A0A077ZAS8_TRITR Loading...

Forkhead box protein O

AlphaFold DB , UniProt , Accession A0A077ZAS8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 609 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
1M46.2Very low46.6Very low238 Ų238135.9 Ų135.9100%1.17279%0.794SS**  0130.30-59.9158.375.700107.2
2S42.6Very low46.4Very low100 Ų100139.3 Ų139.370%0.69980%0.8SS**  cis-166.6135.7-15.9-72.70000107.7
3S45.5Very low45.6Very low117 Ų117142.7 Ų142.782%0.81881%0.812SS**  trans63.7152.7154.4-50.70000118.2
4S46.7Very low45.4Very low101 Ų101149.9 Ų149.971%0.70682%0.82SS**  cis-153.5151.4-12.7-104.90000107.3
5S50.4Low45.1Very low93 Ų93148.8 Ų148.865%0.6582%0.823SS**  48.3135.289-101.30000114.7
6Q51.1Low44.7Very low173 Ų173143.6 Ų143.681%0.80881%0.814SS**  cis-162.9164.313.7-145.4165.5-51.500112.9
7A51.8Low44.4Very low95 Ų95145.7 Ų145.779%0.78582%0.818SS**  trans33.7141.5151.400000122.2
8G46.6Very low44.1Very low68 Ų68143.7 Ų143.770%0.70181%0.81SS**  cis137.5166.4-2.100000113
9R42Very low44.1Very low244 Ų244144.3 Ų144.392%0.92181%0.809SS**  trans51.2115.4165.7-78.5-179.3170.9164.6-3.6116.2
10S46Very low43.8Very low98 Ų98143.7 Ų143.769%0.68580%0.8SS**  139.8154.968.8-1000000106.2
11E43.6Very low43.7Very low168 Ų168142.3 Ų142.379%0.78580%0.797SS**  cis-146.1-176.3-5.6-75.5-138.4115.700109.5
12M44.3Very low43.3Very low177 Ų177140.3 Ų140.387%0.87278%0.782SS**  trans70.299.3158.6-49.6-148.186.300118.5
13L36.8Very low43.3Very low183 Ų183138.8 Ų138.896%0.95878%0.776SS**  trans-88.6112.2176.7-80145000113.7
14R41.5Very low43.1Very low243 Ų243143.3 Ų143.392%0.91778%0.78SS**  trans-166.3125.4143.5-104.2-177.3179-151.2-1106.1
15P41.6Very low42.7Very low134 Ų134145 Ų14587%0.8778%0.782SS**  -142.6-165.560.741.5-24.2000113.6
16G39.1Very low42Very low65 Ų65148.9 Ų148.967%0.6779%0.787SS**  trans112.398.216300000114.8T18G16-T18 PolarHBondContact O-N 3.41Å
17M39.4Very low41.6Very low180 Ų180147.2 Ų147.289%0.88779%0.788SS**  trans-83.883.6164-75.7172.860.200109.4I19M17-I19 PolarHBondContact O-N 3.04Å
18T38.2Very low41.1Very low110 Ų110146.4 Ų146.468%0.67577%0.774SS**  trans-71106.3169.3-49.40000108.8G16 E20G16-T18 PolarHBondContact O-N 3.41Å; T18-E20 HydrophobicContact CG2-CG 4.01Å; T18-E20 PolarHBondContact O-N 3.21Å
19I44.6Very low40.7Very low154 Ų154148.5 Ų148.579%0.7978%0.776SS**  trans-79.881.9166.3-58.2-177.5000107.1M17M17-I19 PolarHBondContact O-N 3.04Å
20E38.2Very low40.7Very low133 Ų133144 Ų14462%0.62177%0.77SS**  trans-57.9140.4165.7-82.4-65.4122.500109.9T18 F22T18-E20 HydrophobicContact CG2-CG 4.01Å; T18-E20 PolarHBondContact O-N 3.21Å; E20-F22 PolarHBondContact O-N 3.35Å
21P41.7Very low40.4Very low114 Ų114145.3 Ų145.374%0.7477%0.774SS**  trans-70.398.6178.429.3-33.6000109.6A23P21-A23 PolarHBondContact O-N 3.48Å
22F37.6Very low40.3Very low196 Ų196142.2 Ų142.286%0.8677%0.771SS**  trans-59.2133.5-170.5-131.5-86.1000112.2E20E20-F22 PolarHBondContact O-N 3.35Å
23A43.7Very low40.3Very low69 Ų69139.9 Ų139.957%0.5777%0.766SS**  trans-44.5142.3-167.500000114.5P21 N25P21-A23 PolarHBondContact O-N 3.48Å; A23-N25 VanDerWaalsContact C-N 3.26Å; A23-N25 PolarHBondContact O-N 3.23Å
24K40.6Very low40.5Very low211 Ų211137 Ų13792%0.91776%0.759SS**  trans-62.385.8168.6-64.8172.7-177.9175.10109.3K26K24-K26 VanDerWaalsContact C-N 3.32Å; K24-K26 PolarHBondContact O-N 3.38Å
25N38.7Very low40.9Very low137 Ų137131.5 Ų131.573%0.73375%0.752SS**  trans-66.394.5176.9-89.23000109.5A23 V27A23-N25 VanDerWaalsContact C-N 3.26Å; A23-N25 PolarHBondContact O-N 3.23Å; N25-V27 VanDerWaalsContact C-N 3.32Å; N25-V27 PolarHBondContact O-N 3.08Å
26K34.7Very low41.2Very low175 Ų175133.1 Ų133.176%0.76175%0.747SS**  trans-58.888.3175-179.3-169.6174.1-174.50110K24 T28K24-K26 VanDerWaalsContact C-N 3.32Å; K24-K26 PolarHBondContact O-N 3.38Å; K26-T28 VanDerWaalsContact C-N 3.29Å; K26-T28 WeakPolarHBondContact CE-OG1 3.5Å; K26-T28 PolarHBondContact O-N 3.08Å
27V42.1Very low41.5Very low137 Ų137137.7 Ų137.783%0.8376%0.757SS**  trans-65.697.6159.2179.40000106.2N25 C29N25-V27 VanDerWaalsContact C-N 3.32Å; N25-V27 PolarHBondContact O-N 3.08Å; V27-C29 PolarHBondContact O-N 3.24Å; V27-C29 VanDerWaalsContact O-N 3.16Å
28T42.9Very low41.7Very low79 Ų79133.6 Ų133.649%0.48575%0.745SS.*  trans-66.8113.3177-59.70000108K26 N30K26-T28 VanDerWaalsContact C-N 3.29Å; K26-T28 WeakPolarHBondContact CE-OG1 3.5Å; K26-T28 PolarHBondContact O-N 3.08Å; T28-N30 WeakPolarHBondContact CG2-OD1 3.42Å; T28-N30 PolarHBondContact O-N 3.31Å
29C38.2Very low42.5Very low112 Ų112135.3 Ų135.376%0.75775%0.751SS**  trans-66.995.5165.938.80000108.8V27 V31V27-C29 PolarHBondContact O-N 3.24Å; V27-C29 VanDerWaalsContact O-N 3.16Å; C29-V31 VanDerWaalsContact C-N 3.33Å; C29-V31 PolarHBondContact O-N 3.47Å
30N40.8Very low42.7Very low149 Ų149135.5 Ų135.580%0.79775%0.753SS**  trans-69.690.6172.6-84.87.9000109.7T28T28-N30 WeakPolarHBondContact CG2-OD1 3.42Å; T28-N30 PolarHBondContact O-N 3.31Å
31V41.2Very low43.5Very low125 Ų125138.1 Ų138.176%0.75876%0.763SS**  trans-66.9150.3164.6-178.10000109.1C29C29-V31 VanDerWaalsContact C-N 3.33Å; C29-V31 PolarHBondContact O-N 3.47Å
32S40.8Very low44.7Very low103 Ų103139 Ų13972%0.7276%0.761SS**  trans8779.8172-47.90000117.8
33V44.7Very low46.2Very low128 Ų128135 Ų13578%0.77676%0.755SS**  -138.3120120.5-174.80000107.9V35V33-V35 HydrophobicContact CG1-CG2 4.19Å
34P41Very low47.2Very low123 Ų123139.3 Ų139.380%0.79976%0.763SS**  trans-79.8119.8166.931.4-29.7000109.2
35V49.7Very low48.5Very low127 Ų127135 Ų13577%0.7776%0.757SS**  trans-103.1147.4167.5-178.60000107.9V33 D37V33-V35 HydrophobicContact CG1-CG2 4.19Å; V35-D37 PolarHBondContact O-N 3.31Å
36H46.5Very low49.3Very low168 Ų168139.1 Ų139.178%0.77876%0.762SS**  trans-88.793.5-163.3-155.4-64.3000110.5S38H36-S38 PolarHBondContact O-N 3.09Å
37D46.6Very low50.2Low162 Ų162136.5 Ų136.587%0.86676%0.757SS**  trans-60.9125.3167-82-66.7000109.4V35V35-D37 PolarHBondContact O-N 3.31Å
38S43.5Very low50.7Low93 Ų93142.1 Ų142.165%0.6576%0.763SS**  trans-146.245.8-17970.80000112.2H36H36-S38 PolarHBondContact O-N 3.09Å
39D53.7Low51.3Low147 Ų147142.7 Ų142.779%0.78677%0.769SS**  trans-12073.8166.9-85.2-65.7000108.9F41D39-F41 VanDerWaalsContact C-N 3.33Å; D39-F41 PolarHBondContact O-N 2.97Å
40D49.2Very low51.7Low157 Ų157143.4 Ų143.484%0.8477%0.765SS**  trans-71.985.6175.6-165.5-86.3000109.6D42D40-D42 PolarHBondContact O-N 3.22Å
41F54.9Low52.3Low189 Ų189140.3 Ų140.383%0.82976%0.755SS**  trans-99.171-175.4-139.1-74.8000111.5D39D39-F41 VanDerWaalsContact C-N 3.33Å; D39-F41 PolarHBondContact O-N 2.97Å
42D68.4Low52.9Low131 Ų131145.3 Ų145.370%0.70176%0.761SS**  trans-47.5121.9-179.9-163.99.3000111.8D40 Q44D40-D42 PolarHBondContact O-N 3.22Å; D42-Q44 PolarHBondContact O-N 3.35Å
43P67.8Low53.5Low112 Ų112146.1 Ų146.173%0.72776%0.764SS**  trans-68.395.2-167.324.4-35.9000113.3
44Q65Low53.5Low161 Ų161146.8 Ų146.875%0.75276%0.762SS**  trans-50.5116.5-175.4-167.7-177.137.500112.9D42 R46D42-Q44 PolarHBondContact O-N 3.35Å; Q44-R46 PolarHBondContact O-N 3.05Å; Q44-R46 VanDerWaalsContact O-N 3.15Å
45P68.6Low53.5Low120 Ų120150.1 Ų150.178%0.77977%0.767SS**  trans-69.8114.1-17626.8-34000110.8
46R55.9Low53.4Low223 Ų223152.2 Ų152.284%0.84277%0.766SS**  trans-84.7124.3175.2-64.8-170.6-177.2-165.52.6110.9Q44 R48Q44-R46 PolarHBondContact O-N 3.05Å; Q44-R46 VanDerWaalsContact O-N 3.15Å; R46-R48 PolarHBondContact O-N 3.07Å
47D51.9Low52.7Low121 Ų121150.5 Ų150.565%0.64777%0.773SS**  trans-56.1137.4173.9-80.2-60.4000112.7C49 N50D47-C49 PolarHBondContact O-N 3.02Å; D47-N50 PolarHBondContact O-N 2.88Å; D47-N50 VanDerWaalsContact O-N 3.17Å
48R52.6Low52.4Low255 Ų255148.1 Ų148.196%0.96277%0.769SS**THydrogen-bonded Turntrans-68.11.1-169.1-148.1176.6-169168.95.2114.5R46R46-R48 PolarHBondContact O-N 3.07Å
49C55.9Low52.1Low91 Ų91155.8 Ų155.862%0.61578%0.783SS**THydrogen-bonded Turntrans-93.9-10.5177.554.80000114.3D47 S51D47-C49 PolarHBondContact O-N 3.02Å; C49-S51 VanDerWaalsContact C-N 3.3Å; C49-S51 PolarHBondContact O-N 3.32Å
50N46.1Very low51.6Low126 Ų126152 Ų15267%0.67478%0.779SS**  trans-91.425.4-168-65.5-16.2000114.7D47D47-N50 PolarHBondContact O-N 2.88Å; D47-N50 VanDerWaalsContact O-N 3.17Å
51S54.4Low51Low85 Ų85152 Ų15259%0.59478%0.779SS**SBendtrans-109.2136.7159.864.50000109.4C49C49-S51 VanDerWaalsContact C-N 3.3Å; C49-S51 PolarHBondContact O-N 3.32Å
52W53Low50.3Low230 Ų230153.1 Ų153.187%0.87178%0.784SS**SBendtrans71.2107.6-169.7-54.894.6000115.6L54W52-L54 VanDerWaalsContact C-N 3.34Å; W52-L54 PolarHBondContact O-N 2.87Å
53P53Low49Very low120 Ų120153.4 Ų153.478%0.77979%0.785SS**  trans-73.387.1170.331.1-33.7000110.4Q55P53-Q55 PolarHBondContact O-N 3.21Å
54L46.4Very low47.9Very low142 Ų142155.3 Ų155.374%0.74378%0.784SS**  trans-7479170.9-17273.1000109.7W52 K56W52-L54 VanDerWaalsContact C-N 3.34Å; W52-L54 PolarHBondContact O-N 2.87Å; L54-K56 PolarHBondContact O-N 2.75Å
55Q40.9Very low46.7Very low192 Ų192155.7 Ų155.790%0.89779%0.785SS**  trans-58.4103.3179.3-77.2-168.4-19.200111.3P53P53-Q55 PolarHBondContact O-N 3.21Å
56K46.5Very low45.3Very low171 Ų171156.5 Ų156.574%0.74379%0.788SS**  trans-95.2127.1163.4-68.5174.1177-68.20107.1L54 S58L54-K56 PolarHBondContact O-N 2.75Å; K56-S58 PolarHBondContact O-N 3.21Å
57S32.2Very low44.4Very low133 Ų133151.2 Ų151.293%0.9379%0.785SS**  trans-71.4124.1176.345.20000111
58S40.1Very low44.2Very low111 Ų111151.6 Ų151.678%0.77680%0.795SS**  trans-131.9131.2164.654.70000108.7K56K56-S58 PolarHBondContact O-N 3.21Å
59R38.5Very low43.5Very low254 Ų254146.8 Ų146.896%0.95879%0.787SS**  trans-50.9143-175-65166.7170.5144.7-6.6112.5
60G41.3Very low43Very low68 Ų68150.8 Ų150.870%0.70180%0.8SS**  trans176.358.2-178.800000112.8
61D38.2Very low42.7Very low156 Ų156151.4 Ų151.483%0.83480%0.799SS**  trans21104.8157.7-47.6-37.3000118.9
62F39.2Very low42.4Very low213 Ų213156.1 Ų156.193%0.93481%0.812SS**  trans-137133.9149-130.6-91.8000109.9
63L42.2Very low42Very low137 Ų137153.2 Ų153.272%0.71781%0.808SS**  trans-100.3141.6-172-83.6162.4000111.7
64H43.6Very low41.7Very low152 Ų152153.9 Ų153.970%0.70480%0.803SS**  trans67.5145175.1-40144.6000113.6
65H41.2Very low42.3Very low169 Ų169153 Ų15378%0.78281%0.806SS**  cis-130149.217.4-66.2-102.1000113.5
66T39.1Very low42.6Very low137 Ų137151.6 Ų151.684%0.8480%0.8SS**  trans-12.6124.3163.351.80000118.9
67S36.7Very low42.3Very low112 Ų112150.7 Ų150.778%0.78380%0.798SS**PPolyproline II helixtrans-95.9143.2149.5-63.90000109.8L69S67-L69 PolarHBondContact O-N 3.24Å
68P47.3Very low43.2Very low130 Ų130151.7 Ų151.784%0.84480%0.798SS**PPolyproline II helixtrans-74.9119.2177.429.6-33000111.1
69L38.8Very low43.3Very low154 Ų154151.6 Ų151.681%0.80680%0.798SS**PPolyproline II helixtrans-84.7117.9165.7-17972.6000108.2S67 H71S67-L69 PolarHBondContact O-N 3.24Å; L69-H71 HydrophobicContact CD2-CB 4.22Å; L69-H71 HydrophobicContact CG-CB 4.31Å; L69-H71 PolarHBondContact O-N 3.27Å
70I45.3Very low43.6Very low174 Ų174147 Ų14789%0.89279%0.792SS**  trans-86.7102.2162.68.4175.7000107.8
71H40Very low43.7Very low139 Ų139148.8 Ų148.864%0.64479%0.794SS**  trans-109.3112.4167.9176.363.5000106L69L69-H71 HydrophobicContact CD2-CB 4.22Å; L69-H71 HydrophobicContact CG-CB 4.31Å; L69-H71 PolarHBondContact O-N 3.27Å
72E48Very low43.8Very low185 Ų185145 Ų14586%0.86479%0.792SS**  trans-98.7147.9172.4-159.4169.1-163.700108.7
73E42.8Very low43.9Very low169 Ų169140.6 Ų140.679%0.7979%0.788SS**  trans-86.7145.7-143.2-59.7175.7129.300114.3
74I47.8Very low44Very low133 Ų133140.1 Ų140.168%0.68279%0.791SS**  trans-106.1111.8163.6-60.9174.7000107.1E76I74-E76 HydrophobicContact CG2-CG 4.43Å; I74-E76 PolarHBondContact O-N 3.41Å
75P58Low44.1Very low125 Ų125139.2 Ų139.281%0.81279%0.791SS**  trans-73.4119.6169.8-16.331.6000110.3
76E47.1Very low44.1Very low162 Ų162137.1 Ų137.176%0.75779%0.785SS**  trans-100.5156.1176.1-78.9-156.5156.200112.9I74I74-E76 HydrophobicContact CG2-CG 4.43Å; I74-E76 PolarHBondContact O-N 3.41Å
77E40.1Very low44.4Very low152 Ų152138.2 Ų138.271%0.7179%0.785SS**  trans47.499.4160.1-58.2-49.793.700120.5
78V51.7Low44.8Very low153 Ų153136.5 Ų136.593%0.92778%0.778SS**  trans-141132.5131.5-84.70000110.4
79S43Very low44.7Very low110 Ų110136.6 Ų136.677%0.76978%0.776SS**  trans-100.4135.7175.2-53.90000111.7
80D44.9Very low45.1Very low157 Ų157136.2 Ų136.284%0.8478%0.775SS**  trans-155.4-174.7143.7-153.7-3000111.7
81S43.3Very low45.1Very low106 Ų106136.7 Ų136.774%0.74177%0.773SS**  trans-130.1155.6-147.8-35.60000112.3
82G39.6Very low45Very low77 Ų77133.2 Ų133.279%0.79478%0.775SS**  trans113.3116.2174.800000112
83S41.7Very low44.7Very low120 Ų120130.5 Ų130.584%0.83977%0.773SS**  cis85.573.627-1540000115.8
84T44.5Very low44.7Very low127 Ų127129.7 Ų129.778%0.77978%0.779SS**  trans-156.3134.4142.943.50000105.8
85N44.7Very low44.4Very low133 Ų133131.9 Ų131.971%0.71179%0.786SS**  56.9134.468.8-62.122.8000111.2
86D42.8Very low43.6Very low125 Ų125131.7 Ų131.767%0.66879%0.788SS**  cis-163.5164.620.1-136.1-43.1000112.6
87L44.9Very low43.2Very low159 Ų159129.6 Ų129.683%0.83279%0.791SS**  trans61.5158.2161.2-56.2170.3000119.6
88A44.2Very low43.4Very low77 Ų77126.4 Ų126.464%0.63679%0.79SS**  cis-170.5179.3-28.700000109.8
89V46.5Very low43.1Very low132 Ų132128 Ų12880%0.879%0.788SS**  trans76.2128.3168.4-173.40000114.8
90N45.5Very low43.3Very low146 Ų146128.7 Ų128.778%0.78179%0.787SS**  cis-139.4161.19.4-140.8-14.9000114.1
91H46.2Very low43.3Very low184 Ų184129 Ų12985%0.85279%0.788SS**  trans-94.6167177.3-62.8-96.3000111.6
92G37.4Very low43.3Very low66 Ų66128.6 Ų128.668%0.6879%0.791SS**  cis169.3179.5-3.400000111.6
93P42.2Very low43.4Very low128 Ų128130.8 Ų130.883%0.83179%0.794SS**  trans-105.2147.7-178.537.3-30.7000113.9
94V42.9Very low43.3Very low151 Ų151130 Ų13092%0.91579%0.794SS**  trans-141.7149.9170.7-81.40000113.3
95H40.6Very low43.6Very low179 Ų179133.2 Ų133.283%0.82980%0.803SS**  trans-59.3151.7-178.7-76-148.9000114.7
96S41.2Very low43.3Very low122 Ų122130.7 Ų130.785%0.85381%0.809SS**  -172.9153.5104.1-77.40000113.1
97S38.4Very low43.4Very low118 Ų118129.5 Ų129.583%0.82582%0.816SS**  trans-86.5156.6-179.2-45.90000112.6
98A46.1Very low43.2Very low84 Ų84128.5 Ų128.569%0.69482%0.817SS**  161.6139.5104.500000114.2
99E45.4Very low43Very low186 Ų186128.3 Ų128.387%0.86982%0.822SS**  trans64.2162.6160.8-29.8-151.3147.500116.8
100V46.5Very low43.2Very low125 Ų125129.3 Ų129.376%0.75882%0.821SS**  cis-135.2163.311.8-178.60000110.6
101L44.5Very low43.1Very low165 Ų165124.8 Ų124.886%0.86481%0.809SS**  trans-49.8143.2175.1-75.263.1000115.6
102A44.4Very low42.9Very low96 Ų96123.8 Ų123.879%0.79381%0.81SS**  trans-157.3121.6136.100000113.3
103S40.3Very low43.3Very low123 Ų123129.4 Ų129.486%0.8682%0.816SS**  trans25.8102.9154.3-56.10000120.7
104A41Very low43.7Very low103 Ų103127 Ų12785%0.85181%0.807SS**  trans-79121.5152.900000110.6
105M49Very low43.9Very low195 Ų195125.2 Ų125.296%0.96180%0.797SS**  trans-175.6137.6155.9-105.4164.985.400110.7
106G39.9Very low43.9Very low80 Ų80123.6 Ų123.683%0.82579%0.794SS**  trans92.968.2161.500000118
107A43.4Very low44.4Very low100 Ų100126.6 Ų126.683%0.82679%0.792SS**  trans-144.562.2164.900000112.4G109A107-G109 PolarHBondContact O-N 2.9Å
108T41.3Very low44.7Very low139 Ų139132.2 Ų132.285%0.85380%0.795SS**  trans-7562.416949.70000111.2I110T108-I110 PolarHBondContact O-N 3.23Å
109G41.1Very low45Very low72 Ų72132.3 Ų132.374%0.74279%0.787SS**  trans-71.489.3169.500000109.8A107 G111A107-G109 PolarHBondContact O-N 2.9Å; G109-G111 VanDerWaalsContact C-N 3.33Å; G109-G111 PolarHBondContact O-N 2.9Å
110I50.3Low45.2Very low153 Ų153128.4 Ų128.479%0.78578%0.78SS**  trans-68.796.7171.1-59.6176.2000106.8T108T108-I110 PolarHBondContact O-N 3.23Å
111G42.4Very low45.6Very low51 Ų51127.4 Ų127.453%0.52678%0.779SS.*  trans-58.7152.7-172.900000113.5G109 F113G109-G111 VanDerWaalsContact C-N 3.33Å; G109-G111 PolarHBondContact O-N 2.9Å; G111-F113 PolarHBondContact O-N 3.49Å
112D42.3Very low46.3Very low164 Ų164131 Ų13188%0.87778%0.781SS**  trans-53.6107.9-175.8-67-83000112.5A114D112-A114 PolarHBondContact O-N 2.99Å
113F46.4Very low47.9Very low184 Ų184133.8 Ų133.881%0.80777%0.771SS**  trans-71.970.4163.3-88.8-86.4000109.7G111 T115G111-F113 PolarHBondContact O-N 3.49Å; F113-T115 VanDerWaalsContact C-N 3.33Å; F113-T115 PolarHBondContact O-N 2.9Å
114A49.6Very low50.2Low77 Ų77131.3 Ų131.364%0.63675%0.748SS**  trans-55.297.6164.200000108.2D112 N116D112-A114 PolarHBondContact O-N 2.99Å; A114-N116 PolarHBondContact O-N 2.91Å
115T47.1Very low52.6Low113 Ų113129.9 Ų129.969%0.69374%0.736SS**  trans-76.575.9-173.139.80000110.4F113 K117F113-T115 VanDerWaalsContact C-N 3.33Å; F113-T115 PolarHBondContact O-N 2.9Å; T115-K117 PolarHBondContact O-N 2.91Å
116N40.6Very low54.7Low146 Ų146123 Ų12378%0.78170%0.699SS**  trans-67.951.4174.9-95.9-15.7000112.8A114 R118A114-N116 PolarHBondContact O-N 2.91Å; N116-R118 PolarHBondContact O-N 2.91Å
117K52.2Low57.3Low184 Ų184120.3 Ų120.380%0.867%0.672SS**SBendtrans-75.865.5167.6-74.2-168.2172.7-175.40110.5T115 T119T115-K117 PolarHBondContact O-N 2.91Å; K117-T119 VanDerWaalsContact C-N 3.3Å; K117-T119 PolarHBondContact O-N 2.83Å
118R45Very low59.7Low236 Ų236120.8 Ų120.889%0.89166%0.661SS**  trans42.348.9162.3-54-174.7-171.5-1772.9114.5N116 S120N116-R118 PolarHBondContact O-N 2.91Å; R118-S120 VanDerWaalsContact C-N 3.27Å; R118-S120 PolarHBondContact O-N 2.86Å
119T52.6Low62.2Low86 Ų86117 Ų11753%0.52864%0.635SS.*  trans-85.570.7178.6-178.40000111.5K117 R123K117-T119 VanDerWaalsContact C-N 3.3Å; K117-T119 PolarHBondContact O-N 2.83Å; T119-R123 PolarHBondContact O-NH2 3.17Å; T119-R123 VanDerWaalsContact O-NH2 3.13Å
120S49Very low64.8Low104 Ų104116 Ų11673%0.72762%0.616SS**  trans-149133.6175.1-1690000105.6R118R118-S120 VanDerWaalsContact C-N 3.27Å; R118-S120 PolarHBondContact O-N 2.86Å
121S56.1Low67Low105 Ų105110.4 Ų110.473%0.73459%0.586SS**SBend-136.3-8.759.2172.60000116.2
122R58.2Low69.6Low240 Ų240108.2 Ų108.291%0.90656%0.563SS**  trans-133.8104.5179.6-61.3-171.1-172.2-146.6-0.1110.8
123R77.9Confident72.2Confident155 Ų155103.4 Ų103.459%0.58554%0.537SS*.  trans-86.7153165.1-63.8177.1179.2163.14.1107.9T119 N128T119-R123 PolarHBondContact O-NH2 3.17Å; T119-R123 VanDerWaalsContact O-NH2 3.13Å; R123-N128 WeakPolarHBondContact CD-OD1 3.48Å; R123-N128 WeakPolarHBondContact CG-OD1 3.14Å; R123-N128 PolarHBondContact NE-OD1 3.27Å
124N89.2Confident74.6Confident70 Ų7094.9 Ų94.937%0.37450%0.5SS..BIsolated β-bridgetrans-72.8161.7173-58.8-49000109.6W126 G127 L129N124-W126 HydrophobicContact CB-CD2 3.54Å; N124-W126 HydrophobicContact CB-CE3 3.93Å; N124-W126 HydrophobicContact CB-CG 4.07Å; N124-W126 HydrophobicContact CB-CH2 3.84Å; N124-W126 HydrophobicContact CB-CZ2 3.46Å; N124-W126 VanDerWaalsContact CB-CZ2 3.46Å; N124-W126 HydrophobicContact CB-CZ3 4.06Å; N124-W126 WeakPolarHBondContact ND2-CZ2 3.39Å; N124-W126 PolarHBondContact O-N 2.86Å; N124-W126 VanDerWaalsContact O-N 3.16Å; N124-G127 WeakPolarHBondContact CB-O 3.4Å; N124-G127 PolarHBondContact N-O 3.44Å; N124-G127 WeakPolarHBondContact O-CA 3.38Å; N124-G127 PolarHBondContact O-N 3.41Å; N124-L129 PolarHBondContact ND2-O 3.15Å
125A91.5Very high76.9Confident73 Ų7391.2 Ų91.260%0.60347%0.47SS*.THydrogen-bonded Turntrans-60.9-24.7176.200000112.9Y162A125-Y162 HydrophobicContact CB-CD1 4.32Å; A125-Y162 HydrophobicContact CB-CD2 3.66Å; A125-Y162 HydrophobicContact CB-CE1 4.11Å; A125-Y162 HydrophobicContact CB-CE2 3.42Å; A125-Y162 VanDerWaalsContact CB-CE2 3.42Å; A125-Y162 HydrophobicContact CB-CG 4.12Å
126W93.2Very high79.3Confident50 Ų5086.6 Ų86.619%0.18944%0.441CS..THydrogen-bonded Turntrans-90.88.1171.761.183.2000114.5N124 L129 Y131 L134 V160 Y162 F163N124-W126 HydrophobicContact CB-CD2 3.54Å; N124-W126 HydrophobicContact CB-CE3 3.93Å; N124-W126 HydrophobicContact CB-CG 4.07Å; N124-W126 HydrophobicContact CB-CH2 3.84Å; N124-W126 HydrophobicContact CB-CZ2 3.46Å; N124-W126 VanDerWaalsContact CB-CZ2 3.46Å; N124-W126 HydrophobicContact CB-CZ3 4.06Å; N124-W126 WeakPolarHBondContact ND2-CZ2 3.39Å; N124-W126 PolarHBondContact O-N 2.86Å; N124-W126 VanDerWaalsContact O-N 3.16Å; W126-L129 PolarHBondContact NE1-O 2.86Å; W126-Y131 HydrophobicContact CH2-CD2 4.31Å; W126-Y131 AromaticContact CH2-CE1 3.97Å; W126-Y131 HydrophobicContact CH2-CE1 3.97Å; W126-Y131 AromaticContact CH2-CE2 3.49Å; W126-Y131 HydrophobicContact CH2-CE2 3.49Å; W126-Y131 VanDerWaalsContact CH2-CE2 3.49Å; W126-Y131 AromaticContact CH2-CZ 3.3Å; W126-Y131 VanDerWaalsContact CH2-OH 3.29Å; W126-Y131 WeakPolarHBondContact CH2-OH 3.45Å; W126-Y131 HydrophobicContact CZ2-CD1 4.26Å; W126-Y131 HydrophobicContact CZ2-CD2 4.06Å; W126-Y131 AromaticContact CZ2-CE1 3.92Å; W126-Y131 HydrophobicContact CZ2-CE1 3.92Å; W126-Y131 AromaticContact CZ2-CE2 3.69Å; W126-Y131 HydrophobicContact CZ2-CE2 3.69Å; W126-Y131 HydrophobicContact CZ2-CG 4.34Å; W126-Y131 AromaticContact CZ2-CZ 3.63Å; W126-Y131 HydrophobicContact CZ3-CE1 4.46Å; W126-Y131 HydrophobicContact CZ3-CE2 4.5Å; W126-Y131 AromaticContact CZ3-CZ 3.92Å; W126-Y131 WeakPolarHBondContact CZ3-OH 3.15Å; W126-L134 HydrophobicContact CG-CD1 4.26Å; W126-V160 HydrophobicContact CB-CG1 3.56Å; W126-V160 HydrophobicContact CG-CG1 4.47Å; W126-Y162 HydrophobicContact CB-CD1 4.24Å; W126-Y162 HydrophobicContact CB-CG 4.36Å; W126-Y162 AromaticContact CE3-CD1 3.86Å; W126-Y162 HydrophobicContact CE3-CD1 3.86Å; W126-Y162 AromaticContact CE3-CE1 3.95Å; W126-Y162 HydrophobicContact CE3-CE1 3.95Å; W126-Y162 HydrophobicContact CZ3-CE1 4.41Å; W126-F163 HydrophobicContact CB-CE2 4.41Å; W126-F163 HydrophobicContact CD2-CE2 4.28Å; W126-F163 HydrophobicContact CD2-CZ 4.13Å; W126-F163 HydrophobicContact CE3-CE2 4.3Å; W126-F163 AromaticContact CE3-CZ 3.73Å; W126-F163 HydrophobicContact CE3-CZ 3.73Å; W126-F163 HydrophobicContact CG-CE2 4.36Å; W126-F163 HydrophobicContact CZ3-CZ 4.18Å
127G93.4Very high82Confident25 Ų2583.7 Ų83.726%0.25842%0.423SS..BIsolated β-bridgetrans105.9-149.9174.800000115.7N124N124-G127 WeakPolarHBondContact CB-O 3.4Å; N124-G127 PolarHBondContact N-O 3.44Å; N124-G127 WeakPolarHBondContact O-CA 3.38Å; N124-G127 PolarHBondContact O-N 3.41Å
128N93.9Very high84.2Confident109 Ų10975 Ų7558%0.58339%0.385SS*.SBendtrans-83-9.3-169.6-65.1-63.2000115.1R123R123-N128 WeakPolarHBondContact CD-OD1 3.48Å; R123-N128 WeakPolarHBondContact CG-OD1 3.14Å; R123-N128 PolarHBondContact NE-OD1 3.27Å
129L94.1Very high86.7Confident61 Ų6163.7 Ų63.732%0.31934%0.343SS..  trans-87.4140.7-172-63173.4000111.3N124 W126 D133 L134N124-L129 PolarHBondContact ND2-O 3.15Å; W126-L129 PolarHBondContact NE1-O 2.86Å; L129-D133 HydrophobicContact CB-CB 4.18Å; L129-D133 HydrophobicContact CD2-CB 4.04Å; L129-L134 HydrophobicContact CB-CD2 4.06Å; L129-L134 HydrophobicContact CB-CG 4.09Å; L129-L134 HydrophobicContact CD1-CD2 3.66Å
130S95.3Very high88.8Confident49 Ų4964.1 Ų64.134%0.34334%0.341SS..  trans-72.9160.8166.9-172.50000110.5A132 D133 L134S130-A132 PolarHBondContact O-N 3.02Å; S130-D133 WeakPolarHBondContact CB-OD2 3.49Å; S130-D133 PolarHBondContact N-OD2 2.93Å; S130-D133 PolarHBondContact O-N 2.78Å; S130-L134 PolarHBondContact O-N 2.98Å
131Y97.6Very high91Very high37 Ų3762.7 Ų62.715%0.14533%0.331CS..Hα-helixtrans-54.3-39.8168.3-77.3-60.7000111.5W126 D133 L134 I135 F163 S178 I179 N182W126-Y131 HydrophobicContact CH2-CD2 4.31Å; W126-Y131 AromaticContact CH2-CE1 3.97Å; W126-Y131 HydrophobicContact CH2-CE1 3.97Å; W126-Y131 AromaticContact CH2-CE2 3.49Å; W126-Y131 HydrophobicContact CH2-CE2 3.49Å; W126-Y131 VanDerWaalsContact CH2-CE2 3.49Å; W126-Y131 AromaticContact CH2-CZ 3.3Å; W126-Y131 VanDerWaalsContact CH2-OH 3.29Å; W126-Y131 WeakPolarHBondContact CH2-OH 3.45Å; W126-Y131 HydrophobicContact CZ2-CD1 4.26Å; W126-Y131 HydrophobicContact CZ2-CD2 4.06Å; W126-Y131 AromaticContact CZ2-CE1 3.92Å; W126-Y131 HydrophobicContact CZ2-CE1 3.92Å; W126-Y131 AromaticContact CZ2-CE2 3.69Å; W126-Y131 HydrophobicContact CZ2-CE2 3.69Å; W126-Y131 HydrophobicContact CZ2-CG 4.34Å; W126-Y131 AromaticContact CZ2-CZ 3.63Å; W126-Y131 HydrophobicContact CZ3-CE1 4.46Å; W126-Y131 HydrophobicContact CZ3-CE2 4.5Å; W126-Y131 AromaticContact CZ3-CZ 3.92Å; W126-Y131 WeakPolarHBondContact CZ3-OH 3.15Å; Y131-D133 VanDerWaalsContact C-N 3.3Å; Y131-D133 PolarHBondContact O-N 3.03Å; Y131-L134 PolarHBondContact O-N 2.96Å; Y131-I135 WeakPolarHBondContact O-CB 3.41Å; Y131-I135 WeakPolarHBondContact O-CD1 3.36Å; Y131-I135 WeakPolarHBondContact O-CG1 3.27Å; Y131-I135 PolarHBondContact O-N 3.38Å; Y131-F163 HydrophobicContact CE1-CE2 4.46Å; Y131-F163 AromaticContact CE1-CZ 3.98Å; Y131-F163 HydrophobicContact CE1-CZ 3.98Å; Y131-S178 VanDerWaalsContact CE2-OG 3.27Å; Y131-S178 WeakPolarHBondContact CE2-OG 3.4Å; Y131-S178 PolarHBondContact OH-OG 3.19Å; Y131-I179 HydrophobicContact CD1-CD1 3.59Å; Y131-I179 HydrophobicContact CD1-CG1 4.48Å; Y131-I179 HydrophobicContact CE1-CD1 4.2Å; Y131-I179 HydrophobicContact CG-CD1 4.32Å; Y131-N182 WeakPolarHBondContact CB-OD1 3.45Å
132A96.8Very high93Very high5 Ų558 Ų584%0.04130%0.299CS..Hα-helixtrans-60.4-35.7173.900000113.2S130 T136 N182 F189S130-A132 PolarHBondContact O-N 3.02Å; A132-T136 WeakPolarHBondContact O-CB 3.18Å; A132-T136 PolarHBondContact O-N 2.78Å; A132-T136 PolarHBondContact O-OG1 2.72Å; A132-N182 PolarHBondContact N-OD1 2.85Å; A132-F189 HydrophobicContact CB-CE2 4.2Å; A132-F189 HydrophobicContact CB-CZ 4.32Å; A132-F189 WeakPolarHBondContact O-CZ 3.48Å
133D96.4Very high94.8Very high63 Ų6352.5 Ų52.534%0.33729%0.294SS..Hα-helixtrans-74.8-39.3178.9-54.7-50.4000111L129 S130 Y131 T136 Q137L129-D133 HydrophobicContact CB-CB 4.18Å; L129-D133 HydrophobicContact CD2-CB 4.04Å; S130-D133 WeakPolarHBondContact CB-OD2 3.49Å; S130-D133 PolarHBondContact N-OD2 2.93Å; S130-D133 PolarHBondContact O-N 2.78Å; Y131-D133 VanDerWaalsContact C-N 3.3Å; Y131-D133 PolarHBondContact O-N 3.03Å; D133-T136 WeakPolarHBondContact O-CB 3.5Å; D133-T136 PolarHBondContact O-N 3.03Å; D133-Q137 WeakPolarHBondContact O-CG 3.29Å; D133-Q137 PolarHBondContact O-N 2.78Å
134L97.4Very high95.6Very high5 Ų550.6 Ų50.63%0.02629%0.292CS..Hα-helixtrans-63.6-44.2173.5-67.2176.3000112.1W126 L129 S130 Y131 T136 Q137 A138 W155 M156 V160W126-L134 HydrophobicContact CG-CD1 4.26Å; L129-L134 HydrophobicContact CB-CD2 4.06Å; L129-L134 HydrophobicContact CB-CG 4.09Å; L129-L134 HydrophobicContact CD1-CD2 3.66Å; S130-L134 PolarHBondContact O-N 2.98Å; Y131-L134 PolarHBondContact O-N 2.96Å; L134-T136 VanDerWaalsContact C-N 3.29Å; L134-T136 PolarHBondContact O-N 3.32Å; L134-Q137 PolarHBondContact O-N 3.43Å; L134-A138 WeakPolarHBondContact O-CB 3.49Å; L134-A138 PolarHBondContact O-N 3.45Å; L134-W155 HydrophobicContact CB-CZ3 4.37Å; L134-W155 HydrophobicContact CD2-CZ3 4.38Å; L134-W155 WeakPolarHBondContact O-CZ3 3.4Å; L134-M156 HydrophobicContact CB-CE 3.54Å; L134-M156 HydrophobicContact CB-SD 3.8Å; L134-M156 HydrophobicContact CD1-SD 4Å; L134-M156 HydrophobicContact CG-SD 4.49Å; L134-V160 HydrophobicContact CD1-CG2 4.33Å; L134-V160 HydrophobicContact CD2-CG2 3.84Å
135I97.9Very high95.9Very high0 Ų052 Ų520%030%0.295CS..Hα-helixtrans-61.4-40.2173.8-67.6161.2000110.4Y131 A138 I139 I152 M156 I179 N182 L183 F189Y131-I135 WeakPolarHBondContact O-CB 3.41Å; Y131-I135 WeakPolarHBondContact O-CD1 3.36Å; Y131-I135 WeakPolarHBondContact O-CG1 3.27Å; Y131-I135 PolarHBondContact O-N 3.38Å; I135-A138 WeakPolarHBondContact O-CB 3.24Å; I135-A138 PolarHBondContact O-N 3.21Å; I135-I139 HydrophobicContact CG2-CD1 3.84Å; I135-I139 WeakPolarHBondContact O-CG1 3.32Å; I135-I139 PolarHBondContact O-N 3.13Å; I135-I152 HydrophobicContact CG1-CG2 4.26Å; I135-M156 HydrophobicContact CG1-CE 3.81Å; I135-I179 HydrophobicContact CD1-CD1 3.96Å; I135-I179 HydrophobicContact CD1-CG2 4.26Å; I135-I179 HydrophobicContact CG1-CD1 3.93Å; I135-I179 HydrophobicContact CG1-CG2 4.47Å; I135-N182 HydrophobicContact CD1-CB 3.64Å; I135-L183 HydrophobicContact CD1-CD2 4.38Å; I135-L183 HydrophobicContact CD1-CG 4.2Å; I135-L183 HydrophobicContact CG2-CD2 3.67Å; I135-F189 HydrophobicContact CB-CE1 4.25Å; I135-F189 HydrophobicContact CB-CE2 4.48Å; I135-F189 HydrophobicContact CB-CZ 3.92Å; I135-F189 HydrophobicContact CG2-CD1 3.99Å; I135-F189 HydrophobicContact CG2-CE1 3.54Å; I135-F189 HydrophobicContact CG2-CE2 4.14Å; I135-F189 HydrophobicContact CG2-CG 4.48Å; I135-F189 HydrophobicContact CG2-CZ 3.62Å
136T97Very high96.1Very high16 Ų1652.5 Ų52.510%0.09828%0.281CS..Hα-helixtrans-61.2-45.8175.3-58.20000110.9A132 D133 L134 L140 R188 I205A132-T136 WeakPolarHBondContact O-CB 3.18Å; A132-T136 PolarHBondContact O-N 2.78Å; A132-T136 PolarHBondContact O-OG1 2.72Å; D133-T136 WeakPolarHBondContact O-CB 3.5Å; D133-T136 PolarHBondContact O-N 3.03Å; L134-T136 VanDerWaalsContact C-N 3.29Å; L134-T136 PolarHBondContact O-N 3.32Å; T136-L140 HydrophobicContact CG2-CD1 3.88Å; T136-L140 HydrophobicContact CG2-CG 4.34Å; T136-L140 VanDerWaalsContact O-CB 3.32Å; T136-L140 WeakPolarHBondContact O-CB 3.49Å; T136-L140 VanDerWaalsContact O-CG 3.24Å; T136-L140 WeakPolarHBondContact O-CG 3.4Å; T136-L140 PolarHBondContact O-N 2.96Å; T136-R188 VanDerWaalsContact OG1-CZ 3.32Å; T136-R188 PolarHBondContact OG1-NH1 2.92Å; T136-I205 HydrophobicContact CG2-CD1 3.86Å
137Q97.4Very high96.3Very high85 Ų8551.1 Ų51.140%0.39728%0.277SS..Hα-helixtrans-64.4-39.5176.4-71175.513.800112.4D133 L134 L140 S141 W155D133-Q137 WeakPolarHBondContact O-CG 3.29Å; D133-Q137 PolarHBondContact O-N 2.78Å; L134-Q137 PolarHBondContact O-N 3.43Å; Q137-L140 PolarHBondContact O-N 2.96Å; Q137-S141 WeakPolarHBondContact O-CB 3.42Å; Q137-S141 PolarHBondContact O-N 2.78Å; Q137-W155 HydrophobicContact CB-CH2 3.67Å; Q137-W155 HydrophobicContact CB-CZ2 3.85Å
138A97.9Very high96.5Very high0 Ų050.6 Ų50.60%027%0.269CS..Hα-helixtrans-56.1-57174.600000111.4L134 I135 L140 S141 A142 L147 W155L134-A138 WeakPolarHBondContact O-CB 3.49Å; L134-A138 PolarHBondContact O-N 3.45Å; I135-A138 WeakPolarHBondContact O-CB 3.24Å; I135-A138 PolarHBondContact O-N 3.21Å; A138-L140 PolarHBondContact O-N 3.27Å; A138-S141 PolarHBondContact O-N 2.98Å; A138-S141 VanDerWaalsContact O-N 3.16Å; A138-S141 PolarHBondContact O-OG 3.38Å; A138-A142 PolarHBondContact O-N 3.07Å; A138-L147 HydrophobicContact CB-CD1 3.98Å; A138-L147 WeakPolarHBondContact O-CD1 3.19Å; A138-W155 VanDerWaalsContact CA-CE2 3.48Å; A138-W155 HydrophobicContact CB-CB 4.11Å; A138-W155 HydrophobicContact CB-CD2 3.45Å; A138-W155 VanDerWaalsContact CB-CD2 3.45Å; A138-W155 HydrophobicContact CB-CE3 3.64Å; A138-W155 HydrophobicContact CB-CG 3.65Å; A138-W155 HydrophobicContact CB-CZ3 4.27Å
139I97.6Very high96.7Very high0 Ų047.4 Ų47.40%025%0.252CS..Hα-helixtrans-65.3-37.8-177.8-62.8170.4000111.2I135 S141 A142 K145 I152 F189 W203 I205I135-I139 HydrophobicContact CG2-CD1 3.84Å; I135-I139 WeakPolarHBondContact O-CG1 3.32Å; I135-I139 PolarHBondContact O-N 3.13Å; I139-S141 VanDerWaalsContact C-N 3.33Å; I139-S141 PolarHBondContact O-N 2.86Å; I139-A142 WeakPolarHBondContact O-CB 3.44Å; I139-A142 PolarHBondContact O-N 3.38Å; I139-K145 WeakPolarHBondContact CG2-O 3.42Å; I139-I152 HydrophobicContact CD1-CD1 4.45Å; I139-I152 HydrophobicContact CG1-CD1 4.46Å; I139-F189 HydrophobicContact CD1-CD1 4.15Å; I139-F189 HydrophobicContact CD1-CE1 4.43Å; I139-W203 HydrophobicContact CD1-CB 4.32Å; I139-I205 HydrophobicContact CB-CD1 3.88Å; I139-I205 HydrophobicContact CB-CG1 4.1Å; I139-I205 HydrophobicContact CD1-CG1 4.26Å; I139-I205 HydrophobicContact CG2-CD1 3.83Å; I139-I205 HydrophobicContact CG2-CG1 3.87Å
140L96.5Very high96.7Very high95 Ų9547.6 Ų47.650%0.49726%0.258SS..Hα-helixtrans-67.8-28.1175.3-72.7178.2000113.7T136 Q137 A138 A142 K145 I205T136-L140 HydrophobicContact CG2-CD1 3.88Å; T136-L140 HydrophobicContact CG2-CG 4.34Å; T136-L140 VanDerWaalsContact O-CB 3.32Å; T136-L140 WeakPolarHBondContact O-CB 3.49Å; T136-L140 VanDerWaalsContact O-CG 3.24Å; T136-L140 WeakPolarHBondContact O-CG 3.4Å; T136-L140 PolarHBondContact O-N 2.96Å; Q137-L140 PolarHBondContact O-N 2.96Å; A138-L140 PolarHBondContact O-N 3.27Å; L140-A142 VanDerWaalsContact C-N 3.31Å; L140-K145 HydrophobicContact CD2-CD 4.47Å; L140-K145 PolarHBondContact O-NZ 2.91Å; L140-I205 HydrophobicContact CD2-CD1 3.84Å; L140-I205 HydrophobicContact CG-CD1 3.67Å
141S96.9Very high96.8Very high73 Ų7348.8 Ų48.851%0.5126%0.258SS..Hα-helixtrans-73.2-22.3176.876.30000113.3Q137 A138 I139 W155Q137-S141 WeakPolarHBondContact O-CB 3.42Å; Q137-S141 PolarHBondContact O-N 2.78Å; A138-S141 PolarHBondContact O-N 2.98Å; A138-S141 VanDerWaalsContact O-N 3.16Å; A138-S141 PolarHBondContact O-OG 3.38Å; I139-S141 VanDerWaalsContact C-N 3.33Å; I139-S141 PolarHBondContact O-N 2.86Å; S141-W155 PolarHBondContact OG-NE1 2.9Å
142A96.3Very high96.8Very high8 Ų847 Ų477%0.06625%0.251CS..SBendtrans-67.8143.4175.300000111.3A138 I139 L140 K145 L147A138-A142 PolarHBondContact O-N 3.07Å; I139-A142 WeakPolarHBondContact O-CB 3.44Å; I139-A142 PolarHBondContact O-N 3.38Å; L140-A142 VanDerWaalsContact C-N 3.31Å; A142-K145 WeakPolarHBondContact O-CD 3.37Å; A142-K145 PolarHBondContact O-N 3.4Å; A142-K145 PolarHBondContact O-NZ 2.98Å; A142-L147 HydrophobicContact CB-CD2 3.73Å; A142-L147 HydrophobicContact CB-CG 3.99Å
143P96.4Very high96.8Very high123 Ų12348.5 Ų48.580%0.79926%0.256SS*.THydrogen-bonded Turntrans-63.2-44.917524.3-31.8000111.2K145P143-K145 VanDerWaalsContact C-N 3.25Å; P143-K145 PolarHBondContact O-N 2.86Å
144E94.7Very high96.8Very high115 Ų11549.8 Ų49.854%0.53726%0.263SS..THydrogen-bonded Turntrans-79.32.6-178.1-56.3-172.5153.600114.5R146E144-R146 HydrophobicContact CB-CG 3.82Å; E144-R146 VanDerWaalsContact CD-NH2 3.31Å; E144-R146 PolarHBondContact O-N 3.16Å; E144-R146 IonicContact OE1-NH2 3.53Å; E144-R146 PolarHBondContact OE1-NH2 2.91Å; E144-R146 IonicContact OE2-CZ 3.21Å; E144-R146 IonicContact OE2-NE 2.79Å; E144-R146 PolarHBondContact OE2-NE 3.36Å; E144-R146 IonicContact OE2-NH2 3.18Å; E144-R146 PolarHBondContact OE2-NH2 3.31Å
145K95.9Very high96.8Very high101 Ų10151.1 Ų51.144%0.43927%0.268SS..SBendtrans51.427.4-175-50.6-58.5165.9-143.30115I139 L140 A142 P143I139-K145 WeakPolarHBondContact CG2-O 3.42Å; L140-K145 HydrophobicContact CD2-CD 4.47Å; L140-K145 PolarHBondContact O-NZ 2.91Å; A142-K145 WeakPolarHBondContact O-CD 3.37Å; A142-K145 PolarHBondContact O-N 3.4Å; A142-K145 PolarHBondContact O-NZ 2.98Å; P143-K145 VanDerWaalsContact C-N 3.25Å; P143-K145 PolarHBondContact O-N 2.86Å
146R96.3Very high96.7Very high83 Ų8351.1 Ų51.131%0.31327%0.268SS..EExtended strand (participates in β ladder)trans-138.9147.8174.665.6-176.6179-173.9-4.8110.2E144 W202 W203 V204E144-R146 HydrophobicContact CB-CG 3.82Å; E144-R146 VanDerWaalsContact CD-NH2 3.31Å; E144-R146 PolarHBondContact O-N 3.16Å; E144-R146 IonicContact OE1-NH2 3.53Å; E144-R146 PolarHBondContact OE1-NH2 2.91Å; E144-R146 IonicContact OE2-CZ 3.21Å; E144-R146 IonicContact OE2-NE 2.79Å; E144-R146 PolarHBondContact OE2-NE 3.36Å; E144-R146 IonicContact OE2-NH2 3.18Å; E144-R146 PolarHBondContact OE2-NH2 3.31Å; R146-W202 HydrophobicContact CB-CB 4.4Å; R146-W202 HydrophobicContact CB-CE3 4.12Å; R146-W202 HydrophobicContact CG-CD2 4.09Å; R146-W202 HydrophobicContact CG-CE3 3.73Å; R146-W202 HydrophobicContact CG-CZ3 4.16Å; R146-W203 WeakPolarHBondContact CA-O 3.36Å; R146-V204 HydrophobicContact CB-CG2 3.62Å
147L97.7Very high96.6Very high20 Ų2052 Ų5211%0.10527%0.272CS..EExtended strand (participates in β ladder)trans-141.3150.2172.8-71.2-178.8000110.4A138 A142 Q151 I152 W203A138-L147 HydrophobicContact CB-CD1 3.98Å; A138-L147 WeakPolarHBondContact O-CD1 3.19Å; A142-L147 HydrophobicContact CB-CD2 3.73Å; A142-L147 HydrophobicContact CB-CG 3.99Å; L147-Q151 HydrophobicContact CB-CB 4.15Å; L147-Q151 HydrophobicContact CD2-CB 3.94Å; L147-Q151 HydrophobicContact CG-CB 4.45Å; L147-I152 HydrophobicContact CB-CD1 4.42Å; L147-I152 HydrophobicContact CB-CG1 3.86Å; L147-I152 HydrophobicContact CD1-CG1 4.1Å; L147-W203 PolarHBondContact N-O 3.05Å; L147-W203 PolarHBondContact O-N 2.96Å
148T97.3Very high96.5Very high14 Ų1455.4 Ų55.49%0.08629%0.286CS..EExtended strand (participates in β ladder)trans-77163.9167.272.90000110.7S150 Q151 I152 W202T148-S150 PolarHBondContact O-N 2.88Å; T148-Q151 PolarHBondContact O-N 2.9Å; T148-Q151 VanDerWaalsContact O-N 3.14Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.46Å; T148-Q151 PolarHBondContact OG1-N 2.84Å; T148-I152 PolarHBondContact O-N 3.16Å; T148-I152 VanDerWaalsContact O-N 3.1Å; T148-W202 HydrophobicContact CG2-CD2 4.29Å; T148-W202 HydrophobicContact CG2-CE3 3.79Å; T148-W202 HydrophobicContact CG2-CH2 4.08Å; T148-W202 HydrophobicContact CG2-CZ3 3.68Å
149L97.2Very high96.4Very high43 Ų4359 Ų5923%0.22531%0.306CS..Hα-helixtrans-56.9-35.4177.6-179.960.6000113I152 Y153 I179 R180 L183L149-I152 PolarHBondContact O-N 3.3Å; L149-Y153 HydrophobicContact CD1-CE1 3.84Å; L149-Y153 HydrophobicContact CG-CE1 4.26Å; L149-Y153 HydrophobicContact CG-CE2 4.03Å; L149-Y153 PolarHBondContact O-N 3.02Å; L149-I179 HydrophobicContact CD1-CG2 4.25Å; L149-R180 HydrophobicContact CD1-CG 4.07Å; L149-R180 HydrophobicContact CD2-CG 3.98Å; L149-L183 HydrophobicContact CD1-CD1 3.66Å
150S95.2Very high96.3Very high64 Ų6459.6 Ų59.645%0.44831%0.309SS..Hα-helixtrans-65.7-49.2175.5-161.40000111T148 I152 Y153 D154T148-S150 PolarHBondContact O-N 2.88Å; S150-I152 PolarHBondContact O-N 2.98Å; S150-I152 VanDerWaalsContact O-N 3.15Å; S150-Y153 WeakPolarHBondContact O-CA 3.41Å; S150-Y153 VanDerWaalsContact O-CB 3.29Å; S150-Y153 WeakPolarHBondContact O-CB 3.42Å; S150-Y153 PolarHBondContact O-N 2.87Å; S150-D154 PolarHBondContact O-N 3.23Å
151Q97Very high96.1Very high75 Ų7559.4 Ų59.435%0.3531%0.313SS..Hα-helixtrans-61.4-27.7-179.4-66.3170.6-38.300112.9L147 T148 D154 W155L147-Q151 HydrophobicContact CB-CB 4.15Å; L147-Q151 HydrophobicContact CD2-CB 3.94Å; L147-Q151 HydrophobicContact CG-CB 4.45Å; T148-Q151 PolarHBondContact O-N 2.9Å; T148-Q151 VanDerWaalsContact O-N 3.14Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.46Å; T148-Q151 PolarHBondContact OG1-N 2.84Å; Q151-D154 WeakPolarHBondContact CA-OD2 3.49Å; Q151-W155 VanDerWaalsContact O-CB 3.27Å; Q151-W155 WeakPolarHBondContact O-CB 3.35Å; Q151-W155 PolarHBondContact O-N 3.33Å
152I97.6Very high95.9Very high0 Ų060.5 Ų60.50%031%0.307CS..Hα-helixtrans-68.8-41.1171.1-65.2169.8000110.7I135 I139 L147 T148 L149 S150 M156 I179 L183 W203I135-I152 HydrophobicContact CG1-CG2 4.26Å; I139-I152 HydrophobicContact CD1-CD1 4.45Å; I139-I152 HydrophobicContact CG1-CD1 4.46Å; L147-I152 HydrophobicContact CB-CD1 4.42Å; L147-I152 HydrophobicContact CB-CG1 3.86Å; L147-I152 HydrophobicContact CD1-CG1 4.1Å; T148-I152 PolarHBondContact O-N 3.16Å; T148-I152 VanDerWaalsContact O-N 3.1Å; L149-I152 PolarHBondContact O-N 3.3Å; S150-I152 PolarHBondContact O-N 2.98Å; S150-I152 VanDerWaalsContact O-N 3.15Å; I152-M156 HydrophobicContact CG2-CE 4.1Å; I152-M156 WeakPolarHBondContact O-CG 3.4Å; I152-M156 PolarHBondContact O-N 2.94Å; I152-M156 VanDerWaalsContact O-N 3.12Å; I152-I179 HydrophobicContact CG2-CG2 3.83Å; I152-L183 HydrophobicContact CD1-CD1 4.22Å; I152-L183 HydrophobicContact CD1-CD2 4.25Å; I152-W203 HydrophobicContact CD1-CB 4.03Å; I152-W203 HydrophobicContact CD1-CG 4.36Å
153Y96.3Very high95.7Very high35 Ų3560.2 Ų60.214%0.13730%0.304CS..Hα-helixtrans-61.5-48.2172.2-54.9-35.6000111.1L149 S150 W155 M156 V157 W175 K176 I179 R180L149-Y153 HydrophobicContact CD1-CE1 3.84Å; L149-Y153 HydrophobicContact CG-CE1 4.26Å; L149-Y153 HydrophobicContact CG-CE2 4.03Å; L149-Y153 PolarHBondContact O-N 3.02Å; S150-Y153 WeakPolarHBondContact O-CA 3.41Å; S150-Y153 VanDerWaalsContact O-CB 3.29Å; S150-Y153 WeakPolarHBondContact O-CB 3.42Å; S150-Y153 PolarHBondContact O-N 2.87Å; Y153-W155 VanDerWaalsContact C-N 3.28Å; Y153-W155 PolarHBondContact O-N 3.26Å; Y153-M156 WeakPolarHBondContact O-CB 3.29Å; Y153-M156 PolarHBondContact O-N 3.19Å; Y153-M156 VanDerWaalsContact O-N 3.09Å; Y153-V157 WeakPolarHBondContact O-CG2 3.39Å; Y153-V157 PolarHBondContact O-N 2.81Å; Y153-V157 VanDerWaalsContact O-N 3.12Å; Y153-W175 HydrophobicContact CD1-CH2 4.28Å; Y153-W175 AromaticContact CD1-CZ3 3.9Å; Y153-W175 HydrophobicContact CD1-CZ3 3.9Å; Y153-W175 HydrophobicContact CG-CH2 4.39Å; Y153-W175 HydrophobicContact CG-CZ3 4.45Å; Y153-K176 HydrophobicContact CD1-CB 4.27Å; Y153-K176 HydrophobicContact CD1-CD 4.49Å; Y153-K176 HydrophobicContact CD1-CG 3.86Å; Y153-K176 HydrophobicContact CD2-CD 4.29Å; Y153-K176 HydrophobicContact CE1-CB 3.71Å; Y153-K176 HydrophobicContact CE1-CG 3.83Å; Y153-K176 HydrophobicContact CE2-CD 4.35Å; Y153-K176 HydrophobicContact CE2-CG 4.49Å; Y153-K176 HydrophobicContact CG-CD 4.36Å; Y153-K176 HydrophobicContact CG-CG 4.21Å; Y153-I179 HydrophobicContact CD1-CG2 4.36Å; Y153-I179 HydrophobicContact CE1-CB 4.23Å; Y153-I179 HydrophobicContact CE1-CG2 4.07Å; Y153-R180 PolarHBondContact OH-NH1 3.44Å
154D95.7Very high95.4Very high91 Ų9161.6 Ų61.649%0.48729%0.293SS..Hα-helixtrans-60.3-39.5-179.1-48.6-30.5000111.3S150 Q151 K158S150-D154 PolarHBondContact O-N 3.23Å; Q151-D154 WeakPolarHBondContact CA-OD2 3.49Å; D154-K158 WeakPolarHBondContact O-CB 3.41Å; D154-K158 PolarHBondContact O-N 3.46Å; D154-K158 VanDerWaalsContact O-N 3.07Å
155W97.4Very high95Very high33 Ų3361.6 Ų61.613%0.12530%0.297CS..Hα-helixtrans-64-41.9174.8-173.299.3000112.4L134 Q137 A138 S141 Q151 Y153 K158 N159 V160L134-W155 HydrophobicContact CB-CZ3 4.37Å; L134-W155 HydrophobicContact CD2-CZ3 4.38Å; L134-W155 WeakPolarHBondContact O-CZ3 3.4Å; Q137-W155 HydrophobicContact CB-CH2 3.67Å; Q137-W155 HydrophobicContact CB-CZ2 3.85Å; A138-W155 VanDerWaalsContact CA-CE2 3.48Å; A138-W155 HydrophobicContact CB-CB 4.11Å; A138-W155 HydrophobicContact CB-CD2 3.45Å; A138-W155 VanDerWaalsContact CB-CD2 3.45Å; A138-W155 HydrophobicContact CB-CE3 3.64Å; A138-W155 HydrophobicContact CB-CG 3.65Å; A138-W155 HydrophobicContact CB-CZ3 4.27Å; S141-W155 PolarHBondContact OG-NE1 2.9Å; Q151-W155 VanDerWaalsContact O-CB 3.27Å; Q151-W155 WeakPolarHBondContact O-CB 3.35Å; Q151-W155 PolarHBondContact O-N 3.33Å; Y153-W155 VanDerWaalsContact C-N 3.28Å; Y153-W155 PolarHBondContact O-N 3.26Å; W155-K158 PolarHBondContact O-N 3.3Å; W155-N159 VanDerWaalsContact CD1-ND2 3.26Å; W155-N159 HydrophobicContact CD2-CB 4.16Å; W155-N159 HydrophobicContact CE3-CB 4.31Å; W155-N159 HydrophobicContact CH2-CB 4.09Å; W155-N159 HydrophobicContact CZ2-CB 3.94Å; W155-N159 HydrophobicContact CZ3-CB 4.28Å; W155-N159 PolarHBondContact NE1-ND2 3.02Å; W155-N159 WeakPolarHBondContact O-CB 3.47Å; W155-N159 PolarHBondContact O-N 2.67Å; W155-N159 PolarHBondContact O-ND2 2.98Å; W155-V160 HydrophobicContact CZ3-CG2 4.16Å
156M95.9Very high94.6Very high0 Ų059.7 Ų59.70%029%0.289CS..Hα-helixtrans-61.4-50178.9-65.2-83.5165.700110.5L134 I135 I152 Y153 K158 V160 F163 W175 I179L134-M156 HydrophobicContact CB-CE 3.54Å; L134-M156 HydrophobicContact CB-SD 3.8Å; L134-M156 HydrophobicContact CD1-SD 4Å; L134-M156 HydrophobicContact CG-SD 4.49Å; I135-M156 HydrophobicContact CG1-CE 3.81Å; I152-M156 HydrophobicContact CG2-CE 4.1Å; I152-M156 WeakPolarHBondContact O-CG 3.4Å; I152-M156 PolarHBondContact O-N 2.94Å; I152-M156 VanDerWaalsContact O-N 3.12Å; Y153-M156 WeakPolarHBondContact O-CB 3.29Å; Y153-M156 PolarHBondContact O-N 3.19Å; Y153-M156 VanDerWaalsContact O-N 3.09Å; M156-K158 VanDerWaalsContact C-N 3.34Å; M156-K158 PolarHBondContact O-N 2.87Å; M156-V160 VanDerWaalsContact O-CB 3.29Å; M156-V160 WeakPolarHBondContact O-CB 3.48Å; M156-V160 PolarHBondContact O-N 2.82Å; M156-F163 HydrophobicContact CB-CD2 4.2Å; M156-W175 HydrophobicContact CB-CH2 4.24Å; M156-W175 HydrophobicContact CB-CZ3 3.99Å; M156-W175 HydrophobicContact CG-CZ3 4.23Å; M156-I179 HydrophobicContact CE-CD1 3.59Å; M156-I179 HydrophobicContact CG-CD1 4.47Å; M156-I179 HydrophobicContact SD-CD1 4.07Å
157V95Very high93.7Very high33 Ų3356 Ų5620%0.228%0.277CS..Hα-helixtrans-57.5-45.8178177.40000111Y153 R164 W175Y153-V157 WeakPolarHBondContact O-CG2 3.39Å; Y153-V157 PolarHBondContact O-N 2.81Å; Y153-V157 VanDerWaalsContact O-N 3.12Å; V157-R164 WeakPolarHBondContact O-CG 3.14Å; V157-W175 HydrophobicContact CG2-CH2 4.07Å; V157-W175 HydrophobicContact CG2-CZ2 4.04Å
158K95.5Very high92.6Very high157 Ų15762.9 Ų62.968%0.68331%0.314SS*.Hα-helixtrans-68-48.8-177.8-173.6173.1-176.7173.70113.4D154 W155 M156 R164D154-K158 WeakPolarHBondContact O-CB 3.41Å; D154-K158 PolarHBondContact O-N 3.46Å; D154-K158 VanDerWaalsContact O-N 3.07Å; W155-K158 PolarHBondContact O-N 3.3Å; M156-K158 VanDerWaalsContact C-N 3.34Å; M156-K158 PolarHBondContact O-N 2.87Å; K158-R164 PolarHBondContact O-NE 3.28Å; K158-R164 PolarHBondContact O-NH2 2.89Å
159N96.1Very high91.3Very high77 Ų7765.2 Ų65.241%0.41233%0.331SS..Hα-helixtrans-93.1-28-166.6-64-87.6000113.7W155W155-N159 VanDerWaalsContact CD1-ND2 3.26Å; W155-N159 HydrophobicContact CD2-CB 4.16Å; W155-N159 HydrophobicContact CE3-CB 4.31Å; W155-N159 HydrophobicContact CH2-CB 4.09Å; W155-N159 HydrophobicContact CZ2-CB 3.94Å; W155-N159 HydrophobicContact CZ3-CB 4.28Å; W155-N159 PolarHBondContact NE1-ND2 3.02Å; W155-N159 WeakPolarHBondContact O-CB 3.47Å; W155-N159 PolarHBondContact O-N 2.67Å; W155-N159 PolarHBondContact O-ND2 2.98Å
160V94.7Very high89.9Confident11 Ų1170 Ų707%0.06736%0.357CS..  trans-104.5111.6-176-177.80000109.2W126 L134 W155 M156 Y162 F163W126-V160 HydrophobicContact CB-CG1 3.56Å; W126-V160 HydrophobicContact CG-CG1 4.47Å; L134-V160 HydrophobicContact CD1-CG2 4.33Å; L134-V160 HydrophobicContact CD2-CG2 3.84Å; W155-V160 HydrophobicContact CZ3-CG2 4.16Å; M156-V160 VanDerWaalsContact O-CB 3.29Å; M156-V160 WeakPolarHBondContact O-CB 3.48Å; M156-V160 PolarHBondContact O-N 2.82Å; V160-Y162 PolarHBondContact O-N 3.16Å; V160-Y162 VanDerWaalsContact O-N 3.08Å; V160-F163 HydrophobicContact CB-CD2 3.86Å; V160-F163 HydrophobicContact CG1-CD2 3.67Å; V160-F163 HydrophobicContact CG1-CE2 4.03Å; V160-F163 PolarHBondContact O-N 2.96Å
161P93.1Very high88.3Confident91 Ų9172.1 Ų72.159%0.59137%0.372SS*.G310 helixtrans-54.9-35-172.7-29.636.5000114.8F163 R164P161-F163 PolarHBondContact O-N 3.35Å; P161-R164 PolarHBondContact O-N 3.48Å
162Y92Very high87Confident96 Ų9668.8 Ų68.838%0.37636%0.356SS..G310 helixtrans-66.1-12.6179.1179.3-99.3000115A125 W126 V160 K166A125-Y162 HydrophobicContact CB-CD1 4.32Å; A125-Y162 HydrophobicContact CB-CD2 3.66Å; A125-Y162 HydrophobicContact CB-CE1 4.11Å; A125-Y162 HydrophobicContact CB-CE2 3.42Å; A125-Y162 VanDerWaalsContact CB-CE2 3.42Å; A125-Y162 HydrophobicContact CB-CG 4.12Å; W126-Y162 HydrophobicContact CB-CD1 4.24Å; W126-Y162 HydrophobicContact CB-CG 4.36Å; W126-Y162 AromaticContact CE3-CD1 3.86Å; W126-Y162 HydrophobicContact CE3-CD1 3.86Å; W126-Y162 AromaticContact CE3-CE1 3.95Å; W126-Y162 HydrophobicContact CE3-CE1 3.95Å; W126-Y162 HydrophobicContact CZ3-CE1 4.41Å; V160-Y162 PolarHBondContact O-N 3.16Å; V160-Y162 VanDerWaalsContact O-N 3.08Å; Y162-K166 WeakPolarHBondContact O-CE 3.05Å
163F92.5Very high86.3Confident2 Ų271.4 Ų71.41%0.00938%0.378CS..G310 helixtrans-109.50.8177.7-63.5-58000113.6W126 Y131 M156 V160 P161 D165 K166 W175W126-F163 HydrophobicContact CB-CE2 4.41Å; W126-F163 HydrophobicContact CD2-CE2 4.28Å; W126-F163 HydrophobicContact CD2-CZ 4.13Å; W126-F163 HydrophobicContact CE3-CE2 4.3Å; W126-F163 AromaticContact CE3-CZ 3.73Å; W126-F163 HydrophobicContact CE3-CZ 3.73Å; W126-F163 HydrophobicContact CG-CE2 4.36Å; W126-F163 HydrophobicContact CZ3-CZ 4.18Å; Y131-F163 HydrophobicContact CE1-CE2 4.46Å; Y131-F163 AromaticContact CE1-CZ 3.98Å; Y131-F163 HydrophobicContact CE1-CZ 3.98Å; M156-F163 HydrophobicContact CB-CD2 4.2Å; V160-F163 HydrophobicContact CB-CD2 3.86Å; V160-F163 HydrophobicContact CG1-CD2 3.67Å; V160-F163 HydrophobicContact CG1-CE2 4.03Å; V160-F163 PolarHBondContact O-N 2.96Å; P161-F163 PolarHBondContact O-N 3.35Å; F163-D165 PolarHBondContact O-N 3.26Å; F163-K166 HydrophobicContact CD1-CD 4.47Å; F163-K166 CarbonylContact O-C 3.46Å; F163-K166 PolarHBondContact O-N 3.04Å; F163-W175 HydrophobicContact CD1-CB 4.49Å; F163-W175 HydrophobicContact CD1-CD2 4.03Å; F163-W175 AromaticContact CD1-CG 3.99Å; F163-W175 HydrophobicContact CD1-CG 3.99Å; F163-W175 HydrophobicContact CE1-CB 3.77Å; F163-W175 HydrophobicContact CE1-CD2 4.11Å; F163-W175 AromaticContact CE1-CG 3.76Å; F163-W175 HydrophobicContact CE1-CG 3.76Å; F163-W175 HydrophobicContact CZ-CB 4.39Å
164R90.1Very high86Confident152 Ų15272.3 Ų72.357%0.57440%0.398SS*.G310 helixtrans-62.7-43.2-177.3-76.6178.1176.9177-1.4113.2V157 K158 P161 K166V157-R164 WeakPolarHBondContact O-CG 3.14Å; K158-R164 PolarHBondContact O-NE 3.28Å; K158-R164 PolarHBondContact O-NH2 2.89Å; P161-R164 PolarHBondContact O-N 3.48Å; R164-K166 PolarHBondContact O-N 3.36Å
165D87.6Confident85.9Confident116 Ų11668.9 Ų68.962%0.6238%0.378SS*.G310 helixtrans-80-3.4175.564.8-55.7000113F163F163-D165 PolarHBondContact O-N 3.26Å
166K86.1Confident85.8Confident60 Ų6069.4 Ų69.426%0.26138%0.381SS..G310 helixtrans-118.528.1-172.5-41.8-167.5-165.8-54.30112.3Y162 F163 R164 S172 W175Y162-K166 WeakPolarHBondContact O-CE 3.05Å; F163-K166 HydrophobicContact CD1-CD 4.47Å; F163-K166 CarbonylContact O-C 3.46Å; F163-K166 PolarHBondContact O-N 3.04Å; R164-K166 PolarHBondContact O-N 3.36Å; K166-S172 PolarHBondContact O-OG 3.39Å; K166-W175 VanDerWaalsContact O-CZ2 3.27Å; K166-W175 WeakPolarHBondContact O-CZ2 3.2Å; K166-W175 PolarHBondContact O-NE1 3.33Å
167G78.5Confident85.8Confident7 Ų773.7 Ų73.77%0.07240%0.404CS..SBendtrans-74.5-60.1176.400000112.6K176G167-K176 PolarHBondContact O-NZ 3.41Å
168D74.8Confident85.8Confident164 Ų16473.2 Ų73.288%0.87740%0.403SS*.SBendtrans-98.4-22-157-48.1-64.4000114.4
169S68.8Low85.9Confident62 Ų6265.8 Ų65.843%0.43437%0.37SS..  trans-65.9142.2-178.1-1800000112.8S171 S172S169-S171 PolarHBondContact O-N 3.37Å; S169-S171 WeakPolarHBondContact OG-CB 3.48Å; S169-S171 PolarHBondContact OG-N 2.93Å; S169-S171 PolarHBondContact OG-OG 3.08Å; S169-S172 WeakPolarHBondContact O-CB 3.47Å; S169-S172 PolarHBondContact O-N 2.96Å; S169-S172 PolarHBondContact O-OG 3.25Å
170N68.1Low86Confident144 Ų14467 Ų6777%0.7737%0.369SS*.G310 helixtrans-57.8-31.9169.7-170.333000111.7S172 A173N170-S172 PolarHBondContact O-N 2.92Å; N170-A173 WeakPolarHBondContact O-CB 3.45Å; N170-A173 PolarHBondContact O-N 2.71Å
171S60.8Low86.1Confident109 Ų10971.3 Ų71.376%0.76239%0.388SS*.G310 helixtrans-59.6-13.5174.8-50.20000113.8S169 A173S169-S171 PolarHBondContact O-N 3.37Å; S169-S171 WeakPolarHBondContact OG-CB 3.48Å; S169-S171 PolarHBondContact OG-N 2.93Å; S169-S171 PolarHBondContact OG-OG 3.08Å; S171-A173 PolarHBondContact O-N 2.99Å; S171-A173 VanDerWaalsContact O-N 3.12Å
172S71Confident86.4Confident4 Ų467.6 Ų67.63%0.02836%0.364CS..G310 helixtrans-63.3-9.2169.9-52.70000114.2K166 S169 N170 G174 W175 K176K166-S172 PolarHBondContact O-OG 3.39Å; S169-S172 WeakPolarHBondContact O-CB 3.47Å; S169-S172 PolarHBondContact O-N 2.96Å; S169-S172 PolarHBondContact O-OG 3.25Å; N170-S172 PolarHBondContact O-N 2.92Å; S172-G174 PolarHBondContact O-N 3.45Å; S172-G174 VanDerWaalsContact O-N 3.14Å; S172-W175 PolarHBondContact O-N 3.16Å; S172-K176 WeakPolarHBondContact O-CB 3.5Å; S172-K176 WeakPolarHBondContact O-CG 3.43Å; S172-K176 PolarHBondContact O-N 2.93Å; S172-K176 VanDerWaalsContact O-N 3.07Å
173A81.6Confident86.6Confident56 Ų5663.2 Ų63.246%0.46335%0.346SS..Hα-helixtrans-47.2-41178.800000113.3N170 S171 N177N170-A173 WeakPolarHBondContact O-CB 3.45Å; N170-A173 PolarHBondContact O-N 2.71Å; S171-A173 PolarHBondContact O-N 2.99Å; S171-A173 VanDerWaalsContact O-N 3.12Å; A173-N177 WeakPolarHBondContact O-CB 3.46Å; A173-N177 PolarHBondContact O-N 2.78Å
174G90.5Very high86.8Confident53 Ų5367.7 Ų67.755%0.54638%0.378SS..Hα-helixtrans-60-56.2-17900000113.6S172 N177 S178S172-G174 PolarHBondContact O-N 3.45Å; S172-G174 VanDerWaalsContact O-N 3.14Å; G174-N177 WeakPolarHBondContact O-CB 3.5Å; G174-N177 PolarHBondContact O-N 3.34Å; G174-S178 PolarHBondContact O-N 3.28Å; G174-S178 VanDerWaalsContact O-N 3.13Å; G174-S178 PolarHBondContact O-OG 3.13Å
175W93.8Very high87.1Confident19 Ų1965 Ų657%0.07238%0.375CS..Hα-helixtrans-71.3-37.6-178.574.3-103.8000111.9Y153 M156 V157 F163 K166 S172 N177 S178 I179Y153-W175 HydrophobicContact CD1-CH2 4.28Å; Y153-W175 AromaticContact CD1-CZ3 3.9Å; Y153-W175 HydrophobicContact CD1-CZ3 3.9Å; Y153-W175 HydrophobicContact CG-CH2 4.39Å; Y153-W175 HydrophobicContact CG-CZ3 4.45Å; M156-W175 HydrophobicContact CB-CH2 4.24Å; M156-W175 HydrophobicContact CB-CZ3 3.99Å; M156-W175 HydrophobicContact CG-CZ3 4.23Å; V157-W175 HydrophobicContact CG2-CH2 4.07Å; V157-W175 HydrophobicContact CG2-CZ2 4.04Å; F163-W175 HydrophobicContact CD1-CB 4.49Å; F163-W175 HydrophobicContact CD1-CD2 4.03Å; F163-W175 AromaticContact CD1-CG 3.99Å; F163-W175 HydrophobicContact CD1-CG 3.99Å; F163-W175 HydrophobicContact CE1-CB 3.77Å; F163-W175 HydrophobicContact CE1-CD2 4.11Å; F163-W175 AromaticContact CE1-CG 3.76Å; F163-W175 HydrophobicContact CE1-CG 3.76Å; F163-W175 HydrophobicContact CZ-CB 4.39Å; K166-W175 VanDerWaalsContact O-CZ2 3.27Å; K166-W175 WeakPolarHBondContact O-CZ2 3.2Å; K166-W175 PolarHBondContact O-NE1 3.33Å; S172-W175 PolarHBondContact O-N 3.16Å; W175-N177 PolarHBondContact O-N 3.45Å; W175-S178 WeakPolarHBondContact CA-OG 3.18Å; W175-S178 PolarHBondContact O-N 3.14Å; W175-S178 PolarHBondContact O-OG 2.93Å; W175-I179 HydrophobicContact CE3-CG1 4.12Å; W175-I179 HydrophobicContact CZ3-CG1 4.33Å; W175-I179 WeakPolarHBondContact O-CG1 3.45Å; W175-I179 PolarHBondContact O-N 3.43Å; W175-I179 VanDerWaalsContact O-N 3.07Å
176K95.2Very high87.5Confident44 Ų4462.6 Ų62.619%0.19136%0.359CS..Hα-helixtrans-61.9-31.1173.4-67178.4-177.4171.90111.3Y153 G167 S172 R180Y153-K176 HydrophobicContact CD1-CB 4.27Å; Y153-K176 HydrophobicContact CD1-CD 4.49Å; Y153-K176 HydrophobicContact CD1-CG 3.86Å; Y153-K176 HydrophobicContact CD2-CD 4.29Å; Y153-K176 HydrophobicContact CE1-CB 3.71Å; Y153-K176 HydrophobicContact CE1-CG 3.83Å; Y153-K176 HydrophobicContact CE2-CD 4.35Å; Y153-K176 HydrophobicContact CE2-CG 4.49Å; Y153-K176 HydrophobicContact CG-CD 4.36Å; Y153-K176 HydrophobicContact CG-CG 4.21Å; G167-K176 PolarHBondContact O-NZ 3.41Å; S172-K176 WeakPolarHBondContact O-CB 3.5Å; S172-K176 WeakPolarHBondContact O-CG 3.43Å; S172-K176 PolarHBondContact O-N 2.93Å; S172-K176 VanDerWaalsContact O-N 3.07Å; K176-R180 WeakPolarHBondContact O-CG 3.35Å; K176-R180 PolarHBondContact O-N 3.31Å; K176-R180 PolarHBondContact O-NH1 3.45Å
177N95.6Very high87.8Confident90 Ų9065.1 Ų65.148%0.48139%0.385SS..Hα-helixtrans-70.9-44.4172.7-163.344.3000112.8A173 G174 W175 I179 R180 H181A173-N177 WeakPolarHBondContact O-CB 3.46Å; A173-N177 PolarHBondContact O-N 2.78Å; G174-N177 WeakPolarHBondContact O-CB 3.5Å; G174-N177 PolarHBondContact O-N 3.34Å; W175-N177 PolarHBondContact O-N 3.45Å; N177-I179 PolarHBondContact O-N 2.75Å; N177-R180 PolarHBondContact O-N 3.33Å; N177-R180 VanDerWaalsContact O-N 3.15Å; N177-R180 PolarHBondContact OD1-NH2 2.85Å; N177-H181 WeakPolarHBondContact O-CB 3.08Å; N177-H181 PolarHBondContact O-N 3.05Å
178S96.4Very high88.6Confident24 Ų2467.9 Ų67.917%0.16839%0.393CS..Hα-helixtrans-62-31.4175.944.60000113.1Y131 G174 W175 N182Y131-S178 VanDerWaalsContact CE2-OG 3.27Å; Y131-S178 WeakPolarHBondContact CE2-OG 3.4Å; Y131-S178 PolarHBondContact OH-OG 3.19Å; G174-S178 PolarHBondContact O-N 3.28Å; G174-S178 VanDerWaalsContact O-N 3.13Å; G174-S178 PolarHBondContact O-OG 3.13Å; W175-S178 WeakPolarHBondContact CA-OG 3.18Å; W175-S178 PolarHBondContact O-N 3.14Å; W175-S178 PolarHBondContact O-OG 2.93Å; S178-N182 WeakPolarHBondContact O-CB 3.39Å; S178-N182 PolarHBondContact O-N 3.07Å; S178-N182 PolarHBondContact O-ND2 3.06Å
179I97.1Very high89.7Confident0 Ų060.6 Ų60.60%035%0.354CS..Hα-helixtrans-63.1-51.4170.6-66.2-60.2000111.2Y131 I135 L149 I152 Y153 M156 W175 N177 H181 N182 L183Y131-I179 HydrophobicContact CD1-CD1 3.59Å; Y131-I179 HydrophobicContact CD1-CG1 4.48Å; Y131-I179 HydrophobicContact CE1-CD1 4.2Å; Y131-I179 HydrophobicContact CG-CD1 4.32Å; I135-I179 HydrophobicContact CD1-CD1 3.96Å; I135-I179 HydrophobicContact CD1-CG2 4.26Å; I135-I179 HydrophobicContact CG1-CD1 3.93Å; I135-I179 HydrophobicContact CG1-CG2 4.47Å; L149-I179 HydrophobicContact CD1-CG2 4.25Å; I152-I179 HydrophobicContact CG2-CG2 3.83Å; Y153-I179 HydrophobicContact CD1-CG2 4.36Å; Y153-I179 HydrophobicContact CE1-CB 4.23Å; Y153-I179 HydrophobicContact CE1-CG2 4.07Å; M156-I179 HydrophobicContact CE-CD1 3.59Å; M156-I179 HydrophobicContact CG-CD1 4.47Å; M156-I179 HydrophobicContact SD-CD1 4.07Å; W175-I179 HydrophobicContact CE3-CG1 4.12Å; W175-I179 HydrophobicContact CZ3-CG1 4.33Å; W175-I179 WeakPolarHBondContact O-CG1 3.45Å; W175-I179 PolarHBondContact O-N 3.43Å; W175-I179 VanDerWaalsContact O-N 3.07Å; N177-I179 PolarHBondContact O-N 2.75Å; I179-H181 VanDerWaalsContact C-N 3.3Å; I179-H181 PolarHBondContact O-N 3.15Å; I179-N182 PolarHBondContact O-N 3.29Å; I179-N182 VanDerWaalsContact O-N 3.16Å; I179-L183 HydrophobicContact CG2-CD1 4.01Å; I179-L183 WeakPolarHBondContact O-CG 3.44Å; I179-L183 PolarHBondContact O-N 3.3Å
180R97.6Very high91Very high102 Ų10261.3 Ų61.339%0.38535%0.351SS..Hα-helixtrans-57.6-42.4177.2-68.1-174.1-57-96.110112.4L149 Y153 K176 N177 L183 S184L149-R180 HydrophobicContact CD1-CG 4.07Å; L149-R180 HydrophobicContact CD2-CG 3.98Å; Y153-R180 PolarHBondContact OH-NH1 3.44Å; K176-R180 WeakPolarHBondContact O-CG 3.35Å; K176-R180 PolarHBondContact O-N 3.31Å; K176-R180 PolarHBondContact O-NH1 3.45Å; N177-R180 PolarHBondContact O-N 3.33Å; N177-R180 VanDerWaalsContact O-N 3.15Å; N177-R180 PolarHBondContact OD1-NH2 2.85Å; R180-L183 PolarHBondContact O-N 2.79Å; R180-S184 PolarHBondContact O-N 3.24Å; R180-S184 PolarHBondContact O-OG 2.86Å
181H97.3Very high92.3Very high103 Ų10361.5 Ų61.548%0.47734%0.341SS..Hα-helixtrans-63.2-41.5175.916970.3000112.7N177 I179 L183 S184 L185N177-H181 WeakPolarHBondContact O-CB 3.08Å; N177-H181 PolarHBondContact O-N 3.05Å; I179-H181 VanDerWaalsContact C-N 3.3Å; I179-H181 PolarHBondContact O-N 3.15Å; H181-L183 VanDerWaalsContact C-N 3.33Å; H181-L183 PolarHBondContact O-N 3Å; H181-S184 PolarHBondContact O-N 3.07Å; H181-S184 PolarHBondContact O-OG 2.84Å; H181-L185 VanDerWaalsContact CE1-CD1 3.45Å; H181-L185 WeakPolarHBondContact CE1-CD1 3.27Å; H181-L185 WeakPolarHBondContact O-CB 3.07Å; H181-L185 PolarHBondContact O-N 2.97Å
182N98Very high93.9Very high13 Ų1359.8 Ų59.87%0.0732%0.322CS..Hα-helixtrans-67.2-34.4177-87.1-107.9000112.4Y131 A132 I135 S178 I179 S184 H186Y131-N182 WeakPolarHBondContact CB-OD1 3.45Å; A132-N182 PolarHBondContact N-OD1 2.85Å; I135-N182 HydrophobicContact CD1-CB 3.64Å; S178-N182 WeakPolarHBondContact O-CB 3.39Å; S178-N182 PolarHBondContact O-N 3.07Å; S178-N182 PolarHBondContact O-ND2 3.06Å; I179-N182 PolarHBondContact O-N 3.29Å; I179-N182 VanDerWaalsContact O-N 3.16Å; N182-S184 VanDerWaalsContact C-N 3.34Å; N182-H186 PolarHBondContact O-N 3.32Å
183L97.8Very high95Very high3 Ų364.2 Ų64.22%0.01634%0.343CS..Hα-helixtrans-67.4-30176.5-72.4168.2000113.2I135 L149 I152 I179 R180 H181 F189 W203I135-L183 HydrophobicContact CD1-CD2 4.38Å; I135-L183 HydrophobicContact CD1-CG 4.2Å; I135-L183 HydrophobicContact CG2-CD2 3.67Å; L149-L183 HydrophobicContact CD1-CD1 3.66Å; I152-L183 HydrophobicContact CD1-CD1 4.22Å; I152-L183 HydrophobicContact CD1-CD2 4.25Å; I179-L183 HydrophobicContact CG2-CD1 4.01Å; I179-L183 WeakPolarHBondContact O-CG 3.44Å; I179-L183 PolarHBondContact O-N 3.3Å; R180-L183 PolarHBondContact O-N 2.79Å; H181-L183 VanDerWaalsContact C-N 3.33Å; H181-L183 PolarHBondContact O-N 3Å; L183-F189 HydrophobicContact CD2-CB 4.13Å; L183-F189 HydrophobicContact CD2-CD2 4.26Å; L183-F189 HydrophobicContact CD2-CG 4.07Å; L183-W203 HydrophobicContact CB-CD2 4.3Å; L183-W203 HydrophobicContact CB-CE3 4.1Å; L183-W203 HydrophobicContact CB-CH2 3.9Å; L183-W203 HydrophobicContact CB-CZ2 4.12Å; L183-W203 HydrophobicContact CB-CZ3 3.88Å; L183-W203 HydrophobicContact CD1-CD2 4.12Å; L183-W203 HydrophobicContact CD1-CG 4.26Å; L183-W203 HydrophobicContact CD1-CZ2 4.44Å; L183-W203 HydrophobicContact CD2-CB 4.25Å; L183-W203 HydrophobicContact CD2-CD2 3.88Å; L183-W203 HydrophobicContact CD2-CE3 3.87Å; L183-W203 HydrophobicContact CD2-CG 4.05Å; L183-W203 HydrophobicContact CD2-CZ3 4.49Å; L183-W203 HydrophobicContact CG-CD2 4.33Å; L183-W203 HydrophobicContact CG-CE3 4.44Å; L183-W203 WeakPolarHBondContact O-CZ3 3.27Å
184S96.1Very high95.4Very high96 Ų9662.8 Ų62.867%0.67133%0.327SS*.Hα-helixtrans-93.8-28.1175.658.60000114.3R180 H181 N182R180-S184 PolarHBondContact O-N 3.24Å; R180-S184 PolarHBondContact O-OG 2.86Å; H181-S184 PolarHBondContact O-N 3.07Å; H181-S184 PolarHBondContact O-OG 2.84Å; N182-S184 VanDerWaalsContact C-N 3.34Å
185L95.7Very high95.2Very high97 Ų9767.3 Ų67.351%0.50833%0.334SS..Hα-helixtrans-75.2-36.9-179.3-178.1149.6000113H181H181-L185 VanDerWaalsContact CE1-CD1 3.45Å; H181-L185 WeakPolarHBondContact CE1-CD1 3.27Å; H181-L185 WeakPolarHBondContact O-CB 3.07Å; H181-L185 PolarHBondContact O-N 2.97Å
186H95.7Very high94.7Very high64 Ų6467.8 Ų67.830%0.29635%0.345SS..  trans-99.4111.1-175.4-68.5-62.8000112N182 R188 F189N182-H186 PolarHBondContact O-N 3.32Å; H186-R188 HydrophobicContact CB-CG 4.1Å; H186-R188 PolarHBondContact O-N 2.79Å; H186-F189 HydrophobicContact CB-CD2 3.88Å; H186-F189 HydrophobicContact CB-CE2 3.95Å; H186-F189 PolarHBondContact O-N 3.14Å
187S93.6Very high94.1Very high113 Ų11372.1 Ų72.179%0.7938%0.378SS*.THydrogen-bonded Turntrans-57.2-9.6177.369.20000115.6F189S187-F189 PolarHBondContact O-N 3.3Å
188R95.2Very high93.5Very high66 Ų6672.1 Ų72.125%0.24940%0.399CS..THydrogen-bonded Turntrans-70.9-12.3171.879.7-174.2-61-170-0.1113.6T136 H186 I205 D206 A209T136-R188 VanDerWaalsContact OG1-CZ 3.32Å; T136-R188 PolarHBondContact OG1-NH1 2.92Å; H186-R188 HydrophobicContact CB-CG 4.1Å; H186-R188 PolarHBondContact O-N 2.79Å; R188-I205 WeakPolarHBondContact O-CA 3.29Å; R188-D206 PolarHBondContact O-N 3.38Å; R188-A209 HydrophobicContact CB-CB 3.73Å
189F97.1Very high93.1Very high11 Ų1176.4 Ų76.45%0.04842%0.415CS..EExtended strand (participates in β ladder)trans-109.3122175.7-54.3-56.6000108.9A132 I135 I139 L183 H186 S187 W203 V204 I205A132-F189 HydrophobicContact CB-CE2 4.2Å; A132-F189 HydrophobicContact CB-CZ 4.32Å; A132-F189 WeakPolarHBondContact O-CZ 3.48Å; I135-F189 HydrophobicContact CB-CE1 4.25Å; I135-F189 HydrophobicContact CB-CE2 4.48Å; I135-F189 HydrophobicContact CB-CZ 3.92Å; I135-F189 HydrophobicContact CG2-CD1 3.99Å; I135-F189 HydrophobicContact CG2-CE1 3.54Å; I135-F189 HydrophobicContact CG2-CE2 4.14Å; I135-F189 HydrophobicContact CG2-CG 4.48Å; I135-F189 HydrophobicContact CG2-CZ 3.62Å; I139-F189 HydrophobicContact CD1-CD1 4.15Å; I139-F189 HydrophobicContact CD1-CE1 4.43Å; L183-F189 HydrophobicContact CD2-CB 4.13Å; L183-F189 HydrophobicContact CD2-CD2 4.26Å; L183-F189 HydrophobicContact CD2-CG 4.07Å; H186-F189 HydrophobicContact CB-CD2 3.88Å; H186-F189 HydrophobicContact CB-CE2 3.95Å; H186-F189 PolarHBondContact O-N 3.14Å; S187-F189 PolarHBondContact O-N 3.3Å; F189-W203 HydrophobicContact CB-CE3 4.33Å; F189-V204 WeakPolarHBondContact CA-O 3.37Å; F189-I205 HydrophobicContact CD1-CG1 4.37Å; F189-I205 HydrophobicContact CE1-CG1 4.3Å
190M95.7Very high93Very high77 Ų7779.5 Ų79.538%0.37944%0.436SS..EExtended strand (participates in β ladder)trans-110.9142.1176.966.6-175.1-60.400110.6I192 V204 D206M190-I192 HydrophobicContact CE-CD1 4.24Å; M190-I192 HydrophobicContact CE-CG1 4.2Å; M190-I192 HydrophobicContact CG-CG1 4.37Å; M190-I192 HydrophobicContact SD-CD1 4.5Å; M190-V204 HydrophobicContact CG-CB 3.9Å; M190-V204 PolarHBondContact N-O 3.4Å; M190-V204 PolarHBondContact O-N 3.4Å; M190-D206 HydrophobicContact SD-CB 4.42Å
191R96.5Very high92.9Very high148 Ų14875.6 Ų75.656%0.55843%0.425SS*.EExtended strand (participates in β ladder)trans-95.6115.6176.9-173-177.167.3842.1109.4S201 W202 W203R191-S201 VanDerWaalsContact CG-CB 3.43Å; R191-S201 PolarHBondContact NH1-OG 3.16Å; R191-W202 CarbonylContact C-O 3.59Å; R191-W202 WeakPolarHBondContact CA-O 3.47Å; R191-W203 HydrophobicContact CB-CE3 4.12Å; R191-W203 HydrophobicContact CB-CH2 3.97Å; R191-W203 HydrophobicContact CB-CZ2 4.35Å; R191-W203 HydrophobicContact CB-CZ3 3.84Å; R191-W203 HydrophobicContact CG-CH2 4.35Å; R191-W203 HydrophobicContact CG-CZ2 4.25Å
192I95.1Very high92.9Very high72 Ų7272.5 Ų72.537%0.36941%0.409SS..EExtended strand (participates in β ladder)trans-103.4134.4175.5-54.7-171.7000108.7M190 S201 W202 V204M190-I192 HydrophobicContact CE-CD1 4.24Å; M190-I192 HydrophobicContact CE-CG1 4.2Å; M190-I192 HydrophobicContact CG-CG1 4.37Å; M190-I192 HydrophobicContact SD-CD1 4.5Å; I192-S201 WeakPolarHBondContact O-CB 3.42Å; I192-W202 HydrophobicContact CB-CB 4.29Å; I192-W202 PolarHBondContact N-O 2.83Å; I192-W202 PolarHBondContact O-N 3.49Å; I192-V204 HydrophobicContact CD1-CB 4.15Å; I192-V204 HydrophobicContact CD1-CG2 3.57Å; I192-V204 HydrophobicContact CG1-CG2 3.93Å
193Q93.5Very high92.9Very high98 Ų9873.8 Ų73.846%0.45841%0.413SS..PPolyproline II helixtrans-67.4150.5177.6-17346.94100110.7S201Q193-S201 PolarHBondContact OE1-OG 3Å
194N90.4Very high92.9Very high26 Ų2674.8 Ų74.814%0.13942%0.419CS..PPolyproline II helixtrans-102.8158-177.9-162-6.4000110.6G196 K199 S200 W202N194-G196 VanDerWaalsContact C-N 3.33Å; N194-G196 PolarHBondContact O-N 2.96Å; N194-K199 HydrophobicContact CB-CB 4.1Å; N194-S200 VanDerWaalsContact CB-O 3.23Å; N194-S200 WeakPolarHBondContact CB-O 3.38Å; N194-S200 PolarHBondContact ND2-O 3.21Å; N194-W202 PolarHBondContact OD1-NE1 3.24Å
195E86.4Confident92.9Very high147 Ų14771.8 Ų71.869%0.68740%0.395SS*.SBendtrans-69.780.5-171.7-55.6-49.5140.700112.3K199E195-K199 WeakPolarHBondContact O-CD 3.36Å; E195-K199 WeakPolarHBondContact O-CE 3.44Å; E195-K199 PolarHBondContact O-NZ 3.28Å
196G81.9Confident92.8Very high30 Ų3069.3 Ų69.331%0.30938%0.382SS..SBendtrans126.9145.2175.800000113.3N194N194-G196 VanDerWaalsContact C-N 3.33Å; N194-G196 PolarHBondContact O-N 2.96Å
197P83.7Confident92.5Very high134 Ų13471.2 Ų71.287%0.8740%0.4SS*.THydrogen-bonded Turntrans-61.7151.8176.627.7-34.9000111.5K199P197-K199 PolarHBondContact O-N 3.18Å
198G83.4Confident92Very high90 Ų9071.6 Ų71.693%0.92839%0.393SS*.THydrogen-bonded Turntrans77.6-12.7-179.700000115.9
199K88.1Confident90.9Very high115 Ų11569.8 Ų69.850%0.539%0.392SS..SBendtrans-78.7144.2173.1-65.2178.7-174170.40111.3N194 E195 P197N194-K199 HydrophobicContact CB-CB 4.1Å; E195-K199 WeakPolarHBondContact O-CD 3.36Å; E195-K199 WeakPolarHBondContact O-CE 3.44Å; E195-K199 PolarHBondContact O-NZ 3.28Å; P197-K199 PolarHBondContact O-N 3.18Å
200S94.1Very high89.4Confident65 Ų6575.7 Ų75.746%0.45542%0.418SS..PPolyproline II helixtrans-62.8136.9174.850.90000111.5N194N194-S200 VanDerWaalsContact CB-O 3.23Å; N194-S200 WeakPolarHBondContact CB-O 3.38Å; N194-S200 PolarHBondContact ND2-O 3.21Å
201S96Very high87.9Confident20 Ų2078.3 Ų78.314%0.1444%0.441CS..PPolyproline II helixtrans-63.9151.4176.5-55.60000111.9R191 I192 Q193R191-S201 VanDerWaalsContact CG-CB 3.43Å; R191-S201 PolarHBondContact NH1-OG 3.16Å; I192-S201 WeakPolarHBondContact O-CB 3.42Å; Q193-S201 PolarHBondContact OE1-OG 3Å
202W96.9Very high86Confident37 Ų3774 Ų7414%0.1444%0.442CS..EExtended strand (participates in β ladder)trans-78.7142.3168.8-64.8107.9000110.6R146 T148 R191 I192 N194R146-W202 HydrophobicContact CB-CB 4.4Å; R146-W202 HydrophobicContact CB-CE3 4.12Å; R146-W202 HydrophobicContact CG-CD2 4.09Å; R146-W202 HydrophobicContact CG-CE3 3.73Å; R146-W202 HydrophobicContact CG-CZ3 4.16Å; T148-W202 HydrophobicContact CG2-CD2 4.29Å; T148-W202 HydrophobicContact CG2-CE3 3.79Å; T148-W202 HydrophobicContact CG2-CH2 4.08Å; T148-W202 HydrophobicContact CG2-CZ3 3.68Å; R191-W202 CarbonylContact C-O 3.59Å; R191-W202 WeakPolarHBondContact CA-O 3.47Å; I192-W202 HydrophobicContact CB-CB 4.29Å; I192-W202 PolarHBondContact N-O 2.83Å; I192-W202 PolarHBondContact O-N 3.49Å; N194-W202 PolarHBondContact OD1-NE1 3.24Å
203W98Very high84.1Confident41 Ų4179.9 Ų79.916%0.15547%0.465CS..EExtended strand (participates in β ladder)trans-109.5129.9167.9-68.897.6000109.3I139 R146 L147 I152 L183 F189 R191I139-W203 HydrophobicContact CD1-CB 4.32Å; R146-W203 WeakPolarHBondContact CA-O 3.36Å; L147-W203 PolarHBondContact N-O 3.05Å; L147-W203 PolarHBondContact O-N 2.96Å; I152-W203 HydrophobicContact CD1-CB 4.03Å; I152-W203 HydrophobicContact CD1-CG 4.36Å; L183-W203 HydrophobicContact CB-CD2 4.3Å; L183-W203 HydrophobicContact CB-CE3 4.1Å; L183-W203 HydrophobicContact CB-CH2 3.9Å; L183-W203 HydrophobicContact CB-CZ2 4.12Å; L183-W203 HydrophobicContact CB-CZ3 3.88Å; L183-W203 HydrophobicContact CD1-CD2 4.12Å; L183-W203 HydrophobicContact CD1-CG 4.26Å; L183-W203 HydrophobicContact CD1-CZ2 4.44Å; L183-W203 HydrophobicContact CD2-CB 4.25Å; L183-W203 HydrophobicContact CD2-CD2 3.88Å; L183-W203 HydrophobicContact CD2-CE3 3.87Å; L183-W203 HydrophobicContact CD2-CG 4.05Å; L183-W203 HydrophobicContact CD2-CZ3 4.49Å; L183-W203 HydrophobicContact CG-CD2 4.33Å; L183-W203 HydrophobicContact CG-CE3 4.44Å; L183-W203 WeakPolarHBondContact O-CZ3 3.27Å; F189-W203 HydrophobicContact CB-CE3 4.33Å; R191-W203 HydrophobicContact CB-CE3 4.12Å; R191-W203 HydrophobicContact CB-CH2 3.97Å; R191-W203 HydrophobicContact CB-CZ2 4.35Å; R191-W203 HydrophobicContact CB-CZ3 3.84Å; R191-W203 HydrophobicContact CG-CH2 4.35Å; R191-W203 HydrophobicContact CG-CZ2 4.25Å
204V96.8Very high82.2Confident24 Ų2481 Ų8115%0.14548%0.484CS..EExtended strand (participates in β ladder)trans-131.4147.8-173.1-172.30000108.5R146 F189 M190 I192R146-V204 HydrophobicContact CB-CG2 3.62Å; F189-V204 WeakPolarHBondContact CA-O 3.37Å; M190-V204 HydrophobicContact CG-CB 3.9Å; M190-V204 PolarHBondContact N-O 3.4Å; M190-V204 PolarHBondContact O-N 3.4Å; I192-V204 HydrophobicContact CD1-CB 4.15Å; I192-V204 HydrophobicContact CD1-CG2 3.57Å; I192-V204 HydrophobicContact CG1-CG2 3.93Å
205I96.1Very high80.3Confident33 Ų3385 Ų8517%0.16951%0.514CS..EExtended strand (participates in β ladder)trans-78.3122.5168.1-64.1156.4000107.4T136 I139 L140 R188 F189T136-I205 HydrophobicContact CG2-CD1 3.86Å; I139-I205 HydrophobicContact CB-CD1 3.88Å; I139-I205 HydrophobicContact CB-CG1 4.1Å; I139-I205 HydrophobicContact CD1-CG1 4.26Å; I139-I205 HydrophobicContact CG2-CD1 3.83Å; I139-I205 HydrophobicContact CG2-CG1 3.87Å; L140-I205 HydrophobicContact CD2-CD1 3.84Å; L140-I205 HydrophobicContact CG-CD1 3.67Å; R188-I205 WeakPolarHBondContact O-CA 3.29Å; F189-I205 HydrophobicContact CD1-CG1 4.37Å; F189-I205 HydrophobicContact CE1-CG1 4.3Å
206D93.8Very high79.2Confident44 Ų4488.9 Ų88.924%0.23552%0.522CS..  trans-55.2120.1173.9168.315.9000109.9R188 M190 D208 A209R188-D206 PolarHBondContact O-N 3.38Å; M190-D206 HydrophobicContact SD-CB 4.42Å; D206-D208 PolarHBondContact O-N 3.07Å; D206-D208 PolarHBondContact OD1-N 3.12Å; D206-A209 HydrophobicContact CB-CB 3.82Å; D206-A209 WeakPolarHBondContact O-CB 3.42Å; D206-A209 PolarHBondContact O-N 3.12Å; D206-A209 VanDerWaalsContact O-N 3.16Å; D206-A209 PolarHBondContact OD2-N 3.09Å
207P89.4Confident78.5Confident105 Ų10598.8 Ų98.868%0.68255%0.55SS**THydrogen-bonded Turntrans-65.8-23.9-179.328-35.5000113
208D83.4Confident77.7Confident120 Ų120103.6 Ų103.664%0.64255%0.551SS**THydrogen-bonded Turntrans-85.4-13.1176.2-84.1-51.7000113.6D206 K210D206-D208 PolarHBondContact O-N 3.07Å; D206-D208 PolarHBondContact OD1-N 3.12Å; D208-K210 PolarHBondContact O-N 2.93Å; D208-K210 IonicContact OD1-NZ 3.78Å; D208-K210 PolarHBondContact OD1-NZ 3.34Å
209A73.4Confident77.2Confident28 Ų28103.9 Ų103.923%0.23155%0.545CS..SBendtrans-72.857.3167.700000112.2R188 D206R188-A209 HydrophobicContact CB-CB 3.73Å; D206-A209 HydrophobicContact CB-CB 3.82Å; D206-A209 WeakPolarHBondContact O-CB 3.42Å; D206-A209 PolarHBondContact O-N 3.12Å; D206-A209 VanDerWaalsContact O-N 3.16Å; D206-A209 PolarHBondContact OD2-N 3.09Å
210K65.2Low76.2Confident136 Ų136101.8 Ų101.859%0.59156%0.555SS**  trans-47.1129.5-176.1-73.3176.1176.167.50111.4D208 G212D208-K210 PolarHBondContact O-N 2.93Å; D208-K210 IonicContact OD1-NZ 3.78Å; D208-K210 PolarHBondContact OD1-NZ 3.34Å; K210-G212 PolarHBondContact O-N 3.02Å
211P62.8Low74.9Confident132 Ų132104.2 Ų104.286%0.85757%0.573SS**SBendtrans-69-1.6-176.628.7-36.2000114.2
212G58.6Low73.4Confident57 Ų57111.2 Ų111.259%0.58861%0.605SS**SBendtrans-103.685.9177.700000112.7K210K210-G212 PolarHBondContact O-N 3.02Å
213K53.3Low71.6Confident196 Ų196115.6 Ų115.685%0.85263%0.627SS**  trans46.684.2161.6-57.2164.4-172.3163.60113.8S215K213-S215 VanDerWaalsContact C-N 3.32Å; K213-S215 PolarHBondContact O-N 2.98Å
214S54.9Low69.9Low122 Ų122119.6 Ų119.685%0.85365%0.65SS**  trans-55.2100.6159.943.90000108.5R216S214-R216 PolarHBondContact O-N 3.12Å
215S50Low68Low108 Ų108121.9 Ų121.976%0.75567%0.667SS**  trans-68.899.9-167.7-172.90000108.1K213 R217K213-S215 VanDerWaalsContact C-N 3.32Å; K213-S215 PolarHBondContact O-N 2.98Å; S215-R217 PolarHBondContact O-N 2.99Å
216R64.4Low66.2Low230 Ų230127.7 Ų127.787%0.86869%0.691SS**  trans-48.6108172.2173.6-178.3-75.8-131.9-0.8106.2S214 R218S214-R216 PolarHBondContact O-N 3.12Å; R216-R218 PolarHBondContact O-N 2.92Å
217R66.1Low64.4Low237 Ų237134.8 Ų134.889%0.89472%0.72SS**  trans-51112.4-179.6-73.4-175.6174-164.4-0.6106.4S215 A219S215-R217 PolarHBondContact O-N 2.99Å; R217-A219 PolarHBondContact O-N 2.92Å
218R66.7Low62.7Low236 Ų236135.1 Ų135.189%0.89172%0.715SS**PPolyproline II helixtrans-58.4128.8167.3-59.1-175.3-159.4148.75.1104.7R216 G220R216-R218 PolarHBondContact O-N 2.92Å; R218-G220 PolarHBondContact O-N 2.86Å
219A74Confident61.3Low96 Ų96136.4 Ų136.479%0.79372%0.717SS**PPolyproline II helixtrans-51.1133.7170.300000107.7R217 S221R217-A219 PolarHBondContact O-N 2.92Å; A219-S221 PolarHBondContact O-N 3.32Å
220G65.6Low60.5Low70 Ų70144.5 Ų144.572%0.72275%0.748SS**PPolyproline II helixtrans-54.3129.6-179.400000109.1R218 M222R218-G220 PolarHBondContact O-N 2.86Å; G220-M222 PolarHBondContact O-N 3.5Å
221S67Low60Low117 Ų117146.9 Ų146.982%0.81876%0.758SS**  trans-62.7103179.7-179.90000108.6A219 E223A219-S221 PolarHBondContact O-N 3.32Å; S221-E223 PolarHBondContact O-N 3.15Å
222M64.1Low59.6Low167 Ų167150.6 Ų150.682%0.82376%0.755SS**  trans-59.2121.6-170.5-164.9160.965.200110.3G220 I224G220-M222 PolarHBondContact O-N 3.5Å; M222-I224 PolarHBondContact O-N 3.1Å
223E59.5Low59.3Low129 Ų129150.5 Ų150.560%0.60375%0.753SS**  trans-73.486-169.1-71.9-178.3-16000112.8S221 S225 K226S221-E223 PolarHBondContact O-N 3.15Å; E223-S225 PolarHBondContact O-N 3.47Å; E223-S225 VanDerWaalsContact O-N 3.07Å; E223-K226 WeakPolarHBondContact OE2-CE 3.37Å; E223-K226 IonicContact OE2-NZ 3.58Å
224I62.5Low59.3Low124 Ų124152.1 Ų152.164%0.63675%0.754SS**G310 helixtrans-63.9-11.4174.2-64.1167.6000112.1M222 K226 L228M222-I224 PolarHBondContact O-N 3.1Å; I224-K226 PolarHBondContact O-N 3.14Å; I224-L228 HydrophobicContact CG2-CD1 4.01Å
225S57.4Low59.2Low72 Ų72151.9 Ų151.950%0.50375%0.747SS.*G310 helixtrans-52.5-46.2-178.5-49.10000114.4E223 K227 L228E223-S225 PolarHBondContact O-N 3.47Å; E223-S225 VanDerWaalsContact O-N 3.07Å; S225-K227 PolarHBondContact O-N 3.01Å; S225-L228 PolarHBondContact O-N 3.23Å
226K57.4Low59.6Low155 Ų155156.3 Ų156.367%0.67475%0.747SS**G310 helixtrans-69.3-7.5-166.8-65.8179.7-175.1168.90115.1E223 I224E223-K226 WeakPolarHBondContact OE2-CE 3.37Å; E223-K226 IonicContact OE2-NZ 3.58Å; I224-K226 PolarHBondContact O-N 3.14Å
227K55.9Low59.2Low194 Ų194153.1 Ų153.184%0.84374%0.74SS**G310 helixtrans-105.9-11173-121.2178.8-176.7177.50114.6S225S225-K227 PolarHBondContact O-N 3.01Å
228L54.6Low58.7Low112 Ų112149.6 Ų149.659%0.58673%0.731SS**THydrogen-bonded Turntrans-97.3-30.5-174.6-70.4175.9000114.3I224 S225 K230 K231I224-L228 HydrophobicContact CG2-CD1 4.01Å; S225-L228 PolarHBondContact O-N 3.23Å; L228-K230 VanDerWaalsContact C-N 3.31Å; L228-K230 PolarHBondContact O-N 3.24Å; L228-K231 PolarHBondContact O-N 2.79Å
229E53.9Low58.3Low146 Ų146145.4 Ų145.468%0.68272%0.723SS**Hα-helixtrans-59.8-40.9179.3-67.2-176.1102.800112.5K231 R232E229-K231 PolarHBondContact O-N 2.72Å; E229-R232 PolarHBondContact O-N 2.86Å; E229-R232 VanDerWaalsContact O-N 3.09Å
230K56.3Low57.5Low199 Ų199146.8 Ų146.887%0.86571%0.714SS**Hα-helixtrans-60.6-11.4-180-75.1-176.4174.5178.40114.7L228L228-K230 VanDerWaalsContact C-N 3.31Å; L228-K230 PolarHBondContact O-N 3.24Å
231K54.5Low57Low186 Ų186150 Ų15081%0.80971%0.71SS**Hα-helixtrans-103.7-14.7175.9-155.5169.4-177.8179.20114.5L228 E229L228-K231 PolarHBondContact O-N 2.79Å; E229-K231 PolarHBondContact O-N 2.72Å
232R54.3Low56.4Low210 Ų210150.6 Ų150.679%0.79270%0.703SS**Hα-helixtrans-81.6-15.6179.4-66.8-173.773.7133.2-2114.2E229 R234E229-R232 PolarHBondContact O-N 2.86Å; E229-R232 VanDerWaalsContact O-N 3.09Å; R232-R234 PolarHBondContact O-N 2.97Å
233G53Low56.3Low54 Ų54152.8 Ų152.856%0.55770%0.702SS**Hα-helixtrans-62.3-30.7-174.900000116.2V235G233-V235 PolarHBondContact O-N 3.45Å
234R52.9Low56.3Low231 Ų231151.3 Ų151.387%0.87271%0.706SS**Hα-helixtrans-72-27.3-175.6-72.3-168.2-178.1-173.31.2114.5R232R232-R234 PolarHBondContact O-N 2.97Å
235V53.8Low56Low117 Ų117151 Ų15171%0.70971%0.71SS**Hα-helixtrans-78.9-41.9-178179.80000111.2G233 K237 K238G233-V235 PolarHBondContact O-N 3.45Å; V235-K237 VanDerWaalsContact C-N 3.31Å; V235-K237 PolarHBondContact O-N 2.95Å; V235-K238 PolarHBondContact O-N 3.31Å; V235-K238 VanDerWaalsContact O-N 3.08Å
236R58.6Low55.6Low200 Ų200153.2 Ų153.276%0.75573%0.725SS**Hα-helixtrans-61.7-38.1-176.5-149176.2-167.41753.3112.2K238 M239 E240R236-K238 PolarHBondContact O-N 3.4Å; R236-M239 PolarHBondContact O-N 3.31Å; R236-M239 VanDerWaalsContact O-N 3.08Å; R236-E240 PolarHBondContact O-N 3.39Å
237K55.9Low54.8Low163 Ų163149.5 Ų149.571%0.70973%0.731SS**Hα-helixtrans-63.4-23.5177.3-167.5166.9-176.9174.50114V235V235-K237 VanDerWaalsContact C-N 3.31Å; V235-K237 PolarHBondContact O-N 2.95Å
238K54.9Low54Low163 Ų163143.6 Ų143.671%0.70973%0.725SS**Hα-helixtrans-83.2-20.9174.7-169.7164.4-178.6175.60113.3V235 R236V235-K238 PolarHBondContact O-N 3.31Å; V235-K238 VanDerWaalsContact O-N 3.08Å; R236-K238 PolarHBondContact O-N 3.4Å
239M59.1Low53.5Low148 Ų148144.4 Ų144.473%0.72974%0.735SS**Hα-helixtrans-77.1-41172.2-166.270.9-177.700111.3R236 Q241 L242R236-M239 PolarHBondContact O-N 3.31Å; R236-M239 VanDerWaalsContact O-N 3.08Å; M239-Q241 VanDerWaalsContact C-N 3.32Å; M239-Q241 PolarHBondContact O-N 3.46Å; M239-L242 PolarHBondContact O-N 2.86Å
240E56.3Low53.1Low126 Ų126145.2 Ų145.259%0.58974%0.743SS**Hα-helixtrans-55.7-46177.7-147.874.3-123.900111.9R236 L242 R243R236-E240 PolarHBondContact O-N 3.39Å; E240-L242 PolarHBondContact O-N 2.83Å; E240-R243 WeakPolarHBondContact O-CB 3.5Å; E240-R243 PolarHBondContact O-N 3.48Å
241Q54.9Low52.5Low137 Ų137139.9 Ų139.964%0.6474%0.736SS**Hα-helixtrans-72.5-10.8-172.8-161170.79.200114.3M239 S244M239-Q241 VanDerWaalsContact C-N 3.32Å; M239-Q241 PolarHBondContact O-N 3.46Å; Q241-S244 PolarHBondContact O-OG 3.06Å
242L56.1Low51.9Low129 Ų129139.3 Ų139.368%0.67574%0.742SS**Hα-helixtrans-89.2-16.5171-77.4165.5000112.7M239 E240M239-L242 PolarHBondContact O-N 2.86Å; E240-L242 PolarHBondContact O-N 2.83Å
243R61.1Low51.3Low213 Ų213132.4 Ų132.480%0.80474%0.736SS**Hα-helixtrans-83.3-16-179.3-158.5174.2-170.9177.63.8113.4E240E240-R243 WeakPolarHBondContact O-CB 3.5Å; E240-R243 PolarHBondContact O-N 3.48Å
244S58.7Low50.8Low99 Ų99133.1 Ų133.169%0.69274%0.743SS**THydrogen-bonded Turntrans-93.614-174.161.40000115.1Q241Q241-S244 PolarHBondContact O-OG 3.06Å
245V57.5Low50.5Low117 Ų117129.9 Ų129.971%0.70974%0.742SS**SBendtrans-113.2-26-173.3-1780000113.3G247V245-G247 PolarHBondContact O-N 3.46Å
246S48.9Very low50.1Low119 Ų119129.2 Ų129.283%0.83274%0.742SS**  trans-94.390.1175.6-60.10000111.2
247G39.2Very low49.4Very low76 Ų76125.9 Ų125.978%0.78474%0.743SS**  trans-109.5147.3169.200000111.7V245V245-G247 PolarHBondContact O-N 3.46Å
248G40.4Very low48.9Very low71 Ų71125.7 Ų125.773%0.73275%0.749SS**  trans92.4146.9-171.400000112.5
249T44.1Very low48.2Very low128 Ų128123.3 Ų123.379%0.78575%0.753SS**  cis-158156.7-0.3-34.40000109.4
250L44.7Very low47.4Very low163 Ų163122.4 Ų122.485%0.85376%0.759SS**  trans68.5163.4173.2-48.8170.8000115.5
251A43.1Very low46.5Very low87 Ų87121.8 Ų121.872%0.71977%0.768SS**  167.2141.7-53.700000108.6
252D43Very low46Very low175 Ų175122.7 Ų122.794%0.93678%0.776SS**  trans72.3158.3167.4-157.223.6000119.5
253G41.8Very low45.4Very low64 Ų64121.7 Ų121.766%0.6678%0.78SS**  trans99.187.7149.600000120.6
254G41.6Very low44.2Very low69 Ų69120.2 Ų120.271%0.71178%0.782SS**  82.1106.9125.600000122.5
255I48.3Very low43.3Very low164 Ų164120.5 Ų120.584%0.84178%0.784SS**  trans44.4116.1133.859.2163.1000123.4
256S43.9Very low42.8Very low102 Ų102119.3 Ų119.371%0.71378%0.781SS**  67.2107.5122.2-57.10000124.4
257V44.3Very low42.5Very low130 Ų130120.2 Ų120.279%0.78878%0.776SS**  74.4144.3121.8-177.30000119.7
258L44.5Very low42.7Very low159 Ų159123.4 Ų123.483%0.83278%0.775SS**  trans81.6109.3179.1-51.6-170.7000117.9
259S41.3Very low42.9Very low114 Ų114127.6 Ų127.680%0.79778%0.779SS**  trans-84.8154145.8-49.30000108.9
260P42Very low42.9Very low129 Ų129128.9 Ų128.984%0.83878%0.781SS**  -140175.592.936.9-22.4000114.3
261S37.6Very low42.7Very low113 Ų113124.4 Ų124.479%0.7977%0.774SS**  trans-81.8136.9-173.9-177.80000113.7
262I43.7Very low42.4Very low156 Ų156123.8 Ų123.880%0.878%0.777SS**  trans-133.8160.1146.659.7169.6000109.9
263S43.4Very low42.4Very low108 Ų108120.8 Ų120.876%0.75578%0.776SS**  trans-91148.1-179.2-47.70000111.9
264E35.5Very low42.2Very low181 Ų181121.8 Ų121.885%0.84679%0.786SS**  trans-169.2138.1142.8-100.8161.3144.700106.3
265S41Very low42Very low106 Ų106122.5 Ų122.574%0.74179%0.794SS**  93.816651.4-158.70000112.1
266S46.8Very low41.5Very low91 Ų91118.6 Ų118.664%0.63679%0.794SS**  trans70.6115.4178.1-70.30000116.8
267D42.3Very low41.3Very low139 Ų139117.3 Ų117.374%0.74380%0.797SS**  99155.670.3-68.6-43.6000108.9
268L44.1Very low41.3Very low143 Ų143116.8 Ų116.875%0.74980%0.799SS**  cis-154.2168.335.2-71.8157000111.6
269L43.5Very low41.3Very low158 Ų158114.3 Ų114.383%0.82780%0.795SS**  trans57.615114673.783.7000120
270D44.6Very low41.7Very low155 Ų155116.5 Ų116.583%0.82980%0.795SS**  cis-144.9176.83.2-1623.7000110.8
271G41.2Very low42.2Very low69 Ų69117.8 Ų117.871%0.71179%0.792SS**  trans-77.8-175.5173.400000114.6
272G36.9Very low42.7Very low74 Ų74117.6 Ų117.676%0.76379%0.787SS**  cis170.6174.8-3.200000112.5
273A42Very low42.7Very low112 Ų112119.1 Ų119.193%0.92679%0.789SS**  trans67123168.900000120.7
274G38.2Very low42.6Very low85 Ų85119.1 Ų119.188%0.87678%0.784SS**  trans86.4136.8159.700000117
275G36.4Very low42.9Very low84 Ų84118.8 Ų118.887%0.86679%0.787SS**  cis164.7141.4-11.800000113.6
276G37.6Very low42.8Very low83 Ų83119 Ų11986%0.85679%0.789SS**  trans105.8117.7161.300000118.4
277G40.3Very low42.7Very low75 Ų75120.4 Ų120.477%0.77380%0.796SS**  trans80.9135.916200000117.1
278S45.4Very low42.6Very low119 Ų119118.6 Ų118.683%0.83280%0.8SS**  cis-157.9147.8-4.3-720000111.3
279S43.5Very low42.3Very low107 Ų107119.2 Ų119.275%0.74880%0.804SS**  trans44.5105.5158.7-140.30000119.1
280M50Low42.1Very low160 Ų160119.3 Ų119.379%0.78881%0.806SS**  58.3126.580.2-67.5-170.9172.600114.8
281M52Low41.8Very low156 Ų156120.9 Ų120.977%0.76881%0.805SS**  cis-145.3163.21.6-80.7-51.4-165.600112.3
282P49Very low41.9Very low108 Ų108129.2 Ų129.270%0.70182%0.815SS**  trans-111.1170178.741.4-34000116
283F43.4Very low42.2Very low188 Ų188134.4 Ų134.483%0.82582%0.82SS**  trans-139135.8153.265.6-82000107.4
284T41.4Very low42Very low109 Ų109140.2 Ų140.267%0.66982%0.817SS**  cis71.1121.436.976.20000112.8
285L40.3Very low42.1Very low173 Ų173141.8 Ų141.891%0.90682%0.815SS**  cis-135.9-178.918.1-75.5173.4000114
286S39.3Very low42.2Very low112 Ų112145.4 Ų145.478%0.78382%0.815SS**  trans-103.2-158-174.9-157.20000111.6
287P45.2Very low42.4Very low120 Ų120147.4 Ų147.478%0.77982%0.816SS**  -126.5170.7-105.141.9-26.1000116
288A40.3Very low42.6Very low101 Ų101148.1 Ų148.184%0.83581%0.814SS**  trans-148.3155.5160.400000112.1
289N38.9Very low42.7Very low155 Ų155148.8 Ų148.883%0.82981%0.813SS**  trans-58147.4-172.7-56-35.1000114.8
290D39.3Very low42.6Very low160 Ų160148 Ų14886%0.85681%0.807SS**  -159.9155.3105.4-136.4-32.9000114.5
291F37.5Very low42.3Very low188 Ų188146.1 Ų146.183%0.82581%0.81SS**  trans-92.4114.8-176.2-98.1-108.8000112.5
292R43.3Very low41.8Very low244 Ų244148.5 Ų148.592%0.92181%0.812SS**  trans-139148.8154.9-61.9-154.696.6154.711.5113.3
293H42.5Very low41.5Very low184 Ų184148.1 Ų148.185%0.85281%0.812SS**  trans-78.7144.2-166.2-71.6-105.6000115.1
294R37.4Very low41.5Very low233 Ų233146.2 Ų146.288%0.87982%0.815SS**  trans-61.7142.7160.1-79.9176.2155.1-136.2-0.6111.8
295S41.5Very low41.4Very low118 Ų118144.9 Ų144.983%0.82582%0.823SS**  trans-157.388.9154.1-81.10000111.7
296N37.8Very low41.1Very low161 Ų161140.5 Ų140.586%0.86182%0.82SS**  trans27.3100162.5-61.83.7000119.6
297S42.3Very low41.1Very low125 Ų125140.3 Ų140.387%0.87483%0.825SS**  trans-135.8123.713752.10000109.5
298A43.8Very low40.9Very low89 Ų89140 Ų14074%0.73682%0.824SS**  trans-156.5118.417800000106.9
299V48.4Very low41Very low134 Ų134143.1 Ų143.181%0.81283%0.826SS**  80.5131.997.298.40000111.2
300S41.8Very low40.9Very low89 Ų89141.3 Ų141.362%0.62283%0.826SS**  cis-131.3158.58.2-38.60000108.8
301S42.2Very low41.1Very low121 Ų121139.2 Ų139.285%0.84682%0.82SS**  cis58.282.146.2-65.90000114.9
302Y43.5Very low41Very low206 Ų206138.8 Ų138.881%0.80882%0.818SS**  trans-140.9108.1147.564.3-84.9000105.9
303S41.4Very low40.7Very low101 Ų101137.3 Ų137.371%0.70681%0.814SS**  63.489.37973.10000114.3
304V42.8Very low40.2Very low148 Ų148136.1 Ų136.190%0.89781%0.809SS**  trans49.1116.2136-175.40000119.2
305G39.3Very low40.4Very low81 Ų81129.5 Ų129.584%0.83580%0.799SS**  trans72.7101.5130.400000118.9
306G34.6Very low40Very low81 Ų81131.4 Ų131.484%0.83579%0.794SS**  trans172.6121.5165.400000111.6
307A38.9Very low39.9Very low108 Ų108132.8 Ų132.889%0.89379%0.793SS**  trans-98.5130-178.400000111.7
308C40.7Very low39.8Very low113 Ų113133.5 Ų133.576%0.76478%0.782SS**  trans-161.5120.515756.80000113.9
309L43.5Very low39.5Very low167 Ų167135.5 Ų135.587%0.87478%0.781SS**  trans62112.7140.8-54.6173.9000120.2
310S36.7Very low38.9Very low117 Ų117140.9 Ų140.982%0.81879%0.786SS**PPolyproline II helixtrans-69.3152.1160.8-41.90000112.4
311P42.4Very low38.8Very low115 Ų115141.4 Ų141.475%0.74779%0.786SS**PPolyproline II helixtrans-101.7132.9136-1431.1000110.6
312K35.5Very low38.5Very low179 Ų179143.2 Ų143.278%0.77879%0.786SS**PPolyproline II helixtrans-61.2135.8160.8-98.1-167.9164.9-152.90108.5E314K312-E314 IonicContact NZ-OE2 2.75Å; K312-E314 PolarHBondContact NZ-OE2 3.32Å
313Y37.8Very low38.2Very low213 Ų213141.2 Ų141.284%0.83579%0.789SS**  trans-121.4128.1151.562.5-89.9000107.8
314E31.3Very low38Very low159 Ų159142.6 Ų142.674%0.74379%0.793SS**  trans-131.9100.6-176.6-163.2163.6154.200105.1K312K312-E314 IonicContact NZ-OE2 2.75Å; K312-E314 PolarHBondContact NZ-OE2 3.32Å
315S41.4Very low37.8Very low95 Ų95144.3 Ų144.366%0.66479%0.791SS**  trans-145.4102.1-172.860.80000110
316H35Very low37.7Very low157 Ų157144.7 Ų144.773%0.72778%0.781SS**  trans-24.7135161.9-124.1-118.5000114.2E318H316-E318 IonicContact CE1-OE2 2.99Å; H316-E318 PolarHBondContact CE1-OE2 3.18Å; H316-E318 IonicContact ND1-OE2 3.78Å; H316-E318 IonicContact NE2-OE2 3Å
317F35Very low37.9Very low191 Ų191148.2 Ų148.284%0.83878%0.778SS**  trans-138.276.4156.4-172.4-98.4000107.9
318E40.1Very low37.9Very low139 Ų139150.4 Ų150.465%0.6577%0.769SS**  trans-103.9160.8166.4-68-165.6140.700109.5H316H316-E318 IonicContact CE1-OE2 2.99Å; H316-E318 PolarHBondContact CE1-OE2 3.18Å; H316-E318 IonicContact ND1-OE2 3.78Å; H316-E318 IonicContact NE2-OE2 3Å
319D36.8Very low37.6Very low131 Ų131148.4 Ų148.470%0.70177%0.768SS**  trans50.4113.7175.3-69.3-17.3000119.8V321D319-V321 HydrophobicContact CB-CG2 4.37Å
320W36.3Very low37.6Very low247 Ų247146.7 Ų146.794%0.93677%0.767SS**  trans-129.465148.8-14961.8000109.6
321V39.4Very low37.7Very low100 Ų100147.3 Ų147.361%0.60677%0.771SS**  trans-131158.9172.3-68.10000109.7D319D319-V321 HydrophobicContact CB-CG2 4.37Å
322D35.5Very low37.5Very low159 Ų159145.6 Ų145.685%0.8577%0.774SS**  trans54.785171.3-63.4-52.7000118.6
323D37.4Very low37.5Very low164 Ų164140.5 Ų140.588%0.87777%0.773SS**  trans-127.945.5163.4-166.310.7000111.6
324V38.3Very low37.7Very low131 Ų131138.6 Ų138.679%0.79477%0.771SS**  trans-148.970.7173.5-162.70000113
325Q37.2Very low38.2Very low183 Ų183135.9 Ų135.986%0.85577%0.767SS**  trans-158.7132.3157.1-161.3649.100114
326S37.1Very low38Very low89 Ų89141.4 Ų141.462%0.62278%0.775SS**  trans69.4140.8173.7-122.70000115.2
327M40.3Very low38.2Very low156 Ų156138.2 Ų138.277%0.76877%0.771SS**  cis-144.8113.533-82.3-164.8160.700115
328H37.6Very low38.5Very low153 Ų153133.4 Ų133.471%0.70877%0.766SS**  trans9.6134.7146.145.452.2000122.8
329G34.5Very low38.7Very low72 Ų72134.1 Ų134.174%0.74277%0.769SS**  trans-154.6155.8160.300000111.3
330P44.9Very low38.9Very low131 Ų131134.5 Ų134.585%0.85177%0.77SS**  trans-126.2176.9-138.842.5-31.5000118.4
331S38Very low39.5Very low130 Ų130127.9 Ų127.991%0.90976%0.757SS**  trans86.5124.7156.7-165.20000119.6
332G37.8Very low39.8Very low78 Ų78128.1 Ų128.180%0.80475%0.752SS**  trans145.297.8148.600000118.7
333G36.9Very low40.1Very low72 Ų72124.2 Ų124.274%0.74274%0.737SS**  trans98.6113.7137.200000120.7
334E41.3Very low40.2Very low173 Ų173123 Ų12381%0.80873%0.728SS**  trans67.7139.2148.6-56.2-49.296.100123.5
335P40.8Very low40.7Very low102 Ų102119.1 Ų119.166%0.66271%0.706SS**  trans-108.2132.6-178.138.3-28000113.6
336Y38.3Very low41Very low212 Ų212116.6 Ų116.683%0.83169%0.694SS**  trans-136.9125.9167.9-88.1-76000115
337S39.6Very low41.1Very low90 Ų90116.8 Ų116.863%0.62970%0.695SS**  trans61.794.9148.9-54.10000119.2E339S337-E339 PolarHBondContact O-N 3.26Å
338A41.3Very low41.1Very low89 Ų89117 Ų11774%0.73670%0.697SS**THydrogen-bonded Turntrans-72.718169.900000115.2
339E42.6Very low41.2Very low155 Ų155116.2 Ų116.272%0.72470%0.697SS**Hα-helixtrans-78.7-24.8-176.9-68.6-155.1122.500114.2S337 V341 E342 S343S337-E339 PolarHBondContact O-N 3.26Å; E339-V341 VanDerWaalsContact C-N 3.35Å; E339-V341 PolarHBondContact O-N 2.72Å; E339-E342 PolarHBondContact O-N 2.68Å; E339-S343 PolarHBondContact O-N 3.38Å
340L42.1Very low41.1Very low138 Ų138120.7 Ų120.772%0.72370%0.703SS**Hα-helixtrans-71.8-26.8-172.4-115.7169.3000113.7
341V49Very low41.2Very low108 Ų108121.5 Ų121.566%0.65571%0.706SS**Hα-helixtrans-76.9-31.8172.9690000111.7E339 M344 S345E339-V341 VanDerWaalsContact C-N 3.35Å; E339-V341 PolarHBondContact O-N 2.72Å; V341-M344 PolarHBondContact O-N 2.89Å; V341-S345 PolarHBondContact O-N 2.84Å
342E44.4Very low41.4Very low105 Ų105123.6 Ų123.649%0.49170%0.701SS.*Hα-helixtrans-75.7-28.1176.3-149.561.1-106.600111.9E339 M344 S345 H346E339-E342 PolarHBondContact O-N 2.68Å; E342-M344 VanDerWaalsContact C-N 3.26Å; E342-M344 PolarHBondContact O-N 3.24Å; E342-S345 PolarHBondContact O-N 3.37Å; E342-S345 PolarHBondContact O-OG 3.37Å; E342-S345 PolarHBondContact OE1-OG 2.84Å; E342-H346 PolarHBondContact O-N 2.89Å; E342-H346 PolarHBondContact O-ND1 3.38Å; E342-H346 IonicContact OE1-CE1 2.72Å; E342-H346 IonicContact OE1-ND1 3.37Å
343S42.6Very low41.9Very low77 Ų77125 Ų12554%0.53870%0.696SS.*Hα-helixtrans-61-35.7170.3-167.90000112.3E339 S347E339-S343 PolarHBondContact O-N 3.38Å; S343-S347 PolarHBondContact O-N 3.34Å; S343-S347 PolarHBondContact O-OG 2.96Å
344M39.5Very low42.7Very low139 Ų139127.1 Ų127.169%0.68570%0.697SS**Hα-helixtrans-78.7-22.2178.8-66.2-172.270.100114.3V341 E342 S347V341-M344 PolarHBondContact O-N 2.89Å; E342-M344 VanDerWaalsContact C-N 3.26Å; E342-M344 PolarHBondContact O-N 3.24Å; M344-S347 PolarHBondContact O-OG 3.21Å
345S48.7Very low43.1Very low50 Ų50123.4 Ų123.435%0.3569%0.688SS.*Hα-helixtrans-75.7-34.8173.165.10000111.6V341 E342V341-S345 PolarHBondContact O-N 2.84Å; E342-S345 PolarHBondContact O-N 3.37Å; E342-S345 PolarHBondContact O-OG 3.37Å; E342-S345 PolarHBondContact OE1-OG 2.84Å
346H42.6Very low43.2Very low130 Ų130124.8 Ų124.860%0.60270%0.697SS**Hα-helixtrans-81.9-27.3-176.8-70.675.2000113.7E342 M348 N349E342-H346 PolarHBondContact O-N 2.89Å; E342-H346 PolarHBondContact O-ND1 3.38Å; E342-H346 IonicContact OE1-CE1 2.72Å; E342-H346 IonicContact OE1-ND1 3.37Å; H346-M348 PolarHBondContact O-N 2.82Å; H346-M348 VanDerWaalsContact O-N 3.11Å; H346-N349 PolarHBondContact O-N 3.33Å
347S39.4Very low43.4Very low92 Ų92124.6 Ų124.664%0.64370%0.696SS**THydrogen-bonded Turntrans-68-6.3176.255.30000115.1S343 M344S343-S347 PolarHBondContact O-N 3.34Å; S343-S347 PolarHBondContact O-OG 2.96Å; M344-S347 PolarHBondContact O-OG 3.21Å
348M40.1Very low43.7Very low161 Ų161126.2 Ų126.279%0.79370%0.704SS**THydrogen-bonded Turntrans-95.60.6177.8-67.3-74.2-84.100113.6H346H346-M348 PolarHBondContact O-N 2.82Å; H346-M348 VanDerWaalsContact O-N 3.11Å
349N41.2Very low43.5Very low136 Ų136126 Ų12673%0.72770%0.697SS**SBendtrans-125.452-175.7-82.2-73.1000113.4H346H346-N349 PolarHBondContact O-N 3.33Å
350L32.7Very low43.1Very low166 Ų166123.7 Ų123.787%0.86969%0.69SS**  trans-147.349.2169.8-143.274.7000113.9E352L350-E352 PolarHBondContact O-N 3.43Å
351V45.9Very low42.9Very low148 Ų148121.6 Ų121.690%0.89769%0.692SS**  trans-85.5102.7162.1150.60000108.5
352E41.7Very low42.3Very low174 Ų174120.1 Ų120.181%0.81369%0.692SS**PPolyproline II helixtrans-72.1130.4177.8-167.3177.3138.500110.4L350L350-E352 PolarHBondContact O-N 3.43Å
353P49.9Very low42.3Very low108 Ų108123.4 Ų123.470%0.70171%0.707SS**PPolyproline II helixtrans-75.4128.418029.5-33.1000110.8
354P53.8Low42Very low116 Ų116124.5 Ų124.575%0.75371%0.712SS**PPolyproline II helixtrans-67146.5179.327.8-34.8000111.8
355P48.6Very low42Very low96 Ų96127.9 Ų127.962%0.62372%0.723SS**PPolyproline II helixtrans-70145.2-177.128.7-35.5000112.4Y357P355-Y357 PolarHBondContact O-N 3.38Å
356P42.7Very low41.4Very low130 Ų130132.7 Ų132.784%0.84475%0.745SS**PPolyproline II helixtrans-79.1117.2179.131.1-33.3000111.5
357Y43.2Very low41Very low209 Ų209135.1 Ų135.182%0.8275%0.754SS**PPolyproline II helixtrans-77.4139.1169.4-78.2-89.6000111.3P355P355-Y357 PolarHBondContact O-N 3.38Å
358P45.3Very low40.9Very low124 Ų124135.3 Ų135.381%0.80576%0.755SS**PPolyproline II helixtrans-72.4150.9179.730.4-35.2000112.1
359S37.6Very low41Very low83 Ų83131.4 Ų131.458%0.5875%0.748SS**PPolyproline II helixtrans-85.4157175.4-68.70000112.8T468S359-T468 WeakPolarHBondContact CB-OG1 3.13Å
360N34.6Very low41.2Very low108 Ų108133.9 Ų133.958%0.57876%0.755SS**PPolyproline II helixtrans-72.3145-169.5-164.3-12000112.8Q466N360-Q466 PolarHBondContact ND2-OE1 3.23Å; N360-Q466 VanDerWaalsContact ND2-OE1 3.13Å
361A38.2Very low41.8Very low93 Ų93133.4 Ų133.477%0.76975%0.754SS**  trans-140.8122.5170.300000109.1
362A36.5Very low41.7Very low78 Ų78133.6 Ų133.665%0.64575%0.75SS**  trans-77.2150.7-166.900000114.3
363Q43.4Very low41.7Very low174 Ų174128.3 Ų128.381%0.81374%0.742SS**  -148.7140.8124.1-77.9-47.1-60.600109.9
364P37.1Very low41.6Very low100 Ų100129.8 Ų129.865%0.64975%0.749SS**  trans-101.6140.6174.536.4-29.9000112.5
365F39.6Very low41.2Very low209 Ų209129.6 Ų129.692%0.91775%0.747SS**  trans-149.9173.8158.1-95.6-66000111.3
366L35.8Very low40.8Very low152 Ų152131.9 Ų131.980%0.79676%0.76SS**  trans-131.1144-138.2-116.8162000115.2
367F34Very low40.6Very low181 Ų181133.7 Ų133.779%0.79476%0.757SS**  trans83.3163143.6-147.7-107.3000120.8
368S37.6Very low40.4Very low95 Ų95128.5 Ų128.566%0.66475%0.746SS**  trans68.1126.6178.5-810000116.3
369A42.3Very low40Very low79 Ų79130.8 Ų130.865%0.65375%0.747SS**  cis65.1132.914.300000113.5
370E44.9Very low39.8Very low188 Ų188136.8 Ų136.888%0.87977%0.765SS**  cis-148.8169.712.5-51.6165.3133.700107.2
371D45.6Very low39.8Very low156 Ų156135.7 Ų135.783%0.83477%0.771SS**  cis-160.8-171.6-3.4-153.2-9.3000110.4
372D44.1Very low39.7Very low152 Ų152137.2 Ų137.281%0.81378%0.776SS**  trans77.9153.7153.1-134.7-19000119.8
373G41.9Very low40.2Very low63 Ų63139 Ų13965%0.64978%0.781SS**  trans161.4-10.7168.600000125.9
374V47.7Very low40Very low140 Ų140134.5 Ų134.585%0.84877%0.773SS**  trans64.7149.4166.1174.80000118.1
375P45.4Very low39.9Very low111 Ų111138 Ų13872%0.72178%0.779SS**  trans-113.8166.1-155.840.9-32.3000117.3
376T39.4Very low39.6Very low145 Ų145137.6 Ų137.689%0.8977%0.772SS**  trans-161.1155.7146.11.70000114.1
377H39Very low39.7Very low168 Ų168138 Ų13878%0.77877%0.774SS**  trans7894.7148.9-149.7-108.6000121.6
378V38Very low40Very low99 Ų99136 Ų13660%0.678%0.777SS**  96.8151.7122.11540000122.4
379Q38.3Very low39.9Very low173 Ų173137.5 Ų137.581%0.80878%0.782SS**  trans75.198.7166.8-88.2151.934.400119.1A381Q379-A381 PolarHBondContact O-N 3.36Å; Q379-A381 VanDerWaalsContact O-N 3.15Å
380H31.9Very low39.5Very low208 Ų208138.7 Ų138.796%0.96378%0.777SS**  trans-60.7107.4152.5-80.9-124.5000109.9
381A36.3Very low39.4Very low86 Ų86135.5 Ų135.571%0.71177%0.771SS**  trans-126.2105.8168.800000109.3Q379Q379-A381 PolarHBondContact O-N 3.36Å; Q379-A381 VanDerWaalsContact O-N 3.15Å
382S35.8Very low39.4Very low124 Ų124136.3 Ų136.387%0.86777%0.769SS**PPolyproline II helixtrans-75.5127178.3-170.10000110.2
383P46.8Very low39.6Very low115 Ų115136 Ų13675%0.74776%0.763SS**PPolyproline II helixtrans-72154.6-172.927.7-34.4000113.9
384A38.8Very low39.8Very low80 Ų80140.1 Ų140.166%0.66177%0.765SS**PPolyproline II helixtrans-53.9140.6166.900000110.6
385K34.9Very low39.7Very low174 Ų174140.9 Ų140.976%0.75776%0.76SS**  55.5138.866.8-66.5-175.2179.1177.90114.2
386Y32.5Very low39.8Very low200 Ų200143.6 Ų143.678%0.78476%0.763SS**  trans93.3157.2164.8-51.7-62.9000118.8
387L39.8Very low40.3Very low161 Ų161144.7 Ų144.784%0.84376%0.758SS**  trans71.457.1172.8-66163.3000118.6
388V40.2Very low40.7Very low140 Ų140144.6 Ų144.685%0.84876%0.758SS**  trans-114.685.8138.7-179.80000108.6
389V35.5Very low41Very low125 Ų125147.7 Ų147.776%0.75877%0.766SS**  trans-143.5144.8170.1177.40000107.3
390N32.5Very low41.2Very low105 Ų105144 Ų14456%0.56176%0.757SS**  trans76.252.4172.6-154.217.4000118.4
391T43.9Very low42Very low121 Ų121142.1 Ų142.174%0.74275%0.748SS**SBendtrans-112.7-11159.749.60000114.2
392Q45.2Very low42.7Very low173 Ų173145.9 Ų145.981%0.80875%0.751SS**SBendtrans-100.5-8.8-175-158.1170.186.300114.3
393Q47.4Very low43.6Very low145 Ų145146.8 Ų146.868%0.67874%0.742SS**SBendtrans-91.8-11.4-179.5-161.3164.16700113.8
394Q47Very low44.2Very low150 Ų150148.3 Ų148.370%0.70174%0.739SS**SBendtrans-84.9-14.8179.7-93.3-176.7-1.200115.2
395Q45.7Very low45.2Very low156 Ų156150.9 Ų150.973%0.72974%0.737SS**G310 helixtrans-83.5-14.6-178.4-72.4-175.2-13.400114.3
396Q48.2Very low46.4Very low168 Ų168148.6 Ų148.679%0.78573%0.729SS**G310 helixtrans-87.2-2.9-177.5-71.9-173.2-9.400115.2
397Q49.4Very low47.8Very low168 Ų168144.7 Ų144.779%0.78572%0.718SS**G310 helixtrans-100.3-1.5-177-66.8-1686.300115.6
398Q47.1Very low48.9Very low165 Ų165143.8 Ų143.877%0.77171%0.71SS**SBendtrans-99.4-6.8-175.5-64.6-166.446.200115.6P400Q398-P400 VanDerWaalsContact C-CD 3.48Å
399Q43.5Very low50Low165 Ų165143 Ų14377%0.77170%0.697SS**THydrogen-bonded Turntrans-74.6-21.1-173.2-66.6-166.9-5.500118Q401Q399-Q401 PolarHBondContact O-N 2.93Å
400P43.2Very low51.2Low95 Ų95143 Ų14362%0.61769%0.688SS**Hα-helixtrans-66.7-24.5-177.3-26.135.9000116.9Q398Q398-P400 VanDerWaalsContact C-CD 3.48Å
401Q49.2Very low52.5Low168 Ų168143.5 Ų143.579%0.78569%0.687SS**Hα-helixtrans-84.1-34.1-165.3-72.7-168-4.600115.4Q399 Q403Q399-Q401 PolarHBondContact O-N 2.93Å; Q401-Q403 PolarHBondContact O-N 2.85Å
402Q50.9Low53.1Low165 Ų165141 Ų14177%0.77168%0.678SS**Hα-helixtrans-69.7-33.4-179.3-71-171.7-200112.7Q404 Q405 Q406Q402-Q404 VanDerWaalsContact C-N 3.32Å; Q402-Q404 PolarHBondContact O-N 2.96Å; Q402-Q405 PolarHBondContact O-N 3.22Å; Q402-Q406 PolarHBondContact O-N 2.77Å
403Q55.1Low53.6Low144 Ų144140.1 Ų140.167%0.67367%0.674SS**Hα-helixtrans-68.3-31.4-176.3-158.5169.961.300112.6Q401 Q407Q401-Q403 PolarHBondContact O-N 2.85Å; Q403-Q407 PolarHBondContact O-N 3.41Å
404Q58.3Low53.9Low146 Ų146143.1 Ų143.168%0.68268%0.679SS**Hα-helixtrans-71.3-32.7175.8-169.8167.180.700112.5Q402 Q407 Q408Q402-Q404 VanDerWaalsContact C-N 3.32Å; Q402-Q404 PolarHBondContact O-N 2.96Å; Q404-Q407 PolarHBondContact O-N 3.19Å; Q404-Q408 PolarHBondContact O-N 2.77Å
405Q59.5Low54.2Low135 Ų135143.6 Ų143.663%0.63168%0.682SS**Hα-helixtrans-72.4-34.6176.7-164.7169.561.700112.1Q402 Q408 Q409Q402-Q405 PolarHBondContact O-N 3.22Å; Q405-Q408 PolarHBondContact O-N 2.84Å; Q405-Q409 PolarHBondContact O-N 3.23Å
406Q60.9Low54.2Low126 Ų126144.6 Ų144.659%0.58969%0.688SS**Hα-helixtrans-65.4-39.5172.2-103.4-176.117.400113Q402 Q408 Q409 Q410Q402-Q406 PolarHBondContact O-N 2.77Å; Q406-Q408 VanDerWaalsContact C-N 3.32Å; Q406-Q408 PolarHBondContact O-N 2.8Å; Q406-Q409 PolarHBondContact O-N 3.29Å; Q406-Q410 PolarHBondContact O-N 2.86Å; Q406-Q410 VanDerWaalsContact O-N 3.11Å
407Q61.9Low53.9Low118 Ų118140 Ų14055%0.55169%0.686SS**Hα-helixtrans-61.8-37.5175-80.8-1701.600112.6Q403 Q404 Q410 Q411Q403-Q407 PolarHBondContact O-N 3.41Å; Q404-Q407 PolarHBondContact O-N 3.19Å; Q407-Q410 PolarHBondContact O-N 3.14Å; Q407-Q411 WeakPolarHBondContact O-CG 3.37Å; Q407-Q411 PolarHBondContact O-N 3.26Å
408Q62.4Low53.6Low142 Ų142136.4 Ų136.466%0.66469%0.685SS**Hα-helixtrans-64.5-39176-96-178.99.600112.9Q404 Q405 Q406 Q411 A412Q404-Q408 PolarHBondContact O-N 2.77Å; Q405-Q408 PolarHBondContact O-N 2.84Å; Q406-Q408 VanDerWaalsContact C-N 3.32Å; Q406-Q408 PolarHBondContact O-N 2.8Å; Q408-Q411 PolarHBondContact O-N 3.41Å; Q408-A412 PolarHBondContact O-N 3.11Å
409Q62.8Low53.4Low124 Ų124136.7 Ų136.758%0.57969%0.692SS**Hα-helixtrans-68.2-37.5176.1-68.9-172.20.700112.5Q405 Q406 A412 Q413Q405-Q409 PolarHBondContact O-N 3.23Å; Q406-Q409 PolarHBondContact O-N 3.29Å; Q409-A412 PolarHBondContact O-N 3.31Å; Q409-Q413 PolarHBondContact O-N 3.3Å
410Q61.4Low53.1Low125 Ų125133.6 Ų133.658%0.58469%0.688SS**Hα-helixtrans-67.1-36.4175-68.3-177.922.900112.3Q406 Q407 Q413 R414Q406-Q410 PolarHBondContact O-N 2.86Å; Q406-Q410 VanDerWaalsContact O-N 3.11Å; Q407-Q410 PolarHBondContact O-N 3.14Å; Q410-Q413 PolarHBondContact O-N 2.71Å; Q410-R414 VanDerWaalsContact O-CG 3.26Å; Q410-R414 WeakPolarHBondContact O-CG 3.37Å; Q410-R414 PolarHBondContact O-N 2.61Å
411Q59.9Low52.9Low115 Ų115139 Ų13954%0.53770%0.703SS.*Hα-helixtrans-66.4-41.1173.1-71.7179.310.800111.8Q407 Q408 Q413 R414 H415Q407-Q411 WeakPolarHBondContact O-CG 3.37Å; Q407-Q411 PolarHBondContact O-N 3.26Å; Q408-Q411 PolarHBondContact O-N 3.41Å; Q411-Q413 VanDerWaalsContact C-N 3.25Å; Q411-Q413 PolarHBondContact O-N 2.83Å; Q411-R414 PolarHBondContact O-N 2.95Å; Q411-R414 VanDerWaalsContact O-N 3.09Å; Q411-H415 PolarHBondContact O-CD2 3.33Å
412A57.1Low52.6Low67 Ų67136.6 Ų136.655%0.55470%0.704SS**Hα-helixtrans-58.6-34176.900000113.4Q408 Q409Q408-A412 PolarHBondContact O-N 3.11Å; Q409-A412 PolarHBondContact O-N 3.31Å
413Q55.2Low51.9Low155 Ų155135.4 Ų135.472%0.72471%0.708SS**Hα-helixtrans-78.3-22.9177.5-66.2-178.410.700113.7Q409 Q410 Q411 H415Q409-Q413 PolarHBondContact O-N 3.3Å; Q410-Q413 PolarHBondContact O-N 2.71Å; Q411-Q413 VanDerWaalsContact C-N 3.25Å; Q411-Q413 PolarHBondContact O-N 2.83Å; Q413-H415 PolarHBondContact O-N 2.8Å
414R52.8Low51.2Low208 Ų208133.7 Ų133.779%0.78571%0.713SS**THydrogen-bonded Turntrans-70.5-11.3179.7-70.1-111.2-66.8-178.3-0.7114.5Q410 Q411Q410-R414 VanDerWaalsContact O-CG 3.26Å; Q410-R414 WeakPolarHBondContact O-CG 3.37Å; Q410-R414 PolarHBondContact O-N 2.61Å; Q411-R414 PolarHBondContact O-N 2.95Å; Q411-R414 VanDerWaalsContact O-N 3.09Å
415H52.7Low50.5Low161 Ų161130.9 Ų130.975%0.74571%0.714SS**THydrogen-bonded Turntrans-102.18.2-175-65.3-63.2000114.8Q411 Q413Q411-H415 PolarHBondContact O-CD2 3.33Å; Q413-H415 PolarHBondContact O-N 2.8Å
416M47Very low49.8Very low177 Ų177133.9 Ų133.987%0.87273%0.728SS**SBendtrans-115.39.5-178.2-74.7-89.2-78.200114.2
417G41.6Very low48.8Very low72 Ų72131.1 Ų131.174%0.74273%0.734SS**SBendtrans-145.748.1-168.400000115.7
418A43.6Very low48.1Very low92 Ų92133.8 Ų133.876%0.7675%0.751SS**  trans-144.852.6-176.600000113.5
419N41.6Very low47.4Very low170 Ų170132.2 Ų132.291%0.90976%0.755SS**  trans-134.254.7-176.1-113.6-1.6000113.9
420S38.3Very low46.6Very low100 Ų100132.2 Ų132.270%0.69977%0.766SS**  trans-170.5139.2157.1470000110.9
421F39.4Very low45.8Very low209 Ų209132.1 Ų132.192%0.91778%0.78SS**  trans148.992.3149.4-82.1-57.6000110.9
422S41.8Very low45.1Very low117 Ų117132 Ų13282%0.81879%0.791SS**  trans-134.198.6164.961.70000110.2
423T37.3Very low44.4Very low140 Ų140136.5 Ų136.586%0.85981%0.805SS**  trans-15.9122.6163.9-51.50000117
424S40.3Very low43.9Very low109 Ų109135.9 Ų135.976%0.76281%0.812SS**  -172.7126.9115.737.70000115
425A44.1Very low43.1Very low87 Ų87131.4 Ų131.472%0.71981%0.812SS**  trans47130.513600000123.3
426Q43.7Very low42.6Very low197 Ų197127.2 Ų127.292%0.92181%0.812SS**  trans88.4116.1150-44.7-152.121.100120.4
427G39.5Very low42.4Very low68 Ų68127.8 Ų127.870%0.70181%0.81SS**  119.499.6125.300000118.5
428L48Very low42.5Very low174 Ų174131.7 Ų131.791%0.91181%0.814SS**  trans54.9139142.5-47.1177.3000119
429S47.5Very low42.8Very low109 Ų109133 Ų13376%0.76281%0.814SS**  cis-163.4162.2-6.150.40000109.1
430P45.9Very low42.8Very low124 Ų124131.8 Ų131.881%0.80581%0.813SS**  trans-104.9134.3-171.336.7-31.6000115.7
431S44.7Very low42.9Very low124 Ų124134 Ų13487%0.86782%0.816SS**  trans-175.3149.7161.5-83.90000109
432S45.6Very low42.9Very low112 Ų112133.2 Ų133.278%0.78381%0.808SS**  cis-155.7175.7-4500000110.8
433L41Very low42.8Very low161 Ų161135.1 Ų135.184%0.84380%0.804SS**  trans-62.8151.9178.8-74.161000113.1
434V44.8Very low43Very low143 Ų143133.5 Ų133.587%0.86780%0.799SS**  -177.7146.8109.41460000111.4
435S37.3Very low43.1Very low113 Ų113132.6 Ų132.679%0.7980%0.798SS**  trans-94.5137.2173.6-177.70000111.3
436G40.9Very low42.9Very low73 Ų73133.6 Ų133.675%0.75380%0.8SS**  trans-137.2151.3176.800000111.4
437K44.4Very low42.9Very low189 Ų189128.6 Ų128.682%0.82279%0.792SS**  trans-115.5162.1-166.4-63.4178178.41760113.9
438N43.1Very low42.9Very low155 Ų155134.8 Ų134.883%0.82980%0.8SS**  trans89.8149.2155.1-61.1-20.3000119.1
439P49.7Very low42.5Very low118 Ų118130.6 Ų130.677%0.76679%0.79SS**  trans-113171.3-167.442.2-31.6000114.2
440V42.5Very low42.1Very low145 Ų145130.4 Ų130.488%0.87979%0.789SS**  trans-131.5132.3169.2-177.70000112.3
441L39.6Very low41.7Very low146 Ų146132.5 Ų132.576%0.76479%0.788SS**  trans-55.5162.4178.1-168.3148.6000115.7
442Y39Very low41.3Very low193 Ų193134.9 Ų134.976%0.75779%0.785SS**  trans147.1139.6153.8-98.8-110.1000109.4
443Q40Very low41Very low157 Ų157137.7 Ų137.773%0.73479%0.786SS**  cis-155.7169.5-12.7-170.1164.625.800111.1
444S40.7Very low40.7Very low107 Ų107136.7 Ų136.775%0.74878%0.781SS**  trans-80153.4-162.854.30000120.9
445A43.3Very low40.6Very low89 Ų89134.8 Ų134.874%0.73677%0.771SS**  trans-175.6110.7131.500000110.3
446S40.6Very low40.5Very low109 Ų109136 Ų13676%0.76277%0.765SS**  68.9101.569.173.20000115.1
447A42.6Very low40.1Very low91 Ų91141.8 Ų141.875%0.75277%0.765SS**  89.2150.592.300000113.7
448K40.5Very low39.7Very low198 Ų198142.6 Ų142.686%0.86176%0.763SS**  cis-166.4149.6-0.5-126.5177.1-176.4-1770112
449A38.7Very low39.2Very low87 Ų87139.9 Ų139.972%0.71975%0.748SS**  trans59.6145.2140.200000125.5
450S38.5Very low38.7Very low105 Ų105140.8 Ų140.873%0.73475%0.746SS**  trans59.5160.3157.386.90000120.1
451E38Very low38.2Very low168 Ų168144.8 Ų144.879%0.78575%0.747SS**  cis-146-171.111-150.4140.9118.300115
452Q37.3Very low37.8Very low173 Ų173141.4 Ų141.481%0.80875%0.748SS**  trans-72.2158.8-164-53.6167.55.300116.4
453H38.1Very low37.5Very low172 Ų172136.3 Ų136.380%0.79675%0.753SS**  179152.8111.9-166.5-103.2000112.5
454L35.9Very low37.1Very low140 Ų140134.5 Ų134.573%0.73376%0.758SS**  trans-147139.9176.5-165.3115.4000111.7Q456L454-Q456 HydrophobicContact CD2-CB 4.23Å
455P42.1Very low36.7Very low103 Ų103137.6 Ų137.667%0.66976%0.761SS**  -137.9146.5127.836.1-24.2000111.2
456Q35.1Very low36.2Very low139 Ų139140.8 Ų140.865%0.6576%0.76SS**  cis87.9116.832.7-154.2-167.226.500115.1L454L454-Q456 HydrophobicContact CD2-CB 4.23Å
457Y32.1Very low35.9Very low194 Ų194139.3 Ų139.376%0.76176%0.755SS**  trans63.6152.9175.8-62.7-52.3000115.3
458R36.1Very low35.5Very low205 Ų205139 Ų13977%0.77474%0.744SS**  cis-164.7168.8-2.6-120.2177.9114.81437.1107.5
459D33.4Very low35.4Very low99 Ų99134.7 Ų134.753%0.52974%0.739SS.*  cis-165.7-170.6-3.1-157.5-10000109.8
460L39.3Very low35.4Very low136 Ų136135.2 Ų135.271%0.71274%0.737SS**  trans76.1105.3150.2-68.9163.5000122.3
461Y32.2Very low35.4Very low229 Ų229137.1 Ų137.190%0.89874%0.739SS**  30.8128.7126.5-78.1-99000123
462G31.5Very low35.5Very low76 Ų76139.1 Ų139.178%0.78474%0.74SS**  124.9101.5115.400000121.6
463G31.3Very low35.5Very low85 Ų85137.6 Ų137.688%0.87673%0.734SS**  trans74.7171.3157.200000117.7
464S32Very low35.7Very low120 Ų120136.5 Ų136.584%0.83973%0.733SS**  cis-157.9156.5-17-167.90000112.4
465Q33.1Very low35.8Very low172 Ų172139.8 Ų139.880%0.80474%0.736SS**  trans-29.9140.1172.8-59.3-94.524.200119.3
466Q30.9Very low35.8Very low155 Ų155143.9 Ų143.972%0.72475%0.746SS**  176.2162.7103.1-95.9-168.2400115.2N360N360-Q466 PolarHBondContact ND2-OE1 3.23Å; N360-Q466 VanDerWaalsContact ND2-OE1 3.13Å
467A34.9Very low35.9Very low78 Ų78142.1 Ų142.165%0.64574%0.744SS**  trans-95.1174.1171.500000111.5
468T33.9Very low36.1Very low85 Ų85140.1 Ų140.152%0.52175%0.746SS.*  -165.1135.368.743.60000110.7S359S359-T468 WeakPolarHBondContact CB-OG1 3.13Å
469S39.3Very low36.4Very low108 Ų108136.4 Ų136.476%0.75575%0.746SS**  68.7115.576-169.30000117.7
470S38.9Very low36.4Very low98 Ų98141.2 Ų141.269%0.68576%0.763SS**  trans-178.5129.5140.9-97.30000118.9
471N37.1Very low36.6Very low144 Ų144140.9 Ų140.977%0.7777%0.769SS**  trans56.9123.9133.6-74.1-78.1000124.5
472R40.3Very low36.8Very low211 Ų211133.3 Ų133.380%0.79676%0.76SS**  -174128.9103.8-101.8-168.6178.2-159.8-1.4112.5
473M39.1Very low37.1Very low140 Ų140136.8 Ų136.869%0.6977%0.766SS**  71.1144.9104-72.5-178-177.800116.4
474L41.6Very low37.3Very low149 Ų149138 Ų13878%0.7876%0.762SS**  cis-151.9-177.612.1-125.4165.1000113.4
475R37.5Very low37.5Very low210 Ų210140.8 Ų140.879%0.79277%0.767SS**  trans-95.1165.6-166.4-61.6162.7157.6-127.1-0.7115.6
476Q41.5Very low37.5Very low188 Ų188137.7 Ų137.788%0.87976%0.764SS**  175.9177.2126.8-94.5178.310900111.1
477V37Very low37.9Very low102 Ų102137.1 Ų137.162%0.61877%0.771SS**  -174.2160.8-62.8136.90000111.1
478L38.2Very low38Very low152 Ų152136.5 Ų136.580%0.79677%0.772SS**  trans69.8149.2171.4-102.354.2000116.6
479T40.8Very low38Very low127 Ų127142.1 Ų142.178%0.77979%0.79SS**  cis-159.4171-18.10.80000112.5
480K34.7Very low38Very low200 Ų200144.6 Ų144.687%0.8779%0.794SS**  trans-90.7-169.9171.9-49-179.4-179.4179.20111.3
481P42Very low37.8Very low130 Ų130145.2 Ų145.284%0.84479%0.789SS**  cis-131-160.1-8.141.2-20.9000114
482G36.3Very low37.9Very low69 Ų69147.4 Ų147.471%0.71180%0.795SS**  trans-135-170.7-18000000115.3
483T39.5Very low37.7Very low150 Ų150143.9 Ų143.992%0.9279%0.792SS**  trans-148.7159.6-176370000113.3
484S34.3Very low37.8Very low111 Ų111142.7 Ų142.778%0.77680%0.797SS**  trans-98.2164.3179.8-46.50000113.5
485N36.5Very low37.9Very low178 Ų178140.7 Ų140.795%0.95279%0.791SS**  trans-163.4175.8140.8-105.5-33.5000113.5
486S34.1Very low37.9Very low106 Ų106141.2 Ų141.274%0.74179%0.793SS**  trans-122.6-167.8-156.7-167.60000114.9
487V38.5Very low37.7Very low143 Ų143137 Ų13787%0.86779%0.785SS**  trans73143.2174.4-48.40000118.8
488G37.2Very low37.8Very low65 Ų65137.9 Ų137.967%0.6779%0.79SS**  cis173.5153.1-9.700000115.8
489F33.4Very low37.9Very low204 Ų204137.5 Ų137.590%0.89579%0.788SS**  trans31.8136.1157.9-68.2-84.2000124.5
490L39.2Very low37.8Very low159 Ų159138.6 Ų138.683%0.83279%0.786SS**  168.4114.9120.7-86.7163.8000108.1
491N34.2Very low37.9Very low111 Ų111137.6 Ų137.659%0.59478%0.784SS**  74.7117.764.3179.643000115.7N493N491-N493 PolarHBondContact OD1-ND2 2.87Å
492Q40.9Very low37.4Very low191 Ų191137.4 Ų137.489%0.89378%0.776SS**  trans-148.9145.3136-83-132.260.800110.4
493N35Very low37.6Very low136 Ų136142.2 Ų142.273%0.72778%0.784SS**  trans-130.1144.1-174.5-88.8-52.9000110.8N491N491-N493 PolarHBondContact OD1-ND2 2.87Å
494S41Very low37.4Very low115 Ų115139.2 Ų139.280%0.80477%0.77SS**  trans170.3145.1154.1-85.90000110.8
495V44.2Very low37.5Very low107 Ų107142.8 Ų142.865%0.64877%0.774SS**  cis-155.9151.3-1.3-107.50000111
496R38.5Very low37.5Very low221 Ų221142.6 Ų142.683%0.83477%0.77SS**  trans62.5126.9152.3-64.1161.2-177.4164.40.3118.6
497S35.6Very low37.8Very low101 Ų101144.3 Ų144.371%0.70677%0.77SS**  cis97.614214.884.80000117.6
498V40.3Very low37.8Very low119 Ų119148.6 Ų148.672%0.72177%0.77SS**  trans101.8122.7148.5171.10000119.8
499L39.4Very low38.1Very low144 Ų144153.9 Ų153.975%0.75478%0.781SS**  trans70.2149.1160-70.5170.5000120
500M39.8Very low38.4Very low151 Ų151147.2 Ų147.274%0.74477%0.77SS**  cis-155.1117.3-15.4-164.2-169.6-61.700106.5
501Q36.4Very low38.9Very low179 Ų179145.9 Ų145.984%0.83677%0.771SS**  68.1125.587.5-141.3-179.83.400117.8
502D31.9Very low39.2Very low126 Ų126149.4 Ų149.467%0.67478%0.784SS**  trans64121.7157.5-158.226000122.5S504D502-S504 PolarHBondContact OD1-N 3.07Å
503L40.7Very low39.1Very low169 Ų169148.7 Ų148.789%0.88578%0.781SS**  -162.1104.3122.4-114.2165.7000111
504S34.7Very low39.4Very low87 Ų87147.2 Ų147.261%0.60879%0.787SS**  trans-96166.7177.1-64.20000114D502D502-S504 PolarHBondContact OD1-N 3.07Å
505Q36.6Very low39.1Very low186 Ų186150.5 Ų150.587%0.86979%0.79SS**  trans80.5117.3164.2-48.4-178.383.900118.7
506M35.6Very low39Very low175 Ų175150.7 Ų150.786%0.86279%0.793SS**  -157.9156.3107.3-144.5158.9-71.300113.1
507L40.3Very low38.9Very low141 Ų141144.7 Ų144.774%0.73879%0.785SS**  trans-21.7137.2179.1-79.355.5000118.4
508R38.7Very low39Very low234 Ų234148.7 Ų148.788%0.88379%0.793SS**  81.1156.657.2-76.8-169175-165.10.5115.1
509I44.6Very low39Very low176 Ų176152.2 Ų152.290%0.90380%0.801SS**  trans81.9136.7-173.1-49.4161.4000112.1
510G39.2Very low39.2Very low64 Ų64154.3 Ų154.366%0.6681%0.809SS**  cis160.4125.4-6.700000111.6
511P48.7Very low39Very low130 Ų130158.5 Ų158.584%0.84482%0.817SS**  trans-103.3164.3-168.339.1-36.2000115.6
512Q40.6Very low39.5Very low185 Ų185159.2 Ų159.286%0.86482%0.82SS**  trans-154.1170.2169.1-95.1-101.130.500112
513Q38.3Very low40Very low177 Ų177161.7 Ų161.783%0.82783%0.828SS**  trans-104.1161.6-162.7-56165.1-3800114.6
514A41.6Very low40.1Very low105 Ų105162.4 Ų162.487%0.86883%0.827SS**  trans-176143.3136.300000114.9
515Q35.6Very low40.6Very low184 Ų184165.8 Ų165.886%0.8684%0.838SS**  trans-144.9152.7153.2-132.6-159.37500105.9
516P41.5Very low40.7Very low110 Ų110167.7 Ų167.771%0.71484%0.837SS**  -162-18080.943.5-22.3000118.1
517S35.8Very low41.2Very low95 Ų95165.2 Ų165.266%0.66483%0.827SS**  trans52.4121.1140.6-66.80000125.2
518Q38.7Very low41.4Very low185 Ų185164 Ų16486%0.86483%0.826SS**  trans51120.4135.4-57.1-1711800122.4
519Q41Very low41.5Very low194 Ų194158.5 Ų158.591%0.90782%0.818SS**  trans-162.6170.5135.3-117.6178.316.200114.5
520M41.9Very low41.5Very low187 Ų187155.8 Ų155.892%0.92181%0.809SS**  trans63.196.1173.8-70-156.8-7400119.8
521R37.5Very low41.6Very low240 Ų240158 Ų15891%0.90682%0.815SS**  trans-133.1114.7152.1-134.2-167.5-174-166.72.4107.8
522Q45.2Very low41.1Very low194 Ų194157.2 Ų157.291%0.90781%0.812SS**  trans-177.7169.8158.9-109.8168.279.100112.4
523Q43.1Very low41.2Very low178 Ų178153.5 Ų153.583%0.83281%0.807SS**  trans75.1129.2-168.7-53-175.513.300114.6
524Q43.7Very low41.4Very low183 Ų183153.1 Ų153.186%0.85581%0.81SS**  cis-154156-15.6-133.8173.923.900111.1
525N45Very low41.4Very low159 Ų159156 Ų15685%0.8581%0.809SS**  trans-87.9139.1-172.6-73.3-18.7000114.5
526R38.5Very low42.1Very low226 Ų226152.6 Ų152.685%0.85380%0.803SS**  trans-162.1140.4132.9-74.7-151.3178.9-133.8-1108.7
527L46.2Very low42.2Very low123 Ų123153.8 Ų153.864%0.64481%0.808SS**  cis-159.9142.8-12-100.1173000107.8
528T44Very low42.5Very low116 Ų116153.1 Ų153.171%0.71281%0.808SS**  trans52.2138.7142.860.20000120.4
529T40.5Very low42.6Very low117 Ų117152.2 Ų152.272%0.71880%0.804SS**  cis139140.328.5-86.30000105.6
530V45Very low42.8Very low120 Ų120149 Ų14973%0.72779%0.789SS**  cis-157.1159.3-10.1-93.40000110.9
531S42Very low43.3Very low111 Ų111147.5 Ų147.578%0.77678%0.784SS**  trans45.6117.4140.8-56.20000123
532S37.6Very low43.6Very low112 Ų112141.4 Ų141.478%0.78378%0.776SS**  trans-65158.1142.3-23.30000111.9
533S42Very low43.8Very low108 Ų108142.6 Ų142.676%0.75578%0.778SS**  trans-175117.3135.1-84.70000115.7
534L42.6Very low44.8Very low169 Ų169137.6 Ų137.689%0.88577%0.767SS**  trans69159134.3-57174.1000122
535L43Very low45.9Very low164 Ų164134.5 Ų134.586%0.85976%0.763SS**  trans-107.4-166.9-170.3-57.8171.6000109.1
536P50.3Low47.2Very low113 Ų113132.7 Ų132.773%0.73476%0.76SS**  cis-146.7-174.15.442.5-21.2000118.7
537V43.3Very low48.9Very low135 Ų135127.5 Ų127.582%0.81876%0.755SS**  trans100.2135.5139.694.90000121.3
538A41.9Very low49.8Very low81 Ų81127.2 Ų127.267%0.66976%0.761SS**  trans63.9143.8160.200000118.7
539Q41.4Very low51Low166 Ų166127.7 Ų127.778%0.77677%0.766SS**  cis-159.2-179-11.4-132.3180-84.600110.7
540E44.2Very low51.1Low127 Ų127130 Ų13059%0.59377%0.773SS**  trans69105.9166.1-56.9-4292.500123
541L51.6Low51.2Low156 Ų156130 Ų13082%0.81778%0.779SS**  trans79.5151.2133.4-60.6175.3000122
542P44.5Very low51.6Low112 Ų112133 Ų13373%0.72778%0.78SS**  trans-114.7167.3-165.542.2-31.5000115.1
543F49.7Very low52.3Low218 Ų218133.2 Ų133.296%0.95678%0.779SS**  trans-141.1154.5161-146-98.9000112.7
544A64.4Low52.2Low73 Ų73133.9 Ų133.960%0.60378%0.784SS**PPolyproline II helixtrans-97.3161-166.100000114
545P65.5Low52.3Low118 Ų118130.3 Ų130.377%0.76678%0.778SS**PPolyproline II helixtrans-70.4158.3175.729.9-36.3000113.3
546P72.9Confident52.3Low122 Ų122132.1 Ų132.179%0.79278%0.782SS**PPolyproline II helixtrans-79.4147.7-169.831.2-36.4000114.7
547P73.6Confident51.9Low116 Ų116134.8 Ų134.875%0.75379%0.785SS**PPolyproline II helixtrans-87.9163.3174.236.3-35.8000113.4
548P66.2Low51.7Low118 Ų118137.7 Ų137.777%0.76679%0.79SS**PPolyproline II helixtrans-80.8150.9173.333.8-35.1000112.7
549P69Low51.6Low126 Ų126140.7 Ų140.782%0.81879%0.79SS**PPolyproline II helixtrans-87.2136.5178.533.4-33.5000113.3
550L41.6Very low51.5Low164 Ų164141.6 Ų141.686%0.85979%0.794SS**  trans-137.5119.9162.9-87.1172.9000109
551S47.3Very low51.2Low121 Ų121142.9 Ų142.985%0.84680%0.8SS**  trans-154.3132.6168.7-78.50000110.8
552H51.4Low50.5Low175 Ų175141.9 Ų141.981%0.8180%0.795SS**  trans-90.3-161166.2-54.6-97.9000108.2
553P52.2Low50.4Low115 Ų115144.4 Ų144.475%0.74780%0.797SS**  cis-135-179.4-12.442.2-26.4000114
554S40Very low50.1Low123 Ų123139.1 Ų139.186%0.8678%0.784SS**  -176154.9123.5-83.90000113.9
555A44.4Very low49Very low94 Ų94143.8 Ų143.878%0.77780%0.799SS**  trans-60.1151.1-170.100000117.4
556Q42Very low47.8Very low201 Ų201141.9 Ų141.994%0.93980%0.801SS**  -150167.1112.5-112.9176.2-0.400111.5
557Q42.4Very low46.2Very low169 Ų169144.4 Ų144.479%0.7980%0.802SS**  trans-141.5125.1-154.3174.8-170.129.500111.1
558Q40.6Very low44.8Very low197 Ų197146.3 Ų146.392%0.92181%0.805SS**  trans-150.4151.5158.6-154.9153.521.200111.5
559Q38Very low43.9Very low143 Ų143145.4 Ų145.467%0.66880%0.799SS**  trans-115143.8-166.3-59163.7-65.500112.3
560Q40Very low42.7Very low185 Ų185143.4 Ų143.486%0.86479%0.788SS**  trans-178.6101.5144.1-98146.3105.300105.9
561Q39Very low42.8Very low154 Ų154143.1 Ų143.172%0.7278%0.783SS**  67.8100.573.7-69.8-158.736.100115.3
562L35.5Very low42.7Very low136 Ų136144.5 Ų144.571%0.71278%0.78SS**  trans63.5156.8145.2-50.3170.8000116.3
563H43.2Very low42.5Very low164 Ų164138.7 Ų138.776%0.75976%0.759SS**  cis-140165.214.8-61.4-106000110.8
564P43.2Very low42.2Very low108 Ų108138.4 Ų138.470%0.70175%0.751SS**  trans-88.1174.7171.536.6-35.7000113.8
565N41.1Very low42.5Very low170 Ų170139.7 Ų139.791%0.90975%0.745SS**  trans82.1121.8-177.3-55.8-36.5000115.5
566G41Very low43Very low78 Ų78142 Ų14280%0.80474%0.741SS**  trans178.176.6-178.100000111.6
567Q38.5Very low43.2Very low176 Ų176141.2 Ų141.282%0.82273%0.731SS**  trans-61.8129.2-174-170.779.1300112.8
568L44Very low43.3Very low156 Ų156140 Ų14082%0.81773%0.73SS**  trans-135.1151.9157-76.9176.8000109.6
569P47.3Very low43.5Very low99 Ų99135.6 Ų135.664%0.64372%0.717SS**  trans-88.3146.6-149.9-1331.2000115.8E571P569-E571 HydrophobicContact CB-CB 4.4Å; P569-E571 HydrophobicContact CB-CG 3.98Å; P569-E571 PolarHBondContact O-N 3.22Å
570S45.1Very low43.9Very low83 Ų83135.5 Ų135.558%0.5872%0.721SS**  trans-77.110.2174.7-45.90000114.9L572 S573S570-L572 PolarHBondContact O-N 3.04Å; S570-S573 PolarHBondContact O-N 3.15Å; S570-S573 PolarHBondContact O-OG 3.47Å; S570-S573 VanDerWaalsContact O-OG 3.07Å
571E41.9Very low44.6Very low159 Ų159133 Ų13374%0.74371%0.712SS**THydrogen-bonded Turntrans-65.43.9-170.1-72.5-90.410300115.5P569 M575P569-E571 HydrophobicContact CB-CB 4.4Å; P569-E571 HydrophobicContact CB-CG 3.98Å; P569-E571 PolarHBondContact O-N 3.22Å; E571-M575 WeakPolarHBondContact O-CE 3.24Å
572L46.5Very low45Very low150 Ų150133.4 Ų133.479%0.78571%0.714SS**THydrogen-bonded Turntrans-121.3-8.6178.8-91.2166.6000114.6S570S570-L572 PolarHBondContact O-N 3.04Å
573S46.4Very low45.8Very low53 Ų53131.1 Ų131.137%0.37171%0.708SS.*THydrogen-bonded Turntrans-82.8-43.9174.649.60000112S570 M576 Y577S570-S573 PolarHBondContact O-N 3.15Å; S570-S573 PolarHBondContact O-OG 3.47Å; S570-S573 VanDerWaalsContact O-OG 3.07Å; S573-M576 WeakPolarHBondContact O-CB 3.23Å; S573-M576 PolarHBondContact O-N 2.81Å; S573-M576 VanDerWaalsContact O-N 3.15Å; S573-Y577 WeakPolarHBondContact O-CD2 3.12Å
574D46.6Very low46.4Very low108 Ų108125.9 Ų125.958%0.57869%0.686SS**G310 helixtrans-81.2-29.5-162.1-61.66.6000111.7M576 Y577 D578D574-M576 PolarHBondContact O-N 2.78Å; D574-Y577 PolarHBondContact O-N 3.2Å; D574-D578 PolarHBondContact O-N 3.06Å
575M46.4Very low47.6Very low151 Ų151126 Ų12674%0.74468%0.68SS**G310 helixtrans-66.90.4168.7-68.3-163.8-64.900114.3E571E571-M575 WeakPolarHBondContact O-CE 3.24Å
576M55.3Low48.6Very low142 Ų142122.5 Ų122.570%0.766%0.661SS**G310 helixtrans-107.6-1.1176.2-134.9179.468.800113.7S573 D574S573-M576 WeakPolarHBondContact O-CB 3.23Å; S573-M576 PolarHBondContact O-N 2.81Å; S573-M576 VanDerWaalsContact O-N 3.15Å; D574-M576 PolarHBondContact O-N 2.78Å
577Y46.3Very low49.7Very low185 Ų185124.5 Ų124.573%0.72565%0.649SS**THydrogen-bonded Turntrans-118.5-27.6179.8-70.8-71000114.2S573 D574 T579S573-Y577 WeakPolarHBondContact O-CD2 3.12Å; D574-Y577 PolarHBondContact O-N 3.2Å; Y577-T579 VanDerWaalsContact C-N 3.31Å; Y577-T579 PolarHBondContact O-N 2.76Å
578D42.7Very low51.1Low144 Ų144119.8 Ų119.877%0.7763%0.632SS**  trans-8373.9169-85.8-37.8000111.9D574D574-D578 PolarHBondContact O-N 3.06Å
579T46.5Very low51.9Low104 Ų104116.1 Ų116.164%0.63861%0.613SS**  trans-141.792.1146.9-51.10000108.7Y577 I581Y577-T579 VanDerWaalsContact C-N 3.31Å; Y577-T579 PolarHBondContact O-N 2.76Å; T579-I581 HydrophobicContact CG2-CD1 4.36Å; T579-I581 HydrophobicContact CG2-CG1 3.61Å; T579-I581 PolarHBondContact O-N 3Å
580D46Very low52.9Low140 Ų140118.2 Ų118.275%0.74961%0.608SS**  trans-60.787160.3-103.4-45.2000108.5Q582D580-Q582 HydrophobicContact CB-CG 4.4Å; D580-Q582 PolarHBondContact O-N 2.76Å
581I53.3Low53.8Low132 Ų132120.5 Ų120.568%0.67761%0.609SS**  trans-74.459.7162.2-47.9-179.5000107.4T579 C583T579-I581 HydrophobicContact CG2-CD1 4.36Å; T579-I581 HydrophobicContact CG2-CG1 3.61Å; T579-I581 PolarHBondContact O-N 3Å; I581-C583 HydrophobicContact CG2-CB 4.03Å; I581-C583 PolarHBondContact O-N 3.04Å
582Q49Very low54.6Low163 Ų163119.1 Ų119.176%0.76260%0.602SS**  trans-66.271.1147.2-64.7-162.4-70.900107.1D580 D584D580-Q582 HydrophobicContact CB-CG 4.4Å; D580-Q582 PolarHBondContact O-N 2.76Å; Q582-D584 PolarHBondContact O-N 3.28Å
583C52.3Low55.2Low88 Ų88117.8 Ų117.860%0.59560%0.596SS**  trans-63.281.4154.653.90000106.2I581 I585I581-C583 HydrophobicContact CG2-CB 4.03Å; I581-C583 PolarHBondContact O-N 3.04Å; C583-I585 VanDerWaalsContact C-N 3.32Å; C583-I585 PolarHBondContact O-N 3.11Å
584D56.1Low55.8Low54 Ų54122 Ų12229%0.28961%0.614SS.*  trans-52101.5174.5169.15.8000106.1Q582 D586 Q587 V588 R590Q582-D584 PolarHBondContact O-N 3.28Å; D584-D586 PolarHBondContact O-N 3.15Å; D584-D586 WeakPolarHBondContact OD1-CB 3.43Å; D584-D586 PolarHBondContact OD1-N 3.41Å; D584-D586 VanDerWaalsContact OD1-N 3.14Å; D584-Q587 HydrophobicContact CB-CB 3.92Å; D584-Q587 HydrophobicContact CB-CG 4.38Å; D584-Q587 CarbonylContact O-C 3.6Å; D584-Q587 WeakPolarHBondContact O-CA 3.24Å; D584-Q587 WeakPolarHBondContact O-CB 3.23Å; D584-Q587 PolarHBondContact O-N 3.31Å; D584-Q587 PolarHBondContact OD1-N 3.49Å; D584-Q587 VanDerWaalsContact OD2-CG 3.24Å; D584-Q587 WeakPolarHBondContact OD2-CG 3.24Å; D584-Q587 PolarHBondContact OD2-NE2 3.39Å; D584-V588 PolarHBondContact O-N 3.27Å; D584-R590 IonicContact OD1-NH2 3.79Å; D584-R590 IonicContact OD2-NH2 3.51Å; D584-R590 PolarHBondContact OD2-NH2 3.37Å
585I68.1Low56.4Low112 Ų112122.7 Ų122.757%0.57462%0.616SS**Hα-helixtrans-67.1-26.7-169.3-162.4166.1000109.6C583 V588 I589C583-I585 VanDerWaalsContact C-N 3.32Å; C583-I585 PolarHBondContact O-N 3.11Å; I585-V588 PolarHBondContact O-N 3.48Å; I585-I589 HydrophobicContact CG1-CD1 4.13Å; I585-I589 VanDerWaalsContact O-CB 3.24Å; I585-I589 WeakPolarHBondContact O-CB 3.13Å; I585-I589 WeakPolarHBondContact O-CD1 3.4Å; I585-I589 WeakPolarHBondContact O-CG1 3.15Å; I585-I589 PolarHBondContact O-N 3.24Å
586D60.5Low56.7Low96 Ų96118.5 Ų118.551%0.51361%0.605SS.*Hα-helixtrans-70.8-29.1170.7-63.7-58.5000111.8D584 R590D584-D586 PolarHBondContact O-N 3.15Å; D584-D586 WeakPolarHBondContact OD1-CB 3.43Å; D584-D586 PolarHBondContact OD1-N 3.41Å; D584-D586 VanDerWaalsContact OD1-N 3.14Å; D586-R590 VanDerWaalsContact C-NE 3.31Å; D586-R590 VanDerWaalsContact C-NH2 3.34Å; D586-R590 WeakPolarHBondContact O-CB 3.34Å; D586-R590 WeakPolarHBondContact O-CG 3.36Å; D586-R590 PolarHBondContact O-N 3.24Å; D586-R590 PolarHBondContact O-NE 3.28Å
587Q65Low56.1Low119 Ų119114.8 Ų114.856%0.55660%0.604SS**Hα-helixtrans-72.6-41.6169.4-97.3177.588.500112.1D584 I589 R590 H591D584-Q587 HydrophobicContact CB-CB 3.92Å; D584-Q587 HydrophobicContact CB-CG 4.38Å; D584-Q587 CarbonylContact O-C 3.6Å; D584-Q587 WeakPolarHBondContact O-CA 3.24Å; D584-Q587 WeakPolarHBondContact O-CB 3.23Å; D584-Q587 PolarHBondContact O-N 3.31Å; D584-Q587 PolarHBondContact OD1-N 3.49Å; D584-Q587 VanDerWaalsContact OD2-CG 3.24Å; D584-Q587 WeakPolarHBondContact OD2-CG 3.24Å; D584-Q587 PolarHBondContact OD2-NE2 3.39Å; Q587-I589 VanDerWaalsContact C-N 3.35Å; Q587-R590 PolarHBondContact O-N 3.46Å; Q587-H591 WeakPolarHBondContact O-CB 3.41Å; Q587-H591 PolarHBondContact O-N 3.09Å
588V67.1Low56.2Low77 Ų77113.6 Ų113.647%0.46761%0.61SS.*Hα-helixtrans-61.9-45.6174.3178.30000110.2D584 I585 H591 E592D584-V588 PolarHBondContact O-N 3.27Å; I585-V588 PolarHBondContact O-N 3.48Å; V588-H591 PolarHBondContact O-N 3.46Å; V588-E592 HydrophobicContact CG1-CG 4.31Å; V588-E592 WeakPolarHBondContact O-CB 3.4Å; V588-E592 WeakPolarHBondContact O-CG 3.41Å; V588-E592 PolarHBondContact O-N 3.17Å
589I62.5Low56.6Low79 Ų79113.2 Ų113.241%0.40561%0.607SS.*Hα-helixtrans-62.1-44.8174.1-71.1165.3000111I585 Q587 H591 L593I585-I589 HydrophobicContact CG1-CD1 4.13Å; I585-I589 VanDerWaalsContact O-CB 3.24Å; I585-I589 WeakPolarHBondContact O-CB 3.13Å; I585-I589 WeakPolarHBondContact O-CD1 3.4Å; I585-I589 WeakPolarHBondContact O-CG1 3.15Å; I585-I589 PolarHBondContact O-N 3.24Å; Q587-I589 VanDerWaalsContact C-N 3.35Å; I589-H591 VanDerWaalsContact C-N 3.29Å; I589-H591 PolarHBondContact O-N 3.01Å; I589-L593 HydrophobicContact CG2-CD1 3.58Å; I589-L593 HydrophobicContact CG2-CG 4.2Å; I589-L593 VanDerWaalsContact O-CB 3.23Å; I589-L593 WeakPolarHBondContact O-CB 3.34Å; I589-L593 VanDerWaalsContact O-CG 3.24Å; I589-L593 WeakPolarHBondContact O-CG 3.26Å; I589-L593 PolarHBondContact O-N 3.39Å
590R67.4Low56.8Low144 Ų144114.6 Ų114.654%0.54361%0.611SS.*Hα-helixtrans-62.3-32.4175.1-82.6171.6-81.1158.3-2.3112.8D584 D586 Q587 N594D584-R590 IonicContact OD1-NH2 3.79Å; D584-R590 IonicContact OD2-NH2 3.51Å; D584-R590 PolarHBondContact OD2-NH2 3.37Å; D586-R590 VanDerWaalsContact C-NE 3.31Å; D586-R590 VanDerWaalsContact C-NH2 3.34Å; D586-R590 WeakPolarHBondContact O-CB 3.34Å; D586-R590 WeakPolarHBondContact O-CG 3.36Å; D586-R590 PolarHBondContact O-N 3.24Å; D586-R590 PolarHBondContact O-NE 3.28Å; Q587-R590 PolarHBondContact O-N 3.46Å; R590-N594 WeakPolarHBondContact O-CB 3.41Å; R590-N594 PolarHBondContact O-N 3.33Å
591H62.9Low57.1Low130 Ų130116.3 Ų116.360%0.60261%0.612SS**Hα-helixtrans-80.8-46.1-180-162.8-84.3000112.1Q587 V588 I589 N594 I595Q587-H591 WeakPolarHBondContact O-CB 3.41Å; Q587-H591 PolarHBondContact O-N 3.09Å; V588-H591 PolarHBondContact O-N 3.46Å; I589-H591 VanDerWaalsContact C-N 3.29Å; I589-H591 PolarHBondContact O-N 3.01Å; H591-N594 PolarHBondContact O-N 3.41Å; H591-I595 WeakPolarHBondContact O-CG1 3.44Å; H591-I595 PolarHBondContact O-N 3.38Å
592E60.5Low56.7Low130 Ų130114.5 Ų114.561%0.60761%0.611SS**Hα-helixtrans-61.8-46.2175.8-71.8-78.8102.200111.6V588 N594 I595V588-E592 HydrophobicContact CG1-CG 4.31Å; V588-E592 WeakPolarHBondContact O-CB 3.4Å; V588-E592 WeakPolarHBondContact O-CG 3.41Å; V588-E592 PolarHBondContact O-N 3.17Å; E592-N594 VanDerWaalsContact C-N 3.32Å; E592-N594 PolarHBondContact O-N 3.24Å; E592-I595 PolarHBondContact O-N 3.24Å
593L58.8Low56.6Low123 Ų123111.1 Ų111.164%0.64461%0.611SS**Hα-helixtrans-71.3-23.6-179.6-66.2-179.7000113.5I589 I595 A596I589-L593 HydrophobicContact CG2-CD1 3.58Å; I589-L593 HydrophobicContact CG2-CG 4.2Å; I589-L593 VanDerWaalsContact O-CB 3.23Å; I589-L593 WeakPolarHBondContact O-CB 3.34Å; I589-L593 VanDerWaalsContact O-CG 3.24Å; I589-L593 WeakPolarHBondContact O-CG 3.26Å; I589-L593 PolarHBondContact O-N 3.39Å; L593-I595 VanDerWaalsContact C-N 3.34Å; L593-A596 PolarHBondContact O-N 3.28Å
594N59.5Low56.5Low141 Ų141114.7 Ų114.775%0.75462%0.624SS**Hα-helixtrans-84.3-8.1177.2-16759.9000113.4R590 H591 E592R590-N594 WeakPolarHBondContact O-CB 3.41Å; R590-N594 PolarHBondContact O-N 3.33Å; H591-N594 PolarHBondContact O-N 3.41Å; E592-N594 VanDerWaalsContact C-N 3.32Å; E592-N594 PolarHBondContact O-N 3.24Å
595I57.9Low56.1Low123 Ų123118.8 Ų118.863%0.63165%0.646SS**Hα-helixtrans-83.9-28.8167.2-65.3167.9000110.5H591 E592 L593 G597H591-I595 WeakPolarHBondContact O-CG1 3.44Å; H591-I595 PolarHBondContact O-N 3.38Å; E592-I595 PolarHBondContact O-N 3.24Å; L593-I595 VanDerWaalsContact C-N 3.34Å; I595-G597 PolarHBondContact O-N 3.25Å
596A52.9Low55Low62 Ų62124.2 Ų124.251%0.51267%0.666SS.*  trans-78.645.5177.700000113.9L593 N598L593-A596 PolarHBondContact O-N 3.28Å; A596-N598 PolarHBondContact O-N 3.35Å
597G42.9Very low54.1Low65 Ų65122.4 Ų122.467%0.6767%0.67SS**  trans-62.5132.2169.900000111.6I595I595-G597 PolarHBondContact O-N 3.25Å
598N47.5Very low53Low160 Ų160124.7 Ų124.786%0.85669%0.686SS**SBendtrans73.655.8172.8-155.399.3000116.9A596A596-N598 PolarHBondContact O-N 3.35Å
599L51.8Low51.9Low136 Ų136132.7 Ų132.771%0.71272%0.724SS**  trans-128109.6153.3-75.5176.7000110.5F601L599-F601 HydrophobicContact CB-CE2 4.2Å
600D51.5Low51.4Low132 Ų132135.4 Ų135.471%0.70674%0.74SS**  trans-79.3132.2170.1176.532.9000110.3S602D600-S602 PolarHBondContact OD1-N 3.01Å; D600-S602 PolarHBondContact OD1-OG 3.14Å; D600-S602 PolarHBondContact OD2-OG 3.43Å
601F51.1Low50.6Low176 Ų176134.9 Ų134.977%0.77275%0.75SS**  trans-118.463.7174.2-84.5-82.7000110.2L599 A603L599-F601 HydrophobicContact CB-CE2 4.2Å; F601-A603 PolarHBondContact O-N 3.13Å
602S45.9Very low49.9Very low95 Ų95135.2 Ų135.266%0.66476%0.758SS**  trans-61.991.7166.6-73.80000110.6D600 D604D600-S602 PolarHBondContact OD1-N 3.01Å; D600-S602 PolarHBondContact OD1-OG 3.14Å; D600-S602 PolarHBondContact OD2-OG 3.43Å; S602-D604 PolarHBondContact O-N 3.36Å; S602-D604 VanDerWaalsContact O-N 3.14Å
603A47.2Very low49.3Very low92 Ų92135.5 Ų135.576%0.7677%0.767SS**  trans-89.850.4-165.300000114.5F601F601-A603 PolarHBondContact O-N 3.13Å
604D50Low48.7Very low162 Ų162136.3 Ų136.387%0.86678%0.775SS**  trans-130.750.3-172.4-85.2-54.2000114.3S602S602-D604 PolarHBondContact O-N 3.36Å; S602-D604 VanDerWaalsContact O-N 3.14Å
605N47.2Very low47.9Very low140 Ų140136 Ų13675%0.74978%0.776SS**  trans-156.277.1163.9-164.315000115.7
606F45.6Very low47.2Very low227 Ų227136.9 Ų136.9100%0.99679%0.786SS**  trans-137.783.5159.9-87.8-74.4000110.4
607G41.7Very low46.8Very low58 Ų58142.7 Ų142.760%0.59881%0.808SS**  trans-168.246.5-175.900000115.3
608N40Very low47.1Very low166 Ų166149.2 Ų149.289%0.88882%0.819SS**  trans178.486.7155.5-92.9-31.7000111.8
609I45.8Very low47.1Very low246 Ų246148.2 Ų148.2100%1.26282%0.816SS**  trans-143.90142.8-55.3-174.8000106

Retrieved 609 of 609 residues in 62.8 ms (Link to these results)