A0A087YPE4_POEFO Loading...

Ess-2 splicing factor homolog

AlphaFold DB , UniProt , Accession A0A087YPE4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 393 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
1M51.3Low56.5Low198 Ų198143.3 Ų143.398%0.97573%0.732SS**  0-35.70-65.6-60.3-91.500113.8
2R57.2Low55.5Low226 Ų226143.8 Ų143.885%0.85374%0.736SS**Hα-helixtrans-75.9-31.7-179.6-131.4-177.1-98.7178.1-5.8114.7
3E56.2Low54.8Low151 Ų151144.2 Ų144.271%0.70674%0.741SS**Hα-helixtrans-76.9-27.2-178.1-75-177.6137.300114.6I6E3-I6 PolarHBondContact O-N 3.33Å
4I58.7Low53.9Low107 Ų107148.6 Ų148.655%0.54975%0.752SS.*Hα-helixtrans-75.2-34-177.2-55.3170.8000110.4I6 R7 Y8I4-I6 VanDerWaalsContact C-N 3.28Å; I4-I6 PolarHBondContact O-N 2.98Å; I4-R7 PolarHBondContact O-N 3.16Å; I4-Y8 HydrophobicContact CG2-CD2 4.11Å; I4-Y8 PolarHBondContact O-N 3.3Å
5S59.8Low53.2Low88 Ų88146.1 Ų146.162%0.61575%0.754SS**Hα-helixtrans-68.4-22.9176.6-58.40000113.9G9S5-G9 PolarHBondContact O-N 3.38Å
6I65.1Low52.4Low142 Ų142144.4 Ų144.473%0.72875%0.752SS**Hα-helixtrans-81.9-34.5178.5-61.2170.9000110.8E3 I4E3-I6 PolarHBondContact O-N 3.33Å; I4-I6 VanDerWaalsContact C-N 3.28Å; I4-I6 PolarHBondContact O-N 2.98Å
7R64.1Low51.8Low195 Ų195142.8 Ų142.874%0.73675%0.753SS**Hα-helixtrans-82.9-28-178.7-72.9-170.5-163.31796.9114.5I4I4-R7 PolarHBondContact O-N 3.16Å
8Y61.5Low51Low189 Ų189145 Ų14574%0.74176%0.758SS**Hα-helixtrans-124.49.6-173.2-59.9-78.3000114.2I4 S10I4-Y8 HydrophobicContact CG2-CD2 4.11Å; I4-Y8 PolarHBondContact O-N 3.3Å; Y8-S10 PolarHBondContact O-N 3.15Å; Y8-S10 VanDerWaalsContact O-N 3.16Å
9G49.5Very low50.4Low57 Ų57144.5 Ų144.559%0.58876%0.762SS**  trans-67.4110173.600000110.9S5 S11S5-G9 PolarHBondContact O-N 3.38Å; G9-S11 PolarHBondContact O-N 3.25Å
10S47.2Very low49.9Very low104 Ų104142.5 Ų142.573%0.72776%0.76SS**  trans-62.4127176.357.60000110.9Y8 L12Y8-S10 PolarHBondContact O-N 3.15Å; Y8-S10 VanDerWaalsContact O-N 3.16Å; S10-L12 VanDerWaalsContact C-N 3.27Å; S10-L12 PolarHBondContact O-N 2.85Å
11S51.2Low49.7Very low119 Ų119142.1 Ų142.183%0.83276%0.763SS**  trans-74.381.3172.557.80000109.7G9 N13G9-S11 PolarHBondContact O-N 3.25Å; S11-N13 PolarHBondContact O-N 2.98Å
12L44.9Very low49.2Very low149 Ų149137.8 Ų137.878%0.7875%0.749SS**  trans-84.6105.5169.4-143.577.6000108.9S10 K14S10-L12 VanDerWaalsContact C-N 3.27Å; S10-L12 PolarHBondContact O-N 2.85Å; L12-K14 PolarHBondContact O-N 3Å
13N45.5Very low48.4Very low150 Ų150137 Ų13780%0.80275%0.748SS**  trans25.790.7153.7-58.4-21.6000116.9S11S11-N13 PolarHBondContact O-N 2.98Å
14K42.1Very low47.7Very low206 Ų206137.4 Ų137.490%0.89675%0.754SS**  trans-94.290.7160.2-135.3167-172.6177.90108L12 T16L12-K14 PolarHBondContact O-N 3Å; K14-T16 PolarHBondContact O-N 2.91Å
15S43.2Very low47Very low111 Ų111136.8 Ų136.878%0.77676%0.756SS**  trans-65.8119165.655.70000107.8
16T41.3Very low46.3Very low119 Ų119139 Ų13973%0.7377%0.768SS**  trans-86.1128168.5-38.80000106.1K14 Q18K14-T16 PolarHBondContact O-N 2.91Å; T16-Q18 PolarHBondContact O-N 2.86Å
17P41.2Very low45.4Very low117 Ų117136.5 Ų136.576%0.7677%0.768SS**  trans-66.8107.9168.226.7-29.1000107T19P17-T19 PolarHBondContact O-N 2.97Å; P17-T19 VanDerWaalsContact O-N 3.09Å
18Q37.8Very low44.4Very low182 Ų182132.1 Ų132.185%0.8577%0.768SS**  trans-67.9104.8168.1-80.7-148.4-22.800108.1T16 S20T16-Q18 PolarHBondContact O-N 2.86Å; Q18-S20 PolarHBondContact O-N 2.79Å
19T40.2Very low43.5Very low135 Ų135133 Ų13383%0.82878%0.776SS**  trans-67.898.3159.6-5.30000107P17 V21P17-T19 PolarHBondContact O-N 2.97Å; P17-T19 VanDerWaalsContact O-N 3.09Å; T19-V21 PolarHBondContact O-N 3.5Å
20S40.5Very low43.2Very low104 Ų104138.2 Ų138.273%0.72779%0.785SS**  trans-68.999.417160.70000108.5Q18 P22Q18-S20 PolarHBondContact O-N 2.79Å; S20-P22 WeakPolarHBondContact O-CD 3.5Å
21V45.2Very low43.6Very low135 Ų135138.7 Ų138.782%0.81878%0.783SS**  trans-68119.8162.9-110.10000107.4T19 Y23T19-V21 PolarHBondContact O-N 3.5Å; V21-Y23 PolarHBondContact O-N 2.92Å
22P41.3Very low43.7Very low107 Ų107138.8 Ų138.870%0.69578%0.781SS**  trans-67.3132.9178.126.1-31.1000109.9S20 L24S20-P22 WeakPolarHBondContact O-CD 3.5Å; P22-L24 PolarHBondContact O-N 3.46Å
23Y40.7Very low43.9Very low209 Ų209138 Ų13882%0.8278%0.783SS**  trans-58.9102.4173.2-175.6-100.5000109.8V21 T25V21-Y23 PolarHBondContact O-N 2.92Å; Y23-T25 HydrophobicContact CD1-CG2 3.88Å; Y23-T25 HydrophobicContact CE1-CG2 3.58Å; Y23-T25 PolarHBondContact O-N 3.19Å
24L40.4Very low43.6Very low161 Ų161134.5 Ų134.584%0.84378%0.781SS**  trans-73.3103.4172.1-69.7167.8000108.4P22P22-L24 PolarHBondContact O-N 3.46Å
25T44.8Very low43.2Very low94 Ų94133.2 Ų133.258%0.57778%0.778SS**  trans-73125.9161.533.20000107.9Y23 A27Y23-T25 HydrophobicContact CD1-CG2 3.88Å; Y23-T25 HydrophobicContact CE1-CG2 3.58Å; Y23-T25 PolarHBondContact O-N 3.19Å; T25-A27 PolarHBondContact O-N 3.28Å
26P45.6Very low43.4Very low133 Ų133133.2 Ų133.286%0.86479%0.785SS**  trans-75.282.9171.830.3-30.8000108.1
27A45.9Very low43.8Very low90 Ų90130.9 Ų130.974%0.74479%0.785SS**  trans-100.432.317600000112.2T25T25-A27 PolarHBondContact O-N 3.28Å
28S41.7Very low43.5Very low104 Ų104130.4 Ų130.473%0.72778%0.784SS**  trans-123.388171.9-55.50000108.8E30S28-E30 PolarHBondContact O-N 3.42Å
29F42.7Very low44Very low206 Ų206128.2 Ų128.290%0.90479%0.785SS**  trans-79.274.7159.2-134.9-89.6000106.8T31F29-T31 PolarHBondContact O-N 3.23Å
30E43.8Very low43.8Very low168 Ų168126.9 Ų126.979%0.78578%0.782SS**  trans-81103.7170.3-167.4170.6-176.900107S28 P32S28-E30 PolarHBondContact O-N 3.42Å; E30-P32 WeakPolarHBondContact O-CD 3.43Å
31T56.5Low43.9Very low113 Ų113126.7 Ų126.769%0.69378%0.781SS**PPolyproline II helixtrans-56.4119.8169.64.50000108.5F29 V33F29-T31 PolarHBondContact O-N 3.23Å; T31-V33 PolarHBondContact O-N 3.45Å; T31-V33 VanDerWaalsContact O-N 3.08Å
32P52.4Low43.5Very low122 Ų122127 Ų12779%0.79278%0.783SS**PPolyproline II helixtrans-64.7117.8175.124.8-30.8000108.4E30 G34E30-P32 WeakPolarHBondContact O-CD 3.43Å; P32-G34 PolarHBondContact O-N 3Å
33V48.7Very low43.4Very low133 Ų133132.5 Ų132.581%0.80679%0.791SS**PPolyproline II helixtrans-59.4119.4165178.10000106.2T31 H35T31-V33 PolarHBondContact O-N 3.45Å; T31-V33 VanDerWaalsContact O-N 3.08Å; V33-H35 PolarHBondContact O-N 3.13Å
34G38.9Very low42.9Very low75 Ų75128.2 Ų128.277%0.77379%0.791SS**  trans-60.794.5-179.100000110.7P32 A36P32-G34 PolarHBondContact O-N 3Å; G34-A36 PolarHBondContact O-N 3.16Å
35H34.5Very low42.6Very low180 Ų180125.6 Ų125.683%0.83379%0.786SS**  trans-74.1108.5165.8-120.7-2.9000107.6V33 G37V33-H35 PolarHBondContact O-N 3.13Å; H35-G37 PolarHBondContact O-N 3.44Å
36A46.3Very low42.1Very low110 Ų110130.7 Ų130.791%0.90980%0.8SS**SBendtrans-6585.4167.700000108.6G34G34-A36 PolarHBondContact O-N 3.16Å
37G51.1Low41.5Very low71 Ų71130.4 Ų130.473%0.73280%0.801SS**  trans167.557.7-176.400000113.7H35H35-G37 PolarHBondContact O-N 3.44Å
38S35.2Very low41Very low106 Ų106131.2 Ų131.274%0.74180%0.801SS**  trans-128.4127.8159-151.50000108.7S40S38-S40 VanDerWaalsContact C-N 3.28Å; S38-S40 PolarHBondContact O-N 3.13Å
39P47.9Very low40.9Very low136 Ų136130.8 Ų130.888%0.88380%0.804SS**  trans-81.376.4-173.334.2-33.8000109.3
40S34.9Very low40.7Very low108 Ų108128.3 Ų128.376%0.75580%0.799SS**  trans-111.1103.9170-159.70000109.2S38S38-S40 VanDerWaalsContact C-N 3.28Å; S38-S40 PolarHBondContact O-N 3.13Å
41S42.9Very low40.2Very low100 Ų100128.4 Ų128.470%0.69980%0.8SS**  trans52.172.6158.3-1600000116.6Y43S41-Y43 PolarHBondContact O-N 2.82Å; S41-Y43 VanDerWaalsContact O-N 3.07Å
42T36.6Very low39.5Very low140 Ų140132.7 Ų132.786%0.85981%0.809SS**  trans-7581.715336.50000109.7
43Y40.3Very low38.6Very low224 Ų224136.4 Ų136.488%0.87881%0.813SS**  trans-106.187.1141.6-83.9-88.4000106.9S41S41-Y43 PolarHBondContact O-N 2.82Å; S41-Y43 VanDerWaalsContact O-N 3.07Å
44C30.3Very low38.3Very low119 Ų119137.9 Ų137.980%0.80482%0.816SS**  trans-123.995.3159.6-166.40000107.1
45S33.7Very low38.3Very low106 Ų106140.6 Ų140.674%0.74181%0.812SS**  trans-50.3130.1164.146.60000110.3S47S45-S47 PolarHBondContact O-N 3.21Å
46K34.1Very low38.9Very low201 Ų201139.6 Ų139.687%0.87481%0.813SS**  trans-45.6121.6166.7-75.4171.1173.3173.30110.5S48K46-S48 PolarHBondContact O-N 3.37Å; K46-S48 VanDerWaalsContact O-N 3.16Å
47S33.1Very low39.1Very low126 Ų126142.1 Ų142.188%0.88180%0.804SS**  trans-7986.1164.945.80000109.6S45S45-S47 PolarHBondContact O-N 3.21Å
48S34.7Very low39.4Very low108 Ų108147.3 Ų147.376%0.75581%0.809SS**  trans-98.1117.9149.155.10000107.1K46 L50K46-S48 PolarHBondContact O-N 3.37Å; K46-S48 VanDerWaalsContact O-N 3.16Å; S48-L50 PolarHBondContact O-N 2.88Å
49A40.2Very low40.4Very low95 Ų95150.5 Ų150.579%0.78581%0.812SS**  trans-45.6129.217700000112.6
50L39.2Very low41Very low153 Ų153152.8 Ų152.880%0.80181%0.808SS**  trans161140.4132.1-91.5154.2000111.5S48S48-L50 PolarHBondContact O-N 2.88Å
51E32.4Very low42.4Very low171 Ų171156.3 Ų156.380%0.79981%0.813SS**  trans74.8118.4160.7-59.2-68.7129.500119.1
52K43Very low43.5Very low203 Ų203159.3 Ų159.388%0.88382%0.82SS**  trans-65.4127.8166.4-71.5173.5172.7179.20109.9
53K33.6Very low45Very low200 Ų200156.1 Ų156.187%0.8780%0.802SS**  trans-135.1119.1151.3-87.6-173.9173.4177.30108.5D55K53-D55 PolarHBondContact O-N 3.29Å
54D41.3Very low46.8Very low164 Ų164148.7 Ų148.788%0.87778%0.783SS**  trans-58.8122.6165.6-72.4-41.5000108.4
55D39.2Very low49.1Very low131 Ų131148.8 Ų148.870%0.70178%0.775SS**  trans-135.994.5167-147.910.9000105.8K53 K57K53-D55 PolarHBondContact O-N 3.29Å; D55-K57 PolarHBondContact O-N 2.98Å
56D47.9Very low51.2Low160 Ų160147.7 Ų147.786%0.85676%0.76SS**  trans-64.979.6174.7-78.7-41.1000109.3
57K50.2Low53.4Low163 Ų163145 Ų14571%0.70974%0.744SS**  trans-86.8103.2158.8-76-177.9-178.8173.50107.1D55 E59D55-K57 PolarHBondContact O-N 2.98Å; K57-E59 PolarHBondContact O-N 3.37Å
58E57.6Low55.7Low180 Ų180144.1 Ų144.184%0.84173%0.725SS**  trans-58.184.1159.2-72-175.4166.100108.4K60E58-K60 VanDerWaalsContact C-N 3.28Å; E58-K60 PolarHBondContact O-N 3.44Å
59E55.8Low57.9Low173 Ų173143.8 Ų143.881%0.80871%0.714SS**  trans-60.7101.9158.5-69.4-170.2177.600105.4K57 E61K57-E59 PolarHBondContact O-N 3.37Å; E59-E61 PolarHBondContact O-N 2.87Å
60K59.2Low59.7Low184 Ų184142.7 Ų142.780%0.871%0.705SS**  trans-56.897.3171.9-67.7-179.7-178.2175.90106.8E58 L62E58-K60 VanDerWaalsContact C-N 3.28Å; E58-K60 PolarHBondContact O-N 3.44Å; K60-L62 PolarHBondContact O-N 2.86Å
61E65.8Low61.5Low182 Ų182142.3 Ų142.385%0.8570%0.697SS**  trans-49.5114.1173.3-70.7-177164.700107.1E59 P63E59-E61 PolarHBondContact O-N 2.87Å; E61-P63 VanDerWaalsContact O-N 3.13Å
62L65.2Low63.5Low162 Ų162138.7 Ų138.785%0.84868%0.683SS**PPolyproline II helixtrans-57.6124.5177.9-66.6173.7000106.6K60 S64K60-L62 PolarHBondContact O-N 2.86Å; L62-S64 PolarHBondContact O-N 3.11Å
63P69.2Low65.2Low73 Ų73132.9 Ų132.947%0.47467%0.665SS.*PPolyproline II helixtrans-56.5134-177.822.2-31.8000108.9E61 R67E61-P63 VanDerWaalsContact O-N 3.13Å; P63-R67 HydrophobicContact CB-CB 4.13Å; P63-R67 HydrophobicContact CB-CG 4.1Å
64S77.9Confident67.2Low68 Ų68126.9 Ų126.948%0.47665%0.648SS.*PPolyproline II helixtrans-52.2150.4172.662.20000110.3L62 D66 R67 F68L62-S64 PolarHBondContact O-N 3.11Å; S64-D66 PolarHBondContact O-N 3.27Å; S64-D66 VanDerWaalsContact O-N 3.13Å; S64-R67 WeakPolarHBondContact O-CA 3.4Å; S64-R67 WeakPolarHBondContact O-CB 3.02Å; S64-R67 PolarHBondContact O-N 3.13Å; S64-R67 PolarHBondContact OG-N 3.27Å; S64-F68 PolarHBondContact O-N 2.9Å
65L77.6Confident68.8Low122 Ų122127.3 Ų127.364%0.63965%0.645SS**Hα-helixtrans-50.7-41179.4-179.861.9000111.4R67 F68 L69L65-R67 PolarHBondContact O-N 2.99Å; L65-F68 WeakPolarHBondContact O-CB 3.14Å; L65-F68 PolarHBondContact O-N 2.92Å; L65-F68 VanDerWaalsContact O-N 3.16Å; L65-L69 HydrophobicContact CD1-CD1 4.25Å; L65-L69 HydrophobicContact CD1-CG 4.16Å; L65-L69 HydrophobicContact CG-CD1 3.92Å; L65-L69 HydrophobicContact CG-CG 4.26Å; L65-L69 VanDerWaalsContact O-CG 3.3Å; L65-L69 WeakPolarHBondContact O-CG 3.26Å; L65-L69 PolarHBondContact O-N 2.88Å
66D78.6Confident70.9Confident82 Ų82126.9 Ų126.944%0.43964%0.643SS.*Hα-helixtrans-59.8-41.5176-69.91000112.9S64 F68 L69 A70S64-D66 PolarHBondContact O-N 3.27Å; S64-D66 VanDerWaalsContact O-N 3.13Å; D66-F68 VanDerWaalsContact C-N 3.32Å; D66-L69 PolarHBondContact O-N 3.22Å; D66-A70 VanDerWaalsContact O-CB 3.27Å; D66-A70 WeakPolarHBondContact O-CB 3.42Å; D66-A70 PolarHBondContact O-N 3Å
67R80.3Confident72.5Confident144 Ų144122.5 Ų122.554%0.54362%0.619SS.*Hα-helixtrans-68-34.8176.8-175.2171.4-171.1-1800.4111.6P63 S64 L65 K71P63-R67 HydrophobicContact CB-CB 4.13Å; P63-R67 HydrophobicContact CB-CG 4.1Å; S64-R67 WeakPolarHBondContact O-CA 3.4Å; S64-R67 WeakPolarHBondContact O-CB 3.02Å; S64-R67 PolarHBondContact O-N 3.13Å; S64-R67 PolarHBondContact OG-N 3.27Å; L65-R67 PolarHBondContact O-N 2.99Å; R67-K71 HydrophobicContact CG-CD 4.47Å; R67-K71 WeakPolarHBondContact O-CG 3.49Å; R67-K71 PolarHBondContact O-N 3.23Å
68F81.2Confident74.1Confident109 Ų109117.8 Ų117.848%0.47861%0.611SS.*Hα-helixtrans-68.2-47.9173.9-178.8-93.5000110.9S64 L65 D66 A70 K71 N72S64-F68 PolarHBondContact O-N 2.9Å; L65-F68 WeakPolarHBondContact O-CB 3.14Å; L65-F68 PolarHBondContact O-N 2.92Å; L65-F68 VanDerWaalsContact O-N 3.16Å; D66-F68 VanDerWaalsContact C-N 3.32Å; F68-A70 VanDerWaalsContact C-N 3.35Å; F68-A70 PolarHBondContact O-N 3.36Å; F68-K71 PolarHBondContact O-N 3.35Å; F68-N72 WeakPolarHBondContact CD2-ND2 3.4Å; F68-N72 HydrophobicContact CE1-CB 4.36Å; F68-N72 WeakPolarHBondContact CE2-ND2 3.31Å; F68-N72 WeakPolarHBondContact CG-ND2 3.32Å; F68-N72 HydrophobicContact CZ-CB 4.48Å; F68-N72 WeakPolarHBondContact CZ-ND2 3.47Å; F68-N72 WeakPolarHBondContact O-CB 3.24Å; F68-N72 PolarHBondContact O-N 3.35Å; F68-N72 PolarHBondContact O-ND2 2.98Å
69L80.9Confident75.6Confident100 Ų100111.8 Ų111.852%0.52459%0.589SS.*Hα-helixtrans-64.3-36.6179-67.4175.3000112.7L65 D66 K71 N72L65-L69 HydrophobicContact CD1-CD1 4.25Å; L65-L69 HydrophobicContact CD1-CG 4.16Å; L65-L69 HydrophobicContact CG-CD1 3.92Å; L65-L69 HydrophobicContact CG-CG 4.26Å; L65-L69 VanDerWaalsContact O-CG 3.3Å; L65-L69 WeakPolarHBondContact O-CG 3.26Å; L65-L69 PolarHBondContact O-N 2.88Å; D66-L69 PolarHBondContact O-N 3.22Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 2.82Å; L69-N72 CarbonylContact O-C 3.16Å
70A78.1Confident77.2Confident72 Ų72109.4 Ų109.460%0.59558%0.576SS**Hα-helixtrans-69.7-29.4177.100000113.5D66 F68D66-A70 VanDerWaalsContact O-CB 3.27Å; D66-A70 WeakPolarHBondContact O-CB 3.42Å; D66-A70 PolarHBondContact O-N 3Å; F68-A70 VanDerWaalsContact C-N 3.35Å; F68-A70 PolarHBondContact O-N 3.36Å
71K76.5Confident78.5Confident145 Ų145105.8 Ų105.863%0.6356%0.562SS**Hα-helixtrans-87.7-30.9177.6-72.2-177.7175.9-167.20112.8R67 F68 L69 T73R67-K71 HydrophobicContact CG-CD 4.47Å; R67-K71 WeakPolarHBondContact O-CG 3.49Å; R67-K71 PolarHBondContact O-N 3.23Å; F68-K71 PolarHBondContact O-N 3.35Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 2.82Å; K71-T73 VanDerWaalsContact C-N 3.33Å; K71-T73 PolarHBondContact O-N 3.36Å
72N75.1Confident79.8Confident96 Ų96103.2 Ų103.251%0.51355%0.55SS..SBendtrans-97.459.5178.4-63-84.5000109.6F68 L69F68-N72 WeakPolarHBondContact CD2-ND2 3.4Å; F68-N72 HydrophobicContact CE1-CB 4.36Å; F68-N72 WeakPolarHBondContact CE2-ND2 3.31Å; F68-N72 WeakPolarHBondContact CG-ND2 3.32Å; F68-N72 HydrophobicContact CZ-CB 4.48Å; F68-N72 WeakPolarHBondContact CZ-ND2 3.47Å; F68-N72 WeakPolarHBondContact O-CB 3.24Å; F68-N72 PolarHBondContact O-N 3.35Å; F68-N72 PolarHBondContact O-ND2 2.98Å; L69-N72 CarbonylContact O-C 3.16Å
73T77.6Confident81.2Confident81 Ų81100 Ų10050%0.49753%0.532SS..  trans-74.8148.5168.156.20000109.5K71K71-T73 VanDerWaalsContact C-N 3.33Å; K71-T73 PolarHBondContact O-N 3.36Å
74S75.6Confident82.3Confident73 Ų73100 Ų10051%0.5153%0.527SS..  trans-61.2153.8179.154.50000112.2D76 N77S74-D76 PolarHBondContact O-N 2.91Å; S74-D76 VanDerWaalsContact O-N 3.08Å; S74-N77 PolarHBondContact O-N 3.47Å
75E74.5Confident83Confident173 Ų173100.7 Ų100.781%0.80853%0.525SS*.Hα-helixtrans-47.4-33.8173.4-176.3-179157.700112.9N77 A78 S79E75-N77 PolarHBondContact O-N 3.34Å; E75-A78 PolarHBondContact O-N 2.99Å; E75-S79 PolarHBondContact O-N 3.44Å; E75-S79 VanDerWaalsContact O-N 3.16Å
76D84Confident83.9Confident123 Ų12398.9 Ų98.966%0.65852%0.516SS*.Hα-helixtrans-56.6-32.5177.9-65-31.7000113.7S74 F80S74-D76 PolarHBondContact O-N 2.91Å; S74-D76 VanDerWaalsContact O-N 3.08Å; D76-F80 WeakPolarHBondContact O-CB 3.42Å; D76-F80 PolarHBondContact O-N 2.99Å
77N82.3Confident84.7Confident68 Ų6897.1 Ų97.136%0.36451%0.512SS..Hα-helixtrans-69.8-43.7-179.7-171.182.5000111.7S74 E75 S79 F80 E81S74-N77 PolarHBondContact O-N 3.47Å; E75-N77 PolarHBondContact O-N 3.34Å; N77-S79 VanDerWaalsContact C-N 3.34Å; N77-F80 PolarHBondContact O-N 2.82Å; N77-E81 PolarHBondContact ND2-OE1 3.31Å; N77-E81 WeakPolarHBondContact O-CG 3.31Å; N77-E81 PolarHBondContact O-N 2.96Å; N77-E81 VanDerWaalsContact O-N 3.07Å
78A82.3Confident85.3Confident64 Ų6495.1 Ų95.153%0.52951%0.508SS..Hα-helixtrans-65.4-39.8177.200000111.4E75 E81 Q82E75-A78 PolarHBondContact O-N 2.99Å; A78-E81 PolarHBondContact O-N 3.14Å; A78-Q82 PolarHBondContact O-N 2.86Å; A78-Q82 VanDerWaalsContact O-N 3.07Å
79S89.6Confident85.9Confident54 Ų5493.7 Ų93.738%0.37851%0.505SS..Hα-helixtrans-62.3-42.3174.5-178.20000111.9E75 N77 Q82 I83E75-S79 PolarHBondContact O-N 3.44Å; E75-S79 VanDerWaalsContact O-N 3.16Å; N77-S79 VanDerWaalsContact C-N 3.34Å; S79-Q82 PolarHBondContact O-N 3.28Å; S79-I83 VanDerWaalsContact O-CG1 3.25Å; S79-I83 WeakPolarHBondContact O-CG1 3.35Å; S79-I83 PolarHBondContact O-N 3.31Å
80F88.9Confident86.6Confident122 Ų12295.3 Ų95.354%0.53551%0.508SS..Hα-helixtrans-62.8-44.6177.1179.6-99.5000112.5D76 N77 Q82 I83 M84D76-F80 WeakPolarHBondContact O-CB 3.42Å; D76-F80 PolarHBondContact O-N 2.99Å; N77-F80 PolarHBondContact O-N 2.82Å; F80-Q82 VanDerWaalsContact C-N 3.33Å; F80-Q82 PolarHBondContact O-N 3.47Å; F80-I83 PolarHBondContact O-N 3.28Å; F80-M84 HydrophobicContact CD1-CG 4.17Å; F80-M84 HydrophobicContact CE1-CG 3.72Å; F80-M84 HydrophobicContact CE1-SD 4.32Å; F80-M84 HydrophobicContact CE2-CG 4.16Å; F80-M84 HydrophobicContact CE2-SD 4.3Å; F80-M84 HydrophobicContact CZ-CG 3.71Å; F80-M84 HydrophobicContact CZ-SD 3.81Å; F80-M84 VanDerWaalsContact O-CG 3.31Å; F80-M84 WeakPolarHBondContact O-CG 3.24Å; F80-M84 PolarHBondContact O-N 3.01Å
81E88.2Confident87.2Confident109 Ų10995.3 Ų95.351%0.50950%0.496SS..Hα-helixtrans-58.7-45.9175.7-72.6174.8-16900111N77 A78 I83 M84 D85N77-E81 PolarHBondContact ND2-OE1 3.31Å; N77-E81 WeakPolarHBondContact O-CG 3.31Å; N77-E81 PolarHBondContact O-N 2.96Å; N77-E81 VanDerWaalsContact O-N 3.07Å; A78-E81 PolarHBondContact O-N 3.14Å; E81-I83 PolarHBondContact O-N 3.29Å; E81-M84 PolarHBondContact O-N 3.33Å; E81-M84 VanDerWaalsContact O-N 3.14Å; E81-D85 PolarHBondContact O-N 3.24Å
82Q92.8Very high87.9Confident127 Ų12793.3 Ų93.359%0.59349%0.487SS*.Hα-helixtrans-60.4-44.1175.9-173.2-178.710.400112.4A78 S79 F80 M84 D85 L86A78-Q82 PolarHBondContact O-N 2.86Å; A78-Q82 VanDerWaalsContact O-N 3.07Å; S79-Q82 PolarHBondContact O-N 3.28Å; F80-Q82 VanDerWaalsContact C-N 3.33Å; F80-Q82 PolarHBondContact O-N 3.47Å; Q82-M84 VanDerWaalsContact C-N 3.26Å; Q82-M84 PolarHBondContact O-N 3.06Å; Q82-D85 PolarHBondContact O-N 3.41Å; Q82-L86 HydrophobicContact CG-CD1 4.28Å; Q82-L86 WeakPolarHBondContact O-CB 3.43Å; Q82-L86 VanDerWaalsContact O-CG 3.31Å; Q82-L86 WeakPolarHBondContact O-CG 3.36Å; Q82-L86 PolarHBondContact O-N 3.44Å
83I94.1Very high88.8Confident95 Ų9595.2 Ų95.249%0.48750%0.497SS..Hα-helixtrans-61.8-37.9177.1-69.9165.1000110.6S79 F80 E81 A87S79-I83 VanDerWaalsContact O-CG1 3.25Å; S79-I83 WeakPolarHBondContact O-CG1 3.35Å; S79-I83 PolarHBondContact O-N 3.31Å; F80-I83 PolarHBondContact O-N 3.28Å; E81-I83 PolarHBondContact O-N 3.29Å; I83-A87 WeakPolarHBondContact O-CB 3.23Å; I83-A87 PolarHBondContact O-N 3.07Å
84M92.1Very high89.6Confident74 Ų7499.1 Ų99.137%0.36551%0.507SS..Hα-helixtrans-68.3-40.3178.4-69.7-78.166.900113F80 E81 Q82 A87 K88F80-M84 HydrophobicContact CD1-CG 4.17Å; F80-M84 HydrophobicContact CE1-CG 3.72Å; F80-M84 HydrophobicContact CE1-SD 4.32Å; F80-M84 HydrophobicContact CE2-CG 4.16Å; F80-M84 HydrophobicContact CE2-SD 4.3Å; F80-M84 HydrophobicContact CZ-CG 3.71Å; F80-M84 HydrophobicContact CZ-SD 3.81Å; F80-M84 VanDerWaalsContact O-CG 3.31Å; F80-M84 WeakPolarHBondContact O-CG 3.24Å; F80-M84 PolarHBondContact O-N 3.01Å; E81-M84 PolarHBondContact O-N 3.33Å; E81-M84 VanDerWaalsContact O-N 3.14Å; Q82-M84 VanDerWaalsContact C-N 3.26Å; Q82-M84 PolarHBondContact O-N 3.06Å; M84-A87 HydrophobicContact CE-CB 3.98Å; M84-A87 PolarHBondContact O-N 2.89Å; M84-K88 WeakPolarHBondContact O-CG 3.27Å; M84-K88 PolarHBondContact O-N 3.44Å
85D93.5Very high90.5Very high81 Ų8199.4 Ų99.443%0.43350%0.5SS..Hα-helixtrans-68.9-42.7176.3-69.1-19.8000111.5E81 Q82 A87 K88 D89E81-D85 PolarHBondContact O-N 3.24Å; Q82-D85 PolarHBondContact O-N 3.41Å; D85-A87 VanDerWaalsContact C-N 3.26Å; D85-A87 PolarHBondContact O-N 3.29Å; D85-K88 WeakPolarHBondContact O-CB 3.36Å; D85-K88 PolarHBondContact O-N 3.27Å; D85-K88 VanDerWaalsContact O-N 3.13Å; D85-K88 IonicContact OD1-NZ 2.79Å; D85-K88 PolarHBondContact OD1-NZ 2.82Å; D85-D89 PolarHBondContact O-N 2.87Å
86L96.4Very high91.4Very high84 Ų8492.7 Ų92.744%0.4447%0.473SS..Hα-helixtrans-60-35.5172.5-71.5177.2000112.7Q82 K90Q82-L86 HydrophobicContact CG-CD1 4.28Å; Q82-L86 WeakPolarHBondContact O-CB 3.43Å; Q82-L86 VanDerWaalsContact O-CG 3.31Å; Q82-L86 WeakPolarHBondContact O-CG 3.36Å; Q82-L86 PolarHBondContact O-N 3.44Å; L86-K90 WeakPolarHBondContact O-CB 3.11Å; L86-K90 VanDerWaalsContact O-CG 3.25Å; L86-K90 WeakPolarHBondContact O-CG 3.19Å; L86-K90 PolarHBondContact O-N 3.13Å
87A95.6Very high91.8Very high45 Ų4595 Ų9537%0.37247%0.473SS..Hα-helixtrans-67.2-42.9175.600000111.7I83 M84 D85 D89 K90 E91I83-A87 WeakPolarHBondContact O-CB 3.23Å; I83-A87 PolarHBondContact O-N 3.07Å; M84-A87 HydrophobicContact CE-CB 3.98Å; M84-A87 PolarHBondContact O-N 2.89Å; D85-A87 VanDerWaalsContact C-N 3.26Å; D85-A87 PolarHBondContact O-N 3.29Å; A87-D89 VanDerWaalsContact C-N 3.35Å; A87-K90 PolarHBondContact O-N 3.26Å; A87-E91 PolarHBondContact O-N 2.97Å
88K91.2Very high92.2Very high103 Ų10392.7 Ų92.745%0.44846%0.461SS..Hα-helixtrans-61.9-42.7174.4-67.4167.9-161.2156.70111.1M84 D85 E91 K92M84-K88 WeakPolarHBondContact O-CG 3.27Å; M84-K88 PolarHBondContact O-N 3.44Å; D85-K88 WeakPolarHBondContact O-CB 3.36Å; D85-K88 PolarHBondContact O-N 3.27Å; D85-K88 VanDerWaalsContact O-N 3.13Å; D85-K88 IonicContact OD1-NZ 2.79Å; D85-K88 PolarHBondContact OD1-NZ 2.82Å; K88-E91 WeakPolarHBondContact O-CB 3.47Å; K88-E91 PolarHBondContact O-N 3.3Å; K88-K92 WeakPolarHBondContact O-CG 3.1Å; K88-K92 PolarHBondContact O-N 3.27Å
89D94Very high92.6Very high79 Ų7992 Ų9242%0.42245%0.445SS..Hα-helixtrans-67-42.2179.5-70.3-18.1000111.7D85 A87 E91 K92 L93D85-D89 PolarHBondContact O-N 2.87Å; A87-D89 VanDerWaalsContact C-N 3.35Å; D89-E91 VanDerWaalsContact C-N 3.29Å; D89-E91 PolarHBondContact O-N 3.08Å; D89-K92 PolarHBondContact O-N 2.81Å; D89-L93 VanDerWaalsContact O-CG 3.3Å; D89-L93 WeakPolarHBondContact O-CG 3.45Å; D89-L93 PolarHBondContact O-N 2.99Å
90K95.9Very high92.8Very high133 Ų13394.9 Ų94.958%0.57845%0.452SS*.Hα-helixtrans-59.9-39.1172.2-75.3173.5-176.7177.30112.2L86 A87 K94L86-K90 WeakPolarHBondContact O-CB 3.11Å; L86-K90 VanDerWaalsContact O-CG 3.25Å; L86-K90 WeakPolarHBondContact O-CG 3.19Å; L86-K90 PolarHBondContact O-N 3.13Å; A87-K90 PolarHBondContact O-N 3.26Å; K90-K94 VanDerWaalsContact O-CG 3.29Å; K90-K94 WeakPolarHBondContact O-CG 3.42Å; K90-K94 PolarHBondContact O-N 2.88Å; K90-K94 VanDerWaalsContact O-N 3.11Å
91E91.3Very high92.9Very high73 Ų7390.9 Ų90.934%0.34144%0.442SS..Hα-helixtrans-65.6-44.9175.2-172.1-172-174.300111.4A87 K88 D89 L93 K94 H95 K138A87-E91 PolarHBondContact O-N 2.97Å; K88-E91 WeakPolarHBondContact O-CB 3.47Å; K88-E91 PolarHBondContact O-N 3.3Å; D89-E91 VanDerWaalsContact C-N 3.29Å; D89-E91 PolarHBondContact O-N 3.08Å; E91-L93 VanDerWaalsContact C-N 3.34Å; E91-L93 PolarHBondContact O-N 3.21Å; E91-K94 PolarHBondContact O-N 3.34Å; E91-H95 PolarHBondContact O-CD2 2.88Å; E91-H95 PolarHBondContact O-N 3.43Å; E91-K138 WeakPolarHBondContact OE1-CE 3.32Å; E91-K138 IonicContact OE1-NZ 3.1Å; E91-K138 PolarHBondContact OE1-NZ 3.33Å; E91-K138 IonicContact OE2-NZ 3.01Å; E91-K138 PolarHBondContact OE2-NZ 2.94Å
92K91.4Very high93.1Very high103 Ų10388.4 Ų88.445%0.44843%0.43SS..Hα-helixtrans-58.7-44.8175.5-73.9174.6-178.5175.10112K88 D89 K94 H95 A96 Y99K88-K92 WeakPolarHBondContact O-CG 3.1Å; K88-K92 PolarHBondContact O-N 3.27Å; D89-K92 PolarHBondContact O-N 2.81Å; K92-K94 PolarHBondContact O-N 3.05Å; K92-H95 CarbonylContact O-C 3.55Å; K92-H95 PolarHBondContact O-N 3.09Å; K92-A96 VanDerWaalsContact O-CA 3.22Å; K92-A96 WeakPolarHBondContact O-CA 3.35Å; K92-A96 PolarHBondContact O-N 3.32Å; K92-Y99 HydrophobicContact CB-CD2 4.19Å; K92-Y99 HydrophobicContact CB-CE2 4.13Å; K92-Y99 HydrophobicContact CG-CD2 4.1Å; K92-Y99 HydrophobicContact CG-CE1 4.46Å; K92-Y99 HydrophobicContact CG-CE2 3.8Å
93L94.1Very high93Very high136 Ų13684.6 Ų84.671%0.71242%0.421SS*.Hα-helixtrans-63.7-39.5177.5-69.1173.3000112.5D89 E91 H95D89-L93 VanDerWaalsContact O-CG 3.3Å; D89-L93 WeakPolarHBondContact O-CG 3.45Å; D89-L93 PolarHBondContact O-N 2.99Å; E91-L93 VanDerWaalsContact C-N 3.34Å; E91-L93 PolarHBondContact O-N 3.21Å; L93-H95 VanDerWaalsContact C-N 3.29Å; L93-H95 PolarHBondContact O-N 3.18Å
94K94.9Very high92.9Very high163 Ų16384.6 Ų84.671%0.70942%0.419SS*.Hα-helixtrans-64.8-34.8175.4-74.1173.4-178.3-177.70112.6K90 E91 K92K90-K94 VanDerWaalsContact O-CG 3.29Å; K90-K94 WeakPolarHBondContact O-CG 3.42Å; K90-K94 PolarHBondContact O-N 2.88Å; K90-K94 VanDerWaalsContact O-N 3.11Å; E91-K94 PolarHBondContact O-N 3.34Å; K92-K94 PolarHBondContact O-N 3.05Å
95H93.2Very high92.8Very high79 Ų7983.1 Ų83.137%0.36641%0.41SS..THydrogen-bonded Turntrans-110.133.9-178.6-60.3-65.8000111.9E91 K92 L93 W97 L98 Y99E91-H95 PolarHBondContact O-CD2 2.88Å; E91-H95 PolarHBondContact O-N 3.43Å; K92-H95 CarbonylContact O-C 3.55Å; K92-H95 PolarHBondContact O-N 3.09Å; L93-H95 VanDerWaalsContact C-N 3.29Å; L93-H95 PolarHBondContact O-N 3.18Å; H95-W97 VanDerWaalsContact C-N 3.26Å; H95-W97 PolarHBondContact O-N 3.46Å; H95-L98 HydrophobicContact CB-CB 4.48Å; H95-L98 WeakPolarHBondContact O-CB 3.46Å; H95-L98 PolarHBondContact O-N 2.88Å; H95-Y99 HydrophobicContact CB-CD2 4.4Å; H95-Y99 HydrophobicContact CB-CE2 4.06Å; H95-Y99 VanDerWaalsContact O-CD2 3.3Å; H95-Y99 WeakPolarHBondContact O-CD2 3.32Å
96A94Very high92.7Very high31 Ų3185.2 Ų85.226%0.25642%0.415SS..Hα-helixtrans-53.7-44.8-172.800000111.9K92 L98 Y99 E100K92-A96 VanDerWaalsContact O-CA 3.22Å; K92-A96 WeakPolarHBondContact O-CA 3.35Å; K92-A96 PolarHBondContact O-N 3.32Å; A96-L98 PolarHBondContact O-N 2.95Å; A96-L98 VanDerWaalsContact O-N 3.09Å; A96-Y99 PolarHBondContact O-N 3.27Å; A96-E100 WeakPolarHBondContact O-CB 3.22Å; A96-E100 VanDerWaalsContact O-CG 3.32Å; A96-E100 WeakPolarHBondContact O-CG 3.16Å; A96-E100 PolarHBondContact O-N 3.26Å
97W92.1Very high92.4Very high171 Ų17186.7 Ų86.765%0.64842%0.42SS*.Hα-helixtrans-53.6-32.3178.367.9-92000114.6H95 A101H95-W97 VanDerWaalsContact C-N 3.26Å; H95-W97 PolarHBondContact O-N 3.46Å; W97-A101 WeakPolarHBondContact O-CB 3.25Å; W97-A101 PolarHBondContact O-N 3.36Å
98L90.7Very high92Very high21 Ų2191.2 Ų91.211%0.1143%0.427CS..Hα-helixtrans-75.6-40.6-179.3-16983.9000110.9H95 A96 E102 A137H95-L98 HydrophobicContact CB-CB 4.48Å; H95-L98 WeakPolarHBondContact O-CB 3.46Å; H95-L98 PolarHBondContact O-N 2.88Å; A96-L98 PolarHBondContact O-N 2.95Å; A96-L98 VanDerWaalsContact O-N 3.09Å; L98-E102 PolarHBondContact O-N 3.34Å; L98-A137 HydrophobicContact CD2-CB 3.67Å; L98-A137 HydrophobicContact CG-CB 3.68Å
99Y91Very high91.8Very high50 Ų5088.6 Ų88.620%0.19642%0.417CS..Hα-helixtrans-81.3-29.9-179.9-63.9-73.7000112.4K92 H95 A96 E102 A103 A137 K138K92-Y99 HydrophobicContact CB-CD2 4.19Å; K92-Y99 HydrophobicContact CB-CE2 4.13Å; K92-Y99 HydrophobicContact CG-CD2 4.1Å; K92-Y99 HydrophobicContact CG-CE1 4.46Å; K92-Y99 HydrophobicContact CG-CE2 3.8Å; H95-Y99 HydrophobicContact CB-CD2 4.4Å; H95-Y99 HydrophobicContact CB-CE2 4.06Å; H95-Y99 VanDerWaalsContact O-CD2 3.3Å; H95-Y99 WeakPolarHBondContact O-CD2 3.32Å; A96-Y99 PolarHBondContact O-N 3.27Å; Y99-E102 WeakPolarHBondContact O-CB 3.26Å; Y99-E102 PolarHBondContact O-N 3.35Å; Y99-A103 PolarHBondContact O-N 3.19Å; Y99-A137 HydrophobicContact CD1-CB 3.8Å; Y99-A137 HydrophobicContact CE1-CB 3.93Å; Y99-K138 WeakPolarHBondContact OH-CE 3.46Å; Y99-K138 PolarHBondContact OH-NZ 2.93Å
100E92.9Very high91.4Very high114 Ų11490 Ų9053%0.53342%0.421SS..Hα-helixtrans-63.4-45.4170.8-74.9168.7-17400110.5A96 E102 A103 E104A96-E100 WeakPolarHBondContact O-CB 3.22Å; A96-E100 VanDerWaalsContact O-CG 3.32Å; A96-E100 WeakPolarHBondContact O-CG 3.16Å; A96-E100 PolarHBondContact O-N 3.26Å; E100-E102 PolarHBondContact O-N 2.95Å; E100-A103 PolarHBondContact O-N 3.22Å; E100-A103 VanDerWaalsContact O-N 3.14Å; E100-E104 WeakPolarHBondContact O-CG 3.39Å; E100-E104 PolarHBondContact O-N 3.46Å
101A91.4Very high90.9Very high37 Ų3790.1 Ų90.131%0.30642%0.423SS..Hα-helixtrans-60.1-34.9173.800000112.6W97 F105 Y135W97-A101 WeakPolarHBondContact O-CB 3.25Å; W97-A101 PolarHBondContact O-N 3.36Å; A101-F105 WeakPolarHBondContact O-CB 3.3Å; A101-F105 PolarHBondContact O-N 3.21Å; A101-Y135 HydrophobicContact CB-CE1 4.19Å
102E91.6Very high90.4Very high57 Ų5791 Ų9127%0.26643%0.431SS..Hα-helixtrans-67-42.7174.1-173.5173.9-146.700112.3L98 Y99 E100 K106 Y135 K136 A137L98-E102 PolarHBondContact O-N 3.34Å; Y99-E102 WeakPolarHBondContact O-CB 3.26Å; Y99-E102 PolarHBondContact O-N 3.35Å; E100-E102 PolarHBondContact O-N 2.95Å; E102-K106 WeakPolarHBondContact O-CB 3.25Å; E102-K106 PolarHBondContact O-N 3.47Å; E102-Y135 VanDerWaalsContact CA-CD1 3.47Å; E102-Y135 HydrophobicContact CB-CD1 3.77Å; E102-Y135 HydrophobicContact CB-CE1 3.7Å; E102-Y135 HydrophobicContact CG-CD1 4.08Å; E102-Y135 HydrophobicContact CG-CE1 4.43Å; E102-K136 VanDerWaalsContact OE1-CA 3.3Å; E102-K136 WeakPolarHBondContact OE1-CA 3.45Å; E102-A137 HydrophobicContact CB-CB 4.34Å; E102-A137 PolarHBondContact OE1-N 2.94Å; E102-A137 VanDerWaalsContact OE2-CB 3.25Å; E102-A137 WeakPolarHBondContact OE2-CB 3.49Å
103A92Very high89.9Confident48 Ų4892 Ų9240%0.39744%0.44SS..Hα-helixtrans-65.4-43.8176.200000111.9Y99 E100 K106 Q107Y99-A103 PolarHBondContact O-N 3.19Å; E100-A103 PolarHBondContact O-N 3.22Å; E100-A103 VanDerWaalsContact O-N 3.14Å; A103-K106 PolarHBondContact O-N 2.88Å; A103-Q107 WeakPolarHBondContact O-CG 3.36Å; A103-Q107 PolarHBondContact O-N 3.39Å
104E91.9Very high89.3Confident95 Ų9588.3 Ų88.344%0.44443%0.429SS..Hα-helixtrans-62.9-45176.6-74.6-174.4-161.600112.1E100 K106 Q107 R108E100-E104 WeakPolarHBondContact O-CG 3.39Å; E100-E104 PolarHBondContact O-N 3.46Å; E104-K106 VanDerWaalsContact C-N 3.29Å; E104-K106 PolarHBondContact O-N 2.88Å; E104-Q107 PolarHBondContact O-N 3.34Å; E104-R108 WeakPolarHBondContact O-CG 3.3Å; E104-R108 PolarHBondContact O-N 3.26Å; E104-R108 IonicContact OE2-CZ 3.27Å; E104-R108 IonicContact OE2-NH2 3.94Å; E104-R108 PolarHBondContact OE2-NH2 2.85Å
105F90.3Very high88.2Confident42 Ų4288.5 Ų88.518%0.18444%0.437CS..Hα-helixtrans-59.1-44.9175.2178.7-90.9000110.6A101 Q107 R108 H109 E131 W133 Y135A101-F105 WeakPolarHBondContact O-CB 3.3Å; A101-F105 PolarHBondContact O-N 3.21Å; F105-Q107 PolarHBondContact O-N 3.03Å; F105-R108 PolarHBondContact O-N 3.45Å; F105-H109 HydrophobicContact CE1-CB 4.28Å; F105-H109 VanDerWaalsContact O-CB 3.23Å; F105-H109 WeakPolarHBondContact O-CB 3.48Å; F105-H109 PolarHBondContact O-N 3.18Å; F105-E131 WeakPolarHBondContact CE2-OE1 3.28Å; F105-W133 VanDerWaalsContact CZ-O 3.27Å; F105-W133 WeakPolarHBondContact CZ-O 3.49Å; F105-Y135 HydrophobicContact CB-CD1 4.44Å; F105-Y135 HydrophobicContact CB-CG 4.41Å; F105-Y135 VanDerWaalsContact CD1-CB 3.46Å; F105-Y135 VanDerWaalsContact CE1-N 3.31Å; F105-Y135 VanDerWaalsContact CG-CB 3.48Å; F105-Y135 HydrophobicContact CG-CG 4.37Å
106K90.4Very high87.1Confident126 Ų12688.4 Ų88.455%0.54844%0.444SS..Hα-helixtrans-62.2-42.6178.8-169.4178.4180-173.60112.3E102 A103 E104 H109 E110E102-K106 WeakPolarHBondContact O-CB 3.25Å; E102-K106 PolarHBondContact O-N 3.47Å; A103-K106 PolarHBondContact O-N 2.88Å; E104-K106 VanDerWaalsContact C-N 3.29Å; E104-K106 PolarHBondContact O-N 2.88Å; K106-H109 PolarHBondContact O-N 2.88Å; K106-E110 WeakPolarHBondContact CE-OE1 3.36Å; K106-E110 WeakPolarHBondContact O-CB 3.31Å; K106-E110 VanDerWaalsContact O-CG 3.31Å; K106-E110 WeakPolarHBondContact O-CG 3.28Å; K106-E110 PolarHBondContact O-N 3.1Å
107Q90.4Very high86.2Confident115 Ų11590.2 Ų90.254%0.53746%0.455SS..Hα-helixtrans-61.3-49.8175.3-73.7173.19.700111.5A103 E104 F105 H109 E110 E111A103-Q107 WeakPolarHBondContact O-CG 3.36Å; A103-Q107 PolarHBondContact O-N 3.39Å; E104-Q107 PolarHBondContact O-N 3.34Å; F105-Q107 PolarHBondContact O-N 3.03Å; Q107-H109 VanDerWaalsContact C-N 3.28Å; Q107-H109 PolarHBondContact O-N 3.05Å; Q107-E110 PolarHBondContact O-N 2.87Å; Q107-E111 WeakPolarHBondContact O-CB 3.3Å; Q107-E111 VanDerWaalsContact O-CG 3.32Å; Q107-E111 WeakPolarHBondContact O-CG 3.22Å; Q107-E111 PolarHBondContact O-N 2.88Å
108R86.9Confident85Confident139 Ų13989.8 Ų89.853%0.52546%0.462SS..Hα-helixtrans-61.4-38.6177.2-66.9179.9-151.4165.57.9111.9E104 F105 E111 N112E104-R108 WeakPolarHBondContact O-CG 3.3Å; E104-R108 PolarHBondContact O-N 3.26Å; E104-R108 IonicContact OE2-CZ 3.27Å; E104-R108 IonicContact OE2-NH2 3.94Å; E104-R108 PolarHBondContact OE2-NH2 2.85Å; F105-R108 PolarHBondContact O-N 3.45Å; R108-E111 PolarHBondContact O-N 3.24Å; R108-N112 VanDerWaalsContact O-CB 3.31Å; R108-N112 WeakPolarHBondContact O-CB 3.19Å; R108-N112 PolarHBondContact O-N 2.97Å; R108-N112 PolarHBondContact O-ND2 3.11Å; R108-N112 VanDerWaalsContact O-ND2 3.11Å
109H86.9Confident84.2Confident49 Ų4995.9 Ų95.923%0.22749%0.489CS..Hα-helixtrans-64.9-43.6177.1-170.171000111.6F105 K106 Q107 N112 L113 E131F105-H109 HydrophobicContact CE1-CB 4.28Å; F105-H109 VanDerWaalsContact O-CB 3.23Å; F105-H109 WeakPolarHBondContact O-CB 3.48Å; F105-H109 PolarHBondContact O-N 3.18Å; K106-H109 PolarHBondContact O-N 2.88Å; Q107-H109 VanDerWaalsContact C-N 3.28Å; Q107-H109 PolarHBondContact O-N 3.05Å; H109-N112 PolarHBondContact O-N 3.44Å; H109-L113 WeakPolarHBondContact NE2-CD1 3.36Å; H109-L113 WeakPolarHBondContact O-CD1 3.32Å; H109-L113 PolarHBondContact O-N 3.38Å; H109-E131 IonicContact ND1-OE2 3.73Å; H109-E131 PolarHBondContact ND1-OE2 2.83Å
110E86.9Confident83.1Confident108 Ų108100.1 Ų100.151%0.50551%0.509SS..Hα-helixtrans-64-42.2174.5-74.6173.4-171.200111.9K106 Q107 L113 A114K106-E110 WeakPolarHBondContact CE-OE1 3.36Å; K106-E110 WeakPolarHBondContact O-CB 3.31Å; K106-E110 VanDerWaalsContact O-CG 3.31Å; K106-E110 WeakPolarHBondContact O-CG 3.28Å; K106-E110 PolarHBondContact O-N 3.1Å; Q107-E110 PolarHBondContact O-N 2.87Å; E110-L113 PolarHBondContact O-N 3.21Å; E110-A114 WeakPolarHBondContact O-CB 3.46Å; E110-A114 PolarHBondContact O-N 3Å
111E84.6Confident81.8Confident135 Ų13596.8 Ų96.863%0.63150%0.501SS*.Hα-helixtrans-63.1-40174.4-73173.617800112.3Q107 R108 L113 A114Q107-E111 WeakPolarHBondContact O-CB 3.3Å; Q107-E111 VanDerWaalsContact O-CG 3.32Å; Q107-E111 WeakPolarHBondContact O-CG 3.22Å; Q107-E111 PolarHBondContact O-N 2.88Å; R108-E111 PolarHBondContact O-N 3.24Å; E111-L113 VanDerWaalsContact C-N 3.35Å; E111-A114 PolarHBondContact O-N 3.3Å
112N80.2Confident80.6Confident93 Ų9399 Ų9950%0.49752%0.519SS..Hα-helixtrans-68-32.9175.7-76.5-33000112.6R108 H109R108-N112 VanDerWaalsContact O-CB 3.31Å; R108-N112 WeakPolarHBondContact O-CB 3.19Å; R108-N112 PolarHBondContact O-N 2.97Å; R108-N112 PolarHBondContact O-ND2 3.11Å; R108-N112 VanDerWaalsContact O-ND2 3.11Å; H109-N112 PolarHBondContact O-N 3.44Å
113L81.3Confident79.4Confident122 Ų122103.8 Ų103.864%0.63955%0.546SS*.Hα-helixtrans-77.3-30174.6-104123000112.5H109 E110 E111 L115H109-L113 WeakPolarHBondContact NE2-CD1 3.36Å; H109-L113 WeakPolarHBondContact O-CD1 3.32Å; H109-L113 PolarHBondContact O-N 3.38Å; E110-L113 PolarHBondContact O-N 3.21Å; E111-L113 VanDerWaalsContact C-N 3.35Å; L113-L115 PolarHBondContact O-N 2.92Å
114A82.5Confident78Confident60 Ų60108 Ų10850%0.49656%0.557SS.*SBendtrans-66.3130.1177.800000110.2E110 E111 P116E110-A114 WeakPolarHBondContact O-CB 3.46Å; E110-A114 PolarHBondContact O-N 3Å; E111-A114 PolarHBondContact O-N 3.3Å; A114-P116 WeakPolarHBondContact O-CD 3.44Å
115L70Confident76.2Confident166 Ų166109.9 Ų109.987%0.86958%0.58SS**PPolyproline II helixtrans-71124.6172.4-68.7173.6000108.9L113L113-L115 PolarHBondContact O-N 2.92Å
116P71.1Confident74.6Confident78 Ų78112.6 Ų112.651%0.50660%0.599SS.*PPolyproline II helixtrans-62.5147.6174.821.8-29.1000110.7A114 K120 A121A114-P116 WeakPolarHBondContact O-CD 3.44Å; P116-K120 HydrophobicContact CB-CB 4.29Å; P116-A121 HydrophobicContact CB-CB 4.43Å; P116-A121 HydrophobicContact CG-CB 4.01Å
117S74.9Confident73Confident69 Ų69116.3 Ų116.348%0.48362%0.615SS.*PPolyproline II helixtrans-52.6143.9170177.20000110.2E119 K120 A121S117-E119 PolarHBondContact O-N 2.88Å; S117-K120 WeakPolarHBondContact O-CA 3.47Å; S117-K120 PolarHBondContact O-N 3.13Å; S117-A121 PolarHBondContact O-N 2.69Å
118M67.6Low71.5Confident162 Ų162114.1 Ų114.180%0.79862%0.617SS**Hα-helixtrans-52-31.9-17368.6-178.5-70.600113.8A122M118-A122 PolarHBondContact O-N 3.46Å
119E73.4Confident70.5Confident148 Ų148110.4 Ų110.469%0.69262%0.622SS**Hα-helixtrans-71.3-35.8178.4-60.9177.2166.500112.6S117S117-E119 PolarHBondContact O-N 2.88Å
120K68.9Low69.5Low139 Ų139115.9 Ų115.960%0.60465%0.652SS**Hα-helixtrans-79.4-38.2178.1-63.6-175.6178.2-177.10111.3P116 S117 A122 L123 E124P116-K120 HydrophobicContact CB-CB 4.29Å; S117-K120 WeakPolarHBondContact O-CA 3.47Å; S117-K120 PolarHBondContact O-N 3.13Å; K120-A122 PolarHBondContact O-N 2.63Å; K120-L123 PolarHBondContact O-N 2.82Å; K120-L123 VanDerWaalsContact O-N 3.16Å; K120-E124 PolarHBondContact O-N 2.94Å
121A64.9Low68.7Low45 Ų45115 Ų11537%0.37265%0.648SS.*Hα-helixtrans-61.2-31.4176.500000113.1P116 S117P116-A121 HydrophobicContact CB-CB 4.43Å; P116-A121 HydrophobicContact CG-CB 4.01Å; S117-A121 PolarHBondContact O-N 2.69Å
122A65.9Low68.6Low83 Ų83114.2 Ų114.269%0.68665%0.653SS**THydrogen-bonded Turntrans-75.4-23.3178.300000113.7M118 K120M118-A122 PolarHBondContact O-N 3.46Å; K120-A122 PolarHBondContact O-N 2.63Å
123L66.7Low68.6Low158 Ų158120 Ų12083%0.82767%0.668SS**THydrogen-bonded Turntrans-96.8-34.4-178.6-67.5169.3000112.1K120K120-L123 PolarHBondContact O-N 2.82Å; K120-L123 VanDerWaalsContact O-N 3.16Å
124E63Low68.9Low136 Ų136120.6 Ų120.664%0.63667%0.667SS**  trans-106.189.9179.4-103.1-176.4142.300110.9K120 V126K120-E124 PolarHBondContact O-N 2.94Å; E124-V126 HydrophobicContact CB-CG2 3.8Å; E124-V126 HydrophobicContact CG-CG2 3.64Å; E124-V126 PolarHBondContact O-N 3.34Å
125C53.3Low69.1Low135 Ų135122 Ų12291%0.91266%0.66SS**  trans-71.962.2160.6-86.40000109.9
126V57Low70Confident98 Ų98119.4 Ų119.459%0.59464%0.642SS**  trans-87.5120.7177.8-177.60000108.5E124 A128E124-V126 HydrophobicContact CB-CG2 3.8Å; E124-V126 HydrophobicContact CG-CG2 3.64Å; E124-V126 PolarHBondContact O-N 3.34Å; V126-A128 VanDerWaalsContact C-N 3.33Å; V126-A128 PolarHBondContact O-N 2.99Å
127K56.2Low70.9Confident204 Ų204116 Ų11689%0.88762%0.621SS**  trans-69.990177.1-160.2177.2-170.2173.30108.1G129K127-G129 PolarHBondContact O-N 2.73Å
128A60Low71.5Confident69 Ų69116.7 Ų116.757%0.5762%0.615SS**  trans-58.6107175.100000109V126V126-A128 VanDerWaalsContact C-N 3.33Å; V126-A128 PolarHBondContact O-N 2.99Å
129G64.6Low72.4Confident61 Ų61113 Ų11363%0.62960%0.599SS**  trans-67.7130.6172.200000108.8K127 E131K127-G129 PolarHBondContact O-N 2.73Å; G129-E131 PolarHBondContact O-N 2.89Å
130L66.9Low73.2Confident165 Ų165109.1 Ų109.186%0.86459%0.592SS**  trans-70.298.3174.4-67.8165.8000108.9T132L130-T132 PolarHBondContact O-N 3.13Å
131E70.6Confident74Confident88 Ų88109.6 Ų109.641%0.41160%0.6SS.*  trans-70.3111.6166.6-89.6177.2164.300109.2F105 H109 G129F105-E131 WeakPolarHBondContact CE2-OE1 3.28Å; H109-E131 IonicContact ND1-OE2 3.73Å; H109-E131 PolarHBondContact ND1-OE2 2.83Å; G129-E131 PolarHBondContact O-N 2.89Å
132T81.4Confident75.1Confident120 Ų120114.9 Ų114.974%0.73662%0.619SS**  trans-97.6-0.4-178.644.70000113.2L130L130-T132 PolarHBondContact O-N 3.13Å
133W80.9Confident76.2Confident214 Ų214116.4 Ų116.481%0.81161%0.608SS**  trans-127133.7-172.1-65.157.4000110.2F105F105-W133 VanDerWaalsContact CZ-O 3.27Å; F105-W133 WeakPolarHBondContact CZ-O 3.49Å
134E86.2Confident77.2Confident135 Ų135119.6 Ų119.663%0.63161%0.611SS**  trans-87126.3172-64.6176178.400109.8K136E134-K136 PolarHBondContact O-N 2.98Å; E134-K136 WeakPolarHBondContact OE2-CE 2.89Å; E134-K136 IonicContact OE2-NZ 3.21Å; E134-K136 PolarHBondContact OE2-NZ 3.03Å
135Y87.5Confident78.2Confident89 Ų89117.5 Ų117.535%0.34961%0.608SS.*  trans-72.8125.8166.5-179.4-89.9000109.5A101 E102 F105A101-Y135 HydrophobicContact CB-CE1 4.19Å; E102-Y135 VanDerWaalsContact CA-CD1 3.47Å; E102-Y135 HydrophobicContact CB-CD1 3.77Å; E102-Y135 HydrophobicContact CB-CE1 3.7Å; E102-Y135 HydrophobicContact CG-CD1 4.08Å; E102-Y135 HydrophobicContact CG-CE1 4.43Å; F105-Y135 HydrophobicContact CB-CD1 4.44Å; F105-Y135 HydrophobicContact CB-CG 4.41Å; F105-Y135 VanDerWaalsContact CD1-CB 3.46Å; F105-Y135 VanDerWaalsContact CE1-N 3.31Å; F105-Y135 VanDerWaalsContact CG-CB 3.48Å; F105-Y135 HydrophobicContact CG-CG 4.37Å
136K90Very high79.5Confident111 Ų111118.3 Ų118.348%0.48360%0.599SS.*  trans-126.2129.1170.9-68.4-176.7-178.4168.40109.6E102 E134 K138E102-K136 VanDerWaalsContact OE1-CA 3.3Å; E102-K136 WeakPolarHBondContact OE1-CA 3.45Å; E134-K136 PolarHBondContact O-N 2.98Å; E134-K136 WeakPolarHBondContact OE2-CE 2.89Å; E134-K136 IonicContact OE2-NZ 3.21Å; E134-K136 PolarHBondContact OE2-NZ 3.03Å; K136-K138 VanDerWaalsContact C-N 3.27Å; K136-K138 PolarHBondContact O-N 3.28Å
137A89Confident80.3Confident8 Ų8116.2 Ų116.27%0.06660%0.597CS.*SBendtrans-56.2-43.6179.400000111.4L98 Y99 E102L98-A137 HydrophobicContact CD2-CB 3.67Å; L98-A137 HydrophobicContact CG-CB 3.68Å; Y99-A137 HydrophobicContact CD1-CB 3.8Å; Y99-A137 HydrophobicContact CE1-CB 3.93Å; E102-A137 HydrophobicContact CB-CB 4.34Å; E102-A137 PolarHBondContact OE1-N 2.94Å; E102-A137 VanDerWaalsContact OE2-CB 3.25Å; E102-A137 WeakPolarHBondContact OE2-CB 3.49Å
138K87.1Confident81.4Confident83 Ų83112.8 Ų112.836%0.36159%0.593SS.*SBendtrans-112.794.5175.2-71179.3172.3176.70111E91 Y99 K136 Y143E91-K138 WeakPolarHBondContact OE1-CE 3.32Å; E91-K138 IonicContact OE1-NZ 3.1Å; E91-K138 PolarHBondContact OE1-NZ 3.33Å; E91-K138 IonicContact OE2-NZ 3.01Å; E91-K138 PolarHBondContact OE2-NZ 2.94Å; Y99-K138 WeakPolarHBondContact OH-CE 3.46Å; Y99-K138 PolarHBondContact OH-NZ 2.93Å; K136-K138 VanDerWaalsContact C-N 3.27Å; K136-K138 PolarHBondContact O-N 3.28Å; K138-Y143 HydrophobicContact CB-CD2 4.01Å; K138-Y143 HydrophobicContact CB-CE2 4.34Å; K138-Y143 HydrophobicContact CB-CG 4.31Å; K138-Y143 HydrophobicContact CG-CD2 4.24Å; K138-Y143 HydrophobicContact CG-CE2 4.2Å; K138-Y143 HydrophobicContact CG-CG 4.41Å
139N87.6Confident81.8Confident84 Ų84116.3 Ų116.345%0.44960%0.596SS.*  trans-86143.1178-172.7-31.1000112.3L141 M142 Y143N139-L141 PolarHBondContact O-N 3.42Å; N139-L141 PolarHBondContact OD1-N 2.9Å; N139-M142 PolarHBondContact O-N 3.14Å; N139-Y143 WeakPolarHBondContact O-CB 3.29Å; N139-Y143 WeakPolarHBondContact O-CD2 3.46Å; N139-Y143 PolarHBondContact O-N 3.3Å
140A88.7Confident81.7Confident67 Ų67119 Ų11955%0.55460%0.595SS**THydrogen-bonded Turntrans-59.4-18.2172.800000115.5Y143 P145A140-Y143 CarbonylContact C-O 3.58Å; A140-Y143 WeakPolarHBondContact CA-O 3.41Å; A140-P145 HydrophobicContact CB-CB 4.34Å
141L85.4Confident81.3Confident148 Ų148115.9 Ų115.978%0.77558%0.579SS**THydrogen-bonded Turntrans-72.1-39.8174.1179.363.8000112.2N139N139-L141 PolarHBondContact O-N 3.42Å; N139-L141 PolarHBondContact OD1-N 2.9Å
142M88.6Confident80.7Confident156 Ų156115.6 Ų115.677%0.76858%0.581SS**THydrogen-bonded Turntrans-99.8-32.7-175.5-68.8-58.5-61.700112.7N139N139-M142 PolarHBondContact O-N 3.14Å
143Y88.6Confident79.7Confident116 Ų116113.2 Ų113.246%0.45557%0.574SS.*SBendtrans-108.4156.2179.9-61.4-87.2000109.9K138 N139 A140K138-Y143 HydrophobicContact CB-CD2 4.01Å; K138-Y143 HydrophobicContact CB-CE2 4.34Å; K138-Y143 HydrophobicContact CB-CG 4.31Å; K138-Y143 HydrophobicContact CG-CD2 4.24Å; K138-Y143 HydrophobicContact CG-CE2 4.2Å; K138-Y143 HydrophobicContact CG-CG 4.41Å; N139-Y143 WeakPolarHBondContact O-CB 3.29Å; N139-Y143 WeakPolarHBondContact O-CD2 3.46Å; N139-Y143 PolarHBondContact O-N 3.3Å; A140-Y143 CarbonylContact C-O 3.58Å; A140-Y143 WeakPolarHBondContact CA-O 3.41Å
144Y87.8Confident78.6Confident225 Ų225107.8 Ų107.888%0.88256%0.559SS**PPolyproline II helixtrans-55132.4170.7-64.5-73.8000109.1E146Y144-E146 PolarHBondContact O-N 2.98Å
145P85.1Confident77.3Confident91 Ų91109.6 Ų109.659%0.59157%0.565SS**PPolyproline II helixtrans-55.3135.7177.924.1-33.2000108.2A140 G147A140-P145 HydrophobicContact CB-CB 4.34Å; P145-G147 PolarHBondContact O-N 3.29Å
146E80.2Confident76.1Confident153 Ų153112.1 Ų112.172%0.71558%0.578SS**PPolyproline II helixtrans-50.8119.6169.6-164.2177.6179.200105.6Y144 K149Y144-E146 PolarHBondContact O-N 2.98Å; E146-K149 WeakPolarHBondContact OE1-CE 3.31Å; E146-K149 IonicContact OE1-NZ 2.82Å; E146-K149 PolarHBondContact OE1-NZ 2.95Å; E146-K149 VanDerWaalsContact OE1-NZ 3.1Å
147G74.7Confident75.1Confident54 Ų54113.8 Ų113.856%0.55759%0.585SS**PPolyproline II helixtrans-51.1153.8-178.600000109.1P145 K149P145-G147 PolarHBondContact O-N 3.29Å; G147-K149 PolarHBondContact O-N 2.74Å
148V77.6Confident74.1Confident131 Ų131117.5 Ų117.579%0.79461%0.609SS**  trans-47.6114.8167.8174.90000105.3D150V148-D150 PolarHBondContact O-N 2.84Å
149K69.5Low73.5Confident144 Ų144124.6 Ų124.663%0.62663%0.633SS**  trans-54.3116.4173.2-66.1-156.6176.5-167.20103E146 G147 D151E146-K149 WeakPolarHBondContact OE1-CE 3.31Å; E146-K149 IonicContact OE1-NZ 2.82Å; E146-K149 PolarHBondContact OE1-NZ 2.95Å; E146-K149 VanDerWaalsContact OE1-NZ 3.1Å; G147-K149 PolarHBondContact O-N 2.74Å; K149-D151 PolarHBondContact O-N 2.75Å
150D61.5Low73Confident116 Ų116128.2 Ų128.262%0.6265%0.647SS**  trans-54.3107.6171.5-74.1-41.6000102.7V148 D152V148-D150 PolarHBondContact O-N 2.84Å; D150-D152 PolarHBondContact O-N 3.34Å
151D59.6Low72.6Confident100 Ų100129.5 Ų129.554%0.53565%0.648SS.*  trans-62.589.4169.4-79.3-42.4000101.9K149 A153 I154K149-D151 PolarHBondContact O-N 2.75Å; D151-A153 PolarHBondContact O-N 3.46Å; D151-I154 HydrophobicContact CB-CD1 3.72Å; D151-I154 HydrophobicContact CB-CG1 3.83Å; D151-I154 WeakPolarHBondContact O-CB 3.01Å; D151-I154 PolarHBondContact O-N 3.07Å
152D57.7Low72.4Confident83 Ų83125.4 Ų125.444%0.44463%0.629SS.*Hα-helixtrans-52.5-27.1-178.1-90.8-25000108.8D150 I154 K156D150-D152 PolarHBondContact O-N 3.34Å; D152-I154 VanDerWaalsContact C-N 3.26Å; D152-I154 PolarHBondContact O-N 3.33Å; D152-K156 HydrophobicContact CB-CD 3.85Å; D152-K156 HydrophobicContact CB-CG 4.44Å; D152-K156 WeakPolarHBondContact O-CA 3.45Å; D152-K156 WeakPolarHBondContact O-CB 3.36Å; D152-K156 WeakPolarHBondContact O-CG 3.25Å; D152-K156 PolarHBondContact O-N 2.93Å; D152-K156 VanDerWaalsContact OD1-CE 3.24Å; D152-K156 WeakPolarHBondContact OD1-CE 2.91Å; D152-K156 IonicContact OD1-NZ 2.69Å; D152-K156 PolarHBondContact OD1-NZ 3.14Å; D152-K156 IonicContact OD2-NZ 2.92Å; D152-K156 PolarHBondContact OD2-NZ 3.44Å
153A60.2Low71.8Confident70 Ų70124 Ų12458%0.57962%0.62SS**Hα-helixtrans-61.2-21171.800000115.4D151 K157D151-A153 PolarHBondContact O-N 3.46Å; A153-K157 WeakPolarHBondContact O-CE 3.13Å; A153-K157 WeakPolarHBondContact O-CG 3.49Å
154I58.8Low71.3Confident100 Ų100126.8 Ų126.851%0.51364%0.635SS.*Hα-helixtrans-90.4-44.9179.9-57.6175.8000110.4D151 D152D151-I154 HydrophobicContact CB-CD1 3.72Å; D151-I154 HydrophobicContact CB-CG1 3.83Å; D151-I154 WeakPolarHBondContact O-CB 3.01Å; D151-I154 PolarHBondContact O-N 3.07Å; D152-I154 VanDerWaalsContact C-N 3.26Å; D152-I154 PolarHBondContact O-N 3.33Å
155F57.5Low71Confident172 Ų172122.6 Ų122.675%0.75463%0.628SS**Hα-helixtrans-89-19.9-178-68.1-73.4000114
156K63.6Low70.7Confident143 Ų143123.1 Ų123.162%0.62263%0.63SS**SBendtrans-92.35.9172.3-54.4177.1-176.5170.20113.2D152 P158D152-K156 HydrophobicContact CB-CD 3.85Å; D152-K156 HydrophobicContact CB-CG 4.44Å; D152-K156 WeakPolarHBondContact O-CA 3.45Å; D152-K156 WeakPolarHBondContact O-CB 3.36Å; D152-K156 WeakPolarHBondContact O-CG 3.25Å; D152-K156 PolarHBondContact O-N 2.93Å; D152-K156 VanDerWaalsContact OD1-CE 3.24Å; D152-K156 WeakPolarHBondContact OD1-CE 2.91Å; D152-K156 IonicContact OD1-NZ 2.69Å; D152-K156 PolarHBondContact OD1-NZ 3.14Å; D152-K156 IonicContact OD2-NZ 2.92Å; D152-K156 PolarHBondContact OD2-NZ 3.44Å; K156-P158 WeakPolarHBondContact O-CD 3.01Å
157K68.6Low70.7Confident146 Ų146125.1 Ų125.164%0.63563%0.631SS**SBendtrans-60.6124.3169-60.5-165179.9175.40107.5A153 R159A153-K157 WeakPolarHBondContact O-CE 3.13Å; A153-K157 WeakPolarHBondContact O-CG 3.49Å; K157-R159 PolarHBondContact O-N 3.43Å
158P68.6Low70.8Confident86 Ų86130.8 Ų130.856%0.55864%0.64SS**  trans-57.4137.6178.124.1-32.3000108.6K156 E160K156-P158 WeakPolarHBondContact O-CD 3.01Å; P158-E160 PolarHBondContact O-N 3.07Å
159R73.7Confident70.8Confident232 Ų232131.9 Ų131.988%0.87565%0.647SS**  trans-66.9100.5176.4-70.3-179177.5-176.71.1107.8K157K157-R159 PolarHBondContact O-N 3.43Å
160E76.8Confident71.4Confident159 Ų159127.4 Ų127.474%0.74364%0.641SS**  trans-96.8123.7-179.1-167.3-178.6161.500110.5P158 V162P158-E160 PolarHBondContact O-N 3.07Å; E160-V162 PolarHBondContact O-N 2.91Å
161V79.8Confident72.3Confident94 Ų94126.2 Ų126.257%0.5764%0.635SS**  trans-8197.4172-178.70000108.4H163V161-H163 PolarHBondContact O-CE1 3.24Å; V161-H163 PolarHBondContact O-N 3.39Å; V161-H163 PolarHBondContact O-ND1 2.94Å
162V81.3Confident73.3Confident62 Ų62125.2 Ų125.238%0.37663%0.634SS.*  trans-75.190.5171.6-176.70000108.8E160 K164 N165E160-V162 PolarHBondContact O-N 2.91Å; V162-K164 HydrophobicContact CG1-CB 4.13Å; V162-K164 PolarHBondContact O-N 2.96Å; V162-N165 HydrophobicContact CG1-CB 4.46Å; V162-N165 WeakPolarHBondContact O-CB 3.4Å; V162-N165 PolarHBondContact O-N 3.43Å
163H76.4Confident74.3Confident126 Ų126128.5 Ų128.558%0.58365%0.645SS**G310 helixtrans-59.5-19.4-179-64.583.3000113.8V161 N165 T166V161-H163 PolarHBondContact O-CE1 3.24Å; V161-H163 PolarHBondContact O-N 3.39Å; V161-H163 PolarHBondContact O-ND1 2.94Å; H163-N165 PolarHBondContact O-N 3.38Å; H163-T166 PolarHBondContact O-N 3Å; H163-T166 PolarHBondContact O-OG1 3.33Å
164K79.5Confident75.2Confident175 Ų175128.2 Ų128.276%0.76164%0.639SS**G310 helixtrans-65.9-27172.8-62.2-179.9-179175.30112.2V162V162-K164 HydrophobicContact CG1-CB 4.13Å; V162-K164 PolarHBondContact O-N 2.96Å
165N79.7Confident76.4Confident137 Ų137130.9 Ų130.973%0.73365%0.646SS**G310 helixtrans-86.8-10.7-178.8-67.2-6000113.3V162 H163V162-N165 HydrophobicContact CG1-CB 4.46Å; V162-N165 WeakPolarHBondContact O-CB 3.4Å; V162-N165 PolarHBondContact O-N 3.43Å; H163-N165 PolarHBondContact O-N 3.38Å
166T79.5Confident77.5Confident103 Ų103126.3 Ų126.363%0.63264%0.64SS**G310 helixtrans-97-2.3177.259.40000112.8H163H163-T166 PolarHBondContact O-N 3Å; H163-T166 PolarHBondContact O-OG1 3.33Å
167R79.8Confident78.4Confident194 Ų194124.9 Ų124.973%0.73264%0.639SS**SBendtrans-114.9134.7177.3-62.5-175.7-179-155.50.4109.8V169R167-V169 PolarHBondContact O-N 2.79Å
168F77.4Confident79.3Confident174 Ų174122 Ų12276%0.76363%0.63SS**  trans-67.3121.3169.1-66.1-72.6000108.8G170 P172F168-G170 WeakPolarHBondContact CB-O 3.24Å; F168-G170 PolarHBondContact O-N 2.96Å; F168-P172 HydrophobicContact CD1-CB 4.5Å; F168-P172 HydrophobicContact CD1-CG 4.2Å; F168-P172 HydrophobicContact CE1-CG 4.33Å; F168-P172 HydrophobicContact CG-CG 4.44Å
169V78.4Confident80.2Confident153 Ų153124.4 Ų124.493%0.92763%0.632SS**SBendtrans-67.6-23179.9179.80000111.5R167R167-V169 PolarHBondContact O-N 2.79Å
170G81.3Confident80.9Confident50 Ų50116.2 Ų116.252%0.51561%0.61SS.*SBendtrans-152.8168.217100000110.4F168 P172F168-G170 WeakPolarHBondContact CB-O 3.24Å; F168-G170 PolarHBondContact O-N 2.96Å; G170-P172 VanDerWaalsContact O-CD 3.31Å; G170-P172 WeakPolarHBondContact O-CD 3.48Å
171D80.1Confident81.6Confident91 Ų91115 Ų11549%0.48761%0.605SS.*  trans-61.7115.6177.3-171.4-7.3000109.7F173 K175D171-F173 PolarHBondContact O-N 3.49Å; D171-F173 PolarHBondContact OD1-N 3.18Å; D171-F173 VanDerWaalsContact OD1-N 3.16Å; D171-K175 WeakPolarHBondContact OD2-CE 3.32Å
172P80.2Confident82Confident80 Ų80115.6 Ų115.652%0.51960%0.604SS.*SBendtrans-70.9-10.9-17729.3-34.5000112.5F168 G170F168-P172 HydrophobicContact CD1-CB 4.5Å; F168-P172 HydrophobicContact CD1-CG 4.2Å; F168-P172 HydrophobicContact CE1-CG 4.33Å; F168-P172 HydrophobicContact CG-CG 4.44Å; G170-P172 VanDerWaalsContact O-CD 3.31Å; G170-P172 WeakPolarHBondContact O-CD 3.48Å
173F79.2Confident82.5Confident151 Ų151118.1 Ų118.166%0.66261%0.612SS**SBendtrans-101.7131.6-179.2-58.3-72.8000111.6D171 K175D171-F173 PolarHBondContact O-N 3.49Å; D171-F173 PolarHBondContact OD1-N 3.18Å; D171-F173 VanDerWaalsContact OD1-N 3.16Å; F173-K175 PolarHBondContact O-N 2.84Å
174S80.1Confident83.1Confident64 Ų64118.2 Ų118.245%0.44861%0.612SS.*  trans-67.8105.9174.558.20000110.3A176 L177 N178S174-A176 PolarHBondContact O-N 3.3Å; S174-A176 VanDerWaalsContact O-N 3.12Å; S174-L177 PolarHBondContact O-N 3.14Å; S174-L177 VanDerWaalsContact O-N 3.12Å; S174-L177 VanDerWaalsContact OG-CB 3.27Å; S174-L177 WeakPolarHBondContact OG-CB 3.33Å; S174-L177 VanDerWaalsContact OG-CD1 3.24Å; S174-L177 WeakPolarHBondContact OG-CD1 3.31Å; S174-L177 VanDerWaalsContact OG-CG 3.23Å; S174-L177 WeakPolarHBondContact OG-CG 3.33Å; S174-N178 PolarHBondContact O-N 3.41Å; S174-N178 VanDerWaalsContact O-N 3.17Å
175K82.3Confident83.5Confident156 Ų156112.1 Ų112.168%0.67859%0.594SS**Hα-helixtrans-54.1-33.1178.9-63.4-177.3-179.4-179.50113.2D171 F173 K179D171-K175 WeakPolarHBondContact OD2-CE 3.32Å; F173-K175 PolarHBondContact O-N 2.84Å; K175-K179 WeakPolarHBondContact O-CB 3.39Å; K175-K179 PolarHBondContact O-N 3.45Å
176A82.3Confident83.9Confident76 Ų76108.2 Ų108.263%0.62858%0.581SS**Hα-helixtrans-64-48.2177.700000112.7S174 K179 S180S174-A176 PolarHBondContact O-N 3.3Å; S174-A176 VanDerWaalsContact O-N 3.12Å; A176-K179 PolarHBondContact O-N 3.24Å; A176-S180 PolarHBondContact O-N 3.3Å; A176-S180 PolarHBondContact O-OG 3.42Å
177L82.3Confident84.2Confident114 Ų114105.7 Ų105.760%0.59757%0.571SS**Hα-helixtrans-68.2-38.1179.3-60.3-177.3000111.8S174 S180 Q181S174-L177 PolarHBondContact O-N 3.14Å; S174-L177 VanDerWaalsContact O-N 3.12Å; S174-L177 VanDerWaalsContact OG-CB 3.27Å; S174-L177 WeakPolarHBondContact OG-CB 3.33Å; S174-L177 VanDerWaalsContact OG-CD1 3.24Å; S174-L177 WeakPolarHBondContact OG-CD1 3.31Å; S174-L177 VanDerWaalsContact OG-CG 3.23Å; S174-L177 WeakPolarHBondContact OG-CG 3.33Å; L177-S180 WeakPolarHBondContact CA-OG 3.3Å; L177-S180 PolarHBondContact O-N 2.95Å; L177-S180 PolarHBondContact O-OG 3.4Å; L177-Q181 VanDerWaalsContact O-CB 3.31Å; L177-Q181 WeakPolarHBondContact O-CB 3.39Å; L177-Q181 PolarHBondContact O-N 3.1Å
178N87.1Confident84.6Confident84 Ų84101.1 Ų101.145%0.44956%0.56SS.*Hα-helixtrans-63.5-44.7176.2-166.4-11.3000110.7S174 S180 Q181 I182S174-N178 PolarHBondContact O-N 3.41Å; S174-N178 VanDerWaalsContact O-N 3.17Å; N178-S180 PolarHBondContact O-N 2.83Å; N178-Q181 PolarHBondContact O-N 2.91Å; N178-I182 WeakPolarHBondContact O-CG1 3.48Å; N178-I182 PolarHBondContact O-N 3.36Å; N178-I182 VanDerWaalsContact OD1-CD1 3.27Å; N178-I182 WeakPolarHBondContact OD1-CD1 3.4Å
179K87.5Confident84.8Confident137 Ų13797.5 Ų97.560%0.59655%0.549SS*.Hα-helixtrans-60.8-44.9176.2-173.5175179.6-179.40112.4K175 A176 Q181 I182 Q183K175-K179 WeakPolarHBondContact O-CB 3.39Å; K175-K179 PolarHBondContact O-N 3.45Å; A176-K179 PolarHBondContact O-N 3.24Å; K179-Q181 VanDerWaalsContact C-N 3.33Å; K179-Q181 PolarHBondContact O-N 3.16Å; K179-I182 PolarHBondContact O-N 3.2Å; K179-Q183 WeakPolarHBondContact O-CB 3.27Å; K179-Q183 VanDerWaalsContact O-CG 3.29Å; K179-Q183 WeakPolarHBondContact O-CG 3.4Å; K179-Q183 PolarHBondContact O-N 2.97Å
180S88.8Confident84.8Confident60 Ų6092.6 Ų92.642%0.4252%0.524SS..Hα-helixtrans-64.7-38.3177.257.10000112.1A176 L177 N178 Q183 Q184A176-S180 PolarHBondContact O-N 3.3Å; A176-S180 PolarHBondContact O-OG 3.42Å; L177-S180 WeakPolarHBondContact CA-OG 3.3Å; L177-S180 PolarHBondContact O-N 2.95Å; L177-S180 PolarHBondContact O-OG 3.4Å; N178-S180 PolarHBondContact O-N 2.83Å; S180-Q183 PolarHBondContact O-N 2.94Å; S180-Q184 WeakPolarHBondContact O-CB 3.47Å; S180-Q184 PolarHBondContact O-N 2.95Å
181Q90.4Very high84.6Confident134 Ų13496 Ų9663%0.62653%0.527SS*.Hα-helixtrans-68.1-41.2179.9-168.5172.513.200111.9L177 N178 K179 Q184 A185L177-Q181 VanDerWaalsContact O-CB 3.31Å; L177-Q181 WeakPolarHBondContact O-CB 3.39Å; L177-Q181 PolarHBondContact O-N 3.1Å; N178-Q181 PolarHBondContact O-N 2.91Å; K179-Q181 VanDerWaalsContact C-N 3.33Å; K179-Q181 PolarHBondContact O-N 3.16Å; Q181-Q184 PolarHBondContact O-N 3.41Å; Q181-A185 VanDerWaalsContact O-CB 3.31Å; Q181-A185 WeakPolarHBondContact O-CB 3.48Å; Q181-A185 PolarHBondContact O-N 3.41Å
182I88.6Confident84.4Confident107 Ų10798.5 Ų98.555%0.54953%0.534SS..Hα-helixtrans-62.9-43.7174.3-66.9166.4000110.6N178 K179 A185 A186N178-I182 WeakPolarHBondContact O-CG1 3.48Å; N178-I182 PolarHBondContact O-N 3.36Å; N178-I182 VanDerWaalsContact OD1-CD1 3.27Å; N178-I182 WeakPolarHBondContact OD1-CD1 3.4Å; K179-I182 PolarHBondContact O-N 3.2Å; I182-A185 PolarHBondContact O-N 3.43Å; I182-A186 WeakPolarHBondContact O-CB 3.25Å; I182-A186 PolarHBondContact O-N 3.28Å
183Q91Very high83.7Confident115 Ų115101.1 Ų101.154%0.53754%0.537SS..Hα-helixtrans-63.5-44177.9-74.1175.9-13.400112K179 S180 A186 A187K179-Q183 WeakPolarHBondContact O-CB 3.27Å; K179-Q183 VanDerWaalsContact O-CG 3.29Å; K179-Q183 WeakPolarHBondContact O-CG 3.4Å; K179-Q183 PolarHBondContact O-N 2.97Å; S180-Q183 PolarHBondContact O-N 2.94Å; Q183-A186 PolarHBondContact O-N 2.92Å; Q183-A187 WeakPolarHBondContact O-CB 3.33Å; Q183-A187 PolarHBondContact O-N 2.83Å
184Q89.9Confident82.9Confident128 Ų128101.1 Ų101.160%0.59854%0.539SS*.Hα-helixtrans-64.5-42177.2-169.6177.613.800111.5S180 Q181 A187 L188S180-Q184 WeakPolarHBondContact O-CB 3.47Å; S180-Q184 PolarHBondContact O-N 2.95Å; Q181-Q184 PolarHBondContact O-N 3.41Å; Q184-A187 PolarHBondContact O-N 3.14Å; Q184-L188 WeakPolarHBondContact O-CG 3.29Å; Q184-L188 PolarHBondContact O-N 2.83Å
185A87.9Confident82.1Confident46 Ų46101 Ų10138%0.3855%0.548SS..Hα-helixtrans-64.3-41.2175.600000112.1Q181 I182 L188 N189Q181-A185 VanDerWaalsContact O-CB 3.31Å; Q181-A185 WeakPolarHBondContact O-CB 3.48Å; Q181-A185 PolarHBondContact O-N 3.41Å; I182-A185 PolarHBondContact O-N 3.43Å; A185-L188 PolarHBondContact O-N 2.75Å; A185-N189 WeakPolarHBondContact O-CB 3.28Å; A185-N189 PolarHBondContact O-N 3.25Å; A185-N189 PolarHBondContact O-ND2 3.21Å; A185-N189 VanDerWaalsContact O-ND2 3.16Å
186A87.5Confident81.3Confident55 Ų5598.3 Ų98.346%0.45554%0.536SS..Hα-helixtrans-63.4-43.3175.600000111.9I182 Q183 N189 A190I182-A186 WeakPolarHBondContact O-CB 3.25Å; I182-A186 PolarHBondContact O-N 3.28Å; Q183-A186 PolarHBondContact O-N 2.92Å; A186-N189 PolarHBondContact O-N 3.25Å; A186-A190 WeakPolarHBondContact O-CB 3.28Å; A186-A190 PolarHBondContact O-N 2.79Å
187A86.5Confident80.2Confident51 Ų5198.5 Ų98.542%0.42153%0.53SS..Hα-helixtrans-62.4-45176.500000112Q183 Q184 A190 Q191Q183-A187 WeakPolarHBondContact O-CB 3.33Å; Q183-A187 PolarHBondContact O-N 2.83Å; Q184-A187 PolarHBondContact O-N 3.14Å; A187-A190 PolarHBondContact O-N 3.35Å; A187-Q191 WeakPolarHBondContact O-CG 3.39Å; A187-Q191 PolarHBondContact O-N 2.83Å
188L87.1Confident79.5Confident97 Ų9794 Ų9451%0.50851%0.51SS..Hα-helixtrans-64.8-40.6176.1-72.8178.1000112.3Q184 A185 A190 Q191 F192Q184-L188 WeakPolarHBondContact O-CG 3.29Å; Q184-L188 PolarHBondContact O-N 2.83Å; A185-L188 PolarHBondContact O-N 2.75Å; L188-A190 VanDerWaalsContact C-N 3.31Å; L188-A190 PolarHBondContact O-N 2.74Å; L188-Q191 PolarHBondContact O-N 2.92Å; L188-F192 WeakPolarHBondContact O-CB 3.22Å; L188-F192 PolarHBondContact O-N 3.27Å
189N82.6Confident78.3Confident98 Ų9896.6 Ų96.652%0.52453%0.532SS..Hα-helixtrans-64.2-36.9175.5-76.1-29.2000112.1A185 A186 K193A185-N189 WeakPolarHBondContact O-CB 3.28Å; A185-N189 PolarHBondContact O-N 3.25Å; A185-N189 PolarHBondContact O-ND2 3.21Å; A185-N189 VanDerWaalsContact O-ND2 3.16Å; A186-N189 PolarHBondContact O-N 3.25Å; N189-K193 VanDerWaalsContact O-CG 3.26Å; N189-K193 WeakPolarHBondContact O-CG 3.5Å; N189-K193 PolarHBondContact O-N 3.06Å
190A78.4Confident76.8Confident50 Ų5097 Ų9741%0.41354%0.541SS..Hα-helixtrans-65-46.9173.700000110.9A186 A187 L188 F192 K193 Q194A186-A190 WeakPolarHBondContact O-CB 3.28Å; A186-A190 PolarHBondContact O-N 2.79Å; A187-A190 PolarHBondContact O-N 3.35Å; L188-A190 VanDerWaalsContact C-N 3.31Å; L188-A190 PolarHBondContact O-N 2.74Å; A190-F192 VanDerWaalsContact C-N 3.34Å; A190-F192 PolarHBondContact O-N 3.34Å; A190-K193 PolarHBondContact O-N 2.82Å; A190-Q194 WeakPolarHBondContact O-CG 3.43Å; A190-Q194 PolarHBondContact O-N 3.02Å; A190-Q194 VanDerWaalsContact O-N 3.1Å
191Q77.3Confident75.3Confident123 Ų12397.2 Ų97.258%0.57555%0.552SS**Hα-helixtrans-60.5-40.8176-71.9179.53.200112.5A187 L188 K193 Q194A187-Q191 WeakPolarHBondContact O-CG 3.39Å; A187-Q191 PolarHBondContact O-N 2.83Å; L188-Q191 PolarHBondContact O-N 2.92Å; Q191-K193 VanDerWaalsContact C-N 3.27Å; Q191-K193 PolarHBondContact O-N 2.74Å; Q191-Q194 WeakPolarHBondContact O-CB 3.38Å; Q191-Q194 PolarHBondContact O-N 2.96Å
192F74.6Confident74Confident143 Ų14398.7 Ų98.763%0.62756%0.556SS**Hα-helixtrans-71.1-22179.8-174.1-108.5000113.8L188 A190 K196L188-F192 WeakPolarHBondContact O-CB 3.22Å; L188-F192 PolarHBondContact O-N 3.27Å; A190-F192 VanDerWaalsContact C-N 3.34Å; A190-F192 PolarHBondContact O-N 3.34Å; F192-K196 VanDerWaalsContact CZ-NZ 3.3Å; F192-K196 WeakPolarHBondContact O-CE 3.42Å
193K65.8Low72.6Confident135 Ų13599.2 Ų99.259%0.58756%0.556SS**Hα-helixtrans-86.7-21.6174.7-71.9175.6-179.1-175.20112.3N189 A190 Q191 G195N189-K193 VanDerWaalsContact O-CG 3.26Å; N189-K193 WeakPolarHBondContact O-CG 3.5Å; N189-K193 PolarHBondContact O-N 3.06Å; A190-K193 PolarHBondContact O-N 2.82Å; Q191-K193 VanDerWaalsContact C-N 3.27Å; Q191-K193 PolarHBondContact O-N 2.74Å; K193-G195 PolarHBondContact O-N 3.43Å
194Q64Low71Confident150 Ų15099.3 Ų99.370%0.70156%0.56SS**THydrogen-bonded Turntrans-65.4128.5171.8-72.7175.5-2.100110A190 Q191A190-Q194 WeakPolarHBondContact O-CG 3.43Å; A190-Q194 PolarHBondContact O-N 3.02Å; A190-Q194 VanDerWaalsContact O-N 3.1Å; Q191-Q194 WeakPolarHBondContact O-CB 3.38Å; Q191-Q194 PolarHBondContact O-N 2.96Å
195G62.9Low69.6Low62 Ų6297.1 Ų97.164%0.63955%0.551SS**THydrogen-bonded Turntrans87.62.2177.800000116.2K193 V197K193-G195 PolarHBondContact O-N 3.43Å; G195-V197 PolarHBondContact O-N 2.99Å
196K65.1Low68Low100 Ų10099.8 Ų99.844%0.43557%0.565SS.*  trans-83114.1169.5-69.5-168.2-179.3-171.70110.3F192 L204F192-K196 VanDerWaalsContact CZ-NZ 3.3Å; F192-K196 WeakPolarHBondContact O-CE 3.42Å; K196-L204 WeakPolarHBondContact O-CB 3.46Å; K196-L204 PolarHBondContact O-N 3.42Å
197V58.9Low66.4Low80 Ų80104.6 Ų104.649%0.48558%0.577SS.*BIsolated β-bridgetrans-96.5127.9177.8-177.30000108.3G195 E203G195-V197 PolarHBondContact O-N 2.99Å; V197-E203 HydrophobicContact CG2-CG 4.07Å
198G67.7Low65.1Low18 Ų18110 Ų11019%0.18659%0.594CS.*  trans-69.4171175.700000112.2D200 G201 K202G198-D200 PolarHBondContact O-N 3.47Å; G198-G201 PolarHBondContact O-N 2.92Å; G198-K202 PolarHBondContact N-O 3.03Å; G198-K202 VanDerWaalsContact N-O 3.12Å
199P60.8Low63.7Low140 Ų140107.5 Ų107.591%0.90959%0.585SS**THydrogen-bonded Turntrans-58.4-15.6176.224.8-33.8000114G201P199-G201 VanDerWaalsContact C-N 3.33Å
200D56.7Low62.9Low146 Ų146107.7 Ų107.778%0.78159%0.591SS**THydrogen-bonded Turntrans-85.45.9175.7-65.7-22.3000114.4G198 K202G198-D200 PolarHBondContact O-N 3.47Å; D200-K202 PolarHBondContact O-N 3.48Å; D200-K202 VanDerWaalsContact O-N 3.17Å
201G57.1Low62.4Low63 Ų63109.3 Ų109.365%0.64960%0.596SS**SBendtrans71.77.4176.600000115.2G198 P199G198-G201 PolarHBondContact O-N 2.92Å; P199-G201 VanDerWaalsContact C-N 3.33Å
202K63.7Low61.6Low165 Ų165108 Ų10872%0.71760%0.597SS**SBendtrans-101.8137.6174.2-64.7178.4-176.9174.60110.2G198 D200 L204G198-K202 PolarHBondContact N-O 3.03Å; G198-K202 VanDerWaalsContact N-O 3.12Å; D200-K202 PolarHBondContact O-N 3.48Å; D200-K202 VanDerWaalsContact O-N 3.17Å; K202-L204 PolarHBondContact O-N 3.16Å
203E58.9Low60.8Low119 Ų119108.7 Ų108.756%0.55661%0.607SS**BIsolated β-bridgetrans-58.1131.6171.6-66.1-177.7-175.200109.1V197 I205V197-E203 HydrophobicContact CG2-CG 4.07Å; E203-I205 HydrophobicContact CB-CD1 4.19Å; E203-I205 HydrophobicContact CB-CG1 3.84Å; E203-I205 PolarHBondContact O-N 3.3Å
204L57.7Low61Low117 Ų117105.3 Ų105.361%0.61361%0.611SS**  trans-72.957.8168.5-75.2159.5000109K196 K202 P206K196-L204 WeakPolarHBondContact O-CB 3.46Å; K196-L204 PolarHBondContact O-N 3.42Å; K202-L204 PolarHBondContact O-N 3.16Å; L204-P206 WeakPolarHBondContact O-CD 3.49Å
205I59.6Low61.1Low82 Ų82107.1 Ų107.142%0.42161%0.612SS.*  trans-63.5126.1161.8-56.3165.1000104.3E203 H207E203-I205 HydrophobicContact CB-CD1 4.19Å; E203-I205 HydrophobicContact CB-CG1 3.84Å; E203-I205 PolarHBondContact O-N 3.3Å; I205-H207 PolarHBondContact O-N 2.88Å
206P55.8Low61.6Low102 Ų102106.2 Ų106.266%0.66260%0.603SS**  trans-64.290.5158.72.512.9000104.9L204 E208L204-P206 WeakPolarHBondContact O-CD 3.49Å; P206-E208 PolarHBondContact O-N 3.41Å
207H53.8Low61.8Low155 Ų155108 Ų10872%0.71861%0.611SS**  trans-69.566.3157.8-70.7-71.3000106.4I205 S209I205-H207 PolarHBondContact O-N 2.88Å; H207-S209 PolarHBondContact O-N 3.13Å
208E58.2Low62Low165 Ų165113.4 Ų113.477%0.77163%0.631SS**  trans-60.5114.7157.3-128.2169.5-172.800104.2P206P206-E208 PolarHBondContact O-N 3.41Å
209S58.6Low61.8Low45 Ų45123.5 Ų123.532%0.31566%0.663SS.*PPolyproline II helixtrans-54.2142.7177.449.10000108.3H207 T211 F217H207-S209 PolarHBondContact O-N 3.13Å; S209-T211 PolarHBondContact O-N 2.78Å; S209-F217 PolarHBondContact OG-N 3.43Å
210P65.7Low61.7Low102 Ų102122.8 Ų122.866%0.66266%0.656SS**PPolyproline II helixtrans-50.8121.5-178.116.9-28.8000109.4F217P210-F217 HydrophobicContact CG-CE2 4.27Å; P210-F217 WeakPolarHBondContact O-CD2 3.37Å; P210-F217 WeakPolarHBondContact O-CE2 3.46Å
211T67.6Low61.8Low84 Ų84121.8 Ų121.852%0.51566%0.658SS.*PPolyproline II helixtrans-84.4133.8-178.451.60000109S209 Y215S209-T211 PolarHBondContact O-N 2.78Å; T211-Y215 WeakPolarHBondContact CA-O 3.31Å
212V60.3Low61.5Low96 Ų96123 Ų12358%0.58266%0.656SS**BIsolated β-bridgetrans-108.3119.4171-1790000106.5G214 Y215 F217V212-G214 VanDerWaalsContact C-N 3.26Å; V212-G214 PolarHBondContact O-N 3.26Å; V212-Y215 PolarHBondContact N-O 2.89Å; V212-Y215 PolarHBondContact O-N 3.5Å; V212-F217 HydrophobicContact CG2-CE2 4.46Å; V212-F217 HydrophobicContact CG2-CZ 4.26Å
213N58.9Low61.2Low156 Ų156121.4 Ų121.483%0.83466%0.663SS**THydrogen-bonded Turntrans51.437.7-176.3-73.8-9.1000114.9Y215N213-Y215 WeakPolarHBondContact O-CD2 3.42Å; N213-Y215 PolarHBondContact O-N 2.83Å
214G69.7Low61Low65 Ų65118.9 Ų118.967%0.6766%0.663SS**THydrogen-bonded Turntrans82.44.8173.800000115.9V212V212-G214 VanDerWaalsContact C-N 3.26Å; V212-G214 PolarHBondContact O-N 3.26Å
215Y65.1Low60.6Low187 Ų187119 Ų11973%0.73367%0.67SS**BIsolated β-bridgetrans-109.5132.8172.2-58.9-83.1000110.3T211 V212 N213T211-Y215 WeakPolarHBondContact CA-O 3.31Å; V212-Y215 PolarHBondContact N-O 2.89Å; V212-Y215 PolarHBondContact O-N 3.5Å; N213-Y215 WeakPolarHBondContact O-CD2 3.42Å; N213-Y215 PolarHBondContact O-N 2.83Å
216G74.5Confident60.4Low43 Ų43117.8 Ų117.844%0.44368%0.678SS.*PPolyproline II helixtrans-86.9147.6175.500000111.6E218G216-E218 PolarHBondContact O-N 3.42Å
217F68.4Low60.5Low138 Ų138119.7 Ų119.761%0.60569%0.687SS**PPolyproline II helixtrans-62.8123.9176.3-69.4-80000110.8S209 P210 V212 R219S209-F217 PolarHBondContact OG-N 3.43Å; P210-F217 HydrophobicContact CG-CE2 4.27Å; P210-F217 WeakPolarHBondContact O-CD2 3.37Å; P210-F217 WeakPolarHBondContact O-CE2 3.46Å; V212-F217 HydrophobicContact CG2-CE2 4.46Å; V212-F217 HydrophobicContact CG2-CZ 4.26Å; F217-R219 PolarHBondContact O-N 3.38Å
218E63Low60.5Low194 Ų194117 Ų11791%0.90769%0.692SS**PPolyproline II helixtrans-65127.4176.4-65.9-178.1179.200110.5G216G216-E218 PolarHBondContact O-N 3.42Å
219R64.8Low60.2Low230 Ų230115.4 Ų115.487%0.86869%0.689SS**PPolyproline II helixtrans-76.6129.1175.8-177.5-179.6-79.8174.7-4.2108.6F217F217-R219 PolarHBondContact O-N 3.38Å
220T57.5Low60.1Low124 Ų124118.3 Ų118.376%0.76171%0.709SS**PPolyproline II helixtrans-53.8123.317244.30000110.1S222T220-S222 PolarHBondContact O-N 3.12Å
221P60Low59.7Low125 Ų125119 Ų11981%0.81271%0.714SS**PPolyproline II helixtrans-62.8136.4178.225.6-32.7000109.9
222S50.4Low59.2Low88 Ų88123 Ų12362%0.61573%0.731SS**PPolyproline II helixtrans-60.7139.6177.2174.60000110.6T220 A224T220-S222 PolarHBondContact O-N 3.12Å; S222-A224 PolarHBondContact O-N 3.03Å
223P56Low58.9Low133 Ų133126.1 Ų126.186%0.86474%0.741SS**SBendtrans-68.93.8-177.926.5-33.7000115.2P225P223-P225 VanDerWaalsContact C-CD 3.45Å; P223-P225 VanDerWaalsContact O-CD 3.28Å; P223-P225 WeakPolarHBondContact O-CD 3.27Å
224A54.9Low58.8Low66 Ų66125 Ų12555%0.54574%0.74SS.*  trans-115.279.7173.400000111S222S222-A224 PolarHBondContact O-N 3.03Å
225P50.4Low58.3Low119 Ų119133.4 Ų133.477%0.77375%0.752SS**THydrogen-bonded Turntrans-72.3130171.229.8-30.4000109.3P223P223-P225 VanDerWaalsContact C-CD 3.45Å; P223-P225 VanDerWaalsContact O-CD 3.28Å; P223-P225 WeakPolarHBondContact O-CD 3.27Å
226G54.5Low57.8Low56 Ų56127.3 Ų127.358%0.57775%0.746SS**THydrogen-bonded Turntrans1260.2169.200000118.1
227V57.5Low56.9Low142 Ų142133.3 Ų133.386%0.86176%0.762SS**SBendtrans-98.1-13.9176-175.40000112.9
228A53.9Low56.3Low99 Ų99134.4 Ų134.482%0.81877%0.773SS**SBendtrans-117-1.1-179.200000114.6
229D53.2Low55.9Low131 Ų131132.9 Ų132.970%0.70177%0.765SS**SBendtrans-92.8116.9177.1-66.6-31.9000109.5
230S56.1Low55.1Low107 Ų107126.6 Ų126.675%0.74876%0.757SS**  trans-38.5141.1166.4174.70000111.1L232S230-L232 PolarHBondContact O-N 3.29Å
231P57.8Low55.1Low116 Ų116127 Ų12775%0.75376%0.76SS**  trans-54.7136.6-174.222.2-33000111.4M233P231-M233 PolarHBondContact O-N 3.21Å
232L56.3Low54.9Low167 Ų167127.1 Ų127.187%0.87476%0.76SS**  trans-45.8111.9174.9-147.689.1000108.9S230 T234S230-L232 PolarHBondContact O-N 3.29Å; L232-T234 PolarHBondContact O-N 3.18Å
233M53.5Low55.3Low162 Ų162131.5 Ų131.580%0.79877%0.768SS**  trans-5798.5178-173.188.184.700109.3P231 W235P231-M233 PolarHBondContact O-N 3.21Å; M233-W235 PolarHBondContact O-N 2.91Å; M233-W235 VanDerWaalsContact O-N 3.16Å
234T57.6Low55.2Low132 Ų132136.3 Ų136.381%0.8177%0.769SS**  trans-70.3107.7169.58.10000107.4L232 G236L232-T234 PolarHBondContact O-N 3.18Å; T234-G236 VanDerWaalsContact C-N 3.33Å; T234-G236 PolarHBondContact O-N 2.89Å
235W59.5Low55.2Low243 Ų243140 Ų14092%0.9278%0.779SS**  trans-63.2100.7163.9-71.270.9000106.7M233 E237M233-W235 PolarHBondContact O-N 2.91Å; M233-W235 VanDerWaalsContact O-N 3.16Å; W235-E237 PolarHBondContact O-N 3.08Å
236G54.3Low55.1Low59 Ų59141.3 Ų141.361%0.60878%0.779SS**  trans-57.8136171.400000110T234 I238T234-G236 VanDerWaalsContact C-N 3.33Å; T234-G236 PolarHBondContact O-N 2.89Å; G236-I238 PolarHBondContact O-N 3.01Å
237E55.5Low55.2Low169 Ų169142.6 Ų142.679%0.7979%0.793SS**  trans-57.4115.8171.4-171170.3-150.300109.9W235 E239W235-E237 PolarHBondContact O-N 3.08Å; E237-E239 HydrophobicContact CG-CG 4.21Å
238I55.3Low55.2Low160 Ų160140.8 Ų140.882%0.82179%0.786SS**  trans-104.274.6173.9-54.5173.9000107.6G236 S240G236-I238 PolarHBondContact O-N 3.01Å; I238-S240 PolarHBondContact O-N 3.12Å
239E54.2Low55.1Low162 Ų162143.1 Ų143.176%0.75779%0.785SS**  trans-84.687160-72.4-164.7157.300108.8E237E237-E239 HydrophobicContact CG-CG 4.21Å
240S47.7Very low55.1Low98 Ų98142.2 Ų142.269%0.68578%0.784SS**SBendtrans169.9138.8139.447.90000111.8I238I238-S240 PolarHBondContact O-N 3.12Å
241T57.6Low54.9Low134 Ų134142.1 Ų142.182%0.82278%0.781SS**  trans-48.7128.3173.3-13.90000111.2F243T241-F243 PolarHBondContact O-N 3.16Å
242P56.8Low54.7Low126 Ų126145.8 Ų145.882%0.81878%0.781SS**  trans-65.8111.8-178.323.8-31.5000111.1
243F57.6Low54.4Low180 Ų180143 Ų14379%0.78977%0.771SS**  trans-76.1132.7173.2-171.1-98.8000109.9T241 L245T241-F243 PolarHBondContact O-N 3.16Å; F243-L245 PolarHBondContact O-N 3.43Å
244R55.2Low54.4Low234 Ų234142.6 Ų142.688%0.88377%0.767SS**  trans-78.8111.3178.3-60.7178.185.8136.92.4108.8
245L54.5Low54.3Low144 Ų144146.3 Ų146.375%0.75477%0.767SS**  trans-81.2123.1167.8-80.1160.7000109.3F243F243-L245 PolarHBondContact O-N 3.43Å
246D48.8Very low54Low146 Ų146140.4 Ų140.478%0.78175%0.753SS**  trans-69.4133.2170.6-165.54.2000109.3S248D246-S248 PolarHBondContact O-N 3.49Å
247G56.8Low54.1Low83 Ų83147.5 Ų147.586%0.85677%0.77SS**THydrogen-bonded Turntrans-77.632-156.500000116.7
248S56.2Low54.6Low104 Ų104141.5 Ų141.573%0.72775%0.753SS**THydrogen-bonded Turntrans-1290.1-172.864.90000117.4D246D246-S248 PolarHBondContact O-N 3.49Å
249D53.1Low55.2Low149 Ų149140.9 Ų140.980%0.79776%0.76SS**  trans-143.356.5-174-147.413.9000115.4
250T52.4Low56Low111 Ų111136.1 Ų136.168%0.68174%0.744SS**  trans-127.2118.6157.458.90000109.2Y252T250-Y252 PolarHBondContact O-N 2.94Å
251P52.8Low57.5Low105 Ų105140.1 Ų140.168%0.68275%0.75SS**  trans-59.8142.7169.126.5-31.8000108.3V253P251-V253 VanDerWaalsContact C-N 3.3Å; P251-V253 PolarHBondContact O-N 3.37Å
252Y53.5Low58.5Low193 Ų193141.7 Ų141.776%0.75775%0.745SS**  trans-54.789.9178.9-177.9-95.8000110.2T250 E254T250-Y252 PolarHBondContact O-N 2.94Å; Y252-E254 HydrophobicContact CD1-CB 4.48Å; Y252-E254 HydrophobicContact CE1-CB 4.13Å; Y252-E254 HydrophobicContact CE1-CG 4.21Å; Y252-E254 PolarHBondContact O-N 2.89Å
253V49.4Very low60Low109 Ų109142.2 Ų142.266%0.66174%0.74SS**  trans-85.6106.1170.8179.90000106.6P251 R255P251-V253 VanDerWaalsContact C-N 3.3Å; P251-V253 PolarHBondContact O-N 3.37Å; V253-R255 HydrophobicContact CG1-CB 4.45Å; V253-R255 HydrophobicContact CG1-CG 4.23Å; V253-R255 PolarHBondContact O-N 3.33Å
254E53.9Low61.3Low153 Ų153138.9 Ų138.972%0.71574%0.736SS**  trans-65.973.5174.1-160.6163.5-135.800110.2Y252Y252-E254 HydrophobicContact CD1-CB 4.48Å; Y252-E254 HydrophobicContact CE1-CB 4.13Å; Y252-E254 HydrophobicContact CE1-CG 4.21Å; Y252-E254 PolarHBondContact O-N 2.89Å
255R56.1Low62.7Low211 Ų211135 Ų13580%0.79673%0.728SS**  trans-118.181.5168.1-91.5-170.5178.5-174.61.1109.4V253V253-R255 HydrophobicContact CG1-CB 4.45Å; V253-R255 HydrophobicContact CG1-CG 4.23Å; V253-R255 PolarHBondContact O-N 3.33Å
256N52.5Low64.4Low119 Ų119130.6 Ų130.664%0.63671%0.708SS**  trans-130.576.2165.8-71-55.2000109.2G258N256-G258 PolarHBondContact O-N 2.89Å; N256-G258 VanDerWaalsContact O-N 3.14Å
257H55.9Low66.5Low207 Ų207125.6 Ų125.696%0.95869%0.691SS**  trans-8261.1161.9-79.277.8000109.1
258G66.9Low68.2Low43 Ų43132.8 Ų132.844%0.44369%0.692SS.*SBendtrans-166.6161.6178.700000111.6N256 S260N256-G258 PolarHBondContact O-N 2.89Å; N256-G258 VanDerWaalsContact O-N 3.14Å; G258-S260 PolarHBondContact O-N 3.43Å
259P67.6Low70Confident147 Ų147138.9 Ų138.996%0.95570%0.699SS**  trans-63106.8-178.6-6.417.8000109.9
260S70.7Confident71.9Confident62 Ų62137 Ų13743%0.43469%0.686SS.*  trans-92.5125177.251.40000109.7G258 K262G258-S260 PolarHBondContact O-N 3.43Å; S260-K262 PolarHBondContact O-N 2.87Å
261F79.6Confident73.9Confident182 Ų182136.7 Ų136.780%0.79867%0.672SS**  trans-68117.7171.7177.5-104.1000109I263F261-I263 HydrophobicContact CD1-CG1 4.18Å; F261-I263 HydrophobicContact CE1-CD1 4.05Å; F261-I263 HydrophobicContact CE1-CG1 3.38Å; F261-I263 HydrophobicContact CZ-CG1 3.94Å
262K79.3Confident75.9Confident167 Ų167136.6 Ų136.673%0.72667%0.666SS**  trans-113.2121.1174.6-64.2-174.8-178.6-177.20108.5S260 P264S260-K262 PolarHBondContact O-N 2.87Å; K262-P264 WeakPolarHBondContact O-CD 3.23Å
263I86.8Confident77.9Confident137 Ų137129.3 Ų129.370%0.70365%0.649SS**PPolyproline II helixtrans-72.8119.4171.9-61.6174.6000107.2F261F261-I263 HydrophobicContact CD1-CG1 4.18Å; F261-I263 HydrophobicContact CE1-CD1 4.05Å; F261-I263 HydrophobicContact CE1-CG1 3.38Å; F261-I263 HydrophobicContact CZ-CG1 3.94Å
264P84.6Confident80.1Confident110 Ų110128 Ų12871%0.71464%0.637SS**PPolyproline II helixtrans-66.4144.6177.227.3-32.9000110.2K262K262-P264 WeakPolarHBondContact O-CD 3.23Å
265E85.9Confident82.1Confident153 Ų153127.7 Ų127.772%0.71563%0.633SS**PPolyproline II helixtrans-60.7145.6173.4-65.7-169.4169.500111.2G267 R271E265-G267 PolarHBondContact O-N 3.43Å; E265-R271 IonicContact OE2-CZ 3.34Å; E265-R271 IonicContact OE2-NH1 3.92Å; E265-R271 IonicContact OE2-NH2 3.94Å; E265-R271 PolarHBondContact OE2-NH2 3.42Å
266P89.4Confident84Confident52 Ų52123.4 Ų123.434%0.33862%0.624SS.*PPolyproline II helixtrans-58.2141.8-178.322.8-33.8000111.1E270 R271P266-E270 WeakPolarHBondContact CA-OE2 3.24Å; P266-E270 HydrophobicContact CB-CB 4.19Å; P266-E270 VanDerWaalsContact CB-CD 3.48Å; P266-E270 HydrophobicContact CB-CG 3.95Å; P266-E270 VanDerWaalsContact CB-OE2 3.25Å; P266-E270 WeakPolarHBondContact CB-OE2 3.44Å; P266-R271 HydrophobicContact CB-CG 4.3Å; P266-R271 HydrophobicContact CG-CG 4.08Å; P266-R271 VanDerWaalsContact O-CZ 3.28Å; P266-R271 PolarHBondContact O-NE 3.26Å; P266-R271 PolarHBondContact O-NH2 2.95Å; P266-R271 VanDerWaalsContact O-NH2 3.07Å
267G93.8Very high86.1Confident41 Ų41120.5 Ų120.542%0.42362%0.616SS.*PPolyproline II helixtrans-66.9166.1-177.100000113.3E265 R269 E270 R271E265-G267 PolarHBondContact O-N 3.43Å; G267-R269 VanDerWaalsContact C-N 3.27Å; G267-R269 PolarHBondContact O-N 3.2Å; G267-E270 PolarHBondContact N-OE2 2.87Å; G267-E270 PolarHBondContact O-N 2.68Å; G267-E270 VanDerWaalsContact O-N 3.09Å; G267-R271 WeakPolarHBondContact O-CG 3.27Å; G267-R271 PolarHBondContact O-N 3.33Å
268R92.5Very high88Confident234 Ų234115.5 Ų115.588%0.88360%0.597SS**Hα-helixtrans-54.4-40.8179.1-74.9-172.5174.9-159.3-0.5113L272R268-L272 PolarHBondContact O-N 3.44Å; R268-L272 VanDerWaalsContact O-N 3.09Å
269R93.2Very high89.5Confident231 Ų231118.3 Ų118.387%0.87260%0.598SS**Hα-helixtrans-64.9-43.2177.4-177.4-179-179.1-172.50.7112.1G267 L272 G273G267-R269 VanDerWaalsContact C-N 3.27Å; G267-R269 PolarHBondContact O-N 3.2Å; R269-L272 WeakPolarHBondContact O-CB 3.36Å; R269-L272 PolarHBondContact O-N 2.87Å; R269-G273 PolarHBondContact O-N 2.95Å
270E92.2Very high90.9Very high111 Ų111113.6 Ų113.652%0.51957%0.572SS.*Hα-helixtrans-69-43.4-179-174.1179.4-176.200111.3P266 G267 L272 G273 I274P266-E270 WeakPolarHBondContact CA-OE2 3.24Å; P266-E270 HydrophobicContact CB-CB 4.19Å; P266-E270 VanDerWaalsContact CB-CD 3.48Å; P266-E270 HydrophobicContact CB-CG 3.95Å; P266-E270 VanDerWaalsContact CB-OE2 3.25Å; P266-E270 WeakPolarHBondContact CB-OE2 3.44Å; G267-E270 PolarHBondContact N-OE2 2.87Å; G267-E270 PolarHBondContact O-N 2.68Å; G267-E270 VanDerWaalsContact O-N 3.09Å; E270-L272 VanDerWaalsContact C-N 3.26Å; E270-L272 PolarHBondContact O-N 3.43Å; E270-G273 PolarHBondContact O-N 2.98Å; E270-G273 VanDerWaalsContact O-N 3.1Å; E270-I274 HydrophobicContact CG-CD1 4.09Å; E270-I274 WeakPolarHBondContact O-CG1 3.41Å; E270-I274 PolarHBondContact O-N 3.16Å
271R95.1Very high92Very high104 Ų104112.1 Ų112.139%0.39256%0.563SS.*Hα-helixtrans-56.6-41171.3-67.9179.8-157.6-174.61.3111.7E265 P266 G267 K275E265-R271 IonicContact OE2-CZ 3.34Å; E265-R271 IonicContact OE2-NH1 3.92Å; E265-R271 IonicContact OE2-NH2 3.94Å; E265-R271 PolarHBondContact OE2-NH2 3.42Å; P266-R271 HydrophobicContact CB-CG 4.3Å; P266-R271 HydrophobicContact CG-CG 4.08Å; P266-R271 VanDerWaalsContact O-CZ 3.28Å; P266-R271 PolarHBondContact O-NE 3.26Å; P266-R271 PolarHBondContact O-NH2 2.95Å; P266-R271 VanDerWaalsContact O-NH2 3.07Å; G267-R271 WeakPolarHBondContact O-CG 3.27Å; G267-R271 PolarHBondContact O-N 3.33Å; R271-K275 WeakPolarHBondContact O-CB 3.48Å; R271-K275 VanDerWaalsContact O-CG 3.24Å; R271-K275 WeakPolarHBondContact O-CG 3.32Å; R271-K275 PolarHBondContact O-N 3.46Å
272L95.3Very high92.8Very high103 Ų103105.9 Ų105.954%0.53955%0.546SS..Hα-helixtrans-65.7-43.1176.1-175.763000111.5R268 R269 E270 K275 M276R268-L272 PolarHBondContact O-N 3.44Å; R268-L272 VanDerWaalsContact O-N 3.09Å; R269-L272 WeakPolarHBondContact O-CB 3.36Å; R269-L272 PolarHBondContact O-N 2.87Å; E270-L272 VanDerWaalsContact C-N 3.26Å; E270-L272 PolarHBondContact O-N 3.43Å; L272-K275 PolarHBondContact O-N 3.02Å; L272-M276 HydrophobicContact CG-SD 4.39Å; L272-M276 WeakPolarHBondContact O-CG 3.49Å; L272-M276 PolarHBondContact O-N 3.39Å
273G96.1Very high93.6Very high39 Ų39104 Ų10440%0.40254%0.537SS..Hα-helixtrans-59.4-47175.300000112.6R269 E270 K275 M276 A277R269-G273 PolarHBondContact O-N 2.95Å; E270-G273 PolarHBondContact O-N 2.98Å; E270-G273 VanDerWaalsContact O-N 3.1Å; G273-K275 VanDerWaalsContact C-N 3.34Å; G273-K275 PolarHBondContact O-N 3.24Å; G273-M276 PolarHBondContact O-N 3.17Å; G273-A277 WeakPolarHBondContact O-CB 3.41Å; G273-A277 PolarHBondContact O-N 2.95Å
274I95Very high94Very high81 Ų81102.7 Ų102.742%0.41553%0.532SS..Hα-helixtrans-61.8-43176.3-65.8166.2000110.6E270 A277 N278E270-I274 HydrophobicContact CG-CD1 4.09Å; E270-I274 WeakPolarHBondContact O-CG1 3.41Å; E270-I274 PolarHBondContact O-N 3.16Å; I274-A277 PolarHBondContact O-N 3.33Å; I274-N278 WeakPolarHBondContact O-CB 3.21Å; I274-N278 VanDerWaalsContact O-CG 3.26Å; I274-N278 PolarHBondContact O-N 3.27Å; I274-N278 PolarHBondContact O-ND2 2.9Å
275K96.4Very high94.4Very high147 Ų147105.4 Ų105.464%0.63953%0.528SS*.Hα-helixtrans-60.4-48.3175.9-77.6177.8-179-170.80112R271 L272 G273 A277 N278 E279R271-K275 WeakPolarHBondContact O-CB 3.48Å; R271-K275 VanDerWaalsContact O-CG 3.24Å; R271-K275 WeakPolarHBondContact O-CG 3.32Å; R271-K275 PolarHBondContact O-N 3.46Å; L272-K275 PolarHBondContact O-N 3.02Å; G273-K275 VanDerWaalsContact C-N 3.34Å; G273-K275 PolarHBondContact O-N 3.24Å; K275-A277 PolarHBondContact O-N 2.88Å; K275-N278 PolarHBondContact O-N 2.9Å; K275-E279 WeakPolarHBondContact O-CB 3.37Å; K275-E279 PolarHBondContact O-N 3.47Å
276M96.1Very high94.9Very high121 Ų121100.7 Ų100.760%0.59652%0.515SS*.Hα-helixtrans-63.6-40.7178.5-71.1-177.371.600112.1L272 G273 E279 A280L272-M276 HydrophobicContact CG-SD 4.39Å; L272-M276 WeakPolarHBondContact O-CG 3.49Å; L272-M276 PolarHBondContact O-N 3.39Å; G273-M276 PolarHBondContact O-N 3.17Å; M276-E279 PolarHBondContact O-N 2.9Å; M276-A280 WeakPolarHBondContact O-CB 3.46Å; M276-A280 PolarHBondContact O-N 3.4Å
277A96.4Very high95.1Very high58 Ų58105.5 Ų105.548%0.47953%0.531SS..Hα-helixtrans-63.1-45.3176.600000111.6G273 I274 K275 A280 A281G273-A277 WeakPolarHBondContact O-CB 3.41Å; G273-A277 PolarHBondContact O-N 2.95Å; I274-A277 PolarHBondContact O-N 3.33Å; K275-A277 PolarHBondContact O-N 2.88Å; A277-A280 PolarHBondContact O-N 3.42Å; A277-A281 VanDerWaalsContact O-CB 3.29Å; A277-A281 WeakPolarHBondContact O-CB 3.33Å; A277-A281 PolarHBondContact O-N 2.93Å
278N96.1Very high95.1Very high102 Ų102110.5 Ų110.555%0.54554%0.541SS..Hα-helixtrans-64.6-40.9176.9-74.4-22.2000112I274 K275 A281 A282I274-N278 WeakPolarHBondContact O-CB 3.21Å; I274-N278 VanDerWaalsContact O-CG 3.26Å; I274-N278 PolarHBondContact O-N 3.27Å; I274-N278 PolarHBondContact O-ND2 2.9Å; K275-N278 PolarHBondContact O-N 2.9Å; N278-A281 PolarHBondContact O-N 3.16Å; N278-A282 VanDerWaalsContact O-CB 3.29Å; N278-A282 WeakPolarHBondContact O-CB 3.14Å; N278-A282 PolarHBondContact O-N 3.23Å
279E97.1Very high95.1Very high103 Ų103106 Ų10648%0.48153%0.53SS..Hα-helixtrans-65.9-43.5177.1-165.7-171.7154.500111.7K275 M276 A282 K283K275-E279 WeakPolarHBondContact O-CB 3.37Å; K275-E279 PolarHBondContact O-N 3.47Å; M276-E279 PolarHBondContact O-N 2.9Å; E279-A282 PolarHBondContact O-N 3.35Å; E279-K283 WeakPolarHBondContact O-CB 3.32Å; E279-K283 WeakPolarHBondContact O-CG 3.18Å; E279-K283 PolarHBondContact O-N 2.92Å; E279-K283 WeakPolarHBondContact OE1-CE 3.3Å; E279-K283 IonicContact OE1-NZ 2.77Å; E279-K283 PolarHBondContact OE1-NZ 3.48Å
280A96.6Very high95Very high47 Ų4799.9 Ų99.939%0.38851%0.511SS..Hα-helixtrans-63.7-43.4175.100000111.7M276 A277 A282 K283 N284M276-A280 WeakPolarHBondContact O-CB 3.46Å; M276-A280 PolarHBondContact O-N 3.4Å; A277-A280 PolarHBondContact O-N 3.42Å; A280-A282 VanDerWaalsContact C-N 3.34Å; A280-A282 PolarHBondContact O-N 3.41Å; A280-K283 PolarHBondContact O-N 2.89Å; A280-N284 WeakPolarHBondContact O-CB 3.31Å; A280-N284 PolarHBondContact O-N 2.85Å; A280-N284 PolarHBondContact O-ND2 3.49Å; A280-N284 VanDerWaalsContact O-ND2 3.16Å
281A95.6Very high94.8Very high31 Ų3197.2 Ų97.226%0.25651%0.508SS..Hα-helixtrans-62.3-41.4175.200000111.7A277 N278 N284 R285A277-A281 VanDerWaalsContact O-CB 3.29Å; A277-A281 WeakPolarHBondContact O-CB 3.33Å; A277-A281 PolarHBondContact O-N 2.93Å; N278-A281 PolarHBondContact O-N 3.16Å; A281-N284 PolarHBondContact O-N 3.06Å; A281-R285 WeakPolarHBondContact O-CG 3.37Å; A281-R285 PolarHBondContact O-N 3.48Å
282A95.7Very high94.3Very high52 Ų5297.1 Ų97.143%0.4351%0.514SS..Hα-helixtrans-63.5-46.3175.600000111.8N278 E279 A280 N284 R285 A286N278-A282 VanDerWaalsContact O-CB 3.29Å; N278-A282 WeakPolarHBondContact O-CB 3.14Å; N278-A282 PolarHBondContact O-N 3.23Å; E279-A282 PolarHBondContact O-N 3.35Å; A280-A282 VanDerWaalsContact C-N 3.34Å; A280-A282 PolarHBondContact O-N 3.41Å; A282-N284 VanDerWaalsContact C-N 3.34Å; A282-N284 PolarHBondContact O-N 3.38Å; A282-R285 PolarHBondContact O-N 3.4Å; A282-A286 WeakPolarHBondContact O-CB 3.09Å; A282-A286 PolarHBondContact O-N 2.98Å
283K95.8Very high93.9Very high127 Ų12799.8 Ų99.855%0.55252%0.518SS*.Hα-helixtrans-59.2-43.2175.7-75.4174.4-178.7171.30112E279 A280 A286 K287E279-K283 WeakPolarHBondContact O-CB 3.32Å; E279-K283 WeakPolarHBondContact O-CG 3.18Å; E279-K283 PolarHBondContact O-N 2.92Å; E279-K283 WeakPolarHBondContact OE1-CE 3.3Å; E279-K283 IonicContact OE1-NZ 2.77Å; E279-K283 PolarHBondContact OE1-NZ 3.48Å; A280-K283 PolarHBondContact O-N 2.89Å; K283-A286 PolarHBondContact O-N 2.94Å; K283-K287 WeakPolarHBondContact O-CB 3.35Å; K283-K287 PolarHBondContact O-N 3.35Å
284N94.4Very high93.2Very high110 Ų110104.7 Ų104.759%0.58852%0.524SS*.Hα-helixtrans-66.7-40.7177.5-74.8-35.6000112.4A280 A281 A282 K288A280-N284 WeakPolarHBondContact O-CB 3.31Å; A280-N284 PolarHBondContact O-N 2.85Å; A280-N284 PolarHBondContact O-ND2 3.49Å; A280-N284 VanDerWaalsContact O-ND2 3.16Å; A281-N284 PolarHBondContact O-N 3.06Å; A282-N284 VanDerWaalsContact C-N 3.34Å; A282-N284 PolarHBondContact O-N 3.38Å; N284-K288 WeakPolarHBondContact O-CB 3.29Å; N284-K288 PolarHBondContact O-N 2.91Å
285R94.7Very high92.4Very high166 Ų166104.7 Ų104.763%0.62653%0.528SS*.Hα-helixtrans-63.8-44.1174-73.5-178.4-167.9118.3-1.6111.7A281 A282 K288 Q289A281-R285 WeakPolarHBondContact O-CG 3.37Å; A281-R285 PolarHBondContact O-N 3.48Å; A282-R285 PolarHBondContact O-N 3.4Å; R285-K288 PolarHBondContact O-N 3.43Å; R285-Q289 WeakPolarHBondContact O-CB 3.38Å; R285-Q289 WeakPolarHBondContact O-CG 3.37Å; R285-Q289 PolarHBondContact O-N 3.1Å
286A94.9Very high91.6Very high54 Ų54101.5 Ų101.545%0.44652%0.52SS..Hα-helixtrans-62.1-45.8177.200000111.7A282 K283 K288 Q289 E290A282-A286 WeakPolarHBondContact O-CB 3.09Å; A282-A286 PolarHBondContact O-N 2.98Å; K283-A286 PolarHBondContact O-N 2.94Å; A286-K288 VanDerWaalsContact C-N 3.32Å; A286-K288 PolarHBondContact O-N 2.88Å; A286-Q289 PolarHBondContact O-N 3.09Å; A286-E290 PolarHBondContact O-N 3.3Å
287K94.3Very high90.6Very high154 Ų15499.7 Ų99.767%0.6751%0.511SS*.Hα-helixtrans-60.3-41.1175.1-174178.6-179.7-178.70112.1K283 A291K283-K287 WeakPolarHBondContact O-CB 3.35Å; K283-K287 PolarHBondContact O-N 3.35Å; K287-A291 WeakPolarHBondContact O-CB 3.29Å; K287-A291 PolarHBondContact O-N 3.39Å
288K94Very high89Confident146 Ų146102.5 Ų102.564%0.63552%0.518SS*.Hα-helixtrans-63.8-45175.2-176.4177.6178.4178.70111.2N284 R285 A286 A291 L292N284-K288 WeakPolarHBondContact O-CB 3.29Å; N284-K288 PolarHBondContact O-N 2.91Å; R285-K288 PolarHBondContact O-N 3.43Å; A286-K288 VanDerWaalsContact C-N 3.32Å; A286-K288 PolarHBondContact O-N 2.88Å; K288-A291 PolarHBondContact O-N 2.86Å; K288-L292 HydrophobicContact CG-CD1 4.27Å; K288-L292 WeakPolarHBondContact O-CB 3.34Å; K288-L292 VanDerWaalsContact O-CG 3.27Å; K288-L292 WeakPolarHBondContact O-CG 3.5Å; K288-L292 PolarHBondContact O-N 3.32Å
289Q93Very high87.5Confident139 Ų139103.8 Ų103.865%0.6552%0.524SS*.Hα-helixtrans-64.6-40.9177.6-75177.2-11.700112.2R285 A286 L292 R293R285-Q289 WeakPolarHBondContact O-CB 3.38Å; R285-Q289 WeakPolarHBondContact O-CG 3.37Å; R285-Q289 PolarHBondContact O-N 3.1Å; A286-Q289 PolarHBondContact O-N 3.09Å; Q289-L292 PolarHBondContact O-N 2.92Å; Q289-R293 WeakPolarHBondContact O-CB 3.49Å; Q289-R293 PolarHBondContact O-N 3.07Å
290E89.5Confident85.7Confident103 Ų103102.9 Ų102.948%0.48153%0.533SS..Hα-helixtrans-65.9-44.2175.4-169.8-17817400111.2A286 L292 R293 R294A286-E290 PolarHBondContact O-N 3.3Å; E290-L292 VanDerWaalsContact C-N 3.32Å; E290-L292 PolarHBondContact O-N 3.34Å; E290-R293 WeakPolarHBondContact O-CB 3.29Å; E290-R293 PolarHBondContact O-N 3.29Å; E290-R293 VanDerWaalsContact O-N 3.14Å; E290-R294 HydrophobicContact CG-CG 4.46Å; E290-R294 VanDerWaalsContact O-CG 3.28Å; E290-R294 WeakPolarHBondContact O-CG 3.36Å; E290-R294 PolarHBondContact O-N 2.9Å; E290-R294 IonicContact OE1-CZ 2.82Å; E290-R294 IonicContact OE1-NE 2.75Å; E290-R294 IonicContact OE1-NH2 3.51Å; E290-R294 PolarHBondContact OE1-NH2 3.22Å
291A88.3Confident83.6Confident55 Ų55103.7 Ų103.746%0.45554%0.536SS..Hα-helixtrans-59-44.3175.700000111.7K287 K288 R294 V295K287-A291 WeakPolarHBondContact O-CB 3.29Å; K287-A291 PolarHBondContact O-N 3.39Å; K288-A291 PolarHBondContact O-N 2.86Å; A291-R294 PolarHBondContact O-N 3.09Å; A291-V295 WeakPolarHBondContact O-CG2 3.31Å; A291-V295 PolarHBondContact O-N 2.95Å
292L85.9Confident81.5Confident101 Ų101110 Ų11053%0.52957%0.565SS.*Hα-helixtrans-62-44.7173.8-71.3173.6000111.3K288 Q289 E290 R294 V295 T296K288-L292 HydrophobicContact CG-CD1 4.27Å; K288-L292 WeakPolarHBondContact O-CB 3.34Å; K288-L292 VanDerWaalsContact O-CG 3.27Å; K288-L292 WeakPolarHBondContact O-CG 3.5Å; K288-L292 PolarHBondContact O-N 3.32Å; Q289-L292 PolarHBondContact O-N 2.92Å; E290-L292 VanDerWaalsContact C-N 3.32Å; E290-L292 PolarHBondContact O-N 3.34Å; L292-R294 VanDerWaalsContact C-N 3.34Å; L292-R294 PolarHBondContact O-N 3.46Å; L292-V295 PolarHBondContact O-N 2.96Å; L292-T296 WeakPolarHBondContact O-CG2 3.35Å; L292-T296 PolarHBondContact O-N 2.91Å; L292-T296 PolarHBondContact O-OG1 3.27Å
293R86.9Confident79.3Confident160 Ų160112 Ų11260%0.60457%0.572SS**Hα-helixtrans-59.1-44177-175.4178168.1169.90.9111.8Q289 E290 V295 T296 E297Q289-R293 WeakPolarHBondContact O-CB 3.49Å; Q289-R293 PolarHBondContact O-N 3.07Å; E290-R293 WeakPolarHBondContact O-CB 3.29Å; E290-R293 PolarHBondContact O-N 3.29Å; E290-R293 VanDerWaalsContact O-N 3.14Å; R293-V295 PolarHBondContact O-N 3.36Å; R293-T296 VanDerWaalsContact CA-OG1 3.29Å; R293-T296 WeakPolarHBondContact CA-OG1 3.27Å; R293-T296 PolarHBondContact O-N 3.45Å; R293-T296 PolarHBondContact O-OG1 3.37Å; R293-E297 HydrophobicContact CG-CG 4.34Å; R293-E297 WeakPolarHBondContact CG-OE1 3.24Å; R293-E297 IonicContact CZ-OE1 2.68Å; R293-E297 IonicContact NE-OE1 3.35Å; R293-E297 PolarHBondContact NE-OE1 3.42Å; R293-E297 IonicContact NH2-OE1 3.68Å; R293-E297 PolarHBondContact NH2-OE1 3.46Å; R293-E297 WeakPolarHBondContact O-CB 3.44Å; R293-E297 VanDerWaalsContact O-CG 3.28Å; R293-E297 WeakPolarHBondContact O-CG 3.41Å; R293-E297 PolarHBondContact O-N 3.3Å
294R81.3Confident77Confident142 Ų142112.4 Ų112.454%0.53659%0.588SS.*Hα-helixtrans-62.3-42.4175.6-66.2-65.2-174.6133.66.8112E290 A291 L292 E297 N298E290-R294 HydrophobicContact CG-CG 4.46Å; E290-R294 VanDerWaalsContact O-CG 3.28Å; E290-R294 WeakPolarHBondContact O-CG 3.36Å; E290-R294 PolarHBondContact O-N 2.9Å; E290-R294 IonicContact OE1-CZ 2.82Å; E290-R294 IonicContact OE1-NE 2.75Å; E290-R294 IonicContact OE1-NH2 3.51Å; E290-R294 PolarHBondContact OE1-NH2 3.22Å; A291-R294 PolarHBondContact O-N 3.09Å; L292-R294 VanDerWaalsContact C-N 3.34Å; L292-R294 PolarHBondContact O-N 3.46Å; R294-E297 PolarHBondContact O-N 2.87Å; R294-N298 WeakPolarHBondContact O-CB 3.39Å; R294-N298 PolarHBondContact O-N 3.5Å; R294-N298 PolarHBondContact O-ND2 3.07Å; R294-N298 VanDerWaalsContact O-ND2 3.14Å
295V78.2Confident74.7Confident81 Ų81116.2 Ų116.249%0.49160%0.599SS.*Hα-helixtrans-63-44.4175171.70000110.3A291 L292 R293 N298 L299A291-V295 WeakPolarHBondContact O-CG2 3.31Å; A291-V295 PolarHBondContact O-N 2.95Å; L292-V295 PolarHBondContact O-N 2.96Å; R293-V295 PolarHBondContact O-N 3.36Å; V295-N298 PolarHBondContact O-N 3.37Å; V295-L299 HydrophobicContact CG1-CD1 4Å; V295-L299 HydrophobicContact CG1-CG 4.47Å; V295-L299 VanDerWaalsContact O-CG 3.3Å; V295-L299 WeakPolarHBondContact O-CG 3.44Å; V295-L299 PolarHBondContact O-N 3.16Å
296T79.3Confident72.4Confident80 Ų80111.6 Ų111.649%0.49160%0.603SS.*Hα-helixtrans-67.1-36.7177.556.90000113L292 R293 L299 A300L292-T296 WeakPolarHBondContact O-CG2 3.35Å; L292-T296 PolarHBondContact O-N 2.91Å; L292-T296 PolarHBondContact O-OG1 3.27Å; R293-T296 VanDerWaalsContact CA-OG1 3.29Å; R293-T296 WeakPolarHBondContact CA-OG1 3.27Å; R293-T296 PolarHBondContact O-N 3.45Å; R293-T296 PolarHBondContact O-OG1 3.37Å; T296-L299 PolarHBondContact O-N 2.72Å; T296-A300 VanDerWaalsContact O-CB 3.22Å; T296-A300 WeakPolarHBondContact O-CB 3.35Å; T296-A300 PolarHBondContact O-N 3.23Å
297E73.9Confident70.3Confident83 Ų83117.6 Ų117.639%0.38863%0.626SS.*Hα-helixtrans-65.7-39.8175.3-76172.1177.100110.8R293 R294 A300 S301R293-E297 HydrophobicContact CG-CG 4.34Å; R293-E297 WeakPolarHBondContact CG-OE1 3.24Å; R293-E297 IonicContact CZ-OE1 2.68Å; R293-E297 IonicContact NE-OE1 3.35Å; R293-E297 PolarHBondContact NE-OE1 3.42Å; R293-E297 IonicContact NH2-OE1 3.68Å; R293-E297 PolarHBondContact NH2-OE1 3.46Å; R293-E297 WeakPolarHBondContact O-CB 3.44Å; R293-E297 VanDerWaalsContact O-CG 3.28Å; R293-E297 WeakPolarHBondContact O-CG 3.41Å; R293-E297 PolarHBondContact O-N 3.3Å; R294-E297 PolarHBondContact O-N 2.87Å; E297-A300 PolarHBondContact O-N 3.41Å; E297-S301 PolarHBondContact O-N 2.93Å; E297-S301 VanDerWaalsContact O-N 3.14Å; E297-S301 PolarHBondContact O-OG 3.35Å
298N63.3Low68.3Low117 Ų117114.1 Ų114.163%0.62662%0.621SS**Hα-helixtrans-67.9-32174.4-68.1-24000113R294 V295 S301R294-N298 WeakPolarHBondContact O-CB 3.39Å; R294-N298 PolarHBondContact O-N 3.5Å; R294-N298 PolarHBondContact O-ND2 3.07Å; R294-N298 VanDerWaalsContact O-ND2 3.14Å; V295-N298 PolarHBondContact O-N 3.37Å; N298-S301 PolarHBondContact O-OG 3.48Å
299L65.6Low66.5Low129 Ų129113 Ų11368%0.67563%0.629SS**Hα-helixtrans-80.4-30.8176.3-70.1175.7000112.7V295 T296V295-L299 HydrophobicContact CG1-CD1 4Å; V295-L299 HydrophobicContact CG1-CG 4.47Å; V295-L299 VanDerWaalsContact O-CG 3.3Å; V295-L299 WeakPolarHBondContact O-CG 3.44Å; V295-L299 PolarHBondContact O-N 3.16Å; T296-L299 PolarHBondContact O-N 2.72Å
300A58.9Low64.9Low83 Ų83110.4 Ų110.469%0.68663%0.632SS**Hα-helixtrans-79.2-1917800000113.1T296 E297 L302T296-A300 VanDerWaalsContact O-CB 3.22Å; T296-A300 WeakPolarHBondContact O-CB 3.35Å; T296-A300 PolarHBondContact O-N 3.23Å; E297-A300 PolarHBondContact O-N 3.41Å; A300-L302 PolarHBondContact O-N 3.07Å; A300-L302 VanDerWaalsContact O-N 3.1Å
301S53.1Low63.6Low64 Ų64108.6 Ų108.645%0.44863%0.625SS.*  trans-83.575.9175.667.80000112.1E297 N298 T303E297-S301 PolarHBondContact O-N 2.93Å; E297-S301 VanDerWaalsContact O-N 3.14Å; E297-S301 PolarHBondContact O-OG 3.35Å; N298-S301 PolarHBondContact O-OG 3.48Å; S301-T303 PolarHBondContact O-N 3.44Å
302L49.9Very low62.8Low164 Ų164110.2 Ų110.286%0.85963%0.629SS**  trans-73.532.9167.9-72.5170000113.1A300A300-L302 PolarHBondContact O-N 3.07Å; A300-L302 VanDerWaalsContact O-N 3.1Å
303T50.1Low62.1Low95 Ų95110 Ų11058%0.58363%0.634SS**SBendtrans-128.9121.417550.30000110.2S301 K305S301-T303 PolarHBondContact O-N 3.44Å; T303-K305 VanDerWaalsContact C-N 3.3Å; T303-K305 PolarHBondContact O-N 3.1Å
304P46.9Very low61.4Low135 Ų135103.7 Ų103.788%0.87762%0.616SS**  trans-78.183.6179.732.4-32.2000108.5
305K46.8Very low61Low190 Ų190100.4 Ų100.483%0.82661%0.608SS**  trans-109.295.8166.5-74-174.9177.7178.90108.8T303T303-K305 VanDerWaalsContact C-N 3.3Å; T303-K305 PolarHBondContact O-N 3.1Å
306G47Very low60.7Low68 Ų68100.3 Ų100.370%0.70160%0.603SS**SBendtrans64.7104.2152.300000117.1
307L50.6Low60.3Low181 Ų181100.9 Ų100.995%0.94860%0.596SS**  trans37.790.6147.6-61169.2000115.9
308S52.3Low60.4Low80 Ų8099.2 Ų99.256%0.55959%0.589SS**  trans-53.4142.3178.355.60000115.2A310S308-A310 PolarHBondContact O-N 3.21Å; S308-A310 VanDerWaalsContact O-N 3.13Å
309P55Low60.9Low123 Ų12396.7 Ų96.780%0.79958%0.578SS**SBendtrans-79.922.1171.634.7-34.6000113.6L311P309-L311 PolarHBondContact O-N 3.19Å
310A60.3Low61.1Low85 Ų8595.9 Ų95.970%0.70257%0.574SS**  trans-89.911.6-173.400000114.8S308S308-A310 PolarHBondContact O-N 3.21Å; S308-A310 VanDerWaalsContact O-N 3.13Å
311L62.7Low61.5Low65 Ų6598 Ų9834%0.3457%0.565SS.*SBendtrans-97.2138.3179.1-60.3172.2000109.6P309 L315 Q316 V319P309-L311 PolarHBondContact O-N 3.19Å; L311-L315 HydrophobicContact CB-CB 4.32Å; L311-L315 HydrophobicContact CB-CD2 4.23Å; L311-L315 HydrophobicContact CB-CG 4.48Å; L311-L315 HydrophobicContact CD2-CD2 3.39Å; L311-L315 HydrophobicContact CD2-CG 4.1Å; L311-L315 HydrophobicContact CG-CD2 4.35Å; L311-Q316 HydrophobicContact CB-CG 3.5Å; L311-Q316 HydrophobicContact CD1-CG 4.44Å; L311-Q316 WeakPolarHBondContact O-CG 3.41Å; L311-Q316 PolarHBondContact O-NE2 2.87Å; L311-V319 HydrophobicContact CD1-CG2 4.44Å
312T70.6Confident61.9Low88 Ų8899 Ų9954%0.5457%0.568SS.*  trans-58.4152.1172.558.10000110.2A314 L315 Q316T312-A314 PolarHBondContact O-N 3.18Å; T312-L315 WeakPolarHBondContact O-CA 3.4Å; T312-L315 PolarHBondContact O-N 3.03Å; T312-L315 VanDerWaalsContact OG1-CB 3.28Å; T312-L315 WeakPolarHBondContact OG1-CB 3.32Å; T312-L315 PolarHBondContact OG1-N 3.41Å; T312-Q316 PolarHBondContact O-N 3.3Å
313P71.6Confident62.3Low97 Ų9795.6 Ų95.663%0.6356%0.558SS**Hα-helixtrans-54.4-32-177.6-26.433.4000113.9R317P313-R317 VanDerWaalsContact O-CG 3.31Å; P313-R317 WeakPolarHBondContact O-CG 3.25Å; P313-R317 PolarHBondContact O-N 3.45Å
314A71.3Confident62.6Low28 Ų2894.7 Ų94.723%0.23156%0.556CS.*Hα-helixtrans-70.7-40.4174.700000112.4T312 R317 L318T312-A314 PolarHBondContact O-N 3.18Å; A314-R317 PolarHBondContact O-N 3.45Å; A314-L318 PolarHBondContact O-N 3.42Å
315L72.7Confident62.9Low72 Ų7295.6 Ų95.638%0.37755%0.546SS..Hα-helixtrans-74-37.6-179.9-164.771.7000111.9L311 T312 R317 L318 V319L311-L315 HydrophobicContact CB-CB 4.32Å; L311-L315 HydrophobicContact CB-CD2 4.23Å; L311-L315 HydrophobicContact CB-CG 4.48Å; L311-L315 HydrophobicContact CD2-CD2 3.39Å; L311-L315 HydrophobicContact CD2-CG 4.1Å; L311-L315 HydrophobicContact CG-CD2 4.35Å; T312-L315 WeakPolarHBondContact O-CA 3.4Å; T312-L315 PolarHBondContact O-N 3.03Å; T312-L315 VanDerWaalsContact OG1-CB 3.28Å; T312-L315 WeakPolarHBondContact OG1-CB 3.32Å; T312-L315 PolarHBondContact OG1-N 3.41Å; L315-R317 PolarHBondContact O-N 2.92Å; L315-L318 HydrophobicContact CD1-CD2 4.2Å; L315-L318 PolarHBondContact O-N 3.16Å; L315-V319 VanDerWaalsContact O-CG2 3.32Å; L315-V319 WeakPolarHBondContact O-CG2 3.44Å; L315-V319 PolarHBondContact O-N 3.3Å
316Q71.9Confident63Low79 Ų7997.8 Ų97.837%0.36955%0.551SS.*Hα-helixtrans-56-42.4169.8-69.7-178.48.900111.1L311 T312 N320L311-Q316 HydrophobicContact CB-CG 3.5Å; L311-Q316 HydrophobicContact CD1-CG 4.44Å; L311-Q316 WeakPolarHBondContact O-CG 3.41Å; L311-Q316 PolarHBondContact O-NE2 2.87Å; T312-Q316 PolarHBondContact O-N 3.3Å; Q316-N320 VanDerWaalsContact O-CB 3.28Å; Q316-N320 WeakPolarHBondContact O-CB 3.48Å; Q316-N320 PolarHBondContact O-N 3.22Å; Q316-N320 PolarHBondContact O-ND2 2.77Å
317R72.6Confident63.5Low93 Ų9399.7 Ų99.735%0.35155%0.549SS..Hα-helixtrans-72.8-36.9178.8-73.4174.7176.4178.6-1112.9P313 A314 L315 R321 Q382P313-R317 VanDerWaalsContact O-CG 3.31Å; P313-R317 WeakPolarHBondContact O-CG 3.25Å; P313-R317 PolarHBondContact O-N 3.45Å; A314-R317 PolarHBondContact O-N 3.45Å; L315-R317 PolarHBondContact O-N 2.92Å; R317-R321 VanDerWaalsContact O-CB 3.25Å; R317-R321 WeakPolarHBondContact O-CB 3.4Å; R317-R321 WeakPolarHBondContact O-CG 3.42Å; R317-R321 PolarHBondContact O-N 3.23Å; R317-Q382 VanDerWaalsContact CZ-CD 3.47Å; R317-Q382 VanDerWaalsContact NH1-CG 3.3Å; R317-Q382 VanDerWaalsContact NH1-NE2 3.14Å; R317-Q382 VanDerWaalsContact NH2-CD 3.3Å
318L76.1Confident63.6Low48 Ų4895.3 Ų95.325%0.25153%0.526SS..Hα-helixtrans-60-51.1173.3-172.185.6000110.3A314 L315 N320 R321 T322 L376 L380A314-L318 PolarHBondContact O-N 3.42Å; L315-L318 HydrophobicContact CD1-CD2 4.2Å; L315-L318 PolarHBondContact O-N 3.16Å; L318-N320 PolarHBondContact O-N 3.28Å; L318-R321 CarbonylContact O-C 3.37Å; L318-R321 PolarHBondContact O-N 3.03Å; L318-R321 VanDerWaalsContact O-N 3.07Å; L318-T322 HydrophobicContact CG-CG2 4.32Å; L318-T322 WeakPolarHBondContact O-CG2 3.26Å; L318-T322 PolarHBondContact O-N 2.8Å; L318-T322 PolarHBondContact O-OG1 2.77Å; L318-L376 HydrophobicContact CD1-CD2 4.41Å; L318-L376 HydrophobicContact CD1-CG 4.29Å; L318-L380 HydrophobicContact CB-CD2 4.38Å; L318-L380 HydrophobicContact CD1-CD1 4.23Å; L318-L380 HydrophobicContact CD1-CD2 4.09Å
319V72.9Confident63.9Low64 Ų6499.4 Ų99.439%0.38853%0.534SS..Hα-helixtrans-63.6-40.1-179.8174.40000111.6L311 L315 R321 T322 S323L311-V319 HydrophobicContact CD1-CG2 4.44Å; L315-V319 VanDerWaalsContact O-CG2 3.32Å; L315-V319 WeakPolarHBondContact O-CG2 3.44Å; L315-V319 PolarHBondContact O-N 3.3Å; V319-R321 VanDerWaalsContact C-N 3.29Å; V319-R321 PolarHBondContact O-N 3.2Å; V319-T322 PolarHBondContact O-N 3.08Å; V319-T322 PolarHBondContact O-OG1 2.79Å; V319-S323 VanDerWaalsContact O-CB 3.26Å; V319-S323 WeakPolarHBondContact O-CB 3.34Å; V319-S323 PolarHBondContact O-N 3.21Å; V319-S323 PolarHBondContact O-OG 3.47Å
320N69.6Low64.1Low112 Ų11297 Ų9760%0.59953%0.525SS*.Hα-helixtrans-69.8-25.4174.9-68.7-17.5000113Q316 L318 S323Q316-N320 VanDerWaalsContact O-CB 3.28Å; Q316-N320 WeakPolarHBondContact O-CB 3.48Å; Q316-N320 PolarHBondContact O-N 3.22Å; Q316-N320 PolarHBondContact O-ND2 2.77Å; L318-N320 PolarHBondContact O-N 3.28Å; N320-S323 PolarHBondContact O-OG 2.87Å
321R67.8Low64Low127 Ų12797.9 Ų97.948%0.47952%0.517SS..Hα-helixtrans-81.8-33.2174-75.7177.572.8-175-1.8112.1R317 L318 V319R317-R321 VanDerWaalsContact O-CB 3.25Å; R317-R321 WeakPolarHBondContact O-CB 3.4Å; R317-R321 WeakPolarHBondContact O-CG 3.42Å; R317-R321 PolarHBondContact O-N 3.23Å; L318-R321 CarbonylContact O-C 3.37Å; L318-R321 PolarHBondContact O-N 3.03Å; L318-R321 VanDerWaalsContact O-N 3.07Å; V319-R321 VanDerWaalsContact C-N 3.29Å; V319-R321 PolarHBondContact O-N 3.2Å
322T61.7Low63.9Low84 Ų84104.7 Ų104.752%0.51554%0.538SS..Hα-helixtrans-86-18.9-179.564.60000113.2L318 V319 S324L318-T322 HydrophobicContact CG-CG2 4.32Å; L318-T322 WeakPolarHBondContact O-CG2 3.26Å; L318-T322 PolarHBondContact O-N 2.8Å; L318-T322 PolarHBondContact O-OG1 2.77Å; V319-T322 PolarHBondContact O-N 3.08Å; V319-T322 PolarHBondContact O-OG1 2.79Å; T322-S324 PolarHBondContact O-N 2.8Å
323S58Low63.2Low93 Ų93104.5 Ų104.565%0.6555%0.546SS*.SBendtrans-74.6-5179.269.50000114.5V319 N320V319-S323 VanDerWaalsContact O-CB 3.26Å; V319-S323 WeakPolarHBondContact O-CB 3.34Å; V319-S323 PolarHBondContact O-N 3.21Å; V319-S323 PolarHBondContact O-OG 3.47Å; N320-S323 PolarHBondContact O-OG 2.87Å
324S55.9Low62.3Low77 Ų77103.7 Ų103.754%0.53854%0.543SS..SBendtrans-113.194176.2-168.10000111.6T322T322-S324 PolarHBondContact O-N 2.8Å
325K54.3Low61.5Low153 Ų153111.2 Ų111.267%0.66557%0.566SS**  trans70.971.6148.2-49.7-179.6-168-1780117.4
326Y48.7Very low60.6Low237 Ų237113.5 Ų113.593%0.92958%0.583SS**  trans-92.148.3142.1-110.3-88.3000109.9
327T56.1Low59.5Low108 Ų108115.9 Ų115.966%0.66361%0.605SS**SBendtrans-100.7113.216453.30000106.7K329T327-K329 PolarHBondContact O-N 3.06Å
328D53.2Low57.9Low89 Ų89116.4 Ų116.448%0.47662%0.624SS.*  trans-60.793.3-175.5-162.3-29.4000110.8A330 L331 R332D328-A330 PolarHBondContact O-N 2.99Å; D328-A330 WeakPolarHBondContact OD1-CB 3.39Å; D328-A330 PolarHBondContact OD1-N 3.05Å; D328-A330 VanDerWaalsContact OD1-N 3.13Å; D328-L331 HydrophobicContact CB-CB 3.99Å; D328-L331 HydrophobicContact CB-CD1 3.91Å; D328-L331 HydrophobicContact CB-CG 4.08Å; D328-L331 PolarHBondContact OD1-N 3.01Å; D328-L331 WeakPolarHBondContact OD2-CD1 3.37Å; D328-L331 WeakPolarHBondContact OD2-CG 3.37Å; D328-R332 PolarHBondContact O-N 3.47Å; D328-R332 VanDerWaalsContact O-N 3.16Å
329K58.8Low56.5Low165 Ų165119.9 Ų119.972%0.71765%0.649SS**Hα-helixtrans-69.7-22.2178.6-118.2174176-171.80111.3T327 A333T327-K329 PolarHBondContact O-N 3.06Å; K329-A333 PolarHBondContact O-N 3.3Å
330A59.1Low54.9Low74 Ų74122.5 Ų122.561%0.61267%0.67SS**Hα-helixtrans-76-43.6176.500000110.7D328 R332 A333 S334D328-A330 PolarHBondContact O-N 2.99Å; D328-A330 WeakPolarHBondContact OD1-CB 3.39Å; D328-A330 PolarHBondContact OD1-N 3.05Å; D328-A330 VanDerWaalsContact OD1-N 3.13Å; A330-R332 VanDerWaalsContact C-N 3.31Å; A330-R332 PolarHBondContact O-N 3.09Å; A330-A333 PolarHBondContact O-N 3.18Å; A330-S334 PolarHBondContact O-N 3.12Å
331L58.2Low53.4Low103 Ų103125.8 Ų125.854%0.53968%0.681SS.*Hα-helixtrans-65.5-32172.9-70.8178.8000112.9D328 A333 S334 Y335D328-L331 HydrophobicContact CB-CB 3.99Å; D328-L331 HydrophobicContact CB-CD1 3.91Å; D328-L331 HydrophobicContact CB-CG 4.08Å; D328-L331 PolarHBondContact OD1-N 3.01Å; D328-L331 WeakPolarHBondContact OD2-CD1 3.37Å; D328-L331 WeakPolarHBondContact OD2-CG 3.37Å; L331-A333 VanDerWaalsContact C-N 3.31Å; L331-S334 PolarHBondContact O-N 3.3Å; L331-S334 PolarHBondContact O-OG 3.39Å; L331-Y335 VanDerWaalsContact O-CD2 3.26Å; L331-Y335 WeakPolarHBondContact O-CD2 3.39Å
332R59.9Low52.1Low207 Ų207131 Ų13178%0.78170%0.701SS**Hα-helixtrans-72.6-24.4175.6-164.6170.5178.1122.1-1.5113D328 A330D328-R332 PolarHBondContact O-N 3.47Å; D328-R332 VanDerWaalsContact O-N 3.16Å; A330-R332 VanDerWaalsContact C-N 3.31Å; A330-R332 PolarHBondContact O-N 3.09Å
333A56.2Low50.9Low84 Ų84133 Ų13369%0.69471%0.713SS**Hα-helixtrans-79-20.3177.700000113.1K329 A330 L331 Y335K329-A333 PolarHBondContact O-N 3.3Å; A330-A333 PolarHBondContact O-N 3.18Å; L331-A333 VanDerWaalsContact C-N 3.31Å; A333-Y335 VanDerWaalsContact C-N 3.35Å
334S54.3Low50.2Low81 Ų81134.2 Ų134.257%0.56672%0.717SS**SBendtrans-80.9-10.6173.9440000114.3A330 L331 T336A330-S334 PolarHBondContact O-N 3.12Å; L331-S334 PolarHBondContact O-N 3.3Å; L331-S334 PolarHBondContact O-OG 3.39Å; S334-T336 PolarHBondContact O-N 3.17Å
335Y54Low49.7Very low186 Ų186135.7 Ų135.773%0.72973%0.725SS**SBendtrans-89.296.2169.7-72.9-78.8000109.6L331 A333 P337L331-Y335 VanDerWaalsContact O-CD2 3.26Å; L331-Y335 WeakPolarHBondContact O-CD2 3.39Å; A333-Y335 VanDerWaalsContact C-N 3.35Å; Y335-P337 WeakPolarHBondContact O-CD 3.07Å
336T52.7Low48.7Very low119 Ų119133.7 Ų133.773%0.7373%0.729SS**  trans-5412116848.20000110.6S334 S338S334-T336 PolarHBondContact O-N 3.17Å; T336-S338 PolarHBondContact O-N 2.99Å; T336-S338 VanDerWaalsContact O-N 3.15Å
337P49.1Very low48.3Very low129 Ų129132.7 Ų132.784%0.83873%0.729SS**  trans-76.6101.3169.929.5-30000109Y335Y335-P337 WeakPolarHBondContact O-CD 3.07Å
338S40.4Very low47.7Very low105 Ų105133 Ų13373%0.73474%0.736SS**  trans-69.5147.8169.2-82.50000111.3T336T336-S338 PolarHBondContact O-N 2.99Å; T336-S338 VanDerWaalsContact O-N 3.15Å
339P45.8Very low47.8Very low121 Ų121134.2 Ų134.279%0.78675%0.748SS**  trans-83126.8-1635.212.9000111H341P339-H341 PolarHBondContact O-N 3.01Å
340S38.7Very low46.8Very low118 Ų118136 Ų13683%0.82576%0.756SS**  trans-70114.6171.4-175.50000110.1R342S340-R342 PolarHBondContact O-N 3.27Å
341H38.6Very low45.8Very low182 Ų182136.6 Ų136.684%0.84376%0.762SS**  trans-66.5105.6167.4-125.7-87.5000108.7P339P339-H341 PolarHBondContact O-N 3.01Å
342R40Very low44.9Very low235 Ų235135.1 Ų135.189%0.88777%0.771SS**  trans-139.6117.1154.3-131.6-179.7-155.4-129.54.5110.8S340S340-R342 PolarHBondContact O-N 3.27Å
343V36.8Very low44.4Very low126 Ų126131.5 Ų131.576%0.76477%0.774SS**  trans-59.5128.7-178.7178.40000110.5
344T43.4Very low43.5Very low119 Ų119132.3 Ų132.373%0.7378%0.781SS**  trans-76158.6162.7510000110.8
345P45.2Very low42.6Very low109 Ų109135.1 Ų135.171%0.70880%0.795SS**  -133.7132.1112.431.4-18.4000114
346C33.4Very low42.9Very low111 Ų111132 Ų13275%0.7580%0.798SS**  trans60.3109.5131.8-48.20000118.9
347K39.8Very low41.9Very low215 Ų215132.7 Ų132.794%0.93581%0.808SS**  -161.9137.2119.6-96.8161.9-165.1-1710109.5
348S43.4Very low41.1Very low115 Ų115129.9 Ų129.980%0.80480%0.802SS**  trans-88-167.3-16759.60000112.7
349P56.3Low40.7Very low114 Ų114131.3 Ų131.374%0.7481%0.806SS**  -128.1167-92.736.6-18.2000112.5
350F37.3Very low41Very low202 Ų202130.9 Ų130.989%0.88680%0.803SS**  trans-164.3129.4144.6-140-107.9000113.5
351A39.1Very low40.8Very low88 Ų88132 Ų13273%0.72781%0.805SS**  trans48.6123.6155.700000118.4
352G38.3Very low41.2Very low72 Ų72129 Ų12974%0.74280%0.802SS**  cis123.8142.444.800000107.5
353P50.1Low40.9Very low130 Ų130124.4 Ų124.484%0.84480%0.801SS**  trans-104.5161.8-148.638.1-30.9000114.3
354A36Very low41.1Very low102 Ų102128.5 Ų128.584%0.84381%0.808SS**  trans-157.4114.3150.600000111.9
355T37.1Very low40.7Very low139 Ų139127.8 Ų127.885%0.85381%0.814SS**  trans-95.8-169.8158.449.80000108.5
356P58.7Low40.5Very low120 Ų120132 Ų13278%0.77982%0.821SS**  -121.9164.3-100.432.7-12.5000112.8
357S32.3Very low40.5Very low135 Ų135133.1 Ų133.194%0.94483%0.825SS**  trans-168133.6158.6-165.70000113.2
358G33Very low40.5Very low69 Ų69128.3 Ų128.371%0.71182%0.815SS**  trans14498160.600000115.1
359T32.1Very low40.5Very low136 Ų136127.7 Ų127.783%0.83481%0.811SS**  trans-149.7156.6166.1-51.10000106.1
360P50.3Low39.9Very low111 Ų111127.2 Ų127.272%0.72181%0.811SS**  cis-128.4176.5-43.938.1-23.7000111.8
361T35.1Very low40.6Very low141 Ų141125.4 Ų125.487%0.86581%0.805SS**  trans-147.6150.2148.243.60000112.3
362P47.7Very low40.9Very low120 Ų120126.5 Ų126.578%0.77980%0.799SS**  trans-108136.4-160.736.7-24.7000113.6
363T34.3Very low41.7Very low139 Ų139130.8 Ų130.885%0.85380%0.804SS**  trans-133.6110166.245.30000111.8
364K40.5Very low42Very low212 Ų212130.5 Ų130.592%0.92280%0.8SS**  trans35.188.6156.7-70.3-179176.2177.30117K366K364-K366 PolarHBondContact O-N 3.45Å
365A34.7Very low43.3Very low103 Ų103127.6 Ų127.685%0.85177%0.773SS**  trans-66.7110.7159.500000110.1
366K41.8Very low44.6Very low197 Ų197126.1 Ų126.186%0.85776%0.76SS**  trans-68.8125.6151.2-127.4167.3-177.7171.60105.8K364 P368K364-K366 PolarHBondContact O-N 3.45Å; K366-P368 VanDerWaalsContact O-CD 3.24Å; K366-P368 WeakPolarHBondContact O-CD 3.2Å; K366-P368 VanDerWaalsContact O-N 3.11Å
367T33.3Very low45Very low135 Ų135125.3 Ų125.383%0.82875%0.753SS**  trans-48.4115.2175.1-0.30000109.8S369T367-S369 PolarHBondContact O-N 2.96Å
368P39.5Very low46.4Very low114 Ų114124.6 Ų124.674%0.7474%0.738SS**  trans-69.7122161.328.4-28.1000106.2K366 S370K366-P368 VanDerWaalsContact O-CD 3.24Å; K366-P368 WeakPolarHBondContact O-CD 3.2Å; K366-P368 VanDerWaalsContact O-N 3.11Å; P368-S370 PolarHBondContact O-N 3.45Å; P368-S370 VanDerWaalsContact O-N 3.13Å
369S43.6Very low47.9Very low102 Ų102126.7 Ų126.771%0.71373%0.733SS**  trans-53.8123.4166610000107.1T367 Q371T367-S369 PolarHBondContact O-N 2.96Å; S369-Q371 PolarHBondContact O-N 2.89Å
370S43.4Very low49.6Very low105 Ų105122.2 Ų122.273%0.73470%0.704SS**  trans-41109.5171.7-172.60000109.1P368 D372P368-S370 PolarHBondContact O-N 3.45Å; P368-S370 VanDerWaalsContact O-N 3.13Å; S370-D372 PolarHBondContact O-N 3.33Å
371Q50.9Low50.4Low163 Ų163123.1 Ų123.176%0.76270%0.702SS**  trans-76.2105.1165.7-74.7-177.2-18.200105.5S369 L373S369-Q371 PolarHBondContact O-N 2.89Å; Q371-L373 VanDerWaalsContact C-N 3.33Å; Q371-L373 PolarHBondContact O-N 2.8Å
372D46.6Very low51.7Low111 Ų111123.4 Ų123.459%0.59469%0.693SS**  trans-58.7101.8163.9-83.2-18.5000107.7S370 T374 S375S370-D372 PolarHBondContact O-N 3.33Å; D372-T374 PolarHBondContact O-N 3.14Å; D372-S375 PolarHBondContact O-N 2.73Å
373L54.7Low52.8Low162 Ų162124.1 Ų124.185%0.84869%0.69SS**THydrogen-bonded Turntrans-63.7-5.5178.8-62.7175.5000112.4Q371Q371-L373 VanDerWaalsContact C-N 3.33Å; Q371-L373 PolarHBondContact O-N 2.8Å
374T57.2Low54.6Low124 Ų124123 Ų12376%0.76169%0.685SS**THydrogen-bonded Turntrans-89.7-11.5175.257.40000113.1D372 L376D372-T374 PolarHBondContact O-N 3.14Å; T374-L376 PolarHBondContact O-N 3.38Å; T374-L376 VanDerWaalsContact O-N 3.13Å
375S63.4Low56Low42 Ų42122.7 Ų122.729%0.29468%0.684SS.*  trans-85.789.1-177.5-168.30000112D372 T377 D378D372-S375 PolarHBondContact O-N 2.73Å; S375-T377 VanDerWaalsContact C-N 3.32Å; S375-D378 WeakPolarHBondContact OG-CB 3.44Å
376L62.8Low57.5Low107 Ų107129 Ų12956%0.5669%0.685SS**SBendtrans-69.9-26.6179.8-16483.5000112.7L318 T374L318-L376 HydrophobicContact CD1-CD2 4.41Å; L318-L376 HydrophobicContact CD1-CG 4.29Å; T374-L376 PolarHBondContact O-N 3.38Å; T374-L376 VanDerWaalsContact O-N 3.13Å
377T67.9Low58.9Low103 Ų103128.8 Ų128.863%0.63268%0.679SS**SBendtrans-104.9-20.5-164.154.40000115.1S375 N379S375-T377 VanDerWaalsContact C-N 3.32Å; T377-N379 VanDerWaalsContact C-N 3.27Å; T377-N379 PolarHBondContact O-N 3.5Å
378D61.2Low60.9Low120 Ų120129.7 Ų129.764%0.64267%0.672SS**THydrogen-bonded Turntrans-77.10.1-159.4-167.835.5000116S375S375-D378 WeakPolarHBondContact OG-CB 3.44Å
379N64.8Low62.3Low114 Ų114127.7 Ų127.761%0.6167%0.665SS**THydrogen-bonded Turntrans-139.325.5-180-81.6-82.3000113.6T377T377-N379 VanDerWaalsContact C-N 3.27Å; T377-N379 PolarHBondContact O-N 3.5Å
380L68.6Low63.7Low41 Ų41126.8 Ų126.822%0.21566%0.659CS.*SBendtrans-78.7-22.9-178.5-63.7178000113.2L318L318-L380 HydrophobicContact CB-CD2 4.38Å; L318-L380 HydrophobicContact CD1-CD1 4.23Å; L318-L380 HydrophobicContact CD1-CD2 4.09Å
381L66.3Low65.1Low131 Ų131126.7 Ų126.769%0.68665%0.65SS**  trans-113.8106.1178.3-60.8174000109.2L383L381-L383 HydrophobicContact CB-CD2 4.42Å; L381-L383 HydrophobicContact CB-CG 4.25Å; L381-L383 PolarHBondContact O-N 3Å
382Q63.1Low66Low146 Ų146126 Ų12668%0.68265%0.645SS**  trans-74.876.6168.2-82.4175.2-7.900108.8R317R317-Q382 VanDerWaalsContact CZ-CD 3.47Å; R317-Q382 VanDerWaalsContact NH1-CG 3.3Å; R317-Q382 VanDerWaalsContact NH1-NE2 3.14Å; R317-Q382 VanDerWaalsContact NH2-CD 3.3Å
383L71.1Confident66.6Low136 Ų136132.5 Ų132.571%0.71267%0.668SS**  trans-66.4135.6170.2-61.4178.2000108.1L381 K385L381-L383 HydrophobicContact CB-CD2 4.42Å; L381-L383 HydrophobicContact CB-CG 4.25Å; L381-L383 PolarHBondContact O-N 3Å; L383-K385 PolarHBondContact O-N 3.16Å
384P70.5Confident67.2Low115 Ų115131 Ų13175%0.74766%0.659SS**  trans-55.1132.5173.422.3-30.9000108.4R386P384-R386 PolarHBondContact O-N 3.38Å
385K70.3Confident67.7Low205 Ų205131.4 Ų131.489%0.89165%0.654SS**  trans-52.9114.2-179.6-70.7-179.8-180177.80108L383 R387L383-K385 PolarHBondContact O-N 3.16Å; K385-R387 PolarHBondContact O-N 3.35Å
386R65.5Low68Low235 Ų235136.3 Ų136.389%0.88767%0.674SS**PPolyproline II helixtrans-56.9125.9171.8-80-175.5163.8177.1-4.7107.2P384 K388P384-R386 PolarHBondContact O-N 3.38Å; R386-K388 PolarHBondContact O-N 3.06Å
387R72.3Confident68.3Low193 Ų193138.1 Ų138.173%0.72868%0.68SS**PPolyproline II helixtrans-55.7131.8172.6-66.8-154.1-179.7-164.61.1108.1K385 F392K385-R387 PolarHBondContact O-N 3.35Å; R387-F392 HydrophobicContact CB-CE2 3.83Å; R387-F392 HydrophobicContact CB-CZ 4.46Å
388K75.9Confident68.3Low155 Ų155140.3 Ų140.367%0.67468%0.683SS**PPolyproline II helixtrans-78154.7-178.4-68.8-167.4175.7-171.20108.3R386 S390 D391R386-K388 PolarHBondContact O-N 3.06Å; K388-S390 WeakPolarHBondContact CB-OG 3.39Å; K388-S390 PolarHBondContact O-N 3.32Å; K388-S390 VanDerWaalsContact O-N 3.08Å; K388-D391 PolarHBondContact N-OD2 2.87Å; K388-D391 WeakPolarHBondContact O-CB 3.47Å; K388-D391 PolarHBondContact O-N 3.03Å
389A67.9Low68.8Low72 Ų72141.6 Ų141.660%0.59569%0.686SS**G310 helixtrans-56.5-25.517600000112.5D391 F392 F393A389-D391 PolarHBondContact O-N 3.49Å; A389-F392 PolarHBondContact O-N 2.95Å; A389-F392 VanDerWaalsContact O-N 3.13Å; A389-F393 WeakPolarHBondContact O-CD2 3.28Å
390S74.3Confident69Low83 Ų83143.6 Ų143.658%0.5869%0.691SS**G310 helixtrans-67-14.2172.560.10000115K388 F392K388-S390 WeakPolarHBondContact CB-OG 3.39Å; K388-S390 PolarHBondContact O-N 3.32Å; K388-S390 VanDerWaalsContact O-N 3.08Å; S390-F392 VanDerWaalsContact C-N 3.25Å
391D70.9Confident69.1Low102 Ų102151.5 Ų151.555%0.54573%0.728SS.*G310 helixtrans-84.4-5.6174-63.3-27.6000111.6K388 A389K388-D391 PolarHBondContact N-OD2 2.87Å; K388-D391 WeakPolarHBondContact O-CB 3.47Å; K388-D391 PolarHBondContact O-N 3.03Å; A389-D391 PolarHBondContact O-N 3.49Å
392F70.4Confident69.3Low149 Ų149153.2 Ų153.265%0.65473%0.732SS**  trans-116.5-1.2-176.9-70.1-81.3000113.8R387 A389 S390R387-F392 HydrophobicContact CB-CE2 3.83Å; R387-F392 HydrophobicContact CB-CZ 4.46Å; A389-F392 PolarHBondContact O-N 2.95Å; A389-F392 VanDerWaalsContact O-N 3.13Å; S390-F392 VanDerWaalsContact C-N 3.25Å
393F59.6Low69.9Low247 Ų247153.8 Ų153.8100%1.08374%0.736SS**  trans-126.30177.8-75.5-72.9000111.4A389A389-F393 WeakPolarHBondContact O-CD2 3.28Å

Retrieved 393 of 393 residues in 357.3 ms (Link to these results)