A0A3Q0KHX9_SCHMA Loading...

Myb-like protein AA

AlphaFold DB , UniProt , Accession A0A3Q0KHX9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 256 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M50.7Low57.3Low242 Ų242144.7 Ų144.7100%1.19282%0.818SS**  0128.10-61.3-172.393.400107.7
2S50.8Low57.5Low120 Ų120146.1 Ų146.184%0.83982%0.818SS**  trans46.8143.9164.6-71.30000120.7
3S48.2Very low57.2Low90 Ų90143.5 Ų143.563%0.62982%0.816SS**  cis169119.2-17.348.40000104.8
4T63Low57.1Low135 Ų135149.2 Ų149.283%0.82882%0.818SS**  trans-156.993.7159.745.30000109.6
5H57.8Low57Low173 Ų173147.9 Ų147.980%0.80182%0.816SS**  96.493.7102.2-83.444.6000112.8
6S60.7Low56.7Low115 Ų115145.9 Ų145.980%0.80481%0.81SS**  trans-78.5121.9170.3175.40000109.9R8S6-R8 PolarHBondContact O-N 3.18Å
7N61.8Low56.5Low160 Ų160143.9 Ų143.986%0.85681%0.808SS**  trans-78.894.2170.5-77.2-41.6000109.4S9N7-S9 PolarHBondContact O-N 3.27Å
8R52.6Low56Low218 Ų218142.8 Ų142.882%0.82381%0.805SS**  trans-82.4100168.3-175.5176.6-177.1-154.61.1108.8S6 T10S6-R8 PolarHBondContact O-N 3.18Å; R8-T10 PolarHBondContact O-N 3.42Å
9S59.2Low56Low114 Ų114141.5 Ų141.580%0.79780%0.801SS**  trans-73.8107.3165.1-65.90000109.3N7N7-S9 PolarHBondContact O-N 3.27Å
10T62Low55.8Low102 Ų102140.6 Ų140.663%0.62680%0.799SS**PPolyproline II helixtrans-72.3130166.147.60000109.6R8 I12R8-T10 PolarHBondContact O-N 3.42Å; T10-I12 PolarHBondContact O-N 2.92Å
11P63.9Low55.8Low123 Ų123139.4 Ų139.480%0.79979%0.794SS**PPolyproline II helixtrans-72.5123.2166.328.7-28.6000108.7S13P11-S13 PolarHBondContact O-N 3.23Å
12I59.2Low56.1Low161 Ų161133.8 Ų133.883%0.82677%0.774SS**PPolyproline II helixtrans-62.4117.6170.3-77.1168.2000108.2T10 R14T10-I12 PolarHBondContact O-N 2.92Å; I12-R14 PolarHBondContact O-N 2.95Å
13S53.4Low56.1Low112 Ų112134 Ų13478%0.78377%0.77SS**  trans-58.4104.4167.5-66.60000109.4P11 T15P11-S13 PolarHBondContact O-N 3.23Å; S13-T15 PolarHBondContact O-N 3.39Å
14R55.4Low56.5Low224 Ų224138.9 Ų138.985%0.84578%0.78SS**  trans-76.7103.1168.9-174.9175.9-70.9-126.5-1107.5I12 T16I12-R14 PolarHBondContact O-N 2.95Å; R14-T16 PolarHBondContact O-N 3.03Å; R14-T16 VanDerWaalsContact O-N 3.09Å
15T56.9Low55.8Low129 Ų129138.9 Ų138.979%0.79178%0.78SS**  trans-60.1108.8165.549.30000108.4S13 S17S13-T15 PolarHBondContact O-N 3.39Å; T15-S17 PolarHBondContact O-N 3.25Å
16T52.3Low55.6Low117 Ų117136.5 Ų136.572%0.71878%0.778SS**  trans-74.5103.8167.947.10000108R14 T18R14-T16 PolarHBondContact O-N 3.03Å; R14-T16 VanDerWaalsContact O-N 3.09Å; T16-T18 PolarHBondContact O-N 3.24Å; T16-T18 VanDerWaalsContact O-N 3.14Å
17S52Low55Low111 Ų111136.5 Ų136.578%0.77677%0.773SS**  trans-69102.3159.948.40000107.6T15 T19T15-S17 PolarHBondContact O-N 3.25Å; S17-T19 PolarHBondContact O-N 2.87Å
18T48.7Very low54.2Low124 Ų124135.3 Ų135.376%0.76177%0.772SS**  trans-63.499.5174.4-49.10000109.1T16T16-T18 PolarHBondContact O-N 3.24Å; T16-T18 VanDerWaalsContact O-N 3.14Å
19T56.1Low53.9Low118 Ų118131.3 Ų131.372%0.72477%0.772SS**  trans-87.2115.6159.6-47.50000106.9S17 T21S17-T19 PolarHBondContact O-N 2.87Å; T19-T21 PolarHBondContact O-N 2.92Å
20T50.3Low53.1Low123 Ų123130.2 Ų130.276%0.75577%0.77SS**  trans-60.397.9175.6-44.70000109.2
21T57.4Low52.4Low116 Ų116137.2 Ų137.271%0.71279%0.786SS**  trans-99.3110.6165.8-490000107.8T19 T23T19-T21 PolarHBondContact O-N 2.92Å; T21-T23 PolarHBondContact O-N 3.34Å
22T56.3Low51.5Low124 Ų124135.4 Ų135.476%0.76178%0.777SS**  trans-59102.8176.5-39.90000109.7K24T22-K24 PolarHBondContact O-N 3.24Å
23T50.9Low51.5Low124 Ų124137.9 Ų137.976%0.76178%0.777SS**  trans-75.6105171.550.20000109.2T21 T25T21-T23 PolarHBondContact O-N 3.34Å; T23-T25 PolarHBondContact O-N 3.46Å
24K56.3Low52Low194 Ų194139.9 Ų139.984%0.84377%0.774SS**  trans-81.2106.3156.5-86.9-176.1175-178.20107.8T22 T26T22-K24 PolarHBondContact O-N 3.24Å; K24-T26 PolarHBondContact O-N 2.91Å
25T48.4Very low52.5Low135 Ų135137.4 Ų137.483%0.82877%0.772SS**  trans-68.1112.9164.638.60000109.4T23T23-T25 PolarHBondContact O-N 3.46Å
26T54.3Low53.1Low122 Ų122134.4 Ų134.475%0.74876%0.755SS**  trans-128.5101.2163.214.60000108.2K24K24-T26 PolarHBondContact O-N 2.91Å
27T47.9Very low54.6Low115 Ų115133.3 Ų133.371%0.70675%0.745SS**  trans21.6105.4136.314.60000117.6T29T27-T29 PolarHBondContact O-N 3.42Å
28T45.3Very low56.2Low136 Ų136136.6 Ų136.683%0.83475%0.745SS**  trans4.797141.138.70000117.2
29T45.3Very low57.9Low134 Ų134137 Ų13782%0.82274%0.738SS**  trans-149.6130.9156.241.30000110.2T27T27-T29 PolarHBondContact O-N 3.42Å
30A43.2Very low59.5Low90 Ų90133.8 Ų133.874%0.74472%0.721SS**SBendtrans21.9120.7162.500000120.2S32A30-S32 PolarHBondContact O-N 3.49Å
31Y47.6Very low61.3Low249 Ų249131.9 Ų131.998%0.97671%0.705SS**  trans-11.485161.9-68-86.6000116
32S44.3Very low62.9Low86 Ų86128.6 Ų128.660%0.60169%0.69SS**  trans-86113.6168.7-179.80000108.7A30 E34A30-S32 PolarHBondContact O-N 3.49Å; S32-E34 PolarHBondContact O-N 2.97Å; S32-E34 PolarHBondContact OG-OE1 3.49Å; S32-E34 VanDerWaalsContact OG-OE1 3.04Å
33Y58.7Low64.7Low213 Ų213124.8 Ų124.884%0.83567%0.671SS**  trans-73.582.8170.8-146.9-90.7000107.2H35Y33-H35 PolarHBondContact O-N 2.93Å
34E63.2Low66.7Low154 Ų154122.5 Ų122.572%0.7266%0.657SS**  trans-56.9109.4174-67.3-69128.500108.1S32 P36S32-E34 PolarHBondContact O-N 2.97Å; S32-E34 PolarHBondContact OG-OE1 3.49Å; S32-E34 VanDerWaalsContact OG-OE1 3.04Å; E34-P36 WeakPolarHBondContact O-CD 3.26Å
35H65.8Low68.6Low171 Ų171119.9 Ų119.979%0.79265%0.646SS**PPolyproline II helixtrans-57.6121.6174.9-97.3-76.3000107.9Y33 D37Y33-H35 PolarHBondContact O-N 2.93Å; H35-D37 PolarHBondContact O-N 3.42Å
36P70.6Confident70.8Confident67 Ų67119.5 Ų119.544%0.43564%0.637SS.*PPolyproline II helixtrans-57133.5176.222.4-30.9000108.2E34E34-P36 WeakPolarHBondContact O-CD 3.26Å
37D83Confident72.8Confident94 Ų94118.8 Ų118.850%0.50363%0.626SS.*PPolyproline II helixtrans-53.3159.8170.960.112.1000110.3H35 E39 S40 L41H35-D37 PolarHBondContact O-N 3.42Å; D37-E39 PolarHBondContact O-N 3.4Å; D37-E39 VanDerWaalsContact O-N 3.11Å; D37-S40 PolarHBondContact O-N 2.85Å; D37-S40 VanDerWaalsContact O-N 3.09Å; D37-S40 WeakPolarHBondContact OD1-CA 3.31Å; D37-S40 WeakPolarHBondContact OD1-CB 3.39Å; D37-S40 PolarHBondContact OD1-N 2.91Å; D37-L41 PolarHBondContact O-N 3.21Å
38K86.3Confident75Confident179 Ų179116.1 Ų116.178%0.77862%0.615SS**Hα-helixtrans-58.4-31.9-174-69.5177.7-179.21740110.6A42K38-A42 WeakPolarHBondContact O-CB 3.15Å; K38-A42 PolarHBondContact O-N 2.99Å
39E84.9Confident77.5Confident132 Ų132111.6 Ų111.662%0.61760%0.595SS**Hα-helixtrans-64.4-48.7176.5-65.374-165.500111.8D37 A42 A43D37-E39 PolarHBondContact O-N 3.4Å; D37-E39 VanDerWaalsContact O-N 3.11Å; E39-A42 PolarHBondContact O-N 3.43Å; E39-A43 WeakPolarHBondContact O-CB 3.46Å; E39-A43 PolarHBondContact O-N 2.91Å
40S88.7Confident79.9Confident52 Ų52112.6 Ų112.636%0.36459%0.585SS.*Hα-helixtrans-65.7-40176.7176.80000112D37 A42 A43 T44D37-S40 PolarHBondContact O-N 2.85Å; D37-S40 VanDerWaalsContact O-N 3.09Å; D37-S40 WeakPolarHBondContact OD1-CA 3.31Å; D37-S40 WeakPolarHBondContact OD1-CB 3.39Å; D37-S40 PolarHBondContact OD1-N 2.91Å; S40-A42 PolarHBondContact O-N 2.83Å; S40-A43 PolarHBondContact O-N 3.41Å; S40-T44 WeakPolarHBondContact O-CB 3.38Å; S40-T44 PolarHBondContact O-N 3.27Å; S40-T44 PolarHBondContact O-OG1 3.34Å
41L88Confident82.4Confident83 Ų83116.8 Ų116.844%0.43558%0.582SS.*Hα-helixtrans-63.2-42.2173.6-17666.7000111.3D37 T44 K45D37-L41 PolarHBondContact O-N 3.21Å; L41-T44 PolarHBondContact O-N 2.97Å; L41-K45 WeakPolarHBondContact O-CG 3.46Å; L41-K45 PolarHBondContact O-N 3.07Å
42A91.7Very high84.6Confident47 Ų47105.8 Ų105.839%0.38854%0.544SS..Hα-helixtrans-63.8-45.117600000111.7K38 E39 S40 T44 K45 I46K38-A42 WeakPolarHBondContact O-CB 3.15Å; K38-A42 PolarHBondContact O-N 2.99Å; E39-A42 PolarHBondContact O-N 3.43Å; S40-A42 PolarHBondContact O-N 2.83Å; A42-T44 PolarHBondContact O-N 3.45Å; A42-K45 WeakPolarHBondContact O-CB 3.36Å; A42-K45 PolarHBondContact O-N 3.3Å; A42-I46 WeakPolarHBondContact O-CG1 3.34Å; A42-I46 PolarHBondContact O-N 2.91Å
43A93.3Very high87.1Confident44 Ų44107.3 Ų107.336%0.36454%0.537SS..Hα-helixtrans-59.8-44.9176.200000111.7E39 S40 K45 I46 Q47E39-A43 WeakPolarHBondContact O-CB 3.46Å; E39-A43 PolarHBondContact O-N 2.91Å; S40-A43 PolarHBondContact O-N 3.41Å; A43-K45 VanDerWaalsContact C-N 3.32Å; A43-K45 PolarHBondContact O-N 3.21Å; A43-I46 PolarHBondContact O-N 3.29Å; A43-Q47 WeakPolarHBondContact O-CB 3.34Å; A43-Q47 VanDerWaalsContact O-CG 3.27Å; A43-Q47 WeakPolarHBondContact O-CG 3.44Å; A43-Q47 PolarHBondContact O-N 3.09Å
44T93.1Very high88.7Confident76 Ų7699.5 Ų99.547%0.46651%0.513SS..Hα-helixtrans-59.5-42.1176.6-59.40000111.5S40 L41 A42 Q47 A48S40-T44 WeakPolarHBondContact O-CB 3.38Å; S40-T44 PolarHBondContact O-N 3.27Å; S40-T44 PolarHBondContact O-OG1 3.34Å; L41-T44 PolarHBondContact O-N 2.97Å; A42-T44 PolarHBondContact O-N 3.45Å; T44-Q47 PolarHBondContact O-N 3.14Å; T44-A48 WeakPolarHBondContact O-CB 3.41Å; T44-A48 PolarHBondContact O-N 3.33Å
45K95.9Very high90Very high138 Ų13896 Ų9660%0.650%0.503SS*.Hα-helixtrans-63.5-44.6176.3-74173.7-179.3177.70112.4L41 A42 A43 A48 G49L41-K45 WeakPolarHBondContact O-CG 3.46Å; L41-K45 PolarHBondContact O-N 3.07Å; A42-K45 WeakPolarHBondContact O-CB 3.36Å; A42-K45 PolarHBondContact O-N 3.3Å; A43-K45 VanDerWaalsContact C-N 3.32Å; A43-K45 PolarHBondContact O-N 3.21Å; K45-A48 PolarHBondContact O-N 3.33Å; K45-G49 PolarHBondContact O-N 3.36Å
46I95.7Very high91.1Very high127 Ų12795.5 Ų95.565%0.65149%0.494SS*.Hα-helixtrans-62-46.8177.5-68.4169.9000110.3A42 A43 A48 G49 Y50A42-I46 WeakPolarHBondContact O-CG1 3.34Å; A42-I46 PolarHBondContact O-N 2.91Å; A43-I46 PolarHBondContact O-N 3.29Å; I46-A48 PolarHBondContact O-N 3.4Å; I46-G49 PolarHBondContact O-N 2.98Å; I46-Y50 WeakPolarHBondContact O-CB 3.48Å; I46-Y50 PolarHBondContact O-N 2.96Å
47Q95.4Very high91.9Very high108 Ų10899.4 Ų99.451%0.50550%0.504SS..Hα-helixtrans-62.1-44.3178.6-71173.8-9.200112A43 T44 Y50 R51A43-Q47 WeakPolarHBondContact O-CB 3.34Å; A43-Q47 VanDerWaalsContact O-CG 3.27Å; A43-Q47 WeakPolarHBondContact O-CG 3.44Å; A43-Q47 PolarHBondContact O-N 3.09Å; T44-Q47 PolarHBondContact O-N 3.14Å; Q47-Y50 PolarHBondContact O-N 3.11Å; Q47-R51 WeakPolarHBondContact O-CB 3.47Å; Q47-R51 VanDerWaalsContact O-CG 3.25Å; Q47-R51 WeakPolarHBondContact O-CG 3.32Å; Q47-R51 PolarHBondContact O-N 3.07Å
48A96Very high92.1Very high59 Ų59102.2 Ų102.249%0.48851%0.512SS..Hα-helixtrans-61.7-43.7175.800000111.6T44 K45 I46 R51 G52T44-A48 WeakPolarHBondContact O-CB 3.41Å; T44-A48 PolarHBondContact O-N 3.33Å; K45-A48 PolarHBondContact O-N 3.33Å; I46-A48 PolarHBondContact O-N 3.4Å; A48-R51 PolarHBondContact O-N 3.48Å; A48-G52 PolarHBondContact O-N 2.87Å
49G96.4Very high92Very high40 Ų4099.3 Ų99.341%0.41250%0.496SS..Hα-helixtrans-59.1-46175.200000112.7K45 I46 G52 Y53K45-G49 PolarHBondContact O-N 3.36Å; I46-G49 PolarHBondContact O-N 2.98Å; G49-G52 PolarHBondContact O-N 3.24Å; G49-Y53 WeakPolarHBondContact O-CB 3.25Å; G49-Y53 PolarHBondContact O-N 3.34Å
50Y97Very high91.3Very high156 Ų15694.8 Ų94.861%0.61249%0.485SS*.Hα-helixtrans-66.9-45.2178.6-176-104.2000112.5I46 Q47 G52 Y53 C54I46-Y50 WeakPolarHBondContact O-CB 3.48Å; I46-Y50 PolarHBondContact O-N 2.96Å; Q47-Y50 PolarHBondContact O-N 3.11Å; Y50-G52 VanDerWaalsContact C-N 3.29Å; Y50-G52 PolarHBondContact O-N 3.42Å; Y50-Y53 WeakPolarHBondContact O-CB 3.39Å; Y50-Y53 PolarHBondContact O-N 3.38Å; Y50-Y53 VanDerWaalsContact O-N 3.15Å; Y50-C54 VanDerWaalsContact CE1-SG 3.55Å; Y50-C54 VanDerWaalsContact CZ-SG 3.54Å; Y50-C54 PolarHBondContact O-N 3.45Å; Y50-C54 PolarHBondContact O-SG 3.34Å; Y50-C54 VanDerWaalsContact O-SG 3.36Å
51R95.1Very high90Very high178 Ų17898.7 Ų98.767%0.67250%0.502SS*.Hα-helixtrans-56.2-45.5173.7-71.8173.3-172.3-135.35.4110.8Q47 A48 C54 T55Q47-R51 WeakPolarHBondContact O-CB 3.47Å; Q47-R51 VanDerWaalsContact O-CG 3.25Å; Q47-R51 WeakPolarHBondContact O-CG 3.32Å; Q47-R51 PolarHBondContact O-N 3.07Å; A48-R51 PolarHBondContact O-N 3.48Å; R51-C54 PolarHBondContact O-N 3.18Å; R51-T55 PolarHBondContact O-N 2.9Å; R51-T55 PolarHBondContact O-OG1 3.06Å; R51-T55 VanDerWaalsContact O-OG1 3.13Å
52G94.6Very high88.6Confident18 Ų1899.8 Ų99.819%0.18651%0.508CS..Hα-helixtrans-63.3-41.8175.500000113.3A48 G49 Y50 T55 R56A48-G52 PolarHBondContact O-N 2.87Å; G49-G52 PolarHBondContact O-N 3.24Å; Y50-G52 VanDerWaalsContact C-N 3.29Å; Y50-G52 PolarHBondContact O-N 3.42Å; G52-T55 PolarHBondContact O-N 2.92Å; G52-R56 VanDerWaalsContact C-CZ 3.45Å; G52-R56 WeakPolarHBondContact O-CB 3.47Å; G52-R56 WeakPolarHBondContact O-CG 3.31Å; G52-R56 PolarHBondContact O-N 3.37Å; G52-R56 PolarHBondContact O-NH1 3.5Å
53Y94.8Very high86.9Confident117 Ų117102.3 Ų102.346%0.45952%0.523SS..Hα-helixtrans-61-46.3175.1169.6-96.5000111.5G49 Y50 T55 R56 K57G49-Y53 WeakPolarHBondContact O-CB 3.25Å; G49-Y53 PolarHBondContact O-N 3.34Å; Y50-Y53 WeakPolarHBondContact O-CB 3.39Å; Y50-Y53 PolarHBondContact O-N 3.38Å; Y50-Y53 VanDerWaalsContact O-N 3.15Å; Y53-T55 PolarHBondContact O-N 2.99Å; Y53-R56 PolarHBondContact O-N 2.99Å; Y53-K57 HydrophobicContact CE1-CD 3.94Å; Y53-K57 VanDerWaalsContact O-CB 3.26Å; Y53-K57 WeakPolarHBondContact O-CB 3.24Å; Y53-K57 PolarHBondContact O-N 3.45Å; Y53-K57 PolarHBondContact OH-NZ 3.09Å
54C92.3Very high85.1Confident49 Ų49106.9 Ų106.933%0.33154%0.54SS..Hα-helixtrans-60.1-45.3177.1-70.90000111.9Y50 R51 K57 K58Y50-C54 VanDerWaalsContact CE1-SG 3.55Å; Y50-C54 VanDerWaalsContact CZ-SG 3.54Å; Y50-C54 PolarHBondContact O-N 3.45Å; Y50-C54 PolarHBondContact O-SG 3.34Å; Y50-C54 VanDerWaalsContact O-SG 3.36Å; R51-C54 PolarHBondContact O-N 3.18Å; C54-K57 PolarHBondContact O-N 2.95Å; C54-K58 WeakPolarHBondContact O-CB 3.2Å; C54-K58 PolarHBondContact O-N 3.32Å
55T90.8Very high83.1Confident81 Ų81109.6 Ų109.650%0.49755%0.552SS.*Hα-helixtrans-60.6-50.3175.2-61.80000111.3R51 G52 Y53 K57 K58 Y59R51-T55 PolarHBondContact O-N 2.9Å; R51-T55 PolarHBondContact O-OG1 3.06Å; R51-T55 VanDerWaalsContact O-OG1 3.13Å; G52-T55 PolarHBondContact O-N 2.92Å; Y53-T55 PolarHBondContact O-N 2.99Å; T55-K57 VanDerWaalsContact C-N 3.3Å; T55-K57 PolarHBondContact O-N 3.01Å; T55-K58 PolarHBondContact O-N 2.62Å; T55-Y59 HydrophobicContact CG2-CD2 3.7Å; T55-Y59 HydrophobicContact CG2-CE2 3.97Å; T55-Y59 WeakPolarHBondContact O-CD2 3.23Å; T55-Y59 PolarHBondContact O-N 2.99Å
56R89.3Confident81.1Confident161 Ų161107.9 Ų107.961%0.60856%0.558SS**Hα-helixtrans-65.1-31.8178.5-72.1-174.6-62.3-86.60.5112.7G52 Y53 G60G52-R56 VanDerWaalsContact C-CZ 3.45Å; G52-R56 WeakPolarHBondContact O-CB 3.47Å; G52-R56 WeakPolarHBondContact O-CG 3.31Å; G52-R56 PolarHBondContact O-N 3.37Å; G52-R56 PolarHBondContact O-NH1 3.5Å; Y53-R56 PolarHBondContact O-N 2.99Å; R56-G60 WeakPolarHBondContact O-CA 3.28Å; R56-G60 PolarHBondContact O-N 3.02Å
57K88.6Confident78.9Confident148 Ų148106.6 Ų106.664%0.64356%0.56SS**Hα-helixtrans-71.8-39.9175-172.5174.4-173171.70111.5Y53 C54 T55Y53-K57 HydrophobicContact CE1-CD 3.94Å; Y53-K57 VanDerWaalsContact O-CB 3.26Å; Y53-K57 WeakPolarHBondContact O-CB 3.24Å; Y53-K57 PolarHBondContact O-N 3.45Å; Y53-K57 PolarHBondContact OH-NZ 3.09Å; C54-K57 PolarHBondContact O-N 2.95Å; T55-K57 VanDerWaalsContact C-N 3.3Å; T55-K57 PolarHBondContact O-N 3.01Å
58K86.6Confident76.6Confident154 Ų154108.9 Ų108.967%0.6757%0.574SS**Hα-helixtrans-68.1-40.1177-171.7-179.6179.7-1690112.1C54 T55C54-K58 WeakPolarHBondContact O-CB 3.2Å; C54-K58 PolarHBondContact O-N 3.32Å; T55-K58 PolarHBondContact O-N 2.62Å
59Y84.3Confident74.3Confident117 Ų117111.8 Ų111.846%0.45959%0.589SS.*Hα-helixtrans-108.73.6-175.4-54-69.6000115.1T55 N61 L62T55-Y59 HydrophobicContact CG2-CD2 3.7Å; T55-Y59 HydrophobicContact CG2-CE2 3.97Å; T55-Y59 WeakPolarHBondContact O-CD2 3.23Å; T55-Y59 PolarHBondContact O-N 2.99Å; Y59-N61 PolarHBondContact O-N 2.98Å; Y59-N61 VanDerWaalsContact O-N 3.15Å; Y59-L62 HydrophobicContact CD1-CD1 3.85Å; Y59-L62 HydrophobicContact CG-CD1 4.38Å; Y59-L62 WeakPolarHBondContact O-CB 3.28Å; Y59-L62 PolarHBondContact O-N 3.27Å
60G69.3Low71.8Confident37 Ų37115.5 Ų115.538%0.38161%0.608SS.*THydrogen-bonded Turntrans-61.6-28.1-171.500000114.1R56R56-G60 WeakPolarHBondContact O-CA 3.28Å; R56-G60 PolarHBondContact O-N 3.02Å
61N61.8Low69.2Low134 Ų134112 Ų11272%0.71761%0.606SS**THydrogen-bonded Turntrans-82.8-11.9174.7-68.2-28.5000113.7Y59Y59-N61 PolarHBondContact O-N 2.98Å; Y59-N61 VanDerWaalsContact O-N 3.15Å
62L59.3Low66.6Low107 Ų107110 Ų11056%0.5661%0.609SS**THydrogen-bonded Turntrans-76.8-24.2177.1-73.195.2000112.3Y59 L64 S66Y59-L62 HydrophobicContact CD1-CD1 3.85Å; Y59-L62 HydrophobicContact CG-CD1 4.38Å; Y59-L62 WeakPolarHBondContact O-CB 3.28Å; Y59-L62 PolarHBondContact O-N 3.27Å; L62-L64 VanDerWaalsContact C-N 3.33Å; L62-L64 PolarHBondContact O-N 2.89Å; L62-S66 WeakPolarHBondContact O-CB 3.47Å; L62-S66 PolarHBondContact O-N 3.26Å
63S55.4Low64.4Low100 Ų100118.9 Ų118.970%0.69964%0.638SS**THydrogen-bonded Turntrans-75.3-19.2-179.4-176.60000114
64L56.1Low61.7Low140 Ų140119.4 Ų119.473%0.73366%0.656SS**THydrogen-bonded Turntrans-86.2-17.5-179.6-72.8165.3000112.6L62L62-L64 VanDerWaalsContact C-N 3.33Å; L62-L64 PolarHBondContact O-N 2.89Å
65N50.9Low59.4Low132 Ų132122.8 Ų122.871%0.70668%0.681SS**THydrogen-bonded Turntrans-125.87.9-172.5-68-27.4000114.5S67N65-S67 PolarHBondContact O-N 3.47Å; N65-S67 VanDerWaalsContact O-N 3.13Å
66S53Low57.2Low103 Ų103126.1 Ų126.172%0.7269%0.694SS**  trans-78.29.4-173.873.60000115.6L62L62-S66 WeakPolarHBondContact O-CB 3.47Å; L62-S66 PolarHBondContact O-N 3.26Å
67S50.9Low55Low100 Ų100123.3 Ų123.370%0.69970%0.699SS**SBendtrans-102.761.1169.157.30000110.8N65N65-S67 PolarHBondContact O-N 3.47Å; N65-S67 VanDerWaalsContact O-N 3.13Å
68L47.2Very low52.8Low155 Ų155123 Ų12381%0.81271%0.71SS**SBendtrans-168.8142.5153.3-93136.6000110.4S70L68-S70 PolarHBondContact O-N 3.24Å
69P45.8Very low50.7Low121 Ų121127 Ų12779%0.78672%0.72SS**  trans-72.8127.5-179.2-4.722.1000110.4S71P69-S71 PolarHBondContact O-N 3.17Å
70S43.7Very low48.6Very low117 Ų117130.5 Ų130.582%0.81874%0.741SS**  trans-56.2111.9173.7176.70000111.7L68L68-S70 PolarHBondContact O-N 3.24Å
71S44.4Very low47Very low83 Ų83133 Ų13358%0.5875%0.752SS**  trans-95.8106.2156.7-175.30000108.9P69 Y73P69-S71 PolarHBondContact O-N 3.17Å; S71-Y73 VanDerWaalsContact O-CE2 3.28Å; S71-Y73 WeakPolarHBondContact O-CE2 3.49Å
72N40Very low46Very low136 Ų136138 Ų13873%0.72776%0.763SS**  trans9.398.5152.7-65.7-25.6000120
73Y47.8Very low45.4Very low204 Ų204138.7 Ų138.780%0.877%0.772SS**  trans-152.2123.6140.6-28.2-89.5000109.8S71S71-Y73 VanDerWaalsContact O-CE2 3.28Å; S71-Y73 WeakPolarHBondContact O-CE2 3.49Å
74P38.9Very low44.8Very low129 Ų129140.9 Ų140.984%0.83877%0.774SS**  trans-96.4106.9169.732.1-22.6000109.7
75S44.1Very low44.4Very low120 Ų120142 Ų14284%0.83978%0.775SS**  trans-106.899.4166.582.20000111.4
76I44.8Very low44Very low151 Ų151144.6 Ų144.677%0.77478%0.783SS**  trans-20130.3153.7-73.4157000116.1
77S41.6Very low43.4Very low102 Ų102144.2 Ų144.271%0.71378%0.781SS**  trans43119.8138.7-53.80000121.1
78T43.5Very low43.1Very low142 Ų142145.8 Ų145.887%0.87179%0.788SS**  -157.9118.7121.734.60000111.2
79R41.6Very low43Very low236 Ų236146.4 Ų146.489%0.89179%0.791SS**  trans-59.1167.7155.8-104.6179.6166.9-138.60.6110.1
80Q41.3Very low43.2Very low191 Ų191151.5 Ų151.589%0.89380%0.795SS**  trans94.2129.5178.6-52.4176.753.500110.1
81S36Very low43.6Very low89 Ų89151.1 Ų151.162%0.62278%0.784SS**  cis-165.9145.929.8400000109.5T83S81-T83 PolarHBondContact O-N 3.34Å
82Y40.1Very low44Very low240 Ų240152.9 Ų152.994%0.94179%0.787SS**  trans-69.4113159-51.5-94.6000107.4
83T46.1Very low44.7Very low121 Ų121152.1 Ų152.174%0.74278%0.783SS**  trans-133.6106.8166.153.20000110S81S81-T83 PolarHBondContact O-N 3.34Å
84I43.7Very low45.2Very low147 Ų147146.7 Ų146.775%0.75477%0.768SS**  trans-51132.7162.1-81.2173.1000110.3
85H48Very low46.3Very low162 Ų162144.4 Ų144.475%0.7575%0.748SS**  trans57.7108.2152.1-60-131.9000117.6
86Q42.1Very low47.3Very low188 Ų188142.8 Ų142.888%0.87973%0.73SS**  trans-165.4125.9139.6-107.1156.395.700112.1
87S39.8Very low48.7Very low95 Ų95140 Ų14066%0.66472%0.717SS**  trans63.4109.9153.756.20000120.3L89S87-L89 PolarHBondContact O-N 2.82Å
88P44.5Very low50.4Low133 Ų133139.2 Ų139.286%0.86471%0.705SS**SBendtrans-83.582.8163.432.2-29.5000110.9
89L45.5Very low52.4Low167 Ų167137.3 Ų137.387%0.87469%0.689SS**  trans-140.720.1175.1-79.2174.4000115.3S87S87-L89 PolarHBondContact O-N 2.82Å
90R49.5Very low54.6Low229 Ų229131.7 Ų131.786%0.86468%0.676SS**  trans-129.515.3-176.4-160.3162.9150.1-112.1-5.1116.5
91N52.8Low56.9Low108 Ų108128.7 Ų128.758%0.57866%0.662SS**  trans-103.211.4-169.7-146.116.4000116.8N95N91-N95 PolarHBondContact O-ND2 3.25Å
92N53Low59.5Low120 Ų120129 Ų12964%0.64266%0.657SS**Hα-helixtrans-88.8-34.1178.9-128.1-4000113.3N96N92-N96 PolarHBondContact O-N 3.47Å
93N54.9Low62Low121 Ų121119.8 Ų119.865%0.64763%0.63SS**Hα-helixtrans-73.8-29-179.8-72.1-6.8000113.1N97N93-N97 WeakPolarHBondContact O-CB 3.4Å; N93-N97 VanDerWaalsContact O-CG 3.26Å; N93-N97 PolarHBondContact O-N 3.13Å; N93-N97 PolarHBondContact O-ND2 3.36Å
94N57.6Low64.4Low90 Ų90116 Ų11648%0.48161%0.611SS.*Hα-helixtrans-71.4-34.3178.4-77.8-3.4000112.5N98N94-N98 WeakPolarHBondContact O-CB 3.4Å; N94-N98 PolarHBondContact O-N 3.14Å; N94-N98 PolarHBondContact O-ND2 3.44Å
95N61.2Low66.8Low80 Ų80112.4 Ų112.443%0.42860%0.597SS.*Hα-helixtrans-67.5-45.1175.9-70.7-15.2000110.9N91 N97 N98 D99N91-N95 PolarHBondContact O-ND2 3.25Å; N95-N97 VanDerWaalsContact C-N 3.34Å; N95-N97 PolarHBondContact O-N 3.18Å; N95-N98 PolarHBondContact O-N 2.87Å; N95-D99 WeakPolarHBondContact O-CB 3.36Å; N95-D99 PolarHBondContact O-N 3.37Å
96N65.8Low69.1Low86 Ų86113.8 Ų113.846%0.4660%0.595SS.*Hα-helixtrans-62.4-39.7176.6-68.6-15.2000112.3N92 D99 L100N92-N96 PolarHBondContact O-N 3.47Å; N96-D99 PolarHBondContact O-N 2.9Å; N96-L100 WeakPolarHBondContact O-CB 3.25Å; N96-L100 WeakPolarHBondContact O-CG 3.26Å; N96-L100 PolarHBondContact O-N 2.83Å
97N73.9Confident71.7Confident94 Ų94110.5 Ų110.550%0.50358%0.582SS.*Hα-helixtrans-65.5-43.8177-74.5-23.9000112N93 N95 D99 L100 E101N93-N97 WeakPolarHBondContact O-CB 3.4Å; N93-N97 VanDerWaalsContact O-CG 3.26Å; N93-N97 PolarHBondContact O-N 3.13Å; N93-N97 PolarHBondContact O-ND2 3.36Å; N95-N97 VanDerWaalsContact C-N 3.34Å; N95-N97 PolarHBondContact O-N 3.18Å; N97-D99 VanDerWaalsContact C-N 3.33Å; N97-D99 PolarHBondContact O-N 2.89Å; N97-L100 PolarHBondContact O-N 3.43Å; N97-E101 WeakPolarHBondContact O-CB 3.48Å; N97-E101 PolarHBondContact O-N 3.05Å
98N77.9Confident74.4Confident84 Ų84111.7 Ų111.745%0.44958%0.577SS.*Hα-helixtrans-62.5-40.8175.6-70.2-26.6000111.3N94 N95 E101 N102N94-N98 WeakPolarHBondContact O-CB 3.4Å; N94-N98 PolarHBondContact O-N 3.14Å; N94-N98 PolarHBondContact O-ND2 3.44Å; N95-N98 PolarHBondContact O-N 2.87Å; N98-E101 PolarHBondContact O-N 2.88Å; N98-N102 VanDerWaalsContact O-CB 3.22Å; N98-N102 WeakPolarHBondContact O-CB 3.5Å; N98-N102 PolarHBondContact O-N 3.4Å; N98-N102 PolarHBondContact O-ND2 3.15Å
99D86.1Confident76.9Confident102 Ų102108.1 Ų108.155%0.54556%0.559SS.*Hα-helixtrans-68.5-40.1178.9-73.3-18.6000112.1N95 N96 N97 A103N95-D99 WeakPolarHBondContact O-CB 3.36Å; N95-D99 PolarHBondContact O-N 3.37Å; N96-D99 PolarHBondContact O-N 2.9Å; N97-D99 VanDerWaalsContact C-N 3.33Å; N97-D99 PolarHBondContact O-N 2.89Å; D99-A103 VanDerWaalsContact O-CB 3.25Å; D99-A103 WeakPolarHBondContact O-CB 3.15Å; D99-A103 PolarHBondContact O-N 3.39Å
100L87.3Confident79.4Confident119 Ų119103.9 Ų103.962%0.62354%0.544SS*.Hα-helixtrans-65.1-43174.1-73.1170000111.8N96 N97 A103 A104N96-L100 WeakPolarHBondContact O-CB 3.25Å; N96-L100 WeakPolarHBondContact O-CG 3.26Å; N96-L100 PolarHBondContact O-N 2.83Å; N97-L100 PolarHBondContact O-N 3.43Å; L100-A103 PolarHBondContact O-N 3.19Å; L100-A104 WeakPolarHBondContact O-CB 3.27Å; L100-A104 PolarHBondContact O-N 3.46Å
101E89.4Confident81.7Confident127 Ų12799.7 Ų99.759%0.59353%0.529SS*.Hα-helixtrans-65.7-42.6176.5-175.3175.5-172.500111.7N97 N98 A104 T105N97-E101 WeakPolarHBondContact O-CB 3.48Å; N97-E101 PolarHBondContact O-N 3.05Å; N98-E101 PolarHBondContact O-N 2.88Å; E101-A104 PolarHBondContact O-N 3.33Å; E101-T105 WeakPolarHBondContact O-CB 3.47Å; E101-T105 PolarHBondContact O-N 2.9Å; E101-T105 PolarHBondContact O-OG1 3.15Å
102N90.5Very high83.8Confident95 Ų95103.4 Ų103.451%0.50854%0.535SS..Hα-helixtrans-62.2-43.6173.9-75.6-32000111.4N98 T105 R106N98-N102 VanDerWaalsContact O-CB 3.22Å; N98-N102 WeakPolarHBondContact O-CB 3.5Å; N98-N102 PolarHBondContact O-N 3.4Å; N98-N102 PolarHBondContact O-ND2 3.15Å; N102-T105 PolarHBondContact O-N 3.38Å; N102-R106 VanDerWaalsContact O-CG 3.3Å; N102-R106 WeakPolarHBondContact O-CG 3.39Å; N102-R106 PolarHBondContact O-N 2.9Å
103A93.5Very high85.9Confident47 Ų4798.6 Ų98.639%0.38851%0.513SS..Hα-helixtrans-62.5-46.1175.700000111.5D99 L100 T105 R106 I107D99-A103 VanDerWaalsContact O-CB 3.25Å; D99-A103 WeakPolarHBondContact O-CB 3.15Å; D99-A103 PolarHBondContact O-N 3.39Å; L100-A103 PolarHBondContact O-N 3.19Å; A103-T105 PolarHBondContact O-N 3.36Å; A103-R106 PolarHBondContact O-N 2.78Å; A103-I107 WeakPolarHBondContact O-CG1 3.45Å; A103-I107 PolarHBondContact O-N 2.93Å
104A94.6Very high87.9Confident41 Ų4198.7 Ų98.734%0.33951%0.506SS..Hα-helixtrans-59.2-45.5175.800000111.5L100 E101 R106 I107 Q108L100-A104 WeakPolarHBondContact O-CB 3.27Å; L100-A104 PolarHBondContact O-N 3.46Å; E101-A104 PolarHBondContact O-N 3.33Å; A104-R106 VanDerWaalsContact C-N 3.34Å; A104-R106 PolarHBondContact O-N 3.28Å; A104-I107 PolarHBondContact O-N 3.4Å; A104-Q108 WeakPolarHBondContact O-CB 3.46Å; A104-Q108 VanDerWaalsContact O-CG 3.25Å; A104-Q108 WeakPolarHBondContact O-CG 2.95Å; A104-Q108 PolarHBondContact O-N 2.73Å
105T95.1Very high89.7Confident73 Ų7398 Ų9845%0.44850%0.502SS..Hα-helixtrans-59.7-43.1177-60.60000111.6E101 N102 A103 Q108 A109E101-T105 WeakPolarHBondContact O-CB 3.47Å; E101-T105 PolarHBondContact O-N 2.9Å; E101-T105 PolarHBondContact O-OG1 3.15Å; N102-T105 PolarHBondContact O-N 3.38Å; A103-T105 PolarHBondContact O-N 3.36Å; T105-Q108 PolarHBondContact O-N 3.32Å; T105-A109 VanDerWaalsContact O-CB 3.26Å; T105-A109 WeakPolarHBondContact O-CB 3.44Å; T105-A109 PolarHBondContact O-N 3.13Å
106R96.7Very high91.3Very high190 Ų19098.3 Ų98.372%0.71751%0.506SS*.Hα-helixtrans-64.1-41.5176.8-72.7176.168.8173.91.8112.3N102 A103 A104 S110N102-R106 VanDerWaalsContact O-CG 3.3Å; N102-R106 WeakPolarHBondContact O-CG 3.39Å; N102-R106 PolarHBondContact O-N 2.9Å; A103-R106 PolarHBondContact O-N 2.78Å; A104-R106 VanDerWaalsContact C-N 3.34Å; A104-R106 PolarHBondContact O-N 3.28Å; R106-S110 VanDerWaalsContact O-CB 3.32Å; R106-S110 WeakPolarHBondContact O-CB 3.12Å; R106-S110 PolarHBondContact O-N 3.32Å; R106-S110 PolarHBondContact O-OG 3.47Å
107I96.5Very high92.6Very high120 Ų120101.7 Ų101.762%0.61551%0.513SS*.Hα-helixtrans-64.5-48.9176.9-68.4167.6000110A103 A104 A109 S110 Y111A103-I107 WeakPolarHBondContact O-CG1 3.45Å; A103-I107 PolarHBondContact O-N 2.93Å; A104-I107 PolarHBondContact O-N 3.4Å; I107-A109 PolarHBondContact O-N 3.01Å; I107-S110 PolarHBondContact O-N 3.37Å; I107-Y111 WeakPolarHBondContact O-CB 3.45Å; I107-Y111 PolarHBondContact O-N 2.88Å
108Q96.9Very high93.5Very high119 Ų119101.4 Ų101.456%0.55651%0.507SS*.Hα-helixtrans-60-45.9178.3-71.4170-15.800111.9A104 T105 S110 Y111 R112A104-Q108 WeakPolarHBondContact O-CB 3.46Å; A104-Q108 VanDerWaalsContact O-CG 3.25Å; A104-Q108 WeakPolarHBondContact O-CG 2.95Å; A104-Q108 PolarHBondContact O-N 2.73Å; T105-Q108 PolarHBondContact O-N 3.32Å; Q108-S110 VanDerWaalsContact C-N 3.34Å; Q108-S110 PolarHBondContact O-N 3.27Å; Q108-Y111 PolarHBondContact O-N 3.14Å; Q108-R112 WeakPolarHBondContact O-CB 3.38Å; Q108-R112 VanDerWaalsContact O-CG 3.26Å; Q108-R112 WeakPolarHBondContact O-CG 3.19Å; Q108-R112 PolarHBondContact O-N 2.91Å
109A97Very high94.1Very high59 Ų5999.6 Ų99.649%0.48850%0.504SS..Hα-helixtrans-61.2-43.3176.600000111.8T105 I107 G113T105-A109 VanDerWaalsContact O-CB 3.26Å; T105-A109 WeakPolarHBondContact O-CB 3.44Å; T105-A109 PolarHBondContact O-N 3.13Å; I107-A109 PolarHBondContact O-N 3.01Å; A109-G113 PolarHBondContact O-N 2.86Å
110S96.8Very high94.3Very high78 Ų7899.4 Ų99.455%0.54550%0.502SS..Hα-helixtrans-63.7-42.5177.4-59.40000112R106 I107 Q108 G113 Y114R106-S110 VanDerWaalsContact O-CB 3.32Å; R106-S110 WeakPolarHBondContact O-CB 3.12Å; R106-S110 PolarHBondContact O-N 3.32Å; R106-S110 PolarHBondContact O-OG 3.47Å; I107-S110 PolarHBondContact O-N 3.37Å; Q108-S110 VanDerWaalsContact C-N 3.34Å; Q108-S110 PolarHBondContact O-N 3.27Å; S110-G113 PolarHBondContact O-N 3.41Å; S110-Y114 WeakPolarHBondContact O-CB 3.33Å; S110-Y114 PolarHBondContact O-N 3.39Å
111Y97.9Very high94.3Very high141 Ų141100.9 Ų100.955%0.55350%0.5SS*.Hα-helixtrans-67.3-45.1178.1-176.4-109.8000112.2I107 Q108 G113 Y114 L115I107-Y111 WeakPolarHBondContact O-CB 3.45Å; I107-Y111 PolarHBondContact O-N 2.88Å; Q108-Y111 PolarHBondContact O-N 3.14Å; Y111-G113 VanDerWaalsContact C-N 3.31Å; Y111-G113 PolarHBondContact O-N 3.37Å; Y111-Y114 HydrophobicContact CD2-CD1 4.35Å; Y111-Y114 HydrophobicContact CE2-CD1 4.36Å; Y111-Y114 WeakPolarHBondContact O-CB 3.47Å; Y111-Y114 PolarHBondContact O-N 2.97Å; Y111-Y114 VanDerWaalsContact O-N 3.1Å; Y111-L115 HydrophobicContact CD1-CD1 4.02Å; Y111-L115 HydrophobicContact CD1-CG 4.37Å; Y111-L115 HydrophobicContact CE1-CD1 3.54Å; Y111-L115 HydrophobicContact CE1-CD2 4.4Å; Y111-L115 HydrophobicContact CE1-CG 4.01Å; Y111-L115 HydrophobicContact CE2-CD2 4.37Å; Y111-L115 HydrophobicContact CE2-CG 4.45Å; Y111-L115 WeakPolarHBondContact O-CG 3.38Å; Y111-L115 PolarHBondContact O-N 3.49Å
112R96.8Very high94Very high185 Ų18597.5 Ų97.570%0.69849%0.486SS*.Hα-helixtrans-56.1-46.5172.9-71.5169.869.3174.13111.1Q108 Y114 L115 T116Q108-R112 WeakPolarHBondContact O-CB 3.38Å; Q108-R112 VanDerWaalsContact O-CG 3.26Å; Q108-R112 WeakPolarHBondContact O-CG 3.19Å; Q108-R112 PolarHBondContact O-N 2.91Å; R112-Y114 PolarHBondContact O-N 3.48Å; R112-L115 PolarHBondContact O-N 3.43Å; R112-T116 PolarHBondContact O-N 3.45Å; R112-T116 PolarHBondContact O-OG1 3.25Å
113G97Very high93.4Very high19 Ų1997.7 Ų97.720%0.19649%0.486CS..Hα-helixtrans-64.1-37175.500000113.4A109 S110 Y111 T116 R117A109-G113 PolarHBondContact O-N 2.86Å; S110-G113 PolarHBondContact O-N 3.41Å; Y111-G113 VanDerWaalsContact C-N 3.31Å; Y111-G113 PolarHBondContact O-N 3.37Å; G113-T116 PolarHBondContact O-N 2.93Å; G113-R117 WeakPolarHBondContact O-CG 3.44Å; G113-R117 VanDerWaalsContact O-CZ 3.31Å; G113-R117 PolarHBondContact O-N 3.01Å; G113-R117 PolarHBondContact O-NH1 2.9Å
114Y97.4Very high91.9Very high124 Ų12499.7 Ų99.749%0.48649%0.491SS..Hα-helixtrans-62.5-46.5173.5166.1-97.2000111.6S110 Y111 R112 T116 R117 K118S110-Y114 WeakPolarHBondContact O-CB 3.33Å; S110-Y114 PolarHBondContact O-N 3.39Å; Y111-Y114 HydrophobicContact CD2-CD1 4.35Å; Y111-Y114 HydrophobicContact CE2-CD1 4.36Å; Y111-Y114 WeakPolarHBondContact O-CB 3.47Å; Y111-Y114 PolarHBondContact O-N 2.97Å; Y111-Y114 VanDerWaalsContact O-N 3.1Å; R112-Y114 PolarHBondContact O-N 3.48Å; Y114-T116 PolarHBondContact O-N 2.9Å; Y114-R117 PolarHBondContact O-N 3.27Å; Y114-K118 HydrophobicContact CE1-CD 4.31Å; Y114-K118 WeakPolarHBondContact O-CB 3.33Å; Y114-K118 PolarHBondContact O-N 2.93Å
115L95.3Very high90.3Very high76 Ų76101.3 Ų101.340%0.39849%0.494SS..Hα-helixtrans-59.1-45.6176.4-69.5179.9000111.6Y111 R112 R117 K118 A119Y111-L115 HydrophobicContact CD1-CD1 4.02Å; Y111-L115 HydrophobicContact CD1-CG 4.37Å; Y111-L115 HydrophobicContact CE1-CD1 3.54Å; Y111-L115 HydrophobicContact CE1-CD2 4.4Å; Y111-L115 HydrophobicContact CE1-CG 4.01Å; Y111-L115 HydrophobicContact CE2-CD2 4.37Å; Y111-L115 HydrophobicContact CE2-CG 4.45Å; Y111-L115 WeakPolarHBondContact O-CG 3.38Å; Y111-L115 PolarHBondContact O-N 3.49Å; R112-L115 PolarHBondContact O-N 3.43Å; L115-R117 PolarHBondContact O-N 2.91Å; L115-K118 PolarHBondContact O-N 3.4Å; L115-A119 WeakPolarHBondContact O-CB 3.44Å; L115-A119 PolarHBondContact O-N 3.07Å
116T94.5Very high88.4Confident85 Ų85104.4 Ų104.452%0.52151%0.507SS..Hα-helixtrans-60.1-46.4175.7-55.80000111.8R112 G113 Y114 K118 A119 L120R112-T116 PolarHBondContact O-N 3.45Å; R112-T116 PolarHBondContact O-OG1 3.25Å; G113-T116 PolarHBondContact O-N 2.93Å; Y114-T116 PolarHBondContact O-N 2.9Å; T116-K118 VanDerWaalsContact C-N 3.31Å; T116-K118 PolarHBondContact O-N 3.22Å; T116-A119 PolarHBondContact O-N 3.46Å; T116-L120 HydrophobicContact CG2-CD1 4.26Å; T116-L120 WeakPolarHBondContact O-CG 3.45Å; T116-L120 PolarHBondContact O-N 2.86Å
117R93.2Very high86.4Confident158 Ų158101.8 Ų101.860%0.59651%0.506SS*.Hα-helixtrans-65.5-34.8178.1-72.2-174.5-61-86.61.5112.5G113 Y114 L115 R121G113-R117 WeakPolarHBondContact O-CG 3.44Å; G113-R117 VanDerWaalsContact O-CZ 3.31Å; G113-R117 PolarHBondContact O-N 3.01Å; G113-R117 PolarHBondContact O-NH1 2.9Å; Y114-R117 PolarHBondContact O-N 3.27Å; L115-R117 PolarHBondContact O-N 2.91Å; R117-R121 PolarHBondContact O-N 2.96Å; R117-R121 VanDerWaalsContact O-N 3.07Å
118K93.2Very high84.1Confident87 Ų8797.3 Ų97.338%0.37849%0.485SS..Hα-helixtrans-67.5-48.9175.4-174.7-177.7175.6-173.40111Y114 L115 T116 L120 R121 D122Y114-K118 HydrophobicContact CE1-CD 4.31Å; Y114-K118 WeakPolarHBondContact O-CB 3.33Å; Y114-K118 PolarHBondContact O-N 2.93Å; L115-K118 PolarHBondContact O-N 3.4Å; T116-K118 VanDerWaalsContact C-N 3.31Å; T116-K118 PolarHBondContact O-N 3.22Å; K118-L120 VanDerWaalsContact C-N 3.34Å; K118-L120 PolarHBondContact O-N 3.27Å; K118-R121 WeakPolarHBondContact O-CA 3.33Å; K118-R121 WeakPolarHBondContact O-CB 2.87Å; K118-R121 PolarHBondContact O-N 3.5Å; K118-D122 VanDerWaalsContact O-CG 3.28Å; K118-D122 PolarHBondContact O-N 2.74Å
119A90.7Very high82Confident47 Ų47100.5 Ų100.539%0.38850%0.5SS..Hα-helixtrans-57.3-46.5176.100000111.6L115 T116 R121 D122 D123L115-A119 WeakPolarHBondContact O-CB 3.44Å; L115-A119 PolarHBondContact O-N 3.07Å; T116-A119 PolarHBondContact O-N 3.46Å; A119-R121 VanDerWaalsContact C-N 3.28Å; A119-R121 PolarHBondContact O-N 3.47Å; A119-D122 PolarHBondContact O-N 2.91Å; A119-D123 WeakPolarHBondContact O-CB 3.41Å; A119-D123 PolarHBondContact O-N 3.39Å
120L90Very high79.7Confident97 Ų97106.3 Ų106.351%0.50851%0.514SS..Hα-helixtrans-60.3-37.2174.8-70.1173.4000112.2T116 K118 N124T116-L120 HydrophobicContact CG2-CD1 4.26Å; T116-L120 WeakPolarHBondContact O-CG 3.45Å; T116-L120 PolarHBondContact O-N 2.86Å; K118-L120 VanDerWaalsContact C-N 3.34Å; K118-L120 PolarHBondContact O-N 3.27Å; L120-N124 WeakPolarHBondContact O-CB 3.44Å; L120-N124 PolarHBondContact O-N 3.3Å; L120-N124 PolarHBondContact O-ND2 3.25Å
121R87.7Confident77.1Confident151 Ų151111.1 Ų111.157%0.5753%0.528SS*.Hα-helixtrans-68.1-44.6175.9-166.3-173.773.6-161.62.5111.5R117 K118 A119 N124 D125R117-R121 PolarHBondContact O-N 2.96Å; R117-R121 VanDerWaalsContact O-N 3.07Å; K118-R121 WeakPolarHBondContact O-CA 3.33Å; K118-R121 WeakPolarHBondContact O-CB 2.87Å; K118-R121 PolarHBondContact O-N 3.5Å; A119-R121 VanDerWaalsContact C-N 3.28Å; A119-R121 PolarHBondContact O-N 3.47Å; R121-N124 CarbonylContact O-C 3.57Å; R121-N124 WeakPolarHBondContact O-CB 3.39Å; R121-N124 PolarHBondContact O-N 2.86Å; R121-D125 VanDerWaalsContact O-CG 3.25Å; R121-D125 PolarHBondContact O-N 3.03Å
122D82.3Confident74.5Confident56 Ų56113.3 Ų113.330%0.29954%0.536SS..Hα-helixtrans-70.1-34.5-178.2-61.2-14.6000111.6K118 A119 D125 N126K118-D122 VanDerWaalsContact O-CG 3.28Å; K118-D122 PolarHBondContact O-N 2.74Å; A119-D122 PolarHBondContact O-N 2.91Å; D122-D125 PolarHBondContact O-N 3.09Å; D122-N126 PolarHBondContact O-N 3.11Å; D122-N126 VanDerWaalsContact O-N 3.08Å; D122-N126 PolarHBondContact O-ND2 3.05Å
123D77.9Confident72.3Confident98 Ų98113.1 Ų113.152%0.52454%0.54SS..Hα-helixtrans-66.4-41.2170.9-71.7-21.8000110.9A119 N126 I127A119-D123 WeakPolarHBondContact O-CB 3.41Å; A119-D123 PolarHBondContact O-N 3.39Å; D123-N126 PolarHBondContact O-N 3.25Å; D123-I127 PolarHBondContact O-N 3.04Å; D123-I127 VanDerWaalsContact O-N 3.15Å
124N62.9Low70.1Confident89 Ų89116.7 Ų116.748%0.47656%0.56SS.*Hα-helixtrans-60.8-49.4170.8-81.7-65.4000109.3L120 R121 N126 I127 T128L120-N124 WeakPolarHBondContact O-CB 3.44Å; L120-N124 PolarHBondContact O-N 3.3Å; L120-N124 PolarHBondContact O-ND2 3.25Å; R121-N124 CarbonylContact O-C 3.57Å; R121-N124 WeakPolarHBondContact O-CB 3.39Å; R121-N124 PolarHBondContact O-N 2.86Å; N124-N126 VanDerWaalsContact C-N 3.26Å; N124-N126 PolarHBondContact O-N 3.04Å; N124-I127 CarbonylContact O-C 3.21Å; N124-I127 PolarHBondContact O-N 3.48Å; N124-T128 WeakPolarHBondContact O-CA 3.47Å; N124-T128 WeakPolarHBondContact O-CB 3.49Å; N124-T128 PolarHBondContact O-N 3.13Å; N124-T128 PolarHBondContact O-OG1 3.45Å
125D60.1Low67.9Low76 Ų76116.6 Ų116.641%0.40657%0.567SS.*Hα-helixtrans-59.3-31-178.1-69.2-27000113.3R121 D122 Q129R121-D125 VanDerWaalsContact O-CG 3.25Å; R121-D125 PolarHBondContact O-N 3.03Å; D122-D125 PolarHBondContact O-N 3.09Å; D125-Q129 WeakPolarHBondContact O-CG 3.42Å; D125-Q129 PolarHBondContact O-N 3.17Å
126N55.3Low65.9Low137 Ų137121.1 Ų121.173%0.73358%0.583SS**Hα-helixtrans-78.7-28.4173.3-77.8-80.3000114.1D122 D123 N124D122-N126 PolarHBondContact O-N 3.11Å; D122-N126 VanDerWaalsContact O-N 3.08Å; D122-N126 PolarHBondContact O-ND2 3.05Å; D123-N126 PolarHBondContact O-N 3.25Å; N124-N126 VanDerWaalsContact C-N 3.26Å; N124-N126 PolarHBondContact O-N 3.04Å
127I54.5Low63.8Low135 Ų135124.3 Ų124.369%0.69260%0.597SS**Hα-helixtrans-82.4-22171.4-68.3167.7000111.3D123 N124D123-I127 PolarHBondContact O-N 3.04Å; D123-I127 VanDerWaalsContact O-N 3.15Å; N124-I127 CarbonylContact O-C 3.21Å; N124-I127 PolarHBondContact O-N 3.48Å
128T49.5Very low61.7Low27 Ų27121.5 Ų121.517%0.16660%0.598CS.*Hα-helixtrans-101.7-8.8-165.3-71.50000114.7N124 K130 Q131 Y132N124-T128 WeakPolarHBondContact O-CA 3.47Å; N124-T128 WeakPolarHBondContact O-CB 3.49Å; N124-T128 PolarHBondContact O-N 3.13Å; N124-T128 PolarHBondContact O-OG1 3.45Å; T128-K130 CarbonylContact O-C 3.55Å; T128-K130 PolarHBondContact O-N 3Å; T128-K130 VanDerWaalsContact O-N 3.09Å; T128-Q131 PolarHBondContact O-N 3.35Å; T128-Y132 HydrophobicContact CG2-CG 4.35Å; T128-Y132 PolarHBondContact O-N 3.47Å
129Q51.5Low59.4Low186 Ų186122.3 Ų122.387%0.86961%0.611SS**THydrogen-bonded Turntrans-62.8-11.7165.7-65.5-11755.700112D125D125-Q129 WeakPolarHBondContact O-CG 3.42Å; D125-Q129 PolarHBondContact O-N 3.17Å
130K49.7Very low57.4Low181 Ų181129.8 Ų129.879%0.78763%0.631SS**THydrogen-bonded Turntrans-105.2102.4148.9-77.4177.6177.4177.40108.9T128T128-K130 CarbonylContact O-C 3.55Å; T128-K130 PolarHBondContact O-N 3Å; T128-K130 VanDerWaalsContact O-N 3.09Å
131Q41.2Very low55.4Low178 Ų178134.9 Ų134.983%0.83265%0.645SS**THydrogen-bonded Turntrans76.558.2159.6-46.6-70.9-34.500118.3T128T128-Q131 PolarHBondContact O-N 3.35Å
132Y43Very low53.3Low187 Ų187131 Ų13173%0.73364%0.641SS**  trans-145.185.9147.6-140.2-98.7000109.9T128T128-Y132 HydrophobicContact CG2-CG 4.35Å; T128-Y132 PolarHBondContact O-N 3.47Å
133K51.9Low51.4Low181 Ų181136 Ų13679%0.78767%0.667SS**  trans-79.1130.9156.9-64.1-173.4179.4-1710105.9I135K133-I135 PolarHBondContact O-N 2.94Å
134P49.3Very low49.8Very low95 Ų95137.1 Ų137.162%0.61767%0.674SS**  trans-55.3118.4167.924.1-30.5000105.9K136P134-K136 PolarHBondContact O-N 3.33Å
135I51.9Low48.9Very low121 Ų121142.2 Ų142.262%0.62169%0.692SS**  trans-70.281.1-176.1-54.4175.1000107.8K133 V138K133-I135 PolarHBondContact O-N 2.94Å; I135-V138 HydrophobicContact CB-CG2 4.46Å; I135-V138 HydrophobicContact CD1-CG1 4.19Å; I135-V138 HydrophobicContact CG2-CB 3.51Å; I135-V138 HydrophobicContact CG2-CG1 3.35Å; I135-V138 HydrophobicContact CG2-CG2 3.28Å; I135-V138 VanDerWaalsContact CG2-N 3.34Å
136K54Low48.3Very low171 Ų171145.5 Ų145.574%0.74371%0.708SS**SBendtrans-85.9103.8157.9-61.9-178.8-178.9-178.60103.3P134P134-K136 PolarHBondContact O-N 3.33Å
137N49.6Very low47.9Very low153 Ų153146 Ų14682%0.81871%0.711SS**  trans82.477.2-177.8-40.1-23000114.3
138V49.6Very low47.2Very low99 Ų99149 Ų14960%0.672%0.718SS**  trans-87.3120.1152.3-108.20000107.3I135 Y140I135-V138 HydrophobicContact CB-CG2 4.46Å; I135-V138 HydrophobicContact CD1-CG1 4.19Å; I135-V138 HydrophobicContact CG2-CB 3.51Å; I135-V138 HydrophobicContact CG2-CG1 3.35Å; I135-V138 HydrophobicContact CG2-CG2 3.28Å; I135-V138 VanDerWaalsContact CG2-N 3.34Å; V138-Y140 PolarHBondContact O-N 2.88Å; V138-Y140 VanDerWaalsContact O-N 3.16Å
139P45.1Very low46.7Very low103 Ų103153.1 Ų153.167%0.66974%0.744SS**  trans-61.4115.3156.3-9.925.7000106.4Y141P139-Y141 PolarHBondContact O-N 3.37Å; P139-Y141 VanDerWaalsContact O-N 3.08Å
140Y47.5Very low46.1Very low204 Ų204150.6 Ų150.680%0.874%0.736SS**  trans-67.1106.3176.7-168.5-92.6000108.2V138 S142V138-Y140 PolarHBondContact O-N 2.88Å; V138-Y140 VanDerWaalsContact O-N 3.16Å; Y140-S142 PolarHBondContact O-N 3.28Å; Y140-S142 VanDerWaalsContact O-N 3.14Å
141Y48.9Very low45.9Very low205 Ų205149.5 Ų149.580%0.80474%0.739SS**  trans-72.9102.7166.8-82.2-82.7000108.3P139 N143P139-Y141 PolarHBondContact O-N 3.37Å; P139-Y141 VanDerWaalsContact O-N 3.08Å; Y141-N143 PolarHBondContact O-N 2.91Å; Y141-N143 VanDerWaalsContact O-N 3.11Å
142S44.1Very low45.9Very low70 Ų70147.1 Ų147.149%0.4973%0.732SS.*  trans-66.2102.5170.7-138.40000108.7Y140 D144Y140-S142 PolarHBondContact O-N 3.28Å; Y140-S142 VanDerWaalsContact O-N 3.14Å; S142-D144 WeakPolarHBondContact CB-OD2 3Å; S142-D144 PolarHBondContact O-N 3.41Å; S142-D144 VanDerWaalsContact O-N 3.1Å; S142-D144 PolarHBondContact OG-OD2 3.24Å
143N41.8Very low46.3Very low159 Ų159146.1 Ų146.185%0.8573%0.734SS**  trans-8271164.1-74.5-41.2000108.3Y141 K145Y141-N143 PolarHBondContact O-N 2.91Å; Y141-N143 VanDerWaalsContact O-N 3.11Å; N143-K145 PolarHBondContact O-N 2.81Å; N143-K145 VanDerWaalsContact O-N 3.12Å
144D44.6Very low46Very low123 Ų123145 Ų14566%0.65874%0.736SS**  trans-78.988.3171.2-77.4-47.8000109.7S142S142-D144 WeakPolarHBondContact CB-OD2 3Å; S142-D144 PolarHBondContact O-N 3.41Å; S142-D144 VanDerWaalsContact O-N 3.1Å; S142-D144 PolarHBondContact OG-OD2 3.24Å
145K44.4Very low46.3Very low196 Ų196147.5 Ų147.585%0.85274%0.743SS**  trans-113.570.6151.6-79.4-174.5-178.8178.20108.2N143N143-K145 PolarHBondContact O-N 2.81Å; N143-K145 VanDerWaalsContact O-N 3.12Å
146I46.8Very low46.4Very low145 Ų145147.9 Ų147.974%0.74475%0.746SS**  trans-126.189.4165.5-52.4178.6000107.5K148I146-K148 PolarHBondContact O-N 3.17Å
147N46.4Very low46.3Very low148 Ų148146.9 Ų146.979%0.79175%0.749SS**  trans11.792146.3-56.8-32.6000116T149N147-T149 PolarHBondContact O-N 2.98Å
148K40.6Very low46.3Very low197 Ų197145.3 Ų145.386%0.85774%0.74SS**  10106.2130-164.9173.9-168.81720115.2I146I146-K148 PolarHBondContact O-N 3.17Å
149T38Very low46.5Very low114 Ų114146.6 Ų146.670%0.69974%0.744SS**  trans-171.4119.1130.837.10000112N147N147-T149 PolarHBondContact O-N 2.98Å
150N39Very low47.1Very low133 Ų133148.4 Ų148.471%0.71175%0.748SS**  trans61.996.8139.8-45.3-21.7000118.8
151N46.8Very low47.8Very low157 Ų157146 Ų14684%0.8475%0.749SS**  164.3107.2113.3-87.1-43.4000110.3
152D40.9Very low48.9Very low129 Ų129140.4 Ų140.469%0.6973%0.733SS**  trans24.4103.4130.7-158.4-10.5000117.5
153H51.2Low50.4Low165 Ų165142.1 Ų142.176%0.76474%0.736SS**  -168.2129.8122.2-103-0.2000112I155H153-I155 PolarHBondContact O-N 2.95Å
154N45.2Very low52.3Low157 Ų157139.2 Ų139.284%0.8472%0.72SS**  trans-38.4117.5175.7-71.8-65.9000113.6
155I56.6Low54.3Low148 Ų148134.4 Ų134.476%0.75970%0.7SS**  trans-119.4105161.5-63177.2000106.8H153 N157H153-I155 PolarHBondContact O-N 2.95Å; I155-N157 PolarHBondContact O-N 2.88Å
156D53.7Low56.2Low129 Ų129131.2 Ų131.269%0.6969%0.686SS**  trans-52.1120170.6-174.5-1000110N158D156-N158 VanDerWaalsContact C-N 3.34Å; D156-N158 PolarHBondContact O-N 3.3Å; D156-N158 VanDerWaalsContact O-N 3.14Å; D156-N158 PolarHBondContact OD1-ND2 3.4Å
157N51.1Low58.2Low150 Ų150128.1 Ų128.180%0.80267%0.674SS**  trans-83.571.8-178.4-77.2-60.6000110I155I155-N157 PolarHBondContact O-N 2.88Å
158N49.9Very low60.1Low120 Ų120126.3 Ų126.364%0.64266%0.659SS**  trans-141.8129.4171.7-74.1-62.4000111D156D156-N158 VanDerWaalsContact C-N 3.34Å; D156-N158 PolarHBondContact O-N 3.3Å; D156-N158 VanDerWaalsContact O-N 3.14Å; D156-N158 PolarHBondContact OD1-ND2 3.4Å
159N53.8Low62.5Low127 Ų127119.2 Ų119.268%0.67964%0.637SS**  trans102.691.2170.8-51.5-44.1000116.9D161N159-D161 PolarHBondContact O-N 2.89Å
160D58.6Low65.1Low141 Ų141117.2 Ų117.275%0.75462%0.624SS**G310 helixtrans-70.5-0.9166.5-104.8-32.5000113.9
161D62Low67.7Low154 Ų154114.5 Ų114.582%0.82461%0.613SS**G310 helixtrans-90.4-7.3-170.4-70.2-33.2000115.8N159N159-D161 PolarHBondContact O-N 2.89Å
162D70.6Confident70.1Confident87 Ų87114.6 Ų114.647%0.46561%0.606SS.*G310 helixtrans-115.935-177.1-167.445.5000114.1D164 G165 K166D162-D164 VanDerWaalsContact C-N 3.3Å; D162-D164 PolarHBondContact O-N 3.47Å; D162-G165 PolarHBondContact O-N 3.41Å; D162-G165 VanDerWaalsContact OD1-CA 3.24Å; D162-G165 WeakPolarHBondContact OD1-CA 2.68Å; D162-G165 PolarHBondContact OD1-N 2.9Å; D162-K166 WeakPolarHBondContact O-CG 3.39Å; D162-K166 PolarHBondContact O-N 3.4Å; D162-K166 VanDerWaalsContact O-N 3.1Å
163I76.8Confident72.6Confident106 Ų106114.3 Ų114.354%0.54460%0.603SS.*Hα-helixtrans-62.3-41.3174.7-66.6172.9000110.5K166 V167I163-K166 PolarHBondContact O-N 2.93Å; I163-V167 HydrophobicContact CG2-CG2 4.33Å; I163-V167 WeakPolarHBondContact O-CB 3.35Å; I163-V167 VanDerWaalsContact O-CG2 3.28Å; I163-V167 WeakPolarHBondContact O-CG2 3.36Å; I163-V167 PolarHBondContact O-N 2.87Å
164D81.8Confident74.7Confident97 Ų97111.7 Ų111.752%0.51959%0.591SS.*Hα-helixtrans-65.8-40179.4-179.457.6000112.1D162 V167 K168D162-D164 VanDerWaalsContact C-N 3.3Å; D162-D164 PolarHBondContact O-N 3.47Å; D164-V167 PolarHBondContact O-N 3.04Å; D164-K168 WeakPolarHBondContact O-CB 3.18Å; D164-K168 WeakPolarHBondContact O-CD 3.49Å; D164-K168 WeakPolarHBondContact O-CG 3.37Å; D164-K168 PolarHBondContact O-N 3.49Å; D164-K168 WeakPolarHBondContact OD1-CE 3.02Å; D164-K168 IonicContact OD1-NZ 2.6Å; D164-K168 WeakPolarHBondContact OD2-CE 3.35Å; D164-K168 IonicContact OD2-NZ 3.71Å; D164-K168 PolarHBondContact OD2-NZ 3.05Å
165G85.9Confident77.1Confident23 Ų23107.1 Ų107.124%0.23758%0.575CS.*Hα-helixtrans-63.4-45.6174.700000112.6D162 K168 A169D162-G165 PolarHBondContact O-N 3.41Å; D162-G165 VanDerWaalsContact OD1-CA 3.24Å; D162-G165 WeakPolarHBondContact OD1-CA 2.68Å; D162-G165 PolarHBondContact OD1-N 2.9Å; G165-K168 PolarHBondContact O-N 2.89Å; G165-A169 WeakPolarHBondContact O-CB 3.13Å; G165-A169 PolarHBondContact O-N 3.46Å
166K85.4Confident79Confident128 Ų128101.8 Ų101.856%0.55756%0.556SS**Hα-helixtrans-61.8-45.9175.5-70.7173.2-175.8171.90112.1D162 I163 K168 A169 V170D162-K166 WeakPolarHBondContact O-CG 3.39Å; D162-K166 PolarHBondContact O-N 3.4Å; D162-K166 VanDerWaalsContact O-N 3.1Å; I163-K166 PolarHBondContact O-N 2.93Å; K166-K168 PolarHBondContact O-N 2.88Å; K166-A169 PolarHBondContact O-N 2.93Å; K166-V170 WeakPolarHBondContact O-CG2 3.34Å; K166-V170 PolarHBondContact O-N 3.48Å
167V87Confident81.1Confident80 Ų80102.7 Ų102.749%0.48555%0.551SS.*Hα-helixtrans-62.9-42.2177.6170.90000111.3I163 D164 V170 T171I163-V167 HydrophobicContact CG2-CG2 4.33Å; I163-V167 WeakPolarHBondContact O-CB 3.35Å; I163-V167 VanDerWaalsContact O-CG2 3.28Å; I163-V167 WeakPolarHBondContact O-CG2 3.36Å; I163-V167 PolarHBondContact O-N 2.87Å; D164-V167 PolarHBondContact O-N 3.04Å; V167-V170 PolarHBondContact O-N 3.47Å; V167-T171 WeakPolarHBondContact O-CB 3.33Å; V167-T171 PolarHBondContact O-N 2.88Å; V167-T171 PolarHBondContact O-OG1 3.01Å
168K87.5Confident83.2Confident110 Ų110104.6 Ų104.648%0.47855%0.547SS..Hα-helixtrans-61.7-43174-76.1169.4176.6170.10111.6D164 G165 K166 T171 K172D164-K168 WeakPolarHBondContact O-CB 3.18Å; D164-K168 WeakPolarHBondContact O-CD 3.49Å; D164-K168 WeakPolarHBondContact O-CG 3.37Å; D164-K168 PolarHBondContact O-N 3.49Å; D164-K168 WeakPolarHBondContact OD1-CE 3.02Å; D164-K168 IonicContact OD1-NZ 2.6Å; D164-K168 WeakPolarHBondContact OD2-CE 3.35Å; D164-K168 IonicContact OD2-NZ 3.71Å; D164-K168 PolarHBondContact OD2-NZ 3.05Å; G165-K168 PolarHBondContact O-N 2.89Å; K166-K168 PolarHBondContact O-N 2.88Å; K168-T171 PolarHBondContact O-N 3.44Å; K168-K172 VanDerWaalsContact O-CG 3.3Å; K168-K172 WeakPolarHBondContact O-CG 3.48Å; K168-K172 PolarHBondContact O-N 3.43Å
169A91.4Very high85.4Confident48 Ų4899.7 Ų99.740%0.39753%0.525SS..Hα-helixtrans-62.9-47.9177.100000111.7G165 K166 T171 K172 I173G165-A169 WeakPolarHBondContact O-CB 3.13Å; G165-A169 PolarHBondContact O-N 3.46Å; K166-A169 PolarHBondContact O-N 2.93Å; A169-T171 PolarHBondContact O-N 3.18Å; A169-K172 WeakPolarHBondContact O-CB 3.19Å; A169-K172 PolarHBondContact O-N 3.24Å; A169-I173 WeakPolarHBondContact O-CG1 3.39Å; A169-I173 PolarHBondContact O-N 3.22Å
170V92.1Very high87.5Confident72 Ų7299.5 Ų99.544%0.43652%0.515SS..Hα-helixtrans-59.7-45.7176.4171.70000111K166 V167 K172 I173 Q174K166-V170 WeakPolarHBondContact O-CG2 3.34Å; K166-V170 PolarHBondContact O-N 3.48Å; V167-V170 PolarHBondContact O-N 3.47Å; V170-K172 VanDerWaalsContact C-N 3.31Å; V170-K172 PolarHBondContact O-N 3.18Å; V170-I173 PolarHBondContact O-N 3.38Å; V170-Q174 HydrophobicContact CG1-CG 4.26Å; V170-Q174 WeakPolarHBondContact O-CB 3.32Å; V170-Q174 VanDerWaalsContact O-CG 3.3Å; V170-Q174 WeakPolarHBondContact O-CG 3.46Å; V170-Q174 PolarHBondContact O-N 2.86Å
171T94.1Very high89.2Confident76 Ų7699.1 Ų99.147%0.46651%0.507SS..Hα-helixtrans-59.9-42177.9-58.50000111.4V167 K168 A169 Q174 A175V167-T171 WeakPolarHBondContact O-CB 3.33Å; V167-T171 PolarHBondContact O-N 2.88Å; V167-T171 PolarHBondContact O-OG1 3.01Å; K168-T171 PolarHBondContact O-N 3.44Å; A169-T171 PolarHBondContact O-N 3.18Å; T171-Q174 PolarHBondContact O-N 3.36Å; T171-A175 VanDerWaalsContact O-CB 3.28Å; T171-A175 WeakPolarHBondContact O-CB 3.45Å; T171-A175 PolarHBondContact O-N 2.85Å
172K95.5Very high90.7Very high159 Ų15995.5 Ų95.569%0.69149%0.491SS*.Hα-helixtrans-63.3-43.8175.5-74.9175.7-179.9-178.20112K168 A169 V170 A175 G176K168-K172 VanDerWaalsContact O-CG 3.3Å; K168-K172 WeakPolarHBondContact O-CG 3.48Å; K168-K172 PolarHBondContact O-N 3.43Å; A169-K172 WeakPolarHBondContact O-CB 3.19Å; A169-K172 PolarHBondContact O-N 3.24Å; V170-K172 VanDerWaalsContact C-N 3.31Å; V170-K172 PolarHBondContact O-N 3.18Å; K172-A175 PolarHBondContact O-N 2.87Å; K172-G176 PolarHBondContact O-N 3.41Å
173I94.6Very high91.8Very high123 Ų12398.9 Ų98.963%0.63150%0.497SS*.Hα-helixtrans-62.4-47.5177.3-68.5167.6000110.4A169 V170 A175 G176 Y177A169-I173 WeakPolarHBondContact O-CG1 3.39Å; A169-I173 PolarHBondContact O-N 3.22Å; V170-I173 PolarHBondContact O-N 3.38Å; I173-A175 PolarHBondContact O-N 3.22Å; I173-G176 PolarHBondContact O-N 3.36Å; I173-Y177 WeakPolarHBondContact O-CB 3.22Å; I173-Y177 PolarHBondContact O-N 2.85Å
174Q95.4Very high92.5Very high111 Ų111100.2 Ų100.252%0.51950%0.499SS..Hα-helixtrans-62.4-43.9178.7-71.3174.6-16.700112V170 T171 Y177 R178V170-Q174 HydrophobicContact CG1-CG 4.26Å; V170-Q174 WeakPolarHBondContact O-CB 3.32Å; V170-Q174 VanDerWaalsContact O-CG 3.3Å; V170-Q174 WeakPolarHBondContact O-CG 3.46Å; V170-Q174 PolarHBondContact O-N 2.86Å; T171-Q174 PolarHBondContact O-N 3.36Å; Q174-Y177 PolarHBondContact O-N 3.46Å; Q174-R178 WeakPolarHBondContact O-CB 3.32Å; Q174-R178 VanDerWaalsContact O-CG 3.27Å; Q174-R178 WeakPolarHBondContact O-CG 3.43Å; Q174-R178 PolarHBondContact O-N 3.41Å
175A95.3Very high93Very high60 Ų6099.4 Ų99.450%0.49650%0.501SS..Hα-helixtrans-62.7-43.6175.400000111.5T171 K172 I173 G179T171-A175 VanDerWaalsContact O-CB 3.28Å; T171-A175 WeakPolarHBondContact O-CB 3.45Å; T171-A175 PolarHBondContact O-N 2.85Å; K172-A175 PolarHBondContact O-N 2.87Å; I173-A175 PolarHBondContact O-N 3.22Å; A175-G179 PolarHBondContact O-N 2.83Å
176G96.9Very high93.1Very high36 Ų36102.5 Ų102.537%0.37151%0.512SS..Hα-helixtrans-59.1-48.1175.100000112.4K172 I173 G179 Y180K172-G176 PolarHBondContact O-N 3.41Å; I173-G176 PolarHBondContact O-N 3.36Å; G176-G179 PolarHBondContact O-N 2.89Å; G176-Y180 WeakPolarHBondContact O-CB 3.23Å; G176-Y180 PolarHBondContact O-N 3.23Å
177Y97.7Very high93Very high148 Ų14898.3 Ų98.358%0.5850%0.501SS*.Hα-helixtrans-64.6-47178.5178.7-102000112.4I173 Q174 G179 Y180 K181I173-Y177 WeakPolarHBondContact O-CB 3.22Å; I173-Y177 PolarHBondContact O-N 2.85Å; Q174-Y177 PolarHBondContact O-N 3.46Å; Y177-G179 VanDerWaalsContact C-N 3.31Å; Y177-G179 PolarHBondContact O-N 3.46Å; Y177-Y180 PolarHBondContact O-N 2.77Å; Y177-K181 WeakPolarHBondContact O-CB 3.25Å; Y177-K181 PolarHBondContact O-N 2.86Å
178R95.3Very high92.8Very high190 Ų19098 Ų9872%0.71750%0.5SS*.Hα-helixtrans-55.2-48.3174.2-77.7171143.5-159.4-5.5110.9Q174 K181 T182Q174-R178 WeakPolarHBondContact O-CB 3.32Å; Q174-R178 VanDerWaalsContact O-CG 3.27Å; Q174-R178 WeakPolarHBondContact O-CG 3.43Å; Q174-R178 PolarHBondContact O-N 3.41Å; R178-K181 PolarHBondContact O-N 2.99Å; R178-T182 PolarHBondContact O-N 3.45Å; R178-T182 VanDerWaalsContact O-N 3.11Å; R178-T182 PolarHBondContact O-OG1 2.88Å
179G96Very high92.4Very high17 Ų1798.5 Ų98.518%0.17551%0.508CS..Hα-helixtrans-63.9-42.1177.200000113.4A175 G176 Y177 T182 R183A175-G179 PolarHBondContact O-N 2.83Å; G176-G179 PolarHBondContact O-N 2.89Å; Y177-G179 VanDerWaalsContact C-N 3.31Å; Y177-G179 PolarHBondContact O-N 3.46Å; G179-T182 PolarHBondContact O-N 3.37Å; G179-R183 WeakPolarHBondContact O-CB 3.33Å; G179-R183 WeakPolarHBondContact O-CG 3.25Å; G179-R183 PolarHBondContact O-N 3.48Å; G179-R183 PolarHBondContact O-NH1 3.25Å
180Y97.4Very high91.3Very high123 Ų123100.9 Ų100.948%0.48251%0.513SS..Hα-helixtrans-60.3-46.8175.6167.4-97.9000111.2G176 Y177 T182 R183 K184G176-Y180 WeakPolarHBondContact O-CB 3.23Å; G176-Y180 PolarHBondContact O-N 3.23Å; Y177-Y180 PolarHBondContact O-N 2.77Å; Y180-T182 VanDerWaalsContact C-N 3.35Å; Y180-T182 PolarHBondContact O-N 3.23Å; Y180-R183 PolarHBondContact O-N 3.01Å; Y180-K184 HydrophobicContact CE1-CD 4.02Å; Y180-K184 VanDerWaalsContact O-CB 3.3Å; Y180-K184 WeakPolarHBondContact O-CB 3.44Å; Y180-K184 PolarHBondContact O-N 2.9Å; Y180-K184 PolarHBondContact OH-NZ 3.34Å
181K95.4Very high90.1Very high134 Ų134102.4 Ų102.458%0.58352%0.519SS*.Hα-helixtrans-57.2-47.8177.6-172.1-176.4179.9-172.30111.1Y177 R178 K184 S185Y177-K181 WeakPolarHBondContact O-CB 3.25Å; Y177-K181 PolarHBondContact O-N 2.86Å; R178-K181 PolarHBondContact O-N 2.99Å; K181-K184 PolarHBondContact O-N 2.92Å; K181-S185 PolarHBondContact O-N 3.48Å; K181-S185 VanDerWaalsContact O-N 3.08Å
182T93.6Very high88.4Confident78 Ų78105 Ų10548%0.47953%0.526SS..Hα-helixtrans-61.5-51.1176.3-58.30000111.5R178 G179 Y180 K184 S185 L186R178-T182 PolarHBondContact O-N 3.45Å; R178-T182 VanDerWaalsContact O-N 3.11Å; R178-T182 PolarHBondContact O-OG1 2.88Å; G179-T182 PolarHBondContact O-N 3.37Å; Y180-T182 VanDerWaalsContact C-N 3.35Å; Y180-T182 PolarHBondContact O-N 3.23Å; T182-K184 VanDerWaalsContact C-N 3.33Å; T182-K184 PolarHBondContact O-N 3.46Å; T182-S185 PolarHBondContact O-N 2.87Å; T182-S185 VanDerWaalsContact O-N 3.14Å; T182-S185 PolarHBondContact O-OG 2.98Å; T182-L186 HydrophobicContact CG2-CD1 3.91Å; T182-L186 HydrophobicContact CG2-CG 4.47Å; T182-L186 WeakPolarHBondContact O-CG 3.37Å; T182-L186 PolarHBondContact O-N 2.9Å
183R92.5Very high86.4Confident158 Ų158102.3 Ų102.360%0.59652%0.515SS*.Hα-helixtrans-60.3-40.9179.8-74.2-176.1-66.9-87.22.7112.5G179 Y180 S185 L186 A187G179-R183 WeakPolarHBondContact O-CB 3.33Å; G179-R183 WeakPolarHBondContact O-CG 3.25Å; G179-R183 PolarHBondContact O-N 3.48Å; G179-R183 PolarHBondContact O-NH1 3.25Å; Y180-R183 PolarHBondContact O-N 3.01Å; R183-S185 VanDerWaalsContact C-N 3.34Å; R183-S185 PolarHBondContact O-N 2.74Å; R183-L186 PolarHBondContact O-N 2.82Å; R183-A187 PolarHBondContact O-N 3.38Å
184K92.7Very high84.6Confident133 Ų133102.1 Ų102.158%0.57851%0.511SS*.Hα-helixtrans-61.7-41.1175.9-171.3176-171171.50111.9Y180 K181 T182 L186Y180-K184 HydrophobicContact CE1-CD 4.02Å; Y180-K184 VanDerWaalsContact O-CB 3.3Å; Y180-K184 WeakPolarHBondContact O-CB 3.44Å; Y180-K184 PolarHBondContact O-N 2.9Å; Y180-K184 PolarHBondContact OH-NZ 3.34Å; K181-K184 PolarHBondContact O-N 2.92Å; T182-K184 VanDerWaalsContact C-N 3.33Å; T182-K184 PolarHBondContact O-N 3.46Å; K184-L186 VanDerWaalsContact C-N 3.32Å; K184-L186 PolarHBondContact O-N 3.41Å
185S90.6Very high82.6Confident80 Ų80103.1 Ų103.156%0.55952%0.516SS*.Hα-helixtrans-68.3-29176.271.10000113.6K181 T182 R183 P188K181-S185 PolarHBondContact O-N 3.48Å; K181-S185 VanDerWaalsContact O-N 3.08Å; T182-S185 PolarHBondContact O-N 2.87Å; T182-S185 VanDerWaalsContact O-N 3.14Å; T182-S185 PolarHBondContact O-OG 2.98Å; R183-S185 VanDerWaalsContact C-N 3.34Å; R183-S185 PolarHBondContact O-N 2.74Å; S185-P188 WeakPolarHBondContact O-CD 3.3Å
186L89.2Confident80.8Confident89 Ų89104 Ų10447%0.46651%0.512SS..Hα-helixtrans-89.1-17.5-180-65.6176.5000113.7T182 R183 K184 P188 L189 L190T182-L186 HydrophobicContact CG2-CD1 3.91Å; T182-L186 HydrophobicContact CG2-CG 4.47Å; T182-L186 WeakPolarHBondContact O-CG 3.37Å; T182-L186 PolarHBondContact O-N 2.9Å; R183-L186 PolarHBondContact O-N 2.82Å; K184-L186 VanDerWaalsContact C-N 3.32Å; K184-L186 PolarHBondContact O-N 3.41Å; L186-P188 VanDerWaalsContact C-CD 3.43Å; L186-L189 HydrophobicContact CD2-CD1 3.76Å; L186-L189 WeakPolarHBondContact O-CB 2.96Å; L186-L189 PolarHBondContact O-N 3.05Å; L186-L190 PolarHBondContact O-N 2.78Å; L186-L190 VanDerWaalsContact O-N 3.13Å
187A82.9Confident78.9Confident40 Ų40106.7 Ų106.733%0.33152%0.515SS..Hα-helixtrans-53.8-41.1-17900000114.3R183 L189 L190 N191R183-A187 PolarHBondContact O-N 3.38Å; A187-L189 VanDerWaalsContact C-N 3.32Å; A187-L189 PolarHBondContact O-N 3.35Å; A187-L190 PolarHBondContact O-N 2.99Å; A187-N191 PolarHBondContact O-N 3.32Å; A187-N191 PolarHBondContact O-ND2 3.48Å
188P81.9Confident77Confident73 Ų73106.2 Ų106.247%0.47452%0.518SS..Hα-helixtrans-64-35176.6-21.433.6000113.5S185 L186 H192S185-P188 WeakPolarHBondContact O-CD 3.3Å; L186-P188 VanDerWaalsContact C-CD 3.43Å; P188-H192 WeakPolarHBondContact O-CB 3.46Å; P188-H192 PolarHBondContact O-N 3.49Å; P188-H192 PolarHBondContact O-ND1 3.12Å
189L79.5Confident75.1Confident121 Ų121101.8 Ų101.863%0.63451%0.505SS*.Hα-helixtrans-69.2-38.7178.4-67163.1000110.9L186 A187 H193L186-L189 HydrophobicContact CD2-CD1 3.76Å; L186-L189 WeakPolarHBondContact O-CB 2.96Å; L186-L189 PolarHBondContact O-N 3.05Å; A187-L189 VanDerWaalsContact C-N 3.32Å; A187-L189 PolarHBondContact O-N 3.35Å; L189-H193 WeakPolarHBondContact O-CB 3.48Å; L189-H193 PolarHBondContact O-N 3.03Å
190L69.5Low73.1Confident98 Ų98105.8 Ų105.851%0.51352%0.522SS..Hα-helixtrans-71-41.4177.3-17163.2000112L186 A187 H193 H194L186-L190 PolarHBondContact O-N 2.78Å; L186-L190 VanDerWaalsContact O-N 3.13Å; A187-L190 PolarHBondContact O-N 2.99Å; L190-H193 WeakPolarHBondContact O-CB 3.29Å; L190-H193 PolarHBondContact O-N 2.89Å; L190-H193 VanDerWaalsContact O-N 3.09Å; L190-H194 PolarHBondContact O-N 3Å
191N65.7Low71.4Confident104 Ų104104 Ų10456%0.55652%0.52SS*.Hα-helixtrans-65.6-39.6177-72.6-21.2000112.2A187 H193 H194 H195A187-N191 PolarHBondContact O-N 3.32Å; A187-N191 PolarHBondContact O-ND2 3.48Å; N191-H193 VanDerWaalsContact C-N 3.27Å; N191-H193 PolarHBondContact O-N 3.39Å; N191-H194 PolarHBondContact O-N 3.5Å; N191-H195 PolarHBondContact O-N 3.1Å
192H58Low69.6Low131 Ų13199.8 Ų99.861%0.60651%0.507SS*.Hα-helixtrans-63.8-34.9170.8-85.472.7000111.7P188 N196P188-H192 WeakPolarHBondContact O-CB 3.46Å; P188-H192 PolarHBondContact O-N 3.49Å; P188-H192 PolarHBondContact O-ND1 3.12Å; H192-N196 WeakPolarHBondContact O-CB 3.41Å; H192-N196 PolarHBondContact O-N 2.87Å; H192-N196 PolarHBondContact O-ND2 3.04Å
193H54.6Low68.3Low101 Ų10199.2 Ų99.247%0.46850%0.501SS..Hα-helixtrans-68.5-41.9177.2-162.869.3000112.2L189 L190 N191 N196 Q197L189-H193 WeakPolarHBondContact O-CB 3.48Å; L189-H193 PolarHBondContact O-N 3.03Å; L190-H193 WeakPolarHBondContact O-CB 3.29Å; L190-H193 PolarHBondContact O-N 2.89Å; L190-H193 VanDerWaalsContact O-N 3.09Å; N191-H193 VanDerWaalsContact C-N 3.27Å; N191-H193 PolarHBondContact O-N 3.39Å; H193-N196 PolarHBondContact O-N 3.42Å; H193-Q197 PolarHBondContact NE2-NE2 3.42Å; H193-Q197 WeakPolarHBondContact O-CB 3.36Å; H193-Q197 WeakPolarHBondContact O-CG 3.45Å; H193-Q197 PolarHBondContact O-N 3.16Å
194H55.7Low67.2Low119 Ų11999.6 Ų99.655%0.55151%0.507SS*.Hα-helixtrans-65.3-40.4174.8-78.4158.2000113L190 N191 Q197 H198L190-H194 PolarHBondContact O-N 3Å; N191-H194 PolarHBondContact O-N 3.5Å; H194-Q197 PolarHBondContact O-N 2.94Å; H194-H198 PolarHBondContact O-N 3.09Å
195H54.7Low65.9Low133 Ų13399.4 Ų99.462%0.61651%0.508SS*.Hα-helixtrans-64.5-41.1175.6-170.263.1000111.8N191 H199N191-H195 PolarHBondContact O-N 3.1Å; H195-H199 WeakPolarHBondContact O-CB 3.26Å; H195-H199 PolarHBondContact O-N 3.32Å
196N56.3Low65Low79 Ų7999.9 Ų99.942%0.42251%0.505SS..Hα-helixtrans-65.8-46.2174.4-80.2-62.7000111.8H192 H193 H198 H199 L200H192-N196 WeakPolarHBondContact O-CB 3.41Å; H192-N196 PolarHBondContact O-N 2.87Å; H192-N196 PolarHBondContact O-ND2 3.04Å; H193-N196 PolarHBondContact O-N 3.42Å; N196-H198 VanDerWaalsContact C-N 3.32Å; N196-H198 PolarHBondContact O-N 3.13Å; N196-H199 CarbonylContact O-C 3.49Å; N196-H199 PolarHBondContact O-N 3.05Å; N196-H199 VanDerWaalsContact O-N 3.12Å; N196-L200 VanDerWaalsContact C-CD2 3.48Å; N196-L200 HydrophobicContact CB-CD2 4.08Å; N196-L200 WeakPolarHBondContact O-CB 3.45Å; N196-L200 WeakPolarHBondContact O-CD2 3.26Å; N196-L200 PolarHBondContact O-N 3.03Å
197Q57.2Low64.1Low91 Ų91101.9 Ų101.943%0.42551%0.512SS..Hα-helixtrans-55.4-46.1177.5-73-93.7-5.200111.5H193 H194 H199 L200 I201H193-Q197 PolarHBondContact NE2-NE2 3.42Å; H193-Q197 WeakPolarHBondContact O-CB 3.36Å; H193-Q197 WeakPolarHBondContact O-CG 3.45Å; H193-Q197 PolarHBondContact O-N 3.16Å; H194-Q197 PolarHBondContact O-N 2.94Å; Q197-H199 PolarHBondContact O-N 3.06Å; Q197-L200 PolarHBondContact O-N 3.03Å; Q197-I201 VanDerWaalsContact O-CG1 3.27Å; Q197-I201 WeakPolarHBondContact O-CG1 3.32Å; Q197-I201 PolarHBondContact O-N 3.05Å
198H57.6Low63.7Low139 Ų139105.3 Ų105.364%0.64453%0.525SS*.Hα-helixtrans-66.2-37.7177.6-139.8-83.1000112.3H194 N196 I201 S202H194-H198 PolarHBondContact O-N 3.09Å; N196-H198 VanDerWaalsContact C-N 3.32Å; N196-H198 PolarHBondContact O-N 3.13Å; H198-I201 PolarHBondContact O-N 2.99Å; H198-S202 VanDerWaalsContact O-CB 3.29Å; H198-S202 WeakPolarHBondContact O-CB 3.27Å; H198-S202 PolarHBondContact O-N 2.84Å
199H55.9Low63.3Low96 Ų96107.4 Ų107.444%0.44452%0.524SS..Hα-helixtrans-67.4-35.8174-162.5-28.1000111.9H195 N196 Q197 N203H195-H199 WeakPolarHBondContact O-CB 3.26Å; H195-H199 PolarHBondContact O-N 3.32Å; N196-H199 CarbonylContact O-C 3.49Å; N196-H199 PolarHBondContact O-N 3.05Å; N196-H199 VanDerWaalsContact O-N 3.12Å; Q197-H199 PolarHBondContact O-N 3.06Å; H199-N203 PolarHBondContact CE1-ND2 3.2Å; H199-N203 PolarHBondContact CE1-OD1 3.42Å; H199-N203 VanDerWaalsContact CE1-OD1 3.24Å; H199-N203 VanDerWaalsContact ND1-CG 3.34Å; H199-N203 PolarHBondContact ND1-ND2 3.42Å; H199-N203 PolarHBondContact ND1-OD1 2.8Å; H199-N203 VanDerWaalsContact O-CB 3.23Å; H199-N203 WeakPolarHBondContact O-CB 3.07Å; H199-N203 PolarHBondContact O-N 3.4Å; H199-N203 PolarHBondContact O-ND2 2.98Å; H199-N203 PolarHBondContact O-OD1 3.31Å
200L55.2Low62.9Low102 Ų102106.1 Ų106.153%0.53452%0.517SS..Hα-helixtrans-70.1-38.9175.1-82.7-13.8000112.1N196 Q197 N203 K204N196-L200 VanDerWaalsContact C-CD2 3.48Å; N196-L200 HydrophobicContact CB-CD2 4.08Å; N196-L200 WeakPolarHBondContact O-CB 3.45Å; N196-L200 WeakPolarHBondContact O-CD2 3.26Å; N196-L200 PolarHBondContact O-N 3.03Å; Q197-L200 PolarHBondContact O-N 3.03Å; L200-N203 PolarHBondContact O-N 3.45Å; L200-K204 WeakPolarHBondContact O-CB 3.33Å; L200-K204 PolarHBondContact O-N 2.86Å
201I60.5Low63Low84 Ų84106.3 Ų106.343%0.43152%0.518SS..Hα-helixtrans-64.7-50174.2-66.4162.3000109.8Q197 H198 N203 K204 E205Q197-I201 VanDerWaalsContact O-CG1 3.27Å; Q197-I201 WeakPolarHBondContact O-CG1 3.32Å; Q197-I201 PolarHBondContact O-N 3.05Å; H198-I201 PolarHBondContact O-N 2.99Å; I201-N203 VanDerWaalsContact C-N 3.33Å; I201-N203 PolarHBondContact O-N 3.25Å; I201-K204 PolarHBondContact O-N 3.44Å; I201-E205 WeakPolarHBondContact O-CG 3.35Å; I201-E205 PolarHBondContact O-N 3.49Å
202S58.2Low63.3Low46 Ų46105.8 Ų105.832%0.32251%0.509SS..Hα-helixtrans-56.5-43.9174.6162.70000112.4H198 K204 E205 N206H198-S202 VanDerWaalsContact O-CB 3.29Å; H198-S202 WeakPolarHBondContact O-CB 3.27Å; H198-S202 PolarHBondContact O-N 2.84Å; S202-K204 VanDerWaalsContact C-N 3.32Å; S202-K204 PolarHBondContact O-N 3.27Å; S202-E205 PolarHBondContact O-N 2.99Å; S202-N206 WeakPolarHBondContact O-CB 3.48Å; S202-N206 VanDerWaalsContact O-CG 3.3Å; S202-N206 PolarHBondContact O-N 3.24Å; S202-N206 PolarHBondContact O-ND2 3.47Å
203N66.4Low64.2Low67 Ų67104.3 Ų104.336%0.35850%0.501SS..Hα-helixtrans-64.9-38176.7-73.9-16.7000111.5H199 L200 I201 Q207H199-N203 PolarHBondContact CE1-ND2 3.2Å; H199-N203 PolarHBondContact CE1-OD1 3.42Å; H199-N203 VanDerWaalsContact CE1-OD1 3.24Å; H199-N203 VanDerWaalsContact ND1-CG 3.34Å; H199-N203 PolarHBondContact ND1-ND2 3.42Å; H199-N203 PolarHBondContact ND1-OD1 2.8Å; H199-N203 VanDerWaalsContact O-CB 3.23Å; H199-N203 WeakPolarHBondContact O-CB 3.07Å; H199-N203 PolarHBondContact O-N 3.4Å; H199-N203 PolarHBondContact O-ND2 2.98Å; H199-N203 PolarHBondContact O-OD1 3.31Å; L200-N203 PolarHBondContact O-N 3.45Å; I201-N203 VanDerWaalsContact C-N 3.33Å; I201-N203 PolarHBondContact O-N 3.25Å; N203-Q207 WeakPolarHBondContact O-CB 3.41Å; N203-Q207 WeakPolarHBondContact O-CG 3.48Å; N203-Q207 PolarHBondContact O-N 3.04Å
204K68.3Low65Low165 Ų165102.4 Ų102.472%0.71750%0.497SS*.Hα-helixtrans-70.3-38.8179.1-166.3171.8-176.3177.60111.9L200 I201 S202 Q207 N208L200-K204 WeakPolarHBondContact O-CB 3.33Å; L200-K204 PolarHBondContact O-N 2.86Å; I201-K204 PolarHBondContact O-N 3.44Å; S202-K204 VanDerWaalsContact C-N 3.32Å; S202-K204 PolarHBondContact O-N 3.27Å; K204-Q207 PolarHBondContact O-N 3.49Å; K204-N208 WeakPolarHBondContact O-CB 3.42Å; K204-N208 PolarHBondContact O-N 3.08Å
205E65.7Low65.6Low129 Ų129100.1 Ų100.160%0.60349%0.488SS*.Hα-helixtrans-66.1-43.7173.3-71.5174.9170.700111.6I201 S202 Q207 N208 Y209I201-E205 WeakPolarHBondContact O-CG 3.35Å; I201-E205 PolarHBondContact O-N 3.49Å; S202-E205 PolarHBondContact O-N 2.99Å; E205-Q207 PolarHBondContact O-N 3.2Å; E205-N208 PolarHBondContact O-N 3.32Å; E205-Y209 WeakPolarHBondContact O-CB 3.45Å; E205-Y209 PolarHBondContact O-N 2.87Å
206N71.3Confident66Low90 Ų9097.9 Ų97.948%0.48148%0.478SS..Hα-helixtrans-63.9-39174.5-77.2-32.4000112.2S202 Y209 L210S202-N206 WeakPolarHBondContact O-CB 3.48Å; S202-N206 VanDerWaalsContact O-CG 3.3Å; S202-N206 PolarHBondContact O-N 3.24Å; S202-N206 PolarHBondContact O-ND2 3.47Å; N206-Y209 WeakPolarHBondContact O-CB 3.41Å; N206-Y209 PolarHBondContact O-N 2.8Å; N206-L210 WeakPolarHBondContact O-CG 3.37Å; N206-L210 PolarHBondContact O-N 3.25Å
207Q71.3Confident66.1Low131 Ų13199.6 Ų99.661%0.61248%0.483SS*.Hα-helixtrans-66.1-43.5174.9-74.6-65.8-700111.6N203 K204 E205 Y209 L210 D211N203-Q207 WeakPolarHBondContact O-CB 3.41Å; N203-Q207 WeakPolarHBondContact O-CG 3.48Å; N203-Q207 PolarHBondContact O-N 3.04Å; K204-Q207 PolarHBondContact O-N 3.49Å; E205-Q207 PolarHBondContact O-N 3.2Å; Q207-Y209 PolarHBondContact O-N 2.94Å; Q207-L210 PolarHBondContact O-N 3.46Å; Q207-D211 WeakPolarHBondContact O-CB 3.35Å; Q207-D211 PolarHBondContact O-N 2.93Å
208N74.1Confident66.2Low113 Ų113101.2 Ų101.260%0.60449%0.491SS*.Hα-helixtrans-60.5-37.6172.5-165.3-32.7000110.9K204 E205 D211 Y212K204-N208 WeakPolarHBondContact O-CB 3.42Å; K204-N208 PolarHBondContact O-N 3.08Å; E205-N208 PolarHBondContact O-N 3.32Å; N208-D211 PolarHBondContact O-N 3.03Å; N208-Y212 WeakPolarHBondContact O-CD1 3.44Å; N208-Y212 PolarHBondContact O-N 3.07Å
209Y73.9Confident66.1Low116 Ų116100.4 Ų100.446%0.45548%0.482SS..Hα-helixtrans-62-48.1175.7-177.2-76.6000112.4E205 N206 Q207 D211 Y212 K213E205-Y209 WeakPolarHBondContact O-CB 3.45Å; E205-Y209 PolarHBondContact O-N 2.87Å; N206-Y209 WeakPolarHBondContact O-CB 3.41Å; N206-Y209 PolarHBondContact O-N 2.8Å; Q207-Y209 PolarHBondContact O-N 2.94Å; Y209-D211 VanDerWaalsContact C-N 3.35Å; Y209-Y212 AromaticContact CD1-CE1 3.99Å; Y209-Y212 HydrophobicContact CD1-CE1 3.99Å; Y209-Y212 HydrophobicContact CD2-CD1 4.49Å; Y209-Y212 AromaticContact CD2-CE1 3.27Å; Y209-Y212 HydrophobicContact CD2-CE1 3.27Å; Y209-Y212 AromaticContact CD2-CZ 3.61Å; Y209-Y212 WeakPolarHBondContact CD2-OH 3.36Å; Y209-Y212 HydrophobicContact CE1-CE1 4.44Å; Y209-Y212 WeakPolarHBondContact CE1-OH 3.41Å; Y209-Y212 AromaticContact CE2-CE1 3.82Å; Y209-Y212 HydrophobicContact CE2-CE1 3.82Å; Y209-Y212 AromaticContact CE2-CZ 3.64Å; Y209-Y212 WeakPolarHBondContact CE2-OH 3.48Å; Y209-Y212 HydrophobicContact CG-CD1 4.33Å; Y209-Y212 AromaticContact CG-CE1 3.35Å; Y209-Y212 HydrophobicContact CG-CE1 3.35Å; Y209-Y212 AromaticContact CG-CZ 3.84Å; Y209-Y212 AromaticContact CZ-CZ 3.86Å; Y209-Y212 WeakPolarHBondContact O-CD1 3.32Å; Y209-Y212 WeakPolarHBondContact O-CE1 3.47Å; Y209-Y212 PolarHBondContact OH-OH 3.15Å; Y209-K213 HydrophobicContact CE1-CD 4.13Å; Y209-K213 WeakPolarHBondContact O-CB 3.42Å; Y209-K213 PolarHBondContact O-N 3.46Å; Y209-K213 VanDerWaalsContact O-N 3.14Å
210L69.9Low65.9Low94 Ų94100.7 Ų100.749%0.49249%0.487SS..Hα-helixtrans-66.8-38.1178.4-67.6-177.2000111.7N206 Q207 K213 T214N206-L210 WeakPolarHBondContact O-CG 3.37Å; N206-L210 PolarHBondContact O-N 3.25Å; Q207-L210 PolarHBondContact O-N 3.46Å; L210-K213 PolarHBondContact O-N 2.69Å; L210-T214 WeakPolarHBondContact O-CB 3.44Å; L210-T214 PolarHBondContact O-N 2.69Å; L210-T214 PolarHBondContact O-OG1 3.29Å
211D73Confident65.9Low102 Ų102101.4 Ų101.455%0.54549%0.491SS..Hα-helixtrans-65.1-46.9179.4-152.135.6000111.2Q207 N208 Y209 K213 T214 I215Q207-D211 WeakPolarHBondContact O-CB 3.35Å; Q207-D211 PolarHBondContact O-N 2.93Å; N208-D211 PolarHBondContact O-N 3.03Å; Y209-D211 VanDerWaalsContact C-N 3.35Å; D211-K213 VanDerWaalsContact C-N 3.28Å; D211-K213 PolarHBondContact O-N 3.21Å; D211-T214 PolarHBondContact O-N 3.14Å; D211-I215 WeakPolarHBondContact O-CB 3.49Å; D211-I215 WeakPolarHBondContact O-CD1 3.4Å; D211-I215 WeakPolarHBondContact O-CG1 3.35Å; D211-I215 PolarHBondContact O-N 3.36Å
212Y70.9Confident65.5Low93 Ų93100.9 Ų100.937%0.36550%0.495SS..Hα-helixtrans-62.6-37.3175.288.7-109.7000111.6N208 Y209 I215 Q216N208-Y212 WeakPolarHBondContact O-CD1 3.44Å; N208-Y212 PolarHBondContact O-N 3.07Å; Y209-Y212 AromaticContact CD1-CE1 3.99Å; Y209-Y212 HydrophobicContact CD1-CE1 3.99Å; Y209-Y212 HydrophobicContact CD2-CD1 4.49Å; Y209-Y212 AromaticContact CD2-CE1 3.27Å; Y209-Y212 HydrophobicContact CD2-CE1 3.27Å; Y209-Y212 AromaticContact CD2-CZ 3.61Å; Y209-Y212 WeakPolarHBondContact CD2-OH 3.36Å; Y209-Y212 HydrophobicContact CE1-CE1 4.44Å; Y209-Y212 WeakPolarHBondContact CE1-OH 3.41Å; Y209-Y212 AromaticContact CE2-CE1 3.82Å; Y209-Y212 HydrophobicContact CE2-CE1 3.82Å; Y209-Y212 AromaticContact CE2-CZ 3.64Å; Y209-Y212 WeakPolarHBondContact CE2-OH 3.48Å; Y209-Y212 HydrophobicContact CG-CD1 4.33Å; Y209-Y212 AromaticContact CG-CE1 3.35Å; Y209-Y212 HydrophobicContact CG-CE1 3.35Å; Y209-Y212 AromaticContact CG-CZ 3.84Å; Y209-Y212 AromaticContact CZ-CZ 3.86Å; Y209-Y212 WeakPolarHBondContact O-CD1 3.32Å; Y209-Y212 WeakPolarHBondContact O-CE1 3.47Å; Y209-Y212 PolarHBondContact OH-OH 3.15Å; Y212-I215 PolarHBondContact O-N 3.02Å; Y212-Q216 HydrophobicContact CD2-CG 4.29Å; Y212-Q216 WeakPolarHBondContact O-CB 3.47Å; Y212-Q216 WeakPolarHBondContact O-CG 3.3Å; Y212-Q216 PolarHBondContact O-N 3.43Å
213K77.8Confident65Low100 Ų100104 Ų10444%0.43551%0.508SS..Hα-helixtrans-69.6-39.9-178-173.1172.7-178.2177.50111.3Y209 L210 D211 Q216 Q217Y209-K213 HydrophobicContact CE1-CD 4.13Å; Y209-K213 WeakPolarHBondContact O-CB 3.42Å; Y209-K213 PolarHBondContact O-N 3.46Å; Y209-K213 VanDerWaalsContact O-N 3.14Å; L210-K213 PolarHBondContact O-N 2.69Å; D211-K213 VanDerWaalsContact C-N 3.28Å; D211-K213 PolarHBondContact O-N 3.21Å; K213-Q216 PolarHBondContact O-N 3.11Å; K213-Q217 PolarHBondContact O-N 2.73Å
214T71.9Confident64.1Low62 Ų62105 Ų10538%0.3852%0.52SS..Hα-helixtrans-63-46.5171.9-60.90000110.7L210 D211 Q216 Q217 E218L210-T214 WeakPolarHBondContact O-CB 3.44Å; L210-T214 PolarHBondContact O-N 2.69Å; L210-T214 PolarHBondContact O-OG1 3.29Å; D211-T214 PolarHBondContact O-N 3.14Å; T214-Q216 VanDerWaalsContact C-N 3.25Å; T214-Q216 PolarHBondContact O-N 3.5Å; T214-Q217 PolarHBondContact O-N 3.08Å; T214-E218 HydrophobicContact CG2-CG 4.43Å; T214-E218 WeakPolarHBondContact O-CB 2.83Å; T214-E218 WeakPolarHBondContact O-CG 3.39Å; T214-E218 PolarHBondContact O-N 3.47Å
215I67.9Low63.1Low70 Ų70104.3 Ų104.336%0.35952%0.52SS..Hα-helixtrans-62.9-31.8177.4-63.7163.8000111.5D211 Y212 R219D211-I215 WeakPolarHBondContact O-CB 3.49Å; D211-I215 WeakPolarHBondContact O-CD1 3.4Å; D211-I215 WeakPolarHBondContact O-CG1 3.35Å; D211-I215 PolarHBondContact O-N 3.36Å; Y212-I215 PolarHBondContact O-N 3.02Å; I215-R219 WeakPolarHBondContact O-CB 3.34Å; I215-R219 VanDerWaalsContact O-CG 3.28Å; I215-R219 WeakPolarHBondContact O-CG 3.22Å; I215-R219 PolarHBondContact O-N 2.98Å; I215-R219 VanDerWaalsContact O-N 3.14Å; I215-R219 PolarHBondContact O-NE 2.69Å; I215-R219 VanDerWaalsContact O-NE 3.17Å
216Q62.7Low62.2Low87 Ų87105.3 Ų105.341%0.40753%0.526SS..Hα-helixtrans-74.1-43.3174.2-68.1-90.290.300111.4Y212 K213 T214 E218 R219 D220Y212-Q216 HydrophobicContact CD2-CG 4.29Å; Y212-Q216 WeakPolarHBondContact O-CB 3.47Å; Y212-Q216 WeakPolarHBondContact O-CG 3.3Å; Y212-Q216 PolarHBondContact O-N 3.43Å; K213-Q216 PolarHBondContact O-N 3.11Å; T214-Q216 VanDerWaalsContact C-N 3.25Å; T214-Q216 PolarHBondContact O-N 3.5Å; Q216-E218 VanDerWaalsContact C-N 3.33Å; Q216-E218 PolarHBondContact O-N 2.83Å; Q216-R219 CarbonylContact O-C 3.56Å; Q216-R219 WeakPolarHBondContact O-CB 3.44Å; Q216-R219 PolarHBondContact O-N 3.19Å; Q216-R219 VanDerWaalsContact O-N 3.13Å; Q216-R219 VanDerWaalsContact OE1-NH1 3.11Å; Q216-R219 VanDerWaalsContact OE1-NH2 3.12Å; Q216-D220 PolarHBondContact O-N 2.94Å
217Q58.8Low61.1Low114 Ų114106.7 Ų106.753%0.53353%0.533SS..Hα-helixtrans-63.1-37174.5-97.6179.8-27.400112.8K213 T214 D220 N221K213-Q217 PolarHBondContact O-N 2.73Å; T214-Q217 PolarHBondContact O-N 3.08Å; Q217-D220 PolarHBondContact O-N 3.37Å; Q217-N221 VanDerWaalsContact O-CB 3.23Å; Q217-N221 WeakPolarHBondContact O-CB 3.47Å; Q217-N221 VanDerWaalsContact O-CG 3.28Å; Q217-N221 PolarHBondContact O-N 3.41Å; Q217-N221 PolarHBondContact O-ND2 3.48Å
218E58.1Low59.9Low125 Ų125106.3 Ų106.358%0.58454%0.54SS*.Hα-helixtrans-68.3-34.9173.3-72.9-179.7-176.300111.6T214 Q216 S222T214-E218 HydrophobicContact CG2-CG 4.43Å; T214-E218 WeakPolarHBondContact O-CB 2.83Å; T214-E218 WeakPolarHBondContact O-CG 3.39Å; T214-E218 PolarHBondContact O-N 3.47Å; Q216-E218 VanDerWaalsContact C-N 3.33Å; Q216-E218 PolarHBondContact O-N 2.83Å; E218-S222 VanDerWaalsContact O-CB 3.24Å; E218-S222 WeakPolarHBondContact O-CB 3.28Å; E218-S222 PolarHBondContact O-N 2.81Å; E218-S222 PolarHBondContact O-OG 3.24Å
219R56.3Low59Low122 Ų122108.7 Ų108.746%0.4654%0.542SS..Hα-helixtrans-70.5-36.2172.8-80.8-175.4-84.9166.5-9.9113.3I215 Q216 S222 N223I215-R219 WeakPolarHBondContact O-CB 3.34Å; I215-R219 VanDerWaalsContact O-CG 3.28Å; I215-R219 WeakPolarHBondContact O-CG 3.22Å; I215-R219 PolarHBondContact O-N 2.98Å; I215-R219 VanDerWaalsContact O-N 3.14Å; I215-R219 PolarHBondContact O-NE 2.69Å; I215-R219 VanDerWaalsContact O-NE 3.17Å; Q216-R219 CarbonylContact O-C 3.56Å; Q216-R219 WeakPolarHBondContact O-CB 3.44Å; Q216-R219 PolarHBondContact O-N 3.19Å; Q216-R219 VanDerWaalsContact O-N 3.13Å; Q216-R219 VanDerWaalsContact OE1-NH1 3.11Å; Q216-R219 VanDerWaalsContact OE1-NH2 3.12Å; R219-S222 WeakPolarHBondContact CA-OG 3.27Å; R219-S222 PolarHBondContact O-OG 2.91Å; R219-N223 VanDerWaalsContact O-CB 3.25Å; R219-N223 WeakPolarHBondContact O-CB 3.46Å; R219-N223 PolarHBondContact O-N 3.26Å; R219-N223 PolarHBondContact O-ND2 3.4Å; R219-N223 VanDerWaalsContact O-ND2 3.09Å
220D52.2Low58Low103 Ų103106.8 Ų106.855%0.55155%0.545SS*.Hα-helixtrans-76.7-37178-68-25.2000111.4Q216 Q217 S224Q216-D220 PolarHBondContact O-N 2.94Å; Q217-D220 PolarHBondContact O-N 3.37Å; D220-S224 WeakPolarHBondContact O-CB 3.36Å; D220-S224 PolarHBondContact O-N 3.4Å
221N54.4Low57.6Low117 Ų117109.9 Ų109.963%0.62656%0.562SS**Hα-helixtrans-72.6-32.5175-75.1-27.1000112.9Q217Q217-N221 VanDerWaalsContact O-CB 3.23Å; Q217-N221 WeakPolarHBondContact O-CB 3.47Å; Q217-N221 VanDerWaalsContact O-CG 3.28Å; Q217-N221 PolarHBondContact O-N 3.41Å; Q217-N221 PolarHBondContact O-ND2 3.48Å
222S52.1Low57.3Low72 Ų72114.9 Ų114.950%0.50357%0.574SS.*Hα-helixtrans-79-29.9174.655.40000113.3E218 R219E218-S222 VanDerWaalsContact O-CB 3.24Å; E218-S222 WeakPolarHBondContact O-CB 3.28Å; E218-S222 PolarHBondContact O-N 2.81Å; E218-S222 PolarHBondContact O-OG 3.24Å; R219-S222 WeakPolarHBondContact CA-OG 3.27Å; R219-S222 PolarHBondContact O-OG 2.91Å
223N48.9Very low57.5Low111 Ų111113.6 Ų113.659%0.59457%0.573SS**Hα-helixtrans-81.4-21.1173.1-81.5-45.8000114.1R219 H225R219-N223 VanDerWaalsContact O-CB 3.25Å; R219-N223 WeakPolarHBondContact O-CB 3.46Å; R219-N223 PolarHBondContact O-N 3.26Å; R219-N223 PolarHBondContact O-ND2 3.4Å; R219-N223 VanDerWaalsContact O-ND2 3.09Å; N223-H225 VanDerWaalsContact C-N 3.28Å; N223-H225 PolarHBondContact O-N 2.87Å
224S47.1Very low57.7Low89 Ų89113.8 Ų113.862%0.62259%0.585SS**THydrogen-bonded Turntrans-72.7-19175.9-169.60000113.1D220D220-S224 WeakPolarHBondContact O-CB 3.36Å; D220-S224 PolarHBondContact O-N 3.4Å
225H47.7Very low58.3Low151 Ų151117.9 Ų117.970%0.69960%0.6SS**THydrogen-bonded Turntrans-1002.6-178.5-146.665.9000115.3N223N223-H225 VanDerWaalsContact C-N 3.28Å; N223-H225 PolarHBondContact O-N 2.87Å
226M46.9Very low59.1Low149 Ų149117 Ų11773%0.73460%0.596SS**SBendtrans-121.415.9-180-71.6-68.9145.100113.4
227N46.4Very low60.2Low120 Ų120115.1 Ų115.164%0.64260%0.595SS**  trans-129.928.1-178.1-152.9-0.3000113.4Y229N227-Y229 PolarHBondContact O-N 3.09Å; N227-Y229 VanDerWaalsContact OD1-CD2 3.31Å; N227-Y229 WeakPolarHBondContact OD1-CD2 3.35Å
228T47.9Very low61.7Low122 Ų122111.7 Ų111.775%0.74859%0.586SS**  trans-91.562.4162.551.40000108.9S230T228-S230 PolarHBondContact O-N 3.29Å
229Y55.3Low63.2Low164 Ų164109.3 Ų109.364%0.64358%0.58SS**  trans-59.6102.6166.6-81.4-87.6000108.1N227 L231 L236N227-Y229 PolarHBondContact O-N 3.09Å; N227-Y229 VanDerWaalsContact OD1-CD2 3.31Å; N227-Y229 WeakPolarHBondContact OD1-CD2 3.35Å; Y229-L231 PolarHBondContact O-N 3.3Å; Y229-L236 HydrophobicContact CD1-CD2 3.77Å; Y229-L236 HydrophobicContact CE1-CD2 4.22Å
230S53Low64.9Low75 Ų75109.6 Ų109.652%0.52459%0.585SS.*  trans-56.1104.4165.5-178.90000107.5T228 Y232 D233T228-S230 PolarHBondContact O-N 3.29Å; S230-Y232 PolarHBondContact O-N 3.21Å; S230-D233 PolarHBondContact O-N 3.26Å
231L59.6Low66.9Low160 Ų160110.2 Ų110.284%0.83859%0.587SS**THydrogen-bonded Turntrans-59.7-4.8178.6-171.560.6000112.5Y229Y229-L231 PolarHBondContact O-N 3.3Å
232Y66.5Low68.8Low206 Ų206111 Ų11181%0.80859%0.587SS**THydrogen-bonded Turntrans-12627.9-177.6-75.1-84.6000113.8S230 P234S230-Y232 PolarHBondContact O-N 3.21Å; Y232-P234 WeakPolarHBondContact O-CD 3.3Å
233D76.2Confident70.7Confident66 Ų66110.5 Ų110.535%0.35359%0.587SS.*  trans-80.6108.6170.5-176.84.7000111.1S230 E235 L236 A237S230-D233 PolarHBondContact O-N 3.26Å; D233-E235 PolarHBondContact O-N 3.45Å; D233-E235 WeakPolarHBondContact OD1-CB 3.48Å; D233-E235 PolarHBondContact OD1-N 2.87Å; D233-L236 HydrophobicContact CB-CB 3.99Å; D233-L236 PolarHBondContact O-N 3.44Å; D233-A237 PolarHBondContact O-N 2.85Å
234P82.3Confident73Confident105 Ų105109.6 Ų109.668%0.68259%0.586SS**Hα-helixtrans-60.4-26.317826-34.5000112.8Y232 A238Y232-P234 WeakPolarHBondContact O-CD 3.3Å; P234-A238 VanDerWaalsContact O-CB 3.31Å; P234-A238 WeakPolarHBondContact O-CB 3.3Å; P234-A238 PolarHBondContact O-N 3.49Å
235E84.4Confident75.3Confident148 Ų148110.8 Ų110.869%0.69258%0.58SS**Hα-helixtrans-75.4-40.4-179.8-162.2166.5-164.800111.5D233 A238 T239D233-E235 PolarHBondContact O-N 3.45Å; D233-E235 WeakPolarHBondContact OD1-CB 3.48Å; D233-E235 PolarHBondContact OD1-N 2.87Å; E235-A238 PolarHBondContact O-N 2.9Å; E235-T239 WeakPolarHBondContact O-CB 3.33Å; E235-T239 PolarHBondContact O-N 2.91Å; E235-T239 PolarHBondContact O-OG1 2.78Å
236L83.6Confident77.4Confident51 Ų51112.7 Ų112.727%0.26758%0.581SS.*Hα-helixtrans-64.4-41.7171.1-176.164.5000111.7Y229 D233 T239 K240Y229-L236 HydrophobicContact CD1-CD2 3.77Å; Y229-L236 HydrophobicContact CE1-CD2 4.22Å; D233-L236 HydrophobicContact CB-CB 3.99Å; D233-L236 PolarHBondContact O-N 3.44Å; L236-T239 PolarHBondContact O-N 2.69Å; L236-K240 WeakPolarHBondContact O-CG 3.36Å; L236-K240 PolarHBondContact O-N 2.99Å
237A86Confident79.7Confident48 Ų48106.4 Ų106.440%0.39756%0.555SS.*Hα-helixtrans-61.6-46.2175.400000111.3D233 T239 K240 I241D233-A237 PolarHBondContact O-N 2.85Å; A237-T239 VanDerWaalsContact C-N 3.34Å; A237-T239 PolarHBondContact O-N 2.96Å; A237-K240 PolarHBondContact O-N 3.38Å; A237-I241 WeakPolarHBondContact O-CG1 3.5Å; A237-I241 PolarHBondContact O-N 3.46Å
238A90.6Very high81.9Confident42 Ų42106.5 Ų106.535%0.34755%0.547SS..Hα-helixtrans-58.9-44.6174.700000111.6P234 E235 K240 I241 Q242P234-A238 VanDerWaalsContact O-CB 3.31Å; P234-A238 WeakPolarHBondContact O-CB 3.3Å; P234-A238 PolarHBondContact O-N 3.49Å; E235-A238 PolarHBondContact O-N 2.9Å; A238-K240 PolarHBondContact O-N 3.46Å; A238-I241 PolarHBondContact O-N 3.44Å; A238-Q242 WeakPolarHBondContact O-CB 3.22Å; A238-Q242 VanDerWaalsContact O-CG 3.26Å; A238-Q242 WeakPolarHBondContact O-CG 3.33Å; A238-Q242 PolarHBondContact O-N 3.18Å
239T90Very high84Confident75 Ų75107.2 Ų107.246%0.4654%0.536SS..Hα-helixtrans-60-43.9177.6-59.60000111.7E235 L236 A237 Q242 A243E235-T239 WeakPolarHBondContact O-CB 3.33Å; E235-T239 PolarHBondContact O-N 2.91Å; E235-T239 PolarHBondContact O-OG1 2.78Å; L236-T239 PolarHBondContact O-N 2.69Å; A237-T239 VanDerWaalsContact C-N 3.34Å; A237-T239 PolarHBondContact O-N 2.96Å; T239-Q242 PolarHBondContact O-N 2.96Å; T239-A243 WeakPolarHBondContact O-CB 3.1Å; T239-A243 PolarHBondContact O-N 2.6Å
240K92.4Very high85.7Confident128 Ų128103.8 Ų103.856%0.55753%0.532SS*.Hα-helixtrans-62.8-43.1175.8-73.3176.5179.6178.70111.9L236 A237 A238 A243 T244L236-K240 WeakPolarHBondContact O-CG 3.36Å; L236-K240 PolarHBondContact O-N 2.99Å; A237-K240 PolarHBondContact O-N 3.38Å; A238-K240 PolarHBondContact O-N 3.46Å; K240-A243 PolarHBondContact O-N 2.94Å; K240-T244 VanDerWaalsContact O-CG2 3.32Å; K240-T244 WeakPolarHBondContact O-CG2 3.49Å; K240-T244 PolarHBondContact O-N 3.37Å; K240-T244 PolarHBondContact O-OG1 3.21Å
241I92.9Very high87.5Confident116 Ų116107.6 Ų107.660%0.59554%0.535SS*.Hα-helixtrans-64.8-43177.4-67.9167.7000111.2A237 A238 A243 T244 F245A237-I241 WeakPolarHBondContact O-CG1 3.5Å; A237-I241 PolarHBondContact O-N 3.46Å; A238-I241 PolarHBondContact O-N 3.44Å; I241-A243 PolarHBondContact O-N 3.47Å; I241-T244 PolarHBondContact O-N 2.9Å; I241-T244 PolarHBondContact O-OG1 2.87Å; I241-F245 WeakPolarHBondContact O-CB 3.4Å; I241-F245 PolarHBondContact O-N 3.44Å
242Q94.2Very high89Confident132 Ų132106.8 Ų106.862%0.61752%0.521SS*.Hα-helixtrans-63.7-42177.1-71.9172.4-4.400111.7A238 T239 F245 R246A238-Q242 WeakPolarHBondContact O-CB 3.22Å; A238-Q242 VanDerWaalsContact O-CG 3.26Å; A238-Q242 WeakPolarHBondContact O-CG 3.33Å; A238-Q242 PolarHBondContact O-N 3.18Å; T239-Q242 PolarHBondContact O-N 2.96Å; Q242-F245 PolarHBondContact O-N 3.48Å; Q242-R246 WeakPolarHBondContact O-CB 3.32Å; Q242-R246 PolarHBondContact O-N 3.21Å
243A93.8Very high89.8Confident62 Ų62103.4 Ų103.451%0.51251%0.512SS..Hα-helixtrans-64.2-45.3177.700000111.9T239 K240 I241 R246 G247T239-A243 WeakPolarHBondContact O-CB 3.1Å; T239-A243 PolarHBondContact O-N 2.6Å; K240-A243 PolarHBondContact O-N 2.94Å; I241-A243 PolarHBondContact O-N 3.47Å; A243-R246 PolarHBondContact O-N 3.16Å; A243-G247 PolarHBondContact O-N 2.87Å
244T95.5Very high90.1Very high92 Ų92105.6 Ų105.656%0.56452%0.523SS*.Hα-helixtrans-64.8-41.6177.755.80000111.7K240 I241 G247 Y248K240-T244 VanDerWaalsContact O-CG2 3.32Å; K240-T244 WeakPolarHBondContact O-CG2 3.49Å; K240-T244 PolarHBondContact O-N 3.37Å; K240-T244 PolarHBondContact O-OG1 3.21Å; I241-T244 PolarHBondContact O-N 2.9Å; I241-T244 PolarHBondContact O-OG1 2.87Å; T244-G247 PolarHBondContact O-N 3.08Å; T244-Y248 WeakPolarHBondContact O-CB 3.28Å; T244-Y248 PolarHBondContact O-N 3.12Å
245F95.3Very high89.9Confident114 Ų114106.4 Ų106.450%0.553%0.528SS..Hα-helixtrans-64.8-43176.3-176.2-109.5000112.5I241 Q242 G247 Y248 R249I241-F245 WeakPolarHBondContact O-CB 3.4Å; I241-F245 PolarHBondContact O-N 3.44Å; Q242-F245 PolarHBondContact O-N 3.48Å; F245-G247 VanDerWaalsContact C-N 3.34Å; F245-G247 PolarHBondContact O-N 2.94Å; F245-Y248 PolarHBondContact O-N 2.88Å; F245-R249 HydrophobicContact CD1-CG 4.4Å; F245-R249 VanDerWaalsContact CE1-CD 3.43Å; F245-R249 HydrophobicContact CE1-CG 4.07Å; F245-R249 HydrophobicContact CE2-CG 4.42Å; F245-R249 HydrophobicContact CZ-CG 4.07Å; F245-R249 WeakPolarHBondContact O-CG 3.38Å; F245-R249 PolarHBondContact O-N 3.1Å
246R93.1Very high89.4Confident191 Ų191112.8 Ų112.872%0.72155%0.554SS**Hα-helixtrans-59.6-45.4174.4-175.913069.3127-3.1111Q242 A243 Y248 R249 T250Q242-R246 WeakPolarHBondContact O-CB 3.32Å; Q242-R246 PolarHBondContact O-N 3.21Å; A243-R246 PolarHBondContact O-N 3.16Å; R246-Y248 PolarHBondContact O-N 3.42Å; R246-R249 PolarHBondContact O-N 3.32Å; R246-T250 PolarHBondContact O-N 3.47Å; R246-T250 VanDerWaalsContact O-N 3.07Å; R246-T250 PolarHBondContact O-OG1 3.1Å; R246-T250 VanDerWaalsContact O-OG1 3.11Å
247G94.2Very high89.7Confident18 Ų18115.9 Ų115.919%0.18657%0.568CS.*Hα-helixtrans-61.7-41.317500000113.4A243 T244 F245 T250 R251A243-G247 PolarHBondContact O-N 2.87Å; T244-G247 PolarHBondContact O-N 3.08Å; F245-G247 VanDerWaalsContact C-N 3.34Å; F245-G247 PolarHBondContact O-N 2.94Å; G247-T250 PolarHBondContact O-N 3.48Å; G247-R251 WeakPolarHBondContact O-CG 3.24Å; G247-R251 VanDerWaalsContact O-CZ 3.31Å; G247-R251 PolarHBondContact O-N 2.7Å; G247-R251 PolarHBondContact O-NE 3.11Å
248Y93.9Very high89.9Confident122 Ų122119.5 Ų119.548%0.47858%0.577SS.*Hα-helixtrans-62-45.2175.8169.8-97000111.7T244 F245 R246 T250 R251 R252T244-Y248 WeakPolarHBondContact O-CB 3.28Å; T244-Y248 PolarHBondContact O-N 3.12Å; F245-Y248 PolarHBondContact O-N 2.88Å; R246-Y248 PolarHBondContact O-N 3.42Å; Y248-T250 VanDerWaalsContact C-N 3.33Å; Y248-T250 PolarHBondContact O-N 3.14Å; Y248-R251 PolarHBondContact O-N 3.46Å; Y248-R252 WeakPolarHBondContact O-CB 3.42Å; Y248-R252 PolarHBondContact O-N 3.19Å
249R90.8Very high89.8Confident136 Ų136123.8 Ų123.851%0.51359%0.59SS.*Hα-helixtrans-59.5-42.8176.1-74.9-174.867.3156.13.2112.3F245 R246 H253F245-R249 HydrophobicContact CD1-CG 4.4Å; F245-R249 VanDerWaalsContact CE1-CD 3.43Å; F245-R249 HydrophobicContact CE1-CG 4.07Å; F245-R249 HydrophobicContact CE2-CG 4.42Å; F245-R249 HydrophobicContact CZ-CG 4.07Å; F245-R249 WeakPolarHBondContact O-CG 3.38Å; F245-R249 PolarHBondContact O-N 3.1Å; R246-R249 PolarHBondContact O-N 3.32Å; R249-H253 PolarHBondContact O-ND1 3.33Å
250T90.7Very high89.8Confident92 Ų92126.6 Ų126.656%0.56460%0.598SS**Hα-helixtrans-63.5-46.7176.2-55.90000110.9R246 G247 Y248 R252 H253R246-T250 PolarHBondContact O-N 3.47Å; R246-T250 VanDerWaalsContact O-N 3.07Å; R246-T250 PolarHBondContact O-OG1 3.1Å; R246-T250 VanDerWaalsContact O-OG1 3.11Å; G247-T250 PolarHBondContact O-N 3.48Å; Y248-T250 VanDerWaalsContact C-N 3.33Å; Y248-T250 PolarHBondContact O-N 3.14Å; T250-R252 VanDerWaalsContact C-N 3.31Å; T250-R252 PolarHBondContact O-N 3.36Å; T250-H253 PolarHBondContact O-N 3.32Å
251R92.6Very high89.7Confident156 Ų156126.6 Ų126.659%0.58960%0.6SS**Hα-helixtrans-67.9-27.4-177.7-73.1-177.1-65.5-91.61.7114.2G247 Y248 H253 L254G247-R251 WeakPolarHBondContact O-CG 3.24Å; G247-R251 VanDerWaalsContact O-CZ 3.31Å; G247-R251 PolarHBondContact O-N 2.7Å; G247-R251 PolarHBondContact O-NE 3.11Å; Y248-R251 PolarHBondContact O-N 3.46Å; R251-H253 VanDerWaalsContact C-N 3.25Å; R251-H253 PolarHBondContact O-N 3.14Å; R251-L254 HydrophobicContact CG-CD1 4.41Å; R251-L254 PolarHBondContact O-N 2.8Å
252R89.9Confident89.5Confident142 Ų142127.3 Ų127.354%0.53660%0.601SS.*Hα-helixtrans-66.8-23.6-179.9-165.1178.769.7-161.94113.8Y248 T250Y248-R252 WeakPolarHBondContact O-CB 3.42Å; Y248-R252 PolarHBondContact O-N 3.19Å; T250-R252 VanDerWaalsContact C-N 3.31Å; T250-R252 PolarHBondContact O-N 3.36Å
253H84.1Confident89.1Confident136 Ų136126.9 Ų126.963%0.6360%0.6SS**THydrogen-bonded Turntrans-101.12.2-179.7-56.888.3000112.9R249 T250 R251R249-H253 PolarHBondContact O-ND1 3.33Å; T250-H253 PolarHBondContact O-N 3.32Å; R251-H253 VanDerWaalsContact C-N 3.25Å; R251-H253 PolarHBondContact O-N 3.14Å
254L82.6Confident88.8Confident112 Ų112131.9 Ų131.959%0.58661%0.606SS**SBendtrans-79.7130.2170.9-70.3164.3000108.3R251R251-L254 HydrophobicContact CG-CD1 4.41Å; R251-L254 PolarHBondContact O-N 2.8Å
255P77.9Confident88.2Confident121 Ų121135.3 Ų135.379%0.78661%0.61SS**  trans-59.3141.8170.425.3-31.3000109.4
256K73.3Confident87.5Confident283 Ų283137.2 Ų137.2100%1.2362%0.62SS**  trans-65.50173.3-78.1-176.5177.51770111.4

Retrieved 256 of 256 residues in 104.8 ms (Link to these results)