A0A096MUW9_PAPAN Loading...

Neuronal acetylcholine receptor subunit alpha-10

AlphaFold DB , UniProt , Accession A0A096MUW9, Species PAPAN (Papio anubis, Olive baboon), Gene CHRNA10, Length 450 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
1M39.1Very low42.4Very low246 Ų246160.1 Ų160.1100%1.21288%0.884SS**  0910-71.5164.616600106.2
2G40.1Very low43.1Very low82 Ų82161.1 Ų161.185%0.84589%0.886SS**  89.653.154.200000110.3
3L37Very low43.6Very low181 Ų181162.2 Ų162.295%0.94889%0.888SS**  trans-101.9108.6179.6-128.180.2000110.3
4R38.8Very low44.2Very low235 Ų235162.6 Ų162.689%0.88789%0.888SS**  trans-86.6135.2174.1-94.6178169.1179.4-3.7110.3
5S41.3Very low44.6Very low100 Ų100161.2 Ų161.270%0.69988%0.878SS**  trans56.4101.4132-178.60000119.9
6H38.8Very low44.9Very low188 Ų188164.1 Ų164.187%0.8788%0.88SS**  trans-14382.2147.2-74.7-72.2000110.9
7H43.8Very low45.4Very low183 Ų183164.8 Ų164.885%0.84788%0.882SS**  trans-129.183.9162.5-85.2-67.5000108.1
8L46.7Very low45.4Very low173 Ų173163.2 Ų163.291%0.90687%0.873SS**  trans-17286.4169.1-105.9133.8000109
9S45.7Very low45.5Very low115 Ų115160.2 Ų160.280%0.80486%0.863SS**  trans179.861.4160.640.90000111.6
10L45.5Very low45.6Very low187 Ų187157.2 Ų157.298%0.97986%0.861SS**SBendtrans-154.239.2167.8-128121.3000113.6
11G50.1Low45.6Very low71 Ų71156.9 Ų156.973%0.73285%0.854SS**SBendtrans-139.930.7-172.100000115.8
12L50.8Low45.8Very low172 Ų172151.4 Ų151.490%0.90184%0.839SS**  trans-152.553.9179.5-141.991.5000114.6
13L49.1Very low46.4Very low175 Ų175154.6 Ų154.692%0.91684%0.835SS**  trans-148.747.2171.4-119.9141.4000112.3
14L51.8Low47.3Very low168 Ų168149.2 Ų149.288%0.8882%0.824SS**  trans-145.161.1176.8-124145.8000109.6
15L50.5Low48.4Very low142 Ų142139.8 Ų139.874%0.74380%0.796SS**  trans-161.254.4174.9-122.2138.5000113.1
16F49.8Very low49.9Very low208 Ų208141.6 Ų141.691%0.91279%0.793SS**  trans-144.945.4165.1-80.2-65.1000113.2
17L52.3Low51.8Low175 Ų175135.5 Ų135.592%0.91678%0.781SS**  trans-135.665.4158.6-72.4172.9000107.9
18L46.1Very low53.8Low137 Ų137136.4 Ų136.472%0.71778%0.777SS**  trans-73.6126.9157.7-75.7167.6000106.5
19P46.8Very low55.8Low105 Ų105130.4 Ų130.468%0.68275%0.746SS**  trans-57.2143.9168.826.8-31.2000107.4E21P19-E21 VanDerWaalsContact C-N 3.34Å; P19-E21 PolarHBondContact O-N 3.33Å
20A47.5Very low57.8Low100 Ų100126.5 Ų126.583%0.82672%0.72SS**  trans-51103.717100000108.1C22A20-C22 PolarHBondContact O-N 3.44Å; A20-C22 VanDerWaalsContact O-N 3.11Å
21E45.6Very low60Low151 Ų151123.5 Ų123.571%0.70671%0.705SS**  trans-58.9117.5167.5-70.3-177.7157.900105.1P19 L23P19-E21 VanDerWaalsContact C-N 3.34Å; P19-E21 PolarHBondContact O-N 3.33Å; E21-L23 HydrophobicContact CB-CD1 4.23Å; E21-L23 PolarHBondContact O-N 3Å
22C43.8Very low62Low132 Ų132125 Ų12589%0.89269%0.691SS**  trans-61.289.5164-820000106.9A20 G24A20-C22 PolarHBondContact O-N 3.44Å; A20-C22 VanDerWaalsContact O-N 3.11Å; C22-G24 PolarHBondContact O-N 3.29Å
23L52.8Low64.1Low149 Ų149116.9 Ų116.978%0.7865%0.649SS**  trans-62.6101.4167.3-91.690000106.8E21 A25E21-L23 HydrophobicContact CB-CD1 4.23Å; E21-L23 PolarHBondContact O-N 3Å; L23-A25 PolarHBondContact O-N 3.38Å
24G55.9Low66.2Low68 Ų68112 Ų11270%0.70162%0.62SS**PPolyproline II helixtrans-57.6136.2161.600000108.7C22 E26C22-G24 PolarHBondContact O-N 3.29Å; G24-E26 PolarHBondContact O-N 3.47Å
25A62.5Low68.3Low37 Ų37112.7 Ų112.731%0.30661%0.611SS.*PPolyproline II helixtrans-54.9140.1178.900000111.3L23 G27 G99 L101L23-A25 PolarHBondContact O-N 3.38Å; A25-G27 PolarHBondContact O-N 3.45Å; A25-G99 WeakPolarHBondContact CB-O 3.24Å; A25-L101 HydrophobicContact CB-CD1 3.48Å; A25-L101 VanDerWaalsContact CB-CD1 3.48Å; A25-L101 HydrophobicContact CB-CG 3.59Å
26E72.8Confident70.4Confident137 Ų137108.9 Ų108.964%0.6459%0.591SS**PPolyproline II helixtrans-55.6131.4174.5-70.1-175.7167.600110.4G24 R28 L29G24-E26 PolarHBondContact O-N 3.47Å; E26-R28 PolarHBondContact O-N 3.08Å; E26-L29 HydrophobicContact CB-CG 4.49Å; E26-L29 WeakPolarHBondContact O-CB 3.31Å; E26-L29 PolarHBondContact O-N 3.17Å
27G78.1Confident72.5Confident60 Ų60100 Ų10062%0.61955%0.553SS**Hα-helixtrans-56.1-21.6-178.900000114.4A25 L29 A30 L31A25-G27 PolarHBondContact O-N 3.45Å; G27-L29 VanDerWaalsContact C-N 3.35Å; G27-A30 PolarHBondContact O-N 2.98Å; G27-L31 PolarHBondContact O-N 3.26Å; G27-L31 VanDerWaalsContact O-N 3.11Å
28R85.6Confident74.5Confident202 Ų20293.6 Ų93.676%0.76252%0.518SS*.Hα-helixtrans-63.4-37.1172.3-170.5-179-177.6-169.11.4112.7E26 L31 K32E26-R28 PolarHBondContact O-N 3.08Å; R28-L31 PolarHBondContact O-N 2.93Å; R28-K32 WeakPolarHBondContact O-CB 3.33Å; R28-K32 PolarHBondContact O-N 3.47Å
29L89.1Confident76.8Confident47 Ų4790.4 Ų90.425%0.24651%0.512CS..Hα-helixtrans-71.3-36.9177.5-65.4174.3000111.4E26 G27 K32 L33 L101E26-L29 HydrophobicContact CB-CG 4.49Å; E26-L29 WeakPolarHBondContact O-CB 3.31Å; E26-L29 PolarHBondContact O-N 3.17Å; G27-L29 VanDerWaalsContact C-N 3.35Å; L29-K32 PolarHBondContact O-N 3.05Å; L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 PolarHBondContact O-N 3.46Å; L29-L101 HydrophobicContact CB-CD1 4.13Å
30A87.9Confident78.8Confident33 Ų3393.4 Ų93.427%0.27352%0.522SS..Hα-helixtrans-63.2-41.6173.200000112G27 L33 F34 L101G27-A30 PolarHBondContact O-N 2.98Å; A30-L33 PolarHBondContact O-N 3.42Å; A30-F34 WeakPolarHBondContact O-CB 3.27Å; A30-F34 PolarHBondContact O-N 2.8Å; A30-L101 HydrophobicContact CB-CD1 4Å; A30-L101 HydrophobicContact CB-CD2 4.3Å
31L90.6Very high81.1Confident124 Ų12490.3 Ų90.365%0.64949%0.489SS*.Hα-helixtrans-66.1-40.7175.5-176.266.7000112.1G27 R28 F34 R35G27-L31 PolarHBondContact O-N 3.26Å; G27-L31 VanDerWaalsContact O-N 3.11Å; R28-L31 PolarHBondContact O-N 2.93Å; L31-F34 PolarHBondContact O-N 3.49Å; L31-R35 PolarHBondContact O-N 3.18Å
32K93.3Very high83.3Confident104 Ų10486.8 Ų86.845%0.45248%0.478SS..Hα-helixtrans-60.8-50.2174.5-175.4-170171.7-166.50110.7R28 L29 F34 R35 D36 Y98R28-K32 WeakPolarHBondContact O-CB 3.33Å; R28-K32 PolarHBondContact O-N 3.47Å; L29-K32 PolarHBondContact O-N 3.05Å; K32-F34 VanDerWaalsContact C-N 3.33Å; K32-F34 PolarHBondContact O-N 3.32Å; K32-R35 PolarHBondContact O-N 3.39Å; K32-R35 VanDerWaalsContact O-N 3.14Å; K32-D36 WeakPolarHBondContact O-CB 3.32Å; K32-D36 PolarHBondContact O-N 3.43Å; K32-Y98 HydrophobicContact CD-CE1 4.33Å; K32-Y98 HydrophobicContact CG-CE1 4.36Å
33L94.2Very high85.7Confident0 Ų083 Ų830%045%0.453CS..Hα-helixtrans-54.4-49.2176.5175.362.6000111.3L29 A30 R35 D36 L37 W93 Y98 I104L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 PolarHBondContact O-N 3.46Å; A30-L33 PolarHBondContact O-N 3.42Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.39Å; L33-D36 PolarHBondContact O-N 3.29Å; L33-L37 HydrophobicContact CD1-CD1 3.75Å; L33-L37 HydrophobicContact CD1-CD2 4.38Å; L33-L37 HydrophobicContact CD1-CG 3.82Å; L33-L37 HydrophobicContact CG-CD1 3.85Å; L33-L37 HydrophobicContact CG-CG 4.3Å; L33-L37 WeakPolarHBondContact O-CB 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.31Å; L33-L37 PolarHBondContact O-N 2.95Å; L33-W93 HydrophobicContact CD1-CB 3.71Å; L33-W93 HydrophobicContact CD1-CD2 3.79Å; L33-W93 HydrophobicContact CD1-CE3 4.31Å; L33-W93 HydrophobicContact CD1-CG 3.5Å; L33-W93 HydrophobicContact CD2-CD2 3.92Å; L33-W93 HydrophobicContact CD2-CG 4.21Å; L33-W93 HydrophobicContact CD2-CZ2 4.01Å; L33-W93 HydrophobicContact CG-CD2 4.43Å; L33-Y98 HydrophobicContact CB-CD1 3.61Å; L33-Y98 HydrophobicContact CB-CE1 3.8Å; L33-Y98 HydrophobicContact CB-CG 4.15Å; L33-Y98 HydrophobicContact CD1-CD1 4.09Å; L33-Y98 HydrophobicContact CD1-CD2 3.86Å; L33-Y98 HydrophobicContact CD1-CE1 3.98Å; L33-Y98 HydrophobicContact CD1-CE2 3.75Å; L33-Y98 HydrophobicContact CD1-CG 4.03Å; L33-Y98 HydrophobicContact CG-CD1 4.38Å; L33-Y98 HydrophobicContact CG-CG 4.5Å; L33-I104 HydrophobicContact CD2-CG2 3.9Å
34F94.1Very high87.5Confident72 Ų7279.7 Ų79.732%0.31645%0.447SS..Hα-helixtrans-57.8-45.6177.7-180-93.6000111.7A30 L31 K32 D36 F38 I106 L110A30-F34 WeakPolarHBondContact O-CB 3.27Å; A30-F34 PolarHBondContact O-N 2.8Å; L31-F34 PolarHBondContact O-N 3.49Å; K32-F34 VanDerWaalsContact C-N 3.33Å; K32-F34 PolarHBondContact O-N 3.32Å; F34-D36 PolarHBondContact O-N 3.34Å; F34-F38 AromaticContact CD2-CD2 3.64Å; F34-F38 HydrophobicContact CD2-CD2 3.64Å; F34-F38 AromaticContact CD2-CE2 3.76Å; F34-F38 HydrophobicContact CD2-CE2 3.76Å; F34-F38 AromaticContact CE2-CD2 3.58Å; F34-F38 HydrophobicContact CE2-CD2 3.58Å; F34-F38 AromaticContact CE2-CE2 3.68Å; F34-F38 HydrophobicContact CE2-CE2 3.68Å; F34-F38 HydrophobicContact CE2-CG 4.3Å; F34-F38 HydrophobicContact CE2-CZ 4.46Å; F34-F38 HydrophobicContact CG-CD2 4.19Å; F34-F38 HydrophobicContact CZ-CD2 4.08Å; F34-F38 HydrophobicContact CZ-CG 4.42Å; F34-F38 WeakPolarHBondContact O-CB 3.34Å; F34-F38 VanDerWaalsContact O-CD2 3.3Å; F34-F38 WeakPolarHBondContact O-CD2 3.28Å; F34-F38 PolarHBondContact O-N 3.13Å; F34-F38 VanDerWaalsContact O-N 3.1Å; F34-I106 HydrophobicContact CD2-CG2 3.95Å; F34-I106 HydrophobicContact CE2-CG2 3.94Å; F34-L110 HydrophobicContact CE2-CD1 3.9Å; F34-L110 HydrophobicContact CZ-CD1 3.79Å
35R94.2Very high89.2Confident184 Ų18482.3 Ų82.369%0.69444%0.444SS*.Hα-helixtrans-64.6-40.4178-164.4-176.376.1172.37112.3L31 K32 L33 A39L31-R35 PolarHBondContact O-N 3.18Å; K32-R35 PolarHBondContact O-N 3.39Å; K32-R35 VanDerWaalsContact O-N 3.14Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.39Å; R35-A39 WeakPolarHBondContact O-CB 3.31Å; R35-A39 PolarHBondContact O-N 3.25Å
36D94.6Very high90.7Very high62 Ų6282.4 Ų82.433%0.33244%0.437SS..Hα-helixtrans-67.3-44.6-178.8-65.9-12.5000111K32 L33 F34 Y98K32-D36 WeakPolarHBondContact O-CB 3.32Å; K32-D36 PolarHBondContact O-N 3.43Å; L33-D36 PolarHBondContact O-N 3.29Å; F34-D36 PolarHBondContact O-N 3.34Å; D36-Y98 PolarHBondContact OD2-OH 3.32Å
37L94.3Very high91.7Very high21 Ų2176 Ų7611%0.1141%0.408CS..Hα-helixtrans-64.7-43.1178-71.3175.8000112.5L33 L91 W93 I104 L136L33-L37 HydrophobicContact CD1-CD1 3.75Å; L33-L37 HydrophobicContact CD1-CD2 4.38Å; L33-L37 HydrophobicContact CD1-CG 3.82Å; L33-L37 HydrophobicContact CG-CD1 3.85Å; L33-L37 HydrophobicContact CG-CG 4.3Å; L33-L37 WeakPolarHBondContact O-CB 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.31Å; L33-L37 PolarHBondContact O-N 2.95Å; L37-L91 HydrophobicContact CB-CD2 4.25Å; L37-W93 HydrophobicContact CD1-CE3 3.82Å; L37-W93 HydrophobicContact CD1-CZ3 4.06Å; L37-W93 HydrophobicContact CD2-CE3 4.27Å; L37-I104 HydrophobicContact CD1-CD1 4.16Å; L37-L136 HydrophobicContact CD1-CD2 4.2Å
38F95.3Very high92.5Very high40 Ų4073.8 Ų73.818%0.17538%0.382CS..Hα-helixtrans-93.12.1-171.8-72.8-84000114.6F34 N40 Y41 L91 I106 L110 V111F34-F38 AromaticContact CD2-CD2 3.64Å; F34-F38 HydrophobicContact CD2-CD2 3.64Å; F34-F38 AromaticContact CD2-CE2 3.76Å; F34-F38 HydrophobicContact CD2-CE2 3.76Å; F34-F38 AromaticContact CE2-CD2 3.58Å; F34-F38 HydrophobicContact CE2-CD2 3.58Å; F34-F38 AromaticContact CE2-CE2 3.68Å; F34-F38 HydrophobicContact CE2-CE2 3.68Å; F34-F38 HydrophobicContact CE2-CG 4.3Å; F34-F38 HydrophobicContact CE2-CZ 4.46Å; F34-F38 HydrophobicContact CG-CD2 4.19Å; F34-F38 HydrophobicContact CZ-CD2 4.08Å; F34-F38 HydrophobicContact CZ-CG 4.42Å; F34-F38 WeakPolarHBondContact O-CB 3.34Å; F34-F38 VanDerWaalsContact O-CD2 3.3Å; F34-F38 WeakPolarHBondContact O-CD2 3.28Å; F34-F38 PolarHBondContact O-N 3.13Å; F34-F38 VanDerWaalsContact O-N 3.1Å; F38-N40 VanDerWaalsContact C-N 3.32Å; F38-N40 PolarHBondContact O-N 2.69Å; F38-Y41 AromaticContact CD1-CD1 3.75Å; F38-Y41 HydrophobicContact CD1-CD1 3.75Å; F38-Y41 HydrophobicContact CD1-CG 4.18Å; F38-Y41 AromaticContact CE1-CD1 3.67Å; F38-Y41 HydrophobicContact CE1-CD1 3.67Å; F38-Y41 HydrophobicContact CE1-CE1 4.03Å; F38-Y41 HydrophobicContact CE1-CG 4.27Å; F38-L91 HydrophobicContact CE1-CD2 4.34Å; F38-L91 HydrophobicContact CE2-CD2 4.46Å; F38-L91 HydrophobicContact CZ-CD1 4.46Å; F38-L91 HydrophobicContact CZ-CD2 4.08Å; F38-I106 HydrophobicContact CE1-CD1 4.47Å; F38-I106 HydrophobicContact CE2-CD1 3.81Å; F38-I106 HydrophobicContact CZ-CD1 3.38Å; F38-L110 HydrophobicContact CE1-CB 4.19Å; F38-L110 WeakPolarHBondContact CE1-O 3.46Å; F38-V111 HydrophobicContact CE1-CG1 4.36Å; F38-V111 HydrophobicContact CZ-CG1 4.12Å
39A93Very high92.6Very high71 Ų7167.8 Ų67.859%0.58738%0.375SS*.SBendtrans-61.5-37.918000000113.2R35R35-A39 WeakPolarHBondContact O-CB 3.31Å; R35-A39 PolarHBondContact O-N 3.25Å
40N90Very high92.7Very high168 Ų16869.1 Ų69.190%0.89838%0.383SS*.SBendtrans-127.121.4-177.4-67.4-33.2000112.7F38F38-N40 VanDerWaalsContact C-N 3.32Å; F38-N40 PolarHBondContact O-N 2.69Å
41Y94.8Very high92.7Very high35 Ų3572.6 Ų72.614%0.13740%0.401CS..  trans-94141.3-178.7-177.9-94.2000111.3F38 D88 L91 L110 W112F38-Y41 AromaticContact CD1-CD1 3.75Å; F38-Y41 HydrophobicContact CD1-CD1 3.75Å; F38-Y41 HydrophobicContact CD1-CG 4.18Å; F38-Y41 AromaticContact CE1-CD1 3.67Å; F38-Y41 HydrophobicContact CE1-CD1 3.67Å; F38-Y41 HydrophobicContact CE1-CE1 4.03Å; F38-Y41 HydrophobicContact CE1-CG 4.27Å; Y41-D88 VanDerWaalsContact CE2-OD2 3.29Å; Y41-D88 WeakPolarHBondContact CE2-OD2 3.39Å; Y41-D88 PolarHBondContact OH-OD2 2.93Å; Y41-L91 HydrophobicContact CD2-CD1 4.45Å; Y41-L91 HydrophobicContact CD2-CD2 3.61Å; Y41-L91 HydrophobicContact CD2-CG 3.92Å; Y41-L91 HydrophobicContact CE2-CD1 3.78Å; Y41-L91 HydrophobicContact CE2-CD2 3.79Å; Y41-L91 HydrophobicContact CE2-CG 3.58Å; Y41-L91 HydrophobicContact CG-CD2 4.06Å; Y41-L110 WeakPolarHBondContact CE1-O 3.35Å; Y41-W112 PolarHBondContact OH-N 3.18Å
42T93.3Very high92.7Very high77 Ų7773.2 Ų73.247%0.47241%0.405SS..  trans-127.6130.8170-179.60000110.2A44 L45T42-A44 PolarHBondContact O-N 3.38Å; T42-A44 PolarHBondContact OG1-N 2.84Å; T42-L45 HydrophobicContact CG2-CB 4.48Å; T42-L45 HydrophobicContact CG2-CD1 4.26Å; T42-L45 HydrophobicContact CG2-CG 4.39Å
43S92.9Very high92.6Very high51 Ų5173.2 Ų73.236%0.35741%0.406SS..THydrogen-bonded Turntrans-81.8-1.817655.60000113.5W112S43-W112 WeakPolarHBondContact O-CA 3.42Å; S43-W112 VanDerWaalsContact O-CD1 3.27Å
44A91.3Very high92.6Very high80 Ų8076 Ų7666%0.66142%0.423SS*.THydrogen-bonded Turntrans-80.7-21.4-176.100000113.6T42T42-A44 PolarHBondContact O-N 3.38Å; T42-A44 PolarHBondContact OG1-N 2.84Å
45L91.9Very high92.7Very high123 Ų12373.1 Ų73.164%0.64441%0.411SS*.SBendtrans-113.4150-175.3-63.5176.1000111.1T42 W112T42-L45 HydrophobicContact CG2-CB 4.48Å; T42-L45 HydrophobicContact CG2-CD1 4.26Å; T42-L45 HydrophobicContact CG2-CG 4.39Å; L45-W112 VanDerWaalsContact C-CD1 3.44Å
46R94.1Very high92.7Very high39 Ų3968.3 Ų68.315%0.14740%0.399CS..  trans-60.8131.6177.7-147.4-163.9-35.9121.88.4109.6V48 T51 Q53 L55 W112 Q181R46-V48 VanDerWaalsContact C-N 3.25Å; R46-V48 PolarHBondContact O-N 2.94Å; R46-T51 PolarHBondContact NH1-O 3.26Å; R46-Q53 PolarHBondContact NH1-O 3.48Å; R46-L55 HydrophobicContact CG-CD2 4.21Å; R46-W112 HydrophobicContact CB-CZ2 4.46Å; R46-W112 HydrophobicContact CG-CH2 4.1Å; R46-W112 HydrophobicContact CG-CZ2 3.7Å; R46-Q181 WeakPolarHBondContact CD-O 3.35Å
47P94.2Very high92.9Very high4 Ų465.3 Ų65.33%0.02638%0.383CS..  trans-85.262.5-170.434.6-38.7000112.7L55 D88 A89 Y90 W112P47-L55 HydrophobicContact CG-CD2 4.44Å; P47-D88 HydrophobicContact CB-CB 3.91Å; P47-D88 VanDerWaalsContact CB-OD1 3.28Å; P47-D88 WeakPolarHBondContact CB-OD1 3.25Å; P47-D88 VanDerWaalsContact CB-OD2 3.23Å; P47-D88 WeakPolarHBondContact CB-OD2 3.32Å; P47-D88 HydrophobicContact CG-CB 4.2Å; P47-A89 PolarHBondContact O-N 3.26Å; P47-Y90 HydrophobicContact CB-CD2 4.34Å; P47-W112 VanDerWaalsContact CD-CE3 3.41Å; P47-W112 HydrophobicContact CG-CB 4.44Å; P47-W112 HydrophobicContact CG-CD2 4.19Å; P47-W112 HydrophobicContact CG-CE3 3.81Å; P47-W112 HydrophobicContact CG-CG 4.49Å; P47-W112 HydrophobicContact CG-CZ3 4.42Å
48V93.4Very high93Very high13 Ų1366 Ų668%0.07939%0.389CS..  trans-113143.5178.1-66.60000110.2R46 D50 L55 Y90R46-V48 VanDerWaalsContact C-N 3.25Å; R46-V48 PolarHBondContact O-N 2.94Å; V48-D50 VanDerWaalsContact C-N 3.3Å; V48-D50 WeakPolarHBondContact CB-O 3.46Å; V48-D50 WeakPolarHBondContact CG2-O 3.38Å; V48-L55 HydrophobicContact CG1-CB 4.17Å; V48-L55 HydrophobicContact CG1-CD1 4.24Å; V48-Y90 PolarHBondContact O-OH 3.39Å; V48-Y90 VanDerWaalsContact O-OH 3.05Å
49A88.9Confident93.1Very high76 Ų7664.2 Ų64.263%0.62838%0.381SS*.SBendtrans-67.5-34.5176.800000112A89A49-A89 HydrophobicContact CB-CB 4.38Å
50D90.6Very high93.3Very high75 Ų7563 Ų6340%0.40136%0.363SS..SBendtrans-128135.3177.1-173.9-11.5000108.9V48 D52 Q53V48-D50 VanDerWaalsContact C-N 3.3Å; V48-D50 WeakPolarHBondContact CB-O 3.46Å; V48-D50 WeakPolarHBondContact CG2-O 3.38Å; D50-D52 PolarHBondContact O-N 3.48Å; D50-D52 PolarHBondContact OD1-N 2.96Å; D50-Q53 HydrophobicContact CB-CG 4.09Å; D50-Q53 WeakPolarHBondContact O-CB 3.49Å; D50-Q53 PolarHBondContact O-N 3.47Å; D50-Q53 VanDerWaalsContact O-N 3.09Å
51T88.6Confident93.5Very high106 Ų10655.1 Ų55.165%0.6532%0.321SS*.THydrogen-bonded Turntrans-63.8-25.6-176.247.60000113.3R46 Q53R46-T51 PolarHBondContact NH1-O 3.26Å; T51-Q53 VanDerWaalsContact C-N 3.26Å; T51-Q53 PolarHBondContact O-N 3.27Å
52D89.3Confident93.6Very high137 Ų13754 Ų5473%0.73332%0.318SS*.THydrogen-bonded Turntrans-76.1-13.1178.4-69.6-12.7000112.7D50D50-D52 PolarHBondContact O-N 3.48Å; D50-D52 PolarHBondContact OD1-N 2.96Å
53Q92.4Very high93.7Very high103 Ų10350.3 Ų50.348%0.48130%0.295SS..SBendtrans-79.3132177.1-68.4178.99.500111.7R46 D50 T51R46-Q53 PolarHBondContact NH1-O 3.48Å; D50-Q53 HydrophobicContact CB-CG 4.09Å; D50-Q53 WeakPolarHBondContact O-CB 3.49Å; D50-Q53 PolarHBondContact O-N 3.47Å; D50-Q53 VanDerWaalsContact O-N 3.09Å; T51-Q53 VanDerWaalsContact C-N 3.26Å; T51-Q53 PolarHBondContact O-N 3.27Å
54T93.1Very high93.8Very high59 Ų5948.8 Ų48.836%0.36228%0.284SS..PPolyproline II helixtrans-76.1128172.5-46.50000110.3G179 H180 D183T54-G179 WeakPolarHBondContact CG2-O 3.24Å; T54-H180 WeakPolarHBondContact CA-O 3.28Å; T54-H180 WeakPolarHBondContact CB-O 3.23Å; T54-H180 PolarHBondContact OG1-O 3.46Å; T54-D183 HydrophobicContact CG2-CB 3.75Å
55L95.5Very high94Very high11 Ų1148.7 Ų48.76%0.05827%0.27CS..EExtended strand (participates in β ladder)trans-82.2120.8173.3-173.974.7000110.1R46 P47 V48 V57 W86 T87 W112 Q181 L182 D183R46-L55 HydrophobicContact CG-CD2 4.21Å; P47-L55 HydrophobicContact CG-CD2 4.44Å; V48-L55 HydrophobicContact CG1-CB 4.17Å; V48-L55 HydrophobicContact CG1-CD1 4.24Å; L55-V57 HydrophobicContact CD2-CG2 4.32Å; L55-W86 HydrophobicContact CD2-CB 4.48Å; L55-T87 WeakPolarHBondContact CD1-O 3.41Å; L55-W112 HydrophobicContact CD2-CE3 4.17Å; L55-W112 HydrophobicContact CD2-CH2 3.34Å; L55-W112 HydrophobicContact CD2-CZ2 4.39Å; L55-W112 HydrophobicContact CD2-CZ3 3.21Å; L55-Q181 PolarHBondContact N-O 3.2Å; L55-L182 WeakPolarHBondContact O-CA 3.37Å; L55-D183 PolarHBondContact O-N 3.21Å
56N96.1Very high94.2Very high83 Ų8343.2 Ų43.244%0.44424%0.241SC..EExtended strand (participates in β ladder)trans-83.2123.3174.7-66.8-36.6000110.3
57V97.2Very high94.2Very high0 Ų044.8 Ų44.80%025%0.252CS..EExtended strand (participates in β ladder)trans-112.8115.2174.2-179.40000108.5L55 W86 P114 I116 L182 D183 V184 R185L55-V57 HydrophobicContact CD2-CG2 4.32Å; V57-W86 HydrophobicContact CG2-CB 4.31Å; V57-P114 HydrophobicContact CG1-CB 4.46Å; V57-P114 HydrophobicContact CG1-CG 4.1Å; V57-P114 HydrophobicContact CG2-CB 3.98Å; V57-P114 HydrophobicContact CG2-CG 4.23Å; V57-I116 HydrophobicContact CG1-CG1 4.46Å; V57-L182 HydrophobicContact CB-CD2 4.31Å; V57-L182 HydrophobicContact CG2-CD1 4.17Å; V57-L182 HydrophobicContact CG2-CD2 3.91Å; V57-L182 HydrophobicContact CG2-CG 3.95Å; V57-D183 PolarHBondContact N-O 2.63Å; V57-V184 WeakPolarHBondContact O-CA 3.03Å; V57-R185 PolarHBondContact O-N 2.75Å
58T97.6Very high94.2Very high36 Ų3648.4 Ų48.422%0.22127%0.271CS..EExtended strand (participates in β ladder)trans-88.2122.9174.5-55.10000109.5Q84 E85 R185 R187T58-Q84 WeakPolarHBondContact O-CA 3.36Å; T58-E85 PolarHBondContact N-O 3.43Å; T58-E85 PolarHBondContact O-N 3.2Å; T58-R185 CarbonylContact C-O 3.58Å; T58-R185 WeakPolarHBondContact CA-O 3.42Å; T58-R187 HydrophobicContact CG2-CB 3.81Å; T58-R187 HydrophobicContact CG2-CG 4.45Å
59L97Very high94.2Very high1 Ų148.1 Ų48.11%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-107.2126.3-179.9-173.666.2000110.2V61 I82 Q84 F172 V184 R185 P186 R187 V226 F228L59-V61 HydrophobicContact CG-CG2 4.4Å; L59-I82 HydrophobicContact CD1-CG2 3.71Å; L59-Q84 HydrophobicContact CD1-CG 3.96Å; L59-F172 HydrophobicContact CD2-CB 3.59Å; L59-F172 HydrophobicContact CD2-CD2 4.33Å; L59-F172 HydrophobicContact CD2-CG 4.03Å; L59-V184 HydrophobicContact CB-CG1 4.19Å; L59-V184 HydrophobicContact CD2-CG1 4.37Å; L59-R185 PolarHBondContact N-O 2.88Å; L59-P186 CarbonylContact O-C 3.56Å; L59-P186 WeakPolarHBondContact O-CA 3.25Å; L59-R187 PolarHBondContact O-N 3.02Å; L59-V226 HydrophobicContact CD2-CB 4.4Å; L59-F228 HydrophobicContact CD2-CE2 3.86Å; L59-F228 HydrophobicContact CG-CE2 4.33Å
60E96.3Very high94.4Very high47 Ų4746.7 Ų46.722%0.2225%0.251CS..EExtended strand (participates in β ladder)trans-125.5127.2172.8-179.9-178.9-173.100108R83 R187E60-R83 HydrophobicContact CB-CB 4.17Å; E60-R83 PolarHBondContact N-O 2.9Å; E60-R83 PolarHBondContact O-N 2.85Å; E60-R83 IonicContact OE1-NH1 3Å; E60-R83 WeakPolarHBondContact OE2-CD 3.48Å; E60-R83 IonicContact OE2-CZ 3.39Å; E60-R83 IonicContact OE2-NH1 2.8Å; E60-R83 PolarHBondContact OE2-NH1 3.5Å; E60-R187 HydrophobicContact CB-CB 3.91Å; E60-R187 HydrophobicContact CG-CB 4.34Å
61V95.8Very high94.3Very high1 Ų144.5 Ų44.51%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-115.2131.8177.5174.80000108L59 L80 W81 F172 A191 S192 M207 F228L59-V61 HydrophobicContact CG-CG2 4.4Å; V61-L80 HydrophobicContact CG1-CB 4.38Å; V61-L80 HydrophobicContact CG1-CD1 4.11Å; V61-L80 HydrophobicContact CG1-CD2 4.15Å; V61-L80 HydrophobicContact CG1-CG 4.45Å; V61-W81 WeakPolarHBondContact CA-O 3.23Å; V61-F172 HydrophobicContact CG2-CE2 4.33Å; V61-A191 HydrophobicContact CB-CB 4.35Å; V61-A191 HydrophobicContact CG1-CB 4.46Å; V61-A191 CarbonylContact O-C 3.58Å; V61-A191 VanDerWaalsContact O-CA 3.27Å; V61-A191 WeakPolarHBondContact O-CA 3.32Å; V61-A191 WeakPolarHBondContact O-CB 3.26Å; V61-S192 PolarHBondContact O-N 3.35Å; V61-M207 HydrophobicContact CG1-CE 4.26Å; V61-F228 HydrophobicContact CB-CD1 4.33Å; V61-F228 HydrophobicContact CB-CD2 4.42Å; V61-F228 HydrophobicContact CB-CE1 4.02Å; V61-F228 HydrophobicContact CB-CE2 4.13Å; V61-F228 HydrophobicContact CB-CZ 3.91Å; V61-F228 HydrophobicContact CG2-CD2 3.94Å; V61-F228 HydrophobicContact CG2-CE1 4.27Å; V61-F228 HydrophobicContact CG2-CE2 3.48Å; V61-F228 VanDerWaalsContact CG2-CE2 3.48Å; V61-F228 HydrophobicContact CG2-CZ 3.66Å
62T95.9Very high94.3Very high12 Ų1246.6 Ų46.67%0.07423%0.234CC..EExtended strand (participates in β ladder)trans-115.8124.5170.4-540000108.8S64 L80 W81 S192T62-S64 PolarHBondContact O-N 3.42Å; T62-L80 WeakPolarHBondContact O-CA 3.5Å; T62-W81 PolarHBondContact N-O 3.01Å; T62-W81 PolarHBondContact O-N 3.4Å; T62-S192 WeakPolarHBondContact CA-O 3.37Å
63L96.6Very high94.4Very high0 Ų044.9 Ų44.90%023%0.225CC..EExtended strand (participates in β ladder)trans-80.7117.8174177.164.5000108.9L78 L80 S192 L193 F196 V204 M207 L230L63-L78 HydrophobicContact CD1-CB 4.36Å; L63-L78 HydrophobicContact CD1-CD1 4.24Å; L63-L78 HydrophobicContact CD1-CD2 4.08Å; L63-L78 HydrophobicContact CD1-CG 4.46Å; L63-L80 HydrophobicContact CB-CD2 4.31Å; L63-L80 HydrophobicContact CD1-CD2 3.59Å; L63-S192 PolarHBondContact N-O 2.82Å; L63-L193 HydrophobicContact CB-CD2 3.82Å; L63-L193 HydrophobicContact CD2-CD2 3.89Å; L63-L193 HydrophobicContact CG-CD2 4.43Å; L63-F196 HydrophobicContact CD2-CD2 3.76Å; L63-F196 HydrophobicContact CD2-CE2 3.83Å; L63-F196 HydrophobicContact CG-CD2 3.77Å; L63-F196 HydrophobicContact CG-CE2 4.15Å; L63-V204 HydrophobicContact CD2-CG1 4.49Å; L63-V204 HydrophobicContact CD2-CG2 4.33Å; L63-M207 HydrophobicContact CB-SD 4.27Å; L63-L230 HydrophobicContact CD2-CD1 3.73Å
64S94.8Very high94.4Very high18 Ų1843.6 Ų43.613%0.12622%0.219CC..EExtended strand (participates in β ladder)trans-94.9-48.4177.3174.20000111.5T62 Y79 F196 V197T62-S64 PolarHBondContact O-N 3.42Å; S64-Y79 PolarHBondContact N-O 3.46Å; S64-Y79 WeakPolarHBondContact OG-CD1 3.49Å; S64-F196 WeakPolarHBondContact O-CA 3.42Å; S64-V197 PolarHBondContact O-N 3.47Å
65Q95.3Very high94.4Very high79 Ų7941.8 Ų41.837%0.36921%0.208SC..EExtended strand (participates in β ladder)trans-156.2153.1174.956.6176.57.200112I67 Y79 V197Q65-I67 HydrophobicContact CG-CG1 4.27Å; Q65-Y79 HydrophobicContact CG-CD1 4.29Å; Q65-Y79 HydrophobicContact CG-CG 4.31Å; Q65-Y79 PolarHBondContact N-O 2.85Å; Q65-Y79 PolarHBondContact O-N 2.92Å; Q65-V197 HydrophobicContact CB-CB 4.48Å
66I96.4Very high94.4Very high8 Ų841.2 Ų41.24%0.04121%0.205CC..EExtended strand (participates in β ladder)trans-87.2114.3164.2-59.4167.1000106.2L76 L78 F196 N199 W202 V204 L230 L232I66-L76 HydrophobicContact CG2-CD1 4.24Å; I66-L78 HydrophobicContact CB-CD2 4.16Å; I66-L78 HydrophobicContact CG1-CD2 3.77Å; I66-L78 HydrophobicContact CG2-CD2 4.19Å; I66-F196 HydrophobicContact CD1-CE2 4.46Å; I66-F196 HydrophobicContact CD1-CZ 4.42Å; I66-F196 HydrophobicContact CG1-CE2 4.3Å; I66-N199 HydrophobicContact CB-CB 4.43Å; I66-N199 HydrophobicContact CD1-CB 4.36Å; I66-N199 PolarHBondContact O-ND2 3.37Å; I66-W202 HydrophobicContact CD1-CB 4.13Å; I66-V204 HydrophobicContact CD1-CG2 3.72Å; I66-L230 HydrophobicContact CD1-CD2 4.45Å; I66-L230 HydrophobicContact CG1-CD2 4.49Å; I66-L232 HydrophobicContact CD1-CD2 3.64Å
67I93.9Very high94.4Very high72 Ų7237.7 Ų37.737%0.36919%0.186SC..EExtended strand (participates in β ladder)trans-79.4-50.1-180-66.1170.2000109.3Q65 T77 I149Q65-I67 HydrophobicContact CG-CG1 4.27Å; I67-T77 HydrophobicContact CB-CG2 3.9Å; I67-T77 HydrophobicContact CD1-CG2 4.06Å; I67-T77 HydrophobicContact CG2-CG2 4.07Å; I67-T77 PolarHBondContact N-O 3.42Å; I67-I149 HydrophobicContact CD1-CD1 4.35Å; I67-I149 HydrophobicContact CD1-CG1 4.04Å; I67-I149 HydrophobicContact CD1-CG2 3.92Å
68D93.6Very high94.3Very high79 Ų7937.7 Ų37.742%0.42219%0.186SC..EExtended strand (participates in β ladder)trans-160.3146.3-173.5-171.331.7000111.2T77D68-T77 PolarHBondContact N-O 3.18Å; D68-T77 PolarHBondContact O-N 2.87Å
69M92.8Very high94.1Very high7 Ų738.9 Ų38.93%0.03419%0.187CC..EExtended strand (participates in β ladder)trans-123103.7168.3178.57286.300106.7E71 L76 V156 W202 L232M69-E71 HydrophobicContact CG-CG 4.12Å; M69-E71 PolarHBondContact O-N 3.27Å; M69-E71 VanDerWaalsContact O-OE2 3.06Å; M69-L76 HydrophobicContact CB-CD1 4.5Å; M69-L76 HydrophobicContact CE-CB 4.35Å; M69-L76 HydrophobicContact CE-CD1 3.66Å; M69-L76 HydrophobicContact CE-CD2 4.44Å; M69-L76 HydrophobicContact CE-CG 4.35Å; M69-L76 HydrophobicContact SD-CB 3.94Å; M69-L76 HydrophobicContact SD-CD1 3.9Å; M69-L76 HydrophobicContact SD-CG 4.46Å; M69-V156 HydrophobicContact SD-CG2 4.37Å; M69-W202 HydrophobicContact CB-CZ2 4.45Å; M69-W202 HydrophobicContact CG-CZ2 4.05Å; M69-L232 HydrophobicContact CE-CD1 3.44Å; M69-L232 VanDerWaalsContact CE-CD1 3.44Å
70D92.7Very high94Very high46 Ų4638.9 Ų38.925%0.24619%0.187CC..EExtended strand (participates in β ladder)trans-87.392.1175-174.7-25.1000108R72 N73 Q74 V75D70-R72 VanDerWaalsContact C-N 3.26Å; D70-R72 PolarHBondContact O-N 2.69Å; D70-R72 PolarHBondContact OD1-N 3.42Å; D70-N73 PolarHBondContact OD1-N 2.94Å; D70-N73 PolarHBondContact OD1-ND2 3.34Å; D70-N73 PolarHBondContact OD2-ND2 2.91Å; D70-Q74 WeakPolarHBondContact O-CA 3.38Å; D70-Q74 PolarHBondContact O-N 2.87Å; D70-V75 HydrophobicContact CB-CB 4.39Å; D70-V75 PolarHBondContact N-O 2.85Å; D70-V75 PolarHBondContact O-N 3.48Å
71E89.8Confident93.9Very high29 Ų2941.4 Ų41.414%0.13620%0.195CC..THydrogen-bonded Turntrans-64.1-35.5-178.6-62.695.6154.400111.7M69 Q74 V156 R234 P290M69-E71 HydrophobicContact CG-CG 4.12Å; M69-E71 PolarHBondContact O-N 3.27Å; M69-E71 VanDerWaalsContact O-OE2 3.06Å; E71-Q74 PolarHBondContact O-N 3.4Å; E71-V156 HydrophobicContact CB-CG1 4.44Å; E71-V156 HydrophobicContact CG-CG1 4.07Å; E71-V156 HydrophobicContact CG-CG2 4.42Å; E71-R234 IonicContact OE1-CZ 3.96Å; E71-R234 VanDerWaalsContact OE1-CZ 3.25Å; E71-R234 IonicContact OE1-NH1 3.6Å; E71-R234 PolarHBondContact OE1-NH1 2.85Å; E71-R234 IonicContact OE1-NH2 3.12Å; E71-R234 PolarHBondContact OE1-NH2 3.01Å; E71-P290 WeakPolarHBondContact O-CB 3.39Å; E71-P290 VanDerWaalsContact O-CD 3.26Å; E71-P290 WeakPolarHBondContact O-CD 3.47Å; E71-P290 WeakPolarHBondContact O-CG 3.38Å
72R88.8Confident93.8Very high150 Ų15042.2 Ų42.257%0.56620%0.199SC*.THydrogen-bonded Turntrans-63.5-45.8-177.5-175.9-177.3-178.2-142.40.3111.9D70D70-R72 VanDerWaalsContact C-N 3.26Å; D70-R72 PolarHBondContact O-N 2.69Å; D70-R72 PolarHBondContact OD1-N 3.42Å
73N90.1Very high93.8Very high102 Ų10245.1 Ų45.155%0.54521%0.208SC..THydrogen-bonded Turntrans-90.3-2.6177.8-63.3-50000113D70 V75D70-N73 PolarHBondContact OD1-N 2.94Å; D70-N73 PolarHBondContact OD1-ND2 3.34Å; D70-N73 PolarHBondContact OD2-ND2 2.91Å; N73-V75 HydrophobicContact CB-CG2 4.18Å; N73-V75 WeakPolarHBondContact O-CG2 3.35Å; N73-V75 PolarHBondContact O-N 3.3Å
74Q92.6Very high93.7Very high75 Ų7545.7 Ų45.735%0.3521%0.211SC..THydrogen-bonded Turntrans58.244.4-178.7-60.3-175.3-35.200112.6D70 E71 S153 C154 P290D70-Q74 WeakPolarHBondContact O-CA 3.38Å; D70-Q74 PolarHBondContact O-N 2.87Å; E71-Q74 PolarHBondContact O-N 3.4Å; Q74-S153 WeakPolarHBondContact O-CA 3.39Å; Q74-C154 CarbonylContact C-O 3.51Å; Q74-C154 WeakPolarHBondContact CB-O 3.48Å; Q74-C154 PolarHBondContact O-N 3.42Å; Q74-P290 HydrophobicContact CG-CB 4.21Å
75V94.2Very high93.9Very high21 Ų2146.1 Ų46.113%0.12721%0.211CC..EExtended strand (participates in β ladder)trans-121123.7-177.5-1790000111.1D70 N73 A122 R151 S152D70-V75 HydrophobicContact CB-CB 4.39Å; D70-V75 PolarHBondContact N-O 2.85Å; D70-V75 PolarHBondContact O-N 3.48Å; N73-V75 HydrophobicContact CB-CG2 4.18Å; N73-V75 WeakPolarHBondContact O-CG2 3.35Å; N73-V75 PolarHBondContact O-N 3.3Å; V75-A122 HydrophobicContact CB-CB 4.45Å; V75-A122 HydrophobicContact CG1-CB 3.92Å; V75-A122 HydrophobicContact CG2-CB 3.72Å; V75-R151 HydrophobicContact CG1-CB 4.17Å; V75-S152 WeakPolarHBondContact CA-O 3.4Å
76L95.4Very high94Very high0 Ų042.5 Ų42.50%019%0.194CC..EExtended strand (participates in β ladder)trans-99.3125.5172.2175.262000110.2I66 M69 L78 R151 S152 C154 C168 L230I66-L76 HydrophobicContact CG2-CD1 4.24Å; M69-L76 HydrophobicContact CB-CD1 4.5Å; M69-L76 HydrophobicContact CE-CB 4.35Å; M69-L76 HydrophobicContact CE-CD1 3.66Å; M69-L76 HydrophobicContact CE-CD2 4.44Å; M69-L76 HydrophobicContact CE-CG 4.35Å; M69-L76 HydrophobicContact SD-CB 3.94Å; M69-L76 HydrophobicContact SD-CD1 3.9Å; M69-L76 HydrophobicContact SD-CG 4.46Å; L76-L78 HydrophobicContact CD1-CD2 3.68Å; L76-L78 HydrophobicContact CD1-CG 4.22Å; L76-L78 HydrophobicContact CD2-CD1 3.94Å; L76-L78 HydrophobicContact CD2-CD2 4.06Å; L76-L78 HydrophobicContact CD2-CG 4.02Å; L76-L78 HydrophobicContact CG-CD1 4.33Å; L76-L78 HydrophobicContact CG-CD2 3.87Å; L76-L78 HydrophobicContact CG-CG 3.85Å; L76-R151 WeakPolarHBondContact O-CA 3.28Å; L76-S152 PolarHBondContact N-O 2.99Å; L76-S152 PolarHBondContact O-N 3.41Å; L76-S152 PolarHBondContact O-OG 2.86Å; L76-C154 HydrophobicContact CB-CB 4.18Å; L76-C168 HydrophobicContact CD2-CB 3.48Å; L76-C168 VanDerWaalsContact CD2-CB 3.48Å; L76-L230 HydrophobicContact CD2-CD2 3.95Å
77T95.1Very high94Very high8 Ų845.4 Ų45.45%0.04921%0.212CC..EExtended strand (participates in β ladder)trans-108.5115.2176.5-51.30000110.8I67 D68 I149 T150 R151I67-T77 HydrophobicContact CB-CG2 3.9Å; I67-T77 HydrophobicContact CD1-CG2 4.06Å; I67-T77 HydrophobicContact CG2-CG2 4.07Å; I67-T77 PolarHBondContact N-O 3.42Å; D68-T77 PolarHBondContact N-O 3.18Å; D68-T77 PolarHBondContact O-N 2.87Å; T77-I149 HydrophobicContact CG2-CG2 3.83Å; T77-T150 CarbonylContact C-O 3.6Å; T77-T150 VanDerWaalsContact CA-O 3.31Å; T77-T150 WeakPolarHBondContact CA-O 3.46Å; T77-R151 HydrophobicContact CG2-CG 3.68Å; T77-R151 PolarHBondContact OG1-NE 3.45Å
78L95.2Very high94.1Very high0 Ų042 Ų420%020%0.195CC..EExtended strand (participates in β ladder)trans-120.9147.2-179.3-57.3179.2000111.7L63 I66 L76 L80 I149 T150 L170 L230L63-L78 HydrophobicContact CD1-CB 4.36Å; L63-L78 HydrophobicContact CD1-CD1 4.24Å; L63-L78 HydrophobicContact CD1-CD2 4.08Å; L63-L78 HydrophobicContact CD1-CG 4.46Å; I66-L78 HydrophobicContact CB-CD2 4.16Å; I66-L78 HydrophobicContact CG1-CD2 3.77Å; I66-L78 HydrophobicContact CG2-CD2 4.19Å; L76-L78 HydrophobicContact CD1-CD2 3.68Å; L76-L78 HydrophobicContact CD1-CG 4.22Å; L76-L78 HydrophobicContact CD2-CD1 3.94Å; L76-L78 HydrophobicContact CD2-CD2 4.06Å; L76-L78 HydrophobicContact CD2-CG 4.02Å; L76-L78 HydrophobicContact CG-CD1 4.33Å; L76-L78 HydrophobicContact CG-CD2 3.87Å; L76-L78 HydrophobicContact CG-CG 3.85Å; L78-L80 HydrophobicContact CB-CD1 4.48Å; L78-L80 HydrophobicContact CB-CD2 3.9Å; L78-L80 HydrophobicContact CB-CG 3.97Å; L78-L80 HydrophobicContact CD1-CD2 4.09Å; L78-I149 CarbonylContact O-C 3.55Å; L78-I149 WeakPolarHBondContact O-CA 3.39Å; L78-T150 PolarHBondContact N-O 3.03Å; L78-T150 PolarHBondContact O-N 3.33Å; L78-T150 PolarHBondContact O-OG1 3.26Å; L78-L170 HydrophobicContact CD1-CD1 3.77Å; L78-L170 HydrophobicContact CD1-CD2 3.94Å; L78-L170 HydrophobicContact CD1-CG 4.5Å; L78-L230 HydrophobicContact CD1-CD2 4.04Å; L78-L230 HydrophobicContact CD2-CD2 3.96Å
79Y94.3Very high94.2Very high62 Ų6240 Ų4024%0.24319%0.189CC..EExtended strand (participates in β ladder)trans-98.5114.8162.7-169-118.3000109.5S64 Q65 W81 P147 I149S64-Y79 PolarHBondContact N-O 3.46Å; S64-Y79 WeakPolarHBondContact OG-CD1 3.49Å; Q65-Y79 HydrophobicContact CG-CD1 4.29Å; Q65-Y79 HydrophobicContact CG-CG 4.31Å; Q65-Y79 PolarHBondContact N-O 2.85Å; Q65-Y79 PolarHBondContact O-N 2.92Å; Y79-W81 AromaticContact CE1-NE1 3.94Å; Y79-P147 HydrophobicContact CE2-CB 4.06Å; Y79-P147 VanDerWaalsContact OH-CB 3.28Å; Y79-P147 WeakPolarHBondContact OH-CB 3.45Å; Y79-I149 HydrophobicContact CD2-CG1 3.66Å; Y79-I149 HydrophobicContact CE2-CG1 4.22Å
80L94.4Very high94.2Very high0 Ų046.3 Ų46.30%021%0.213CC..EExtended strand (participates in β ladder)trans-120.4146.7-175.2-56.4179.7000110.3V61 T62 L63 L78 I82 P147 A148 T150 L170 F172V61-L80 HydrophobicContact CG1-CB 4.38Å; V61-L80 HydrophobicContact CG1-CD1 4.11Å; V61-L80 HydrophobicContact CG1-CD2 4.15Å; V61-L80 HydrophobicContact CG1-CG 4.45Å; T62-L80 WeakPolarHBondContact O-CA 3.5Å; L63-L80 HydrophobicContact CB-CD2 4.31Å; L63-L80 HydrophobicContact CD1-CD2 3.59Å; L78-L80 HydrophobicContact CB-CD1 4.48Å; L78-L80 HydrophobicContact CB-CD2 3.9Å; L78-L80 HydrophobicContact CB-CG 3.97Å; L78-L80 HydrophobicContact CD1-CD2 4.09Å; L80-I82 HydrophobicContact CB-CG1 4.22Å; L80-P147 CarbonylContact O-C 3.59Å; L80-P147 WeakPolarHBondContact O-CA 3.48Å; L80-A148 PolarHBondContact N-O 3.27Å; L80-A148 PolarHBondContact O-N 3.05Å; L80-T150 HydrophobicContact CD1-CG2 3.99Å; L80-T150 WeakPolarHBondContact CD1-OG1 3.44Å; L80-L170 HydrophobicContact CD1-CD2 4.12Å; L80-F172 HydrophobicContact CD1-CZ 4.28Å
81W93.8Very high94.4Very high101 Ų10144.1 Ų44.138%0.38320%0.202SC..EExtended strand (participates in β ladder)trans-97.4118.3160-61.669000107.4V61 T62 Y79V61-W81 WeakPolarHBondContact CA-O 3.23Å; T62-W81 PolarHBondContact N-O 3.01Å; T62-W81 PolarHBondContact O-N 3.4Å; Y79-W81 AromaticContact CE1-NE1 3.94Å
82I94.3Very high94.6Very high17 Ų1747.7 Ų47.79%0.08722%0.218CC..EExtended strand (participates in β ladder)trans-106.4109.6-179.4-55.7178.1000107L59 L80 Q84 A146 A148 T150 F172L59-I82 HydrophobicContact CD1-CG2 3.71Å; L80-I82 HydrophobicContact CB-CG1 4.22Å; I82-Q84 HydrophobicContact CG2-CG 4.26Å; I82-A146 PolarHBondContact N-O 3.22Å; I82-A146 PolarHBondContact O-N 2.91Å; I82-A148 HydrophobicContact CD1-CB 3.75Å; I82-A148 HydrophobicContact CG1-CB 4.31Å; I82-T150 HydrophobicContact CD1-CG2 4.49Å; I82-F172 HydrophobicContact CD1-CE1 3.88Å; I82-F172 HydrophobicContact CD1-CZ 4.23Å
83R95.1Very high94.9Very high74 Ų7441.5 Ų41.528%0.27920%0.195SC..EExtended strand (participates in β ladder)trans-103126175.9-178.7-179.1-63.7152.11.3110E60 R143 W144 D145E60-R83 HydrophobicContact CB-CB 4.17Å; E60-R83 PolarHBondContact N-O 2.9Å; E60-R83 PolarHBondContact O-N 2.85Å; E60-R83 IonicContact OE1-NH1 3Å; E60-R83 WeakPolarHBondContact OE2-CD 3.48Å; E60-R83 IonicContact OE2-CZ 3.39Å; E60-R83 IonicContact OE2-NH1 2.8Å; E60-R83 PolarHBondContact OE2-NH1 3.5Å; R83-R143 HydrophobicContact CG-CG 3.98Å; R83-W144 CarbonylContact C-O 3.51Å; R83-W144 WeakPolarHBondContact CA-O 3.27Å; R83-D145 IonicContact CZ-OD2 2.99Å; R83-D145 VanDerWaalsContact CZ-OD2 3.31Å; R83-D145 IonicContact NE-OD2 2.99Å; R83-D145 PolarHBondContact NE-OD2 3.39Å; R83-D145 IonicContact NH2-OD2 3.64Å; R83-D145 PolarHBondContact NH2-OD2 2.98Å
84Q96.2Very high95.2Very high11 Ų1140.8 Ų40.85%0.05119%0.191CC..EExtended strand (participates in β ladder)trans-117.8132.2177.8-61.717566.700108.1T58 L59 I82 W86 I116 R143 W144T58-Q84 WeakPolarHBondContact O-CA 3.36Å; L59-Q84 HydrophobicContact CD1-CG 3.96Å; I82-Q84 HydrophobicContact CG2-CG 4.26Å; Q84-W86 HydrophobicContact CB-CE3 4.27Å; Q84-W86 HydrophobicContact CB-CZ3 4Å; Q84-I116 VanDerWaalsContact OE1-CG1 3.27Å; Q84-R143 WeakPolarHBondContact O-CA 3.47Å; Q84-W144 PolarHBondContact N-O 3.31Å; Q84-W144 PolarHBondContact O-N 3.45Å
85E97.4Very high95.3Very high28 Ų2838.3 Ų38.313%0.13118%0.182CC..EExtended strand (participates in β ladder)trans-130.4125.2177.3-169.2171.891.100109.6T58 T141 V142 R143 R187T58-E85 PolarHBondContact N-O 3.43Å; T58-E85 PolarHBondContact O-N 3.2Å; E85-T141 HydrophobicContact CG-CG2 3.71Å; E85-V142 WeakPolarHBondContact CA-O 3.16Å; E85-R143 IonicContact OE2-CZ 3.31Å; E85-R143 IonicContact OE2-NE 2.76Å; E85-R143 PolarHBondContact OE2-NE 3.39Å; E85-R143 IonicContact OE2-NH2 2.94Å; E85-R143 PolarHBondContact OE2-NH2 3.46Å; E85-R187 IonicContact OE1-CZ 3.35Å; E85-R187 VanDerWaalsContact OE1-CZ 3.26Å; E85-R187 IonicContact OE1-NH1 3.37Å; E85-R187 PolarHBondContact OE1-NH1 3.33Å; E85-R187 IonicContact OE1-NH2 3.68Å; E85-R187 PolarHBondContact OE1-NH2 2.94Å; E85-R187 IonicContact OE2-NH2 3.76Å; E85-R187 PolarHBondContact OE2-NH2 3.48Å
86W97.2Very high95.3Very high3 Ų343.9 Ų43.91%0.01121%0.211CC..EExtended strand (participates in β ladder)trans-142.4167.3176.768.696000109.6L55 V57 Q84 V111 W112 P114 V142 W144L55-W86 HydrophobicContact CD2-CB 4.48Å; V57-W86 HydrophobicContact CG2-CB 4.31Å; Q84-W86 HydrophobicContact CB-CE3 4.27Å; Q84-W86 HydrophobicContact CB-CZ3 4Å; W86-V111 HydrophobicContact CZ2-CG2 4.37Å; W86-W112 WeakPolarHBondContact CZ2-O 3.38Å; W86-W112 AromaticContact NE1-CE3 3.92Å; W86-P114 HydrophobicContact CE3-CG 4.14Å; W86-P114 HydrophobicContact CZ3-CG 4.33Å; W86-V142 HydrophobicContact CD2-CB 4.03Å; W86-V142 HydrophobicContact CD2-CG1 4.41Å; W86-V142 HydrophobicContact CH2-CB 4.29Å; W86-V142 HydrophobicContact CH2-CG1 3.61Å; W86-V142 HydrophobicContact CZ2-CB 3.76Å; W86-V142 HydrophobicContact CZ2-CG1 3.31Å; W86-V142 HydrophobicContact CZ2-CG2 4.38Å; W86-V142 HydrophobicContact CZ3-CG1 4.26Å; W86-V142 PolarHBondContact N-O 3.41Å; W86-V142 PolarHBondContact O-N 3.31Å; W86-W144 HydrophobicContact CH2-CB 3.86Å; W86-W144 HydrophobicContact CZ3-CB 3.77Å
87T97Very high95.1Very high69 Ų6946.8 Ų46.842%0.42324%0.235SC..EExtended strand (participates in β ladder)trans-109130.2177.1-53.50000109.4L55 G140L55-T87 WeakPolarHBondContact CD1-O 3.41Å; T87-G140 CarbonylContact C-O 3.59Å; T87-G140 WeakPolarHBondContact CA-O 3.43Å
88D96.6Very high95Very high0 Ų048 Ų480%024%0.239CC..  trans-103.4116.5175-170.7-42.5000109.4Y41 P47 Y90 L91 G140 V142Y41-D88 VanDerWaalsContact CE2-OD2 3.29Å; Y41-D88 WeakPolarHBondContact CE2-OD2 3.39Å; Y41-D88 PolarHBondContact OH-OD2 2.93Å; P47-D88 HydrophobicContact CB-CB 3.91Å; P47-D88 VanDerWaalsContact CB-OD1 3.28Å; P47-D88 WeakPolarHBondContact CB-OD1 3.25Å; P47-D88 VanDerWaalsContact CB-OD2 3.23Å; P47-D88 WeakPolarHBondContact CB-OD2 3.32Å; P47-D88 HydrophobicContact CG-CB 4.2Å; D88-Y90 PolarHBondContact O-N 3.33Å; D88-Y90 PolarHBondContact OD1-N 2.91Å; D88-L91 HydrophobicContact CB-CB 4.12Å; D88-L91 HydrophobicContact CB-CD1 4.15Å; D88-L91 HydrophobicContact CB-CG 4.25Å; D88-L91 PolarHBondContact O-N 3.09Å; D88-L91 PolarHBondContact OD1-N 3.25Å; D88-L91 WeakPolarHBondContact OD2-CD1 3.47Å; D88-G140 PolarHBondContact N-O 2.84Å; D88-V142 HydrophobicContact CB-CG2 3.99Å
89A94.5Very high94.7Very high37 Ų3750 Ų5031%0.30626%0.259SS..THydrogen-bonded Turntrans-67-20.3-176.400000113.8P47 A49P47-A89 PolarHBondContact O-N 3.26Å; A49-A89 HydrophobicContact CB-CB 4.38Å
90Y94.4Very high94.5Very high139 Ų13949.5 Ų49.555%0.54527%0.273SS..THydrogen-bonded Turntrans-97.9-12.7-175.3-58.1-73.7000113.2P47 V48 D88P47-Y90 HydrophobicContact CB-CD2 4.34Å; V48-Y90 PolarHBondContact O-OH 3.39Å; V48-Y90 VanDerWaalsContact O-OH 3.05Å; D88-Y90 PolarHBondContact O-N 3.33Å; D88-Y90 PolarHBondContact OD1-N 2.91Å
91L95.3Very high94.4Very high0 Ų050.6 Ų50.60%028%0.278CS..SBendtrans-10652.3-175.6-63.7-179.3000112.5L37 F38 Y41 D88 V111 L136 G140L37-L91 HydrophobicContact CB-CD2 4.25Å; F38-L91 HydrophobicContact CE1-CD2 4.34Å; F38-L91 HydrophobicContact CE2-CD2 4.46Å; F38-L91 HydrophobicContact CZ-CD1 4.46Å; F38-L91 HydrophobicContact CZ-CD2 4.08Å; Y41-L91 HydrophobicContact CD2-CD1 4.45Å; Y41-L91 HydrophobicContact CD2-CD2 3.61Å; Y41-L91 HydrophobicContact CD2-CG 3.92Å; Y41-L91 HydrophobicContact CE2-CD1 3.78Å; Y41-L91 HydrophobicContact CE2-CD2 3.79Å; Y41-L91 HydrophobicContact CE2-CG 3.58Å; Y41-L91 HydrophobicContact CG-CD2 4.06Å; D88-L91 HydrophobicContact CB-CB 4.12Å; D88-L91 HydrophobicContact CB-CD1 4.15Å; D88-L91 HydrophobicContact CB-CG 4.25Å; D88-L91 PolarHBondContact O-N 3.09Å; D88-L91 PolarHBondContact OD1-N 3.25Å; D88-L91 WeakPolarHBondContact OD2-CD1 3.47Å; L91-V111 HydrophobicContact CD1-CG1 3.77Å; L91-L136 HydrophobicContact CB-CD1 3.77Å; L91-L136 HydrophobicContact CB-CD2 3.97Å; L91-L136 HydrophobicContact CD1-CD1 4.21Å; L91-L136 HydrophobicContact CD1-CD2 4.17Å; L91-G140 WeakPolarHBondContact O-CA 3.16Å
92Q95.4Very high94.3Very high104 Ų10449.5 Ų49.549%0.48628%0.28SS..  trans-115.8147.1-179.4-59.1-177.414.300111.2H138Q92-H138 WeakPolarHBondContact CA-O 3.39Å
93W95.3Very high94.4Very high21 Ų2150.6 Ų50.68%0.0829%0.291CS..  trans-150.5160.6174.368.993.9000111.9L33 L37 P95 Y98 L101 I104 L136 R137 H138L33-W93 HydrophobicContact CD1-CB 3.71Å; L33-W93 HydrophobicContact CD1-CD2 3.79Å; L33-W93 HydrophobicContact CD1-CE3 4.31Å; L33-W93 HydrophobicContact CD1-CG 3.5Å; L33-W93 HydrophobicContact CD2-CD2 3.92Å; L33-W93 HydrophobicContact CD2-CG 4.21Å; L33-W93 HydrophobicContact CD2-CZ2 4.01Å; L33-W93 HydrophobicContact CG-CD2 4.43Å; L37-W93 HydrophobicContact CD1-CE3 3.82Å; L37-W93 HydrophobicContact CD1-CZ3 4.06Å; L37-W93 HydrophobicContact CD2-CE3 4.27Å; W93-P95 WeakPolarHBondContact O-CD 3.2Å; W93-Y98 HydrophobicContact CB-CD2 4.23Å; W93-Y98 HydrophobicContact CB-CE2 4.06Å; W93-Y98 AromaticContact CD1-CD2 3.85Å; W93-Y98 HydrophobicContact CG-CD2 4.32Å; W93-L101 PolarHBondContact NE1-O 3.32Å; W93-I104 HydrophobicContact CH2-CG1 4.26Å; W93-L136 HydrophobicContact CH2-CD2 4.25Å; W93-L136 HydrophobicContact CH2-CG 3.97Å; W93-L136 HydrophobicContact CZ3-CD1 4.45Å; W93-L136 HydrophobicContact CZ3-CD2 3.73Å; W93-L136 HydrophobicContact CZ3-CG 3.71Å; W93-R137 WeakPolarHBondContact CH2-O 3.4Å; W93-R137 WeakPolarHBondContact CZ3-O 3.32Å; W93-H138 HydrophobicContact CD2-CB 3.99Å; W93-H138 HydrophobicContact CG-CB 4.39Å; W93-H138 HydrophobicContact CH2-CB 4.36Å; W93-H138 VanDerWaalsContact CH2-N 3.33Å; W93-H138 VanDerWaalsContact CZ2-CA 3.48Å; W93-H138 HydrophobicContact CZ2-CB 3.78Å; W93-H138 PolarHBondContact N-O 3.49Å
94D95.9Very high94.3Very high86 Ų8648 Ų4846%0.4628%0.283SS..  trans-86.1117170.3177.89.2000109.7N96 A97D94-N96 PolarHBondContact O-N 2.93Å; D94-N96 VanDerWaalsContact O-N 3.14Å; D94-N96 WeakPolarHBondContact OD1-CB 3.29Å; D94-N96 PolarHBondContact OD1-N 3.11Å; D94-N96 PolarHBondContact OD1-ND2 3.35Å; D94-A97 HydrophobicContact CB-CB 4.41Å; D94-A97 PolarHBondContact O-N 3.02Å; D94-A97 VanDerWaalsContact O-N 3.11Å
95P94.5Very high94.3Very high24 Ų2456.9 Ų56.916%0.15632%0.316CS..G310 helixtrans-53.9-33.5177.6-27.235.7000113.1W93 A97 Y98 G99 G100 H138W93-P95 WeakPolarHBondContact O-CD 3.2Å; P95-A97 VanDerWaalsContact C-N 3.28Å; P95-A97 PolarHBondContact O-N 3.3Å; P95-Y98 CarbonylContact O-C 3.56Å; P95-Y98 PolarHBondContact O-N 2.96Å; P95-Y98 VanDerWaalsContact O-N 3.12Å; P95-G99 PolarHBondContact O-N 3.49Å; P95-G100 WeakPolarHBondContact O-CA 3.4Å; P95-G100 PolarHBondContact O-N 3.46Å; P95-H138 HydrophobicContact CG-CB 3.73Å
96N93.2Very high94.1Very high137 Ų13756 Ų5673%0.73331%0.312SS*.G310 helixtrans-65.1-32.7-177.8-59.9-57.6000112.3D94 Y98D94-N96 PolarHBondContact O-N 2.93Å; D94-N96 VanDerWaalsContact O-N 3.14Å; D94-N96 WeakPolarHBondContact OD1-CB 3.29Å; D94-N96 PolarHBondContact OD1-N 3.11Å; D94-N96 PolarHBondContact OD1-ND2 3.35Å; N96-Y98 PolarHBondContact O-N 3.3Å
97A92.5Very high94Very high61 Ų6158.8 Ų58.850%0.50433%0.33SS..G310 helixtrans-73-16.3177.800000113.5D94 P95D94-A97 HydrophobicContact CB-CB 4.41Å; D94-A97 PolarHBondContact O-N 3.02Å; D94-A97 VanDerWaalsContact O-N 3.11Å; P95-A97 VanDerWaalsContact C-N 3.28Å; P95-A97 PolarHBondContact O-N 3.3Å
98Y92.9Very high93.8Very high35 Ų3555.7 Ų55.714%0.13731%0.312CS..G310 helixtrans-124.730.7-175.8-62.7-84.1000112.2K32 L33 D36 W93 P95 N96 G100 L101K32-Y98 HydrophobicContact CD-CE1 4.33Å; K32-Y98 HydrophobicContact CG-CE1 4.36Å; L33-Y98 HydrophobicContact CB-CD1 3.61Å; L33-Y98 HydrophobicContact CB-CE1 3.8Å; L33-Y98 HydrophobicContact CB-CG 4.15Å; L33-Y98 HydrophobicContact CD1-CD1 4.09Å; L33-Y98 HydrophobicContact CD1-CD2 3.86Å; L33-Y98 HydrophobicContact CD1-CE1 3.98Å; L33-Y98 HydrophobicContact CD1-CE2 3.75Å; L33-Y98 HydrophobicContact CD1-CG 4.03Å; L33-Y98 HydrophobicContact CG-CD1 4.38Å; L33-Y98 HydrophobicContact CG-CG 4.5Å; D36-Y98 PolarHBondContact OD2-OH 3.32Å; W93-Y98 HydrophobicContact CB-CD2 4.23Å; W93-Y98 HydrophobicContact CB-CE2 4.06Å; W93-Y98 AromaticContact CD1-CD2 3.85Å; W93-Y98 HydrophobicContact CG-CD2 4.32Å; P95-Y98 CarbonylContact O-C 3.56Å; P95-Y98 PolarHBondContact O-N 2.96Å; P95-Y98 VanDerWaalsContact O-N 3.12Å; N96-Y98 PolarHBondContact O-N 3.3Å; Y98-G100 PolarHBondContact O-N 2.99Å; Y98-L101 VanDerWaalsContact O-CD1 3.25Å; Y98-L101 WeakPolarHBondContact O-CD1 3.45Å
99G88Confident93.5Very high42 Ų4259.4 Ų59.443%0.43334%0.338SS..THydrogen-bonded Turntrans7033.317200000114.5A25 P95A25-G99 WeakPolarHBondContact CB-O 3.24Å; P95-G99 PolarHBondContact O-N 3.49Å
100G91.3Very high93.5Very high51 Ų5160.8 Ų60.853%0.52634%0.34SS..THydrogen-bonded Turntrans79.515.4178.200000114.5P95 Y98 D102P95-G100 WeakPolarHBondContact O-CA 3.4Å; P95-G100 PolarHBondContact O-N 3.46Å; Y98-G100 PolarHBondContact O-N 2.99Å; G100-D102 PolarHBondContact O-N 2.91Å
101L91Very high93.5Very high22 Ų2254.3 Ų54.312%0.11532%0.315CS..  trans-64.3105.3175.6-98.5145.2000110.6A25 L29 A30 W93 Y98 I104A25-L101 HydrophobicContact CB-CD1 3.48Å; A25-L101 VanDerWaalsContact CB-CD1 3.48Å; A25-L101 HydrophobicContact CB-CG 3.59Å; L29-L101 HydrophobicContact CB-CD1 4.13Å; A30-L101 HydrophobicContact CB-CD1 4Å; A30-L101 HydrophobicContact CB-CD2 4.3Å; W93-L101 PolarHBondContact NE1-O 3.32Å; Y98-L101 VanDerWaalsContact O-CD1 3.25Å; Y98-L101 WeakPolarHBondContact O-CD1 3.45Å; L101-I104 HydrophobicContact CD2-CG2 3.88Å
102D93.3Very high93.6Very high79 Ų7955.1 Ų55.142%0.42232%0.318SS..  trans-87.8-31.7179.4-178.262.8000113G100 R137 H138G100-D102 PolarHBondContact O-N 2.91Å; D102-R137 CarbonylContact O-C 3.42Å; D102-R137 WeakPolarHBondContact O-CA 3.24Å; D102-H138 PolarHBondContact O-N 2.9Å; D102-H138 IonicContact OD1-CD2 3.58Å; D102-H138 PolarHBondContact OD1-CD2 2.89Å; D102-H138 IonicContact OD1-NE2 3.78Å
103A95Very high93.5Very high39 Ų3954.3 Ų54.332%0.32231%0.31SS..EExtended strand (participates in β ladder)trans-149.6149.8-177.200000112.5V135 L136 R137A103-V135 HydrophobicContact CB-CG1 4.28Å; A103-L136 CarbonylContact C-O 3.58Å; A103-L136 WeakPolarHBondContact CA-O 3.48Å; A103-L136 WeakPolarHBondContact CB-O 3.35Å; A103-R137 HydrophobicContact CB-CG 4.13Å
104I94.4Very high93.4Very high19 Ų1953.7 Ų53.710%0.09731%0.309CS..EExtended strand (participates in β ladder)trans-127.6155.9172.464.7174.2000111.1L33 L37 W93 L101 I106 L136L33-I104 HydrophobicContact CD2-CG2 3.9Å; L37-I104 HydrophobicContact CD1-CD1 4.16Å; W93-I104 HydrophobicContact CH2-CG1 4.26Å; L101-I104 HydrophobicContact CD2-CG2 3.88Å; I104-I106 HydrophobicContact CD1-CG2 4.09Å; I104-I106 HydrophobicContact CG1-CG2 4.35Å; I104-L136 HydrophobicContact CD1-CD2 4.02Å; I104-L136 HydrophobicContact CG1-CB 4.07Å; I104-L136 HydrophobicContact CG1-CD2 4.05Å; I104-L136 HydrophobicContact CG1-CG 4.41Å; I104-L136 PolarHBondContact N-O 3.5Å; I104-L136 PolarHBondContact O-N 3.03Å
105R94.6Very high93.2Very high199 Ų19951.3 Ų51.375%0.75130%0.296SS*.EExtended strand (participates in β ladder)trans-116.2119.2178-68.2171.2-178.7151.2-0.8109.2V134 V135R105-V134 WeakPolarHBondContact CA-O 3.32Å; R105-V135 HydrophobicContact CG-CG2 4.28Å
106I94.2Very high93.2Very high9 Ų951.5 Ų51.55%0.04630%0.296CS..EExtended strand (participates in β ladder)trans-134.1154.8-175.559.4176.2000110.8F34 F38 I104 S108 V111 N133 V134F34-I106 HydrophobicContact CD2-CG2 3.95Å; F34-I106 HydrophobicContact CE2-CG2 3.94Å; F38-I106 HydrophobicContact CE1-CD1 4.47Å; F38-I106 HydrophobicContact CE2-CD1 3.81Å; F38-I106 HydrophobicContact CZ-CD1 3.38Å; I104-I106 HydrophobicContact CD1-CG2 4.09Å; I104-I106 HydrophobicContact CG1-CG2 4.35Å; I106-S108 PolarHBondContact O-N 3.42Å; I106-V111 HydrophobicContact CD1-CG1 3.57Å; I106-V111 HydrophobicContact CG1-CG1 4.46Å; I106-N133 CarbonylContact O-C 3.51Å; I106-N133 VanDerWaalsContact O-CA 3.25Å; I106-N133 WeakPolarHBondContact O-CA 3.46Å; I106-N133 WeakPolarHBondContact O-CB 3.4Å; I106-V134 HydrophobicContact CD1-CG2 4.25Å; I106-V134 HydrophobicContact CG1-CG2 3.54Å; I106-V134 PolarHBondContact N-O 3.25Å; I106-V134 VanDerWaalsContact N-O 3.16Å; I106-V134 WeakPolarHBondContact O-CG2 3.45Å; I106-V134 PolarHBondContact O-N 3.44Å
107P94.3Very high93.1Very high61 Ų6147.3 Ų47.340%0.39628%0.275SS..EExtended strand (participates in β ladder)trans-54.9134.9173.5-26.234.1000112S109 L110 N133P107-S109 PolarHBondContact O-N 3.45Å; P107-S109 VanDerWaalsContact O-N 3.1Å; P107-L110 HydrophobicContact CB-CD1 4.46Å; P107-L110 HydrophobicContact CB-CG 4.38Å; P107-L110 HydrophobicContact CG-CD1 4.3Å; P107-L110 PolarHBondContact O-N 2.91Å; P107-L110 VanDerWaalsContact O-N 3.12Å; P107-N133 WeakPolarHBondContact CA-OD1 3.13Å
108S92.8Very high93.2Very high5 Ų545.6 Ų45.64%0.03526%0.257CS..G310 helixtrans-62.5-18.6-178.961.20000114I106 L110 R113 T132I106-S108 PolarHBondContact O-N 3.42Å; S108-L110 VanDerWaalsContact C-N 3.28Å; S108-L110 PolarHBondContact O-N 2.9Å; S108-R113 VanDerWaalsContact O-CD 3.24Å; S108-R113 WeakPolarHBondContact O-CD 3.5Å; S108-R113 PolarHBondContact O-NE 2.94Å; S108-R113 PolarHBondContact OG-NH1 3.24Å; S108-T132 WeakPolarHBondContact CB-O 3.48Å; S108-T132 PolarHBondContact N-O 3.26Å; S108-T132 PolarHBondContact OG-O 3.47Å
109S91.8Very high93.2Very high78 Ų7846.9 Ų46.955%0.54526%0.262SS..G310 helixtrans-71.9-17.4176.358.40000114.5P107P107-S109 PolarHBondContact O-N 3.45Å; P107-S109 VanDerWaalsContact O-N 3.1Å
110L93.7Very high93.4Very high66 Ų6646.5 Ų46.535%0.34625%0.25SC..G310 helixtrans-85.4-18.5-177.7-63.9179.2000113.2F34 F38 Y41 P107 S108F34-L110 HydrophobicContact CE2-CD1 3.9Å; F34-L110 HydrophobicContact CZ-CD1 3.79Å; F38-L110 HydrophobicContact CE1-CB 4.19Å; F38-L110 WeakPolarHBondContact CE1-O 3.46Å; Y41-L110 WeakPolarHBondContact CE1-O 3.35Å; P107-L110 HydrophobicContact CB-CD1 4.46Å; P107-L110 HydrophobicContact CB-CG 4.38Å; P107-L110 HydrophobicContact CG-CD1 4.3Å; P107-L110 PolarHBondContact O-N 2.91Å; P107-L110 VanDerWaalsContact O-N 3.12Å; S108-L110 VanDerWaalsContact C-N 3.28Å; S108-L110 PolarHBondContact O-N 2.9Å
111V95.2Very high93.4Very high3 Ų347.8 Ų47.82%0.01824%0.241CC..SBendtrans-107.5155.7-179.8-62.20000110.7F38 W86 L91 I106 R113 V134F38-V111 HydrophobicContact CE1-CG1 4.36Å; F38-V111 HydrophobicContact CZ-CG1 4.12Å; W86-V111 HydrophobicContact CZ2-CG2 4.37Å; L91-V111 HydrophobicContact CD1-CG1 3.77Å; I106-V111 HydrophobicContact CD1-CG1 3.57Å; I106-V111 HydrophobicContact CG1-CG1 4.46Å; V111-R113 HydrophobicContact CG2-CG 4.45Å; V111-V134 HydrophobicContact CG1-CG2 4.41Å; V111-V134 HydrophobicContact CG2-CG1 4.2Å; V111-V134 HydrophobicContact CG2-CG2 3.94Å
112W95.6Very high93.2Very high16 Ų1648.9 Ų48.96%0.06125%0.253CS..  trans-60138.9166.4179.791.2000109.4Y41 S43 L45 R46 P47 L55 W86 P114 L182Y41-W112 PolarHBondContact OH-N 3.18Å; S43-W112 WeakPolarHBondContact O-CA 3.42Å; S43-W112 VanDerWaalsContact O-CD1 3.27Å; L45-W112 VanDerWaalsContact C-CD1 3.44Å; R46-W112 HydrophobicContact CB-CZ2 4.46Å; R46-W112 HydrophobicContact CG-CH2 4.1Å; R46-W112 HydrophobicContact CG-CZ2 3.7Å; P47-W112 VanDerWaalsContact CD-CE3 3.41Å; P47-W112 HydrophobicContact CG-CB 4.44Å; P47-W112 HydrophobicContact CG-CD2 4.19Å; P47-W112 HydrophobicContact CG-CE3 3.81Å; P47-W112 HydrophobicContact CG-CG 4.49Å; P47-W112 HydrophobicContact CG-CZ3 4.42Å; L55-W112 HydrophobicContact CD2-CE3 4.17Å; L55-W112 HydrophobicContact CD2-CH2 3.34Å; L55-W112 HydrophobicContact CD2-CZ2 4.39Å; L55-W112 HydrophobicContact CD2-CZ3 3.21Å; W86-W112 WeakPolarHBondContact CZ2-O 3.38Å; W86-W112 AromaticContact NE1-CE3 3.92Å; W112-P114 VanDerWaalsContact CH2-CA 3.48Å; W112-P114 HydrophobicContact CH2-CB 3.64Å; W112-P114 HydrophobicContact CZ3-CB 3.82Å; W112-P114 HydrophobicContact CZ3-CG 4.21Å; W112-L182 HydrophobicContact CH2-CD1 4.03Å
113R93.6Very high92.6Very high88 Ų8847.5 Ų47.533%0.33225%0.246SC..  trans-126.4135.6178.2-65.7178.6-67-179.84.4109.5S108 V111S108-R113 VanDerWaalsContact O-CD 3.24Å; S108-R113 WeakPolarHBondContact O-CD 3.5Å; S108-R113 PolarHBondContact O-NE 2.94Å; S108-R113 PolarHBondContact OG-NH1 3.24Å; V111-R113 HydrophobicContact CG2-CG 4.45Å
114P94.3Very high91.1Very high7 Ų751 Ų515%0.04528%0.275CS..  trans-65.3142.917329.3-34.4000110V57 W86 W112 I116 L182V57-P114 HydrophobicContact CG1-CB 4.46Å; V57-P114 HydrophobicContact CG1-CG 4.1Å; V57-P114 HydrophobicContact CG2-CB 3.98Å; V57-P114 HydrophobicContact CG2-CG 4.23Å; W86-P114 HydrophobicContact CE3-CG 4.14Å; W86-P114 HydrophobicContact CZ3-CG 4.33Å; W112-P114 VanDerWaalsContact CH2-CA 3.48Å; W112-P114 HydrophobicContact CH2-CB 3.64Å; W112-P114 HydrophobicContact CZ3-CB 3.82Å; W112-P114 HydrophobicContact CZ3-CG 4.21Å; P114-I116 HydrophobicContact CB-CD1 4.29Å; P114-I116 HydrophobicContact CB-CG1 4.05Å; P114-I116 HydrophobicContact CG-CG1 4.23Å; P114-I116 PolarHBondContact O-N 2.83Å; P114-L182 HydrophobicContact CB-CD1 4Å
115D92.1Very high89.6Confident37 Ų3757.6 Ų57.620%0.19831%0.305CS..  trans-86.153.5-178.464.1-33.5000111.5V117 S174 W175 T176 H177D115-V117 PolarHBondContact O-N 2.91Å; D115-S174 VanDerWaalsContact CG-OG 3.31Å; D115-S174 WeakPolarHBondContact O-CA 3.29Å; D115-S174 PolarHBondContact OD1-OG 2.86Å; D115-S174 PolarHBondContact OD2-OG 2.84Å; D115-W175 PolarHBondContact O-N 3.34Å; D115-W175 PolarHBondContact OD2-N 3.07Å; D115-T176 WeakPolarHBondContact OD2-CB 3.28Å; D115-T176 PolarHBondContact OD2-N 3.49Å; D115-T176 PolarHBondContact OD2-OG1 2.95Å; D115-H177 IonicContact OD1-CE1 2.93Å; D115-H177 IonicContact OD1-ND1 2.73Å; D115-H177 PolarHBondContact OD1-ND1 2.92Å; D115-H177 IonicContact OD2-ND1 2.75Å
116I93.4Very high87.8Confident28 Ų2858.9 Ų58.914%0.14431%0.31CS..EExtended strand (participates in β ladder)trans-72.7119.5178.1-54-55.7000109.6V57 Q84 P114 F172 G173 L182 V184V57-I116 HydrophobicContact CG1-CG1 4.46Å; Q84-I116 VanDerWaalsContact OE1-CG1 3.27Å; P114-I116 HydrophobicContact CB-CD1 4.29Å; P114-I116 HydrophobicContact CB-CG1 4.05Å; P114-I116 HydrophobicContact CG-CG1 4.23Å; P114-I116 PolarHBondContact O-N 2.83Å; I116-F172 HydrophobicContact CG2-CB 4.02Å; I116-F172 HydrophobicContact CG2-CD1 4.33Å; I116-G173 WeakPolarHBondContact CA-O 3.39Å; I116-L182 HydrophobicContact CD1-CD2 4.34Å; I116-V184 HydrophobicContact CD1-CG2 3.62Å
117V92.1Very high86Confident49 Ų4963.3 Ų63.330%0.29734%0.34SS..EExtended strand (participates in β ladder)trans-124.7155-179.1-61.30000111.1D115 Y119 F172 G173 W175D115-V117 PolarHBondContact O-N 2.91Å; V117-Y119 HydrophobicContact CG2-CD1 3.77Å; V117-Y119 HydrophobicContact CG2-CE1 3.67Å; V117-F172 WeakPolarHBondContact O-CA 3.32Å; V117-G173 PolarHBondContact N-O 3.42Å; V117-G173 PolarHBondContact O-N 3.28Å; V117-G173 VanDerWaalsContact O-N 3.12Å; V117-W175 HydrophobicContact CG1-CB 4.33Å; V117-W175 HydrophobicContact CG2-CB 3.9Å; V117-W175 HydrophobicContact CG2-CD2 4.32Å; V117-W175 HydrophobicContact CG2-CE3 3.72Å; V117-W175 HydrophobicContact CG2-CG 4.44Å
118L93.5Very high84.3Confident25 Ų2564.2 Ų64.213%0.13136%0.36CS..EExtended strand (participates in β ladder)trans-84.7115.1169.2178.169.6000108.8N120 K121 L170 T171 F172L118-N120 WeakPolarHBondContact CD1-OD1 3.27Å; L118-K121 HydrophobicContact CD2-CB 4.27Å; L118-K121 HydrophobicContact CG-CB 4.4Å; L118-L170 HydrophobicContact CD1-CB 3.97Å; L118-L170 HydrophobicContact CD1-CD2 4.36Å; L118-T171 WeakPolarHBondContact CA-O 3.37Å; L118-F172 HydrophobicContact CB-CD1 4.41Å; L118-F172 HydrophobicContact CB-CE1 4.17Å; L118-F172 HydrophobicContact CD1-CE1 4.22Å; L118-F172 HydrophobicContact CD1-CE2 4.35Å; L118-F172 HydrophobicContact CD1-CZ 4.12Å
119Y92.4Very high82.6Confident61 Ų6167.9 Ų67.924%0.23939%0.385CS..THydrogen-bonded Turntrans-70.5-44.2-176.4-67.2-20.4000112.9V117 K121 T171 S174 W175 D225V117-Y119 HydrophobicContact CG2-CD1 3.77Å; V117-Y119 HydrophobicContact CG2-CE1 3.67Å; Y119-K121 PolarHBondContact O-N 3.37Å; Y119-K121 VanDerWaalsContact O-N 3.08Å; Y119-T171 HydrophobicContact CD2-CG2 3.7Å; Y119-T171 HydrophobicContact CE2-CG2 4.34Å; Y119-T171 HydrophobicContact CG-CG2 4.46Å; Y119-T171 PolarHBondContact N-O 3.47Å; Y119-S174 PolarHBondContact OH-O 3.24Å; Y119-W175 HydrophobicContact CD1-CE3 4.18Å; Y119-W175 HydrophobicContact CD1-CZ3 4.19Å; Y119-W175 HydrophobicContact CE1-CE3 4.01Å; Y119-W175 HydrophobicContact CE1-CZ3 4.39Å; Y119-D225 HydrophobicContact CE2-CB 4.06Å
120N93.6Very high81.3Confident34 Ų3465.1 Ų65.118%0.18237%0.367CS..THydrogen-bonded Turntrans-87.545.2-179.165.7-53.2000112.2L118 S152 S153 G169 T171L118-N120 WeakPolarHBondContact CD1-OD1 3.27Å; N120-S152 CarbonylContact O-C 3.58Å; N120-S152 VanDerWaalsContact O-CA 3.23Å; N120-S152 WeakPolarHBondContact O-CA 3.49Å; N120-S153 PolarHBondContact ND2-O 3.24Å; N120-S153 VanDerWaalsContact ND2-O 3.15Å; N120-S153 PolarHBondContact O-N 3.26Å; N120-S153 PolarHBondContact O-OG 3.42Å; N120-G169 PolarHBondContact ND2-O 3.4Å; N120-T171 PolarHBondContact OD1-N 2.86Å; N120-T171 VanDerWaalsContact OD1-N 3.13Å
121K91Very high80.3Confident79 Ų7967.3 Ų67.334%0.34339%0.388SS..BIsolated β-bridgetrans-77.1132.4179.2-173.8-177.5176.1-167.50111L118 Y119 D123 Q125 R151L118-K121 HydrophobicContact CD2-CB 4.27Å; L118-K121 HydrophobicContact CG-CB 4.4Å; Y119-K121 PolarHBondContact O-N 3.37Å; Y119-K121 VanDerWaalsContact O-N 3.08Å; K121-D123 VanDerWaalsContact CE-O 3.25Å; K121-D123 WeakPolarHBondContact CE-O 3.47Å; K121-Q125 PolarHBondContact NZ-O 2.98Å; K121-R151 WeakPolarHBondContact CA-O 3.49Å
122A87.2Confident80.1Confident44 Ų4469.1 Ų69.136%0.36440%0.399SS..  trans-92.5-19.2-179.500000114.2V75 R151V75-A122 HydrophobicContact CB-CB 4.45Å; V75-A122 HydrophobicContact CG1-CB 3.92Å; V75-A122 HydrophobicContact CG2-CB 3.72Å; A122-R151 PolarHBondContact N-O 3Å
123D79.2Confident80Confident51 Ų5172.7 Ų72.727%0.27342%0.419SS..  trans-92.5132.5-177.4-9022.3000113.3K121 Q125 R151K121-D123 VanDerWaalsContact CE-O 3.25Å; K121-D123 WeakPolarHBondContact CE-O 3.47Å; D123-Q125 VanDerWaalsContact C-N 3.29Å; D123-Q125 PolarHBondContact O-N 3.1Å; D123-R151 HydrophobicContact CB-CB 4.4Å; D123-R151 IonicContact OD1-CZ 2.76Å; D123-R151 IonicContact OD1-NE 2.7Å; D123-R151 IonicContact OD1-NH1 3.7Å; D123-R151 PolarHBondContact OD1-NH1 2.87Å; D123-R151 VanDerWaalsContact OD2-CD 3.22Å; D123-R151 WeakPolarHBondContact OD2-CD 3.04Å; D123-R151 IonicContact OD2-CZ 3.18Å; D123-R151 IonicContact OD2-NE 3.44Å; D123-R151 IonicContact OD2-NH1 2.75Å; D123-R151 PolarHBondContact OD2-NH1 3.16Å
124A63.2Low80.1Confident113 Ų11368.5 Ų68.593%0.93440%0.404SS*.  trans-74.1-15.2173.500000113.9
125Q63.8Low80.2Confident157 Ų15770.1 Ų70.173%0.73441%0.413SS*.SBendtrans-73.4135.9-178.1-166.7143.914.200110.8K121 D123K121-Q125 PolarHBondContact NZ-O 2.98Å; D123-Q125 VanDerWaalsContact C-N 3.29Å; D123-Q125 PolarHBondContact O-N 3.1Å
126R56.5Low80.4Confident226 Ų22668.3 Ų68.385%0.85340%0.404SS*.PPolyproline II helixtrans-52.7136.4176.8-78.7-177.5175.2105.3-0.2109.6G128R126-G128 PolarHBondContact O-N 2.83Å; R126-G128 VanDerWaalsContact O-N 3.15Å
127P57.5Low80.6Confident102 Ų10271.3 Ų71.366%0.66241%0.413SS*.PPolyproline II helixtrans-53.7126177.822.5-30000108.7S129P127-S129 PolarHBondContact O-N 3.18Å
128G57.9Low80.8Confident79 Ų7972 Ų7281%0.81441%0.413SS*.  trans-60.4108.9170.200000107.5R126 A130R126-G128 PolarHBondContact O-N 2.83Å; R126-G128 VanDerWaalsContact O-N 3.15Å; G128-A130 PolarHBondContact O-N 2.99Å
129S57.3Low81Confident82 Ų8274.2 Ų74.257%0.57343%0.425SS*.  trans-62.6109.8174.6162.20000107.7P127 S131P127-S129 PolarHBondContact O-N 3.18Å; S129-S131 PolarHBondContact O-N 2.94Å
130A64.4Low81.1Confident21 Ų2171.3 Ų71.317%0.17441%0.413CS..  trans-57.6112.6168.800000108.3G128 T132 A146G128-A130 PolarHBondContact O-N 2.99Å; A130-T132 HydrophobicContact CB-CG2 4.39Å; A130-T132 PolarHBondContact O-N 3.22Å; A130-A146 HydrophobicContact CB-CB 3.73Å
131S72.1Confident81.3Confident111 Ų11170.6 Ų70.678%0.77641%0.41SS*.  trans-81.443.717864.30000110.9S129S129-S131 PolarHBondContact O-N 2.94Å
132T90.5Very high81.6Confident41 Ų4166.8 Ų66.825%0.25239%0.394SS..PPolyproline II helixtrans-81.5157.2176.9580000110.3S108 A130 W144 D145S108-T132 WeakPolarHBondContact CB-O 3.48Å; S108-T132 PolarHBondContact N-O 3.26Å; S108-T132 PolarHBondContact OG-O 3.47Å; A130-T132 HydrophobicContact CB-CG2 4.39Å; A130-T132 PolarHBondContact O-N 3.22Å; T132-W144 PolarHBondContact OG1-NE1 2.89Å; T132-D145 PolarHBondContact OG1-O 2.91Å
133N94.4Very high82.1Confident91 Ų9167.4 Ų67.449%0.48739%0.387SS..EExtended strand (participates in β ladder)trans-79.1150.2174.3-68.2-16.8000110.3I106 P107I106-N133 CarbonylContact O-C 3.51Å; I106-N133 VanDerWaalsContact O-CA 3.25Å; I106-N133 WeakPolarHBondContact O-CA 3.46Å; I106-N133 WeakPolarHBondContact O-CB 3.4Å; P107-N133 WeakPolarHBondContact CA-OD1 3.13Å
134V95.8Very high82.9Confident0 Ų066.1 Ų66.10%038%0.378CS..EExtended strand (participates in β ladder)trans-91153167.5-620000110.2R105 I106 V111 V142 R143 W144R105-V134 WeakPolarHBondContact CA-O 3.32Å; I106-V134 HydrophobicContact CD1-CG2 4.25Å; I106-V134 HydrophobicContact CG1-CG2 3.54Å; I106-V134 PolarHBondContact N-O 3.25Å; I106-V134 VanDerWaalsContact N-O 3.16Å; I106-V134 WeakPolarHBondContact O-CG2 3.45Å; I106-V134 PolarHBondContact O-N 3.44Å; V111-V134 HydrophobicContact CG1-CG2 4.41Å; V111-V134 HydrophobicContact CG2-CG1 4.2Å; V111-V134 HydrophobicContact CG2-CG2 3.94Å; V134-V142 HydrophobicContact CB-CG1 3.95Å; V134-V142 HydrophobicContact CG1-CG1 4.22Å; V134-V142 HydrophobicContact CG2-CG1 4.22Å; V134-R143 WeakPolarHBondContact CA-O 3.44Å; V134-W144 HydrophobicContact CG1-CB 3.7Å; V134-W144 HydrophobicContact CG1-CG 3.73Å
135V96.9Very high84.3Confident41 Ų4162.6 Ų62.625%0.24834%0.344CS..EExtended strand (participates in β ladder)trans-101.7113.1167.3-175.50000107.1A103 R105 R143A103-V135 HydrophobicContact CB-CG1 4.28Å; R105-V135 HydrophobicContact CG-CG2 4.28Å; V135-R143 PolarHBondContact N-O 3.05Å; V135-R143 PolarHBondContact O-N 3.35Å
136L96.8Very high85.6Confident0 Ų055.5 Ų55.50%031%0.312CS..EExtended strand (participates in β ladder)trans-100.3130.2174.6172.669.7000108.4L37 L91 W93 A103 I104 V142L37-L136 HydrophobicContact CD1-CD2 4.2Å; L91-L136 HydrophobicContact CB-CD1 3.77Å; L91-L136 HydrophobicContact CB-CD2 3.97Å; L91-L136 HydrophobicContact CD1-CD1 4.21Å; L91-L136 HydrophobicContact CD1-CD2 4.17Å; W93-L136 HydrophobicContact CH2-CD2 4.25Å; W93-L136 HydrophobicContact CH2-CG 3.97Å; W93-L136 HydrophobicContact CZ3-CD1 4.45Å; W93-L136 HydrophobicContact CZ3-CD2 3.73Å; W93-L136 HydrophobicContact CZ3-CG 3.71Å; A103-L136 CarbonylContact C-O 3.58Å; A103-L136 WeakPolarHBondContact CA-O 3.48Å; A103-L136 WeakPolarHBondContact CB-O 3.35Å; I104-L136 HydrophobicContact CD1-CD2 4.02Å; I104-L136 HydrophobicContact CG1-CB 4.07Å; I104-L136 HydrophobicContact CG1-CD2 4.05Å; I104-L136 HydrophobicContact CG1-CG 4.41Å; I104-L136 PolarHBondContact N-O 3.5Å; I104-L136 PolarHBondContact O-N 3.03Å; L136-V142 HydrophobicContact CD1-CG2 3.62Å
137R97.4Very high87.3Confident91 Ų9146.7 Ų46.734%0.34328%0.284SS..EExtended strand (participates in β ladder)trans-103.3161.2175.5-77.7-174.6167.3148.2-2.4112.2W93 D102 A103 D139 G140 T141W93-R137 WeakPolarHBondContact CH2-O 3.4Å; W93-R137 WeakPolarHBondContact CZ3-O 3.32Å; D102-R137 CarbonylContact O-C 3.42Å; D102-R137 WeakPolarHBondContact O-CA 3.24Å; A103-R137 HydrophobicContact CB-CG 4.13Å; R137-D139 WeakPolarHBondContact CB-OD1 3.01Å; R137-D139 PolarHBondContact O-N 3.45Å; R137-G140 PolarHBondContact O-N 3.32Å; R137-T141 PolarHBondContact N-O 3.2Å
138H96.4Very high88.8Confident64 Ų6443 Ų4330%0.29626%0.262SS..THydrogen-bonded Turntrans-60.4-27-175.280.691.2000114.2Q92 W93 P95 D102 G140Q92-H138 WeakPolarHBondContact CA-O 3.39Å; W93-H138 HydrophobicContact CD2-CB 3.99Å; W93-H138 HydrophobicContact CG-CB 4.39Å; W93-H138 HydrophobicContact CH2-CB 4.36Å; W93-H138 VanDerWaalsContact CH2-N 3.33Å; W93-H138 VanDerWaalsContact CZ2-CA 3.48Å; W93-H138 HydrophobicContact CZ2-CB 3.78Å; W93-H138 PolarHBondContact N-O 3.49Å; P95-H138 HydrophobicContact CG-CB 3.73Å; D102-H138 PolarHBondContact O-N 2.9Å; D102-H138 IonicContact OD1-CD2 3.58Å; D102-H138 PolarHBondContact OD1-CD2 2.89Å; D102-H138 IonicContact OD1-NE2 3.78Å; H138-G140 PolarHBondContact O-N 2.95Å
139D96.3Very high90.5Very high70 Ų7044.7 Ų44.737%0.37425%0.251SS..THydrogen-bonded Turntrans-78.10.2176.467.7-22.8000113.4R137 T141R137-D139 WeakPolarHBondContact CB-OD1 3.01Å; R137-D139 PolarHBondContact O-N 3.45Å; D139-T141 VanDerWaalsContact C-N 3.31Å; D139-T141 VanDerWaalsContact CG-OG1 3.24Å; D139-T141 VanDerWaalsContact OD1-CB 3.24Å; D139-T141 WeakPolarHBondContact OD1-CB 3.49Å; D139-T141 PolarHBondContact OD1-N 3.45Å; D139-T141 PolarHBondContact OD1-OG1 3.06Å; D139-T141 PolarHBondContact OD2-OG1 3.19Å
140G95.4Very high92.1Very high0 Ų041.4 Ų41.40%023%0.228CC..SBendtrans84.22.7-175.600000113.6T87 D88 L91 R137 H138 V142T87-G140 CarbonylContact C-O 3.59Å; T87-G140 WeakPolarHBondContact CA-O 3.43Å; D88-G140 PolarHBondContact N-O 2.84Å; L91-G140 WeakPolarHBondContact O-CA 3.16Å; R137-G140 PolarHBondContact O-N 3.32Å; H138-G140 PolarHBondContact O-N 2.95Å; G140-V142 PolarHBondContact O-N 3.38Å
141T97.4Very high93.5Very high19 Ų1945 Ų4512%0.11724%0.237CC..EExtended strand (participates in β ladder)trans-69.7118.5175.3-62.60000109.9E85 R137 D139E85-T141 HydrophobicContact CG-CG2 3.71Å; R137-T141 PolarHBondContact N-O 3.2Å; D139-T141 VanDerWaalsContact C-N 3.31Å; D139-T141 VanDerWaalsContact CG-OG1 3.24Å; D139-T141 VanDerWaalsContact OD1-CB 3.24Å; D139-T141 WeakPolarHBondContact OD1-CB 3.49Å; D139-T141 PolarHBondContact OD1-N 3.45Å; D139-T141 PolarHBondContact OD1-OG1 3.06Å; D139-T141 PolarHBondContact OD2-OG1 3.19Å
142V97.5Very high94.6Very high0 Ų039.8 Ų39.80%020%0.2CC..EExtended strand (participates in β ladder)trans-102.5124174.8-1720000108.9E85 W86 D88 V134 L136 G140E85-V142 WeakPolarHBondContact CA-O 3.16Å; W86-V142 HydrophobicContact CD2-CB 4.03Å; W86-V142 HydrophobicContact CD2-CG1 4.41Å; W86-V142 HydrophobicContact CH2-CB 4.29Å; W86-V142 HydrophobicContact CH2-CG1 3.61Å; W86-V142 HydrophobicContact CZ2-CB 3.76Å; W86-V142 HydrophobicContact CZ2-CG1 3.31Å; W86-V142 HydrophobicContact CZ2-CG2 4.38Å; W86-V142 HydrophobicContact CZ3-CG1 4.26Å; W86-V142 PolarHBondContact N-O 3.41Å; W86-V142 PolarHBondContact O-N 3.31Å; D88-V142 HydrophobicContact CB-CG2 3.99Å; V134-V142 HydrophobicContact CB-CG1 3.95Å; V134-V142 HydrophobicContact CG1-CG1 4.22Å; V134-V142 HydrophobicContact CG2-CG1 4.22Å; L136-V142 HydrophobicContact CD1-CG2 3.62Å; G140-V142 PolarHBondContact O-N 3.38Å
143R96.9Very high94.8Very high57 Ų5740.5 Ų40.522%0.21521%0.207CC..EExtended strand (participates in β ladder)trans-113.3123.6171.2-174.6-176.5-60.8121.813.1110R83 Q84 E85 V134 V135R83-R143 HydrophobicContact CG-CG 3.98Å; Q84-R143 WeakPolarHBondContact O-CA 3.47Å; E85-R143 IonicContact OE2-CZ 3.31Å; E85-R143 IonicContact OE2-NE 2.76Å; E85-R143 PolarHBondContact OE2-NE 3.39Å; E85-R143 IonicContact OE2-NH2 2.94Å; E85-R143 PolarHBondContact OE2-NH2 3.46Å; V134-R143 WeakPolarHBondContact CA-O 3.44Å; V135-R143 PolarHBondContact N-O 3.05Å; V135-R143 PolarHBondContact O-N 3.35Å
144W95.6Very high94.7Very high24 Ų2436.2 Ų36.29%0.09118%0.184CC..EExtended strand (participates in β ladder)trans-116.2116.7173.3-172.429.3000110R83 Q84 W86 T132 V134 A146R83-W144 CarbonylContact C-O 3.51Å; R83-W144 WeakPolarHBondContact CA-O 3.27Å; Q84-W144 PolarHBondContact N-O 3.31Å; Q84-W144 PolarHBondContact O-N 3.45Å; W86-W144 HydrophobicContact CH2-CB 3.86Å; W86-W144 HydrophobicContact CZ3-CB 3.77Å; T132-W144 PolarHBondContact OG1-NE1 2.89Å; V134-W144 HydrophobicContact CG1-CB 3.7Å; V134-W144 HydrophobicContact CG1-CG 3.73Å; W144-A146 HydrophobicContact CZ2-CB 4.15Å
145D92.6Very high94.6Very high39 Ų3941 Ų4121%0.20922%0.215CC..EExtended strand (participates in β ladder)trans-109.7120.4175.4-155.2-28.2000108.6R83 T132R83-D145 IonicContact CZ-OD2 2.99Å; R83-D145 VanDerWaalsContact CZ-OD2 3.31Å; R83-D145 IonicContact NE-OD2 2.99Å; R83-D145 PolarHBondContact NE-OD2 3.39Å; R83-D145 IonicContact NH2-OD2 3.64Å; R83-D145 PolarHBondContact NH2-OD2 2.98Å; T132-D145 PolarHBondContact OG1-O 2.91Å
146A91.9Very high94.3Very high7 Ų739.5 Ų39.56%0.05821%0.206CC..EExtended strand (participates in β ladder)trans-133.2120.9-171.900000110.6I82 A130 W144I82-A146 PolarHBondContact N-O 3.22Å; I82-A146 PolarHBondContact O-N 2.91Å; A130-A146 HydrophobicContact CB-CB 3.73Å; W144-A146 HydrophobicContact CZ2-CB 4.15Å
147P92.4Very high94Very high41 Ų4144 Ų4427%0.26623%0.23SC..EExtended strand (participates in β ladder)trans-71.6136.2168.329.8-32.4000109.8Y79 L80Y79-P147 HydrophobicContact CE2-CB 4.06Å; Y79-P147 VanDerWaalsContact OH-CB 3.28Å; Y79-P147 WeakPolarHBondContact OH-CB 3.45Å; L80-P147 CarbonylContact O-C 3.59Å; L80-P147 WeakPolarHBondContact O-CA 3.48Å
148A90Very high93.6Very high26 Ų2639.8 Ų39.822%0.21521%0.214CC..EExtended strand (participates in β ladder)trans-139.4130.4-179.500000111L80 I82 T150L80-A148 PolarHBondContact N-O 3.27Å; L80-A148 PolarHBondContact O-N 3.05Å; I82-A148 HydrophobicContact CD1-CB 3.75Å; I82-A148 HydrophobicContact CG1-CB 4.31Å; A148-T150 HydrophobicContact CB-CG2 4.21Å
149I91.9Very high93.2Very high114 Ų11438.5 Ų38.559%0.58522%0.215SC*.EExtended strand (participates in β ladder)trans-85.6115.4162.3-62.4169.6000106.7I67 T77 L78 Y79I67-I149 HydrophobicContact CD1-CD1 4.35Å; I67-I149 HydrophobicContact CD1-CG1 4.04Å; I67-I149 HydrophobicContact CD1-CG2 3.92Å; T77-I149 HydrophobicContact CG2-CG2 3.83Å; L78-I149 CarbonylContact O-C 3.55Å; L78-I149 WeakPolarHBondContact O-CA 3.39Å; Y79-I149 HydrophobicContact CD2-CG1 3.66Å; Y79-I149 HydrophobicContact CE2-CG1 4.22Å
150T91.9Very high92.8Very high13 Ų1337.4 Ų37.48%0.0822%0.216CC..EExtended strand (participates in β ladder)trans-108.3133.7-178.957.70000109.9T77 L78 L80 I82 A148T77-T150 CarbonylContact C-O 3.6Å; T77-T150 VanDerWaalsContact CA-O 3.31Å; T77-T150 WeakPolarHBondContact CA-O 3.46Å; L78-T150 PolarHBondContact N-O 3.03Å; L78-T150 PolarHBondContact O-N 3.33Å; L78-T150 PolarHBondContact O-OG1 3.26Å; L80-T150 HydrophobicContact CD1-CG2 3.99Å; L80-T150 WeakPolarHBondContact CD1-OG1 3.44Å; I82-T150 HydrophobicContact CD1-CG2 4.49Å; A148-T150 HydrophobicContact CB-CG2 4.21Å
151R93.4Very high92.4Very high97 Ų9738 Ų3837%0.36622%0.218SC..EExtended strand (participates in β ladder)trans-119.7109.1175.2-70.2175.890.2-168.914.9108V75 L76 T77 K121 A122 D123V75-R151 HydrophobicContact CG1-CB 4.17Å; L76-R151 WeakPolarHBondContact O-CA 3.28Å; T77-R151 HydrophobicContact CG2-CG 3.68Å; T77-R151 PolarHBondContact OG1-NE 3.45Å; K121-R151 WeakPolarHBondContact CA-O 3.49Å; A122-R151 PolarHBondContact N-O 3Å; D123-R151 HydrophobicContact CB-CB 4.4Å; D123-R151 IonicContact OD1-CZ 2.76Å; D123-R151 IonicContact OD1-NE 2.7Å; D123-R151 IonicContact OD1-NH1 3.7Å; D123-R151 PolarHBondContact OD1-NH1 2.87Å; D123-R151 VanDerWaalsContact OD2-CD 3.22Å; D123-R151 WeakPolarHBondContact OD2-CD 3.04Å; D123-R151 IonicContact OD2-CZ 3.18Å; D123-R151 IonicContact OD2-NE 3.44Å; D123-R151 IonicContact OD2-NH1 2.75Å; D123-R151 PolarHBondContact OD2-NH1 3.16Å
152S94.4Very high92.1Very high0 Ų037.6 Ų37.60%022%0.216CC..EExtended strand (participates in β ladder)trans-118.4143.7-170.760.90000110.7V75 L76 N120 C154V75-S152 WeakPolarHBondContact CA-O 3.4Å; L76-S152 PolarHBondContact N-O 2.99Å; L76-S152 PolarHBondContact O-N 3.41Å; L76-S152 PolarHBondContact O-OG 2.86Å; N120-S152 CarbonylContact O-C 3.58Å; N120-S152 VanDerWaalsContact O-CA 3.23Å; N120-S152 WeakPolarHBondContact O-CA 3.49Å; S152-C154 PolarHBondContact O-N 3.28Å
153S94.5Very high91.7Very high57 Ų5740.7 Ų40.740%0.39923%0.23SC..EExtended strand (participates in β ladder)trans-71.3127169.454.80000109.4Q74 N120Q74-S153 WeakPolarHBondContact O-CA 3.39Å; N120-S153 PolarHBondContact ND2-O 3.24Å; N120-S153 VanDerWaalsContact ND2-O 3.15Å; N120-S153 PolarHBondContact O-N 3.26Å; N120-S153 PolarHBondContact O-OG 3.42Å
154C94.4Very high91.4Very high1 Ų138.1 Ų38.11%0.00722%0.22CC..  trans-135.2111.3175.5178.80000109.6Q74 L76 S152 V156 C168Q74-C154 CarbonylContact C-O 3.51Å; Q74-C154 WeakPolarHBondContact CB-O 3.48Å; Q74-C154 PolarHBondContact O-N 3.42Å; L76-C154 HydrophobicContact CB-CB 4.18Å; S152-C154 PolarHBondContact O-N 3.28Å; C154-V156 PolarHBondContact O-N 3.36Å; C154-C168 HydrophobicContact CB-CB 3.69Å; C154-C168 WeakPolarHBondContact CB-SG 3.38Å; C154-C168 WeakPolarHBondContact SG-CA 3.43Å; C154-C168 WeakPolarHBondContact SG-CB 3.06Å; C154-C168 CovalentContact SG-SG 2.03Å; C154-C168 PolarHBondContact SG-SG 3.45Å
155P91.8Very high91.3Very high99 Ų9940 Ų4064%0.64324%0.241SC*.  trans-67.1124173.728.1-32.2000109.6
156V91.1Very high91.5Very high11 Ų1138.4 Ų38.47%0.06723%0.232CC..  trans-100.1130.4-177.9-178.10000109.4M69 E71 C154 V158 Q166M69-V156 HydrophobicContact SD-CG2 4.37Å; E71-V156 HydrophobicContact CB-CG1 4.44Å; E71-V156 HydrophobicContact CG-CG1 4.07Å; E71-V156 HydrophobicContact CG-CG2 4.42Å; C154-V156 PolarHBondContact O-N 3.36Å; V156-V158 HydrophobicContact CG1-CG1 3.97Å; V156-Q166 VanDerWaalsContact CG1-CD 3.43Å; V156-Q166 HydrophobicContact CG1-CG 4.15Å
157D89.8Confident91.7Very high94 Ų9447.5 Ų47.550%0.50327%0.265SS..  trans-94.5109.9172.1-178.32.3000110.6A159 Q166D157-A159 VanDerWaalsContact OD1-CB 3.24Å; D157-A159 WeakPolarHBondContact OD1-CB 3.47Å; D157-A159 PolarHBondContact OD1-N 3.14Å; D157-Q166 PolarHBondContact O-NE2 2.97Å
158V89.3Confident91.9Very high2 Ų245.5 Ų45.51%0.01225%0.252CS..  trans-97.97.7-177.1-64.70000113.7V156 A160 F161 P290 A292 P296V156-V158 HydrophobicContact CG1-CG1 3.97Å; V158-A160 VanDerWaalsContact C-N 3.26Å; V158-A160 PolarHBondContact O-N 2.89Å; V158-F161 WeakPolarHBondContact O-CB 3.34Å; V158-F161 PolarHBondContact O-N 3.42Å; V158-P290 HydrophobicContact CG1-CG 4.27Å; V158-A292 HydrophobicContact CG2-CB 3.54Å; V158-P296 HydrophobicContact CB-CG 4.25Å; V158-P296 HydrophobicContact CG2-CG 3.9Å; V158-P296 WeakPolarHBondContact O-CA 3.47Å; V158-P296 WeakPolarHBondContact O-CB 3.25Å
159A88Confident92.2Very high37 Ų3745.4 Ų45.431%0.30625%0.253SS..THydrogen-bonded Turntrans-57.3-39.2-176.200000113D157 L297D157-A159 VanDerWaalsContact OD1-CB 3.24Å; D157-A159 WeakPolarHBondContact OD1-CB 3.47Å; D157-A159 PolarHBondContact OD1-N 3.14Å; A159-L297 WeakPolarHBondContact O-CB 3.45Å; A159-L297 PolarHBondContact O-N 3.04Å
160A88.3Confident92.4Very high48 Ų4840 Ų4040%0.39723%0.225SC..THydrogen-bonded Turntrans-101.113.1-177.800000114.3V158 F163V158-A160 VanDerWaalsContact C-N 3.26Å; V158-A160 PolarHBondContact O-N 2.89Å; A160-F163 CarbonylContact O-C 3.58Å; A160-F163 WeakPolarHBondContact O-CA 3.44Å; A160-F163 PolarHBondContact O-N 2.92Å
161F88.3Confident92.6Very high12 Ų1240.5 Ų40.55%0.05323%0.229CC..THydrogen-bonded Turntrans-54.9137.7-179.1-179.3-82.4000112V158 Y239 L285 M289 I298V158-F161 WeakPolarHBondContact O-CB 3.34Å; V158-F161 PolarHBondContact O-N 3.42Å; F161-Y239 HydrophobicContact CE1-CD1 4.27Å; F161-Y239 HydrophobicContact CE2-CD1 4.4Å; F161-Y239 HydrophobicContact CE2-CE1 4.28Å; F161-Y239 AromaticContact CZ-CD1 3.56Å; F161-Y239 HydrophobicContact CZ-CD1 3.56Å; F161-Y239 AromaticContact CZ-CE1 3.78Å; F161-Y239 HydrophobicContact CZ-CE1 3.78Å; F161-Y239 HydrophobicContact CZ-CG 4.22Å; F161-L285 HydrophobicContact CE1-CD1 4.17Å; F161-M289 HydrophobicContact CB-CE 4.13Å; F161-M289 HydrophobicContact CD1-CE 3.16Å; F161-M289 HydrophobicContact CD2-CE 3.68Å; F161-M289 HydrophobicContact CE1-CE 3.25Å; F161-M289 HydrophobicContact CE2-CE 3.75Å; F161-M289 HydrophobicContact CG-CE 3.37Å; F161-M289 HydrophobicContact CZ-CE 3.53Å; F161-I298 HydrophobicContact CD1-CG2 3.75Å; F161-I298 HydrophobicContact CE1-CG2 4.42Å
162P89.9Confident92.7Very high11 Ų1136.2 Ų36.27%0.07121%0.213CC..THydrogen-bonded Turncis-91.413.92.636.3-37.5000115.4D164 R234 A236 Y239P162-D164 VanDerWaalsContact C-N 3.29Å; P162-D164 VanDerWaalsContact C-OD1 3.32Å; P162-R234 WeakPolarHBondContact O-CD 3.3Å; P162-A236 HydrophobicContact CB-CB 4.12Å; P162-A236 HydrophobicContact CG-CB 4.07Å; P162-A236 WeakPolarHBondContact O-CB 3.24Å; P162-Y239 HydrophobicContact CB-CD2 4.26Å; P162-Y239 HydrophobicContact CB-CG 4.01Å
163F89.8Confident92.7Very high64 Ų6436.2 Ų36.228%0.28121%0.213SC..SBendtrans-97.226.2-178.9-52.4-76.5000112.3A160 A236 V240 A449A160-F163 CarbonylContact O-C 3.58Å; A160-F163 WeakPolarHBondContact O-CA 3.44Å; A160-F163 PolarHBondContact O-N 2.92Å; F163-A236 HydrophobicContact CD1-CB 3.58Å; F163-A236 HydrophobicContact CE1-CB 3.33Å; F163-A236 HydrophobicContact CG-CB 4.46Å; F163-A236 HydrophobicContact CZ-CB 4.02Å; F163-V240 HydrophobicContact CE1-CG2 4.26Å; F163-V240 HydrophobicContact CZ-CG2 3.69Å; F163-A449 HydrophobicContact CE1-CB 4.1Å; F163-A449 WeakPolarHBondContact CE1-O 3.47Å; F163-A449 VanDerWaalsContact CE2-CA 3.4Å; F163-A449 HydrophobicContact CE2-CB 3.48Å; F163-A449 VanDerWaalsContact CE2-CB 3.48Å; F163-A449 HydrophobicContact CZ-CB 3.2Å; F163-A449 WeakPolarHBondContact CZ-O 3.44Å
164D91Very high92.7Very high3 Ų333.6 Ų33.62%0.01620%0.195CC..  trans-77.4157.6-173.356.3-53.7000113P162 Q166 H233 R234P162-D164 VanDerWaalsContact C-N 3.29Å; P162-D164 VanDerWaalsContact C-OD1 3.32Å; D164-Q166 PolarHBondContact OD2-NE2 2.8Å; D164-H233 PolarHBondContact O-ND1 3.36Å; D164-R234 PolarHBondContact O-N 3Å; D164-R234 WeakPolarHBondContact OD1-CD 3.32Å; D164-R234 IonicContact OD1-CZ 3.02Å; D164-R234 IonicContact OD1-NE 3.89Å; D164-R234 PolarHBondContact OD1-NE 3.49Å; D164-R234 IonicContact OD1-NH2 3.26Å; D164-R234 IonicContact OD2-CZ 3.59Å; D164-R234 IonicContact OD2-NE 2.83Å; D164-R234 PolarHBondContact OD2-NE 3.11Å; D164-R234 IonicContact OD2-NH2 3.84Å; D164-R234 PolarHBondContact OD2-NH2 3.28Å; D164-R234 VanDerWaalsContact OD2-NH2 3.12Å
165A93.3Very high92.6Very high63 Ų6341.9 Ų41.952%0.52123%0.226SC..EExtended strand (participates in β ladder)trans-127.3133.9172.100000108.9L232A165-L232 CarbonylContact C-O 3.52Å; A165-L232 VanDerWaalsContact CA-O 3.25Å; A165-L232 WeakPolarHBondContact CA-O 3.19Å
166Q95.1Very high92.5Very high6 Ų641.3 Ų41.33%0.02822%0.221CC..EExtended strand (participates in β ladder)trans-115.8149.8-174.4-54.2-56.3-25.500111.4V156 D157 D164 W202 L232V156-Q166 VanDerWaalsContact CG1-CD 3.43Å; V156-Q166 HydrophobicContact CG1-CG 4.15Å; D157-Q166 PolarHBondContact O-NE2 2.97Å; D164-Q166 PolarHBondContact OD2-NE2 2.8Å; Q166-W202 HydrophobicContact CB-CH2 4.48Å; Q166-W202 HydrophobicContact CB-CZ3 4.35Å; Q166-W202 HydrophobicContact CG-CH2 3.5Å; Q166-W202 HydrophobicContact CG-CZ3 3.68Å; Q166-L232 HydrophobicContact CB-CB 4.25Å; Q166-L232 PolarHBondContact N-O 3.48Å; Q166-L232 PolarHBondContact O-N 3.39Å
167R96.2Very high92.5Very high198 Ų19842.2 Ų42.275%0.74722%0.224SC*.EExtended strand (participates in β ladder)trans-130.398.3179.5-64.4-175.9173172.9-1.6109.4T229 L231R167-T229 HydrophobicContact CB-CG2 4.41Å; R167-L231 HydrophobicContact CG-CD2 3.87Å
168C96.8Very high92.5Very high0 Ų037.8 Ų37.80%020%0.201CC..EExtended strand (participates in β ladder)trans-105.3114.3-177.4-620000111L76 C154 T229 L230L76-C168 HydrophobicContact CD2-CB 3.48Å; L76-C168 VanDerWaalsContact CD2-CB 3.48Å; C154-C168 HydrophobicContact CB-CB 3.69Å; C154-C168 WeakPolarHBondContact CB-SG 3.38Å; C154-C168 WeakPolarHBondContact SG-CA 3.43Å; C154-C168 WeakPolarHBondContact SG-CB 3.06Å; C154-C168 CovalentContact SG-SG 2.03Å; C154-C168 PolarHBondContact SG-SG 3.45Å; C168-T229 CarbonylContact O-C 3.55Å; C168-T229 WeakPolarHBondContact O-CA 3.5Å; C168-L230 PolarHBondContact N-O 3.27Å; C168-L230 PolarHBondContact O-N 3.48Å
169G96.3Very high92.6Very high23 Ų2338.5 Ų38.524%0.23721%0.208CC..EExtended strand (participates in β ladder)trans-84.8135.5175.400000111.8N120 F228N120-G169 PolarHBondContact ND2-O 3.4Å; G169-F228 CarbonylContact C-O 3.58Å
170L96.4Very high92.7Very high0 Ų042.4 Ų42.40%022%0.22CC..EExtended strand (participates in β ladder)trans-115.3111.4166.9-63104.7000108.7L78 L80 L118 F172 M207 T227 F228L78-L170 HydrophobicContact CD1-CD1 3.77Å; L78-L170 HydrophobicContact CD1-CD2 3.94Å; L78-L170 HydrophobicContact CD1-CG 4.5Å; L80-L170 HydrophobicContact CD1-CD2 4.12Å; L118-L170 HydrophobicContact CD1-CB 3.97Å; L118-L170 HydrophobicContact CD1-CD2 4.36Å; L170-F172 HydrophobicContact CB-CE2 3.8Å; L170-F172 HydrophobicContact CB-CZ 4.43Å; L170-M207 HydrophobicContact CD1-CE 3.71Å; L170-T227 CarbonylContact O-C 3.58Å; L170-T227 WeakPolarHBondContact O-CA 3.48Å; L170-F228 PolarHBondContact N-O 3.08Å; L170-F228 PolarHBondContact O-N 2.96Å
171T96.1Very high92.9Very high25 Ų2543.4 Ų43.415%0.15322%0.217CC..EExtended strand (participates in β ladder)trans-102.6115.1-174.9-59.90000111L118 Y119 N120 D225 T227L118-T171 WeakPolarHBondContact CA-O 3.37Å; Y119-T171 HydrophobicContact CD2-CG2 3.7Å; Y119-T171 HydrophobicContact CE2-CG2 4.34Å; Y119-T171 HydrophobicContact CG-CG2 4.46Å; Y119-T171 PolarHBondContact N-O 3.47Å; N120-T171 PolarHBondContact OD1-N 2.86Å; N120-T171 VanDerWaalsContact OD1-N 3.13Å; T171-D225 HydrophobicContact CG2-CB 3.92Å; T171-D225 WeakPolarHBondContact CG2-OD2 3.32Å; T171-T227 PolarHBondContact OG1-OG1 3.19Å; T171-T227 VanDerWaalsContact OG1-OG1 3.08Å
172F95.9Very high93.2Very high6 Ų642.9 Ų42.93%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-107.8135.4178-64.1-87.4000111.1L59 V61 L80 I82 I116 V117 L118 L170 D225 V226 F228L59-F172 HydrophobicContact CD2-CB 3.59Å; L59-F172 HydrophobicContact CD2-CD2 4.33Å; L59-F172 HydrophobicContact CD2-CG 4.03Å; V61-F172 HydrophobicContact CG2-CE2 4.33Å; L80-F172 HydrophobicContact CD1-CZ 4.28Å; I82-F172 HydrophobicContact CD1-CE1 3.88Å; I82-F172 HydrophobicContact CD1-CZ 4.23Å; I116-F172 HydrophobicContact CG2-CB 4.02Å; I116-F172 HydrophobicContact CG2-CD1 4.33Å; V117-F172 WeakPolarHBondContact O-CA 3.32Å; L118-F172 HydrophobicContact CB-CD1 4.41Å; L118-F172 HydrophobicContact CB-CE1 4.17Å; L118-F172 HydrophobicContact CD1-CE1 4.22Å; L118-F172 HydrophobicContact CD1-CE2 4.35Å; L118-F172 HydrophobicContact CD1-CZ 4.12Å; L170-F172 HydrophobicContact CB-CE2 3.8Å; L170-F172 HydrophobicContact CB-CZ 4.43Å; F172-D225 CarbonylContact O-C 3.55Å; F172-D225 WeakPolarHBondContact O-CA 3.41Å; F172-V226 PolarHBondContact N-O 3.4Å; F172-V226 PolarHBondContact O-N 2.87Å; F172-F228 AromaticContact CD2-CD2 3.87Å; F172-F228 HydrophobicContact CD2-CD2 3.87Å; F172-F228 HydrophobicContact CD2-CE2 4.19Å; F172-F228 HydrophobicContact CE2-CD2 4.1Å
173G94.9Very high93.4Very high0 Ų043 Ų430%021%0.214CC..EExtended strand (participates in β ladder)trans-162.6169.517600000111.4I116 V117I116-G173 WeakPolarHBondContact CA-O 3.39Å; V117-G173 PolarHBondContact N-O 3.42Å; V117-G173 PolarHBondContact O-N 3.28Å; V117-G173 VanDerWaalsContact O-N 3.12Å
174S94.3Very high93.7Very high3 Ų339.9 Ų39.92%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-69145.3171.1175.80000110.2D115 Y119 H177D115-S174 VanDerWaalsContact CG-OG 3.31Å; D115-S174 WeakPolarHBondContact O-CA 3.29Å; D115-S174 PolarHBondContact OD1-OG 2.86Å; D115-S174 PolarHBondContact OD2-OG 2.84Å; Y119-S174 PolarHBondContact OH-O 3.24Å; S174-H177 WeakPolarHBondContact OG-CB 3.47Å; S174-H177 PolarHBondContact OG-N 2.88Å; S174-H177 PolarHBondContact OG-ND1 2.86Å
175W91.2Very high94Very high175 Ų17545.8 Ų45.866%0.66322%0.223SC*.SBendtrans-87.1-41.2177-170-107.4000112.8D115 V117 Y119D115-W175 PolarHBondContact O-N 3.34Å; D115-W175 PolarHBondContact OD2-N 3.07Å; V117-W175 HydrophobicContact CG1-CB 4.33Å; V117-W175 HydrophobicContact CG2-CB 3.9Å; V117-W175 HydrophobicContact CG2-CD2 4.32Å; V117-W175 HydrophobicContact CG2-CE3 3.72Å; V117-W175 HydrophobicContact CG2-CG 4.44Å; Y119-W175 HydrophobicContact CD1-CE3 4.18Å; Y119-W175 HydrophobicContact CD1-CZ3 4.19Å; Y119-W175 HydrophobicContact CE1-CE3 4.01Å; Y119-W175 HydrophobicContact CE1-CZ3 4.39Å
176T90.8Very high94.2Very high87 Ų8744.4 Ų44.453%0.53421%0.209SC..SBendtrans-107.8-25-170.959.20000113.8D115D115-T176 WeakPolarHBondContact OD2-CB 3.28Å; D115-T176 PolarHBondContact OD2-N 3.49Å; D115-T176 PolarHBondContact OD2-OG1 2.95Å
177H91.3Very high94.1Very high30 Ų3049.7 Ų49.714%0.13923%0.228CC..  trans-96.3125.6-176.2-56.987.8000111.1D115 S174 Q181 L182D115-H177 IonicContact OD1-CE1 2.93Å; D115-H177 IonicContact OD1-ND1 2.73Å; D115-H177 PolarHBondContact OD1-ND1 2.92Å; D115-H177 IonicContact OD2-ND1 2.75Å; S174-H177 WeakPolarHBondContact OG-CB 3.47Å; S174-H177 PolarHBondContact OG-N 2.88Å; S174-H177 PolarHBondContact OG-ND1 2.86Å; H177-Q181 HydrophobicContact CB-CB 4.17Å; H177-Q181 PolarHBondContact CD2-OE1 3.47Å; H177-L182 HydrophobicContact CB-CB 3.62Å; H177-L182 HydrophobicContact CB-CD1 4.2Å
178G90.4Very high94Very high1 Ų142.2 Ų42.21%0.0121%0.212CC..  trans-73.3169.9169.400000112.4H180 Q181 L182G178-H180 PolarHBondContact O-N 3.47Å; G178-H180 VanDerWaalsContact O-N 3.13Å; G178-Q181 PolarHBondContact O-N 3.34Å; G178-L182 PolarHBondContact O-N 2.88Å
179G89.7Confident93.9Very high17 Ų1746.3 Ų46.318%0.17525%0.247CC..THydrogen-bonded Turntrans-65.1-16-175.100000115.5T54 P222 P224T54-G179 WeakPolarHBondContact CG2-O 3.24Å; G179-P222 VanDerWaalsContact CA-O 3.22Å; G179-P222 WeakPolarHBondContact CA-O 3.23Å; G179-P222 PolarHBondContact N-O 3.43Å; G179-P224 VanDerWaalsContact CA-CD 3.45Å
180H90.3Very high93.9Very high119 Ų11948 Ų4855%0.55126%0.258SS*.THydrogen-bonded Turntrans-77.1-26171.1-63.7-61.4000112.4T54 G178T54-H180 WeakPolarHBondContact CA-O 3.28Å; T54-H180 WeakPolarHBondContact CB-O 3.23Å; T54-H180 PolarHBondContact OG1-O 3.46Å; G178-H180 PolarHBondContact O-N 3.47Å; G178-H180 VanDerWaalsContact O-N 3.13Å
181Q92.7Very high93.8Very high69 Ų6948.4 Ų48.432%0.32226%0.261SS..THydrogen-bonded Turntrans-98-37.7-176.8-64.1-178.7-16.100112.3R46 L55 H177 G178R46-Q181 WeakPolarHBondContact CD-O 3.35Å; L55-Q181 PolarHBondContact N-O 3.2Å; H177-Q181 HydrophobicContact CB-CB 4.17Å; H177-Q181 PolarHBondContact CD2-OE1 3.47Å; G178-Q181 PolarHBondContact O-N 3.34Å
182L94.7Very high93.7Very high1 Ų149.1 Ų49.11%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-141.8124.6-176.1-167.6159000110.3L55 V57 W112 P114 I116 H177 G178 V184 P224L55-L182 WeakPolarHBondContact O-CA 3.37Å; V57-L182 HydrophobicContact CB-CD2 4.31Å; V57-L182 HydrophobicContact CG2-CD1 4.17Å; V57-L182 HydrophobicContact CG2-CD2 3.91Å; V57-L182 HydrophobicContact CG2-CG 3.95Å; W112-L182 HydrophobicContact CH2-CD1 4.03Å; P114-L182 HydrophobicContact CB-CD1 4Å; I116-L182 HydrophobicContact CD1-CD2 4.34Å; H177-L182 HydrophobicContact CB-CB 3.62Å; H177-L182 HydrophobicContact CB-CD1 4.2Å; G178-L182 PolarHBondContact O-N 2.88Å; L182-V184 HydrophobicContact CD2-CG2 3.34Å; L182-P224 WeakPolarHBondContact O-CG 3.39Å
183D95Very high93.6Very high12 Ų1251.9 Ų51.96%0.06428%0.282CS..EExtended strand (participates in β ladder)trans-112.4111176.4-173.218.5000110.8T54 L55 V57 R185 R211T54-D183 HydrophobicContact CG2-CB 3.75Å; L55-D183 PolarHBondContact O-N 3.21Å; V57-D183 PolarHBondContact N-O 2.63Å; D183-R185 IonicContact OD2-CZ 3.35Å; D183-R185 IonicContact OD2-NE 3.82Å; D183-R185 PolarHBondContact OD2-NE 3.43Å; D183-R185 IonicContact OD2-NH2 3.94Å; D183-R185 PolarHBondContact OD2-NH2 3.46Å; D183-R211 IonicContact OD1-CZ 2.84Å; D183-R211 IonicContact OD1-NE 3.25Å; D183-R211 PolarHBondContact OD1-NE 3.32Å; D183-R211 IonicContact OD1-NH2 3.89Å; D183-R211 PolarHBondContact OD1-NH2 3.25Å; D183-R211 IonicContact OD2-NH2 2.86Å
184V96Very high93.3Very high0 Ų055.8 Ų55.80%031%0.314CS..EExtended strand (participates in β ladder)trans-86.5128.5177-1700000109.6V57 L59 I116 L182 R211 V226V57-V184 WeakPolarHBondContact O-CA 3.03Å; L59-V184 HydrophobicContact CB-CG1 4.19Å; L59-V184 HydrophobicContact CD2-CG1 4.37Å; I116-V184 HydrophobicContact CD1-CG2 3.62Å; L182-V184 HydrophobicContact CD2-CG2 3.34Å; V184-R211 PolarHBondContact O-NE 2.9Å; V184-V226 HydrophobicContact CB-CG2 4.4Å; V184-V226 HydrophobicContact CG1-CG2 3.82Å
185R96.4Very high93.1Very high126 Ų12660.9 Ų60.948%0.47534%0.341SS..EExtended strand (participates in β ladder)trans-132.1138.9178.9-62.3-173.6179.6-175.43.1111.4V57 T58 L59 D183V57-R185 PolarHBondContact O-N 2.75Å; T58-R185 CarbonylContact C-O 3.58Å; T58-R185 WeakPolarHBondContact CA-O 3.42Å; L59-R185 PolarHBondContact N-O 2.88Å; D183-R185 IonicContact OD2-CZ 3.35Å; D183-R185 IonicContact OD2-NE 3.82Å; D183-R185 PolarHBondContact OD2-NE 3.43Å; D183-R185 IonicContact OD2-NH2 3.94Å; D183-R185 PolarHBondContact OD2-NH2 3.46Å
186P96.8Very high93.3Very high35 Ų3554.6 Ų54.623%0.22732%0.319CS..EExtended strand (participates in β ladder)trans-71.4143.5171.831-32.9000110.3L59 G188 A209 V226L59-P186 CarbonylContact O-C 3.56Å; L59-P186 WeakPolarHBondContact O-CA 3.25Å; P186-G188 VanDerWaalsContact C-N 3.26Å; P186-G188 WeakPolarHBondContact CB-O 3.11Å; P186-G188 PolarHBondContact O-N 3.01Å; P186-A209 HydrophobicContact CB-CB 4.05Å; P186-V226 HydrophobicContact CB-CG1 3.9Å; P186-V226 HydrophobicContact CG-CG1 4.28Å
187R94.9Very high93.5Very high117 Ų11754.6 Ų54.644%0.44232%0.318SS..SBendtrans-61.9-33.8174.1179.372.194.8-171.15.4112.5T58 L59 E60 E85T58-R187 HydrophobicContact CG2-CB 3.81Å; T58-R187 HydrophobicContact CG2-CG 4.45Å; L59-R187 PolarHBondContact O-N 3.02Å; E60-R187 HydrophobicContact CB-CB 3.91Å; E60-R187 HydrophobicContact CG-CB 4.34Å; E85-R187 IonicContact OE1-CZ 3.35Å; E85-R187 VanDerWaalsContact OE1-CZ 3.26Å; E85-R187 IonicContact OE1-NH1 3.37Å; E85-R187 PolarHBondContact OE1-NH1 3.33Å; E85-R187 IonicContact OE1-NH2 3.68Å; E85-R187 PolarHBondContact OE1-NH2 2.94Å; E85-R187 IonicContact OE2-NH2 3.76Å; E85-R187 PolarHBondContact OE2-NH2 3.48Å
188G93.4Very high93.6Very high40 Ų4060.1 Ų60.141%0.41234%0.344SS..SBendtrans-148.9-176.1-177.800000112.4P186 A190P186-G188 VanDerWaalsContact C-N 3.26Å; P186-G188 WeakPolarHBondContact CB-O 3.11Å; P186-G188 PolarHBondContact O-N 3.01Å; G188-A190 VanDerWaalsContact C-N 3.29Å; G188-A190 PolarHBondContact O-N 3.05Å
189A94.4Very high93.8Very high87 Ų8761.7 Ų61.772%0.71935%0.352SS*.SBendtrans-76.7-11.5-177.500000114.3A209A189-A209 PolarHBondContact O-N 3.42Å
190A95.3Very high93.9Very high57 Ų5767.3 Ų67.347%0.47138%0.383SS..BIsolated β-bridgetrans-148158.6179.800000110.7G188 M207G188-A190 VanDerWaalsContact C-N 3.29Å; G188-A190 PolarHBondContact O-N 3.05Å; A190-M207 CarbonylContact C-O 3.51Å; A190-M207 WeakPolarHBondContact CA-O 3.48Å
191A94.3Very high94Very high9 Ų964.4 Ų64.47%0.07437%0.37CS..  trans-66.2150166.500000110.6V61 M207 F228V61-A191 HydrophobicContact CB-CB 4.35Å; V61-A191 HydrophobicContact CG1-CB 4.46Å; V61-A191 CarbonylContact O-C 3.58Å; V61-A191 VanDerWaalsContact O-CA 3.27Å; V61-A191 WeakPolarHBondContact O-CA 3.32Å; V61-A191 WeakPolarHBondContact O-CB 3.26Å; A191-M207 HydrophobicContact CB-CB 3.95Å; A191-M207 HydrophobicContact CB-CE 4.4Å; A191-M207 HydrophobicContact CB-CG 3.69Å; A191-M207 HydrophobicContact CB-SD 3.65Å; A191-M207 PolarHBondContact N-O 3.47Å; A191-F228 HydrophobicContact CB-CD1 3.74Å; A191-F228 HydrophobicContact CB-CE1 4.06Å
192S94Very high94.1Very high40 Ų4061.3 Ų61.328%0.2836%0.355SS..BIsolated β-bridgetrans-73.5135.3174.6-178.60000110.3V61 T62 L63 A194V61-S192 PolarHBondContact O-N 3.35Å; T62-S192 WeakPolarHBondContact CA-O 3.37Å; L63-S192 PolarHBondContact N-O 2.82Å; S192-A194 PolarHBondContact OG-N 3.05Å
193L94.1Very high94.1Very high64 Ų6468 Ų6834%0.33538%0.381SS..  trans-113.115.2173.4-58.1178.9000111.4L63 D195 F196 V204L63-L193 HydrophobicContact CB-CD2 3.82Å; L63-L193 HydrophobicContact CD2-CD2 3.89Å; L63-L193 HydrophobicContact CG-CD2 4.43Å; L193-D195 VanDerWaalsContact C-N 3.31Å; L193-D195 PolarHBondContact O-N 3.33Å; L193-F196 HydrophobicContact CB-CB 4.32Å; L193-F196 WeakPolarHBondContact O-CB 3.35Å; L193-F196 PolarHBondContact O-N 3.5Å; L193-V204 HydrophobicContact CD1-CG1 4.14Å; L193-V204 HydrophobicContact CD2-CG1 4.39Å
194A90.2Very high94.2Very high82 Ų8268.7 Ų68.768%0.67839%0.385SS*.THydrogen-bonded Turntrans-61.7-37.8-17300000113S192S192-A194 PolarHBondContact OG-N 3.05Å
195D89.7Confident94.2Very high110 Ų11073.7 Ų73.759%0.58841%0.411SS*.THydrogen-bonded Turntrans-10522.5-178.7-55.6-48.7000112.2L193 V197L193-D195 VanDerWaalsContact C-N 3.31Å; L193-D195 PolarHBondContact O-N 3.33Å; D195-V197 PolarHBondContact O-N 3.22Å
196F95.4Very high94.1Very high44 Ų4468.4 Ų68.419%0.19340%0.395CS..PPolyproline II helixtrans-75.3124-177.5175.7-116000111.5L63 S64 I66 L193 E198 V204L63-F196 HydrophobicContact CD2-CD2 3.76Å; L63-F196 HydrophobicContact CD2-CE2 3.83Å; L63-F196 HydrophobicContact CG-CD2 3.77Å; L63-F196 HydrophobicContact CG-CE2 4.15Å; S64-F196 WeakPolarHBondContact O-CA 3.42Å; I66-F196 HydrophobicContact CD1-CE2 4.46Å; I66-F196 HydrophobicContact CD1-CZ 4.42Å; I66-F196 HydrophobicContact CG1-CE2 4.3Å; L193-F196 HydrophobicContact CB-CB 4.32Å; L193-F196 WeakPolarHBondContact O-CB 3.35Å; L193-F196 PolarHBondContact O-N 3.5Å; F196-E198 HydrophobicContact CE1-CG 4.44Å; F196-V204 HydrophobicContact CE1-CB 4.04Å; F196-V204 HydrophobicContact CE1-CG2 3.7Å; F196-V204 HydrophobicContact CE2-CG2 3.98Å; F196-V204 HydrophobicContact CZ-CB 4.18Å; F196-V204 HydrophobicContact CZ-CG2 3.33Å
197V95.2Very high94.2Very high86 Ų8666.9 Ų66.952%0.52139%0.385SS..PPolyproline II helixtrans-85.5120169.4-177.50000108.9S64 Q65 D195 N199S64-V197 PolarHBondContact O-N 3.47Å; Q65-V197 HydrophobicContact CB-CB 4.48Å; D195-V197 PolarHBondContact O-N 3.22Å; V197-N199 PolarHBondContact O-N 2.95Å
198E93.6Very high94.3Very high146 Ų14664 Ų6468%0.68238%0.382SS*.PPolyproline II helixtrans-56.6134.1178.9-73-165.3-169.400112.2F196 R235F196-E198 HydrophobicContact CE1-CG 4.44Å; E198-R235 IonicContact OE2-NH2 2.83Å; E198-R235 PolarHBondContact OE2-NH2 2.84Å
199N93.9Very high94.5Very high34 Ų3462.9 Ų62.918%0.18237%0.369CS..PPolyproline II helixtrans-90.8143.2177-173.8-77000110.8I66 V197 E201 W202 R235I66-N199 HydrophobicContact CB-CB 4.43Å; I66-N199 HydrophobicContact CD1-CB 4.36Å; I66-N199 PolarHBondContact O-ND2 3.37Å; V197-N199 PolarHBondContact O-N 2.95Å; N199-E201 VanDerWaalsContact C-N 3.33Å; N199-E201 WeakPolarHBondContact OD1-CA 3.21Å; N199-E201 WeakPolarHBondContact OD1-CB 3.46Å; N199-E201 PolarHBondContact OD1-N 3.48Å; N199-W202 HydrophobicContact CB-CB 4.48Å; N199-W202 PolarHBondContact OD1-N 2.85Å; N199-R235 PolarHBondContact O-NE 2.89Å
200V91.8Very high94.6Very high136 Ų13663.5 Ų63.582%0.82436%0.357SS*.SBendtrans-72.2-28.3-176.6-179.70000112.2R235V200-R235 WeakPolarHBondContact O-CD 3.38Å
201E91.5Very high94.6Very high58 Ų5865.4 Ų65.427%0.27135%0.352SS..SBendtrans-101.4-37.3-176.2-169-174.3151.300112N199 R234 R235 Y239N199-E201 VanDerWaalsContact C-N 3.33Å; N199-E201 WeakPolarHBondContact OD1-CA 3.21Å; N199-E201 WeakPolarHBondContact OD1-CB 3.46Å; N199-E201 PolarHBondContact OD1-N 3.48Å; E201-R234 IonicContact OE1-CZ 3.7Å; E201-R234 IonicContact OE1-NH1 3.68Å; E201-R234 PolarHBondContact OE1-NH1 3.5Å; E201-R235 WeakPolarHBondContact O-CB 3.45Å; E201-R235 PolarHBondContact O-N 2.81Å; E201-Y239 HydrophobicContact CG-CE2 4.28Å; E201-Y239 PolarHBondContact OE1-OH 3.15Å
202W94.8Very high94.6Very high3 Ų370.6 Ų70.61%0.01137%0.369CS..EExtended strand (participates in β ladder)trans-114.8129.1-173.6-65.396.5000112.5I66 M69 Q166 N199 L232 R234I66-W202 HydrophobicContact CD1-CB 4.13Å; M69-W202 HydrophobicContact CB-CZ2 4.45Å; M69-W202 HydrophobicContact CG-CZ2 4.05Å; Q166-W202 HydrophobicContact CB-CH2 4.48Å; Q166-W202 HydrophobicContact CB-CZ3 4.35Å; Q166-W202 HydrophobicContact CG-CH2 3.5Å; Q166-W202 HydrophobicContact CG-CZ3 3.68Å; N199-W202 HydrophobicContact CB-CB 4.48Å; N199-W202 PolarHBondContact OD1-N 2.85Å; W202-L232 HydrophobicContact CB-CD2 4.31Å; W202-L232 HydrophobicContact CD2-CB 4.38Å; W202-L232 HydrophobicContact CD2-CD1 4.4Å; W202-L232 HydrophobicContact CE3-CB 3.63Å; W202-L232 HydrophobicContact CE3-CD1 4.37Å; W202-L232 HydrophobicContact CZ3-CB 4.06Å; W202-R234 HydrophobicContact CE3-CB 4.14Å; W202-R234 HydrophobicContact CH2-CB 4.25Å; W202-R234 VanDerWaalsContact CH2-NH2 3.28Å; W202-R234 VanDerWaalsContact CZ2-CZ 3.43Å; W202-R234 VanDerWaalsContact CZ2-NH2 3.31Å; W202-R234 HydrophobicContact CZ3-CB 3.82Å
203R95.4Very high94.6Very high143 Ų14372.2 Ų72.254%0.5438%0.377SS..EExtended strand (participates in β ladder)trans-91.3122.9167.1-175.5179.2175.6-172.4-1.3109.3H233R203-H233 WeakPolarHBondContact CB-O 3.4Å; R203-H233 PolarHBondContact N-O 3.23Å; R203-H233 PolarHBondContact O-N 3.42Å
204V96.6Very high94.4Very high26 Ų2672.4 Ų72.416%0.15838%0.379CS..EExtended strand (participates in β ladder)trans-83.8122.5175.1179.50000109.4L63 I66 L193 F196 L230 L232L63-V204 HydrophobicContact CD2-CG1 4.49Å; L63-V204 HydrophobicContact CD2-CG2 4.33Å; I66-V204 HydrophobicContact CD1-CG2 3.72Å; L193-V204 HydrophobicContact CD1-CG1 4.14Å; L193-V204 HydrophobicContact CD2-CG1 4.39Å; F196-V204 HydrophobicContact CE1-CB 4.04Å; F196-V204 HydrophobicContact CE1-CG2 3.7Å; F196-V204 HydrophobicContact CE2-CG2 3.98Å; F196-V204 HydrophobicContact CZ-CB 4.18Å; F196-V204 HydrophobicContact CZ-CG2 3.33Å; V204-L230 HydrophobicContact CG1-CD1 3.9Å; V204-L230 HydrophobicContact CG2-CD1 4.45Å; V204-L232 HydrophobicContact CG2-CD2 3.87Å
205L95.8Very high94.4Very high105 Ų10573.1 Ų73.155%0.5537%0.374SS..EExtended strand (participates in β ladder)trans-90.6-27.1176.2-58.7178.8000112L231 H233L205-L231 HydrophobicContact CB-CB 4.02Å; L205-L231 PolarHBondContact N-O 3.36Å; L205-H233 HydrophobicContact CD1-CB 4.3Å; L205-H233 HydrophobicContact CG-CB 4.44Å
206G96.1Very high94.3Very high14 Ų1471.9 Ų71.914%0.14436%0.362CS..EExtended strand (participates in β ladder)trans162.1170.4179.600000112.2L231G206-L231 WeakPolarHBondContact O-CB 3.45Å; G206-L231 PolarHBondContact O-N 3.05Å
207M97.3Very high93.9Very high3 Ų374.4 Ų74.42%0.01540%0.4CS..  trans-13970.5177.6-172.4172.6-178.800111.2V61 L63 L170 A190 A191 F228 T229 L230V61-M207 HydrophobicContact CG1-CE 4.26Å; L63-M207 HydrophobicContact CB-SD 4.27Å; L170-M207 HydrophobicContact CD1-CE 3.71Å; A190-M207 CarbonylContact C-O 3.51Å; A190-M207 WeakPolarHBondContact CA-O 3.48Å; A191-M207 HydrophobicContact CB-CB 3.95Å; A191-M207 HydrophobicContact CB-CE 4.4Å; A191-M207 HydrophobicContact CB-CG 3.69Å; A191-M207 HydrophobicContact CB-SD 3.65Å; A191-M207 PolarHBondContact N-O 3.47Å; M207-F228 HydrophobicContact CE-CB 3.4Å; M207-F228 VanDerWaalsContact CE-CB 3.4Å; M207-F228 HydrophobicContact CE-CG 4.2Å; M207-F228 HydrophobicContact CG-CB 4.11Å; M207-T229 VanDerWaalsContact CA-O 3.31Å; M207-T229 WeakPolarHBondContact CA-O 3.3Å; M207-L230 HydrophobicContact CB-CD1 4.13Å; M207-L230 HydrophobicContact CG-CD1 4.3Å; M207-L230 HydrophobicContact SD-CD1 4.11Å
208P97.9Very high93.4Very high56 Ų5675.5 Ų75.536%0.36441%0.411SS..BIsolated β-bridgetrans-59.7144.8177.924.2-36.6000112.7F228 T229 L231P208-F228 WeakPolarHBondContact O-CA 3.35Å; P208-T229 WeakPolarHBondContact CD-O 3.43Å; P208-T229 PolarHBondContact O-N 3.27Å; P208-L231 HydrophobicContact CG-CD1 4.32Å
209A97.5Very high92.9Very high17 Ų1770.8 Ų70.814%0.1439%0.393CS..EExtended strand (participates in β ladder)trans-106.1128.317700000109.8P186 A189 F228P186-A209 HydrophobicContact CB-CB 4.05Å; A189-A209 PolarHBondContact O-N 3.42Å; A209-F228 HydrophobicContact CB-CD1 3.59Å; A209-F228 HydrophobicContact CB-CE1 3.46Å; A209-F228 VanDerWaalsContact CB-CE1 3.46Å; A209-F228 HydrophobicContact CB-CG 4.43Å; A209-F228 HydrophobicContact CB-CZ 4.18Å
210Q96.8Very high92.5Very high100 Ų10074.7 Ų74.747%0.46742%0.424SS..EExtended strand (participates in β ladder)trans-125.8121.5176.9-168.6179.523.900109.7R212 T227Q210-R212 HydrophobicContact CG-CG 4.44Å; Q210-T227 PolarHBondContact N-O 3.35Å; Q210-T227 PolarHBondContact O-N 2.92Å
211R95.6Very high92.3Very high98 Ų9871.8 Ų71.837%0.3740%0.401SS..EExtended strand (participates in β ladder)trans-80.3133.8169.4-176176.8174.5-80.61.9109.6D183 V184 D225D183-R211 IonicContact OD1-CZ 2.84Å; D183-R211 IonicContact OD1-NE 3.25Å; D183-R211 PolarHBondContact OD1-NE 3.32Å; D183-R211 IonicContact OD1-NH2 3.89Å; D183-R211 PolarHBondContact OD1-NH2 3.25Å; D183-R211 IonicContact OD2-NH2 2.86Å; V184-R211 PolarHBondContact O-NE 2.9Å; R211-D225 CarbonylContact C-O 3.57Å; R211-D225 WeakPolarHBondContact CA-O 3.47Å
212R94.4Very high92.3Very high117 Ų11770.7 Ų70.744%0.44240%0.399SS..EExtended strand (participates in β ladder)trans-126.1158.4172.7-64.8175.7-176.1-161.41.2108.8Q210 L214 P224 D225Q210-R212 HydrophobicContact CG-CG 4.44Å; R212-L214 HydrophobicContact CB-CG 4.48Å; R212-P224 WeakPolarHBondContact O-CA 3.37Å; R212-D225 VanDerWaalsContact C-OD1 3.27Å; R212-D225 WeakPolarHBondContact CB-OD1 3.31Å; R212-D225 PolarHBondContact N-O 3.46Å; R212-D225 PolarHBondContact O-N 3.42Å; R212-D225 VanDerWaalsContact O-OD1 3.11Å
213V93.3Very high92.3Very high74 Ų7472.1 Ų72.145%0.44841%0.405SS..EExtended strand (participates in β ladder)trans-131.8110.7175.4-177.60000105.5P222 P224V213-P222 HydrophobicContact CG1-CB 3.59Å; V213-P224 HydrophobicContact CG2-CB 4.45Å
214L90.3Very high92.3Very high69 Ų6965.6 Ų65.636%0.36138%0.381SS..EExtended strand (participates in β ladder)trans-116.3137.2-173.1-62.3173.4000109.3R212 Y223R212-L214 HydrophobicContact CB-CG 4.48Å; L214-Y223 PolarHBondContact N-O 2.76Å; L214-Y223 PolarHBondContact O-N 2.93Å
215T90.7Very high92.2Very high96 Ų9664.6 Ų64.659%0.58937%0.374SS*.EExtended strand (participates in β ladder)trans-101.7119.1167.7-53.40000107.4C219T215-C219 WeakPolarHBondContact CG2-O 3.41Å
216Y87.1Confident92.3Very high84 Ų8459.6 Ų59.633%0.32935%0.348SS..  trans-85.4149.1-179-66.4-75.4000110.7C218 C219 Y223Y216-C218 PolarHBondContact O-N 2.93Å; Y216-C219 PolarHBondContact O-N 2.92Å; Y216-C219 VanDerWaalsContact O-N 3.08Å; Y216-Y223 AromaticContact CD2-CD2 3.77Å; Y216-Y223 HydrophobicContact CD2-CD2 3.77Å; Y216-Y223 HydrophobicContact CD2-CE2 4.49Å; Y216-Y223 AromaticContact CD2-CG 4Å; Y216-Y223 HydrophobicContact CD2-CG 4Å; Y216-Y223 HydrophobicContact CE2-CD2 4.25Å; Y216-Y223 AromaticContact CE2-CG 3.99Å; Y216-Y223 HydrophobicContact CE2-CG 3.99Å
217G86.5Confident92.3Very high97 Ų9759.5 Ų59.5100%135%0.345SS*.THydrogen-bonded Turntrans-61.6-16.3-179.900000115
218C84.7Confident92.3Very high110 Ų11059.5 Ų59.574%0.74335%0.345SS*.THydrogen-bonded Turntrans-81.7-24.3176.554.80000114.1Y216Y216-C218 PolarHBondContact O-N 2.93Å
219C83.7Confident92.3Very high46 Ų4658.4 Ų58.431%0.31134%0.337SS..  trans-136.3140.6-169.2-61.70000111T215 Y216 E221 Y223T215-C219 WeakPolarHBondContact CG2-O 3.41Å; Y216-C219 PolarHBondContact O-N 2.92Å; Y216-C219 VanDerWaalsContact O-N 3.08Å; C219-E221 VanDerWaalsContact C-N 3.28Å; C219-E221 PolarHBondContact O-N 3.43Å; C219-Y223 HydrophobicContact CB-CE2 3.8Å
220S85.1Confident92.3Very high117 Ų11757.6 Ų57.682%0.81833%0.33SS*.SBendtrans-77.5-15.3176.744.90000113.4
221E87.6Confident92.3Very high74 Ų7455.1 Ų55.135%0.34632%0.32SS..SBendtrans-83.5144.4-178.4-62.7-179-167.100112.4C219 Y223C219-E221 VanDerWaalsContact C-N 3.28Å; C219-E221 PolarHBondContact O-N 3.43Å; E221-Y223 HydrophobicContact CB-CE2 4.42Å; E221-Y223 WeakPolarHBondContact O-CD2 3.38Å
222P92.4Very high92.4Very high35 Ų3550.5 Ų50.523%0.22730%0.303CS..EExtended strand (participates in β ladder)trans-75.1137.6172.930.3-32.5000110.8G179 V213G179-P222 VanDerWaalsContact CA-O 3.22Å; G179-P222 WeakPolarHBondContact CA-O 3.23Å; G179-P222 PolarHBondContact N-O 3.43Å; V213-P222 HydrophobicContact CG1-CB 3.59Å
223Y93.3Very high92.4Very high34 Ų3448.4 Ų48.413%0.13330%0.298CS..EExtended strand (participates in β ladder)trans-111116174.7-74.8-99.2000109.7L214 Y216 C219 E221L214-Y223 PolarHBondContact N-O 2.76Å; L214-Y223 PolarHBondContact O-N 2.93Å; Y216-Y223 AromaticContact CD2-CD2 3.77Å; Y216-Y223 HydrophobicContact CD2-CD2 3.77Å; Y216-Y223 HydrophobicContact CD2-CE2 4.49Å; Y216-Y223 AromaticContact CD2-CG 4Å; Y216-Y223 HydrophobicContact CD2-CG 4Å; Y216-Y223 HydrophobicContact CE2-CD2 4.25Å; Y216-Y223 AromaticContact CE2-CG 3.99Å; Y216-Y223 HydrophobicContact CE2-CG 3.99Å; C219-Y223 HydrophobicContact CB-CE2 3.8Å; E221-Y223 HydrophobicContact CB-CE2 4.42Å; E221-Y223 WeakPolarHBondContact O-CD2 3.38Å
224P94.9Very high92.4Very high6 Ų645.1 Ų45.14%0.03928%0.277CS..EExtended strand (participates in β ladder)trans-82127.8175.330.5-30.6000110.9G179 L182 R212 V213G179-P224 VanDerWaalsContact CA-CD 3.45Å; L182-P224 WeakPolarHBondContact O-CG 3.39Å; R212-P224 WeakPolarHBondContact O-CA 3.37Å; V213-P224 HydrophobicContact CG2-CB 4.45Å
225D95.6Very high92.6Very high5 Ų546.8 Ų46.83%0.02728%0.279CS..EExtended strand (participates in β ladder)trans-128.7158.6176.165.7-30.3000111.3Y119 T171 F172 R211 R212Y119-D225 HydrophobicContact CE2-CB 4.06Å; T171-D225 HydrophobicContact CG2-CB 3.92Å; T171-D225 WeakPolarHBondContact CG2-OD2 3.32Å; F172-D225 CarbonylContact O-C 3.55Å; F172-D225 WeakPolarHBondContact O-CA 3.41Å; R211-D225 CarbonylContact C-O 3.57Å; R211-D225 WeakPolarHBondContact CA-O 3.47Å; R212-D225 VanDerWaalsContact C-OD1 3.27Å; R212-D225 WeakPolarHBondContact CB-OD1 3.31Å; R212-D225 PolarHBondContact N-O 3.46Å; R212-D225 PolarHBondContact O-N 3.42Å; R212-D225 VanDerWaalsContact O-OD1 3.11Å
226V97Very high92.5Very high0 Ų042.8 Ų42.80%026%0.255CS..EExtended strand (participates in β ladder)trans-123.9116177.2-178.20000108.5L59 F172 V184 P186 F228L59-V226 HydrophobicContact CD2-CB 4.4Å; F172-V226 PolarHBondContact N-O 3.4Å; F172-V226 PolarHBondContact O-N 2.87Å; V184-V226 HydrophobicContact CB-CG2 4.4Å; V184-V226 HydrophobicContact CG1-CG2 3.82Å; P186-V226 HydrophobicContact CB-CG1 3.9Å; P186-V226 HydrophobicContact CG-CG1 4.28Å; V226-F228 HydrophobicContact CB-CE2 4.43Å; V226-F228 HydrophobicContact CG1-CD2 4.12Å; V226-F228 HydrophobicContact CG1-CE2 3.58Å; V226-F228 HydrophobicContact CG1-CZ 3.93Å
227T97.3Very high92.6Very high11 Ų1142.1 Ų42.17%0.06727%0.268CS..EExtended strand (participates in β ladder)trans-99119.2175.5-52.50000110.1L170 T171 Q210L170-T227 CarbonylContact O-C 3.58Å; L170-T227 WeakPolarHBondContact O-CA 3.48Å; T171-T227 PolarHBondContact OG1-OG1 3.19Å; T171-T227 VanDerWaalsContact OG1-OG1 3.08Å; Q210-T227 PolarHBondContact N-O 3.35Å; Q210-T227 PolarHBondContact O-N 2.92Å
228F97.6Very high92.7Very high4 Ų440.2 Ų40.22%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-94.5119.3167.5-65.2-92.6000109.2L59 V61 G169 L170 F172 A191 M207 P208 A209 V226L59-F228 HydrophobicContact CD2-CE2 3.86Å; L59-F228 HydrophobicContact CG-CE2 4.33Å; V61-F228 HydrophobicContact CB-CD1 4.33Å; V61-F228 HydrophobicContact CB-CD2 4.42Å; V61-F228 HydrophobicContact CB-CE1 4.02Å; V61-F228 HydrophobicContact CB-CE2 4.13Å; V61-F228 HydrophobicContact CB-CZ 3.91Å; V61-F228 HydrophobicContact CG2-CD2 3.94Å; V61-F228 HydrophobicContact CG2-CE1 4.27Å; V61-F228 HydrophobicContact CG2-CE2 3.48Å; V61-F228 VanDerWaalsContact CG2-CE2 3.48Å; V61-F228 HydrophobicContact CG2-CZ 3.66Å; G169-F228 CarbonylContact C-O 3.58Å; L170-F228 PolarHBondContact N-O 3.08Å; L170-F228 PolarHBondContact O-N 2.96Å; F172-F228 AromaticContact CD2-CD2 3.87Å; F172-F228 HydrophobicContact CD2-CD2 3.87Å; F172-F228 HydrophobicContact CD2-CE2 4.19Å; F172-F228 HydrophobicContact CE2-CD2 4.1Å; A191-F228 HydrophobicContact CB-CD1 3.74Å; A191-F228 HydrophobicContact CB-CE1 4.06Å; M207-F228 HydrophobicContact CE-CB 3.4Å; M207-F228 VanDerWaalsContact CE-CB 3.4Å; M207-F228 HydrophobicContact CE-CG 4.2Å; M207-F228 HydrophobicContact CG-CB 4.11Å; P208-F228 WeakPolarHBondContact O-CA 3.35Å; A209-F228 HydrophobicContact CB-CD1 3.59Å; A209-F228 HydrophobicContact CB-CE1 3.46Å; A209-F228 VanDerWaalsContact CB-CE1 3.46Å; A209-F228 HydrophobicContact CB-CG 4.43Å; A209-F228 HydrophobicContact CB-CZ 4.18Å; V226-F228 HydrophobicContact CB-CE2 4.43Å; V226-F228 HydrophobicContact CG1-CD2 4.12Å; V226-F228 HydrophobicContact CG1-CE2 3.58Å; V226-F228 HydrophobicContact CG1-CZ 3.93Å
229T97.5Very high92.9Very high33 Ų3337.4 Ų37.420%0.20222%0.216CC..EExtended strand (participates in β ladder)trans-102.5108-177.1-53.60000110.2R167 C168 M207 P208 L231R167-T229 HydrophobicContact CB-CG2 4.41Å; C168-T229 CarbonylContact O-C 3.55Å; C168-T229 WeakPolarHBondContact O-CA 3.5Å; M207-T229 VanDerWaalsContact CA-O 3.31Å; M207-T229 WeakPolarHBondContact CA-O 3.3Å; P208-T229 WeakPolarHBondContact CD-O 3.43Å; P208-T229 PolarHBondContact O-N 3.27Å; T229-L231 HydrophobicContact CG2-CD2 4.09Å; T229-L231 PolarHBondContact O-N 2.97Å
230L97.3Very high93.1Very high0 Ų037 Ų370%021%0.212CC..EExtended strand (participates in β ladder)trans-76.7120.9175.5-172.362.4000110.3L63 I66 L76 L78 C168 V204 M207 L232L63-L230 HydrophobicContact CD2-CD1 3.73Å; I66-L230 HydrophobicContact CD1-CD2 4.45Å; I66-L230 HydrophobicContact CG1-CD2 4.49Å; L76-L230 HydrophobicContact CD2-CD2 3.95Å; L78-L230 HydrophobicContact CD1-CD2 4.04Å; L78-L230 HydrophobicContact CD2-CD2 3.96Å; C168-L230 PolarHBondContact N-O 3.27Å; C168-L230 PolarHBondContact O-N 3.48Å; V204-L230 HydrophobicContact CG1-CD1 3.9Å; V204-L230 HydrophobicContact CG2-CD1 4.45Å; M207-L230 HydrophobicContact CB-CD1 4.13Å; M207-L230 HydrophobicContact CG-CD1 4.3Å; M207-L230 HydrophobicContact SD-CD1 4.11Å; L230-L232 HydrophobicContact CD1-CD2 4.23Å; L230-L232 HydrophobicContact CD2-CD1 4.08Å; L230-L232 HydrophobicContact CD2-CD2 3.79Å; L230-L232 HydrophobicContact CD2-CG 4.09Å; L230-L232 HydrophobicContact CG-CD1 4.38Å; L230-L232 HydrophobicContact CG-CD2 3.7Å; L230-L232 HydrophobicContact CG-CG 3.91Å
231L97.2Very high93.2Very high48 Ų4834.9 Ų34.925%0.25120%0.197SC..EExtended strand (participates in β ladder)trans-100.1113.6179-56.4176.4000109.4R167 L205 G206 P208 T229R167-L231 HydrophobicContact CG-CD2 3.87Å; L205-L231 HydrophobicContact CB-CB 4.02Å; L205-L231 PolarHBondContact N-O 3.36Å; G206-L231 WeakPolarHBondContact O-CB 3.45Å; G206-L231 PolarHBondContact O-N 3.05Å; P208-L231 HydrophobicContact CG-CD1 4.32Å; T229-L231 HydrophobicContact CG2-CD2 4.09Å; T229-L231 PolarHBondContact O-N 2.97Å
232L96.4Very high93.3Very high1 Ų136.8 Ų36.81%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-118.2145.6-173.8-59.2174.7000111.3I66 M69 A165 Q166 W202 V204 L230I66-L232 HydrophobicContact CD1-CD2 3.64Å; M69-L232 HydrophobicContact CE-CD1 3.44Å; M69-L232 VanDerWaalsContact CE-CD1 3.44Å; A165-L232 CarbonylContact C-O 3.52Å; A165-L232 VanDerWaalsContact CA-O 3.25Å; A165-L232 WeakPolarHBondContact CA-O 3.19Å; Q166-L232 HydrophobicContact CB-CB 4.25Å; Q166-L232 PolarHBondContact N-O 3.48Å; Q166-L232 PolarHBondContact O-N 3.39Å; W202-L232 HydrophobicContact CB-CD2 4.31Å; W202-L232 HydrophobicContact CD2-CB 4.38Å; W202-L232 HydrophobicContact CD2-CD1 4.4Å; W202-L232 HydrophobicContact CE3-CB 3.63Å; W202-L232 HydrophobicContact CE3-CD1 4.37Å; W202-L232 HydrophobicContact CZ3-CB 4.06Å; V204-L232 HydrophobicContact CG2-CD2 3.87Å; L230-L232 HydrophobicContact CD1-CD2 4.23Å; L230-L232 HydrophobicContact CD2-CD1 4.08Å; L230-L232 HydrophobicContact CD2-CD2 3.79Å; L230-L232 HydrophobicContact CD2-CG 4.09Å; L230-L232 HydrophobicContact CG-CD1 4.38Å; L230-L232 HydrophobicContact CG-CD2 3.7Å; L230-L232 HydrophobicContact CG-CG 3.91Å
233H95.3Very high93Very high72 Ų7236.4 Ų36.433%0.33321%0.205SC..EExtended strand (participates in β ladder)trans-132.8129.7170.1-172.960.9000110.2D164 R203 L205D164-H233 PolarHBondContact O-ND1 3.36Å; R203-H233 WeakPolarHBondContact CB-O 3.4Å; R203-H233 PolarHBondContact N-O 3.23Å; R203-H233 PolarHBondContact O-N 3.42Å; L205-H233 HydrophobicContact CD1-CB 4.3Å; L205-H233 HydrophobicContact CG-CB 4.44Å
234R93.4Very high92.7Very high5 Ų535.2 Ų35.22%0.01920%0.201CC..EExtended strand (participates in β ladder)trans-74.4140.1-174-167.7-179.7-58.9-99.44.3111.7E71 P162 D164 E201 W202 A236 Y239E71-R234 IonicContact OE1-CZ 3.96Å; E71-R234 VanDerWaalsContact OE1-CZ 3.25Å; E71-R234 IonicContact OE1-NH1 3.6Å; E71-R234 PolarHBondContact OE1-NH1 2.85Å; E71-R234 IonicContact OE1-NH2 3.12Å; E71-R234 PolarHBondContact OE1-NH2 3.01Å; P162-R234 WeakPolarHBondContact O-CD 3.3Å; D164-R234 PolarHBondContact O-N 3Å; D164-R234 WeakPolarHBondContact OD1-CD 3.32Å; D164-R234 IonicContact OD1-CZ 3.02Å; D164-R234 IonicContact OD1-NE 3.89Å; D164-R234 PolarHBondContact OD1-NE 3.49Å; D164-R234 IonicContact OD1-NH2 3.26Å; D164-R234 IonicContact OD2-CZ 3.59Å; D164-R234 IonicContact OD2-NE 2.83Å; D164-R234 PolarHBondContact OD2-NE 3.11Å; D164-R234 IonicContact OD2-NH2 3.84Å; D164-R234 PolarHBondContact OD2-NH2 3.28Å; D164-R234 VanDerWaalsContact OD2-NH2 3.12Å; E201-R234 IonicContact OE1-CZ 3.7Å; E201-R234 IonicContact OE1-NH1 3.68Å; E201-R234 PolarHBondContact OE1-NH1 3.5Å; W202-R234 HydrophobicContact CE3-CB 4.14Å; W202-R234 HydrophobicContact CH2-CB 4.25Å; W202-R234 VanDerWaalsContact CH2-NH2 3.28Å; W202-R234 VanDerWaalsContact CZ2-CZ 3.43Å; W202-R234 VanDerWaalsContact CZ2-NH2 3.31Å; W202-R234 HydrophobicContact CZ3-CB 3.82Å; R234-A236 PolarHBondContact O-N 3.42Å; R234-Y239 HydrophobicContact CG-CE2 4.18Å; R234-Y239 PolarHBondContact NH1-OH 3.18Å
235R93.2Very high92.3Very high104 Ų10439.5 Ų39.539%0.39222%0.223SC..  trans-85.289.8170-65.8173.8-179.6-93.612.7108.8E198 N199 V200 E201 A237E198-R235 IonicContact OE2-NH2 2.83Å; E198-R235 PolarHBondContact OE2-NH2 2.84Å; N199-R235 PolarHBondContact O-NE 2.89Å; V200-R235 WeakPolarHBondContact O-CD 3.38Å; E201-R235 WeakPolarHBondContact O-CB 3.45Å; E201-R235 PolarHBondContact O-N 2.81Å; R235-A237 VanDerWaalsContact C-N 3.28Å; R235-A237 PolarHBondContact O-N 3.36Å
236A90.3Very high92.1Very high12 Ų1241 Ų4110%0.09923%0.233CC..THydrogen-bonded Turntrans-68.1-15.3-170.700000116.2P162 F163 R234 A238 Y239 V240P162-A236 HydrophobicContact CB-CB 4.12Å; P162-A236 HydrophobicContact CG-CB 4.07Å; P162-A236 WeakPolarHBondContact O-CB 3.24Å; F163-A236 HydrophobicContact CD1-CB 3.58Å; F163-A236 HydrophobicContact CE1-CB 3.33Å; F163-A236 HydrophobicContact CG-CB 4.46Å; F163-A236 HydrophobicContact CZ-CB 4.02Å; R234-A236 PolarHBondContact O-N 3.42Å; A236-A238 VanDerWaalsContact C-N 3.34Å; A236-A238 PolarHBondContact O-N 2.87Å; A236-Y239 WeakPolarHBondContact O-CB 3.44Å; A236-Y239 PolarHBondContact O-N 3.18Å; A236-V240 HydrophobicContact CB-CG2 4.48Å; A236-V240 WeakPolarHBondContact O-CG2 3.48Å; A236-V240 PolarHBondContact O-N 3.16Å
237A87.9Confident91.6Very high71 Ų7141 Ų4159%0.58723%0.233SC*.Hα-helixtrans-56.4-42-16800000113.9R235 V240 C241R235-A237 VanDerWaalsContact C-N 3.28Å; R235-A237 PolarHBondContact O-N 3.36Å; A237-V240 PolarHBondContact O-N 3.22Å; A237-C241 PolarHBondContact O-N 3.07Å; A237-C241 PolarHBondContact O-SG 3.48Å
238A88.5Confident91.2Very high56 Ų5641.2 Ų41.246%0.46323%0.234SC..Hα-helixtrans-65.1-40.1177.800000112A236 C241 N242A236-A238 VanDerWaalsContact C-N 3.34Å; A236-A238 PolarHBondContact O-N 2.87Å; A238-C241 PolarHBondContact O-N 2.7Å; A238-N242 VanDerWaalsContact O-CB 3.22Å; A238-N242 WeakPolarHBondContact O-CB 3.16Å; A238-N242 VanDerWaalsContact O-CG 3.31Å; A238-N242 PolarHBondContact O-N 2.86Å; A238-N242 PolarHBondContact O-ND2 2.76Å
239Y88.9Confident90.9Very high52 Ų5245.7 Ų45.720%0.20426%0.258CS..Hα-helixtrans-68.2-37.8177.1-59.4-87.3000111.6F161 P162 E201 R234 A236 L243 L244F161-Y239 HydrophobicContact CE1-CD1 4.27Å; F161-Y239 HydrophobicContact CE2-CD1 4.4Å; F161-Y239 HydrophobicContact CE2-CE1 4.28Å; F161-Y239 AromaticContact CZ-CD1 3.56Å; F161-Y239 HydrophobicContact CZ-CD1 3.56Å; F161-Y239 AromaticContact CZ-CE1 3.78Å; F161-Y239 HydrophobicContact CZ-CE1 3.78Å; F161-Y239 HydrophobicContact CZ-CG 4.22Å; P162-Y239 HydrophobicContact CB-CD2 4.26Å; P162-Y239 HydrophobicContact CB-CG 4.01Å; E201-Y239 HydrophobicContact CG-CE2 4.28Å; E201-Y239 PolarHBondContact OE1-OH 3.15Å; R234-Y239 HydrophobicContact CG-CE2 4.18Å; R234-Y239 PolarHBondContact NH1-OH 3.18Å; A236-Y239 WeakPolarHBondContact O-CB 3.44Å; A236-Y239 PolarHBondContact O-N 3.18Å; Y239-L243 HydrophobicContact CD1-CD1 3.81Å; Y239-L243 WeakPolarHBondContact O-CA 3.44Å; Y239-L243 VanDerWaalsContact O-CB 3.25Å; Y239-L243 WeakPolarHBondContact O-CB 3.48Å; Y239-L243 PolarHBondContact O-N 2.85Å; Y239-L244 PolarHBondContact O-N 3.31Å; Y239-L244 VanDerWaalsContact O-N 3.15Å
240V88.3Confident90.5Very high36 Ų3645.4 Ų45.422%0.21826%0.255CS..Iπ-helixtrans-63.1-47.1174.8172.80000110.9F163 A236 A237 L244 L245F163-V240 HydrophobicContact CE1-CG2 4.26Å; F163-V240 HydrophobicContact CZ-CG2 3.69Å; A236-V240 HydrophobicContact CB-CG2 4.48Å; A236-V240 WeakPolarHBondContact O-CG2 3.48Å; A236-V240 PolarHBondContact O-N 3.16Å; A237-V240 PolarHBondContact O-N 3.22Å; V240-L244 HydrophobicContact CG1-CD2 4.3Å; V240-L244 WeakPolarHBondContact O-CB 3.38Å; V240-L244 PolarHBondContact O-N 3.34Å; V240-L245 PolarHBondContact O-N 3.45Å
241C88.2Confident90.1Very high74 Ų7445.4 Ų45.450%0.526%0.255SS..Iπ-helixtrans-71.3-37.5-179.4-68.20000113.6A237 A238 P246A237-C241 PolarHBondContact O-N 3.07Å; A237-C241 PolarHBondContact O-SG 3.48Å; A238-C241 PolarHBondContact O-N 2.7Å; C241-P246 WeakPolarHBondContact O-CD 3.36Å
242N87.7Confident89.6Confident114 Ų11445.7 Ų45.761%0.6126%0.256SS*.Iπ-helixtrans-97.8-25.2-171.1-63.1-20000114A238A238-N242 VanDerWaalsContact O-CB 3.22Å; A238-N242 WeakPolarHBondContact O-CB 3.16Å; A238-N242 VanDerWaalsContact O-CG 3.31Å; A238-N242 PolarHBondContact O-N 2.86Å; A238-N242 PolarHBondContact O-ND2 2.76Å
243L86.3Confident89.2Confident26 Ų2649.5 Ų49.514%0.13628%0.276CS..Iπ-helixtrans-109.3-52.5178.3-60.5173.6000111.5Y239 C247 L284 L285Y239-L243 HydrophobicContact CD1-CD1 3.81Å; Y239-L243 WeakPolarHBondContact O-CA 3.44Å; Y239-L243 VanDerWaalsContact O-CB 3.25Å; Y239-L243 WeakPolarHBondContact O-CB 3.48Å; Y239-L243 PolarHBondContact O-N 2.85Å; L243-C247 PolarHBondContact O-SG 3.41Å; L243-L284 HydrophobicContact CD2-CD2 4.14Å; L243-L285 HydrophobicContact CD1-CD1 4.49Å
244L86.9Confident88.8Confident10 Ų1046.2 Ų46.25%0.05226%0.262CS..Iπ-helixtrans-73.1-48.9-172.2-173.766.2000112.4Y239 V240 C247 V248 I298 V445 A449Y239-L244 PolarHBondContact O-N 3.31Å; Y239-L244 VanDerWaalsContact O-N 3.15Å; V240-L244 HydrophobicContact CG1-CD2 4.3Å; V240-L244 WeakPolarHBondContact O-CB 3.38Å; V240-L244 PolarHBondContact O-N 3.34Å; L244-C247 PolarHBondContact O-N 3.09Å; L244-C247 VanDerWaalsContact O-N 3.12Å; L244-V248 HydrophobicContact CD1-CG2 4.4Å; L244-V248 HydrophobicContact CG-CG2 4.33Å; L244-V248 WeakPolarHBondContact O-CG2 3.5Å; L244-V248 PolarHBondContact O-N 3.39Å; L244-I298 HydrophobicContact CD1-CD1 3.65Å; L244-V445 HydrophobicContact CD1-CG1 3.61Å; L244-V445 HydrophobicContact CD2-CG1 4.15Å; L244-A449 HydrophobicContact CD2-CB 4.42Å
245L88Confident88.5Confident95 Ų9546 Ų4650%0.49726%0.261SS..Hα-helixtrans-60.1-48-175.2179.969.8000113.2V240 C247 V248 L249V240-L245 PolarHBondContact O-N 3.45Å; L245-C247 PolarHBondContact O-N 3.5Å; L245-V248 PolarHBondContact O-N 2.83Å; L245-L249 HydrophobicContact CG-CD1 4.4Å; L245-L249 WeakPolarHBondContact O-CG 3.39Å; L245-L249 PolarHBondContact O-N 3.2Å
246P89.9Confident88.2Confident37 Ų3745 Ų4524%0.2426%0.263CS..Hα-helixtrans-58.3-35.5175.2-25.536000112.6C241 L249 I250 F281C241-P246 WeakPolarHBondContact O-CD 3.36Å; P246-L249 PolarHBondContact O-N 3.4Å; P246-I250 WeakPolarHBondContact O-CB 3.44Å; P246-I250 WeakPolarHBondContact O-CD1 3.36Å; P246-I250 WeakPolarHBondContact O-CG1 3.25Å; P246-I250 PolarHBondContact O-N 3.18Å; P246-F281 HydrophobicContact CB-CZ 4.11Å
247C87.8Confident88Confident0 Ų044.6 Ų44.60%026%0.259CS..Hα-helixtrans-76-36.4-177.3-63.40000112.5L243 L244 L245 L249 I250 S251 Y301 Y302L243-C247 PolarHBondContact O-SG 3.41Å; L244-C247 PolarHBondContact O-N 3.09Å; L244-C247 VanDerWaalsContact O-N 3.12Å; L245-C247 PolarHBondContact O-N 3.5Å; C247-L249 VanDerWaalsContact C-N 3.34Å; C247-I250 PolarHBondContact O-N 3.3Å; C247-S251 VanDerWaalsContact O-CB 3.3Å; C247-S251 WeakPolarHBondContact O-CB 3.28Å; C247-S251 PolarHBondContact O-N 3.23Å; C247-S251 PolarHBondContact O-OG 3.21Å; C247-Y301 HydrophobicContact CB-CE1 4.44Å; C247-Y302 HydrophobicContact CB-CE1 3.9Å; C247-Y302 WeakPolarHBondContact SG-CE1 3.48Å; C247-Y302 VanDerWaalsContact SG-CZ 3.53Å; C247-Y302 PolarHBondContact SG-OH 3.37Å
248V89.2Confident87.9Confident15 Ų1541.4 Ų41.49%0.09123%0.233CC..Hα-helixtrans-59.9-47168.71720000109.7L244 L245 I250 S251 L252 L446L244-V248 HydrophobicContact CD1-CG2 4.4Å; L244-V248 HydrophobicContact CG-CG2 4.33Å; L244-V248 WeakPolarHBondContact O-CG2 3.5Å; L244-V248 PolarHBondContact O-N 3.39Å; L245-V248 PolarHBondContact O-N 2.83Å; V248-I250 PolarHBondContact O-N 3.38Å; V248-S251 PolarHBondContact O-N 3.04Å; V248-S251 PolarHBondContact O-OG 3.38Å; V248-L252 HydrophobicContact CG1-CD1 4.14Å; V248-L252 WeakPolarHBondContact O-CG 3.44Å; V248-L252 PolarHBondContact O-N 2.97Å; V248-L446 HydrophobicContact CG2-CD1 4.35Å
249L89.9Confident87.8Confident98 Ų9845.4 Ų45.451%0.51324%0.241SC..Hα-helixtrans-59.6-47.4177.6-67.4172.2000112.2L245 P246 C247 S251 L252 L253L245-L249 HydrophobicContact CG-CD1 4.4Å; L245-L249 WeakPolarHBondContact O-CG 3.39Å; L245-L249 PolarHBondContact O-N 3.2Å; P246-L249 PolarHBondContact O-N 3.4Å; C247-L249 VanDerWaalsContact C-N 3.34Å; L249-S251 VanDerWaalsContact C-N 3.33Å; L249-S251 PolarHBondContact O-N 2.94Å; L249-L252 PolarHBondContact O-N 3.14Å; L249-L253 WeakPolarHBondContact O-CG 3.26Å; L249-L253 PolarHBondContact O-N 2.7Å; L249-L253 VanDerWaalsContact O-N 3.08Å
250I90.2Very high87.8Confident27 Ų2745.6 Ų45.614%0.13825%0.245CC..Hα-helixtrans-63.1-39.4177.6-69164.8000111.3P246 C247 V248 L252 L253 A254 V274 A277 L278 F281P246-I250 WeakPolarHBondContact O-CB 3.44Å; P246-I250 WeakPolarHBondContact O-CD1 3.36Å; P246-I250 WeakPolarHBondContact O-CG1 3.25Å; P246-I250 PolarHBondContact O-N 3.18Å; C247-I250 PolarHBondContact O-N 3.3Å; V248-I250 PolarHBondContact O-N 3.38Å; I250-L252 VanDerWaalsContact C-N 3.29Å; I250-L252 PolarHBondContact O-N 3.45Å; I250-L253 WeakPolarHBondContact O-CB 3.49Å; I250-L253 PolarHBondContact O-N 3.47Å; I250-L253 VanDerWaalsContact O-N 3.15Å; I250-A254 PolarHBondContact O-N 3.47Å; I250-V274 HydrophobicContact CG2-CB 4.48Å; I250-V274 HydrophobicContact CG2-CG1 3.73Å; I250-A277 HydrophobicContact CD1-CB 4.27Å; I250-L278 HydrophobicContact CB-CD2 4.49Å; I250-L278 HydrophobicContact CG2-CD1 4.46Å; I250-L278 HydrophobicContact CG2-CD2 3.92Å; I250-L278 HydrophobicContact CG2-CG 3.87Å; I250-F281 HydrophobicContact CD1-CD2 3.97Å; I250-F281 HydrophobicContact CD1-CE2 3.5Å; I250-F281 HydrophobicContact CD1-CZ 4.49Å
251S87.8Confident87.6Confident1 Ų147.3 Ų47.31%0.00726%0.257CS..Hα-helixtrans-63.8-34.3176.779.30000112.5C247 V248 L249 A254 P255 Y301 S442C247-S251 VanDerWaalsContact O-CB 3.3Å; C247-S251 WeakPolarHBondContact O-CB 3.28Å; C247-S251 PolarHBondContact O-N 3.23Å; C247-S251 PolarHBondContact O-OG 3.21Å; V248-S251 PolarHBondContact O-N 3.04Å; V248-S251 PolarHBondContact O-OG 3.38Å; L249-S251 VanDerWaalsContact C-N 3.33Å; L249-S251 PolarHBondContact O-N 2.94Å; S251-A254 PolarHBondContact O-N 3.36Å; S251-P255 WeakPolarHBondContact O-CD 3.44Å; S251-Y301 PolarHBondContact OG-OH 2.93Å; S251-S442 PolarHBondContact OG-OG 3.37Å
252L87.8Confident87.3Confident53 Ų5344.1 Ų44.128%0.27724%0.237SC..Hα-helixtrans-75.6-23.3175.6-67.1172.6000112.7V248 L249 I250 A254 P255V248-L252 HydrophobicContact CG1-CD1 4.14Å; V248-L252 WeakPolarHBondContact O-CG 3.44Å; V248-L252 PolarHBondContact O-N 2.97Å; L249-L252 PolarHBondContact O-N 3.14Å; I250-L252 VanDerWaalsContact C-N 3.29Å; I250-L252 PolarHBondContact O-N 3.45Å; L252-A254 VanDerWaalsContact C-N 3.34Å; L252-P255 WeakPolarHBondContact O-CD 3.41Å
253L88.7Confident87Confident81 Ų8144.3 Ų44.342%0.42424%0.237SC..Hα-helixtrans-71.8-27.3171.7-67.8175.2000112.3L249 I250 L256 V274L249-L253 WeakPolarHBondContact O-CG 3.26Å; L249-L253 PolarHBondContact O-N 2.7Å; L249-L253 VanDerWaalsContact O-N 3.08Å; I250-L253 WeakPolarHBondContact O-CB 3.49Å; I250-L253 PolarHBondContact O-N 3.47Å; I250-L253 VanDerWaalsContact O-N 3.15Å; L253-L256 HydrophobicContact CD2-CD1 3.79Å; L253-L256 WeakPolarHBondContact O-CB 3.41Å; L253-L256 PolarHBondContact O-N 3.15Å; L253-V274 HydrophobicContact CB-CG2 4.43Å
254A86.1Confident86.8Confident4 Ų446 Ų463%0.03325%0.252CS..Hα-helixtrans-63.2-46.4-175.600000113.7I250 S251 L252 L256 A257 V274 V309I250-A254 PolarHBondContact O-N 3.47Å; S251-A254 PolarHBondContact O-N 3.36Å; L252-A254 VanDerWaalsContact C-N 3.34Å; A254-L256 VanDerWaalsContact C-N 3.27Å; A254-L256 PolarHBondContact O-N 3.08Å; A254-A257 VanDerWaalsContact O-CB 3.32Å; A254-A257 WeakPolarHBondContact O-CB 3.4Å; A254-A257 PolarHBondContact O-N 3.45Å; A254-V274 HydrophobicContact CB-CG1 3.98Å; A254-V309 HydrophobicContact CB-CG2 3.76Å
255P86.8Confident86.7Confident0 Ų047.6 Ų47.60%027%0.271CS..Hα-helixtrans-63.5-29.4174.5-22.433.1000113.3S251 L252 A257 F258 L431 F434 F435 A438S251-P255 WeakPolarHBondContact O-CD 3.44Å; L252-P255 WeakPolarHBondContact O-CD 3.41Å; P255-A257 PolarHBondContact O-N 3.02Å; P255-A257 VanDerWaalsContact O-N 3.08Å; P255-F258 PolarHBondContact O-N 3.23Å; P255-L431 HydrophobicContact CB-CD1 4.08Å; P255-L431 WeakPolarHBondContact O-CD1 3.35Å; P255-F434 HydrophobicContact CB-CB 4.33Å; P255-F434 HydrophobicContact CG-CB 4.24Å; P255-F435 HydrophobicContact CB-CB 3.99Å; P255-F435 HydrophobicContact CB-CD2 4.27Å; P255-F435 HydrophobicContact CG-CB 4.31Å; P255-F435 HydrophobicContact CG-CD2 4.47Å; P255-A438 HydrophobicContact CG-CB 4.16Å
256L86.5Confident86.6Confident84 Ų8448.6 Ų48.644%0.4427%0.273SS..Hα-helixtrans-60.4-20.6178.6-66172.9000112.7L253 A254 F258 H259 L260L253-L256 HydrophobicContact CD2-CD1 3.79Å; L253-L256 WeakPolarHBondContact O-CB 3.41Å; L253-L256 PolarHBondContact O-N 3.15Å; A254-L256 VanDerWaalsContact C-N 3.27Å; A254-L256 PolarHBondContact O-N 3.08Å; L256-F258 PolarHBondContact O-N 3.2Å; L256-H259 WeakPolarHBondContact O-CB 3.49Å; L256-H259 PolarHBondContact O-N 3.39Å; L256-L260 PolarHBondContact O-N 3.39Å
257A85.9Confident86.6Confident2 Ų246.8 Ų46.82%0.01726%0.261CS..THydrogen-bonded Turntrans-57.6-32.6171.400000112.9A254 P255 H259 L260 K267 L270A254-A257 VanDerWaalsContact O-CB 3.32Å; A254-A257 WeakPolarHBondContact O-CB 3.4Å; A254-A257 PolarHBondContact O-N 3.45Å; P255-A257 PolarHBondContact O-N 3.02Å; P255-A257 VanDerWaalsContact O-N 3.08Å; A257-H259 VanDerWaalsContact C-N 3.29Å; A257-H259 PolarHBondContact O-N 3.44Å; A257-L260 PolarHBondContact O-N 2.87Å; A257-K267 VanDerWaalsContact O-CE 3.3Å; A257-K267 WeakPolarHBondContact O-CE 3.46Å; A257-K267 WeakPolarHBondContact O-CG 3.21Å; A257-L270 HydrophobicContact CB-CD2 3.98Å; A257-L270 HydrophobicContact CB-CG 4.49Å
258F87.4Confident86.7Confident5 Ų548.9 Ų48.92%0.02227%0.274CS..THydrogen-bonded Turntrans-75.7-16.6175.6-65.2-74.4000113.4P255 L256 S312 T316 I319 D427 F430 L431 F434P255-F258 PolarHBondContact O-N 3.23Å; L256-F258 PolarHBondContact O-N 3.2Å; F258-S312 WeakPolarHBondContact CE2-OG 3.11Å; F258-S312 VanDerWaalsContact CZ-OG 3.28Å; F258-S312 WeakPolarHBondContact CZ-OG 3.43Å; F258-T316 HydrophobicContact CD1-CG2 3.8Å; F258-T316 HydrophobicContact CE1-CG2 3.36Å; F258-T316 HydrophobicContact CE2-CG2 4.45Å; F258-T316 HydrophobicContact CG-CG2 4.49Å; F258-T316 HydrophobicContact CZ-CG2 3.73Å; F258-I319 HydrophobicContact CD1-CD1 4.27Å; F258-I319 HydrophobicContact CE1-CD1 4.08Å; F258-D427 WeakPolarHBondContact CD1-OD1 3.41Å; F258-D427 WeakPolarHBondContact O-CB 3.43Å; F258-F430 HydrophobicContact CD1-CB 4.16Å; F258-F430 HydrophobicContact CE1-CB 3.95Å; F258-F430 HydrophobicContact CE2-CB 4.49Å; F258-F430 HydrophobicContact CZ-CB 4.14Å; F258-L431 HydrophobicContact CB-CB 3.83Å; F258-L431 HydrophobicContact CB-CD1 4.22Å; F258-F434 HydrophobicContact CD2-CD2 4.21Å; F258-F434 HydrophobicContact CE2-CB 4.36Å; F258-F434 AromaticContact CE2-CD2 3.31Å; F258-F434 HydrophobicContact CE2-CD2 3.31Å; F258-F434 AromaticContact CE2-CE2 3.85Å; F258-F434 HydrophobicContact CE2-CE2 3.85Å; F258-F434 HydrophobicContact CE2-CG 4.07Å; F258-F434 AromaticContact CZ-CD2 3.67Å; F258-F434 HydrophobicContact CZ-CD2 3.67Å; F258-F434 AromaticContact CZ-CE2 3.71Å; F258-F434 HydrophobicContact CZ-CE2 3.71Å
259H86.4Confident86.7Confident139 Ų13950.7 Ų50.764%0.64429%0.287SS*.THydrogen-bonded Turntrans-83.5-21.3174.1-162.5-56.3000111.9L256 A257 L431L256-H259 WeakPolarHBondContact O-CB 3.49Å; L256-H259 PolarHBondContact O-N 3.39Å; A257-H259 VanDerWaalsContact C-N 3.29Å; A257-H259 PolarHBondContact O-N 3.44Å; H259-L431 HydrophobicContact CB-CD2 4.4Å
260L87.3Confident86.8Confident56 Ų5648.7 Ų48.729%0.29328%0.276SS..SBendtrans-73.8129.7-179.4-159.974.9000110.6L256 A257 E266 K267L256-L260 PolarHBondContact O-N 3.39Å; A257-L260 PolarHBondContact O-N 2.87Å; L260-E266 HydrophobicContact CD2-CB 4.01Å; L260-K267 HydrophobicContact CD2-CB 4.36Å
261P85.7Confident86.7Confident72 Ų7247.6 Ų47.647%0.46827%0.272SS..  trans-64.4140.6178.526.2-32.9000111D263 S264P261-D263 PolarHBondContact O-N 3.32Å; P261-S264 WeakPolarHBondContact O-CB 3.36Å; P261-S264 PolarHBondContact O-N 2.97Å; P261-S264 VanDerWaalsContact O-N 3.15Å
262A81.5Confident86.9Confident8 Ų851.3 Ų51.37%0.06629%0.294CS..G310 helixtrans-57.8-30179.500000113.1S264 G265 M320 H323 Y324A262-S264 PolarHBondContact O-N 3.3Å; A262-S264 VanDerWaalsContact O-N 3.16Å; A262-G265 PolarHBondContact O-N 2.98Å; A262-M320 HydrophobicContact CB-CE 4.29Å; A262-M320 HydrophobicContact CB-SD 3.4Å; A262-M320 WeakPolarHBondContact CB-SD 3.25Å; A262-H323 HydrophobicContact CB-CB 4.27Å; A262-H323 VanDerWaalsContact CB-CD2 3.48Å; A262-H323 WeakPolarHBondContact CB-CD2 3.47Å; A262-Y324 PolarHBondContact O-OH 3Å
263D81.1Confident87.2Confident117 Ų11752.2 Ų52.263%0.62630%0.302SS*.G310 helixtrans-65.5-17.3-178.9-56.8-32.3000113.3P261 G265 H323P261-D263 PolarHBondContact O-N 3.32Å; D263-G265 VanDerWaalsContact C-N 3.34Å; D263-H323 IonicContact OD1-CD2 2.88Å; D263-H323 IonicContact OD1-CE1 2.75Å; D263-H323 IonicContact OD1-NE2 2.63Å; D263-H323 PolarHBondContact OD1-NE2 2.86Å
264S83.3Confident87.3Confident62 Ų6248.7 Ų48.743%0.43428%0.284SS..G310 helixtrans-74.4-18.8177.3-64.90000114P261 A262 E266P261-S264 WeakPolarHBondContact O-CB 3.36Å; P261-S264 PolarHBondContact O-N 2.97Å; P261-S264 VanDerWaalsContact O-N 3.15Å; A262-S264 PolarHBondContact O-N 3.3Å; A262-S264 VanDerWaalsContact O-N 3.16Å; S264-E266 PolarHBondContact O-N 3.03Å
265G83.1Confident87.6Confident44 Ų4450.7 Ų50.745%0.45429%0.294SS..SBendtrans69.7-24.7-176.400000115.7A262 D263 K267A262-G265 PolarHBondContact O-N 2.98Å; D263-G265 VanDerWaalsContact C-N 3.34Å; G265-K267 PolarHBondContact O-N 2.93Å
266E87.5Confident87.9Confident115 Ų11556.1 Ų56.154%0.53732%0.323SS..Hα-helixtrans-75.5-4.6-177.3-64.6-54.1137.600114.8L260 S264 V268 S269 L270L260-E266 HydrophobicContact CD2-CB 4.01Å; S264-E266 PolarHBondContact O-N 3.03Å; E266-V268 PolarHBondContact O-N 3.38Å; E266-S269 WeakPolarHBondContact O-CB 3.44Å; E266-S269 PolarHBondContact O-N 3.07Å; E266-S269 WeakPolarHBondContact OE2-CB 3.37Å; E266-S269 PolarHBondContact OE2-OG 3.4Å; E266-L270 PolarHBondContact O-N 2.93Å
267K88.4Confident88.2Confident0 Ų053.7 Ų53.70%031%0.314CS..Hα-helixtrans-60.7-44.4-175.3-177.5171.7-178.2-176.90113.3A257 L260 G265 G271 M320 D427A257-K267 VanDerWaalsContact O-CE 3.3Å; A257-K267 WeakPolarHBondContact O-CE 3.46Å; A257-K267 WeakPolarHBondContact O-CG 3.21Å; L260-K267 HydrophobicContact CD2-CB 4.36Å; G265-K267 PolarHBondContact O-N 2.93Å; K267-G271 PolarHBondContact O-N 3.05Å; K267-M320 HydrophobicContact CD-CG 4.43Å; K267-M320 HydrophobicContact CD-SD 4.04Å; K267-D427 IonicContact NZ-OD1 3.24Å; K267-D427 PolarHBondContact NZ-OD1 3.46Å; K267-D427 IonicContact NZ-OD2 2.91Å; K267-D427 PolarHBondContact NZ-OD2 3.23Å
268V89.4Confident88.5Confident44 Ų4453.6 Ų53.627%0.26731%0.314SS..Hα-helixtrans-74.3-37.9178.1179.90000110.3E266 L270 G271 V272 I317 M320E266-V268 PolarHBondContact O-N 3.38Å; V268-L270 VanDerWaalsContact C-N 3.34Å; V268-L270 PolarHBondContact O-N 3Å; V268-G271 PolarHBondContact O-N 3.31Å; V268-V272 HydrophobicContact CG1-CG2 4.29Å; V268-V272 WeakPolarHBondContact O-CG2 3.44Å; V268-V272 PolarHBondContact O-N 3.36Å; V268-I317 HydrophobicContact CG1-CD1 4.44Å; V268-I317 HydrophobicContact CG1-CG1 4.12Å; V268-I317 HydrophobicContact CG2-CG1 4.14Å; V268-M320 HydrophobicContact CG2-CG 4.22Å
269S90.8Very high88.7Confident53 Ų5356.5 Ų56.537%0.37133%0.332SS..Hα-helixtrans-56.7-45.4176-173.80000111.6E266 G271 V272 T273E266-S269 WeakPolarHBondContact O-CB 3.44Å; E266-S269 PolarHBondContact O-N 3.07Å; E266-S269 WeakPolarHBondContact OE2-CB 3.37Å; E266-S269 PolarHBondContact OE2-OG 3.4Å; S269-G271 PolarHBondContact O-N 3.06Å; S269-V272 PolarHBondContact O-N 3Å; S269-T273 WeakPolarHBondContact O-CB 3.22Å; S269-T273 VanDerWaalsContact O-CG2 3.28Å; S269-T273 WeakPolarHBondContact O-CG2 3.26Å; S269-T273 PolarHBondContact O-N 2.93Å; S269-T273 PolarHBondContact O-OG1 3.5Å
270L91.1Very high88.9Confident55 Ų5554.2 Ų54.229%0.28833%0.327SS..Hα-helixtrans-61.1-44.2175.9-176.564.9000112.6A257 E266 V268 T273 V274A257-L270 HydrophobicContact CB-CD2 3.98Å; A257-L270 HydrophobicContact CB-CG 4.49Å; E266-L270 PolarHBondContact O-N 2.93Å; V268-L270 VanDerWaalsContact C-N 3.34Å; V268-L270 PolarHBondContact O-N 3Å; L270-T273 WeakPolarHBondContact CA-OG1 3.13Å; L270-T273 PolarHBondContact O-OG1 3.45Å; L270-V274 HydrophobicContact CD1-CG2 4.39Å; L270-V274 WeakPolarHBondContact O-CB 3.49Å; L270-V274 VanDerWaalsContact O-CG2 3.25Å; L270-V274 WeakPolarHBondContact O-CG2 3.47Å; L270-V274 PolarHBondContact O-N 2.79Å
271G89.6Confident89Confident5 Ų553.9 Ų53.95%0.05232%0.324CS..Hα-helixtrans-62.8-44.4178.200000112.9K267 V268 S269 L275K267-G271 PolarHBondContact O-N 3.05Å; V268-G271 PolarHBondContact O-N 3.31Å; S269-G271 PolarHBondContact O-N 3.06Å; G271-L275 PolarHBondContact O-N 3.48Å
272V91.8Very high89.2Confident78 Ų7853 Ų5347%0.47331%0.314SS..Hα-helixtrans-67.6-41.8178.8175.10000111.8V268 S269 L275 L276 T313V268-V272 HydrophobicContact CG1-CG2 4.29Å; V268-V272 WeakPolarHBondContact O-CG2 3.44Å; V268-V272 PolarHBondContact O-N 3.36Å; S269-V272 PolarHBondContact O-N 3Å; V272-L275 PolarHBondContact O-N 3.21Å; V272-L276 WeakPolarHBondContact O-CB 3.19Å; V272-L276 PolarHBondContact O-N 3.26Å; V272-T313 HydrophobicContact CG2-CG2 4.37Å
273T92.7Very high89.6Confident72 Ų7257.5 Ų57.544%0.44234%0.336SS..Hα-helixtrans-65.4-39.7178.249.50000112.2S269 L270 L276 A277S269-T273 WeakPolarHBondContact O-CB 3.22Å; S269-T273 VanDerWaalsContact O-CG2 3.28Å; S269-T273 WeakPolarHBondContact O-CG2 3.26Å; S269-T273 PolarHBondContact O-N 2.93Å; S269-T273 PolarHBondContact O-OG1 3.5Å; L270-T273 WeakPolarHBondContact CA-OG1 3.13Å; L270-T273 PolarHBondContact O-OG1 3.45Å; T273-L276 PolarHBondContact O-N 2.86Å; T273-A277 WeakPolarHBondContact O-CB 3.48Å; T273-A277 PolarHBondContact O-N 3.32Å
274V92.3Very high89.9Confident8 Ų856.3 Ų56.35%0.04833%0.329CS..Hα-helixtrans-62.4-44.1173167.10000111.5I250 L253 A254 L270 L276 A277 L278 V309I250-V274 HydrophobicContact CG2-CB 4.48Å; I250-V274 HydrophobicContact CG2-CG1 3.73Å; L253-V274 HydrophobicContact CB-CG2 4.43Å; A254-V274 HydrophobicContact CB-CG1 3.98Å; L270-V274 HydrophobicContact CD1-CG2 4.39Å; L270-V274 WeakPolarHBondContact O-CB 3.49Å; L270-V274 VanDerWaalsContact O-CG2 3.25Å; L270-V274 WeakPolarHBondContact O-CG2 3.47Å; L270-V274 PolarHBondContact O-N 2.79Å; V274-L276 PolarHBondContact O-N 3.04Å; V274-A277 PolarHBondContact O-N 3.41Å; V274-L278 HydrophobicContact CG1-CD1 4.19Å; V274-L278 WeakPolarHBondContact O-CG 3.5Å; V274-L278 PolarHBondContact O-N 3.03Å; V274-V309 HydrophobicContact CG1-CG1 4.05Å; V274-V309 HydrophobicContact CG1-CG2 4.28Å
275L91.8Very high90.1Very high46 Ų4653.8 Ų53.824%0.24131%0.31CS..Hα-helixtrans-62.1-43.4176.8-17663.8000112G271 V272 L278 T279 V309G271-L275 PolarHBondContact O-N 3.48Å; V272-L275 PolarHBondContact O-N 3.21Å; L275-L278 PolarHBondContact O-N 3.43Å; L275-T279 PolarHBondContact O-N 2.92Å; L275-T279 PolarHBondContact O-OG1 2.86Å; L275-V309 HydrophobicContact CB-CG1 4Å; L275-V309 HydrophobicContact CD1-CG1 4.18Å
276L93.3Very high90.2Very high114 Ų11454.7 Ų54.760%0.59731%0.314SS*.Hα-helixtrans-63-45.5176.8-176.865.4000111.2V272 T273 V274 L278 T279 V280V272-L276 WeakPolarHBondContact O-CB 3.19Å; V272-L276 PolarHBondContact O-N 3.26Å; T273-L276 PolarHBondContact O-N 2.86Å; V274-L276 PolarHBondContact O-N 3.04Å; L276-L278 PolarHBondContact O-N 3.25Å; L276-T279 WeakPolarHBondContact O-CA 3.41Å; L276-T279 WeakPolarHBondContact O-CB 3.45Å; L276-T279 PolarHBondContact O-N 2.84Å; L276-T279 VanDerWaalsContact O-N 3.09Å; L276-V280 WeakPolarHBondContact O-CG2 3.43Å; L276-V280 PolarHBondContact O-N 2.94Å
277A93Very high90.2Very high32 Ų3255.2 Ų55.226%0.26432%0.316SS..Hα-helixtrans-59.4-46.3177.800000111.7I250 T273 V274 T279 V280 F281I250-A277 HydrophobicContact CD1-CB 4.27Å; T273-A277 WeakPolarHBondContact O-CB 3.48Å; T273-A277 PolarHBondContact O-N 3.32Å; V274-A277 PolarHBondContact O-N 3.41Å; A277-T279 VanDerWaalsContact C-N 3.26Å; A277-T279 PolarHBondContact O-N 3.2Å; A277-V280 PolarHBondContact O-N 3.12Å; A277-F281 WeakPolarHBondContact O-CD2 3.4Å; A277-F281 PolarHBondContact O-N 3.09Å; A277-F281 VanDerWaalsContact O-N 3.09Å
278L90.5Very high90Very high1 Ų157.9 Ų57.91%0.00534%0.335CS..Hα-helixtrans-60.7-35.8174.7-71.1171.2000112.2I250 V274 L275 L276 F281 Q282 T305 M306 V309I250-L278 HydrophobicContact CB-CD2 4.49Å; I250-L278 HydrophobicContact CG2-CD1 4.46Å; I250-L278 HydrophobicContact CG2-CD2 3.92Å; I250-L278 HydrophobicContact CG2-CG 3.87Å; V274-L278 HydrophobicContact CG1-CD1 4.19Å; V274-L278 WeakPolarHBondContact O-CG 3.5Å; V274-L278 PolarHBondContact O-N 3.03Å; L275-L278 PolarHBondContact O-N 3.43Å; L276-L278 PolarHBondContact O-N 3.25Å; L278-F281 PolarHBondContact O-N 3.37Å; L278-Q282 WeakPolarHBondContact O-CB 3.44Å; L278-Q282 PolarHBondContact O-N 2.79Å; L278-T305 HydrophobicContact CD1-CG2 3.8Å; L278-T305 HydrophobicContact CD2-CG2 4.32Å; L278-M306 VanDerWaalsContact C-CE 3.42Å; L278-M306 HydrophobicContact CB-CE 4.22Å; L278-M306 HydrophobicContact CB-CG 4.29Å; L278-M306 VanDerWaalsContact O-CE 3.26Å; L278-M306 WeakPolarHBondContact O-CE 3.46Å; L278-V309 HydrophobicContact CD1-CB 4.41Å; L278-V309 HydrophobicContact CD1-CG2 3.77Å
279T91.6Very high89.8Confident66 Ų6656.6 Ų56.641%0.40533%0.326SS..Hα-helixtrans-65.7-41.3176.9-53.20000112.2L275 L276 A277 Q282 L283 M306L275-T279 PolarHBondContact O-N 2.92Å; L275-T279 PolarHBondContact O-OG1 2.86Å; L276-T279 WeakPolarHBondContact O-CA 3.41Å; L276-T279 WeakPolarHBondContact O-CB 3.45Å; L276-T279 PolarHBondContact O-N 2.84Å; L276-T279 VanDerWaalsContact O-N 3.09Å; A277-T279 VanDerWaalsContact C-N 3.26Å; A277-T279 PolarHBondContact O-N 3.2Å; T279-Q282 PolarHBondContact O-N 2.92Å; T279-L283 WeakPolarHBondContact O-CB 3.49Å; T279-L283 PolarHBondContact O-N 2.92Å; T279-M306 HydrophobicContact CG2-CE 4.47Å
280V92.3Very high89.6Confident90 Ų9054.5 Ų54.555%0.54531%0.312SS..Hα-helixtrans-63.4-45.8175.2174.30000111L276 A277 Q282 L283 L284L276-V280 WeakPolarHBondContact O-CG2 3.43Å; L276-V280 PolarHBondContact O-N 2.94Å; A277-V280 PolarHBondContact O-N 3.12Å; V280-Q282 PolarHBondContact O-N 3.3Å; V280-L283 PolarHBondContact O-N 2.96Å; V280-L284 PolarHBondContact O-N 3.36Å
281F89.1Confident88.9Confident50 Ų5058 Ų5822%0.21934%0.338CS..Hα-helixtrans-64-39.1177.7-79.6-68.8000112.8P246 I250 A277 L278 L284 L285 Y302P246-F281 HydrophobicContact CB-CZ 4.11Å; I250-F281 HydrophobicContact CD1-CD2 3.97Å; I250-F281 HydrophobicContact CD1-CE2 3.5Å; I250-F281 HydrophobicContact CD1-CZ 4.49Å; A277-F281 WeakPolarHBondContact O-CD2 3.4Å; A277-F281 PolarHBondContact O-N 3.09Å; A277-F281 VanDerWaalsContact O-N 3.09Å; L278-F281 PolarHBondContact O-N 3.37Å; F281-L284 PolarHBondContact O-N 3.46Å; F281-L285 PolarHBondContact O-N 2.89Å; F281-L285 VanDerWaalsContact O-N 3.09Å; F281-Y302 HydrophobicContact CB-CE1 3.94Å
282Q88.8Confident88Confident54 Ų5459.9 Ų59.925%0.25235%0.352SS..Hα-helixtrans-65.3-39.1174.8176.8172-34.300112L278 T279 V280 L285 A286 M303 M306L278-Q282 WeakPolarHBondContact O-CB 3.44Å; L278-Q282 PolarHBondContact O-N 2.79Å; T279-Q282 PolarHBondContact O-N 2.92Å; V280-Q282 PolarHBondContact O-N 3.3Å; Q282-L285 WeakPolarHBondContact O-CB 3.38Å; Q282-L285 PolarHBondContact O-N 2.87Å; Q282-A286 WeakPolarHBondContact O-CB 3.45Å; Q282-A286 PolarHBondContact O-N 3.47Å; Q282-M303 PolarHBondContact NE2-SD 3.44Å; Q282-M306 HydrophobicContact CB-CE 3.57Å; Q282-M306 HydrophobicContact CG-CE 4.18Å; Q282-M306 PolarHBondContact OE1-SD 3.08Å
283L89.6Confident86.8Confident101 Ų10166.3 Ų66.353%0.52938%0.377SS..Hα-helixtrans-64-45.1176.9-177.663.7000111.1T279 V280 L285 A286 E287T279-L283 WeakPolarHBondContact O-CB 3.49Å; T279-L283 PolarHBondContact O-N 2.92Å; V280-L283 PolarHBondContact O-N 2.96Å; L283-L285 VanDerWaalsContact C-N 3.26Å; L283-L285 PolarHBondContact O-N 3.46Å; L283-A286 PolarHBondContact O-N 3.42Å; L283-A286 VanDerWaalsContact O-N 3.08Å; L283-E287 HydrophobicContact CD1-CG 4.34Å; L283-E287 HydrophobicContact CG-CG 4.5Å; L283-E287 WeakPolarHBondContact O-CG 3.48Å; L283-E287 PolarHBondContact O-N 2.94Å
284L88.6Confident85.9Confident92 Ų9265.1 Ų65.148%0.48237%0.372SS..Hα-helixtrans-56.4-41.2175.3-17768.9000112L243 V280 F281 S288L243-L284 HydrophobicContact CD2-CD2 4.14Å; V280-L284 PolarHBondContact O-N 3.36Å; F281-L284 PolarHBondContact O-N 3.46Å; L284-S288 PolarHBondContact O-N 3.46Å; L284-S288 PolarHBondContact O-OG 3.09Å
285L87.3Confident85.4Confident9 Ų968.8 Ų68.85%0.04739%0.394CS..Hα-helixtrans-65.6-43.7174.5-171.877.6000112.3F161 L243 F281 Q282 L283 E287 S288 M289 I298 Y302F161-L285 HydrophobicContact CE1-CD1 4.17Å; L243-L285 HydrophobicContact CD1-CD1 4.49Å; F281-L285 PolarHBondContact O-N 2.89Å; F281-L285 VanDerWaalsContact O-N 3.09Å; Q282-L285 WeakPolarHBondContact O-CB 3.38Å; Q282-L285 PolarHBondContact O-N 2.87Å; L283-L285 VanDerWaalsContact C-N 3.26Å; L283-L285 PolarHBondContact O-N 3.46Å; L285-E287 VanDerWaalsContact C-N 3.32Å; L285-E287 PolarHBondContact O-N 3.49Å; L285-S288 PolarHBondContact O-N 3.25Å; L285-S288 PolarHBondContact O-OG 2.95Å; L285-M289 HydrophobicContact CD1-CE 3.31Å; L285-M289 HydrophobicContact CD1-SD 4.12Å; L285-M289 HydrophobicContact CG-CE 3.89Å; L285-M289 HydrophobicContact CG-SD 4.03Å; L285-M289 WeakPolarHBondContact O-CG 3.47Å; L285-M289 PolarHBondContact O-N 3.34Å; L285-I298 HydrophobicContact CD1-CG2 4Å; L285-I298 HydrophobicContact CD2-CG1 4.39Å; L285-I298 HydrophobicContact CD2-CG2 3.69Å; L285-I298 HydrophobicContact CG-CG2 4.44Å; L285-Y302 HydrophobicContact CD2-CD2 3.74Å; L285-Y302 HydrophobicContact CD2-CE2 3.84Å
286A86Confident85.2Confident64 Ų6467.4 Ų67.453%0.52939%0.388SS..Hα-helixtrans-67.3-32.5-179.400000112.7Q282 L283Q282-A286 WeakPolarHBondContact O-CB 3.45Å; Q282-A286 PolarHBondContact O-N 3.47Å; L283-A286 PolarHBondContact O-N 3.42Å; L283-A286 VanDerWaalsContact O-N 3.08Å
287E87.4Confident84.8Confident125 Ų12564.3 Ų64.358%0.58437%0.372SS*.Hα-helixtrans-74.9-25177.7-73-173.616900113.3L283 L285L283-E287 HydrophobicContact CD1-CG 4.34Å; L283-E287 HydrophobicContact CG-CG 4.5Å; L283-E287 WeakPolarHBondContact O-CG 3.48Å; L283-E287 PolarHBondContact O-N 2.94Å; L285-E287 VanDerWaalsContact C-N 3.32Å; L285-E287 PolarHBondContact O-N 3.49Å
288S83.3Confident84.5Confident57 Ų5763.3 Ų63.340%0.39936%0.362SS..Hα-helixtrans-87.8-9.6-178.9470000114L284 L285L284-S288 PolarHBondContact O-N 3.46Å; L284-S288 PolarHBondContact O-OG 3.09Å; L285-S288 PolarHBondContact O-N 3.25Å; L285-S288 PolarHBondContact O-OG 2.95Å
289M85.8Confident84.4Confident16 Ų1663.8 Ų63.88%0.07937%0.367CS..SBendtrans-116.2152.3-174.5-67.3179.9179.600112.1F161 L285 P296 I298F161-M289 HydrophobicContact CB-CE 4.13Å; F161-M289 HydrophobicContact CD1-CE 3.16Å; F161-M289 HydrophobicContact CD2-CE 3.68Å; F161-M289 HydrophobicContact CE1-CE 3.25Å; F161-M289 HydrophobicContact CE2-CE 3.75Å; F161-M289 HydrophobicContact CG-CE 3.37Å; F161-M289 HydrophobicContact CZ-CE 3.53Å; L285-M289 HydrophobicContact CD1-CE 3.31Å; L285-M289 HydrophobicContact CD1-SD 4.12Å; L285-M289 HydrophobicContact CG-CE 3.89Å; L285-M289 HydrophobicContact CG-SD 4.03Å; L285-M289 WeakPolarHBondContact O-CG 3.47Å; L285-M289 PolarHBondContact O-N 3.34Å; M289-P296 HydrophobicContact SD-CB 4.31Å; M289-P296 HydrophobicContact SD-CG 3.68Å; M289-I298 HydrophobicContact CE-CG2 4.33Å
290P85.7Confident84.2Confident10 Ų1066.3 Ų66.37%0.06537%0.372CS..  trans-67.1155.8172.226.4-30.9000110.9E71 Q74 V158 A292E71-P290 WeakPolarHBondContact O-CB 3.39Å; E71-P290 VanDerWaalsContact O-CD 3.26Å; E71-P290 WeakPolarHBondContact O-CD 3.47Å; E71-P290 WeakPolarHBondContact O-CG 3.38Å; Q74-P290 HydrophobicContact CG-CB 4.21Å; V158-P290 HydrophobicContact CG1-CG 4.27Å; P290-A292 VanDerWaalsContact C-N 3.32Å; P290-A292 PolarHBondContact O-N 3.43Å
291P77.5Confident84Confident128 Ų12862.3 Ų62.383%0.83135%0.348SS*.  trans-64.795.3163.128.7-32000108.7
292A69.9Low84Confident44 Ų4460 Ų6036%0.36434%0.337SS..  trans-93152.7-177.500000112V158 P290 S294V158-A292 HydrophobicContact CG2-CB 3.54Å; P290-A292 VanDerWaalsContact C-N 3.32Å; P290-A292 PolarHBondContact O-N 3.43Å; A292-S294 PolarHBondContact O-N 3.09Å
293E66.7Low84Confident213 Ų21362.1 Ų62.1100%0.99535%0.349SS*.SBendtrans-64.6-28.1171.8-65.3-173.9169.400112.1
294S74.1Confident84Confident48 Ų4859 Ų5934%0.33634%0.337SS..SBendtrans-112.7132-179.961.10000112.2A292 P296A292-S294 PolarHBondContact O-N 3.09Å; S294-P296 WeakPolarHBondContact O-CD 3.42Å
295V81.6Confident84.1Confident84 Ų8454.9 Ų54.951%0.50932%0.316SS..  trans-69.7126174.9-174.80000110.3K300V295-K300 HydrophobicContact CB-CG 4.39Å; V295-K300 HydrophobicContact CG1-CG 3.97Å; V295-K300 VanDerWaalsContact O-CE 3.26Å; V295-K300 WeakPolarHBondContact O-CE 3Å; V295-K300 PolarHBondContact O-NZ 3.02Å
296P87.6Confident84.2Confident18 Ų1855.6 Ų55.612%0.11732%0.32CS..  trans-55.6148.8175.9-24.932.4000113V158 M289 S294 I298 G299 K300V158-P296 HydrophobicContact CB-CG 4.25Å; V158-P296 HydrophobicContact CG2-CG 3.9Å; V158-P296 WeakPolarHBondContact O-CA 3.47Å; V158-P296 WeakPolarHBondContact O-CB 3.25Å; M289-P296 HydrophobicContact SD-CB 4.31Å; M289-P296 HydrophobicContact SD-CG 3.68Å; S294-P296 WeakPolarHBondContact O-CD 3.42Å; P296-I298 VanDerWaalsContact C-N 3.3Å; P296-I298 HydrophobicContact CB-CG2 3.97Å; P296-I298 PolarHBondContact O-N 2.94Å; P296-G299 WeakPolarHBondContact O-CA 3.39Å; P296-G299 PolarHBondContact O-N 3.24Å; P296-K300 PolarHBondContact O-N 2.99Å
297L84.9Confident84.5Confident49 Ų4956.8 Ų56.826%0.25732%0.32SS..Hα-helixtrans-54-47.1175.4-17670.8000112A159 G299 K300 Y301 Q448A159-L297 WeakPolarHBondContact O-CB 3.45Å; A159-L297 PolarHBondContact O-N 3.04Å; L297-G299 VanDerWaalsContact C-N 3.28Å; L297-G299 PolarHBondContact O-N 3.35Å; L297-K300 WeakPolarHBondContact O-CB 3.43Å; L297-K300 PolarHBondContact O-N 3.09Å; L297-Y301 PolarHBondContact O-N 3.46Å; L297-Y301 VanDerWaalsContact O-N 3.14Å; L297-Q448 HydrophobicContact CD2-CB 4.25Å
298I86.3Confident84.6Confident10 Ų1051.8 Ų51.85%0.05130%0.297CS..Hα-helixtrans-60.7-37.4175.9-16979000111.6F161 L244 L285 M289 P296 Y301 Y302F161-I298 HydrophobicContact CD1-CG2 3.75Å; F161-I298 HydrophobicContact CE1-CG2 4.42Å; L244-I298 HydrophobicContact CD1-CD1 3.65Å; L285-I298 HydrophobicContact CD1-CG2 4Å; L285-I298 HydrophobicContact CD2-CG1 4.39Å; L285-I298 HydrophobicContact CD2-CG2 3.69Å; L285-I298 HydrophobicContact CG-CG2 4.44Å; M289-I298 HydrophobicContact CE-CG2 4.33Å; P296-I298 VanDerWaalsContact C-N 3.3Å; P296-I298 HydrophobicContact CB-CG2 3.97Å; P296-I298 PolarHBondContact O-N 2.94Å; I298-Y301 WeakPolarHBondContact O-CB 3.08Å; I298-Y301 PolarHBondContact O-N 2.9Å; I298-Y302 HydrophobicContact CD1-CE2 4.24Å; I298-Y302 HydrophobicContact CG1-CD2 4.03Å; I298-Y302 HydrophobicContact CG1-CE2 3.6Å; I298-Y302 WeakPolarHBondContact O-CD2 3.19Å; I298-Y302 PolarHBondContact O-N 3.4Å
299G87.7Confident85Confident11 Ų1149.1 Ų49.111%0.11328%0.278CS..Hα-helixtrans-65.2-40.4176.600000112.3P296 L297 Y301 Y302 M303P296-G299 WeakPolarHBondContact O-CA 3.39Å; P296-G299 PolarHBondContact O-N 3.24Å; L297-G299 VanDerWaalsContact C-N 3.28Å; L297-G299 PolarHBondContact O-N 3.35Å; G299-Y301 VanDerWaalsContact C-N 3.29Å; G299-Y301 PolarHBondContact O-N 3.28Å; G299-Y302 PolarHBondContact O-N 3.08Å; G299-M303 WeakPolarHBondContact O-CG 3.32Å; G299-M303 PolarHBondContact O-N 3.21Å
300K87.4Confident85.3Confident119 Ų11951.8 Ų51.852%0.51730%0.295SS..Hα-helixtrans-60.6-40.2173.5-66.3169.8-176.5160.90111.4V295 P296 L297 A304V295-K300 HydrophobicContact CB-CG 4.39Å; V295-K300 HydrophobicContact CG1-CG 3.97Å; V295-K300 VanDerWaalsContact O-CE 3.26Å; V295-K300 WeakPolarHBondContact O-CE 3Å; V295-K300 PolarHBondContact O-NZ 3.02Å; P296-K300 PolarHBondContact O-N 2.99Å; L297-K300 WeakPolarHBondContact O-CB 3.43Å; L297-K300 PolarHBondContact O-N 3.09Å; K300-A304 WeakPolarHBondContact O-CB 3.33Å; K300-A304 PolarHBondContact O-N 3.04Å
301Y88.7Confident85.6Confident6 Ų657.2 Ų57.22%0.02432%0.318CS..Hα-helixtrans-63.5-45.9175.5171.6-103.4000112.6C247 S251 L297 I298 G299 M303 A304 T305 M441 V445C247-Y301 HydrophobicContact CB-CE1 4.44Å; S251-Y301 PolarHBondContact OG-OH 2.93Å; L297-Y301 PolarHBondContact O-N 3.46Å; L297-Y301 VanDerWaalsContact O-N 3.14Å; I298-Y301 WeakPolarHBondContact O-CB 3.08Å; I298-Y301 PolarHBondContact O-N 2.9Å; G299-Y301 VanDerWaalsContact C-N 3.29Å; G299-Y301 PolarHBondContact O-N 3.28Å; Y301-M303 PolarHBondContact O-N 3.21Å; Y301-A304 PolarHBondContact O-N 3.29Å; Y301-T305 WeakPolarHBondContact O-CB 3.22Å; Y301-T305 PolarHBondContact O-N 3.19Å; Y301-T305 PolarHBondContact O-OG1 3.27Å; Y301-M441 HydrophobicContact CD2-CE 4.4Å; Y301-M441 HydrophobicContact CE2-CB 4.28Å; Y301-V445 HydrophobicContact CD2-CB 4.45Å; Y301-V445 HydrophobicContact CD2-CG2 3.5Å; Y301-V445 HydrophobicContact CE2-CG2 4.17Å; Y301-V445 HydrophobicContact CG-CG2 3.86Å
302Y89.3Confident86.3Confident1 Ų151.3 Ų51.30%0.00428%0.28CS..Hα-helixtrans-59.7-47.3175.9-80.1-68.6000112.2C247 F281 L285 I298 G299 A304 T305 M306C247-Y302 HydrophobicContact CB-CE1 3.9Å; C247-Y302 WeakPolarHBondContact SG-CE1 3.48Å; C247-Y302 VanDerWaalsContact SG-CZ 3.53Å; C247-Y302 PolarHBondContact SG-OH 3.37Å; F281-Y302 HydrophobicContact CB-CE1 3.94Å; L285-Y302 HydrophobicContact CD2-CD2 3.74Å; L285-Y302 HydrophobicContact CD2-CE2 3.84Å; I298-Y302 HydrophobicContact CD1-CE2 4.24Å; I298-Y302 HydrophobicContact CG1-CD2 4.03Å; I298-Y302 HydrophobicContact CG1-CE2 3.6Å; I298-Y302 WeakPolarHBondContact O-CD2 3.19Å; I298-Y302 PolarHBondContact O-N 3.4Å; G299-Y302 PolarHBondContact O-N 3.08Å; Y302-A304 PolarHBondContact O-N 2.88Å; Y302-T305 PolarHBondContact O-N 2.85Å; Y302-M306 WeakPolarHBondContact O-CB 3.05Å; Y302-M306 WeakPolarHBondContact O-CG 3.4Å; Y302-M306 PolarHBondContact O-N 2.88Å
303M88.8Confident87.2Confident99 Ų9949.8 Ų49.849%0.48827%0.266SS..Hα-helixtrans-61-42.7178.4-70.6-63.5-65.200112.2Q282 G299 Y301 T307Q282-M303 PolarHBondContact NE2-SD 3.44Å; G299-M303 WeakPolarHBondContact O-CG 3.32Å; G299-M303 PolarHBondContact O-N 3.21Å; Y301-M303 PolarHBondContact O-N 3.21Å; M303-T307 WeakPolarHBondContact O-CG2 3.2Å; M303-T307 PolarHBondContact O-N 3.02Å; M303-T307 PolarHBondContact O-OG1 2.84Å
304A89.7Confident88.4Confident35 Ų3542.2 Ų42.229%0.28924%0.24SC..Hα-helixtrans-65-39.9175.600000112.1K300 Y301 Y302 T307 M308 M441K300-A304 WeakPolarHBondContact O-CB 3.33Å; K300-A304 PolarHBondContact O-N 3.04Å; Y301-A304 PolarHBondContact O-N 3.29Å; Y302-A304 PolarHBondContact O-N 2.88Å; A304-T307 WeakPolarHBondContact CA-OG1 3.31Å; A304-T307 PolarHBondContact O-OG1 3.15Å; A304-M308 WeakPolarHBondContact O-CB 3.48Å; A304-M308 PolarHBondContact O-N 2.86Å; A304-M441 HydrophobicContact CB-CE 3.73Å
305T89.9Confident89.2Confident6 Ų640.9 Ų40.94%0.03723%0.229CC..Hα-helixtrans-69.4-42.4179.2-53.90000111.2L278 Y301 Y302 M308 V309L278-T305 HydrophobicContact CD1-CG2 3.8Å; L278-T305 HydrophobicContact CD2-CG2 4.32Å; Y301-T305 WeakPolarHBondContact O-CB 3.22Å; Y301-T305 PolarHBondContact O-N 3.19Å; Y301-T305 PolarHBondContact O-OG1 3.27Å; Y302-T305 PolarHBondContact O-N 2.85Å; T305-M308 HydrophobicContact CG2-CE 4.28Å; T305-M308 PolarHBondContact O-N 2.9Å; T305-V309 HydrophobicContact CG2-CG2 4.31Å; T305-V309 WeakPolarHBondContact O-CB 3.32Å; T305-V309 WeakPolarHBondContact O-CG2 3.47Å; T305-V309 PolarHBondContact O-N 3Å
306M91.1Very high89.6Confident25 Ų2537 Ų3712%0.12321%0.205CC..Hα-helixtrans-61.7-45.1175.8-79.4-167.9-17900113.1L278 T279 Q282 Y302 M308 V309 T310L278-M306 VanDerWaalsContact C-CE 3.42Å; L278-M306 HydrophobicContact CB-CE 4.22Å; L278-M306 HydrophobicContact CB-CG 4.29Å; L278-M306 VanDerWaalsContact O-CE 3.26Å; L278-M306 WeakPolarHBondContact O-CE 3.46Å; T279-M306 HydrophobicContact CG2-CE 4.47Å; Q282-M306 HydrophobicContact CB-CE 3.57Å; Q282-M306 HydrophobicContact CG-CE 4.18Å; Q282-M306 PolarHBondContact OE1-SD 3.08Å; Y302-M306 WeakPolarHBondContact O-CB 3.05Å; Y302-M306 WeakPolarHBondContact O-CG 3.4Å; Y302-M306 PolarHBondContact O-N 2.88Å; M306-M308 VanDerWaalsContact C-N 3.32Å; M306-M308 PolarHBondContact O-N 3.02Å; M306-V309 PolarHBondContact O-N 2.03Å; M306-T310 VanDerWaalsContact O-CB 3.31Å; M306-T310 WeakPolarHBondContact O-CB 3.48Å; M306-T310 PolarHBondContact O-N 2.94Å; M306-T310 PolarHBondContact O-OG1 3.12Å
307T91.1Very high89.7Confident88 Ų8840.3 Ų40.354%0.5422%0.222SC..Hα-helixtrans-62.7-41.7177.548.60000111M303 A304 T310 F311M303-T307 WeakPolarHBondContact O-CG2 3.2Å; M303-T307 PolarHBondContact O-N 3.02Å; M303-T307 PolarHBondContact O-OG1 2.84Å; A304-T307 WeakPolarHBondContact CA-OG1 3.31Å; A304-T307 PolarHBondContact O-OG1 3.15Å; T307-T310 PolarHBondContact O-N 2.77Å; T307-F311 WeakPolarHBondContact O-CB 3.38Å; T307-F311 PolarHBondContact O-N 3.35Å
308M90.5Very high89.8Confident21 Ų2142.1 Ų42.110%0.10323%0.231CC..Hα-helixtrans-60.6-49.3173.7-178.8-83.8-71.200112.4A304 T305 M306 T310 F311 S312 F434 A438A304-M308 WeakPolarHBondContact O-CB 3.48Å; A304-M308 PolarHBondContact O-N 2.86Å; T305-M308 HydrophobicContact CG2-CE 4.28Å; T305-M308 PolarHBondContact O-N 2.9Å; M306-M308 VanDerWaalsContact C-N 3.32Å; M306-M308 PolarHBondContact O-N 3.02Å; M308-T310 VanDerWaalsContact C-N 3.34Å; M308-T310 PolarHBondContact O-N 2.85Å; M308-F311 PolarHBondContact O-N 3.08Å; M308-S312 VanDerWaalsContact O-CB 3.27Å; M308-S312 WeakPolarHBondContact O-CB 3.34Å; M308-S312 PolarHBondContact O-N 2.71Å; M308-F434 HydrophobicContact CG-CD1 3.75Å; M308-F434 HydrophobicContact CG-CE1 4.09Å; M308-F434 HydrophobicContact SD-CD1 3.74Å; M308-F434 HydrophobicContact SD-CE1 4.42Å; M308-A438 HydrophobicContact CE-CB 4.14Å
309V91Very high89.9Confident1 Ų141.7 Ų41.71%0.00623%0.229CC..Hα-helixtrans-64.9-37.9179.7171.30000111.6A254 V274 L275 L278 T305 M306 S312 T313A254-V309 HydrophobicContact CB-CG2 3.76Å; V274-V309 HydrophobicContact CG1-CG1 4.05Å; V274-V309 HydrophobicContact CG1-CG2 4.28Å; L275-V309 HydrophobicContact CB-CG1 4Å; L275-V309 HydrophobicContact CD1-CG1 4.18Å; L278-V309 HydrophobicContact CD1-CB 4.41Å; L278-V309 HydrophobicContact CD1-CG2 3.77Å; T305-V309 HydrophobicContact CG2-CG2 4.31Å; T305-V309 WeakPolarHBondContact O-CB 3.32Å; T305-V309 WeakPolarHBondContact O-CG2 3.47Å; T305-V309 PolarHBondContact O-N 3Å; M306-V309 PolarHBondContact O-N 2.03Å; V309-S312 PolarHBondContact O-N 3.47Å; V309-T313 WeakPolarHBondContact O-CB 3.13Å; V309-T313 PolarHBondContact O-N 2.83Å; V309-T313 PolarHBondContact O-OG1 2.73Å
310T92.2Very high89.8Confident71 Ų7142.3 Ų42.344%0.43623%0.229SC..Hα-helixtrans-64.3-46.8177-56.70000110.6M306 T307 M308 T313 A314M306-T310 VanDerWaalsContact O-CB 3.31Å; M306-T310 WeakPolarHBondContact O-CB 3.48Å; M306-T310 PolarHBondContact O-N 2.94Å; M306-T310 PolarHBondContact O-OG1 3.12Å; T307-T310 PolarHBondContact O-N 2.77Å; M308-T310 VanDerWaalsContact C-N 3.34Å; M308-T310 PolarHBondContact O-N 2.85Å; T310-T313 PolarHBondContact O-N 2.75Å; T310-A314 PolarHBondContact O-N 2.98Å
311F91.6Very high89.8Confident125 Ų12542 Ų4255%0.54823%0.233SC..Hα-helixtrans-65.8-41.7177.7-175.7-113.9000112T307 M308 T313 A314 L315 F434T307-F311 WeakPolarHBondContact O-CB 3.38Å; T307-F311 PolarHBondContact O-N 3.35Å; M308-F311 PolarHBondContact O-N 3.08Å; F311-T313 PolarHBondContact O-N 2.78Å; F311-A314 PolarHBondContact O-N 3.35Å; F311-L315 HydrophobicContact CD1-CD1 3.83Å; F311-L315 HydrophobicContact CE1-CD1 3.41Å; F311-L315 VanDerWaalsContact CE1-CD1 3.41Å; F311-L315 HydrophobicContact CE1-CG 4.4Å; F311-L315 HydrophobicContact CE2-CD1 4.38Å; F311-L315 HydrophobicContact CG-CD1 4.44Å; F311-L315 HydrophobicContact CZ-CD1 3.72Å; F311-L315 HydrophobicContact CZ-CG 4.29Å; F311-L315 WeakPolarHBondContact O-CG 3.32Å; F311-L315 PolarHBondContact O-N 3.49Å; F311-F434 AromaticContact CD1-CE1 3.92Å; F311-F434 HydrophobicContact CD1-CE1 3.92Å; F311-F434 AromaticContact CD1-CZ 3.54Å; F311-F434 HydrophobicContact CD1-CZ 3.54Å; F311-F434 AromaticContact CE1-CZ 3.93Å; F311-F434 HydrophobicContact CE1-CZ 3.93Å
312S91.4Very high89.5Confident3 Ų343.2 Ų43.22%0.02124%0.24CC..Hα-helixtrans-56.2-48.7171.8167.20000111.7F258 M308 V309 A314 L315 T316F258-S312 WeakPolarHBondContact CE2-OG 3.11Å; F258-S312 VanDerWaalsContact CZ-OG 3.28Å; F258-S312 WeakPolarHBondContact CZ-OG 3.43Å; M308-S312 VanDerWaalsContact O-CB 3.27Å; M308-S312 WeakPolarHBondContact O-CB 3.34Å; M308-S312 PolarHBondContact O-N 2.71Å; V309-S312 PolarHBondContact O-N 3.47Å; S312-A314 PolarHBondContact O-N 2.9Å; S312-L315 WeakPolarHBondContact O-CB 3.22Å; S312-L315 PolarHBondContact O-N 3.15Å; S312-T316 WeakPolarHBondContact O-CG2 3.4Å; S312-T316 PolarHBondContact O-N 3.4Å
313T90.8Very high89.3Confident12 Ų1243.8 Ų43.87%0.07424%0.242CC..Hα-helixtrans-66.5-37.3179.8-53.40000112.2V272 V309 T310 F311 L315 T316 I317V272-T313 HydrophobicContact CG2-CG2 4.37Å; V309-T313 WeakPolarHBondContact O-CB 3.13Å; V309-T313 PolarHBondContact O-N 2.83Å; V309-T313 PolarHBondContact O-OG1 2.73Å; T310-T313 PolarHBondContact O-N 2.75Å; F311-T313 PolarHBondContact O-N 2.78Å; T313-L315 VanDerWaalsContact C-N 3.33Å; T313-L315 PolarHBondContact O-N 3.36Å; T313-T316 WeakPolarHBondContact CA-OG1 3.45Å; T313-T316 PolarHBondContact O-N 3.25Å; T313-T316 PolarHBondContact O-OG1 3.26Å; T313-I317 HydrophobicContact CG2-CD1 4.42Å; T313-I317 VanDerWaalsContact O-CG1 3.32Å; T313-I317 WeakPolarHBondContact O-CG1 3.47Å; T313-I317 PolarHBondContact O-N 2.92Å
314A91.9Very high88.9Confident55 Ų5545.1 Ų45.146%0.45524%0.243SC..Hα-helixtrans-63.1-40.9173.500000111.7T310 F311 S312 I317 L318T310-A314 PolarHBondContact O-N 2.98Å; F311-A314 PolarHBondContact O-N 3.35Å; S312-A314 PolarHBondContact O-N 2.9Å; A314-I317 PolarHBondContact O-N 3.32Å; A314-L318 PolarHBondContact O-N 3.01Å
315L89.9Confident88.2Confident20 Ų2044.7 Ų44.711%0.10524%0.237CC..Hα-helixtrans-66.6-39174.3-77.4163.6000112.4F311 S312 T313 I317 L318 I319 F430 F434F311-L315 HydrophobicContact CD1-CD1 3.83Å; F311-L315 HydrophobicContact CE1-CD1 3.41Å; F311-L315 VanDerWaalsContact CE1-CD1 3.41Å; F311-L315 HydrophobicContact CE1-CG 4.4Å; F311-L315 HydrophobicContact CE2-CD1 4.38Å; F311-L315 HydrophobicContact CG-CD1 4.44Å; F311-L315 HydrophobicContact CZ-CD1 3.72Å; F311-L315 HydrophobicContact CZ-CG 4.29Å; F311-L315 WeakPolarHBondContact O-CG 3.32Å; F311-L315 PolarHBondContact O-N 3.49Å; S312-L315 WeakPolarHBondContact O-CB 3.22Å; S312-L315 PolarHBondContact O-N 3.15Å; T313-L315 VanDerWaalsContact C-N 3.33Å; T313-L315 PolarHBondContact O-N 3.36Å; L315-I317 VanDerWaalsContact C-N 3.33Å; L315-I317 PolarHBondContact O-N 2.92Å; L315-L318 HydrophobicContact CD2-CD2 4.49Å; L315-L318 WeakPolarHBondContact O-CB 3.38Å; L315-L318 PolarHBondContact O-N 2.85Å; L315-I319 VanDerWaalsContact O-CG1 3.27Å; L315-I319 WeakPolarHBondContact O-CG1 3.44Å; L315-I319 PolarHBondContact O-N 2.75Å; L315-F430 HydrophobicContact CD1-CD1 4.07Å; L315-F430 HydrophobicContact CD1-CE1 4.02Å; L315-F430 HydrophobicContact CD1-CZ 4.45Å; L315-F430 HydrophobicContact CD2-CE1 4.38Å; L315-F430 HydrophobicContact CD2-CE2 4.26Å; L315-F430 HydrophobicContact CD2-CZ 4.01Å; L315-F434 HydrophobicContact CD1-CE2 3.7Å; L315-F434 HydrophobicContact CD1-CZ 3.66Å
316T89Confident87Confident1 Ų146.3 Ų46.31%0.00626%0.255CS..Hα-helixtrans-63.5-40.3175.360.20000111.4F258 S312 T313 L318 I319 M320F258-T316 HydrophobicContact CD1-CG2 3.8Å; F258-T316 HydrophobicContact CE1-CG2 3.36Å; F258-T316 HydrophobicContact CE2-CG2 4.45Å; F258-T316 HydrophobicContact CG-CG2 4.49Å; F258-T316 HydrophobicContact CZ-CG2 3.73Å; S312-T316 WeakPolarHBondContact O-CG2 3.4Å; S312-T316 PolarHBondContact O-N 3.4Å; T313-T316 WeakPolarHBondContact CA-OG1 3.45Å; T313-T316 PolarHBondContact O-N 3.25Å; T313-T316 PolarHBondContact O-OG1 3.26Å; T316-L318 VanDerWaalsContact C-N 3.33Å; T316-L318 PolarHBondContact O-N 2.88Å; T316-I319 PolarHBondContact O-N 3.45Å; T316-M320 WeakPolarHBondContact O-CB 3.5Å; T316-M320 WeakPolarHBondContact O-CG 3.4Å; T316-M320 PolarHBondContact O-N 2.88Å
317I90.1Very high85.3Confident89 Ų8950.5 Ų50.546%0.45628%0.284SS..Hα-helixtrans-60.9-42.5173.7-66.5165.5000110.9V268 T313 A314 L315 M320 N321V268-I317 HydrophobicContact CG1-CD1 4.44Å; V268-I317 HydrophobicContact CG1-CG1 4.12Å; V268-I317 HydrophobicContact CG2-CG1 4.14Å; T313-I317 HydrophobicContact CG2-CD1 4.42Å; T313-I317 VanDerWaalsContact O-CG1 3.32Å; T313-I317 WeakPolarHBondContact O-CG1 3.47Å; T313-I317 PolarHBondContact O-N 2.92Å; A314-I317 PolarHBondContact O-N 3.32Å; L315-I317 VanDerWaalsContact C-N 3.33Å; L315-I317 PolarHBondContact O-N 2.92Å; I317-M320 PolarHBondContact O-N 3.41Å; I317-N321 PolarHBondContact O-N 2.85Å
318L88.4Confident83.7Confident87 Ų8752.2 Ų52.246%0.45530%0.3SS..Hα-helixtrans-61.3-47.6174.8-179.567.3000111.4A314 L315 T316 M320 N321 L322A314-L318 PolarHBondContact O-N 3.01Å; L315-L318 HydrophobicContact CD2-CD2 4.49Å; L315-L318 WeakPolarHBondContact O-CB 3.38Å; L315-L318 PolarHBondContact O-N 2.85Å; T316-L318 VanDerWaalsContact C-N 3.33Å; T316-L318 PolarHBondContact O-N 2.88Å; L318-M320 VanDerWaalsContact C-N 3.3Å; L318-M320 PolarHBondContact O-N 2.91Å; L318-N321 WeakPolarHBondContact O-CB 3.34Å; L318-N321 PolarHBondContact O-N 3.37Å; L318-N321 VanDerWaalsContact O-N 3.16Å; L318-L322 HydrophobicContact CG-CD1 4.32Å; L318-L322 VanDerWaalsContact O-CG 3.32Å; L318-L322 WeakPolarHBondContact O-CG 3.41Å; L318-L322 PolarHBondContact O-N 2.81Å
319I87.3Confident82.3Confident0 Ų052.8 Ų52.80%031%0.308CS..Hα-helixtrans-62.4-39.2178.8-66.5166.8000110.9F258 L315 T316 L322 H323 A423 M426 D427 F430F258-I319 HydrophobicContact CD1-CD1 4.27Å; F258-I319 HydrophobicContact CE1-CD1 4.08Å; L315-I319 VanDerWaalsContact O-CG1 3.27Å; L315-I319 WeakPolarHBondContact O-CG1 3.44Å; L315-I319 PolarHBondContact O-N 2.75Å; T316-I319 PolarHBondContact O-N 3.45Å; I319-L322 PolarHBondContact O-N 3.48Å; I319-H323 WeakPolarHBondContact O-CB 3.36Å; I319-H323 PolarHBondContact O-N 2.77Å; I319-A423 HydrophobicContact CG2-CB 3.86Å; I319-M426 HydrophobicContact CD1-CB 4.12Å; I319-M426 HydrophobicContact CG1-CB 4.26Å; I319-M426 HydrophobicContact CG1-CE 4.03Å; I319-D427 VanDerWaalsContact CD1-OD1 3.28Å; I319-D427 WeakPolarHBondContact CD1-OD1 3.23Å; I319-F430 HydrophobicContact CD1-CD2 4.06Å
320M86.4Confident81.1Confident24 Ų2463.2 Ų63.212%0.11835%0.347CS..Hα-helixtrans-62.7-42.6174.6-71.7-65.5-76.300111.7A262 K267 V268 T316 I317 L318 L322 H323 Y324A262-M320 HydrophobicContact CB-CE 4.29Å; A262-M320 HydrophobicContact CB-SD 3.4Å; A262-M320 WeakPolarHBondContact CB-SD 3.25Å; K267-M320 HydrophobicContact CD-CG 4.43Å; K267-M320 HydrophobicContact CD-SD 4.04Å; V268-M320 HydrophobicContact CG2-CG 4.22Å; T316-M320 WeakPolarHBondContact O-CB 3.5Å; T316-M320 WeakPolarHBondContact O-CG 3.4Å; T316-M320 PolarHBondContact O-N 2.88Å; I317-M320 PolarHBondContact O-N 3.41Å; L318-M320 VanDerWaalsContact C-N 3.3Å; L318-M320 PolarHBondContact O-N 2.91Å; M320-L322 VanDerWaalsContact C-N 3.3Å; M320-L322 PolarHBondContact O-N 2.89Å; M320-H323 PolarHBondContact O-N 2.93Å; M320-Y324 HydrophobicContact CE-CD2 4.34Å; M320-Y324 HydrophobicContact CE-CE2 3.62Å; M320-Y324 WeakPolarHBondContact O-CD2 3.48Å; M320-Y324 PolarHBondContact O-N 2.76Å; M320-Y324 HydrophobicContact SD-CE2 4.49Å
321N87Confident79.9Confident112 Ų11264.6 Ų64.660%0.59936%0.357SS*.Hα-helixtrans-60.4-40.8174.7-168.9-44.2000111.5I317 L318 C325I317-N321 PolarHBondContact O-N 2.85Å; L318-N321 WeakPolarHBondContact O-CB 3.34Å; L318-N321 PolarHBondContact O-N 3.37Å; L318-N321 VanDerWaalsContact O-N 3.16Å; N321-C325 PolarHBondContact O-N 2.75Å; N321-C325 PolarHBondContact O-SG 2.86Å; N321-C325 VanDerWaalsContact O-SG 3.42Å
322L82.5Confident78.9Confident33 Ų3359.1 Ų59.117%0.17333%0.334CS..Hα-helixtrans-68.6-37.4176-61.7171.8000112.8L318 I319 M320 C325 W419 M426L318-L322 HydrophobicContact CG-CD1 4.32Å; L318-L322 VanDerWaalsContact O-CG 3.32Å; L318-L322 WeakPolarHBondContact O-CG 3.41Å; L318-L322 PolarHBondContact O-N 2.81Å; I319-L322 PolarHBondContact O-N 3.48Å; M320-L322 VanDerWaalsContact C-N 3.3Å; M320-L322 PolarHBondContact O-N 2.89Å; L322-C325 WeakPolarHBondContact O-CB 3.27Å; L322-C325 PolarHBondContact O-N 3.4Å; L322-W419 HydrophobicContact CB-CE3 4.38Å; L322-W419 HydrophobicContact CD2-CE3 4.25Å; L322-W419 HydrophobicContact CD2-CH2 4.41Å; L322-W419 HydrophobicContact CD2-CZ3 3.71Å; L322-M426 HydrophobicContact CD1-CE 4.15Å; L322-M426 HydrophobicContact CD1-SD 3.95Å
323H83.7Confident78.1Confident12 Ų1261.4 Ų61.46%0.05635%0.349CS..Hα-helixtrans-66-41177.9-175.482.9000112.3A262 D263 I319 M320 C325 A423A262-H323 HydrophobicContact CB-CB 4.27Å; A262-H323 VanDerWaalsContact CB-CD2 3.48Å; A262-H323 WeakPolarHBondContact CB-CD2 3.47Å; D263-H323 IonicContact OD1-CD2 2.88Å; D263-H323 IonicContact OD1-CE1 2.75Å; D263-H323 IonicContact OD1-NE2 2.63Å; D263-H323 PolarHBondContact OD1-NE2 2.86Å; I319-H323 WeakPolarHBondContact O-CB 3.36Å; I319-H323 PolarHBondContact O-N 2.77Å; M320-H323 PolarHBondContact O-N 2.93Å; H323-C325 VanDerWaalsContact C-N 3.29Å; H323-C325 PolarHBondContact O-N 3.42Å; H323-A423 HydrophobicContact CB-CB 4.17Å
324Y82.1Confident77.2Confident128 Ų12864.9 Ų64.950%0.50238%0.379SS..THydrogen-bonded Turntrans-9018.7177.3-68.9-72.9000113.8A262 M320 G326A262-Y324 PolarHBondContact O-OH 3Å; M320-Y324 HydrophobicContact CE-CD2 4.34Å; M320-Y324 HydrophobicContact CE-CE2 3.62Å; M320-Y324 WeakPolarHBondContact O-CD2 3.48Å; M320-Y324 PolarHBondContact O-N 2.76Å; M320-Y324 HydrophobicContact SD-CE2 4.49Å; Y324-G326 PolarHBondContact O-N 2.7Å
325C75Confident76.5Confident25 Ų2570.8 Ų70.817%0.16939%0.39CS..  trans-55.1117.2171.6-87.30000110.2N321 L322 H323 A329 H416 W419N321-C325 PolarHBondContact O-N 2.75Å; N321-C325 PolarHBondContact O-SG 2.86Å; N321-C325 VanDerWaalsContact O-SG 3.42Å; L322-C325 WeakPolarHBondContact O-CB 3.27Å; L322-C325 PolarHBondContact O-N 3.4Å; H323-C325 VanDerWaalsContact C-N 3.29Å; H323-C325 PolarHBondContact O-N 3.42Å; C325-A329 HydrophobicContact CB-CB 4.06Å; C325-H416 PolarHBondContact O-ND1 2.78Å; C325-H416 VanDerWaalsContact O-ND1 3.14Å; C325-W419 HydrophobicContact CB-CG 4.32Å
326G63.8Low75.5Confident40 Ų4070 Ų7041%0.41239%0.386SS..  trans-67.8173.3-171.100000114.4Y324 S328 A329Y324-G326 PolarHBondContact O-N 2.7Å; G326-S328 PolarHBondContact O-N 3.22Å; G326-A329 VanDerWaalsContact O-CB 3.24Å; G326-A329 WeakPolarHBondContact O-CB 3.34Å; G326-A329 PolarHBondContact O-N 3.37Å
327P55.4Low74.6Confident114 Ų11474.9 Ų74.974%0.7441%0.405SS*.THydrogen-bonded Turntrans-63.5-11.7-174.924.1-33.4000114.9
328S57.6Low73.5Confident123 Ų12373.6 Ų73.686%0.8641%0.407SS*.THydrogen-bonded Turntrans-96.77.5175.8-46.90000113.7G326G326-S328 PolarHBondContact O-N 3.22Å
329A61.9Low72.7Confident34 Ų3474.2 Ų74.228%0.28141%0.41SS..PPolyproline II helixtrans-66.4138.3-178.500000111.5C325 G326C325-A329 HydrophobicContact CB-CB 4.06Å; G326-A329 VanDerWaalsContact O-CB 3.24Å; G326-A329 WeakPolarHBondContact O-CB 3.34Å; G326-A329 PolarHBondContact O-N 3.37Å
330R65.3Low71.6Confident219 Ų21975.6 Ų75.683%0.82642%0.418SS*.PPolyproline II helixtrans-58.8148172.5-67.8-174.6-175.9-170.21.7109.5W419R330-W419 PolarHBondContact O-NE1 2.82Å
331P66.9Low70.4Confident100 Ų10076.1 Ų76.165%0.64942%0.421SS*.PPolyproline II helixtrans-56144.6175.224.5-33.8000110.3
332V70.3Confident69.3Low10 Ų1072.2 Ų72.26%0.06141%0.406CS..PPolyproline II helixtrans-50.1127.1178.3-1790000109.1A334 A336 D418 W419 L422V332-A334 PolarHBondContact O-N 2.79Å; V332-A336 HydrophobicContact CG1-CB 3.98Å; V332-D418 HydrophobicContact CG2-CB 4.09Å; V332-W419 HydrophobicContact CG2-CD2 3.79Å; V332-W419 HydrophobicContact CG2-CE3 4.3Å; V332-W419 HydrophobicContact CG2-CG 4.06Å; V332-W419 HydrophobicContact CG2-CZ2 4.04Å; V332-L422 HydrophobicContact CG1-CD2 4.27Å
333P75.8Confident68.3Low52 Ų5277.4 Ų77.434%0.33843%0.43SS..PPolyproline II helixtrans-53140-179.8-2531.9000111.7W335 A336 R337P333-W335 VanDerWaalsContact CB-CD1 3.47Å; P333-W335 HydrophobicContact CB-CG 4.25Å; P333-W335 PolarHBondContact O-N 3.27Å; P333-W335 VanDerWaalsContact O-N 3.17Å; P333-A336 HydrophobicContact CB-CB 4.34Å; P333-A336 PolarHBondContact O-N 2.86Å; P333-R337 PolarHBondContact O-N 2.89Å
334A71.9Confident67.3Low85 Ų8578 Ų7870%0.70243%0.433SS*.Hα-helixtrans-57.5-34.7-176.200000113V332 R337 A338V332-A334 PolarHBondContact O-N 2.79Å; A334-R337 PolarHBondContact O-N 2.75Å; A334-A338 PolarHBondContact O-N 3.4Å; A334-A338 VanDerWaalsContact O-N 3.08Å
335W76.3Confident66.3Low178 Ų17872.7 Ų72.767%0.67442%0.416SS*.Hα-helixtrans-64.5-42.7174.969.7-98.7000112.1P333 R337 A338 L339P333-W335 VanDerWaalsContact CB-CD1 3.47Å; P333-W335 HydrophobicContact CB-CG 4.25Å; P333-W335 PolarHBondContact O-N 3.27Å; P333-W335 VanDerWaalsContact O-N 3.17Å; W335-R337 VanDerWaalsContact C-N 3.32Å; W335-R337 PolarHBondContact O-N 2.92Å; W335-A338 PolarHBondContact O-N 3.13Å; W335-L339 VanDerWaalsContact O-CB 3.31Å; W335-L339 WeakPolarHBondContact O-CB 3.36Å; W335-L339 PolarHBondContact O-N 3.12Å
336A68.6Low65.6Low4 Ų479 Ų793%0.03344%0.443CS..Hα-helixtrans-68.2-36.3-179.900000110.7V332 P333 L340V332-A336 HydrophobicContact CG1-CB 3.98Å; P333-A336 HydrophobicContact CB-CB 4.34Å; P333-A336 PolarHBondContact O-N 2.86Å; A336-L340 HydrophobicContact CB-CD1 4.37Å; A336-L340 VanDerWaalsContact O-CB 3.28Å; A336-L340 WeakPolarHBondContact O-CB 3.21Å; A336-L340 PolarHBondContact O-N 2.89Å
337R70.3Confident65.3Low104 Ų10481.3 Ų81.339%0.39245%0.452SS..Iπ-helixtrans-63.6-46.3174.8-156.7179.2-158.1110.26.2111.9P333 A334 W335 L341 G342 D418P333-R337 PolarHBondContact O-N 2.89Å; A334-R337 PolarHBondContact O-N 2.75Å; W335-R337 VanDerWaalsContact C-N 3.32Å; W335-R337 PolarHBondContact O-N 2.92Å; R337-L341 HydrophobicContact CG-CD1 4.43Å; R337-L341 VanDerWaalsContact O-CB 3.31Å; R337-L341 WeakPolarHBondContact O-CB 3.4Å; R337-L341 PolarHBondContact O-N 2.93Å; R337-L341 VanDerWaalsContact O-N 3.13Å; R337-G342 PolarHBondContact O-N 2.86Å; R337-D418 IonicContact CZ-OD2 3.35Å; R337-D418 IonicContact NH1-OD2 3.18Å; R337-D418 PolarHBondContact NH1-OD2 2.94Å; R337-D418 IonicContact NH2-OD1 3.25Å; R337-D418 PolarHBondContact NH2-OD1 3.13Å; R337-D418 IonicContact NH2-OD2 2.69Å; R337-D418 PolarHBondContact NH2-OD2 2.88Å
338A67.6Low65.4Low61 Ų6178.5 Ų78.550%0.50443%0.431SS..Iπ-helixtrans-68.4-42.1179.900000112.7A334 W335 G342 H343A334-A338 PolarHBondContact O-N 3.4Å; A334-A338 VanDerWaalsContact O-N 3.08Å; W335-A338 PolarHBondContact O-N 3.13Å; A338-G342 VanDerWaalsContact O-CA 3.32Å; A338-G342 WeakPolarHBondContact O-CA 3.39Å; A338-G342 PolarHBondContact O-N 3.49Å; A338-H343 PolarHBondContact O-N 2.99Å
339L70.4Confident65.1Low101 Ų10177.6 Ų77.653%0.52942%0.423SS..Iπ-helixtrans-79.8-42.6-173.2-140.7150.7000112.2W335 L344W335-L339 VanDerWaalsContact O-CB 3.31Å; W335-L339 WeakPolarHBondContact O-CB 3.36Å; W335-L339 PolarHBondContact O-N 3.12Å; L339-L344 PolarHBondContact O-N 2.87Å
340L65.4Low64.6Low29 Ų2978.1 Ų78.115%0.15242%0.423CS..Iπ-helixtrans-92-43-175.5-68.8152.4000113.2A336 L344 A345 L422 M426A336-L340 HydrophobicContact CB-CD1 4.37Å; A336-L340 VanDerWaalsContact O-CB 3.28Å; A336-L340 WeakPolarHBondContact O-CB 3.21Å; A336-L340 PolarHBondContact O-N 2.89Å; L340-L344 HydrophobicContact CD2-CD1 3.51Å; L340-L344 HydrophobicContact CG-CD1 4.36Å; L340-L344 WeakPolarHBondContact O-CB 3.42Å; L340-A345 PolarHBondContact O-N 2.67Å; L340-L422 HydrophobicContact CB-CD1 3.5Å; L340-L422 VanDerWaalsContact CB-CD1 3.5Å; L340-L422 HydrophobicContact CD1-CD1 3.59Å; L340-L422 HydrophobicContact CD1-CG 4.49Å; L340-L422 HydrophobicContact CG-CD1 4.09Å; L340-M426 HydrophobicContact CD2-CG 4.24Å
341L61.8Low63.5Low35 Ų3576 Ų7618%0.18342%0.423CS..Iπ-helixtrans-85.3-25.2177.8-75.891.1000113.4R337 A345 R421 L422R337-L341 HydrophobicContact CG-CD1 4.43Å; R337-L341 VanDerWaalsContact O-CB 3.31Å; R337-L341 WeakPolarHBondContact O-CB 3.4Å; R337-L341 PolarHBondContact O-N 2.93Å; R337-L341 VanDerWaalsContact O-N 3.13Å; L341-A345 VanDerWaalsContact O-CB 3.28Å; L341-A345 WeakPolarHBondContact O-CB 3.44Å; L341-R421 HydrophobicContact CD2-CG 4.18Å; L341-L422 HydrophobicContact CD1-CD1 3.85Å
342G61.9Low62.3Low29 Ų2975.7 Ų75.730%0.29941%0.412SS..Iπ-helixtrans-82.6-72.417600000112R337 A338R337-G342 PolarHBondContact O-N 2.86Å; A338-G342 VanDerWaalsContact O-CA 3.32Å; A338-G342 WeakPolarHBondContact O-CA 3.39Å; A338-G342 PolarHBondContact O-N 3.49Å
343H63.3Low60.7Low143 Ų14387.8 Ų87.866%0.66246%0.457SS*.Iπ-helixtrans-74-44.9-171.9-72.9-75.7000114.1A338 S347A338-H343 PolarHBondContact O-N 2.99Å; H343-S347 PolarHBondContact O-N 2.71Å
344L61.8Low58.9Low24 Ų2488.5 Ų88.513%0.12647%0.473CS..Iπ-helixtrans-75.1-39.2-174.4-93.5153.8000113.3L339 L340 Q346 S347 L348 V425 F429L339-L344 PolarHBondContact O-N 2.87Å; L340-L344 HydrophobicContact CD2-CD1 3.51Å; L340-L344 HydrophobicContact CG-CD1 4.36Å; L340-L344 WeakPolarHBondContact O-CB 3.42Å; L344-Q346 VanDerWaalsContact C-N 3.32Å; L344-Q346 PolarHBondContact O-N 2.93Å; L344-S347 PolarHBondContact O-N 3.41Å; L344-S347 PolarHBondContact O-OG 3.35Å; L344-L348 HydrophobicContact CD2-CD1 3.89Å; L344-L348 WeakPolarHBondContact O-CB 3.5Å; L344-L348 PolarHBondContact O-N 3.4Å; L344-V425 HydrophobicContact CB-CG1 4.11Å; L344-F429 HydrophobicContact CD2-CB 4.21Å; L344-F429 HydrophobicContact CD2-CD2 3.2Å; L344-F429 HydrophobicContact CD2-CE2 3.59Å; L344-F429 HydrophobicContact CD2-CG 3.8Å; L344-F429 HydrophobicContact CD2-CZ 4.46Å
345A60Low57Low16 Ų1692.1 Ų92.113%0.13248%0.476CS..Hα-helixtrans-63.9-34.8176.700000113.1L340 L341 V350L340-A345 PolarHBondContact O-N 2.67Å; L341-A345 VanDerWaalsContact O-CB 3.28Å; L341-A345 WeakPolarHBondContact O-CB 3.44Å; A345-V350 PolarHBondContact O-N 3.08Å
346Q60.9Low54.7Low159 Ų15989.7 Ų89.774%0.74348%0.483SS*.Hα-helixtrans-69.6-39.6172.5-90.4174.9-23.900112.4L344L344-Q346 VanDerWaalsContact C-N 3.32Å; L344-Q346 PolarHBondContact O-N 2.93Å
347S57.3Low52.8Low87 Ų8796 Ų9661%0.60853%0.526SS*.Hα-helixtrans-70.3-30.9179.481.90000113.8H343 L344H343-S347 PolarHBondContact O-N 2.71Å; L344-S347 PolarHBondContact O-N 3.41Å; L344-S347 PolarHBondContact O-OG 3.35Å
348L58Low51.2Low56 Ų5694 Ų9429%0.29354%0.537SS..THydrogen-bonded Turntrans-94.59.1-176.7-90.5139.8000113.9L344 V350 R428 F429L344-L348 HydrophobicContact CD2-CD1 3.89Å; L344-L348 WeakPolarHBondContact O-CB 3.5Å; L344-L348 PolarHBondContact O-N 3.4Å; L348-V350 HydrophobicContact CB-CG2 4.16Å; L348-V350 PolarHBondContact O-N 2.94Å; L348-V350 VanDerWaalsContact O-N 3.1Å; L348-R428 HydrophobicContact CD2-CB 3.95Å; L348-F429 HydrophobicContact CD1-CB 3.9Å; L348-F429 HydrophobicContact CD1-CD2 4.25Å
349C51.3Low49.4Very low103 Ų10399.6 Ų99.670%0.69655%0.553SS**THydrogen-bonded Turntrans41.448.4-177.6-75.50000112.6Q351C349-Q351 PolarHBondContact O-N 3.41Å
350V51.8Low47.5Very low46 Ų46100.4 Ų100.428%0.27957%0.566SS.*  trans-7675.7171-172.70000107.2A345 L348 E352A345-V350 PolarHBondContact O-N 3.08Å; L348-V350 HydrophobicContact CB-CG2 4.16Å; L348-V350 PolarHBondContact O-N 2.94Å; L348-V350 VanDerWaalsContact O-N 3.1Å; V350-E352 PolarHBondContact O-N 2.78Å
351Q41.3Very low45.6Very low175 Ų175109.8 Ų109.882%0.81860%0.6SS**  trans-69.2113.2174.6-163129900107.8C349 R353C349-Q351 PolarHBondContact O-N 3.41Å; Q351-R353 PolarHBondContact O-N 2.89Å
352E42.5Very low43.9Very low93 Ų93112.9 Ų112.944%0.43562%0.624SS.*  trans-61.9107.6170.2-75.9-168.1125.400108.3V350 G354 R421V350-E352 PolarHBondContact O-N 2.78Å; E352-G354 PolarHBondContact O-N 2.85Å; E352-R421 VanDerWaalsContact CD-CZ 3.4Å; E352-R421 VanDerWaalsContact CD-NH1 3.32Å; E352-R421 IonicContact OE1-CZ 3.16Å; E352-R421 IonicContact OE1-NE 3.89Å; E352-R421 IonicContact OE1-NH1 2.93Å; E352-R421 PolarHBondContact OE1-NH1 2.96Å; E352-R421 IonicContact OE1-NH2 3.33Å; E352-R421 PolarHBondContact OE1-NH2 3.19Å; E352-R421 IonicContact OE2-CZ 3.34Å; E352-R421 IonicContact OE2-NH1 3.09Å; E352-R421 PolarHBondContact OE2-NH1 3.38Å; E352-R421 VanDerWaalsContact OE2-NH1 3.09Å; E352-R421 IonicContact OE2-NH2 2.84Å; E352-R421 PolarHBondContact OE2-NH2 2.93Å
353R37.5Very low42.4Very low264 Ų264118 Ų118100%0.99665%0.653SS**THydrogen-bonded Turntrans-74.278.1163.3-150.6177.7-167.5175.63.5106.2Q351Q351-R353 PolarHBondContact O-N 2.89Å
354G38.1Very low40.6Very low66 Ų66120.6 Ų120.668%0.6867%0.665SS**THydrogen-bonded Turntrans177.23.5-175.400000120.9E352E352-G354 PolarHBondContact O-N 2.85Å
355E30.6Very low39.2Very low161 Ų161127.1 Ų127.175%0.75270%0.699SS**  trans-109.7126.4170-73.2-160.1127.300111.7C357E355-C357 PolarHBondContact O-N 3.22Å
356P28.7Very low37.8Very low127 Ų127131.4 Ų131.483%0.82573%0.728SS**  trans-62.7121.5172.7-14.827.5000109.8G358P356-G358 PolarHBondContact O-N 2.88Å
357C27.8Very low36.5Very low138 Ų138130 Ų13093%0.93273%0.733SS**SBendtrans-59.1127.4169.2-84.60000110.3E355E355-C357 PolarHBondContact O-N 3.22Å
358G37.7Very low35.1Very low61 Ų61131 Ų13163%0.62974%0.739SS**  trans116.484.6159.500000114.4P356P356-G358 PolarHBondContact O-N 2.88Å
359Q28.5Very low34.2Very low179 Ų179134.3 Ų134.384%0.83677%0.765SS**  trans-161.9101.8134.2-106.7163.666.200109.7R361Q359-R361 PolarHBondContact O-N 2.89Å
360S31Very low33Very low117 Ų117138.8 Ų138.882%0.81878%0.775SS**  trans-57.1117.5158.5165.10000108.6
361R24.9Very low31.9Very low227 Ų227142 Ų14286%0.85780%0.8SS**  trans-125.4116.5157.9-94.8-173.5171.8179.6-3.4109.5Q359Q359-R361 PolarHBondContact O-N 2.89Å
362S26.3Very low31.9Very low99 Ų99139.7 Ų139.769%0.69280%0.8SS**PPolyproline II helixtrans-56.8159168.4-54.60000111.8E364S362-E364 PolarHBondContact O-N 2.88Å
363P30.6Very low31.3Very low138 Ų138144.9 Ų144.990%0.89682%0.824SS**PPolyproline II helixtrans-76.7116.5-174.130.2-30.6000110.1
364E27.1Very low31.1Very low196 Ų196136.4 Ų136.492%0.91682%0.819SS**PPolyproline II helixtrans-103.4136.4174.3-151165.8-177.300110.9S362S362-E364 PolarHBondContact O-N 2.88Å
365L31.4Very low30.7Very low161 Ų161137 Ų13784%0.84383%0.825SS**PPolyproline II helixtrans-65.7149.7-164.1-157.469.5000112.8
366S31.3Very low30.7Very low107 Ų107134.4 Ų134.475%0.74883%0.831SS**PPolyproline II helixtrans-55.1150.1174.8-36.90000113.2
367P31.8Very low31Very low129 Ų129131.9 Ų131.984%0.83883%0.828SS**  trans-111.112015425.3-9.8000111.5
368S28.4Very low31.8Very low107 Ų107131.3 Ų131.375%0.74882%0.823SS**  trans-78.6161.5161400000111.3
369P38.8Very low32.3Very low127 Ų127134.3 Ų134.383%0.82583%0.831SS**  trans-86.9145.9-160.333.7-32.6000113.3
370Q27.3Very low32.9Very low197 Ų197130.6 Ų130.692%0.92183%0.831SS**  trans-128.9137.8165.5-73.6-172.4-10.700111.4
371S28.9Very low33Very low113 Ų113128 Ų12879%0.7982%0.823SS**  trans-77162.8178.7390000113.3
372P40.2Very low33.9Very low127 Ų127123.3 Ų123.383%0.82582%0.822SS**  trans-93.6134.3-177.534.4-28.2000112.5
373E31.2Very low34.3Very low202 Ų202125 Ų12594%0.94483%0.832SS**  trans-128.2149.2158.8-82.7-163.4139.900109.9
374G32.7Very low35.1Very low86 Ų86127 Ų12789%0.88783%0.829SS**  trans-94.2-176.6-154.300000118
375G28.4Very low36.1Very low77 Ų77126.1 Ų126.179%0.79483%0.825SS**  trans162.597.1171.700000115.8
376A31.7Very low37.5Very low107 Ų107124.2 Ų124.288%0.88482%0.822SS**  trans46.8127.1145.100000123.1
377G34.2Very low38.3Very low74 Ų74130 Ų13076%0.76383%0.828SS**  trans-72.4-172.9163.500000113.8
378P46.2Very low39.3Very low127 Ų127128.4 Ų128.483%0.82582%0.818SS**  cis-148.6-160.345.541.5-19.6000114.9
379P46.7Very low40.6Very low123 Ų123130.1 Ų130.180%0.79982%0.819SS**  cis-116.1163.5-4830.7-13.6000113.4
380A41.3Very low41.4Very low101 Ų101128.6 Ų128.684%0.83581%0.81SS**PPolyproline II helixtrans-78142.9176.200000113.2
381G34.5Very low42.6Very low63 Ų63125.7 Ų125.765%0.64980%0.796SS**PPolyproline II helixtrans-84.4152.3159.300000111.1C383G381-C383 PolarHBondContact O-N 2.9Å
382P43.4Very low44Very low128 Ų128126.4 Ų126.483%0.83179%0.787SS**PPolyproline II helixtrans-83.5116.7-171.331.1-30.6000111.7
383C34.8Very low45.4Very low135 Ų135127 Ų12791%0.91278%0.779SS**  trans-95114.8160.4-750000109.1G381G381-C383 PolarHBondContact O-N 2.9Å
384H47.5Very low47.3Very low181 Ų181119.6 Ų119.684%0.83875%0.751SS**  trans-86.5113.4167.4-105.1-81.2000109
385E47.2Very low49.4Very low177 Ų177120.2 Ų120.283%0.82773%0.734SS**  trans-164.6130.4140.7-122.3175.3165.200111.7
386P60.8Low51.9Low121 Ų121122 Ų12279%0.78673%0.725SS**  trans-97.396.9178.134.6-25.8000110.2
387R49.4Very low54.3Low228 Ų228123.2 Ų123.286%0.8671%0.712SS**  trans-142.6104.2163.2-80.9-168167.7-178.5-3.5112
388C52.9Low56.8Low95 Ų95125.8 Ų125.864%0.64270%0.704SS**  trans26.890.8157.5-62.50000118.9C390 H391C388-C390 PolarHBondContact O-N 3.27Å; C388-H391 PolarHBondContact O-N 2.83Å
389L53.9Low58.8Low144 Ų144123.7 Ų123.775%0.75469%0.688SS**Hα-helixtrans-56.6-24.5167.7-84.9151.7000114.2H391 Q392 E393L389-H391 PolarHBondContact O-N 2.73Å; L389-Q392 PolarHBondContact O-N 2.97Å; L389-E393 PolarHBondContact O-N 3.09Å
390C55.7Low60.7Low94 Ų94120 Ų12064%0.63567%0.668SS**Hα-helixtrans-72.2-27.4-178.51.10000113.8C388 A394C388-C390 PolarHBondContact O-N 3.27Å; C390-A394 PolarHBondContact O-N 3.01Å
391H53.3Low62.9Low137 Ų137118.3 Ų118.363%0.63465%0.647SS**Hα-helixtrans-75.8-29.6176.5-166.768.6000111.6C388 L389 L395C388-H391 PolarHBondContact O-N 2.83Å; L389-H391 PolarHBondContact O-N 2.73Å; H391-L395 PolarHBondContact O-N 2.87Å
392Q58.5Low65.5Low128 Ų128120.9 Ų120.960%0.59865%0.645SS**Hα-helixtrans-78.2-33.1180-160.7158.4-19.600112.2L389 L395 L396L389-Q392 PolarHBondContact O-N 2.97Å; Q392-L395 PolarHBondContact O-N 3.31Å; Q392-L396 WeakPolarHBondContact O-CB 3.44Å; Q392-L396 WeakPolarHBondContact O-CG 3.46Å; Q392-L396 PolarHBondContact O-N 3.48Å
393E68.9Low67.7Low140 Ų140116.6 Ų116.665%0.65462%0.621SS**Hα-helixtrans-63.9-42.9168.9-86.6178.8152.700112.6L389 L395 L396 H397L389-E393 PolarHBondContact O-N 3.09Å; E393-L395 VanDerWaalsContact C-N 3.33Å; E393-L395 PolarHBondContact O-N 3.46Å; E393-L396 PolarHBondContact O-N 3.25Å; E393-H397 WeakPolarHBondContact O-CB 3.41Å; E393-H397 PolarHBondContact O-N 3.22Å
394A71.2Confident70.2Confident45 Ų45114.6 Ų114.637%0.37260%0.601SS.*Hα-helixtrans-62.2-41.4176.200000111.7C390 H397 H398C390-A394 PolarHBondContact O-N 3.01Å; A394-H397 PolarHBondContact O-N 3.43Å; A394-H398 PolarHBondContact O-CD2 2.93Å; A394-H398 PolarHBondContact O-N 3.06Å
395L77.9Confident72.1Confident99 Ų99110 Ų11052%0.51859%0.586SS.*Hα-helixtrans-69.8-40.6179.3-149.1140.5000111.9H391 Q392 E393 H397 H398 V399H391-L395 PolarHBondContact O-N 2.87Å; Q392-L395 PolarHBondContact O-N 3.31Å; E393-L395 VanDerWaalsContact C-N 3.33Å; E393-L395 PolarHBondContact O-N 3.46Å; L395-H397 VanDerWaalsContact C-N 3.32Å; L395-H397 PolarHBondContact O-N 3.47Å; L395-H398 PolarHBondContact O-N 2.75Å; L395-V399 HydrophobicContact CD2-CG2 4.42Å; L395-V399 WeakPolarHBondContact O-CG2 3.49Å; L395-V399 PolarHBondContact O-N 2.59Å
396L80.9Confident73.9Confident115 Ų115107.1 Ų107.160%0.60257%0.571SS**Hα-helixtrans-62.4-38.2170.7-78169.1000112Q392 E393 V399 A400Q392-L396 WeakPolarHBondContact O-CB 3.44Å; Q392-L396 WeakPolarHBondContact O-CG 3.46Å; Q392-L396 PolarHBondContact O-N 3.48Å; E393-L396 PolarHBondContact O-N 3.25Å; L396-V399 PolarHBondContact O-N 3.38Å; L396-A400 VanDerWaalsContact O-CB 3.27Å; L396-A400 WeakPolarHBondContact O-CB 3.35Å; L396-A400 PolarHBondContact O-N 2.59Å
397H82.1Confident75.1Confident133 Ų133109 Ų10962%0.61656%0.562SS**Hα-helixtrans-67.3-40.4176.2-166.630.2000111.9E393 A394 L395 A400 T401E393-H397 WeakPolarHBondContact O-CB 3.41Å; E393-H397 PolarHBondContact O-N 3.22Å; A394-H397 PolarHBondContact O-N 3.43Å; L395-H397 VanDerWaalsContact C-N 3.32Å; L395-H397 PolarHBondContact O-N 3.47Å; H397-A400 PolarHBondContact O-N 3.36Å; H397-T401 WeakPolarHBondContact O-CB 3.25Å; H397-T401 PolarHBondContact O-N 2.67Å; H397-T401 PolarHBondContact O-OG1 2.94Å
398H85.3Confident76.7Confident127 Ų127101.6 Ų101.659%0.58855%0.545SS*.Hα-helixtrans-63.1-44.3172.7-75.3-58.6000112.2A394 L395 T401 I402A394-H398 PolarHBondContact O-CD2 2.93Å; A394-H398 PolarHBondContact O-N 3.06Å; L395-H398 PolarHBondContact O-N 2.75Å; H398-T401 PolarHBondContact O-N 2.95Å; H398-I402 WeakPolarHBondContact O-CB 3.41Å; H398-I402 WeakPolarHBondContact O-CD1 3.33Å; H398-I402 VanDerWaalsContact O-CG1 3.23Å; H398-I402 WeakPolarHBondContact O-CG1 3.31Å; H398-I402 PolarHBondContact O-N 3.45Å
399V88.1Confident78.1Confident83 Ų83102.4 Ų102.450%0.50354%0.539SS..Hα-helixtrans-63.4-42.3175.7173.10000111.3L395 L396 T401 I402 A403L395-V399 HydrophobicContact CD2-CG2 4.42Å; L395-V399 WeakPolarHBondContact O-CG2 3.49Å; L395-V399 PolarHBondContact O-N 2.59Å; L396-V399 PolarHBondContact O-N 3.38Å; V399-T401 VanDerWaalsContact C-N 3.32Å; V399-T401 PolarHBondContact O-N 3.22Å; V399-I402 PolarHBondContact O-N 3.21Å; V399-A403 VanDerWaalsContact O-CB 3.25Å; V399-A403 WeakPolarHBondContact O-CB 3.4Å; V399-A403 PolarHBondContact O-N 3.02Å
400A86.7Confident79.5Confident45 Ų45101.7 Ų101.737%0.37253%0.527SS..Hα-helixtrans-63.6-38.2175.700000112.1L396 H397 A403 N404L396-A400 VanDerWaalsContact O-CB 3.27Å; L396-A400 WeakPolarHBondContact O-CB 3.35Å; L396-A400 PolarHBondContact O-N 2.59Å; H397-A400 PolarHBondContact O-N 3.36Å; A400-A403 PolarHBondContact O-N 3.37Å; A400-N404 WeakPolarHBondContact O-CB 3.34Å; A400-N404 PolarHBondContact O-N 3.27Å
401T88.5Confident80.6Confident66 Ų66100 Ų10041%0.40552%0.519SS..Hα-helixtrans-67.5-47.4176.3-53.10000110.7H397 H398 V399 A403 N404 T405H397-T401 WeakPolarHBondContact O-CB 3.25Å; H397-T401 PolarHBondContact O-N 2.67Å; H397-T401 PolarHBondContact O-OG1 2.94Å; H398-T401 PolarHBondContact O-N 2.95Å; V399-T401 VanDerWaalsContact C-N 3.32Å; V399-T401 PolarHBondContact O-N 3.22Å; T401-A403 VanDerWaalsContact C-N 3.33Å; T401-A403 PolarHBondContact O-N 3.01Å; T401-N404 PolarHBondContact O-N 3.36Å; T401-T405 WeakPolarHBondContact O-CB 3.22Å; T401-T405 PolarHBondContact O-N 2.82Å; T401-T405 PolarHBondContact O-OG1 3.24Å
402I88.7Confident81.7Confident117 Ų11794.9 Ų94.960%0.650%0.501SS*.Hα-helixtrans-59.8-44.1175.4-66.9162.8000110.6H398 V399 N404 T405 F406H398-I402 WeakPolarHBondContact O-CB 3.41Å; H398-I402 WeakPolarHBondContact O-CD1 3.33Å; H398-I402 VanDerWaalsContact O-CG1 3.23Å; H398-I402 WeakPolarHBondContact O-CG1 3.31Å; H398-I402 PolarHBondContact O-N 3.45Å; V399-I402 PolarHBondContact O-N 3.21Å; I402-N404 PolarHBondContact O-N 2.87Å; I402-T405 PolarHBondContact O-N 2.83Å; I402-F406 VanDerWaalsContact O-CB 3.29Å; I402-F406 WeakPolarHBondContact O-CB 3.35Å; I402-F406 PolarHBondContact O-N 2.92Å
403A89.7Confident82.7Confident39 Ų3993.7 Ų93.732%0.32250%0.495SS..Hα-helixtrans-64.3-38.1177.500000112.4V399 A400 T401 R407V399-A403 VanDerWaalsContact O-CB 3.25Å; V399-A403 WeakPolarHBondContact O-CB 3.4Å; V399-A403 PolarHBondContact O-N 3.02Å; A400-A403 PolarHBondContact O-N 3.37Å; T401-A403 VanDerWaalsContact C-N 3.33Å; T401-A403 PolarHBondContact O-N 3.01Å; A403-R407 WeakPolarHBondContact O-CB 3.45Å; A403-R407 VanDerWaalsContact O-CG 3.31Å; A403-R407 WeakPolarHBondContact O-CG 3.46Å; A403-R407 PolarHBondContact O-N 3.49Å; A403-R407 PolarHBondContact O-NE 2.82Å
404N87.8Confident83.2Confident92 Ų9295.2 Ų95.249%0.49250%0.495SS..Hα-helixtrans-69.6-42.8174.5-85.6-2.5000112.3A400 T401 I402 F406 R407 S408A400-N404 WeakPolarHBondContact O-CB 3.34Å; A400-N404 PolarHBondContact O-N 3.27Å; T401-N404 PolarHBondContact O-N 3.36Å; I402-N404 PolarHBondContact O-N 2.87Å; N404-F406 VanDerWaalsContact C-N 3.32Å; N404-F406 PolarHBondContact O-N 3.47Å; N404-R407 PolarHBondContact O-N 3.03Å; N404-R407 PolarHBondContact OD1-NH2 2.91Å; N404-S408 PolarHBondContact O-N 2.88Å; N404-S408 PolarHBondContact O-OG 2.87Å
405T85.8Confident83.5Confident84 Ų8494.2 Ų94.252%0.51549%0.485SS..Hα-helixtrans-63-39.7175.1-53.60000111.3T401 I402 S408 H409T401-T405 WeakPolarHBondContact O-CB 3.22Å; T401-T405 PolarHBondContact O-N 2.82Å; T401-T405 PolarHBondContact O-OG1 3.24Å; I402-T405 PolarHBondContact O-N 2.83Å; T405-S408 WeakPolarHBondContact CA-OG 3.41Å; T405-S408 PolarHBondContact O-OG 2.94Å; T405-H409 WeakPolarHBondContact O-CB 3.45Å; T405-H409 PolarHBondContact O-N 2.8Å
406F86.3Confident83.6Confident118 Ų11892.1 Ų92.152%0.51847%0.473SS..Hα-helixtrans-69-37.7176.3-165.8-105.1000112.1I402 N404 R410I402-F406 VanDerWaalsContact O-CB 3.29Å; I402-F406 WeakPolarHBondContact O-CB 3.35Å; I402-F406 PolarHBondContact O-N 2.92Å; N404-F406 VanDerWaalsContact C-N 3.32Å; N404-F406 PolarHBondContact O-N 3.47Å; F406-R410 HydrophobicContact CE1-CG 4.33Å; F406-R410 VanDerWaalsContact CE1-CZ 3.45Å; F406-R410 WeakPolarHBondContact O-CB 3.35Å; F406-R410 PolarHBondContact O-N 2.89Å
407R85.4Confident83.5Confident161 Ų16191 Ų9161%0.60846%0.464SS*.Hα-helixtrans-66.2-44.2173.8-80.7-173-75.9-162.7-0.2112.3A403 N404 R410 A411A403-R407 WeakPolarHBondContact O-CB 3.45Å; A403-R407 VanDerWaalsContact O-CG 3.31Å; A403-R407 WeakPolarHBondContact O-CG 3.46Å; A403-R407 PolarHBondContact O-N 3.49Å; A403-R407 PolarHBondContact O-NE 2.82Å; N404-R407 PolarHBondContact O-N 3.03Å; N404-R407 PolarHBondContact OD1-NH2 2.91Å; R407-R410 PolarHBondContact O-N 2.95Å; R407-A411 WeakPolarHBondContact O-CB 3.17Å; R407-A411 PolarHBondContact O-N 3.37Å
408S82.8Confident83.5Confident72 Ų7286.5 Ų86.550%0.50345%0.445SS..Hα-helixtrans-65.8-41.117765.20000111.4N404 T405 A411 A412N404-S408 PolarHBondContact O-N 2.88Å; N404-S408 PolarHBondContact O-OG 2.87Å; T405-S408 WeakPolarHBondContact CA-OG 3.41Å; T405-S408 PolarHBondContact O-OG 2.94Å; S408-A411 PolarHBondContact O-N 3.49Å; S408-A412 WeakPolarHBondContact O-CB 3.41Å; S408-A412 PolarHBondContact O-N 3.24Å
409H82.4Confident83.3Confident111 Ų11182 Ų8251%0.51442%0.423SS..Hα-helixtrans-63-42.8174.9-164.3-70.9000112.1T405 A412 Q413T405-H409 WeakPolarHBondContact O-CB 3.45Å; T405-H409 PolarHBondContact O-N 2.8Å; H409-A412 PolarHBondContact O-N 3.05Å; H409-Q413 WeakPolarHBondContact O-CB 3.49Å; H409-Q413 WeakPolarHBondContact O-CG 3.44Å; H409-Q413 PolarHBondContact O-N 2.86Å
410R83.1Confident83Confident130 Ų13080.2 Ų80.249%0.49141%0.408SS..Hα-helixtrans-63.3-39.2173.4-85.8-171172.9179.40.4112.6F406 R407 Q413 R414F406-R410 HydrophobicContact CE1-CG 4.33Å; F406-R410 VanDerWaalsContact CE1-CZ 3.45Å; F406-R410 WeakPolarHBondContact O-CB 3.35Å; F406-R410 PolarHBondContact O-N 2.89Å; R407-R410 PolarHBondContact O-N 2.95Å; R410-Q413 PolarHBondContact O-N 2.84Å; R410-R414 WeakPolarHBondContact O-CG 3.45Å; R410-R414 PolarHBondContact O-N 2.8Å
411A79.7Confident82.7Confident57 Ų5781.6 Ų81.647%0.47140%0.404SS..Hα-helixtrans-66.2-43.1177.100000111.6R407 S408 R414 C415R407-A411 WeakPolarHBondContact O-CB 3.17Å; R407-A411 PolarHBondContact O-N 3.37Å; S408-A411 PolarHBondContact O-N 3.49Å; A411-R414 PolarHBondContact O-N 2.72Å; A411-C415 PolarHBondContact O-N 3Å
412A76.8Confident82.4Confident31 Ų3178.7 Ų78.726%0.25639%0.386SS..Hα-helixtrans-62.3-41.417400000111.9S408 H409 C415 H416S408-A412 WeakPolarHBondContact O-CB 3.41Å; S408-A412 PolarHBondContact O-N 3.24Å; H409-A412 PolarHBondContact O-N 3.05Å; A412-C415 PolarHBondContact O-N 2.76Å; A412-H416 WeakPolarHBondContact O-CB 3.24Å; A412-H416 PolarHBondContact O-N 2.99Å
413Q79.6Confident82.2Confident103 Ų10373.2 Ų73.248%0.48136%0.358SS..Hα-helixtrans-62.2-43.1174.3-80.3178.9-41.600112.7H409 R410 H416 E417H409-Q413 WeakPolarHBondContact O-CB 3.49Å; H409-Q413 WeakPolarHBondContact O-CG 3.44Å; H409-Q413 PolarHBondContact O-N 2.86Å; R410-Q413 PolarHBondContact O-N 2.84Å; Q413-H416 PolarHBondContact O-N 2.82Å; Q413-E417 WeakPolarHBondContact O-CG 3.33Å; Q413-E417 PolarHBondContact O-N 2.93Å
414R78.6Confident81.9Confident171 Ų17178.2 Ų78.265%0.64537%0.368SS*.Hα-helixtrans-62.7-43175.7-71.5177.3-160.6-177.32.7112R410 A411 H416 E417 D418R410-R414 WeakPolarHBondContact O-CG 3.45Å; R410-R414 PolarHBondContact O-N 2.8Å; A411-R414 PolarHBondContact O-N 2.72Å; R414-H416 VanDerWaalsContact C-N 3.31Å; R414-H416 PolarHBondContact O-N 3.07Å; R414-E417 PolarHBondContact O-N 3.24Å; R414-D418 PolarHBondContact O-N 2.84Å
415C77.3Confident81.7Confident25 Ų2574 Ų7417%0.16935%0.346CS..Hα-helixtrans-60.3-43.5175.8-171.60000111.1A411 A412 D418 W419A411-C415 PolarHBondContact O-N 3Å; A412-C415 PolarHBondContact O-N 2.76Å; C415-D418 WeakPolarHBondContact O-CB 3.32Å; C415-D418 PolarHBondContact O-N 3.01Å; C415-W419 PolarHBondContact O-N 3.05Å; C415-W419 VanDerWaalsContact O-N 3.11Å
416H79.7Confident81.7Confident55 Ų5571.1 Ų71.126%0.25533%0.327SS..Hα-helixtrans-64.7-41.2177.5-174.568.3000112.3C325 A412 Q413 R414 D418 W419 K420C325-H416 PolarHBondContact O-ND1 2.78Å; C325-H416 VanDerWaalsContact O-ND1 3.14Å; A412-H416 WeakPolarHBondContact O-CB 3.24Å; A412-H416 PolarHBondContact O-N 2.99Å; Q413-H416 PolarHBondContact O-N 2.82Å; R414-H416 VanDerWaalsContact C-N 3.31Å; R414-H416 PolarHBondContact O-N 3.07Å; H416-D418 PolarHBondContact O-N 3.25Å; H416-W419 PolarHBondContact O-N 2.91Å; H416-K420 VanDerWaalsContact CD2-CE 3.47Å; H416-K420 WeakPolarHBondContact CD2-CE 3.28Å; H416-K420 WeakPolarHBondContact NE2-CE 3.23Å; H416-K420 PolarHBondContact NE2-NZ 2.99Å; H416-K420 WeakPolarHBondContact O-CG 3.48Å; H416-K420 PolarHBondContact O-N 3.47Å
417E80.1Confident81.8Confident91 Ų9166.2 Ų66.243%0.42531%0.306SS..Hα-helixtrans-65.3-35.1174.3-72.5-57.5132.800112.9Q413 R414 K420 R421Q413-E417 WeakPolarHBondContact O-CG 3.33Å; Q413-E417 PolarHBondContact O-N 2.93Å; R414-E417 PolarHBondContact O-N 3.24Å; E417-K420 PolarHBondContact O-N 3.04Å; E417-K420 IonicContact OE1-NZ 2.95Å; E417-K420 PolarHBondContact OE1-NZ 2.85Å; E417-R421 WeakPolarHBondContact O-CB 3.28Å; E417-R421 PolarHBondContact O-N 3.15Å
418D80.6Confident81.9Confident39 Ų3964.7 Ų64.721%0.20930%0.3CS..Hα-helixtrans-61.4-43.1172-74.9-24.1000111.5V332 R337 R414 C415 H416 R421 L422V332-D418 HydrophobicContact CG2-CB 4.09Å; R337-D418 IonicContact CZ-OD2 3.35Å; R337-D418 IonicContact NH1-OD2 3.18Å; R337-D418 PolarHBondContact NH1-OD2 2.94Å; R337-D418 IonicContact NH2-OD1 3.25Å; R337-D418 PolarHBondContact NH2-OD1 3.13Å; R337-D418 IonicContact NH2-OD2 2.69Å; R337-D418 PolarHBondContact NH2-OD2 2.88Å; R414-D418 PolarHBondContact O-N 2.84Å; C415-D418 WeakPolarHBondContact O-CB 3.32Å; C415-D418 PolarHBondContact O-N 3.01Å; H416-D418 PolarHBondContact O-N 3.25Å; D418-R421 PolarHBondContact O-N 3.35Å; D418-L422 WeakPolarHBondContact O-CB 3.11Å; D418-L422 PolarHBondContact O-N 3.48Å
419W82Confident82.1Confident32 Ų3264.7 Ų64.712%0.12129%0.291CS..Hα-helixtrans-65.5-41.7176-80110.1000112.4L322 C325 R330 V332 C415 H416 R421 L422 A423L322-W419 HydrophobicContact CB-CE3 4.38Å; L322-W419 HydrophobicContact CD2-CE3 4.25Å; L322-W419 HydrophobicContact CD2-CH2 4.41Å; L322-W419 HydrophobicContact CD2-CZ3 3.71Å; C325-W419 HydrophobicContact CB-CG 4.32Å; R330-W419 PolarHBondContact O-NE1 2.82Å; V332-W419 HydrophobicContact CG2-CD2 3.79Å; V332-W419 HydrophobicContact CG2-CE3 4.3Å; V332-W419 HydrophobicContact CG2-CG 4.06Å; V332-W419 HydrophobicContact CG2-CZ2 4.04Å; C415-W419 PolarHBondContact O-N 3.05Å; C415-W419 VanDerWaalsContact O-N 3.11Å; H416-W419 PolarHBondContact O-N 2.91Å; W419-R421 VanDerWaalsContact C-N 3.31Å; W419-R421 PolarHBondContact O-N 3Å; W419-L422 HydrophobicContact CE3-CD2 3.69Å; W419-L422 HydrophobicContact CZ3-CD2 3.56Å; W419-L422 WeakPolarHBondContact O-CB 3.48Å; W419-L422 PolarHBondContact O-N 3.28Å; W419-A423 WeakPolarHBondContact O-CB 3.06Å; W419-A423 PolarHBondContact O-N 3.24Å
420K82.3Confident82.5Confident45 Ų4561.2 Ų61.220%0.19628%0.275CS..Hα-helixtrans-62.2-38.5172.3-69.9-174.1-175.61580112.4H416 E417 R424H416-K420 VanDerWaalsContact CD2-CE 3.47Å; H416-K420 WeakPolarHBondContact CD2-CE 3.28Å; H416-K420 WeakPolarHBondContact NE2-CE 3.23Å; H416-K420 PolarHBondContact NE2-NZ 2.99Å; H416-K420 WeakPolarHBondContact O-CG 3.48Å; H416-K420 PolarHBondContact O-N 3.47Å; E417-K420 PolarHBondContact O-N 3.04Å; E417-K420 IonicContact OE1-NZ 2.95Å; E417-K420 PolarHBondContact OE1-NZ 2.85Å; K420-R424 WeakPolarHBondContact O-CG 3.33Å; K420-R424 PolarHBondContact O-N 2.87Å; K420-R424 PolarHBondContact O-NE 3.42Å
421R79.8Confident82.8Confident74 Ų7456.7 Ų56.728%0.27926%0.26SS..Hα-helixtrans-64.9-43.8176-172.7171.9-179.2161.27.1110.4L341 E352 E417 D418 W419 R424 V425L341-R421 HydrophobicContact CD2-CG 4.18Å; E352-R421 VanDerWaalsContact CD-CZ 3.4Å; E352-R421 VanDerWaalsContact CD-NH1 3.32Å; E352-R421 IonicContact OE1-CZ 3.16Å; E352-R421 IonicContact OE1-NE 3.89Å; E352-R421 IonicContact OE1-NH1 2.93Å; E352-R421 PolarHBondContact OE1-NH1 2.96Å; E352-R421 IonicContact OE1-NH2 3.33Å; E352-R421 PolarHBondContact OE1-NH2 3.19Å; E352-R421 IonicContact OE2-CZ 3.34Å; E352-R421 IonicContact OE2-NH1 3.09Å; E352-R421 PolarHBondContact OE2-NH1 3.38Å; E352-R421 VanDerWaalsContact OE2-NH1 3.09Å; E352-R421 IonicContact OE2-NH2 2.84Å; E352-R421 PolarHBondContact OE2-NH2 2.93Å; E417-R421 WeakPolarHBondContact O-CB 3.28Å; E417-R421 PolarHBondContact O-N 3.15Å; D418-R421 PolarHBondContact O-N 3.35Å; W419-R421 VanDerWaalsContact C-N 3.31Å; W419-R421 PolarHBondContact O-N 3Å; R421-R424 PolarHBondContact O-N 2.87Å; R421-V425 WeakPolarHBondContact O-CG2 3.22Å; R421-V425 PolarHBondContact O-N 2.93Å
422L83Confident83.2Confident5 Ų556 Ų563%0.02626%0.259CS..Hα-helixtrans-58.2-49.2175-170.569.6000111.7V332 L340 L341 D418 W419 R424 V425 M426V332-L422 HydrophobicContact CG1-CD2 4.27Å; L340-L422 HydrophobicContact CB-CD1 3.5Å; L340-L422 VanDerWaalsContact CB-CD1 3.5Å; L340-L422 HydrophobicContact CD1-CD1 3.59Å; L340-L422 HydrophobicContact CD1-CG 4.49Å; L340-L422 HydrophobicContact CG-CD1 4.09Å; L341-L422 HydrophobicContact CD1-CD1 3.85Å; D418-L422 WeakPolarHBondContact O-CB 3.11Å; D418-L422 PolarHBondContact O-N 3.48Å; W419-L422 HydrophobicContact CE3-CD2 3.69Å; W419-L422 HydrophobicContact CZ3-CD2 3.56Å; W419-L422 WeakPolarHBondContact O-CB 3.48Å; W419-L422 PolarHBondContact O-N 3.28Å; L422-R424 VanDerWaalsContact C-N 3.35Å; L422-R424 PolarHBondContact O-N 2.83Å; L422-V425 PolarHBondContact O-N 2.67Å; L422-M426 HydrophobicContact CG-SD 4.34Å; L422-M426 WeakPolarHBondContact O-CG 3.24Å; L422-M426 PolarHBondContact O-N 2.94Å
423A84.1Confident83.8Confident2 Ų257.5 Ų57.52%0.01726%0.262CS..Hα-helixtrans-57.6-4517800000112.1I319 H323 W419 V425 M426 D427I319-A423 HydrophobicContact CG2-CB 3.86Å; H323-A423 HydrophobicContact CB-CB 4.17Å; W419-A423 WeakPolarHBondContact O-CB 3.06Å; W419-A423 PolarHBondContact O-N 3.24Å; A423-V425 PolarHBondContact O-N 2.95Å; A423-M426 PolarHBondContact O-N 3.46Å; A423-D427 WeakPolarHBondContact O-CB 3.35Å; A423-D427 PolarHBondContact O-N 3.5Å
424R83.4Confident84.4Confident144 Ų14452.9 Ų52.954%0.54324%0.24SC..Hα-helixtrans-63.2-38176.7-75.4-175.6-72.2163.3-5.2113.5K420 R421 L422 R428K420-R424 WeakPolarHBondContact O-CG 3.33Å; K420-R424 PolarHBondContact O-N 2.87Å; K420-R424 PolarHBondContact O-NE 3.42Å; R421-R424 PolarHBondContact O-N 2.87Å; L422-R424 VanDerWaalsContact C-N 3.35Å; L422-R424 PolarHBondContact O-N 2.83Å; R424-R428 PolarHBondContact O-N 2.84Å
425V84.1Confident85.1Confident4 Ų449 Ų492%0.02423%0.228CC..Hα-helixtrans-68.8-43.5176.8173.40000110.5L344 R421 L422 A423 D427 R428 F429L344-V425 HydrophobicContact CB-CG1 4.11Å; R421-V425 WeakPolarHBondContact O-CG2 3.22Å; R421-V425 PolarHBondContact O-N 2.93Å; L422-V425 PolarHBondContact O-N 2.67Å; A423-V425 PolarHBondContact O-N 2.95Å; V425-D427 VanDerWaalsContact C-N 3.34Å; V425-D427 PolarHBondContact O-N 3Å; V425-R428 PolarHBondContact O-N 2.95Å; V425-F429 WeakPolarHBondContact O-CB 3.29Å; V425-F429 PolarHBondContact O-N 3.43Å
426M84.9Confident85.7Confident23 Ų2350.7 Ų50.711%0.11324%0.24CC..Hα-helixtrans-59.6-45.1174.8-71.8178.466.800111.5I319 L322 L340 L422 A423 R428 F429 F430I319-M426 HydrophobicContact CD1-CB 4.12Å; I319-M426 HydrophobicContact CG1-CB 4.26Å; I319-M426 HydrophobicContact CG1-CE 4.03Å; L322-M426 HydrophobicContact CD1-CE 4.15Å; L322-M426 HydrophobicContact CD1-SD 3.95Å; L340-M426 HydrophobicContact CD2-CG 4.24Å; L422-M426 HydrophobicContact CG-SD 4.34Å; L422-M426 WeakPolarHBondContact O-CG 3.24Å; L422-M426 PolarHBondContact O-N 2.94Å; A423-M426 PolarHBondContact O-N 3.46Å; M426-R428 PolarHBondContact O-N 2.99Å; M426-F429 PolarHBondContact O-N 2.99Å; M426-F430 HydrophobicContact CB-CD2 4.25Å; M426-F430 HydrophobicContact CB-CE2 4.25Å; M426-F430 HydrophobicContact CE-CE2 3.88Å; M426-F430 WeakPolarHBondContact O-CD2 3.36Å; M426-F430 PolarHBondContact O-N 3.16Å
427D88.3Confident86.3Confident15 Ų1552.5 Ų52.58%0.0825%0.25CC..Hα-helixtrans-55.9-49.9176.9-88.5-21.8000112.4F258 K267 I319 A423 V425 F429 F430 L431F258-D427 WeakPolarHBondContact CD1-OD1 3.41Å; F258-D427 WeakPolarHBondContact O-CB 3.43Å; K267-D427 IonicContact NZ-OD1 3.24Å; K267-D427 PolarHBondContact NZ-OD1 3.46Å; K267-D427 IonicContact NZ-OD2 2.91Å; K267-D427 PolarHBondContact NZ-OD2 3.23Å; I319-D427 VanDerWaalsContact CD1-OD1 3.28Å; I319-D427 WeakPolarHBondContact CD1-OD1 3.23Å; A423-D427 WeakPolarHBondContact O-CB 3.35Å; A423-D427 PolarHBondContact O-N 3.5Å; V425-D427 VanDerWaalsContact C-N 3.34Å; V425-D427 PolarHBondContact O-N 3Å; D427-F429 VanDerWaalsContact C-N 3.34Å; D427-F429 PolarHBondContact O-N 3.06Å; D427-F430 PolarHBondContact O-N 3.42Å; D427-L431 WeakPolarHBondContact O-CB 3.49Å; D427-L431 PolarHBondContact O-N 3.12Å
428R86.9Confident86.8Confident129 Ų12948.3 Ų48.349%0.48723%0.231SC..Hα-helixtrans-67-34.8179.2-70.1-168.9170.1178.9-0.5113.3L348 R424 V425 M426 G432L348-R428 HydrophobicContact CD2-CB 3.95Å; R424-R428 PolarHBondContact O-N 2.84Å; V425-R428 PolarHBondContact O-N 2.95Å; M426-R428 PolarHBondContact O-N 2.99Å; R428-G432 PolarHBondContact O-N 3.1Å
429F87.7Confident87.2Confident72 Ų7249.9 Ų49.932%0.31624%0.239SC..Hα-helixtrans-65.5-51.8176.4174.6-109.4000111.5L344 L348 V425 M426 D427 L431 G432 I433L344-F429 HydrophobicContact CD2-CB 4.21Å; L344-F429 HydrophobicContact CD2-CD2 3.2Å; L344-F429 HydrophobicContact CD2-CE2 3.59Å; L344-F429 HydrophobicContact CD2-CG 3.8Å; L344-F429 HydrophobicContact CD2-CZ 4.46Å; L348-F429 HydrophobicContact CD1-CB 3.9Å; L348-F429 HydrophobicContact CD1-CD2 4.25Å; V425-F429 WeakPolarHBondContact O-CB 3.29Å; V425-F429 PolarHBondContact O-N 3.43Å; M426-F429 PolarHBondContact O-N 2.99Å; D427-F429 VanDerWaalsContact C-N 3.34Å; D427-F429 PolarHBondContact O-N 3.06Å; F429-L431 VanDerWaalsContact C-N 3.33Å; F429-L431 PolarHBondContact O-N 2.9Å; F429-G432 PolarHBondContact O-N 2.86Å; F429-I433 HydrophobicContact CD1-CD1 3.98Å; F429-I433 HydrophobicContact CD2-CD1 4.36Å; F429-I433 HydrophobicContact CE1-CD1 3.41Å; F429-I433 VanDerWaalsContact CE1-CD1 3.41Å; F429-I433 HydrophobicContact CE2-CD1 3.85Å; F429-I433 HydrophobicContact CG-CD1 4.45Å; F429-I433 HydrophobicContact CZ-CD1 3.37Å; F429-I433 HydrophobicContact CZ-CG1 4.49Å; F429-I433 PolarHBondContact O-N 2.92Å
430F89.7Confident87.7Confident38 Ų3852 Ų5217%0.16726%0.255CS..Hα-helixtrans-67.6-33.8178.9-72.5-61.4000112.1F258 L315 I319 M426 D427 G432 I433 F434F258-F430 HydrophobicContact CD1-CB 4.16Å; F258-F430 HydrophobicContact CE1-CB 3.95Å; F258-F430 HydrophobicContact CE2-CB 4.49Å; F258-F430 HydrophobicContact CZ-CB 4.14Å; L315-F430 HydrophobicContact CD1-CD1 4.07Å; L315-F430 HydrophobicContact CD1-CE1 4.02Å; L315-F430 HydrophobicContact CD1-CZ 4.45Å; L315-F430 HydrophobicContact CD2-CE1 4.38Å; L315-F430 HydrophobicContact CD2-CE2 4.26Å; L315-F430 HydrophobicContact CD2-CZ 4.01Å; I319-F430 HydrophobicContact CD1-CD2 4.06Å; M426-F430 HydrophobicContact CB-CD2 4.25Å; M426-F430 HydrophobicContact CB-CE2 4.25Å; M426-F430 HydrophobicContact CE-CE2 3.88Å; M426-F430 WeakPolarHBondContact O-CD2 3.36Å; M426-F430 PolarHBondContact O-N 3.16Å; D427-F430 PolarHBondContact O-N 3.42Å; F430-G432 VanDerWaalsContact C-N 3.34Å; F430-G432 PolarHBondContact O-N 3.38Å; F430-I433 PolarHBondContact O-N 2.96Å; F430-F434 HydrophobicContact CB-CD2 4.02Å; F430-F434 HydrophobicContact CB-CE2 4.04Å; F430-F434 HydrophobicContact CD1-CE2 4Å; F430-F434 HydrophobicContact CG-CE2 4.35Å; F430-F434 WeakPolarHBondContact O-CB 3.42Å; F430-F434 WeakPolarHBondContact O-CD2 3.41Å; F430-F434 PolarHBondContact O-N 3.14Å
431L90.5Very high88Confident36 Ų3653 Ų5319%0.18826%0.261CS..Hα-helixtrans-52.3-51.8170.5176.166.9000111.1P255 F258 H259 D427 F429 I433 F435P255-L431 HydrophobicContact CB-CD1 4.08Å; P255-L431 WeakPolarHBondContact O-CD1 3.35Å; F258-L431 HydrophobicContact CB-CB 3.83Å; F258-L431 HydrophobicContact CB-CD1 4.22Å; H259-L431 HydrophobicContact CB-CD2 4.4Å; D427-L431 WeakPolarHBondContact O-CB 3.49Å; D427-L431 PolarHBondContact O-N 3.12Å; F429-L431 VanDerWaalsContact C-N 3.33Å; F429-L431 PolarHBondContact O-N 2.9Å; L431-I433 PolarHBondContact O-N 3.04Å; L431-F435 WeakPolarHBondContact O-CB 3.19Å; L431-F435 PolarHBondContact O-N 3.28Å
432G87.6Confident88.4Confident42 Ų4249.8 Ų49.843%0.43325%0.25SC..Hα-helixtrans-61.3-43.918000000112.8R428 F429 F430 S436R428-G432 PolarHBondContact O-N 3.1Å; F429-G432 PolarHBondContact O-N 2.86Å; F430-G432 VanDerWaalsContact C-N 3.34Å; F430-G432 PolarHBondContact O-N 3.38Å; G432-S436 WeakPolarHBondContact O-CB 3.48Å; G432-S436 PolarHBondContact O-N 3.34Å; G432-S436 PolarHBondContact O-OG 2.76Å; G432-S436 VanDerWaalsContact O-OG 3.11Å
433I90.6Very high88.6Confident62 Ų6254 Ų5432%0.31827%0.272SS..Hα-helixtrans-62.5-57.4178.2-66.6173.5000110.5F429 F430 L431 F435 S436 M437F429-I433 HydrophobicContact CD1-CD1 3.98Å; F429-I433 HydrophobicContact CD2-CD1 4.36Å; F429-I433 HydrophobicContact CE1-CD1 3.41Å; F429-I433 VanDerWaalsContact CE1-CD1 3.41Å; F429-I433 HydrophobicContact CE2-CD1 3.85Å; F429-I433 HydrophobicContact CG-CD1 4.45Å; F429-I433 HydrophobicContact CZ-CD1 3.37Å; F429-I433 HydrophobicContact CZ-CG1 4.49Å; F429-I433 PolarHBondContact O-N 2.92Å; F430-I433 PolarHBondContact O-N 2.96Å; L431-I433 PolarHBondContact O-N 3.04Å; I433-F435 VanDerWaalsContact C-N 3.33Å; I433-F435 PolarHBondContact O-N 3.12Å; I433-S436 PolarHBondContact O-N 2.8Å; I433-S436 PolarHBondContact O-OG 2.79Å; I433-M437 HydrophobicContact CG2-SD 4.1Å; I433-M437 WeakPolarHBondContact O-CG 3.43Å; I433-M437 PolarHBondContact O-N 2.89Å
434F92.1Very high88.8Confident6 Ų658.6 Ų58.63%0.02630%0.296CS..Hα-helixtrans-66.9-34.2-176.2-72.7-65.7000112.6P255 F258 M308 F311 L315 F430 A438P255-F434 HydrophobicContact CB-CB 4.33Å; P255-F434 HydrophobicContact CG-CB 4.24Å; F258-F434 HydrophobicContact CD2-CD2 4.21Å; F258-F434 HydrophobicContact CE2-CB 4.36Å; F258-F434 AromaticContact CE2-CD2 3.31Å; F258-F434 HydrophobicContact CE2-CD2 3.31Å; F258-F434 AromaticContact CE2-CE2 3.85Å; F258-F434 HydrophobicContact CE2-CE2 3.85Å; F258-F434 HydrophobicContact CE2-CG 4.07Å; F258-F434 AromaticContact CZ-CD2 3.67Å; F258-F434 HydrophobicContact CZ-CD2 3.67Å; F258-F434 AromaticContact CZ-CE2 3.71Å; F258-F434 HydrophobicContact CZ-CE2 3.71Å; M308-F434 HydrophobicContact CG-CD1 3.75Å; M308-F434 HydrophobicContact CG-CE1 4.09Å; M308-F434 HydrophobicContact SD-CD1 3.74Å; M308-F434 HydrophobicContact SD-CE1 4.42Å; F311-F434 AromaticContact CD1-CE1 3.92Å; F311-F434 HydrophobicContact CD1-CE1 3.92Å; F311-F434 AromaticContact CD1-CZ 3.54Å; F311-F434 HydrophobicContact CD1-CZ 3.54Å; F311-F434 AromaticContact CE1-CZ 3.93Å; F311-F434 HydrophobicContact CE1-CZ 3.93Å; L315-F434 HydrophobicContact CD1-CE2 3.7Å; L315-F434 HydrophobicContact CD1-CZ 3.66Å; F430-F434 HydrophobicContact CB-CD2 4.02Å; F430-F434 HydrophobicContact CB-CE2 4.04Å; F430-F434 HydrophobicContact CD1-CE2 4Å; F430-F434 HydrophobicContact CG-CE2 4.35Å; F430-F434 WeakPolarHBondContact O-CB 3.42Å; F430-F434 WeakPolarHBondContact O-CD2 3.41Å; F430-F434 PolarHBondContact O-N 3.14Å; F434-A438 VanDerWaalsContact O-CB 3.25Å; F434-A438 WeakPolarHBondContact O-CB 3.36Å; F434-A438 PolarHBondContact O-N 3.48Å
435F91.8Very high88.8Confident90 Ų9052.6 Ų52.640%0.39528%0.275SS..Hα-helixtrans-65.2-46.6174.3-173.4-95.2000111.7P255 L431 I433 M437 A438 L439P255-F435 HydrophobicContact CB-CB 3.99Å; P255-F435 HydrophobicContact CB-CD2 4.27Å; P255-F435 HydrophobicContact CG-CB 4.31Å; P255-F435 HydrophobicContact CG-CD2 4.47Å; L431-F435 WeakPolarHBondContact O-CB 3.19Å; L431-F435 PolarHBondContact O-N 3.28Å; I433-F435 VanDerWaalsContact C-N 3.33Å; I433-F435 PolarHBondContact O-N 3.12Å; F435-M437 PolarHBondContact O-N 2.89Å; F435-A438 PolarHBondContact O-N 3.22Å; F435-L439 HydrophobicContact CE1-CD1 3.99Å; F435-L439 HydrophobicContact CZ-CD1 4.23Å; F435-L439 VanDerWaalsContact O-CB 3.24Å; F435-L439 WeakPolarHBondContact O-CB 3.47Å; F435-L439 PolarHBondContact O-N 3.39Å
436S90.4Very high88.7Confident60 Ų6055.5 Ų55.542%0.4229%0.29SS..Hα-helixtrans-62.7-42.6176.1690000111.9G432 I433 L439 V440G432-S436 WeakPolarHBondContact O-CB 3.48Å; G432-S436 PolarHBondContact O-N 3.34Å; G432-S436 PolarHBondContact O-OG 2.76Å; G432-S436 VanDerWaalsContact O-OG 3.11Å; I433-S436 PolarHBondContact O-N 2.8Å; I433-S436 PolarHBondContact O-OG 2.79Å; S436-L439 PolarHBondContact O-N 3.07Å; S436-V440 WeakPolarHBondContact O-CB 3.3Å; S436-V440 VanDerWaalsContact O-CG2 3.24Å; S436-V440 WeakPolarHBondContact O-CG2 3.34Å; S436-V440 PolarHBondContact O-N 3.11Å
437M91.6Very high88.6Confident94 Ų9459.1 Ų59.146%0.46331%0.313SS..Hα-helixtrans-61.8-48.3175.5-73.7-1747100111.9I433 F435 L439 V440 M441I433-M437 HydrophobicContact CG2-SD 4.1Å; I433-M437 WeakPolarHBondContact O-CG 3.43Å; I433-M437 PolarHBondContact O-N 2.89Å; F435-M437 PolarHBondContact O-N 2.89Å; M437-L439 VanDerWaalsContact C-N 3.32Å; M437-L439 PolarHBondContact O-N 3.14Å; M437-V440 PolarHBondContact O-N 3.03Å; M437-M441 WeakPolarHBondContact O-CB 3.18Å; M437-M441 VanDerWaalsContact O-CG 3.23Å; M437-M441 WeakPolarHBondContact O-CG 3.33Å; M437-M441 PolarHBondContact O-N 3.46Å
438A90.7Very high87.9Confident3 Ų363.8 Ų63.83%0.02534%0.335CS..Hα-helixtrans-61.5-41.1178.900000111.7P255 M308 F434 F435 S442P255-A438 HydrophobicContact CG-CB 4.16Å; M308-A438 HydrophobicContact CE-CB 4.14Å; F434-A438 VanDerWaalsContact O-CB 3.25Å; F434-A438 WeakPolarHBondContact O-CB 3.36Å; F434-A438 PolarHBondContact O-N 3.48Å; F435-A438 PolarHBondContact O-N 3.22Å; A438-S442 VanDerWaalsContact O-CB 3.28Å; A438-S442 WeakPolarHBondContact O-CB 3.25Å; A438-S442 PolarHBondContact O-N 3.11Å; A438-S442 PolarHBondContact O-OG 3.1Å
439L90.3Very high87Confident71 Ų7158.6 Ų58.637%0.37232%0.319SS..Hα-helixtrans-68.4-44.8178.9-172.7135.7000112.1F435 S436 M437 S442 L443F435-L439 HydrophobicContact CE1-CD1 3.99Å; F435-L439 HydrophobicContact CZ-CD1 4.23Å; F435-L439 VanDerWaalsContact O-CB 3.24Å; F435-L439 WeakPolarHBondContact O-CB 3.47Å; F435-L439 PolarHBondContact O-N 3.39Å; S436-L439 PolarHBondContact O-N 3.07Å; M437-L439 VanDerWaalsContact C-N 3.32Å; M437-L439 PolarHBondContact O-N 3.14Å; L439-S442 PolarHBondContact O-N 2.94Å; L439-L443 HydrophobicContact CD2-CD1 3.53Å; L439-L443 HydrophobicContact CD2-CG 4.49Å; L439-L443 HydrophobicContact CG-CD1 4.21Å; L439-L443 WeakPolarHBondContact O-CB 3.44Å; L439-L443 WeakPolarHBondContact O-CG 3.45Å; L439-L443 PolarHBondContact O-N 3.48Å
440V91Very high85.9Confident77 Ų7764.9 Ų64.947%0.46736%0.355SS..Hα-helixtrans-63.1-46.8176.2170.10000110.8S436 M437 S442 L443 L444S436-V440 WeakPolarHBondContact O-CB 3.3Å; S436-V440 VanDerWaalsContact O-CG2 3.24Å; S436-V440 WeakPolarHBondContact O-CG2 3.34Å; S436-V440 PolarHBondContact O-N 3.11Å; M437-V440 PolarHBondContact O-N 3.03Å; V440-S442 VanDerWaalsContact C-N 3.35Å; V440-S442 PolarHBondContact O-N 3.41Å; V440-L443 PolarHBondContact O-N 3.48Å; V440-L444 HydrophobicContact CG1-CD1 3.95Å; V440-L444 HydrophobicContact CG1-CG 4.36Å; V440-L444 VanDerWaalsContact O-CG 3.29Å; V440-L444 WeakPolarHBondContact O-CG 3.4Å; V440-L444 PolarHBondContact O-N 2.95Å
441M89.3Confident85.7Confident66 Ų6666.2 Ų66.233%0.32536%0.364SS..Hα-helixtrans-61.2-43.4177.7-72-63.5-62.900111.9Y301 A304 M437 L444 V445Y301-M441 HydrophobicContact CD2-CE 4.4Å; Y301-M441 HydrophobicContact CE2-CB 4.28Å; A304-M441 HydrophobicContact CB-CE 3.73Å; M437-M441 WeakPolarHBondContact O-CB 3.18Å; M437-M441 VanDerWaalsContact O-CG 3.23Å; M437-M441 WeakPolarHBondContact O-CG 3.33Å; M437-M441 PolarHBondContact O-N 3.46Å; M441-L444 PolarHBondContact O-N 3.39Å; M441-V445 WeakPolarHBondContact O-CG2 3.45Å; M441-V445 PolarHBondContact O-N 3.18Å
442S88.4Confident85.4Confident6 Ų667.8 Ų67.84%0.04237%0.374CS..Hα-helixtrans-63.6-44.5177.1-61.50000111.7S251 A438 L439 V440 V445 L446S251-S442 PolarHBondContact OG-OG 3.37Å; A438-S442 VanDerWaalsContact O-CB 3.28Å; A438-S442 WeakPolarHBondContact O-CB 3.25Å; A438-S442 PolarHBondContact O-N 3.11Å; A438-S442 PolarHBondContact O-OG 3.1Å; L439-S442 PolarHBondContact O-N 2.94Å; V440-S442 VanDerWaalsContact C-N 3.35Å; V440-S442 PolarHBondContact O-N 3.41Å; S442-V445 PolarHBondContact O-N 3.33Å; S442-L446 WeakPolarHBondContact O-CB 3.48Å; S442-L446 WeakPolarHBondContact O-CD1 3.45Å; S442-L446 PolarHBondContact O-N 3.11Å
443L87.9Confident85.3Confident93 Ų9369.2 Ų69.249%0.48737%0.37SS..Hα-helixtrans-63.4-43.1177.8-79169.6000112.2L439 V440 V445 L446 V447L439-L443 HydrophobicContact CD2-CD1 3.53Å; L439-L443 HydrophobicContact CD2-CG 4.49Å; L439-L443 HydrophobicContact CG-CD1 4.21Å; L439-L443 WeakPolarHBondContact O-CB 3.44Å; L439-L443 WeakPolarHBondContact O-CG 3.45Å; L439-L443 PolarHBondContact O-N 3.48Å; V440-L443 PolarHBondContact O-N 3.48Å; L443-V445 VanDerWaalsContact C-N 3.29Å; L443-V445 PolarHBondContact O-N 3.46Å; L443-L446 PolarHBondContact O-N 2.85Å; L443-V447 WeakPolarHBondContact O-CB 3.44Å; L443-V447 VanDerWaalsContact O-CG2 3.23Å; L443-V447 WeakPolarHBondContact O-CG2 3.25Å; L443-V447 PolarHBondContact O-N 2.76Å
444L86.8Confident85Confident100 Ų10069.6 Ų69.652%0.52437%0.374SS..Hα-helixtrans-58.8-42.8178.4-74.5171.2000111.6V440 M441 Q448V440-L444 HydrophobicContact CG1-CD1 3.95Å; V440-L444 HydrophobicContact CG1-CG 4.36Å; V440-L444 VanDerWaalsContact O-CG 3.29Å; V440-L444 WeakPolarHBondContact O-CG 3.4Å; V440-L444 PolarHBondContact O-N 2.95Å; M441-L444 PolarHBondContact O-N 3.39Å; L444-Q448 WeakPolarHBondContact O-CG 3.43Å; L444-Q448 PolarHBondContact O-N 2.93Å; L444-Q448 VanDerWaalsContact O-N 3.09Å
445V84.2Confident84.5Confident17 Ų1773.6 Ų73.610%0.10340%0.395CS..Hα-helixtrans-71.8-40.4178.7178.10000111.8L244 Y301 M441 S442 L443 V447 Q448 A449L244-V445 HydrophobicContact CD1-CG1 3.61Å; L244-V445 HydrophobicContact CD2-CG1 4.15Å; Y301-V445 HydrophobicContact CD2-CB 4.45Å; Y301-V445 HydrophobicContact CD2-CG2 3.5Å; Y301-V445 HydrophobicContact CE2-CG2 4.17Å; Y301-V445 HydrophobicContact CG-CG2 3.86Å; M441-V445 WeakPolarHBondContact O-CG2 3.45Å; M441-V445 PolarHBondContact O-N 3.18Å; S442-V445 PolarHBondContact O-N 3.33Å; L443-V445 VanDerWaalsContact C-N 3.29Å; L443-V445 PolarHBondContact O-N 3.46Å; V445-V447 VanDerWaalsContact C-N 3.34Å; V445-V447 PolarHBondContact O-N 3.48Å; V445-Q448 PolarHBondContact O-N 3.34Å; V445-A449 WeakPolarHBondContact O-CB 3.35Å; V445-A449 PolarHBondContact O-N 3Å
446L81.1Confident84.1Confident65 Ų6572.5 Ų72.534%0.3440%0.395SS..Hα-helixtrans-64.1-37175.2-92.8145.8000112.6V248 S442 L443 A449 L450V248-L446 HydrophobicContact CG2-CD1 4.35Å; S442-L446 WeakPolarHBondContact O-CB 3.48Å; S442-L446 WeakPolarHBondContact O-CD1 3.45Å; S442-L446 PolarHBondContact O-N 3.11Å; L443-L446 PolarHBondContact O-N 2.85Å; L446-A449 WeakPolarHBondContact O-CB 3.48Å; L446-A449 PolarHBondContact O-N 3.48Å; L446-L450 PolarHBondContact O-N 2.78Å
447V83.8Confident83.6Confident100 Ų10073.4 Ų73.461%0.60639%0.394SS*.Hα-helixtrans-69.6-36.2175.7169.20000111.3L443 V445 A449L443-V447 WeakPolarHBondContact O-CB 3.44Å; L443-V447 VanDerWaalsContact O-CG2 3.23Å; L443-V447 WeakPolarHBondContact O-CG2 3.25Å; L443-V447 PolarHBondContact O-N 2.76Å; V445-V447 VanDerWaalsContact C-N 3.34Å; V445-V447 PolarHBondContact O-N 3.48Å; V447-A449 PolarHBondContact O-N 2.84Å
448Q74.2Confident83Confident113 Ų11371.8 Ų71.853%0.52839%0.388SS..Hα-helixtrans-72.2-15172.5-72.6-176.3-39.800113.1L297 L444 V445L297-Q448 HydrophobicContact CD2-CB 4.25Å; L444-Q448 WeakPolarHBondContact O-CG 3.43Å; L444-Q448 PolarHBondContact O-N 2.93Å; L444-Q448 VanDerWaalsContact O-N 3.09Å; V445-Q448 PolarHBondContact O-N 3.34Å
449A67.6Low82.4Confident20 Ų2077.6 Ų77.617%0.16542%0.418CS..Hα-helixtrans-91.1-16.7178.700000114.6F163 L244 V445 L446 V447F163-A449 HydrophobicContact CE1-CB 4.1Å; F163-A449 WeakPolarHBondContact CE1-O 3.47Å; F163-A449 VanDerWaalsContact CE2-CA 3.4Å; F163-A449 HydrophobicContact CE2-CB 3.48Å; F163-A449 VanDerWaalsContact CE2-CB 3.48Å; F163-A449 HydrophobicContact CZ-CB 3.2Å; F163-A449 WeakPolarHBondContact CZ-O 3.44Å; L244-A449 HydrophobicContact CD2-CB 4.42Å; V445-A449 WeakPolarHBondContact O-CB 3.35Å; V445-A449 PolarHBondContact O-N 3Å; L446-A449 WeakPolarHBondContact O-CB 3.48Å; L446-A449 PolarHBondContact O-N 3.48Å; V447-A449 PolarHBondContact O-N 2.84Å
450L63.7Low81.6Confident203 Ų20378.2 Ų78.2100%1.06342%0.423SS*.  trans-98.60177.1-98.8135.7000110L446L446-L450 PolarHBondContact O-N 2.78Å

Retrieved 450 of 450 residues in 194.5 ms (Link to these results)