526-E530 HydrophobicContact CE2-CG 3.81Å; Y526-E530 PolarHBondContact O-N 3.3Å; E530-S532 PolarHBondContact O-N 3.17Å; E530-S532 WeakPolarHBondContact OE2-CB 3.39Å; E530-S532 PolarHBondContact OE2-N 3.07Å; E530-S532 PolarHBondContact OE2-OG 3.28Å; E530-C533 HydrophobicContact CB-CB 4.33Å; E530-C533 VanDerWaalsContact CB-SG 3.57Å; E530-C533 WeakPolarHBondContact O-CB 3.11Å; E530-C533 PolarHBondContact O-N 3.35Å; E530-C533 VanDerWaalsContact O-N 3.08Å; E530-L534 PolarHBondContact O-N 3.04Å
531F74.4Confident75.3Confident162 Ų16263 Ų6371%0.71135%0.35SS*.Hα-helixtrans-58.5-35.1178.1-179-97.3000111.8N529 C533 L534 S535N529-F531 PolarHBondContact O-N 2.92Å; F531-C533 VanDerWaalsContact C-N 3.26Å; F531-C533 PolarHBondContact O-N 3.42Å; F531-L534 PolarHBondContact O-N 3.3Å; F531-S535 PolarHBondContact O-N 3.17Å
532S72.9Confident73.6Confident57 Ų5762.7 Ų62.740%0.39937%0.367SS..Hα-helixtrans-57.3-39.9177.258.70000112.1E530 S535E530-S532 PolarHBondContact O-N 3.17Å; E530-S532 WeakPolarHBondContact OE2-CB 3.39Å; E530-S532 PolarHBondContact OE2-N 3.07Å; E530-S532 PolarHBondContact OE2-OG 3.28Å; S532-S535 PolarHBondContact O-OG 3.27Å
533C72.3Confident71.6Confident0 Ų072.3 Ų72.30%041%0.409CS..Hα-helixtrans-72.9-37.2178.9-53.10000112.5W527 E530 F531 Y553 C556W527-C533 WeakPolarHBondContact O-CB 3.37Å; E530-C533 HydrophobicContact CB-CB 4.33Å; E530-C533 VanDerWaalsContact CB-SG 3.57Å; E530-C533 WeakPolarHBondContact O-CB 3.11Å; E530-C533 PolarHBondContact O-N 3.35Å; E530-C533 VanDerWaalsContact O-N 3.08Å; F531-C533 VanDerWaalsContact C-N 3.26Å; F531-C533 PolarHBondContact O-N 3.42Å; C533-Y553 HydrophobicContact CB-CD1 4.41Å; C533-C556 WeakPolarHBondContact CA-SG 3.31Å; C533-C556 HydrophobicContact CB-CB 3.66Å; C533-C556 WeakPolarHBondContact CB-SG 3.14Å; C533-C556 PolarHBondContact N-SG 3.1Å; C533-C556 VanDerWaalsContact N-SG 3.39Å; C533-C556 WeakPolarHBondContact SG-CB 3.44Å; C533-C556 CovalentContact SG-SG 2.03Å; C533-C556 PolarHBondContact SG-SG 3.11Å
534L67Low70Confident79 Ų7975.6 Ų75.641%0.41443%0.429SS..Hα-helixtrans-75.8-33.2-176.5-167.164.8000112.6E530 F531 N536 T537 S538E530-L534 PolarHBondContact O-N 3.04Å; F531-L534 PolarHBondContact O-N 3.3Å; L534-N536 PolarHBondContact O-N 3.22Å; L534-T537 PolarHBondContact O-N 2.87Å; L534-T537 PolarHBondContact O-OG1 3.04Å; L534-S538 PolarHBondContact O-N 3.17Å
535S62.8Low69.3Low44 Ų4477.3 Ų77.331%0.30844%0.439SS..Hα-helixtrans-57.5-31.7-17770.50000114.5F531 S532 T537 S538F531-S535 PolarHBondContact O-N 3.17Å; S532-S535 PolarHBondContact O-OG 3.27Å; S535-T537 VanDerWaalsContact C-N 3.29Å; S535-T537 PolarHBondContact O-N 2.89Å; S535-S538 PolarHBondContact O-OG 3.44Å
536N57Low68.7Low104 Ų10482.9 Ų82.956%0.55647%0.468SS*.Hα-helixtrans-72.1-21.4177.2-76.6-21.3000113.3L534L534-N536 PolarHBondContact O-N 3.22Å
537T54.6Low68.2Low19 Ų1987.9 Ų87.912%0.11750%0.495CS..Hα-helixtrans-89.2-28.2-178.560.70000113.3L534 S535 T540 T544L534-T537 PolarHBondContact O-N 2.87Å; L534-T537 PolarHBondContact O-OG1 3.04Å; S535-T537 VanDerWaalsContact C-N 3.29Å; S535-T537 PolarHBondContact O-N 2.89Å; T537-T540 PolarHBondContact O-OG1 3.16Å; T537-T544 WeakPolarHBondContact O-CG2 3.18Å
538S53Low67.7Low93 Ų9390.4 Ų90.465%0.6551%0.511SS*.Hα-helixtrans-82.2-20-174.861.30000114.2L534 S535 T540L534-S538 PolarHBondContact O-N 3.17Å; S535-S538 PolarHBondContact O-OG 3.44Å; S538-T540 VanDerWaalsContact C-N 3.33Å
539L52.2Low67.4Low160 Ų16087 Ų8784%0.83850%0.497SS*.SBendtrans-77.4-17.5179.4-143.283000113.2
540T49.2Very low67.2Low86 Ų8687.1 Ų87.153%0.52850%0.497SS..SBendtrans-95.799.2174.853.30000110.5T537 S538 G542T537-T540 PolarHBondContact O-OG1 3.16Å; S538-T540 VanDerWaalsContact C-N 3.33Å; T540-G542 PolarHBondContact O-N 2.9Å
541S48.2Very low67.2Low119 Ų11992.3 Ų92.383%0.83252%0.515SS*.  trans-40.5125174.154.80000115.2
542G60.3Low67.5Low80 Ų8085.5 Ų85.583%0.82549%0.487SS*.SBendtrans106.6-34.2137.400000119T540T540-G542 PolarHBondContact O-N 2.9Å
543K54.8Low68.1Low203 Ų20384.7 Ų84.788%0.88348%0.476SS*.  trans-166.394.6174.6-98.8171.5-171.5178.90107.5D545K543-D545 PolarHBondContact O-N 3.14Å
544T61.3Low68.7Low68 Ų6887.2 Ų87.242%0.41749%0.489SS..  trans-70.9114.1171.841.50000108.2T537T537-T544 WeakPolarHBondContact O-CG2 3.18Å
545D78.2Confident69.5Low97 Ų9787.1 Ų87.152%0.51949%0.488SS..  trans-59.9142.2170.8178.519.9000108.9K543 L547 T548 T549K543-D545 PolarHBondContact O-N 3.14Å; D545-L547 PolarHBondContact O-N 3.45Å; D545-L547 VanDerWaalsContact O-N 3.11Å; D545-T548 HydrophobicContact CB-CG2 4.18Å; D545-T548 PolarHBondContact N-OG1 2.7Å; D545-T548 PolarHBondContact O-N 2.95Å; D545-T548 PolarHBondContact O-OG1 3.1Å; D545-T549 PolarHBondContact O-N 2.98Å
546L81.9Confident70.6Confident127 Ų12786.8 Ų86.867%0.66549%0.485SS*.Hα-helixtrans-50.6-39.9179.4175.363.7000110.9T548 T549 I550L546-T548 VanDerWaalsContact C-N 3.35Å; L546-T548 PolarHBondContact O-N 2.89Å; L546-T549 PolarHBondContact O-N 2.75Å; L546-I550 HydrophobicContact CD1-CD1 4.08Å; L546-I550 HydrophobicContact CD1-CG1 4.39Å; L546-I550 HydrophobicContact CG-CD1 3.85Å; L546-I550 VanDerWaalsContact O-CG1 3.3Å; L546-I550 WeakPolarHBondContact O-CG1 3.36Å; L546-I550 PolarHBondContact O-N 2.89Å
547L82.5Confident72.2Confident115 Ų11582.8 Ų82.860%0.60246%0.464SS*.Hα-helixtrans-62.6-39.4178.8-172.963.4000112.6D545 I550 W551D545-L547 PolarHBondContact O-N 3.45Å; D545-L547 VanDerWaalsContact O-N 3.11Å; L547-I550 PolarHBondContact O-N 2.93Å; L547-W551 VanDerWaalsContact O-CB 3.32Å; L547-W551 WeakPolarHBondContact O-CB 3.3Å; L547-W551 PolarHBondContact O-N 3.15Å
548T80.6Confident74Confident63 Ų6383.6 Ų83.639%0.38747%0.469SS..Hα-helixtrans-68.5-37.6179.162.10000112.2D545 L546 W551 S552D545-T548 HydrophobicContact CB-CG2 4.18Å; D545-T548 PolarHBondContact N-OG1 2.7Å; D545-T548 PolarHBondContact O-N 2.95Å; D545-T548 PolarHBondContact O-OG1 3.1Å; L546-T548 VanDerWaalsContact C-N 3.35Å; L546-T548 PolarHBondContact O-N 2.89Å; T548-W551 PolarHBondContact O-N 3.33Å; T548-S552 WeakPolarHBondContact O-CB 3.17Å; T548-S552 PolarHBondContact O-N 3.35Å; T548-S552 PolarHBondContact O-OG 3.45Å
549T81Confident75.9Confident27 Ų2781.4 Ų81.417%0.16645%0.447CS..Hα-helixtrans-64.2-47.7173.6-560000110.9D545 L546 W551 S552 Y553D545-T549 PolarHBondContact O-N 2.98Å; L546-T549 PolarHBondContact O-N 2.75Å; T549-W551 VanDerWaalsContact C-N 3.35Å; T549-W551 PolarHBondContact O-N 3.32Å; T549-S552 WeakPolarHBondContact O-CB 3.38Å; T549-S552 PolarHBondContact O-N 3.44Å; T549-Y553 HydrophobicContact CG2-CD2 4.37Å; T549-Y553 HydrophobicContact CG2-CE1 4.22Å; T549-Y553 HydrophobicContact CG2-CE2 3.73Å; T549-Y553 PolarHBondContact O-N 3.15Å
550I83.8Confident78Confident75 Ų7573.8 Ų73.839%0.38541%0.407SS..Hα-helixtrans-59.3-47.7176.9-68.1166.4000110.4L546 L547 S552 Y553 L554L546-I550 HydrophobicContact CD1-CD1 4.08Å; L546-I550 HydrophobicContact CD1-CG1 4.39Å; L546-I550 HydrophobicContact CG-CD1 3.85Å; L546-I550 VanDerWaalsContact O-CG1 3.3Å; L546-I550 WeakPolarHBondContact O-CG1 3.36Å; L546-I550 PolarHBondContact O-N 2.89Å; L547-I550 PolarHBondContact O-N 2.93Å; I550-S552 VanDerWaalsContact C-N 3.27Å; I550-S552 PolarHBondContact O-N 3.01Å; I550-Y553 PolarHBondContact O-N 3.48Å; I550-L554 HydrophobicContact CG2-CD1 3.88Å; I550-L554 HydrophobicContact CG2-CG 4.27Å; I550-L554 VanDerWaalsContact O-CG 3.3Å; I550-L554 WeakPolarHBondContact O-CG 3.29Å; I550-L554 PolarHBondContact O-N 2.9Å
551W83.2Confident80.1Confident161 Ų16170.3 Ų70.361%0.6139%0.386SS*.Hα-helixtrans-59.3-39178.8-168.5-101.3000112.3L547 T548 T549 L554 L555L547-W551 VanDerWaalsContact O-CB 3.32Å; L547-W551 WeakPolarHBondContact O-CB 3.3Å; L547-W551 PolarHBondContact O-N 3.15Å; T548-W551 PolarHBondContact O-N 3.33Å; T549-W551 VanDerWaalsContact C-N 3.35Å; T549-W551 PolarHBondContact O-N 3.32Å; W551-L554 PolarHBondContact O-N 3.28Å; W551-L555 VanDerWaalsContact NE1-CD1 3.28Å; W551-L555 WeakPolarHBondContact O-CG 3.07Å; W551-L555 PolarHBondContact O-N 2.85Å; W551-L555 VanDerWaalsContact O-N 3.14Å
552S81.7Confident82.3Confident19 Ų1965.9 Ų65.913%0.13335%0.352CS..Hα-helixtrans-65.1-42.1177.6-58.30000112T548 T549 I550 L555 C556T548-S552 WeakPolarHBondContact O-CB 3.17Å; T548-S552 PolarHBondContact O-N 3.35Å; T548-S552 PolarHBondContact O-OG 3.45Å; T549-S552 WeakPolarHBondContact O-CB 3.38Å; T549-S552 PolarHBondContact O-N 3.44Å; I550-S552 VanDerWaalsContact C-N 3.27Å; I550-S552 PolarHBondContact O-N 3.01Å; S552-L555 PolarHBondContact O-N 3.42Å; S552-C556 WeakPolarHBondContact O-CB 3.48Å; S552-C556 PolarHBondContact O-N 3.43Å
553Y85Confident84.1Confident40 Ų4062.1 Ų62.116%0.15731%0.313CS..Hα-helixtrans-63.4-44.7174.6-65.8-16.8000112.2W527 C533 T549 I550 L555 C556W527-Y553 HydrophobicContact CB-CD1 3.75Å; W527-Y553 HydrophobicContact CB-CD2 4.22Å; W527-Y553 HydrophobicContact CB-CE1 4.14Å; W527-Y553 HydrophobicContact CB-CG 3.79Å; W527-Y553 HydrophobicContact CD2-CG 4.26Å; W527-Y553 HydrophobicContact CE3-CD2 4.24Å; W527-Y553 HydrophobicContact CE3-CG 4.3Å; W527-Y553 HydrophobicContact CG-CD1 4.34Å; W527-Y553 HydrophobicContact CG-CG 4.07Å; W527-Y553 PolarHBondContact NE1-O 2.87Å; C533-Y553 HydrophobicContact CB-CD1 4.41Å; T549-Y553 HydrophobicContact CG2-CD2 4.37Å; T549-Y553 HydrophobicContact CG2-CE1 4.22Å; T549-Y553 HydrophobicContact CG2-CE2 3.73Å; T549-Y553 PolarHBondContact O-N 3.15Å; I550-Y553 PolarHBondContact O-N 3.48Å; Y553-L555 VanDerWaalsContact C-N 3.25Å; Y553-L555 PolarHBondContact O-N 2.84Å; Y553-C556 PolarHBondContact O-N 3.45Å
554L84.2Confident86.1Confident53 Ų5354.2 Ų54.228%0.27728%0.278SS..Hα-helixtrans-61.6-33.7-179.7-67.8173.7000112.6I550 W551 T561I550-L554 HydrophobicContact CG2-CD1 3.88Å; I550-L554 HydrophobicContact CG2-CG 4.27Å; I550-L554 VanDerWaalsContact O-CG 3.3Å; I550-L554 WeakPolarHBondContact O-CG 3.29Å; I550-L554 PolarHBondContact O-N 2.9Å; W551-L554 PolarHBondContact O-N 3.28Å; L554-T561 VanDerWaalsContact CA-OG1 3.32Å; L554-T561 WeakPolarHBondContact CA-OG1 3.17Å; L554-T561 HydrophobicContact CB-CG2 4.09Å; L554-T561 HydrophobicContact CD2-CG2 3.43Å; L554-T561 VanDerWaalsContact CD2-CG2 3.43Å; L554-T561 HydrophobicContact CG-CG2 4.35Å; L554-T561 WeakPolarHBondContact O-CB 3.44Å; L554-T561 PolarHBondContact O-OG1 3.48Å
555L84.1Confident87.7Confident77 Ų7754.6 Ų54.640%0.40328%0.277SS..Hα-helixtrans-86.2-23.3179.3-69.6-178.3000114.3W551 S552 Y553W551-L555 VanDerWaalsContact NE1-CD1 3.28Å; W551-L555 WeakPolarHBondContact O-CG 3.07Å; W551-L555 PolarHBondContact O-N 2.85Å; W551-L555 VanDerWaalsContact O-N 3.14Å; S552-L555 PolarHBondContact O-N 3.42Å; Y553-L555 VanDerWaalsContact C-N 3.25Å; Y553-L555 PolarHBondContact O-N 2.84Å
556C85.6Confident88.5Confident36 Ų3651.7 Ų51.724%0.24326%0.261CS..Hα-helixtrans-59.5-52.3-174-179.60000112.6C533 S552 Y553C533-C556 WeakPolarHBondContact CA-SG 3.31Å; C533-C556 HydrophobicContact CB-CB 3.66Å; C533-C556 WeakPolarHBondContact CB-SG 3.14Å; C533-C556 PolarHBondContact N-SG 3.1Å; C533-C556 VanDerWaalsContact N-SG 3.39Å; C533-C556 WeakPolarHBondContact SG-CB 3.44Å; C533-C556 CovalentContact SG-SG 2.03Å; C533-C556 PolarHBondContact SG-SG 3.11Å; S552-C556 WeakPolarHBondContact O-CB 3.48Å; S552-C556 PolarHBondContact O-N 3.43Å; Y553-C556 PolarHBondContact O-N 3.45Å
557N91Very high89.2Confident21 Ų2145.6 Ų45.611%0.11223%0.23CC..  trans-131.595.4175.7-172.7-38.5000109.4H371 Y526 W559 I560 T561H371-N557 PolarHBondContact NE2-ND2 3.23Å; H371-N557 VanDerWaalsContact NE2-ND2 3.18Å; Y526-N557 HydrophobicContact CE1-CB 3.95Å; Y526-N557 PolarHBondContact OH-ND2 3.38Å; N557-W559 PolarHBondContact O-N 2.97Å; N557-W559 WeakPolarHBondContact OD1-CB 3.28Å; N557-W559 PolarHBondContact OD1-N 2.78Å; N557-I560 HydrophobicContact CB-CB 4.16Å; N557-I560 HydrophobicContact CB-CG1 4.12Å; N557-I560 PolarHBondContact O-N 3.44Å; N557-I560 PolarHBondContact OD1-N 3Å; N557-I560 VanDerWaalsContact OD1-N 3.09Å; N557-T561 PolarHBondContact O-N 2.87Å; N557-T561 PolarHBondContact O-OG1 2.97Å
558P91.4Very high89.8Confident35 Ų3541.7 Ų41.723%0.22721%0.214CC..Hα-helixtrans-60.7-28.3-176.2-25.435000114.1I296 F562I296-P558 HydrophobicContact CG2-CB 3.47Å; I296-P558 VanDerWaalsContact CG2-CB 3.47Å; P558-F562 WeakPolarHBondContact O-CB 3.4Å; P558-F562 PolarHBondContact O-N 3.07Å
559W94.4Very high90.5Very high47 Ų4745.9 Ų45.918%0.17823%0.227CC..Hα-helixtrans-67.2-49.1174.4175.4-86.9000111.8N297 L363 T367 N557 T561 F562 C563N297-W559 HydrophobicContact CB-CB 4.46Å; L363-W559 HydrophobicContact CD1-CH2 3.66Å; L363-W559 HydrophobicContact CD1-CZ2 3.38Å; T367-W559 PolarHBondContact OG1-NE1 3.28Å; N557-W559 PolarHBondContact O-N 2.97Å; N557-W559 WeakPolarHBondContact OD1-CB 3.28Å; N557-W559 PolarHBondContact OD1-N 2.78Å; W559-T561 VanDerWaalsContact C-N 3.28Å; W559-T561 PolarHBondContact O-N 2.83Å; W559-F562 WeakPolarHBondContact O-CB 3.33Å; W559-F562 PolarHBondContact O-N 3.41Å; W559-C563 PolarHBondContact O-N 3.08Å
560I94.9Very high91.1Very high0 Ų045.6 Ų45.60%022%0.223CC..Hα-helixtrans-62.3-40176.9-62.9-63.4000110.3T367 I372 Y526 W527 N557 C563 F564T367-I560 HydrophobicContact CG2-CD1 3.48Å; T367-I560 VanDerWaalsContact CG2-CD1 3.48Å; I372-I560 HydrophobicContact CG1-CD1 4.12Å; Y526-I560 HydrophobicContact CD1-CG1 4.24Å; Y526-I560 HydrophobicContact CD1-CG2 4.11Å; Y526-I560 HydrophobicContact CE1-CB 4.41Å; Y526-I560 HydrophobicContact CE1-CG1 3.92Å; Y526-I560 HydrophobicContact CE1-CG2 4.48Å; W527-I560 HydrophobicContact CZ2-CG2 3.94Å; N557-I560 HydrophobicContact CB-CB 4.16Å; N557-I560 HydrophobicContact CB-CG1 4.12Å; N557-I560 PolarHBondContact O-N 3.44Å; N557-I560 PolarHBondContact OD1-N 3Å; N557-I560 VanDerWaalsContact OD1-N 3.09Å; I560-C563 PolarHBondContact O-N 3.38Å; I560-F564 VanDerWaalsContact O-CB 3.3Å; I560-F564 WeakPolarHBondContact O-CB 3.18Å; I560-F564 PolarHBondContact O-N 3.17Å
561T93.9Very high91.7Very high14 Ų1442.4 Ų42.49%0.08621%0.208CC..Hα-helixtrans-59.9-45.5173.4-61.50000112.5L554 N557 W559 C563 F564 I565L554-T561 VanDerWaalsContact CA-OG1 3.32Å; L554-T561 WeakPolarHBondContact CA-OG1 3.17Å; L554-T561 HydrophobicContact CB-CG2 4.09Å; L554-T561 HydrophobicContact CD2-CG2 3.43Å; L554-T561 VanDerWaalsContact CD2-CG2 3.43Å; L554-T561 HydrophobicContact CG-CG2 4.35Å; L554-T561 WeakPolarHBondContact O-CB 3.44Å; L554-T561 PolarHBondContact O-OG1 3.48Å; N557-T561 PolarHBondContact O-N 2.87Å; N557-T561 PolarHBondContact O-OG1 2.97Å; W559-T561 VanDerWaalsContact C-N 3.28Å; W559-T561 PolarHBondContact O-N 2.83Å; T561-C563 PolarHBondContact O-N 3.11Å; T561-F564 PolarHBondContact O-N 3.07Å; T561-I565 HydrophobicContact CG2-CD1 3.98Å; T561-I565 WeakPolarHBondContact O-CG1 3.11Å; T561-I565 PolarHBondContact O-N 3.36Å
562F95.4Very high92.3Very high26 Ų2641.2 Ų41.211%0.11421%0.207CC..Hα-helixtrans-59.2-46.1175.5170.7-106.2000111.6L289 C292 I296 L363 P558 W559 I565 N566L289-F562 HydrophobicContact CD2-CZ 4.02Å; L289-F562 WeakPolarHBondContact O-CE1 3.47Å; C292-F562 HydrophobicContact CB-CE2 4Å; C292-F562 HydrophobicContact CB-CZ 3.94Å; I296-F562 HydrophobicContact CD1-CB 4.43Å; I296-F562 HydrophobicContact CD1-CD2 3.77Å; I296-F562 HydrophobicContact CD1-CE2 4.42Å; I296-F562 HydrophobicContact CD1-CG 4.34Å; L363-F562 HydrophobicContact CD2-CE1 3.89Å; P558-F562 WeakPolarHBondContact O-CB 3.4Å; P558-F562 PolarHBondContact O-N 3.07Å; W559-F562 WeakPolarHBondContact O-CB 3.33Å; W559-F562 PolarHBondContact O-N 3.41Å; F562-I565 PolarHBondContact O-N 3.46Å; F562-N566 VanDerWaalsContact CE2-ND2 3.32Å; F562-N566 WeakPolarHBondContact CE2-ND2 3.42Å; F562-N566 WeakPolarHBondContact CZ-ND2 3.33Å; F562-N566 PolarHBondContact O-N 2.91Å; F562-N566 VanDerWaalsContact O-N 3.12Å; F562-N566 PolarHBondContact O-ND2 3.34Å
563C96.9Very high92.8Very high0 Ų046.1 Ų46.10%022%0.223CC..Hα-helixtrans-65.5-39.5176.1-70.40000112.3L364 T367 F519 W559 I560 T561 I565 N566 G567L364-C563 HydrophobicContact CD2-CB 3.77Å; L364-C563 VanDerWaalsContact CD2-O 3.31Å; L364-C563 WeakPolarHBondContact CD2-O 3.29Å; T367-C563 HydrophobicContact CG2-CB 4.43Å; F519-C563 HydrophobicContact CE1-CB 3.84Å; F519-C563 HydrophobicContact CZ-CB 3.51Å; W559-C563 PolarHBondContact O-N 3.08Å; I560-C563 PolarHBondContact O-N 3.38Å; T561-C563 PolarHBondContact O-N 3.11Å; C563-I565 PolarHBondContact O-N 2.97Å; C563-N566 PolarHBondContact O-N 2.99Å; C563-G567 PolarHBondContact O-N 3.4Å
564F96.2Very high93.3Very high38 Ų3844.4 Ų44.417%0.16722%0.216CC..Hα-helixtrans-60.5-46176.8178.8-89.5000111.6M520 I524 W527 I560 T561 G567 A568M520-F564 HydrophobicContact CB-CD2 4.02Å; M520-F564 HydrophobicContact CB-CE2 3.65Å; M520-F564 HydrophobicContact CB-CZ 4.48Å; M520-F564 HydrophobicContact CE-CE1 4.2Å; M520-F564 HydrophobicContact CE-CE2 3.88Å; M520-F564 HydrophobicContact CE-CZ 3.59Å; M520-F564 HydrophobicContact CG-CD2 3.91Å; M520-F564 HydrophobicContact CG-CE2 3.81Å; M520-F564 HydrophobicContact CG-CZ 4.42Å; I524-F564 HydrophobicContact CD1-CE2 4.43Å; I524-F564 HydrophobicContact CG1-CE2 4.24Å; W527-F564 HydrophobicContact CH2-CB 3.97Å; W527-F564 HydrophobicContact CH2-CD1 4.16Å; W527-F564 AromaticContact CH2-CD2 3.82Å; W527-F564 HydrophobicContact CH2-CD2 3.82Å; W527-F564 HydrophobicContact CH2-CE2 4.32Å; W527-F564 AromaticContact CH2-CG 3.72Å; W527-F564 HydrophobicContact CH2-CG 3.72Å; W527-F564 HydrophobicContact CZ3-CD2 4.06Å; W527-F564 HydrophobicContact CZ3-CE2 4.14Å; W527-F564 HydrophobicContact CZ3-CG 4.36Å; I560-F564 VanDerWaalsContact O-CB 3.3Å; I560-F564 WeakPolarHBondContact O-CB 3.18Å; I560-F564 PolarHBondContact O-N 3.17Å; T561-F564 PolarHBondContact O-N 3.07Å; F564-G567 PolarHBondContact O-N 3.43Å; F564-A568 WeakPolarHBondContact O-CB 3.37Å; F564-A568 PolarHBondContact O-N 3.39Å
565I95Very high94Very high75 Ų7544.2 Ų44.239%0.38522%0.217SC..Hα-helixtrans-62.5-45.5177.5-68167.7000110.5T561 F562 C563 G567 A568 F569T561-I565 HydrophobicContact CG2-CD1 3.98Å; T561-I565 WeakPolarHBondContact O-CG1 3.11Å; T561-I565 PolarHBondContact O-N 3.36Å; F562-I565 PolarHBondContact O-N 3.46Å; C563-I565 PolarHBondContact O-N 2.97Å; I565-G567 PolarHBondContact O-N 2.92Å; I565-A568 PolarHBondContact O-N 3.3Å; I565-F569 HydrophobicContact CG2-CD2 3.77Å; I565-F569 HydrophobicContact CG2-CE2 3.59Å; I565-F569 VanDerWaalsContact O-CD2 3.25Å; I565-F569 WeakPolarHBondContact O-CD2 3.44Å; I565-F569 PolarHBondContact O-N 2.87Å; I565-F569 VanDerWaalsContact O-N 3.08Å
566N95.1Very high94.6Very high36 Ų3644.8 Ų44.819%0.19322%0.22CC..Hα-helixtrans-60.4-44.6175.3-81.5-83.1000111.9T360 F562 C563 A568 F569 Y570T360-N566 HydrophobicContact CG2-CB 4.38Å; F562-N566 VanDerWaalsContact CE2-ND2 3.32Å; F562-N566 WeakPolarHBondContact CE2-ND2 3.42Å; F562-N566 WeakPolarHBondContact CZ-ND2 3.33Å; F562-N566 PolarHBondContact O-N 2.91Å; F562-N566 VanDerWaalsContact O-N 3.12Å; F562-N566 PolarHBondContact O-ND2 3.34Å; C563-N566 PolarHBondContact O-N 2.99Å; N566-A568 VanDerWaalsContact C-N 3.33Å; N566-A568 PolarHBondContact O-N 3.23Å; N566-F569 PolarHBondContact O-N 2.83Å; N566-Y570 WeakPolarHBondContact O-CB 3.49Å; N566-Y570 PolarHBondContact O-N 3.27Å
567G96.6Very high95Very high0 Ų045.1 Ų45.10%022%0.219CC..Hα-helixtrans-60.5-39.6175.900000112.9C563 F564 I565 Y570 S571C563-G567 PolarHBondContact O-N 3.4Å; F564-G567 PolarHBondContact O-N 3.43Å; I565-G567 PolarHBondContact O-N 2.92Å; G567-Y570 PolarHBondContact O-N 3.13Å; G567-S571 VanDerWaalsContact O-CB 3.26Å; G567-S571 WeakPolarHBondContact O-CB 3.33Å; G567-S571 PolarHBondContact O-N 2.84Å
568A96.1Very high95.3Very high33 Ų3346 Ų4627%0.27322%0.222SC..Hα-helixtrans-65.6-48.7177.800000112.5M520 F564 I565 N566 Y570 S571 F572M520-A568 HydrophobicContact CE-CB 3.86Å; M520-A568 VanDerWaalsContact SD-CA 3.54Å; M520-A568 HydrophobicContact SD-CB 3.82Å; F564-A568 WeakPolarHBondContact O-CB 3.37Å; F564-A568 PolarHBondContact O-N 3.39Å; I565-A568 PolarHBondContact O-N 3.3Å; N566-A568 VanDerWaalsContact C-N 3.33Å; N566-A568 PolarHBondContact O-N 3.23Å; A568-Y570 VanDerWaalsContact C-N 3.31Å; A568-Y570 PolarHBondContact O-N 3.2Å; A568-S571 PolarHBondContact O-N 2.91Å; A568-F572 WeakPolarHBondContact O-CB 3.22Å; A568-F572 PolarHBondContact O-N 3.23Å
569F94.9Very high95.6Very high150 Ų15047.6 Ų47.666%0.65823%0.234SC*.Hα-helixtrans-60.6-43.3175.4-80.8-66.7000111.7I565 N566 F572 W573I565-F569 HydrophobicContact CG2-CD2 3.77Å; I565-F569 HydrophobicContact CG2-CE2 3.59Å; I565-F569 VanDerWaalsContact O-CD2 3.25Å; I565-F569 WeakPolarHBondContact O-CD2 3.44Å; I565-F569 PolarHBondContact O-N 2.87Å; I565-F569 VanDerWaalsContact O-N 3.08Å; N566-F569 PolarHBondContact O-N 2.83Å; F569-F572 PolarHBondContact O-N 2.9Å; F569-W573 PolarHBondContact O-N 3.2Å
570Y94Very high95.7Very high22 Ų2247.9 Ų47.99%0.08624%0.243CC..Hα-helixtrans-70-39.7-177.7-161.7-168.2000111.9T360 Y508 T512 N566 G567 A568 T574T360-Y570 HydrophobicContact CG2-CD1 4.2Å; Y508-Y570 PolarHBondContact OH-OH 2.78Å; Y508-Y570 VanDerWaalsContact OH-OH 3.12Å; T512-Y570 HydrophobicContact CG2-CD1 4.29Å; T512-Y570 HydrophobicContact CG2-CE1 3.85Å; T512-Y570 HydrophobicContact CG2-CE2 4.16Å; N566-Y570 WeakPolarHBondContact O-CB 3.49Å; N566-Y570 PolarHBondContact O-N 3.27Å; G567-Y570 PolarHBondContact O-N 3.13Å; A568-Y570 VanDerWaalsContact C-N 3.31Å; A568-Y570 PolarHBondContact O-N 3.2Å; Y570-T574 HydrophobicContact CD2-CG2 3.62Å; Y570-T574 HydrophobicContact CE2-CG2 3.5Å; Y570-T574 VanDerWaalsContact CE2-CG2 3.5Å; Y570-T574 WeakPolarHBondContact O-CB 3.45Å; Y570-T574 VanDerWaalsContact O-CG2 3.31Å; Y570-T574 WeakPolarHBondContact O-CG2 3.38Å; Y570-T574 PolarHBondContact O-N 3.33Å; Y570-T574 PolarHBondContact O-OG1 3.39Å
571S95.8Very high95.8Very high8 Ų848.3 Ų48.36%0.05625%0.245CC..Hα-helixtrans-58.1-51.9171.8-178.50000111N517 G567 A568 W573 T574 T575N517-S571 PolarHBondContact ND2-OG 2.58Å; G567-S571 VanDerWaalsContact O-CB 3.26Å; G567-S571 WeakPolarHBondContact O-CB 3.33Å; G567-S571 PolarHBondContact O-N 2.84Å; A568-S571 PolarHBondContact O-N 2.91Å; S571-W573 VanDerWaalsContact C-N 3.33Å; S571-W573 PolarHBondContact O-N 3.22Å; S571-T574 PolarHBondContact O-N 2.97Å; S571-T574 PolarHBondContact O-OG1 3.25Å; S571-T574 VanDerWaalsContact O-OG1 3.13Å; S571-T575 WeakPolarHBondContact O-CB 3.42Å; S571-T575 PolarHBondContact O-N 3.5Å; S571-T575 PolarHBondContact O-OG1 3.37Å
572F95.8Very high95.9Very high135 Ų13550.6 Ų50.659%0.59225%0.253SS*.Hα-helixtrans-55.4-49.3-176.3173-104.5000111.8A568 F569 L576A568-F572 WeakPolarHBondContact O-CB 3.22Å; A568-F572 PolarHBondContact O-N 3.23Å; F569-F572 PolarHBondContact O-N 2.9Å; F572-L576 HydrophobicContact CD1-CD1 4.28Å; F572-L576 HydrophobicContact CE1-CD1 3.69Å; F572-L576 HydrophobicContact CE2-CD1 3.96Å; F572-L576 HydrophobicContact CZ-CD1 3.51Å; F572-L576 WeakPolarHBondContact O-CG 3.49Å; F572-L576 PolarHBondContact O-N 3.01Å
573W93.1Very high95.9Very high123 Ų12354.1 Ų54.147%0.46627%0.267SS..Hα-helixtrans-66.2-43.4-179.9-178.7-111.4000112.7F569 S571 L576 L577F569-W573 PolarHBondContact O-N 3.2Å; S571-W573 VanDerWaalsContact C-N 3.33Å; S571-W573 PolarHBondContact O-N 3.22Å; W573-L576 PolarHBondContact O-N 3.03Å; W573-L577 HydrophobicContact CD2-CD1 4.47Å; W573-L577 HydrophobicContact CD2-CG 4.48Å; W573-L577 HydrophobicContact CZ2-CD1 4.08Å; W573-L577 HydrophobicContact CZ2-CD2 4.11Å; W573-L577 HydrophobicContact CZ2-CG 4.21Å; W573-L577 VanDerWaalsContact NE1-CD1 3.28Å; W573-L577 PolarHBondContact O-N 3.43Å
574T95.6Very high95.8Very high3 Ų354.5 Ų54.52%0.01827%0.268CS..Hα-helixtrans-70.6-34.1-178.652.70000112.9T512 Y570 S571 L577 F578T512-T574 HydrophobicContact CG2-CG2 3.79Å; Y570-T574 HydrophobicContact CD2-CG2 3.62Å; Y570-T574 HydrophobicContact CE2-CG2 3.5Å; Y570-T574 VanDerWaalsContact CE2-CG2 3.5Å; Y570-T574 WeakPolarHBondContact O-CB 3.45Å; Y570-T574 VanDerWaalsContact O-CG2 3.31Å; Y570-T574 WeakPolarHBondContact O-CG2 3.38Å; Y570-T574 PolarHBondContact O-N 3.33Å; Y570-T574 PolarHBondContact O-OG1 3.39Å; S571-T574 PolarHBondContact O-N 2.97Å; S571-T574 PolarHBondContact O-OG1 3.25Å; S571-T574 VanDerWaalsContact O-OG1 3.13Å; T574-L577 PolarHBondContact O-N 2.99Å; T574-F578 VanDerWaalsContact O-CB 3.29Å; T574-F578 WeakPolarHBondContact O-CB 3.41Å; T574-F578 PolarHBondContact O-N 3.49Å
575T97.3Very high95.7Very high49 Ų4952.7 Ų52.730%0.30126%0.26SS..Hα-helixtrans-61.5-47.4171.8-53.40000111.1S513 S571 L577 F578 C579S513-T575 PolarHBondContact OG-OG1 3.22Å; S571-T575 WeakPolarHBondContact O-CB 3.42Å; S571-T575 PolarHBondContact O-N 3.5Å; S571-T575 PolarHBondContact O-OG1 3.37Å; T575-L577 PolarHBondContact O-N 2.86Å; T575-F578 PolarHBondContact O-N 2.9Å; T575-C579 PolarHBondContact O-N 3.06Å; T575-C579 PolarHBondContact O-SG 3.43Å; T575-C579 VanDerWaalsContact O-SG 3.35Å
576L96.7Very high95.6Very high89 Ų8949.2 Ų49.247%0.46624%0.243SC..Hα-helixtrans-61.6-44.9178.9-73.1175.9000112.1F572 W573 C579 S580F572-L576 HydrophobicContact CD1-CD1 4.28Å; F572-L576 HydrophobicContact CE1-CD1 3.69Å; F572-L576 HydrophobicContact CE2-CD1 3.96Å; F572-L576 HydrophobicContact CZ-CD1 3.51Å; F572-L576 WeakPolarHBondContact O-CG 3.49Å; F572-L576 PolarHBondContact O-N 3.01Å; W573-L576 PolarHBondContact O-N 3.03Å; L576-C579 PolarHBondContact O-N 3.1Å; L576-S580 WeakPolarHBondContact O-CB 3.33Å; L576-S580 PolarHBondContact O-N 2.65Å
577L95.6Very high95.5Very high44 Ų4452.8 Ų52.823%0.2325%0.254CS..Hα-helixtrans-63.7-43176.4-73.6-177.9000111.9L509 W573 T574 T575 S580 Q581L509-L577 HydrophobicContact CD1-CB 3.96Å; L509-L577 HydrophobicContact CD2-CB 4.12Å; L509-L577 HydrophobicContact CD2-CD1 4.31Å; W573-L577 HydrophobicContact CD2-CD1 4.47Å; W573-L577 HydrophobicContact CD2-CG 4.48Å; W573-L577 HydrophobicContact CZ2-CD1 4.08Å; W573-L577 HydrophobicContact CZ2-CD2 4.11Å; W573-L577 HydrophobicContact CZ2-CG 4.21Å; W573-L577 VanDerWaalsContact NE1-CD1 3.28Å; W573-L577 PolarHBondContact O-N 3.43Å; T574-L577 PolarHBondContact O-N 2.99Å; T575-L577 PolarHBondContact O-N 2.86Å; L577-S580 PolarHBondContact O-N 3.42Å; L577-Q581 VanDerWaalsContact O-CB 3.27Å; L577-Q581 WeakPolarHBondContact O-CB 3.4Å; L577-Q581 VanDerWaalsContact O-CG 3.25Å; L577-Q581 WeakPolarHBondContact O-CG 3.29Å; L577-Q581 PolarHBondContact O-N 3.12Å
578F97.5Very high95.2Very high38 Ų3853.4 Ų53.417%0.16726%0.257CS..Hα-helixtrans-57.8-54.2175.9168.2-106.2000110.8I506 L509 L510 T574 T575 S580 Q581 F582I506-F578 HydrophobicContact CG2-CD2 4.07Å; I506-F578 HydrophobicContact CG2-CE2 3.8Å; L509-F578 HydrophobicContact CB-CB 3.91Å; L510-F578 HydrophobicContact CB-CD2 3.82Å; L510-F578 HydrophobicContact CB-CE2 3.76Å; L510-F578 HydrophobicContact CB-CG 4.47Å; L510-F578 HydrophobicContact CB-CZ 4.36Å; L510-F578 HydrophobicContact CD1-CD1 4.4Å; L510-F578 HydrophobicContact CD1-CE1 4Å; L510-F578 HydrophobicContact CD1-CE2 4.15Å; L510-F578 HydrophobicContact CD1-CZ 3.87Å; L510-F578 HydrophobicContact CD2-CE2 4.34Å; L510-F578 HydrophobicContact CD2-CZ 4.4Å; L510-F578 HydrophobicContact CG-CE2 4.29Å; L510-F578 HydrophobicContact CG-CZ 4.43Å; T574-F578 VanDerWaalsContact O-CB 3.29Å; T574-F578 WeakPolarHBondContact O-CB 3.41Å; T574-F578 PolarHBondContact O-N 3.49Å; T575-F578 PolarHBondContact O-N 2.9Å; F578-S580 VanDerWaalsContact C-N 3.31Å; F578-S580 PolarHBondContact O-N 3.06Å; F578-Q581 PolarHBondContact O-N 3.2Å; F578-F582 HydrophobicContact CD2-CB 4.47Å; F578-F582 HydrophobicContact CE2-CB 4.14Å; F578-F582 HydrophobicContact CE2-CD2 4.3Å; F578-F582 HydrophobicContact CE2-CG 4.24Å; F578-F582 HydrophobicContact CZ-CB 4.29Å; F578-F582 HydrophobicContact CZ-CD1 4.45Å; F578-F582 HydrophobicContact CZ-CD2 4.46Å; F578-F582 HydrophobicContact CZ-CG 4.16Å; F578-F582 WeakPolarHBondContact O-CB 3.42Å; F578-F582 PolarHBondContact O-N 3.09Å
579C97.4Very high95Very high70 Ų7052 Ų5247%0.47325%0.245SC..Hα-helixtrans-58.6-43.2-179.1-690000111.9T575 L576 Y583T575-C579 PolarHBondContact O-N 3.06Å; T575-C579 PolarHBondContact O-SG 3.43Å; T575-C579 VanDerWaalsContact O-SG 3.35Å; L576-C579 PolarHBondContact O-N 3.1Å; C579-Y583 WeakPolarHBondContact O-CB 3.35Å; C579-Y583 PolarHBondContact O-N 3.47Å
580S96Very high94.9Very high52 Ų5245.3 Ų45.336%0.36422%0.217SC..Hα-helixtrans-64.4-51.4177.9174.90000112.3L576 L577 F578 Y583 Q584L576-S580 WeakPolarHBondContact O-CB 3.33Å; L576-S580 PolarHBondContact O-N 2.65Å; L577-S580 PolarHBondContact O-N 3.42Å; F578-S580 VanDerWaalsContact C-N 3.31Å; F578-S580 PolarHBondContact O-N 3.06Å; S580-Y583 PolarHBondContact O-N 2.93Å; S580-Q584 WeakPolarHBondContact O-CB 3.4Å; S580-Q584 VanDerWaalsContact O-CG 3.26Å; S580-Q584 WeakPolarHBondContact O-CG 3.31Å; S580-Q584 PolarHBondContact O-N 3.07Å; S580-Q584 PolarHBondContact OG-NE2 2.98Å; S580-Q584 VanDerWaalsContact OG-NE2 3.16Å
581Q95.9Very high94.9Very high9 Ų944.2 Ų44.24%0.04221%0.213CC..Hα-helixtrans-65.9-41.8-177.8-73-73.1-21.400111.7D487 H502 F505 I506 L509 L577 F578 Q584 M585 T592D487-Q581 PolarHBondContact OD2-NE2 2.99Å; D487-Q581 PolarHBondContact OD2-OE1 3.22Å; H502-Q581 PolarHBondContact NE2-OE1 3.36Å; F505-Q581 HydrophobicContact CE1-CG 4.32Å; I506-Q581 HydrophobicContact CG1-CB 4.26Å; L509-Q581 HydrophobicContact CD1-CB 4.46Å; L509-Q581 HydrophobicContact CD1-CG 4.24Å; L577-Q581 VanDerWaalsContact O-CB 3.27Å; L577-Q581 WeakPolarHBondContact O-CB 3.4Å; L577-Q581 VanDerWaalsContact O-CG 3.25Å; L577-Q581 WeakPolarHBondContact O-CG 3.29Å; L577-Q581 PolarHBondContact O-N 3.12Å; F578-Q581 PolarHBondContact O-N 3.2Å; Q581-Q584 PolarHBondContact O-N 2.79Å; Q581-M585 WeakPolarHBondContact O-CG 3.47Å; Q581-M585 PolarHBondContact O-N 3.1Å; Q581-T592 PolarHBondContact NE2-OG1 3.4Å
582F96Very high94.9Very high62 Ų6245.3 Ų45.327%0.27222%0.22SC..Hα-helixtrans-64.1-46.1177.3-170.2-111.6000111.5I506 F578 Q584 M585 V586 W587 L643I506-F582 HydrophobicContact CG2-CD2 3.95Å; F578-F582 HydrophobicContact CD2-CB 4.47Å; F578-F582 HydrophobicContact CE2-CB 4.14Å; F578-F582 HydrophobicContact CE2-CD2 4.3Å; F578-F582 HydrophobicContact CE2-CG 4.24Å; F578-F582 HydrophobicContact CZ-CB 4.29Å; F578-F582 HydrophobicContact CZ-CD1 4.45Å; F578-F582 HydrophobicContact CZ-CD2 4.46Å; F578-F582 HydrophobicContact CZ-CG 4.16Å; F578-F582 WeakPolarHBondContact O-CB 3.42Å; F578-F582 PolarHBondContact O-N 3.09Å; F582-Q584 PolarHBondContact O-N 2.84Å; F582-M585 PolarHBondContact O-N 2.9Å; F582-V586 HydrophobicContact CD2-CG2 3.93Å; F582-V586 HydrophobicContact CE1-CG2 4.36Å; F582-V586 HydrophobicContact CE2-CG2 3.65Å; F582-V586 HydrophobicContact CG-CG2 4.41Å; F582-V586 HydrophobicContact CZ-CG2 3.88Å; F582-V586 VanDerWaalsContact O-CB 3.32Å; F582-V586 WeakPolarHBondContact O-CB 3.27Å; F582-V586 WeakPolarHBondContact O-CG2 3.41Å; F582-V586 PolarHBondContact O-N 3.3Å; F582-W587 HydrophobicContact CD1-CZ3 4.13Å; F582-W587 AromaticContact CE1-CZ3 3.95Å; F582-W587 HydrophobicContact CE1-CZ3 3.95Å; F582-L643 HydrophobicContact CE2-CD1 4.35Å
583Y96Very high94.8Very high100 Ų10039.4 Ų39.439%0.39219%0.194SC..Hα-helixtrans-57.6-47.2174171.9-105.7000111.9C579 S580 M585 W587 L588C579-Y583 WeakPolarHBondContact O-CB 3.35Å; C579-Y583 PolarHBondContact O-N 3.47Å; S580-Y583 PolarHBondContact O-N 2.93Å; Y583-M585 PolarHBondContact O-N 2.87Å; Y583-W587 HydrophobicContact CD2-CB 3.7Å; Y583-W587 HydrophobicContact CD2-CD2 4.01Å; Y583-W587 HydrophobicContact CD2-CE3 4.13Å; Y583-W587 AromaticContact CD2-CG 3.85Å; Y583-W587 HydrophobicContact CD2-CG 3.85Å; Y583-W587 HydrophobicContact CE2-CB 3.58Å; Y583-W587 HydrophobicContact CE2-CD2 4.41Å; Y583-W587 AromaticContact CE2-CG 3.82Å; Y583-W587 HydrophobicContact CE2-CG 3.82Å; Y583-W587 WeakPolarHBondContact O-CA 3.45Å; Y583-W587 WeakPolarHBondContact O-CB 3.48Å; Y583-W587 PolarHBondContact O-N 3.12Å; Y583-L588 HydrophobicContact CD1-CD1 4.27Å; Y583-L588 HydrophobicContact CE1-CD1 3.68Å; Y583-L588 HydrophobicContact CE1-CD2 4.36Å; Y583-L588 HydrophobicContact CE1-CG 4.01Å
584Q95Very high94.7Very high8 Ų833.6 Ų33.64%0.03717%0.172CC..Iπ-helixtrans-62-43.5-179.6-76.8-177.544.400112.7S580 Q581 F582 L588 N589 A590 T592S580-Q584 WeakPolarHBondContact O-CB 3.4Å; S580-Q584 VanDerWaalsContact O-CG 3.26Å; S580-Q584 WeakPolarHBondContact O-CG 3.31Å; S580-Q584 PolarHBondContact O-N 3.07Å; S580-Q584 PolarHBondContact OG-NE2 2.98Å; S580-Q584 VanDerWaalsContact OG-NE2 3.16Å; Q581-Q584 PolarHBondContact O-N 2.79Å; F582-Q584 PolarHBondContact O-N 2.84Å; Q584-L588 HydrophobicContact CG-CD1 4.44Å; Q584-L588 CarbonylContact O-C 3.57Å; Q584-L588 WeakPolarHBondContact O-CB 3.38Å; Q584-L588 PolarHBondContact O-N 3.14Å; Q584-N589 PolarHBondContact O-N 3.01Å; Q584-A590 WeakPolarHBondContact CB-O 3.5Å; Q584-A590 PolarHBondContact O-N 3.5Å; Q584-T592 VanDerWaalsContact OE1-N 3.16Å; Q584-T592 PolarHBondContact OE1-OG1 3Å; Q584-T592 VanDerWaalsContact OE1-OG1 3.11Å
585M93.7Very high94.5Very high0 Ų039.9 Ų39.90%020%0.196CC..Iπ-helixtrans-74-40.9-179.5-69-56.9104.500112.7H502 I506 Q581 F582 Y583 N589 A590 T591 L646H502-M585 PolarHBondContact CE1-SD 3.42Å; I506-M585 HydrophobicContact CD1-CB 4.13Å; I506-M585 HydrophobicContact CD1-CG 3.79Å; Q581-M585 WeakPolarHBondContact O-CG 3.47Å; Q581-M585 PolarHBondContact O-N 3.1Å; F582-M585 PolarHBondContact O-N 2.9Å; Y583-M585 PolarHBondContact O-N 2.87Å; M585-N589 WeakPolarHBondContact O-CA 3.47Å; M585-N589 PolarHBondContact O-N 3.14Å; M585-A590 WeakPolarHBondContact CE-O 3.19Å; M585-T591 HydrophobicContact CE-CG2 4.22Å; M585-L646 HydrophobicContact CB-CD1 4.18Å; M585-L646 HydrophobicContact CB-CD2 3.9Å; M585-L646 HydrophobicContact CG-CD1 4.1Å
586V93.5Very high94.1Very high3 Ų343.3 Ų43.32%0.01821%0.211CC..Iπ-helixtrans-87.4-43.8-172.4174.70000112.5F582 I639 N642 L643 L646F582-V586 HydrophobicContact CD2-CG2 3.93Å; F582-V586 HydrophobicContact CE1-CG2 4.36Å; F582-V586 HydrophobicContact CE2-CG2 3.65Å; F582-V586 HydrophobicContact CG-CG2 4.41Å; F582-V586 HydrophobicContact CZ-CG2 3.88Å; F582-V586 VanDerWaalsContact O-CB 3.32Å; F582-V586 WeakPolarHBondContact O-CB 3.27Å; F582-V586 WeakPolarHBondContact O-CG2 3.41Å; F582-V586 PolarHBondContact O-N 3.3Å; V586-I639 HydrophobicContact CG1-CG2 3.71Å; V586-N642 VanDerWaalsContact O-CB 3.28Å; V586-N642 WeakPolarHBondContact O-CB 3.28Å; V586-N642 PolarHBondContact O-ND2 3.29Å; V586-L643 HydrophobicContact CG1-CB 4.43Å; V586-L643 HydrophobicContact CG2-CB 4.45Å; V586-L643 HydrophobicContact CG2-CD1 3.95Å; V586-L646 HydrophobicContact CG2-CD2 4.29Å
587W93.1Very high93.7Very high111 Ų11140.4 Ų40.442%0.4220%0.195SC..Iπ-helixtrans-91.4-23.5-177.3-84.4-99.5000114.4F582 Y583 I639F582-W587 HydrophobicContact CD1-CZ3 4.13Å; F582-W587 AromaticContact CE1-CZ3 3.95Å; F582-W587 HydrophobicContact CE1-CZ3 3.95Å; Y583-W587 HydrophobicContact CD2-CB 3.7Å; Y583-W587 HydrophobicContact CD2-CD2 4.01Å; Y583-W587 HydrophobicContact CD2-CE3 4.13Å; Y583-W587 AromaticContact CD2-CG 3.85Å; Y583-W587 HydrophobicContact CD2-CG 3.85Å; Y583-W587 HydrophobicContact CE2-CB 3.58Å; Y583-W587 HydrophobicContact CE2-CD2 4.41Å; Y583-W587 AromaticContact CE2-CG 3.82Å; Y583-W587 HydrophobicContact CE2-CG 3.82Å; Y583-W587 WeakPolarHBondContact O-CA 3.45Å; Y583-W587 WeakPolarHBondContact O-CB 3.48Å; Y583-W587 PolarHBondContact O-N 3.12Å; W587-I639 HydrophobicContact CG-CG1 4.44Å
588L91Very high93.1Very high13 Ų1340.4 Ų40.47%0.06820%0.195CC..Iπ-helixtrans-117-19.6-175.2-51.6-178.5000113.7Y583 Q584 A590 R633Y583-L588 HydrophobicContact CD1-CD1 4.27Å; Y583-L588 HydrophobicContact CE1-CD1 3.68Å; Y583-L588 HydrophobicContact CE1-CD2 4.36Å; Y583-L588 HydrophobicContact CE1-CG 4.01Å; Q584-L588 HydrophobicContact CG-CD1 4.44Å; Q584-L588 CarbonylContact O-C 3.57Å; Q584-L588 WeakPolarHBondContact O-CB 3.38Å; Q584-L588 PolarHBondContact O-N 3.14Å; L588-A590 HydrophobicContact CB-CB 4.14Å; L588-A590 PolarHBondContact O-N 2.98Å; L588-R633 VanDerWaalsContact CD2-NH1 3.32Å
589N91.5Very high92.2Very high2 Ų242.7 Ų42.71%0.01121%0.209CC..  trans44.239.4-165.8-159.47.1000114.1R472 R485 Q584 M585 Y635 N642R472-N589 PolarHBondContact NH2-O 3.45Å; R485-N589 PolarHBondContact NH2-OD1 2.94Å; Q584-N589 PolarHBondContact O-N 3.01Å; M585-N589 WeakPolarHBondContact O-CA 3.47Å; M585-N589 PolarHBondContact O-N 3.14Å; N589-Y635 WeakPolarHBondContact CB-O 3.34Å; N589-Y635 PolarHBondContact ND2-O 3.46Å; N589-N642 HydrophobicContact CB-CB 4.33Å
590A92.6Very high91.3Very high10 Ų1047.8 Ų47.88%0.08322%0.218CC..  trans-129.5131.9-175.200000110.2Q584 M585 L588 E594Q584-A590 WeakPolarHBondContact CB-O 3.5Å; Q584-A590 PolarHBondContact O-N 3.5Å; M585-A590 WeakPolarHBondContact CE-O 3.19Å; L588-A590 HydrophobicContact CB-CB 4.14Å; L588-A590 PolarHBondContact O-N 2.98Å; A590-E594 WeakPolarHBondContact CA-OE2 3.47Å
591T94.5Very high90.4Very high0 Ų047.2 Ų47.20%021%0.208CC..  trans-72160.517776.70000111.5R485 F486 D487 M585 N593 E594 R595R485-T591 HydrophobicContact CG-CG2 3.84Å; F486-T591 WeakPolarHBondContact O-CB 3.21Å; F486-T591 PolarHBondContact O-OG1 3.23Å; D487-T591 HydrophobicContact CB-CG2 4.39Å; D487-T591 WeakPolarHBondContact OD1-CA 3.45Å; D487-T591 VanDerWaalsContact OD1-CB 3.26Å; D487-T591 WeakPolarHBondContact OD1-CB 3.2Å; M585-T591 HydrophobicContact CE-CG2 4.22Å; T591-N593 PolarHBondContact O-N 3.49Å; T591-E594 PolarHBondContact N-OE2 3.33Å; T591-E594 WeakPolarHBondContact O-CB 3.39Å; T591-E594 PolarHBondContact O-N 2.87Å; T591-E594 VanDerWaalsContact O-N 3.11Å; T591-E594 VanDerWaalsContact OG1-CG 3.3Å; T591-E594 WeakPolarHBondContact OG1-CG 3.34Å; T591-E594 PolarHBondContact OG1-N 3.39Å; T591-R595 WeakPolarHBondContact O-CB 3.28Å; T591-R595 PolarHBondContact O-N 3.04Å
592T94.6Very high89.3Confident31 Ų3149.6 Ų49.619%0.1922%0.223CC..Hα-helixtrans-56.6-42.8176.4-56.70000110.6D487 Q581 Q584 R595 I596D487-T592 WeakPolarHBondContact OD1-CB 3.47Å; D487-T592 PolarHBondContact OD1-N 3.39Å; D487-T592 PolarHBondContact OD1-OG1 3.4Å; D487-T592 PolarHBondContact OD2-OG1 3.1Å; Q581-T592 PolarHBondContact NE2-OG1 3.4Å; Q584-T592 VanDerWaalsContact OE1-N 3.16Å; Q584-T592 PolarHBondContact OE1-OG1 3Å; Q584-T592 VanDerWaalsContact OE1-OG1 3.11Å; T592-R595 PolarHBondContact O-N 3.25Å; T592-I596 HydrophobicContact CG2-CD1 3.84Å; T592-I596 VanDerWaalsContact O-CG1 3.28Å; T592-I596 WeakPolarHBondContact O-CG1 3.09Å; T592-I596 PolarHBondContact O-N 3.45Å
593N93.8Very high88.2Confident10 Ų1047.3 Ų47.35%0.05321%0.213CC..Hα-helixtrans-63.5-42.8175.917379.4000112.6K474 F486 D487 T591 I596 N597 Y601K474-N593 WeakPolarHBondContact CD-OD1 3.27Å; K474-N593 PolarHBondContact NZ-OD1 2.79Å; F486-N593 HydrophobicContact CD1-CB 3.89Å; F486-N593 HydrophobicContact CE1-CB 4.2Å; D487-N593 VanDerWaalsContact O-CB 3.24Å; D487-N593 WeakPolarHBondContact O-CB 3.27Å; D487-N593 PolarHBondContact O-N 3.07Å; T591-N593 PolarHBondContact O-N 3.49Å; N593-I596 PolarHBondContact O-N 3.4Å; N593-N597 WeakPolarHBondContact O-CB 3.42Å; N593-N597 PolarHBondContact O-N 2.91Å; N593-N597 VanDerWaalsContact O-N 3.12Å; N593-N597 PolarHBondContact O-ND2 2.96Å; N593-N597 PolarHBondContact OD1-ND2 3.03Å; N593-Y601 PolarHBondContact ND2-OH 2.72Å
594E92Very high87.4Confident2 Ų242.9 Ų42.91%0.00920%0.196CC..Hα-helixtrans-62-45.3176.2-71.9163.6177.400110.9R472 A590 T591 I596 N597 M598 Y601 F604R472-E594 WeakPolarHBondContact CB-OE1 3.45Å; R472-E594 VanDerWaalsContact CG-OE1 3.26Å; R472-E594 WeakPolarHBondContact CG-OE1 3.32Å; R472-E594 IonicContact CZ-OE1 3.44Å; R472-E594 IonicContact CZ-OE2 3.34Å; R472-E594 IonicContact NE-OE1 3.65Å; R472-E594 PolarHBondContact NE-OE1 3.43Å; R472-E594 IonicContact NE-OE2 2.89Å; R472-E594 PolarHBondContact NE-OE2 3.25Å; R472-E594 IonicContact NH2-OE1 2.74Å; R472-E594 PolarHBondContact NH2-OE1 3.04Å; R472-E594 IonicContact NH2-OE2 3.72Å; R472-E594 PolarHBondContact NH2-OE2 3.21Å; A590-E594 WeakPolarHBondContact CA-OE2 3.47Å; T591-E594 PolarHBondContact N-OE2 3.33Å; T591-E594 WeakPolarHBondContact O-CB 3.39Å; T591-E594 PolarHBondContact O-N 2.87Å; T591-E594 VanDerWaalsContact O-N 3.11Å; T591-E594 VanDerWaalsContact OG1-CG 3.3Å; T591-E594 WeakPolarHBondContact OG1-CG 3.34Å; T591-E594 PolarHBondContact OG1-N 3.39Å; E594-I596 VanDerWaalsContact C-N 3.34Å; E594-I596 PolarHBondContact O-N 3.49Å; E594-N597 CarbonylContact O-C 3.53Å; E594-N597 PolarHBondContact O-N 3.26Å; E594-M598 WeakPolarHBondContact O-CA 3.49Å; E594-M598 PolarHBondContact O-N 3.24Å; E594-Y601 HydrophobicContact CG-CE2 4.36Å; E594-F604 HydrophobicContact CB-CZ 4.28Å
595R90.5Very high86.4Confident135 Ų13545 Ų4551%0.50921%0.208SC..Hα-helixtrans-62.7-38.5-179.3-165.1178.3-169.2-113.81112.9T591 T592T591-R595 WeakPolarHBondContact O-CB 3.28Å; T591-R595 PolarHBondContact O-N 3.04Å; T592-R595 PolarHBondContact O-N 3.25Å
596I89.7Confident84.9Confident120 Ų12048.8 Ų48.862%0.61523%0.231SC*.Hα-helixtrans-74.3-33.1179.2-68.7168.7000111.8T592 N593 E594T592-I596 HydrophobicContact CG2-CD1 3.84Å; T592-I596 VanDerWaalsContact O-CG1 3.28Å; T592-I596 WeakPolarHBondContact O-CG1 3.09Å; T592-I596 PolarHBondContact O-N 3.45Å; N593-I596 PolarHBondContact O-N 3.4Å; E594-I596 VanDerWaalsContact C-N 3.34Å; E594-I596 PolarHBondContact O-N 3.49Å
597N87.5Confident82.9Confident28 Ų2852.8 Ų52.815%0.1525%0.253CS..THydrogen-bonded Turntrans-110.126.8-174.4-59.5-80.9000112.4N593 E594 D599 R600 Y601N593-N597 WeakPolarHBondContact O-CB 3.42Å; N593-N597 PolarHBondContact O-N 2.91Å; N593-N597 VanDerWaalsContact O-N 3.12Å; N593-N597 PolarHBondContact O-ND2 2.96Å; N593-N597 PolarHBondContact OD1-ND2 3.03Å; E594-N597 CarbonylContact O-C 3.53Å; E594-N597 PolarHBondContact O-N 3.26Å; N597-D599 VanDerWaalsContact C-OD1 3.31Å; N597-D599 PolarHBondContact O-N 3.42Å; N597-R600 HydrophobicContact CB-CB 4.49Å; N597-R600 HydrophobicContact CB-CG 4.47Å; N597-R600 WeakPolarHBondContact O-CB 3.31Å; N597-R600 PolarHBondContact O-N 2.96Å; N597-Y601 HydrophobicContact CB-CD2 4.45Å; N597-Y601 HydrophobicContact CB-CE2 3.96Å; N597-Y601 WeakPolarHBondContact O-CD2 3.48Å
598M83.9Confident80.6Confident44 Ų4451.2 Ų51.222%0.21725%0.252CS..G310 helixtrans-59.8-34.7-170.3-170.316050.200112.5E594 R600 Y601 F604 Y631E594-M598 WeakPolarHBondContact O-CA 3.49Å; E594-M598 PolarHBondContact O-N 3.24Å; M598-R600 PolarHBondContact O-N 3.02Å; M598-Y601 PolarHBondContact O-N 2.63Å; M598-F604 HydrophobicContact CG-CB 3.62Å; M598-F604 HydrophobicContact CG-CD1 3.61Å; M598-F604 HydrophobicContact CG-CE1 4.44Å; M598-F604 HydrophobicContact CG-CG 3.72Å; M598-F604 HydrophobicContact SD-CD1 3.77Å; M598-F604 HydrophobicContact SD-CE1 4.4Å; M598-F604 HydrophobicContact SD-CG 4.46Å; M598-Y631 HydrophobicContact CE-CD1 4.23Å; M598-Y631 HydrophobicContact CE-CD2 3.2Å; M598-Y631 HydrophobicContact CE-CE2 3.79Å; M598-Y631 HydrophobicContact CE-CG 3.44Å; M598-Y631 VanDerWaalsContact CE-CG 3.44Å; M598-Y631 HydrophobicContact CG-CD1 3.8Å; M598-Y631 HydrophobicContact CG-CD2 4.47Å; M598-Y631 HydrophobicContact CG-CE1 4.38Å; M598-Y631 HydrophobicContact CG-CG 3.83Å; M598-Y631 WeakPolarHBondContact SD-CB 3.38Å; M598-Y631 HydrophobicContact SD-CD1 4.3Å; M598-Y631 HydrophobicContact SD-CD2 4.12Å; M598-Y631 HydrophobicContact SD-CG 3.71Å
599D77.3Confident78.2Confident87 Ų8755 Ų5547%0.46527%0.273SS..G310 helixtrans-61.8-27.6174.562.4-51.7000113.7N597 N605N597-D599 VanDerWaalsContact C-OD1 3.31Å; N597-D599 PolarHBondContact O-N 3.42Å; D599-N605 PolarHBondContact O-ND2 3.04Å
600R78.8Confident75.6Confident177 Ų17760.2 Ų60.267%0.66830%0.301SS*.G310 helixtrans-85.5-15.8-177.4-57.7-174.1-179.9-171.7-2.2113.7N597 M598N597-R600 HydrophobicContact CB-CB 4.49Å; N597-R600 HydrophobicContact CB-CG 4.47Å; N597-R600 WeakPolarHBondContact O-CB 3.31Å; N597-R600 PolarHBondContact O-N 2.96Å; M598-R600 PolarHBondContact O-N 3.02Å
601Y77.5Confident72.7Confident40 Ų4066.3 Ų66.316%0.15733%0.331CS..  trans-96.1118.8-179-69.7-76.3000110.2N593 E594 N597 M598 E603 F604N593-Y601 PolarHBondContact ND2-OH 2.72Å; E594-Y601 HydrophobicContact CG-CE2 4.36Å; N597-Y601 HydrophobicContact CB-CD2 4.45Å; N597-Y601 HydrophobicContact CB-CE2 3.96Å; N597-Y601 WeakPolarHBondContact O-CD2 3.48Å; M598-Y601 PolarHBondContact O-N 2.63Å; Y601-E603 WeakPolarHBondContact CD1-OE1 3.29Å; Y601-E603 PolarHBondContact O-N 2.93Å; Y601-F604 HydrophobicContact CD2-CD2 4.41Å; Y601-F604 HydrophobicContact CD2-CE2 4.35Å; Y601-F604 HydrophobicContact CG-CD2 4.12Å; Y601-F604 HydrophobicContact CG-CE2 4.19Å; Y601-F604 PolarHBondContact O-N 2.8Å; Y601-F604 VanDerWaalsContact O-N 3.12Å
602V72Confident69.6Low58 Ų5871.9 Ų71.935%0.35237%0.366SS..Hα-helixtrans-58.5-40-177.7179.70000111.2F604 N605 T606V602-F604 PolarHBondContact O-N 3.14Å; V602-N605 PolarHBondContact O-N 3.22Å; V602-T606 PolarHBondContact O-N 3.19Å; V602-T606 PolarHBondContact O-OG1 2.87Å
603E74.1Confident66.5Low14 Ų1475.6 Ų75.67%0.06539%0.389CS..Hα-helixtrans-62-19.3179.754.5-92.3-154.900115.2R460 Y601 T606 P634 M668R460-E603 IonicContact NH2-OE1 3.11Å; R460-E603 IonicContact NH2-OE2 2.84Å; R460-E603 PolarHBondContact NH2-OE2 3.11Å; Y601-E603 WeakPolarHBondContact CD1-OE1 3.29Å; Y601-E603 PolarHBondContact O-N 2.93Å; E603-T606 PolarHBondContact O-OG1 3.37Å; E603-P634 HydrophobicContact CB-CG 4.36Å; E603-P634 HydrophobicContact CG-CG 4.42Å; E603-M668 HydrophobicContact CB-CG 4.5Å; E603-M668 HydrophobicContact CB-SD 4.45Å
604F78.4Confident63.3Low7 Ų780.2 Ų80.23%0.03142%0.417CS..Hα-helixtrans-91.8-16174.9-68.6-99.5000112.7E594 M598 Y601 V602 N632 P634 Y635E594-F604 HydrophobicContact CB-CZ 4.28Å; M598-F604 HydrophobicContact CG-CB 3.62Å; M598-F604 HydrophobicContact CG-CD1 3.61Å; M598-F604 HydrophobicContact CG-CE1 4.44Å; M598-F604 HydrophobicContact CG-CG 3.72Å; M598-F604 HydrophobicContact SD-CD1 3.77Å; M598-F604 HydrophobicContact SD-CE1 4.4Å; M598-F604 HydrophobicContact SD-CG 4.46Å; Y601-F604 HydrophobicContact CD2-CD2 4.41Å; Y601-F604 HydrophobicContact CD2-CE2 4.35Å; Y601-F604 HydrophobicContact CG-CD2 4.12Å; Y601-F604 HydrophobicContact CG-CE2 4.19Å; Y601-F604 PolarHBondContact O-N 2.8Å; Y601-F604 VanDerWaalsContact O-N 3.12Å; V602-F604 PolarHBondContact O-N 3.14Å; F604-N632 WeakPolarHBondContact CD1-O 3.4Å; F604-N632 PolarHBondContact O-N 3.41Å; F604-P634 HydrophobicContact CD1-CG 4.34Å; F604-P634 HydrophobicContact CD2-CG 4.4Å; F604-P634 HydrophobicContact CE1-CG 4.2Å; F604-P634 HydrophobicContact CE2-CG 4.29Å; F604-P634 HydrophobicContact CG-CG 4.44Å; F604-P634 HydrophobicContact CZ-CG 4.18Å; F604-Y635 AromaticContact CE2-CE2 3.97Å; F604-Y635 HydrophobicContact CE2-CE2 3.97Å; F604-Y635 HydrophobicContact CZ-CD2 4.07Å; F604-Y635 AromaticContact CZ-CE2 3.81Å; F604-Y635 HydrophobicContact CZ-CE2 3.81Å
605N74.4Confident60.1Low54 Ų5485.8 Ų85.829%0.28946%0.456SS..Hα-helixtrans-97.9-11.3-175.5-69.2-15.3000114.1D599 V602 N607 N608 Y631D599-N605 PolarHBondContact O-ND2 3.04Å; V602-N605 PolarHBondContact O-N 3.22Å; N605-N607 PolarHBondContact O-N 3.27Å; N605-N608 PolarHBondContact O-N 3.25Å; N605-Y631 WeakPolarHBondContact OD1-CE1 3.24Å
606T62.4Low57Low79 Ų7986.1 Ų86.149%0.48547%0.474SS..THydrogen-bonded Turntrans-56.2-27.4-167.9-11.60000115.1V602 E603V602-T606 PolarHBondContact O-N 3.19Å; V602-T606 PolarHBondContact O-OG1 2.87Å; E603-T606 PolarHBondContact O-OG1 3.37Å
607N51.5Low54Low87 Ų8786.7 Ų86.747%0.46548%0.483SS..THydrogen-bonded Turntrans-81.9-10.3-179.4-86.72.9000115.1N605N605-N607 PolarHBondContact O-N 3.27Å
608N45.7Very low51Low77 Ų7791.8 Ų91.841%0.41252%0.515SS..THydrogen-bonded Turntrans-77.2-29.6177.7-89.50.8000112.9N605N605-N608 PolarHBondContact O-N 3.25Å
609N40.7Very low48.2Very low94 Ų9497.4 Ų97.450%0.50355%0.546SS..SBendtrans-78.3-24.5-175.2-74.11.7000113.7T612N609-T612 PolarHBondContact O-OG1 3Å
610N35.6Very low45.8Very low111 Ų11197.8 Ų97.859%0.59456%0.556SS**G310 helixtrans-83.8-16.2-179.4-73.2-4000113.7
611N31.8Very low43.2Very low137 Ų13795.6 Ų95.673%0.73357%0.568SS**G310 helixtrans-90.5-1.6178.4-77.8-4.6000113.8
612T30.3Very low41Very low117 Ų11798.3 Ų98.372%0.71859%0.592SS**G310 helixtrans-96.8-0.3173.939.20000114.5N609N609-T612 PolarHBondContact O-OG1 3Å
613T28.5Very low38.7Very low110 Ų110103.8 Ų103.868%0.67562%0.62SS**SBendtrans-116.57.9-176.444.70000115.7
614T26.3Very low36.7Very low107 Ų107107.7 Ų107.766%0.65665%0.648SS**SBendtrans-134.857.7179.348.30000113.1
615S24.8Very low34.4Very low118 Ų118112.5 Ų112.583%0.82568%0.683SS**  trans-166.868160.2-75.20000112.7
616T25.5Very low32.5Very low142 Ų142118.4 Ų118.487%0.87171%0.713SS**  trans-132.961.4155.544.80000110.4
617T27Very low31.2Very low132 Ų132119.5 Ų119.581%0.8172%0.724SS**SBendtrans-153.381.3146.136.20000107.9
618T25.3Very low30.8Very low136 Ų136120.4 Ų120.483%0.83474%0.737SS**  trans170.8121.8135.732.90000109.2S620T618-S620 PolarHBondContact O-N 3Å
619N23.7Very low31Very low161 Ų161121.7 Ų121.786%0.86174%0.743SS**  trans-55.4107.5172.7-71-21.8000110.4
620S27.5Very low31.8Very low96 Ų96126 Ų12667%0.67176%0.757SS**  trans-143115.7151.456.50000108.8T618 S622T618-S620 PolarHBondContact O-N 3Å; S620-S622 PolarHBondContact O-N 3.28Å; S620-S622 VanDerWaalsContact O-N 3.15Å
621S25Very low33.3Very low131 Ų131124.3 Ų124.392%0.91674%0.742SS**  trans-59.8106.8171.447.90000109.8
622S30.3Very low35.5Very low96 Ų96120.3 Ų120.367%0.67172%0.721SS**  trans-131.398.4164.857.80000109.8S620 S624S620-S622 PolarHBondContact O-N 3.28Å; S620-S622 VanDerWaalsContact O-N 3.15Å; S622-S624 PolarHBondContact O-N 3.27Å
623N24.9Very low37.9Very low173 Ų173120.9 Ų120.993%0.92571%0.71SS**  trans-53.3121.9153.4-81.1-26000109.1
624S32Very low40.4Very low96 Ų96116.8 Ų116.867%0.67169%0.686SS**  trans-152104.6157.152.20000111.4S622S622-S624 PolarHBondContact O-N 3.27Å
625S30.2Very low43.2Very low108 Ų108111.9 Ų111.976%0.75566%0.655SS**  trans2.6120.9141.852.70000117.4S627S625-S627 PolarHBondContact O-N 3.49Å
626I33.4Very low46.1Very low179 Ų179108.6 Ų108.692%0.91863%0.628SS**  trans8.876.9153.5-51.2174.2000113S628I626-S628 PolarHBondContact O-N 3.07Å
627S36.1Very low48.8Very low102 Ų102106.9 Ų106.971%0.71361%0.61SS**  trans-68.9117.4168.257.90000107.6S625 I629S625-S627 PolarHBondContact O-N 3.49Å; S627-I629 PolarHBondContact O-N 2.91Å; S627-I629 VanDerWaalsContact O-N 3.14Å
628S42.3Very low51.7Low105 Ų105102.1 Ų102.173%0.73459%0.587SS**  trans-42.6119.7172.155.30000110.7I626 K630I626-S628 PolarHBondContact O-N 3.07Å; S628-K630 PolarHBondContact O-N 3.44Å
629I49.7Very low54.8Low105 Ų10599.3 Ų99.354%0.53857%0.566SS.*  trans-55.6111176.9-62.5168000108.2S627 Y631S627-I629 PolarHBondContact O-N 2.91Å; S627-I629 VanDerWaalsContact O-N 3.14Å; I629-Y631 HydrophobicContact CB-CE2 4.31Å; I629-Y631 HydrophobicContact CG2-CD2 4.26Å; I629-Y631 HydrophobicContact CG2-CE1 4.16Å; I629-Y631 HydrophobicContact CG2-CE2 3.89Å; I629-Y631 PolarHBondContact O-N 3.49Å
630K57.2Low57.8Low184 Ų184101.1 Ų101.180%0.856%0.561SS**  trans-91.895.2-178-165.9179.4-176.6-177.70108.8S628S628-K630 PolarHBondContact O-N 3.44Å
631Y68.3Low60.6Low75 Ų75103.3 Ų103.329%0.29456%0.555SS.*  trans-64.4146.7176.1-64.5-85.8000111.9M598 N605 I629M598-Y631 HydrophobicContact CE-CD1 4.23Å; M598-Y631 HydrophobicContact CE-CD2 3.2Å; M598-Y631 HydrophobicContact CE-CE2 3.79Å; M598-Y631 HydrophobicContact CE-CG 3.44Å; M598-Y631 VanDerWaalsContact CE-CG 3.44Å; M598-Y631 HydrophobicContact CG-CD1 3.8Å; M598-Y631 HydrophobicContact CG-CD2 4.47Å; M598-Y631 HydrophobicContact CG-CE1 4.38Å; M598-Y631 HydrophobicContact CG-CG 3.83Å; M598-Y631 WeakPolarHBondContact SD-CB 3.38Å; M598-Y631 HydrophobicContact SD-CD1 4.3Å; M598-Y631 HydrophobicContact SD-CD2 4.12Å; M598-Y631 HydrophobicContact SD-CG 3.71Å; N605-Y631 WeakPolarHBondContact OD1-CE1 3.24Å; I629-Y631 HydrophobicContact CB-CE2 4.31Å; I629-Y631 HydrophobicContact CG2-CD2 4.26Å; I629-Y631 HydrophobicContact CG2-CE1 4.16Å; I629-Y631 HydrophobicContact CG2-CE2 3.89Å; I629-Y631 PolarHBondContact O-N 3.49Å
632N76.7Confident63.7Low53 Ų5397.1 Ų97.128%0.28351%0.511SS..  trans-71.8151.5174.8-164.813.9000110.4F604 P634F604-N632 WeakPolarHBondContact CD1-O 3.4Å; F604-N632 PolarHBondContact O-N 3.41Å; N632-P634 VanDerWaalsContact C-CD 3.49Å; N632-P634 VanDerWaalsContact O-CD 3.25Å; N632-P634 WeakPolarHBondContact O-CD 3.31Å
633R81Confident66.5Low130 Ų13094.4 Ų94.449%0.49149%0.489SS..  trans-114.477.8174.7-63.8-176-172169.80.4109.4L588 Y635 D636L588-R633 VanDerWaalsContact CD2-NH1 3.32Å; R633-Y635 PolarHBondContact O-N 3.09Å; R633-Y635 VanDerWaalsContact O-N 3.14Å; R633-D636 HydrophobicContact CB-CB 3.8Å; R633-D636 IonicContact NH1-OD2 3.45Å; R633-D636 PolarHBondContact O-N 3.13Å
634P80.6Confident69.4Low24 Ų2488.8 Ų88.816%0.15646%0.459CS..THydrogen-bonded Turntrans-64.5-22.5-169.225.4-35.3000114.1E603 F604 N632 M668E603-P634 HydrophobicContact CB-CG 4.36Å; E603-P634 HydrophobicContact CG-CG 4.42Å; F604-P634 HydrophobicContact CD1-CG 4.34Å; F604-P634 HydrophobicContact CD2-CG 4.4Å; F604-P634 HydrophobicContact CE1-CG 4.2Å; F604-P634 HydrophobicContact CE2-CG 4.29Å; F604-P634 HydrophobicContact CG-CG 4.44Å; F604-P634 HydrophobicContact CZ-CG 4.18Å; N632-P634 VanDerWaalsContact C-CD 3.49Å; N632-P634 VanDerWaalsContact O-CD 3.25Å; N632-P634 WeakPolarHBondContact O-CD 3.31Å; P634-M668 HydrophobicContact CB-CE 3.86Å
635Y85.5Confident71.9Confident4 Ų486.2 Ų86.22%0.01644%0.437CS..THydrogen-bonded Turntrans-104.2-4.5-176.5-48.4-52.5000113.6R472 N589 F604 R633 H637 W662 M668 L671R472-Y635 HydrophobicContact CG-CD2 4.31Å; R472-Y635 HydrophobicContact CG-CE1 4.33Å; R472-Y635 HydrophobicContact CG-CE2 3.6Å; N589-Y635 WeakPolarHBondContact CB-O 3.34Å; N589-Y635 PolarHBondContact ND2-O 3.46Å; F604-Y635 AromaticContact CE2-CE2 3.97Å; F604-Y635 HydrophobicContact CE2-CE2 3.97Å; F604-Y635 HydrophobicContact CZ-CD2 4.07Å; F604-Y635 AromaticContact CZ-CE2 3.81Å; F604-Y635 HydrophobicContact CZ-CE2 3.81Å; R633-Y635 PolarHBondContact O-N 3.09Å; R633-Y635 VanDerWaalsContact O-N 3.14Å; Y635-H637 PolarHBondContact O-CD2 3.44Å; Y635-H637 PolarHBondContact O-N 3.13Å; Y635-W662 AromaticContact CD1-CH2 3.56Å; Y635-W662 HydrophobicContact CD1-CH2 3.56Å; Y635-W662 HydrophobicContact CD1-CZ2 4.48Å; Y635-W662 HydrophobicContact CD1-CZ3 4.14Å; Y635-W662 AromaticContact CE1-CH2 3.79Å; Y635-W662 HydrophobicContact CE1-CH2 3.79Å; Y635-W662 AromaticContact CE1-CZ3 3.87Å; Y635-W662 HydrophobicContact CE1-CZ3 3.87Å; Y635-W662 HydrophobicContact CG-CH2 4.25Å; Y635-M668 HydrophobicContact CD1-CE 4.46Å; Y635-M668 HydrophobicContact CE1-CE 4.04Å; Y635-M668 HydrophobicContact CE1-SD 3.71Å; Y635-L671 HydrophobicContact CD1-CD1 4.49Å; Y635-L671 HydrophobicContact CE1-CD1 4.37Å
636D85.5Confident74.6Confident48 Ų4881.7 Ų81.726%0.25740%0.404SS..  trans-76.6118.3-179.6-1768.7000110R633 G638 N642R633-D636 HydrophobicContact CB-CB 3.8Å; R633-D636 IonicContact NH1-OD2 3.45Å; R633-D636 PolarHBondContact O-N 3.13Å; D636-G638 PolarHBondContact OD1-N 3.3Å; D636-N642 PolarHBondContact OD1-ND2 3.12Å
637H83.2Confident77.2Confident107 Ų10776.3 Ų76.350%0.49538%0.377SS..  trans-112.312.9178.5-58.9-47.5000112.2Y635 R641 N642Y635-H637 PolarHBondContact O-CD2 3.44Å; Y635-H637 PolarHBondContact O-N 3.13Å; H637-R641 HydrophobicContact CB-CB 3.86Å; H637-R641 WeakPolarHBondContact O-CD 3.35Å; H637-N642 PolarHBondContact N-OD1 3.34Å
638G86.6Confident79.1Confident32 Ų3273.2 Ų73.233%0.3336%0.362SS..  trans91.6153.7-175.100000113.3D636 W640 R641 N642D636-G638 PolarHBondContact OD1-N 3.3Å; G638-W640 PolarHBondContact O-N 2.84Å; G638-R641 PolarHBondContact O-N 3.14Å; G638-N642 PolarHBondContact O-N 3.16Å; G638-N642 PolarHBondContact O-ND2 3.05Å; G638-N642 PolarHBondContact O-OD1 3.36Å
639I90.9Very high80.4Confident76 Ų7673.4 Ų73.439%0.3935%0.354SS..Hα-helixtrans-47.1-52.9-169-63.9171.4000112.9V586 W587 N642 L643V586-I639 HydrophobicContact CG1-CG2 3.71Å; W587-I639 HydrophobicContact CG-CG1 4.44Å; I639-N642 PolarHBondContact O-N 2.83Å; I639-L643 WeakPolarHBondContact O-CB 3.5Å; I639-L643 PolarHBondContact O-N 3.31Å
640W87.7Confident80.7Confident199 Ų19970.6 Ų70.675%0.75434%0.342SS*.Hα-helixtrans-66.8-39.8-176.9-71.3114000113G638 L643 L644G638-W640 PolarHBondContact O-N 2.84Å; W640-L643 HydrophobicContact CE3-CD2 4.27Å; W640-L643 HydrophobicContact CZ3-CD2 4.23Å; W640-L643 PolarHBondContact O-N 2.82Å; W640-L644 WeakPolarHBondContact O-CB 3.38Å; W640-L644 VanDerWaalsContact O-CG 3.28Å; W640-L644 WeakPolarHBondContact O-CG 3.46Å; W640-L644 PolarHBondContact O-N 2.95Å
641R84.9Confident80.1Confident143 Ų14364.3 Ų64.354%0.5433%0.329SS..Hα-helixtrans-69.6-41.9179-67.3-169.6178.2-179.3-1.1111.3H637 G638 L643 L644 D645H637-R641 HydrophobicContact CB-CB 3.86Å; H637-R641 WeakPolarHBondContact O-CD 3.35Å; G638-R641 PolarHBondContact O-N 3.14Å; R641-L643 VanDerWaalsContact C-N 3.32Å; R641-L643 PolarHBondContact O-N 3.41Å; R641-L644 PolarHBondContact O-N 3.45Å; R641-D645 WeakPolarHBondContact O-CB 3.43Å; R641-D645 PolarHBondContact O-N 3Å
642N89.8Confident78.8Confident0 Ų070.3 Ų70.30%036%0.357CS..Hα-helixtrans-62.6-40.5176.4-61.4-16.6000111.5V586 N589 D636 H637 G638 I639 L646V586-N642 VanDerWaalsContact O-CB 3.28Å; V586-N642 WeakPolarHBondContact O-CB 3.28Å; V586-N642 PolarHBondContact O-ND2 3.29Å; N589-N642 HydrophobicContact CB-CB 4.33Å; D636-N642 PolarHBondContact OD1-ND2 3.12Å; H637-N642 PolarHBondContact N-OD1 3.34Å; G638-N642 PolarHBondContact O-N 3.16Å; G638-N642 PolarHBondContact O-ND2 3.05Å; G638-N642 PolarHBondContact O-OD1 3.36Å; I639-N642 PolarHBondContact O-N 2.83Å; N642-L646 WeakPolarHBondContact O-CB 3.34Å; N642-L646 PolarHBondContact O-N 3.42Å
643L89.5Confident77Confident40 Ų4072.2 Ų72.221%0.20937%0.366CS..Hα-helixtrans-64.1-43.5175.6179.761.5000112F582 V586 I639 W640 R641 L646 I647F582-L643 HydrophobicContact CE2-CD1 4.35Å; V586-L643 HydrophobicContact CG1-CB 4.43Å; V586-L643 HydrophobicContact CG2-CB 4.45Å; V586-L643 HydrophobicContact CG2-CD1 3.95Å; I639-L643 WeakPolarHBondContact O-CB 3.5Å; I639-L643 PolarHBondContact O-N 3.31Å; W640-L643 HydrophobicContact CE3-CD2 4.27Å; W640-L643 HydrophobicContact CZ3-CD2 4.23Å; W640-L643 PolarHBondContact O-N 2.82Å; R641-L643 VanDerWaalsContact C-N 3.32Å; R641-L643 PolarHBondContact O-N 3.41Å; L643-L646 WeakPolarHBondContact O-CB 3.5Å; L643-L646 PolarHBondContact O-N 2.89Å; L643-I647 HydrophobicContact CD1-CD1 3.99Å; L643-I647 HydrophobicContact CD1-CG1 4.41Å; L643-I647 HydrophobicContact CG-CD1 3.95Å; L643-I647 VanDerWaalsContact O-CG1 3.29Å; L643-I647 WeakPolarHBondContact O-CG1 3.36Å; L643-I647 PolarHBondContact O-N 3.03Å
644L86.2Confident75.2Confident55 Ų5572.3 Ų72.329%0.28837%0.374SS..Hα-helixtrans-65.2-41.6177.4-74.4175.1000112.5W640 R641 L646 I647 G648 L649W640-L644 WeakPolarHBondContact O-CB 3.38Å; W640-L644 VanDerWaalsContact O-CG 3.28Å; W640-L644 WeakPolarHBondContact O-CG 3.46Å; W640-L644 PolarHBondContact O-N 2.95Å; R641-L644 PolarHBondContact O-N 3.45Å; L644-L646 VanDerWaalsContact C-N 3.35Å; L644-I647 PolarHBondContact O-N 3.24Å; L644-G648 PolarHBondContact O-N 2.82Å; L644-L649 WeakPolarHBondContact CB-O 3.34Å; L644-L649 HydrophobicContact CD2-CB 4.46Å; L644-L649 PolarHBondContact O-N 3.06Å
645D84.8Confident73.6Confident42 Ų4274.1 Ų74.123%0.22538%0.382CS..Hα-helixtrans-60.5-43.8172.818055.4000111.3R485 R641 I647 G648R485-D645 IonicContact CZ-OD2 3.52Å; R485-D645 IonicContact NH1-OD2 3.43Å; R485-D645 PolarHBondContact NH1-OD2 3.37Å; R485-D645 IonicContact NH2-OD2 3.49Å; R641-D645 WeakPolarHBondContact O-CB 3.43Å; R641-D645 PolarHBondContact O-N 3Å; D645-I647 PolarHBondContact O-N 3.06Å; D645-G648 PolarHBondContact O-N 2.94Å; D645-G648 VanDerWaalsContact O-N 3.15Å
646L87Confident71.9Confident12 Ų1276.3 Ų76.36%0.06340%0.398CS..Hα-helixtrans-60.8-42.6176.117866.1000112.2H502 F503 I506 M585 V586 N642 L643 L644 G648H502-L646 HydrophobicContact CB-CD1 4.41Å; F503-L646 HydrophobicContact CB-CD1 4.44Å; F503-L646 WeakPolarHBondContact CB-O 3.25Å; F503-L646 HydrophobicContact CD2-CG 4.2Å; I506-L646 HydrophobicContact CD1-CD1 4.06Å; I506-L646 HydrophobicContact CD1-CD2 3.69Å; I506-L646 HydrophobicContact CD1-CG 4.47Å; M585-L646 HydrophobicContact CB-CD1 4.18Å; M585-L646 HydrophobicContact CB-CD2 3.9Å; M585-L646 HydrophobicContact CG-CD1 4.1Å; V586-L646 HydrophobicContact CG2-CD2 4.29Å; N642-L646 WeakPolarHBondContact O-CB 3.34Å; N642-L646 PolarHBondContact O-N 3.42Å; L643-L646 WeakPolarHBondContact O-CB 3.5Å; L643-L646 PolarHBondContact O-N 2.89Å; L644-L646 VanDerWaalsContact C-N 3.35Å; L646-G648 PolarHBondContact O-N 3.12Å
647I87.4Confident70.3Confident66 Ų6681.2 Ų81.234%0.33843%0.425SS..Hα-helixtrans-71.9-20.6179.1-64.2164.6000111.5F503 L643 L644 D645 L649F503-I647 HydrophobicContact CD2-CG1 4.2Å; F503-I647 HydrophobicContact CE2-CB 4.47Å; F503-I647 HydrophobicContact CE2-CG1 3.74Å; F503-I647 HydrophobicContact CZ-CG1 4.32Å; L643-I647 HydrophobicContact CD1-CD1 3.99Å; L643-I647 HydrophobicContact CD1-CG1 4.41Å; L643-I647 HydrophobicContact CG-CD1 3.95Å; L643-I647 VanDerWaalsContact O-CG1 3.29Å; L643-I647 WeakPolarHBondContact O-CG1 3.36Å; L643-I647 PolarHBondContact O-N 3.03Å; L644-I647 PolarHBondContact O-N 3.24Å; D645-I647 PolarHBondContact O-N 3.06Å; I647-L649 HydrophobicContact CG2-CB 4.49Å; I647-L649 HydrophobicContact CG2-CD1 3.81Å; I647-L649 HydrophobicContact CG2-CG 4.01Å
648G76.5Confident69.4Low38 Ų3883.4 Ų83.439%0.39243%0.433SS..THydrogen-bonded Turntrans82.323.2-174.500000113.6L644 D645 L646 P650L644-G648 PolarHBondContact O-N 2.82Å; D645-G648 PolarHBondContact O-N 2.94Å; D645-G648 VanDerWaalsContact O-N 3.15Å; L646-G648 PolarHBondContact O-N 3.12Å; G648-P650 VanDerWaalsContact O-CD 3.29Å; G648-P650 WeakPolarHBondContact O-CD 3.49Å
649L70.5Confident68.7Low109 Ų10985.6 Ų85.657%0.57144%0.441SS*.  trans-113.381.6176.5-71.1173.3000110.7L644 I647 G651L644-L649 WeakPolarHBondContact CB-O 3.34Å; L644-L649 HydrophobicContact CD2-CB 4.46Å; L644-L649 PolarHBondContact O-N 3.06Å; I647-L649 HydrophobicContact CG2-CB 4.49Å; I647-L649 HydrophobicContact CG2-CD1 3.81Å; I647-L649 HydrophobicContact CG2-CG 4.01Å; L649-G651 PolarHBondContact O-N 3.43Å
650P55.1Low68.3Low46 Ų4684.1 Ų84.130%0.29944%0.435SS..  trans-76.493.5170.130.2-28.7000108.3G648 K658 P659G648-P650 VanDerWaalsContact O-CD 3.29Å; G648-P650 WeakPolarHBondContact O-CD 3.49Å; P650-K658 VanDerWaalsContact CG-C 3.47Å; P650-P659 HydrophobicContact CG-CB 4.26Å
651G45.2Very low68.2Low51 Ų5176.4 Ų76.453%0.52641%0.409SS..  trans-139.75.9-164.700000118.7L649L649-G651 PolarHBondContact O-N 3.43Å
652F41.1Very low68.3Low202 Ų20269.9 Ų69.989%0.88638%0.384SS*.SBendtrans-13532.1174.8-88.2-81.5000113.6
653I38.5Very low68.2Low92 Ų9272.7 Ų72.747%0.47240%0.395SS..SBendtrans-111.3126.5160.1-60.4174.7000105.9N655I653-N655 PolarHBondContact O-N 3.29Å
654M42.3Very low68Low132 Ų13275.7 Ų75.765%0.6541%0.408SS*.THydrogen-bonded Turntrans-60.317.9173.9-91.3-163.4171.700114.9V689M654-V689 HydrophobicContact CE-CG1 3.97Å
655N46.8Very low67.9Low62 Ų6273.2 Ų73.233%0.33240%0.395SS..THydrogen-bonded Turntrans-162.526.3-178.5-103.3-11.2000118I653I653-N655 PolarHBondContact O-N 3.29Å
656S49.8Very low67.6Low50 Ų5072.8 Ų72.835%0.3539%0.391SS..  trans-152.5115.9161.6176.10000111.5
657N51.6Low67.2Low151 Ų15176.3 Ų76.381%0.80741%0.408SS*.  trans-95.67.5-175.9-76.7-8.5000114.1
658K65Low66.6Low154 Ų15475.9 Ų75.967%0.6741%0.405SS*.SBendtrans-134.9141.7-174.8-68.1-174.6-178.8178.20113.1P650P650-K658 VanDerWaalsContact CG-C 3.47Å
659P72.4Confident66.4Low77 Ų7779.4 Ų79.450%0.541%0.411SS..  trans-67.8148.1177.726.6-33.3000110P650 D661P650-P659 HydrophobicContact CG-CB 4.26Å; P659-D661 PolarHBondContact O-N 2.69Å
660V81.6Confident66.3Low45 Ų4577.3 Ų77.327%0.27340%0.399SS..  trans-69.2116.8-178.9179.10000109.8W662 I665 L671V660-W662 HydrophobicContact CG1-CD2 4.2Å; V660-W662 HydrophobicContact CG1-CG 4.5Å; V660-W662 HydrophobicContact CG1-CZ2 4.29Å; V660-W662 PolarHBondContact O-N 3.14Å; V660-I665 HydrophobicContact CG1-CG1 4.07Å; V660-L671 HydrophobicContact CG1-CD2 4.04Å
661D85.5Confident67Low37 Ų3776.9 Ų76.920%0.19839%0.393CS..  trans-83.989.4172.8-167.4-9.2000110.9M499 P659 R663 Q664M499-D661 WeakPolarHBondContact CE-OD1 3.49Å; P659-D661 PolarHBondContact O-N 2.69Å; D661-R663 PolarHBondContact O-N 3.18Å; D661-R663 VanDerWaalsContact OD1-CB 3.25Å; D661-R663 WeakPolarHBondContact OD1-CB 3.47Å; D661-R663 WeakPolarHBondContact OD1-CG 3.48Å; D661-R663 IonicContact OD1-CZ 3.48Å; D661-R663 PolarHBondContact OD1-N 3.28Å; D661-R663 IonicContact OD1-NE 3.64Å; D661-R663 PolarHBondContact OD1-NE 2.92Å; D661-R663 IonicContact OD1-NH2 3.56Å; D661-R663 IonicContact OD2-CZ 3.94Å; D661-R663 IonicContact OD2-NE 3.66Å; D661-R663 PolarHBondContact OD2-NE 3.38Å; D661-R663 IonicContact OD2-NH2 3.46Å; D661-R663 PolarHBondContact OD2-NH2 3.25Å; D661-Q664 PolarHBondContact O-N 3.3Å
662W88.6Confident67.7Low7 Ų779.8 Ų79.83%0.02740%0.397CS..THydrogen-bonded Turntrans-57.2-6.9174-56.492.3000115.3P470 L471 R472 A484 M499 Y635 V660 Q664 I665 L671P470-W662 WeakPolarHBondContact CB-O 3.47Å; L471-W662 HydrophobicContact CB-CE3 4.45Å; L471-W662 HydrophobicContact CB-CZ3 4.48Å; R472-W662 HydrophobicContact CB-CE3 4.41Å; R472-W662 VanDerWaalsContact CD-CE3 3.47Å; R472-W662 VanDerWaalsContact CD-CZ3 3.4Å; R472-W662 HydrophobicContact CG-CD2 4.49Å; R472-W662 HydrophobicContact CG-CE3 3.92Å; R472-W662 HydrophobicContact CG-CZ3 3.97Å; A484-W662 HydrophobicContact CB-CB 4.39Å; M499-W662 VanDerWaalsContact CE-CA 3.41Å; M499-W662 HydrophobicContact CE-CB 3.28Å; M499-W662 HydrophobicContact CE-CG 3.99Å; Y635-W662 AromaticContact CD1-CH2 3.56Å; Y635-W662 HydrophobicContact CD1-CH2 3.56Å; Y635-W662 HydrophobicContact CD1-CZ2 4.48Å; Y635-W662 HydrophobicContact CD1-CZ3 4.14Å; Y635-W662 AromaticContact CE1-CH2 3.79Å; Y635-W662 HydrophobicContact CE1-CH2 3.79Å; Y635-W662 AromaticContact CE1-CZ3 3.87Å; Y635-W662 HydrophobicContact CE1-CZ3 3.87Å; Y635-W662 HydrophobicContact CG-CH2 4.25Å; V660-W662 HydrophobicContact CG1-CD2 4.2Å; V660-W662 HydrophobicContact CG1-CG 4.5Å; V660-W662 HydrophobicContact CG1-CZ2 4.29Å; V660-W662 PolarHBondContact O-N 3.14Å; W662-Q664 PolarHBondContact O-N 3.27Å; W662-I665 HydrophobicContact CE3-CB 4.28Å; W662-I665 HydrophobicContact CE3-CG2 4.3Å; W662-I665 HydrophobicContact CZ3-CG2 4.26Å; W662-L671 HydrophobicContact CH2-CD1 4.09Å; W662-L671 HydrophobicContact CH2-CD2 4Å; W662-L671 HydrophobicContact CZ3-CD1 4.23Å; W662-L671 HydrophobicContact CZ3-CD2 4.13Å
663R88Confident68Low58 Ų5874.1 Ų74.122%0.21938%0.375CS..THydrogen-bonded Turntrans-74.4-15.6172.7-63.2171.4-67.11717.5112.5Y407 I411 P470 A484 M499 D661Y407-R663 WeakPolarHBondContact O-CD 3.22Å; I411-R663 HydrophobicContact CD1-CB 3.49Å; I411-R663 VanDerWaalsContact CD1-CB 3.49Å; I411-R663 HydrophobicContact CD1-CG 4.26Å; P470-R663 WeakPolarHBondContact CG-O 3.44Å; A484-R663 HydrophobicContact CB-CB 4.39Å; A484-R663 HydrophobicContact CB-CG 3.48Å; A484-R663 VanDerWaalsContact CB-CG 3.48Å; M499-R663 HydrophobicContact CE-CG 3.99Å; D661-R663 PolarHBondContact O-N 3.18Å; D661-R663 VanDerWaalsContact OD1-CB 3.25Å; D661-R663 WeakPolarHBondContact OD1-CB 3.47Å; D661-R663 WeakPolarHBondContact OD1-CG 3.48Å; D661-R663 IonicContact OD1-CZ 3.48Å; D661-R663 PolarHBondContact OD1-N 3.28Å; D661-R663 IonicContact OD1-NE 3.64Å; D661-R663 PolarHBondContact OD1-NE 2.92Å; D661-R663 IonicContact OD1-NH2 3.56Å; D661-R663 IonicContact OD2-CZ 3.94Å; D661-R663 IonicContact OD2-NE 3.66Å; D661-R663 PolarHBondContact OD2-NE 3.38Å; D661-R663 IonicContact OD2-NH2 3.46Å; D661-R663 PolarHBondContact OD2-NH2 3.25Å
664Q83.7Confident68.3Low104 Ų10473.7 Ų73.749%0.48637%0.371SS..THydrogen-bonded Turntrans-113.2-10.8-176.8-61-177.2-5.700113.7I411 D661 W662 H666I411-Q664 HydrophobicContact CD1-CG 4.23Å; D661-Q664 PolarHBondContact O-N 3.3Å; W662-Q664 PolarHBondContact O-N 3.27Å; Q664-H666 PolarHBondContact O-CD2 2.91Å
665I83.9Confident68.2Low3 Ų370.7 Ų70.72%0.01536%0.363CS..  trans-87.1114-178.4-58.6-56.6000109.4P470 L471 V660 W662 Q670 L671P470-I665 CarbonylContact C-O 3.5Å; P470-I665 VanDerWaalsContact CA-O 3.27Å; P470-I665 WeakPolarHBondContact CA-O 2.72Å; P470-I665 VanDerWaalsContact CB-O 3.31Å; P470-I665 WeakPolarHBondContact CB-O 3.48Å; L471-I665 HydrophobicContact CB-CG2 4.22Å; L471-I665 WeakPolarHBondContact CB-O 3.47Å; L471-I665 HydrophobicContact CD1-CG2 3.77Å; L471-I665 HydrophobicContact CG-CG2 4.25Å; L471-I665 PolarHBondContact N-O 3.37Å; V660-I665 HydrophobicContact CG1-CG1 4.07Å; W662-I665 HydrophobicContact CE3-CB 4.28Å; W662-I665 HydrophobicContact CE3-CG2 4.3Å; W662-I665 HydrophobicContact CZ3-CG2 4.26Å; I665-Q670 HydrophobicContact CD1-CB 4.09Å; I665-L671 HydrophobicContact CD1-CD2 4.45Å; I665-L671 HydrophobicContact CG1-CD2 4.33Å; I665-L671 HydrophobicContact CG2-CD2 4.1Å; I665-L671 HydrophobicContact CG2-CG 4.15Å
666H80.2Confident67.4Low32 Ų3270.7 Ų70.715%0.14837%0.368CS..  trans-111.8-17.6179.9-65.9-76.4000114.4R460 R468 K469 Q664R460-H666 PolarHBondContact NH1-O 3.34Å; R468-H666 PolarHBondContact O-CE1 2.91Å; K469-H666 PolarHBondContact O-ND1 3.25Å; Q664-H666 PolarHBondContact O-CD2 2.91Å
667Q76.8Confident66.4Low87 Ų8773.5 Ų73.541%0.40738%0.378SS..SBendtrans-140.3153.4-176.6-75178.4-10.900110.7L471 E669 Q670L471-Q667 VanDerWaalsContact CD1-C 3.45Å; Q667-E669 VanDerWaalsContact C-N 3.27Å; Q667-E669 WeakPolarHBondContact CB-OE2 3.22Å; Q667-E669 PolarHBondContact O-N 3.31Å; Q667-Q670 HydrophobicContact CB-CG 4.46Å; Q667-Q670 VanDerWaalsContact N-OE1 3.17Å; Q667-Q670 PolarHBondContact O-N 3.02Å
668M76.7Confident65.6Low56 Ų5672.3 Ų72.328%0.27636%0.363SS..THydrogen-bonded Turntrans-68.3-30.9-176.3-72.5-59.5-62.400111.6L471 E603 P634 Y635 Q670 L671L471-M668 HydrophobicContact CD1-CG 4.28Å; L471-M668 HydrophobicContact CD1-SD 3.74Å; E603-M668 HydrophobicContact CB-CG 4.5Å; E603-M668 HydrophobicContact CB-SD 4.45Å; P634-M668 HydrophobicContact CB-CE 3.86Å; Y635-M668 HydrophobicContact CD1-CE 4.46Å; Y635-M668 HydrophobicContact CE1-CE 4.04Å; Y635-M668 HydrophobicContact CE1-SD 3.71Å; M668-Q670 PolarHBondContact O-N 2.81Å; M668-L671 HydrophobicContact CE-CD1 3.78Å; M668-L671 WeakPolarHBondContact O-CB 3.41Å; M668-L671 PolarHBondContact O-N 2.94Å; M668-L671 VanDerWaalsContact O-N 3.1Å; M668-L671 HydrophobicContact SD-CD1 4.04Å
669E70.7Confident64Low113 Ų11370.4 Ų70.453%0.52836%0.356SS..Hα-helixtrans-61.3-31178.8-63.575.9-167.300112.1Q667 L671 N672 I673Q667-E669 VanDerWaalsContact C-N 3.27Å; Q667-E669 WeakPolarHBondContact CB-OE2 3.22Å; Q667-E669 PolarHBondContact O-N 3.31Å; E669-L671 PolarHBondContact O-N 3.45Å; E669-N672 PolarHBondContact O-N 3.26Å; E669-I673 WeakPolarHBondContact O-CG1 3.15Å; E669-I673 PolarHBondContact O-N 3.13Å
670Q68.5Low61.9Low65 Ų6573.5 Ų73.530%0.30437%0.368SS..Hα-helixtrans-65.7-25.9177.7-67176.7-45.400112.5I665 Q667 M668 Q674I665-Q670 HydrophobicContact CD1-CB 4.09Å; Q667-Q670 HydrophobicContact CB-CG 4.46Å; Q667-Q670 VanDerWaalsContact N-OE1 3.17Å; Q667-Q670 PolarHBondContact O-N 3.02Å; M668-Q670 PolarHBondContact O-N 2.81Å; Q670-Q674 PolarHBondContact O-N 2.93Å
671L70Confident59.4Low36 Ų3679.2 Ų79.219%0.18839%0.392CS..Hα-helixtrans-69.4-35.1172.5-63.1169.4000111.3Y635 V660 W662 I665 M668 E669Y635-L671 HydrophobicContact CD1-CD1 4.49Å; Y635-L671 HydrophobicContact CE1-CD1 4.37Å; V660-L671 HydrophobicContact CG1-CD2 4.04Å; W662-L671 HydrophobicContact CH2-CD1 4.09Å; W662-L671 HydrophobicContact CH2-CD2 4Å; W662-L671 HydrophobicContact CZ3-CD1 4.23Å; W662-L671 HydrophobicContact CZ3-CD2 4.13Å; I665-L671 HydrophobicContact CD1-CD2 4.45Å; I665-L671 HydrophobicContact CG1-CD2 4.33Å; I665-L671 HydrophobicContact CG2-CD2 4.1Å; I665-L671 HydrophobicContact CG2-CG 4.15Å; M668-L671 HydrophobicContact CE-CD1 3.78Å; M668-L671 WeakPolarHBondContact O-CB 3.41Å; M668-L671 PolarHBondContact O-N 2.94Å; M668-L671 VanDerWaalsContact O-N 3.1Å; M668-L671 HydrophobicContact SD-CD1 4.04Å; E669-L671 PolarHBondContact O-N 3.45Å
672N60.5Low56.6Low112 Ų11284 Ų8460%0.59941%0.413SS*.Hα-helixtrans-77.4-37.7176.8-67.7-13.6000111.8E669 S675 S676E669-N672 PolarHBondContact O-N 3.26Å; N672-S675 WeakPolarHBondContact O-CA 3.37Å; N672-S675 WeakPolarHBondContact O-CB 3.43Å; N672-S675 PolarHBondContact O-N 3.16Å; N672-S675 PolarHBondContact O-OG 2.85Å; N672-S676 PolarHBondContact O-N 3.31Å; N672-S676 VanDerWaalsContact O-N 3.07Å
673I47Very low53.7Low84 Ų8492.3 Ų92.343%0.43145%0.451SS..Hα-helixtrans-67.9-36.6179.5-67.5167.1000111.7E669 S675 S676 I677E669-I673 WeakPolarHBondContact O-CG1 3.15Å; E669-I673 PolarHBondContact O-N 3.13Å; I673-S675 PolarHBondContact O-N 3.49Å; I673-S676 PolarHBondContact O-N 3.1Å; I673-S676 VanDerWaalsContact O-N 3.12Å; I673-S676 PolarHBondContact O-OG 3.31Å; I673-I677 HydrophobicContact CG2-CD1 3.39Å; I673-I677 HydrophobicContact CG2-CG1 3.78Å; I673-I677 WeakPolarHBondContact O-CG1 3.24Å; I673-I677 PolarHBondContact O-N 3.01Å
674Q44Very low50.9Low83 Ų8393.6 Ų93.639%0.38847%0.47SS..Hα-helixtrans-62.5-20.1169.9-78.4-174.8-16.100112.8Q670 Y678Q670-Q674 PolarHBondContact O-N 2.93Å; Q674-Y678 WeakPolarHBondContact O-CD2 3.35Å
675S41.5Very low48.4Very low69 Ų6995.9 Ų95.948%0.48349%0.485SS..Hα-helixtrans-86.1-29.9171.679.40000113.6N672 I673 H679N672-S675 WeakPolarHBondContact O-CA 3.37Å; N672-S675 WeakPolarHBondContact O-CB 3.43Å; N672-S675 PolarHBondContact O-N 3.16Å; N672-S675 PolarHBondContact O-OG 2.85Å; I673-S675 PolarHBondContact O-N 3.49Å; S675-H679 PolarHBondContact O-CD2 3.37Å
676S29.9Very low45.7Very low61 Ų61100.5 Ų100.543%0.42751%0.51SS..Hα-helixtrans-92.3-30.6-174.667.20000114.9N672 I673 Y678 H679N672-S676 PolarHBondContact O-N 3.31Å; N672-S676 VanDerWaalsContact O-N 3.07Å; I673-S676 PolarHBondContact O-N 3.1Å; I673-S676 VanDerWaalsContact O-N 3.12Å; I673-S676 PolarHBondContact O-OG 3.31Å; S676-Y678 PolarHBondContact O-N 3.07Å; S676-Y678 VanDerWaalsContact O-N 3.14Å; S676-H679 WeakPolarHBondContact O-CB 3.36Å; S676-H679 PolarHBondContact O-N 2.92Å
677I29Very low43.5Very low110 Ų110106.5 Ų106.556%0.56454%0.543SS*.THydrogen-bonded Turntrans-59.3-27.3177.7-71174.9000111.6I673I673-I677 HydrophobicContact CG2-CD1 3.39Å; I673-I677 HydrophobicContact CG2-CG1 3.78Å; I673-I677 WeakPolarHBondContact O-CG1 3.24Å; I673-I677 PolarHBondContact O-N 3.01Å
678Y34.9Very low41.4Very low125 Ų125108.8 Ų108.849%0.4956%0.558SS.*THydrogen-bonded Turntrans-82.4-15.8177.6-72.7-79.8000114.3Q674 S676 N680Q674-Y678 WeakPolarHBondContact O-CD2 3.35Å; S676-Y678 PolarHBondContact O-N 3.07Å; S676-Y678 VanDerWaalsContact O-N 3.14Å; Y678-N680 VanDerWaalsContact C-N 3.31Å; Y678-N680 PolarHBondContact O-N 2.92Å
679H30.8Very low39.5Very low115 Ų115109.2 Ų109.253%0.53256%0.563SS.*THydrogen-bonded Turntrans-70.9-23.4177.6-89.4-68.9000113.5S675 S676S675-H679 PolarHBondContact O-CD2 3.37Å; S676-H679 WeakPolarHBondContact O-CB 3.36Å; S676-H679 PolarHBondContact O-N 2.92Å
680N28.1Very low37.8Very low141 Ų141108.8 Ų108.875%0.75457%0.565SS**THydrogen-bonded Turntrans-87.7-4.5-175.8-80.4-12.5000115.3Y678Y678-N680 VanDerWaalsContact C-N 3.31Å; Y678-N680 PolarHBondContact O-N 2.92Å
681H30Very low36.2Very low166 Ų166113.2 Ų113.277%0.76958%0.583SS**SBendtrans-113.31.7-179.3-89.2-43.3000116.7
682H26.4Very low34.4Very low137 Ų137119.4 Ų119.463%0.63461%0.609SS**  trans-134.472.7173-77.9-66000111.2
683H27.9Very low33.3Very low181 Ų181120.1 Ų120.184%0.83861%0.612SS**  trans-106.914.2169.3-115.5-53.8000114
684S28.6Very low32.9Very low86 Ų86122.1 Ų122.160%0.60162%0.623SS**SBendtrans-124.2124.7167.255.40000109.4
685D30.7Very low32.6Very low152 Ų152124.5 Ų124.581%0.81364%0.638SS**SBendtrans97.634.5160.8-50.2-21.8000120.5
686N28.4Very low32.3Very low99 Ų99132.4 Ų132.453%0.52966%0.657SS.*  trans-112.56.9169.4-91.7-11.6000116.6D688N686-D688 PolarHBondContact O-N 2.57Å
687N33.2Very low32.6Very low159 Ų159133.9 Ų133.985%0.8567%0.668SS**THydrogen-bonded Turntrans-73.6-2.5-180-81.3-5.5000115.4
688D33.1Very low33.1Very low134 Ų134139.5 Ų139.572%0.71770%0.697SS**THydrogen-bonded Turntrans-104.2-12.8-174.5-116.30.5000114.9N686N686-D688 PolarHBondContact O-N 2.57Å
689V35.4Very low33Very low65 Ų65140.2 Ų140.239%0.39471%0.707SS.*THydrogen-bonded Turntrans-87-38.5-178.2-174.80000111.7M654 K691 K692M654-V689 HydrophobicContact CE-CG1 3.97Å; V689-K691 PolarHBondContact O-N 2.97Å; V689-K692 PolarHBondContact O-N 3.4Å; V689-K692 VanDerWaalsContact O-N 3.14Å
690D36.1Very low33.2Very low105 Ų105141.5 Ų141.556%0.56172%0.716SS**Hα-helixtrans-64.6-26-178.7-74.1-21.5000112.9
691K35.3Very low33.4Very low158 Ų158141.6 Ų141.669%0.68771%0.714SS**Hα-helixtrans-71.4-29.7177.6-136.6178.6-173.5-179.90113V689V689-K691 PolarHBondContact O-N 2.97Å
692K32.7Very low33.6Very low166 Ų166140.1 Ų140.172%0.72271%0.711SS**Hα-helixtrans-80.8-22.3-179-77.9-175178175.70113.9V689V689-K692 PolarHBondContact O-N 3.4Å; V689-K692 VanDerWaalsContact O-N 3.14Å
693L35.7Very low34.1Very low126 Ų126140.3 Ų140.366%0.6672%0.715SS**Hα-helixtrans-85.4-22.3-179.3-77.7164.3000113.3
694L38.6Very low34.5Very low127 Ų127137.6 Ų137.667%0.66571%0.707SS**Hα-helixtrans-73.9-28.4175-93.6145000113.3W696 S697L694-W696 PolarHBondContact O-N 3.06Å; L694-S697 PolarHBondContact O-OG 3.06Å
695D37.9Very low34.9Very low132 Ų132141.3 Ų141.371%0.70672%0.715SS**THydrogen-bonded Turntrans-74.2-7-179.3-80.8-10.8000114.4
696W35.1Very low35.2Very low235 Ų235140.5 Ų140.589%0.8971%0.707SS**THydrogen-bonded Turntrans-105.522.1178.4-83.340.1000113.5L694L694-W696 PolarHBondContact O-N 3.06Å
697S36.7Very low35.8Very low93 Ų93143.9 Ų143.965%0.6572%0.722SS**  trans-121.625.3176.164.20000115.3L694L694-S697 PolarHBondContact O-OG 3.06Å
698I40Very low36.1Very low227 Ų227142.5 Ų142.5100%1.16471%0.711SS**  trans-119.60156.2-57.6174000106.6

Retrieved 698 of 698 residues in 258.3 ms (Link to these results)

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