A0A3Q0KKX3_SCHMA Loading...

Neurogenin

AlphaFold DB , UniProt , Accession A0A3Q0KKX3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 515 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
1M43.3Very low39.4Very low231 Ų231164.3 Ų164.3100%1.13885%0.849SS**  06.20-82.9-74.9-8500113.1
2E40.6Very low39.1Very low174 Ų174164.1 Ų164.181%0.81385%0.85SS**  trans-98.74.3-170.1-70.2167.712900115.9L4E2-L4 VanDerWaalsContact C-N 3.34Å; E2-L4 PolarHBondContact O-N 3.4Å
3Y38.4Very low38.5Very low234 Ų234167 Ų16792%0.91885%0.853SS**THydrogen-bonded Turntrans-85.111.4-171-97.4-83.5000116.2
4L42.6Very low38.1Very low168 Ų168167.7 Ų167.788%0.8885%0.847SS**THydrogen-bonded Turntrans-131.114.8-170.2-70.8175.4000115.5E2E2-L4 VanDerWaalsContact C-N 3.34Å; E2-L4 PolarHBondContact O-N 3.4Å
5T45.6Very low37.8Very low111 Ų111165.1 Ų165.168%0.68184%0.843SS**SBendtrans-132.966.4-177.654.30000112.2
6N37.1Very low37.5Very low170 Ų170163.1 Ų163.191%0.90984%0.835SS**SBendtrans-166.117.9161.5-97.9-27.2000115.4
7S36.5Very low37.2Very low104 Ų104162.9 Ų162.973%0.72784%0.836SS**SBendtrans-132.5157.1-179.9-51.60000111.1
8D37.3Very low37.1Very low138 Ų138160.9 Ų160.974%0.73883%0.833SS**  trans78.734.3165.1-51.3-24.8000119.4
9L40.7Very low37Very low173 Ų173161.3 Ų161.391%0.90684%0.836SS**SBendtrans-104.7-4.3155.9-83.1178.5000115
10N36.4Very low36.9Very low153 Ų153161.4 Ų161.482%0.81883%0.832SS**  trans-131.287.4175.6-83.4-35.8000110.9
11N35.2Very low36.8Very low151 Ų151159.3 Ų159.381%0.80782%0.823SS**  trans-149.194157-98.1-43000110.1
12N36.2Very low36.3Very low162 Ų162154.5 Ų154.587%0.86680%0.801SS**  trans-60.9152.7169.5-89.7-43.7000111.1F14N12-F14 PolarHBondContact O-N 2.93Å
13F30.6Very low36Very low202 Ų202153.9 Ų153.989%0.88680%0.804SS**  trans-48111.4165.2-99.9-115.1000111.3
14F32.8Very low35.7Very low177 Ų177147.9 Ų147.978%0.77680%0.796SS**  trans-147.9115.9147.4-128.3-86.4000111.5N12 N16N12-F14 PolarHBondContact O-N 2.93Å; F14-N16 PolarHBondContact O-N 2.99Å; F14-N16 VanDerWaalsContact O-N 3.16Å
15V34.1Very low35.5Very low129 Ų129144.2 Ų144.278%0.78278%0.784SS**  trans-80.493175.3177.80000108.2
16N32.6Very low35.2Very low133 Ų133145.4 Ų145.471%0.71179%0.787SS**  trans-97.3102.9171.5-85.4-18000110.9F14 T18F14-N16 PolarHBondContact O-N 2.99Å; F14-N16 VanDerWaalsContact O-N 3.16Å; N16-T18 PolarHBondContact O-N 3.16Å
17N33.2Very low35.1Very low159 Ų159144 Ų14485%0.8578%0.779SS**  trans-77.1105.5174.1-151.212.7000108.1N19N17-N19 PolarHBondContact O-N 3.45Å
18T35.1Very low35Very low127 Ų127146.2 Ų146.278%0.77978%0.783SS**  trans-69.6120.7-177.242.20000111.4N16N16-T18 PolarHBondContact O-N 3.16Å
19N34.1Very low34.9Very low168 Ų168145.9 Ų145.990%0.89879%0.786SS**  trans-141.1115.9159.7-144.38.8000108.1N17N17-N19 PolarHBondContact O-N 3.45Å
20H36.6Very low34.7Very low164 Ų164143.1 Ų143.176%0.75978%0.776SS**  trans-84.1157-161.3-119.5-76.8000113.8
21N33.7Very low34.5Very low118 Ų118142 Ų14263%0.63178%0.779SS**  trans85104.5151.6-69.2-5.7000120.8
22N32.6Very low34.5Very low129 Ų129142.4 Ų142.469%0.6978%0.78SS**  79.4101.8123.1-55.5-7.9000118
23N33.8Very low34.3Very low162 Ų162139.7 Ų139.787%0.86677%0.774SS**  -161.2129.5101.1-98.1-18.9000114.5
24S33.5Very low34.9Very low108 Ų108136 Ų13676%0.75577%0.77SS**  trans1.7144.6156.7-1520000122.5
25S38.1Very low35.2Very low91 Ų91133.5 Ų133.564%0.63677%0.77SS**  trans98.2129.9139.179.40000120.2
26N38.2Very low35.4Very low136 Ų136134.7 Ų134.773%0.72777%0.77SS**  trans81.7101.3143.8-61-5.7000119.9
27N36.7Very low35.5Very low141 Ų141134.8 Ų134.875%0.75477%0.77SS**  127.3105.4124.4-64.1-20.5000116.1
28N33.4Very low35.5Very low150 Ų150133.2 Ų133.280%0.80276%0.761SS**  trans13.2127.4135.6-49.5-12.2000117.8
29T35.8Very low35.6Very low131 Ų131135.7 Ų135.780%0.80476%0.761SS**  -171.7113.5127.5-77.70000111.4
30V35.8Very low35.6Very low115 Ų115133.9 Ų133.970%0.69775%0.752SS**  trans47.3112.7145.5-174.30000119.6L32V30-L32 HydrophobicContact CG1-CD2 4.12Å; V30-L32 HydrophobicContact CG1-CG 4.23Å
31C32.7Very low35.5Very low129 Ų129133.6 Ų133.687%0.87276%0.756SS**  trans-72.7135.3156.9-55.20000110.5
32L34.8Very low35.7Very low159 Ų159133.6 Ų133.683%0.83276%0.763SS**  trans-114.2123.3165.6-70.7175.7000109.6V30V30-L32 HydrophobicContact CG1-CD2 4.12Å; V30-L32 HydrophobicContact CG1-CG 4.23Å
33S32.2Very low35.9Very low106 Ų106132.2 Ų132.274%0.74176%0.763SS**  trans-67.1145.3177.8-52.70000111.6T35S33-T35 PolarHBondContact O-N 3.28Å; S33-T35 VanDerWaalsContact O-N 3.12Å
34P43.9Very low36.1Very low125 Ų125134.7 Ų134.781%0.81276%0.761SS**  trans-74.7102.3172.530.1-32.3000110.3I36P34-I36 PolarHBondContact O-N 3.13Å
35T38.8Very low36.3Very low124 Ų124140.5 Ų140.576%0.76177%0.768SS**  trans-62.1123.4169.9-57.60000110.2S33 L37S33-T35 PolarHBondContact O-N 3.28Å; S33-T35 VanDerWaalsContact O-N 3.12Å; T35-L37 PolarHBondContact O-N 2.94Å; T35-L37 VanDerWaalsContact O-N 3.13Å
36I37.7Very low36Very low154 Ų154141.5 Ų141.579%0.7978%0.775SS**  trans-68.1108172.7-63176.3000108.6P34 N38P34-I36 PolarHBondContact O-N 3.13Å; I36-N38 PolarHBondContact O-N 3.36Å; I36-N38 VanDerWaalsContact O-N 3.1Å
37L34.7Very low36.6Very low135 Ų135140.9 Ų140.971%0.70778%0.779SS**  trans-77.892.2167.8-80.1174.1000109.9T35 F39T35-L37 PolarHBondContact O-N 2.94Å; T35-L37 VanDerWaalsContact O-N 3.13Å; L37-F39 HydrophobicContact CB-CD2 4.1Å; L37-F39 HydrophobicContact CB-CE2 3.82Å; L37-F39 HydrophobicContact CD1-CE2 4.1Å; L37-F39 HydrophobicContact CG-CE2 4.45Å; L37-F39 PolarHBondContact O-N 2.89Å; L37-F39 VanDerWaalsContact O-N 3.08Å
38N32.9Very low36.8Very low125 Ų125142.7 Ų142.767%0.66878%0.782SS**  trans-69.392.2170.218022.2000110.5I36 N40I36-N38 PolarHBondContact O-N 3.36Å; I36-N38 VanDerWaalsContact O-N 3.1Å; N38-N40 VanDerWaalsContact C-N 3.28Å; N38-N40 PolarHBondContact O-N 3.29Å; N38-N40 VanDerWaalsContact O-N 3.11Å
39F37.4Very low37Very low179 Ų179143.2 Ų143.279%0.78578%0.784SS**  trans-8468.6171.7-79-76.8000111.7L37L37-F39 HydrophobicContact CB-CD2 4.1Å; L37-F39 HydrophobicContact CB-CE2 3.82Å; L37-F39 HydrophobicContact CD1-CE2 4.1Å; L37-F39 HydrophobicContact CG-CE2 4.45Å; L37-F39 PolarHBondContact O-N 2.89Å; L37-F39 VanDerWaalsContact O-N 3.08Å
40N35.2Very low37.2Very low131 Ų131143.4 Ų143.470%0.70178%0.779SS**  trans-11395.8162.4-103-21.4000108.9N38N38-N40 VanDerWaalsContact C-N 3.28Å; N38-N40 PolarHBondContact O-N 3.29Å; N38-N40 VanDerWaalsContact O-N 3.11Å
41N34.6Very low37.1Very low157 Ų157145.3 Ų145.384%0.8479%0.785SS**  trans-148.597.3170-124.1-9000109.3
42P37.7Very low37.5Very low119 Ų119147.9 Ų147.977%0.77378%0.782SS**  trans-89.3110.1177.432.7-28.9000110.1
43S36.9Very low38Very low99 Ų99145.6 Ų145.669%0.69278%0.777SS**  trans-162.5135.9170-93.80000113.4
44Y36.7Very low38.4Very low214 Ų214146.6 Ų146.684%0.83978%0.78SS**  trans57.996.6171.3-60.9-78000118.3
45Y38.3Very low38.7Very low230 Ų230150.1 Ų150.190%0.90279%0.786SS**  -171.1116.9107.2-113.6-82.4000110.4
46S31.7Very low38.6Very low112 Ų112153 Ų15378%0.78379%0.791SS**PPolyproline II helixtrans-101.4139.3170.6-66.80000110.8
47P50.1Low38.7Very low123 Ų123154 Ų15480%0.79980%0.797SS**PPolyproline II helixtrans-98.8141146.9-0.520.7000109.6
48H40.8Very low38.4Very low179 Ų179154.7 Ų154.783%0.82980%0.801SS**PPolyproline II helixtrans-64.3144.1-174.2-88.8-99.4000114.3
49L38.4Very low38.7Very low161 Ų161153.9 Ų153.984%0.84381%0.806SS**PPolyproline II helixtrans-62.6127.2153.1-73.1163000109.5
50I39.3Very low38.7Very low136 Ų136153.8 Ų153.870%0.69781%0.808SS**  trans-131.9106154.6-61.8-177.8000107F52I50-F52 HydrophobicContact CG2-CD2 3.58Å; I50-F52 HydrophobicContact CG2-CE2 3.69Å
51N34.8Very low39Very low155 Ų155157.4 Ų157.483%0.82982%0.818SS**  trans-80.4135162.2-92.9-5.2000108.3
52F40.7Very low39.1Very low183 Ų183156.7 Ų156.780%0.80381%0.814SS**  trans-129.4138.2152.6-90.3-80.6000108.8I50I50-F52 HydrophobicContact CG2-CD2 3.58Å; I50-F52 HydrophobicContact CG2-CE2 3.69Å
53P44.4Very low39.5Very low111 Ų111159.8 Ų159.872%0.72182%0.818SS**  trans-80.7162.9-178.334.5-35.3000111.9
54P41.7Very low39.5Very low126 Ų126162.7 Ų162.782%0.81883%0.825SS**  trans-88.8138.6179.434.5-32.2000112.2
55E49.7Very low39.8Very low200 Ų200157.2 Ų157.294%0.93582%0.816SS**  trans-119.6146.9159.6-78.7-168.1150.900110.8
56Q36.8Very low39.9Very low185 Ų185154.8 Ų154.886%0.86481%0.812SS**  trans-88.1148.5-179.2-58.1172.3-27.900109.7
57L39.3Very low40.4Very low174 Ų174156.4 Ų156.491%0.91181%0.807SS**  trans-165.6146.2136.1-105.7167.1000110.4
58N29.9Very low39.9Very low149 Ų149157.8 Ų157.880%0.79780%0.803SS**  trans-97.9-166.3-171-66.3-44000111.9
59S39.1Very low39.8Very low109 Ų109156.8 Ų156.876%0.76280%0.799SS**  trans77.8106177.370.80000114.2
60E36Very low39.8Very low176 Ų176157.4 Ų157.482%0.82280%0.797SS**  85.6111.155.1-173.3173-132.200111.1
61F42.9Very low39.8Very low208 Ų208159.6 Ų159.691%0.91280%0.804SS**  trans-177.8127141.7-103.7-67.5000110.7
62D37.1Very low40Very low141 Ų141160.7 Ų160.775%0.75480%0.804SS**  trans-66.3152.4172.4-70.2-65.6000112.5
63H44.6Very low39.7Very low185 Ų185161 Ų16186%0.85681%0.808SS**  -178.4151.6112.8-98.260.4000114.9
64N37.1Very low39.6Very low160 Ų160163.9 Ų163.986%0.85681%0.811SS**  trans-41.6160.2-174.7-113-19000120.1
65P44.2Very low39.3Very low99 Ų99165.9 Ų165.964%0.64381%0.81SS**  trans-103.1147.7-174.738.6-31.7000115.2
66H40.5Very low38.7Very low178 Ų178165.1 Ų165.182%0.82481%0.806SS**  trans-165.6157.2144.8-113.940000113.5
67H41.8Very low38.7Very low146 Ų146163.5 Ų163.568%0.67680%0.803SS**  trans83140155.5-104.9-67000122.4
68H39.3Very low38.9Very low153 Ų153162.5 Ų162.571%0.70880%0.804SS**  trans70.8104.2170.3-62.588.2000116.4
69Q38.1Very low39.2Very low158 Ų158163.5 Ų163.574%0.73880%0.801SS**  cis84131.338.8-157.9174.26.700113.6
70Q38.3Very low39.2Very low173 Ų173165.2 Ų165.281%0.80881%0.807SS**  trans75.4100.5-177.4-52.8177.62200116.3
71Q40.4Very low39.5Very low182 Ų182165 Ų16585%0.8580%0.803SS**  -162.7128116.3-102.116957.900112.2
72H38.5Very low39.3Very low178 Ų178163.1 Ų163.182%0.82480%0.802SS**  trans47.7104.2160.7-59.7-64.7000122.1
73Q33.4Very low39.4Very low189 Ų189163.3 Ų163.388%0.88380%0.803SS**  trans-68.3136.8157.1-57.5166.6-2.100111
74H42.1Very low39Very low172 Ų172161.9 Ų161.980%0.79680%0.802SS**  trans-161.4141.5150.5-119.1-89.7000110.2
75H37.1Very low39.3Very low168 Ų168164.1 Ų164.178%0.77880%0.804SS**  trans70.953.7174-66.9-79.9000119.9
76E36.9Very low39Very low185 Ų185167.3 Ų167.386%0.86482%0.815SS**  -116.8154.6129.2-81.9-141.8134.200109.6
77N37.2Very low39Very low151 Ų151166.5 Ų166.581%0.80782%0.816SS**  trans10359.3-176.4-60.3-56.4000118K79N77-K79 PolarHBondContact O-N 2.96Å; N77-K79 VanDerWaalsContact O-N 3.16Å
78V41.8Very low39.1Very low152 Ų152167.3 Ų167.392%0.92182%0.822SS**  trans-84.177.2149.5-176.30000109.4T80V78-T80 PolarHBondContact O-N 3.34Å
79K37.7Very low38.9Very low171 Ų171167.9 Ų167.974%0.74383%0.83SS**  trans9.5103.6159.1-70.9167.4-179.3168.20117.4N77 K81N77-K79 PolarHBondContact O-N 2.96Å; N77-K79 VanDerWaalsContact O-N 3.16Å; K79-K81 HydrophobicContact CB-CB 4.41Å; K79-K81 PolarHBondContact O-N 3.23Å; K79-K81 VanDerWaalsContact O-N 3.11Å
80T37.9Very low38.7Very low144 Ų144165.7 Ų165.788%0.88383%0.832SS**  -49.5103.6124.8390000109.9V78V78-T80 PolarHBondContact O-N 3.34Å
81K42.7Very low38.8Very low171 Ų171167.1 Ų167.174%0.74384%0.836SS**  trans-173.575.3162.4-108.6169.8-173.2-172.80110.5K79K79-K81 HydrophobicContact CB-CB 4.41Å; K79-K81 PolarHBondContact O-N 3.23Å; K79-K81 VanDerWaalsContact O-N 3.11Å
82L39.3Very low38.6Very low170 Ų170166.1 Ų166.189%0.8984%0.835SS**  trans-137.317.1168.8-120.8173000113.4
83N38Very low38.9Very low145 Ų145163.3 Ų163.378%0.77583%0.833SS**SBendtrans-110140153.9-70.2-24.8000105.8
84D36.9Very low38.8Very low155 Ų155160.2 Ų160.283%0.82983%0.827SS**  trans109.858.1-173-60.3-17.1000114.8
85K42.9Very low38.6Very low206 Ų206161.1 Ų161.190%0.89683%0.831SS**SBendtrans-149.89.7160-118.8-174.4-173.5-159.60117
86L38Very low38.6Very low167 Ų167161.4 Ų161.487%0.87483%0.833SS**  trans-127.453176.2-83166.7000111.5
87L41.6Very low38.5Very low160 Ų160162 Ų16284%0.83884%0.835SS**SBendtrans-129.240.8168.4-161.481.3000111.4
88M43.2Very low38.7Very low164 Ų164159.4 Ų159.481%0.80883%0.825SS**  trans-154.787.4165.9-75.8-55.3157.600108.7
89N34.9Very low38.6Very low164 Ų164158.8 Ų158.888%0.87782%0.816SS**  trans-16651.3161.7-98.7-19.7000111.1
90S34.9Very low38.8Very low113 Ų113156.6 Ų156.679%0.7981%0.813SS**  trans-107.76917044.70000110.2
91K40.5Very low39Very low203 Ų203157.1 Ų157.188%0.88381%0.811SS**  trans-133.6108.9165.6-78.4-162.9172.5-172.20111.3
92L36.1Very low38.8Very low160 Ų160152.1 Ų152.184%0.83881%0.808SS**PPolyproline II helixtrans-62.6137.7167-127.470.9000110
93P43.4Very low38.8Very low119 Ų119152.2 Ų152.277%0.77381%0.809SS**PPolyproline II helixtrans-84.4116.2157-5.924.6000109.1
94T33Very low38.8Very low125 Ų125152.4 Ų152.477%0.76781%0.808SS**PPolyproline II helixtrans-75.1128.9166.746.30000110.1
95H37.8Very low38.9Very low190 Ų190153.3 Ų153.388%0.8881%0.809SS**  trans-133.4133.5156.1-102.9-86.5000109.5
96H35.6Very low38.8Very low175 Ų175149.8 Ų149.881%0.8180%0.8SS**  trans-68.7137178.2-76.9-90.5000111.4
97E34.9Very low38.7Very low196 Ų196147.5 Ų147.592%0.91680%0.796SS**  trans-142.7153.8136.3-133.3165.2-170.500108.8
98V41Very low38.5Very low98 Ų98146.2 Ų146.259%0.59479%0.789SS**  trans-129.8152.6-152.4177.90000110.1
99N40.5Very low38.1Very low138 Ų138145.9 Ų145.974%0.73879%0.79SS**  trans78.8141.9-179.6-46.9-51.1000113.8
100N42.7Very low38.3Very low126 Ų126145.3 Ų145.367%0.67479%0.785SS**  cis-152.7161.2-0.4-110.7-1.2000109.5
101D40.7Very low38.4Very low155 Ų155148 Ų14883%0.82979%0.785SS**  trans58.7129.7162.9-43.6-34.7000117.7
102G39Very low37.9Very low66 Ų66147 Ų14768%0.6878%0.783SS**  cis136.857.29.900000112.3
103N40.1Very low37.9Very low171 Ų171146.7 Ų146.791%0.91478%0.783SS**  trans-172.8131.9147.6-99.2-29.2000112.6
104I36.3Very low37.4Very low150 Ų150146.1 Ų146.177%0.76978%0.782SS**  trans-99.6130169.3-66.7169000107.3
105M40.5Very low37.6Very low173 Ų173146.7 Ų146.785%0.85278%0.784SS**  trans-135.1121157.4-158.6169.8-179.400109
106N39.2Very low37.3Very low132 Ų132144.3 Ų144.371%0.70678%0.778SS**  trans-77.8161.7-177.4-91.4-23.5000111.5
107P37Very low37Very low120 Ų120145 Ų14578%0.77978%0.779SS**  trans-74.6152.6-162.130.5-36.7000113.3
108I37.9Very low36.9Very low133 Ų133140.7 Ų140.768%0.68277%0.769SS**  trans-113.2116.1174.2-69.5172.7000108.6I110I108-I110 HydrophobicContact CG2-CD1 4.37Å; I108-I110 HydrophobicContact CG2-CG1 3.94Å
109D33.5Very low36.3Very low157 Ų157142.9 Ų142.984%0.8478%0.778SS**  trans-68.4135.6163.8-67.5-60.9000110.2
110I39.3Very low36.1Very low151 Ų151145.2 Ų145.277%0.77478%0.784SS**  trans-132.696.8161.7-57.3-174.7000109.3I108I108-I110 HydrophobicContact CG2-CD1 4.37Å; I108-I110 HydrophobicContact CG2-CG1 3.94Å
111H38.1Very low35.5Very low170 Ų170144.5 Ų144.579%0.78779%0.789SS**  trans45.5124.8138.2-97.1-93000121.5
112E29.2Very low35.3Very low182 Ų182142.3 Ų142.385%0.8579%0.785SS**  trans-59.3146.2148.9-57.8-175.1134.600110.9
113D36.8Very low35.1Very low154 Ų154145.4 Ų145.482%0.82479%0.786SS**  trans-143.2118150.7-108-34.7000110.5
114S32.5Very low34.7Very low107 Ų107143.7 Ų143.775%0.74878%0.776SS**  trans-90.5116.4179.961.40000110.9
115V37.5Very low34.7Very low136 Ų136143.2 Ų143.282%0.82478%0.78SS**  trans-127.4114.2169.8-169.40000113.4
116N31Very low34.3Very low141 Ų141142.5 Ų142.575%0.75477%0.774SS**  trans-42.6130.7172.4-68.8-67.6000117
117K29.8Very low34.2Very low190 Ų190141.8 Ų141.883%0.82678%0.78SS**  49.6108114.4-161.1-177.9-169.1177.60117.8
118C31.7Very low34.2Very low104 Ų104140.5 Ų140.570%0.70377%0.773SS**  trans-139.6117.2152.7-164.60000111
119N28.3Very low34.4Very low145 Ų145141.6 Ų141.678%0.77578%0.779SS**  trans-85.9138.2158.5-70.7-17.3000106.9
120Q37Very low34.6Very low187 Ų187141 Ų14187%0.87478%0.776SS**  trans-124131.3159.5-73.4-166.70.500111.2
121S30Very low34.2Very low111 Ų111141.5 Ų141.578%0.77678%0.78SS**  trans-108.7140.2-173.8-46.80000109.6
122S37.1Very low34.5Very low108 Ų108139.5 Ų139.576%0.75578%0.78SS**  trans-171.5144.3158.549.10000109.5
123N33.5Very low35.1Very low131 Ų131137.6 Ų137.670%0.70178%0.781SS**  cis-163.3143.7-18-105.5-26.2000107.8
124I32Very low35.1Very low136 Ų136133.6 Ų133.670%0.69778%0.776SS**  trans51.1121.8137.8-52.6166.8000117
125V37.5Very low35.7Very low140 Ų140138.4 Ų138.485%0.84878%0.783SS**  -150.5150.382.3163.90000112.3
126H32.4Very low35.7Very low157 Ų157141.5 Ų141.573%0.72779%0.785SS**  trans-89.1152.3-175.2-89.3-103.4000116.7
127S36.5Very low36.2Very low118 Ų118141.9 Ų141.983%0.82579%0.793SS**  177.4110.1125.332.70000109.1
128S36.1Very low36.7Very low92 Ų92142.9 Ų142.964%0.64380%0.797SS**  86.5142.350.7-660000114.5
129I42Very low37.2Very low156 Ų156143.8 Ų143.880%0.881%0.805SS**  trans80.1127.1-179.7-58171.6000113.3
130N39.3Very low37.8Very low145 Ų145142 Ų14278%0.77580%0.804SS**  cis-159.8176.5-16.8-111.4-10.8000111.3
131N30.4Very low38.1Very low162 Ų162138.5 Ų138.587%0.86680%0.795SS**  trans-152.3147.1168.1-105.5-26.5000110.4
132T43.1Very low38.4Very low127 Ų127142.6 Ų142.678%0.77980%0.799SS**  trans-137.3120.1170.341.70000113.6
133T41.7Very low38.5Very low143 Ų143144 Ų14488%0.87780%0.803SS**  trans21.5137.9141.362.60000120.3
134G38.8Very low38.8Very low69 Ų69142.8 Ų142.871%0.71181%0.811SS**  cis150.2-179.87.200000111.6
135K43.5Very low39.1Very low209 Ų209146.1 Ų146.191%0.90982%0.821SS**  trans97.892.9172.7-58.2177.5-179.9174.10119.4
136K37.5Very low39.4Very low200 Ų200148.3 Ų148.387%0.8782%0.822SS**  26.8127.6127.5-58.7175.6179.3177.10120.5
137T42.8Very low39.7Very low150 Ų150145.4 Ų145.492%0.9282%0.819SS**  -164.5166.6108.126.70000110.9
138K39.7Very low39.7Very low210 Ų210145.5 Ų145.591%0.91382%0.815SS**  trans-115.6132.1-165.4-63.8175.1178.11770113.3
139S42.1Very low39.7Very low123 Ų123147.6 Ų147.686%0.8682%0.824SS**  trans-171.8160.8138.560.50000108.2
140S40.7Very low39.6Very low107 Ų107145.4 Ų145.475%0.74882%0.818SS**  cis-167.5153.7-45.7-1690000104.4
141V43Very low39.8Very low114 Ų114146.2 Ų146.269%0.69182%0.817SS**  trans80.3102.6166.6-165.50000118.7
142K36.9Very low40.3Very low197 Ų197144.7 Ų144.786%0.85781%0.808SS**  trans65.684.3145.5-62.4173-175.2176.90119.7
143T38.6Very low40.5Very low139 Ų139147.6 Ų147.685%0.85381%0.81SS**  trans-123.5123.1141.238.50000109.7
144A39.9Very low40.7Very low105 Ų105146.8 Ų146.887%0.86880%0.798SS**  trans-89.5106.1178.200000110.2
145K38Very low41.1Very low206 Ų206150 Ų15090%0.89679%0.793SS**  trans-93.9111.2160.2-72.9-177.4177.8179.60108.1
146Q45.2Very low41.1Very low185 Ų185145.8 Ų145.886%0.86478%0.78SS**  trans-120.6134.9163.2-87.3-172.7-0.400110.3
147S38.7Very low41.9Very low97 Ų97139 Ų13968%0.67876%0.758SS**  trans19.9119.8154.5-46.40000118.9
148T35.2Very low42.5Very low120 Ų120135.7 Ų135.774%0.73674%0.737SS**  52.5127.469.672.80000115.1
149T37.4Very low43.4Very low136 Ų136130.1 Ų130.183%0.83472%0.717SS**  trans72.850.4154.1-38.80000119
150V40Very low44.4Very low110 Ų110127.7 Ų127.767%0.66770%0.7SS**  trans-139.264169.1-161.50000114.7
151Q42.2Very low45.5Very low162 Ų162129 Ų12976%0.75769%0.692SS**SBendtrans-134.8-19.8164.9-72.3-163.2-200116.6
152N42.3Very low46.2Very low129 Ų129127.8 Ų127.869%0.6968%0.682SS**Hα-helixtrans-95.4-11.1-179.8-77.5-11.3000115.8
153K46.3Very low47.6Very low188 Ų188124.1 Ų124.182%0.81767%0.668SS**Hα-helixtrans-78-26.1177-87.1-177.7173.8177.90114.5
154M45.3Very low49.1Very low126 Ų126122.9 Ų122.962%0.62166%0.655SS**Hα-helixtrans-73.3-43.3-179.4-81.1-174.6-86.800113.1N156 S157 T158M154-N156 VanDerWaalsContact C-N 3.31Å; M154-N156 PolarHBondContact O-N 3.42Å; M154-S157 WeakPolarHBondContact O-CB 3.4Å; M154-S157 PolarHBondContact O-N 3.07Å; M154-T158 PolarHBondContact O-N 3.22Å; M154-T158 PolarHBondContact O-OG1 3.02Å
155K47.1Very low50.5Low137 Ų137121.7 Ų121.760%0.59663%0.633SS**Hα-helixtrans-58.4-39.9-175.5-66178-178.7173.20112.8I159K155-I159 WeakPolarHBondContact O-CD1 3.42Å; K155-I159 VanDerWaalsContact O-CG1 3.29Å; K155-I159 WeakPolarHBondContact O-CG1 3.44Å; K155-I159 PolarHBondContact O-N 3.34Å; K155-I159 VanDerWaalsContact O-N 3.11Å
156N44.3Very low51.5Low120 Ų120116.4 Ų116.464%0.64262%0.615SS**Hα-helixtrans-70.7-32.4177.2-66.95.3000112.4M154 S160M154-N156 VanDerWaalsContact C-N 3.31Å; M154-N156 PolarHBondContact O-N 3.42Å; N156-S160 WeakPolarHBondContact O-CB 3.49Å; N156-S160 PolarHBondContact O-N 3.46Å
157S53.3Low52.8Low59 Ų59113.8 Ų113.841%0.41360%0.601SS.*Hα-helixtrans-68.7-42.9175.3-170.50000112M154 S160 K161M154-S157 WeakPolarHBondContact O-CB 3.4Å; M154-S157 PolarHBondContact O-N 3.07Å; S157-S160 PolarHBondContact O-N 3.33Å; S157-K161 WeakPolarHBondContact O-CG 3.29Å; S157-K161 PolarHBondContact O-N 3Å
158T57.1Low54.1Low79 Ų79114.7 Ų114.749%0.48559%0.594SS.*Hα-helixtrans-67.4-37.4176.6-4.90000112.3M154 N162M154-T158 PolarHBondContact O-N 3.22Å; M154-T158 PolarHBondContact O-OG1 3.02Å; T158-N162 WeakPolarHBondContact O-CB 3.47Å; T158-N162 PolarHBondContact O-N 3.37Å; T158-N162 PolarHBondContact O-ND2 2.79Å; T158-N162 VanDerWaalsContact O-ND2 3.09Å
159I56.9Low55.7Low94 Ų94113.1 Ų113.148%0.48258%0.58SS.*Hα-helixtrans-62.4-45.8173.7-71.2166.9000110.4K155 N162 Q163K155-I159 WeakPolarHBondContact O-CD1 3.42Å; K155-I159 VanDerWaalsContact O-CG1 3.29Å; K155-I159 WeakPolarHBondContact O-CG1 3.44Å; K155-I159 PolarHBondContact O-N 3.34Å; K155-I159 VanDerWaalsContact O-N 3.11Å; I159-N162 PolarHBondContact O-N 3.45Å; I159-Q163 WeakPolarHBondContact O-CG 3.37Å; I159-Q163 PolarHBondContact O-N 3.31Å
160S63Low57Low71 Ų71109.7 Ų109.750%0.49756%0.557SS.*Hα-helixtrans-62.6-46.9177.4-175.40000112.5N156 S157 N162 Q163 L164N156-S160 WeakPolarHBondContact O-CB 3.49Å; N156-S160 PolarHBondContact O-N 3.46Å; S157-S160 PolarHBondContact O-N 3.33Å; S160-N162 PolarHBondContact O-N 3.47Å; S160-Q163 PolarHBondContact O-N 2.94Å; S160-Q163 VanDerWaalsContact O-N 3.12Å; S160-L164 PolarHBondContact O-N 2.68Å
161K65.5Low58.2Low135 Ų135110.6 Ų110.659%0.58755%0.554SS**Hα-helixtrans-58.9-45.1175.7-74.8-179.4178.7-177.40112.3S157 Q163 L164 I165S157-K161 WeakPolarHBondContact O-CG 3.29Å; S157-K161 PolarHBondContact O-N 3Å; K161-Q163 VanDerWaalsContact C-N 3.31Å; K161-Q163 PolarHBondContact O-N 3.38Å; K161-L164 PolarHBondContact O-N 3.18Å; K161-I165 WeakPolarHBondContact O-CD1 3.47Å; K161-I165 VanDerWaalsContact O-CG1 3.26Å; K161-I165 WeakPolarHBondContact O-CG1 3.37Å; K161-I165 PolarHBondContact O-N 3.47Å
162N56.1Low59.2Low89 Ų89107.2 Ų107.248%0.47654%0.541SS..Hα-helixtrans-64.3-34.9176.3-76.4-39.9000112.2T158 I159 S160 N166T158-N162 WeakPolarHBondContact O-CB 3.47Å; T158-N162 PolarHBondContact O-N 3.37Å; T158-N162 PolarHBondContact O-ND2 2.79Å; T158-N162 VanDerWaalsContact O-ND2 3.09Å; I159-N162 PolarHBondContact O-N 3.45Å; S160-N162 PolarHBondContact O-N 3.47Å; N162-N166 WeakPolarHBondContact O-CB 3.4Å; N162-N166 PolarHBondContact O-N 3.45Å; N162-N166 VanDerWaalsContact O-N 3.12Å; N162-N166 PolarHBondContact O-ND2 3.48Å
163Q67.1Low60.4Low120 Ų120104.5 Ų104.556%0.56153%0.526SS*.Hα-helixtrans-67.4-40172.9-72.7-178.437.100112.3I159 S160 K161 N166 K167I159-Q163 WeakPolarHBondContact O-CG 3.37Å; I159-Q163 PolarHBondContact O-N 3.31Å; S160-Q163 PolarHBondContact O-N 2.94Å; S160-Q163 VanDerWaalsContact O-N 3.12Å; K161-Q163 VanDerWaalsContact C-N 3.31Å; K161-Q163 PolarHBondContact O-N 3.38Å; Q163-N166 PolarHBondContact O-N 3.01Å; Q163-K167 PolarHBondContact O-N 2.99Å; Q163-K167 VanDerWaalsContact O-N 3.08Å
164L70.3Confident61.1Low112 Ų11299.1 Ų99.159%0.58651%0.506SS*.Hα-helixtrans-64.5-49177.6-143.483.8000111.6S160 K161 N166 K167 E168S160-L164 PolarHBondContact O-N 2.68Å; K161-L164 PolarHBondContact O-N 3.18Å; L164-N166 VanDerWaalsContact C-N 3.27Å; L164-N166 PolarHBondContact O-N 3.11Å; L164-K167 WeakPolarHBondContact O-CA 3.35Å; L164-K167 WeakPolarHBondContact O-CB 3.36Å; L164-K167 PolarHBondContact O-N 3.1Å; L164-E168 PolarHBondContact O-N 2.86Å
165I69.5Low61.9Low80 Ų8096.5 Ų96.541%0.4150%0.5SS..Hα-helixtrans-57.8-40.8176.9-67.6162.7000110.9K161 K167 E168 I169K161-I165 WeakPolarHBondContact O-CD1 3.47Å; K161-I165 VanDerWaalsContact O-CG1 3.26Å; K161-I165 WeakPolarHBondContact O-CG1 3.37Å; K161-I165 PolarHBondContact O-N 3.47Å; I165-K167 VanDerWaalsContact C-N 3.35Å; I165-K167 PolarHBondContact O-N 2.95Å; I165-E168 PolarHBondContact O-N 2.92Å; I165-I169 HydrophobicContact CG2-CD1 3.68Å; I165-I169 HydrophobicContact CG2-CG1 4.36Å; I165-I169 WeakPolarHBondContact O-CB 3.41Å; I165-I169 VanDerWaalsContact O-CG1 3.24Å; I165-I169 WeakPolarHBondContact O-CG1 3.36Å; I165-I169 PolarHBondContact O-N 3.3Å
166N58.5Low62.5Low95 Ų9595 Ų9551%0.50850%0.498SS..Hα-helixtrans-68.3-30.4176.2-78.6-60.8000112.9N162 Q163 L164 N170N162-N166 WeakPolarHBondContact O-CB 3.4Å; N162-N166 PolarHBondContact O-N 3.45Å; N162-N166 VanDerWaalsContact O-N 3.12Å; N162-N166 PolarHBondContact O-ND2 3.48Å; Q163-N166 PolarHBondContact O-N 3.01Å; L164-N166 VanDerWaalsContact C-N 3.27Å; L164-N166 PolarHBondContact O-N 3.11Å; N166-N170 VanDerWaalsContact O-CG 3.27Å; N166-N170 PolarHBondContact O-N 2.94Å; N166-N170 PolarHBondContact O-ND2 3.24Å
167K71.9Confident62.9Low131 Ų13193.5 Ų93.557%0.5749%0.489SS*.Hα-helixtrans-69.2-50.3171.6-73.7-179175.7-174.70111Q163 L164 I165 I169 N170 E171Q163-K167 PolarHBondContact O-N 2.99Å; Q163-K167 VanDerWaalsContact O-N 3.08Å; L164-K167 WeakPolarHBondContact O-CA 3.35Å; L164-K167 WeakPolarHBondContact O-CB 3.36Å; L164-K167 PolarHBondContact O-N 3.1Å; I165-K167 VanDerWaalsContact C-N 3.35Å; I165-K167 PolarHBondContact O-N 2.95Å; K167-I169 VanDerWaalsContact C-N 3.34Å; K167-I169 PolarHBondContact O-N 3.42Å; K167-N170 WeakPolarHBondContact O-CB 3.48Å; K167-N170 PolarHBondContact O-N 3.4Å; K167-E171 PolarHBondContact O-N 2.98Å
168E66.9Low62.9Low115 Ų11595 Ų9554%0.53750%0.496SS..Hα-helixtrans-61.9-37.9-177.7-169.2172.5-159.900112.6L164 I165 N172L164-E168 PolarHBondContact O-N 2.86Å; I165-E168 PolarHBondContact O-N 2.92Å; E168-N172 WeakPolarHBondContact O-CB 3.44Å; E168-N172 PolarHBondContact O-N 3.22Å; E168-N172 VanDerWaalsContact O-N 3.08Å; E168-N172 PolarHBondContact O-ND2 3.35Å
169I69.8Low62.7Low88 Ų8896.1 Ų96.145%0.45150%0.498SS..Hα-helixtrans-64.3-40172.1-71169.3000111.4I165 K167 I173I165-I169 HydrophobicContact CG2-CD1 3.68Å; I165-I169 HydrophobicContact CG2-CG1 4.36Å; I165-I169 WeakPolarHBondContact O-CB 3.41Å; I165-I169 VanDerWaalsContact O-CG1 3.24Å; I165-I169 WeakPolarHBondContact O-CG1 3.36Å; I165-I169 PolarHBondContact O-N 3.3Å; K167-I169 VanDerWaalsContact C-N 3.34Å; K167-I169 PolarHBondContact O-N 3.42Å; I169-I173 HydrophobicContact CG2-CD1 3.84Å; I169-I173 WeakPolarHBondContact O-CB 3.5Å; I169-I173 WeakPolarHBondContact O-CD1 3.49Å; I169-I173 WeakPolarHBondContact O-CG1 3.42Å; I169-I173 PolarHBondContact O-N 3.02Å; I169-I173 VanDerWaalsContact O-N 3.12Å
170N62.7Low62.3Low64 Ų6499 Ų9934%0.34251%0.51SS..Hα-helixtrans-69.9-41.3179.3-73.8-41000112N166 K167 I173 D174N166-N170 VanDerWaalsContact O-CG 3.27Å; N166-N170 PolarHBondContact O-N 2.94Å; N166-N170 PolarHBondContact O-ND2 3.24Å; K167-N170 WeakPolarHBondContact O-CB 3.48Å; K167-N170 PolarHBondContact O-N 3.4Å; N170-I173 PolarHBondContact O-N 3.08Å; N170-D174 PolarHBondContact O-N 3.31Å
171E65.9Low61.8Low129 Ų129101 Ų10160%0.60352%0.519SS*.Hα-helixtrans-66-39.1178-72.1174.2-163.300112.5K167 D174 S175K167-E171 PolarHBondContact O-N 2.98Å; E171-D174 PolarHBondContact O-N 3.07Å; E171-S175 WeakPolarHBondContact O-CB 3.44Å; E171-S175 PolarHBondContact O-N 3.16Å; E171-S175 PolarHBondContact O-OG 3.08Å
172N64Low61.2Low90 Ų90102.8 Ų102.848%0.48153%0.527SS..Hα-helixtrans-66.4-38.7173.8-80.5-63.6000112.3E168 S175 L176E168-N172 WeakPolarHBondContact O-CB 3.44Å; E168-N172 PolarHBondContact O-N 3.22Å; E168-N172 VanDerWaalsContact O-N 3.08Å; E168-N172 PolarHBondContact O-ND2 3.35Å; N172-S175 PolarHBondContact O-N 2.95Å; N172-L176 WeakPolarHBondContact O-CG 3.29Å; N172-L176 PolarHBondContact O-N 3.45Å
173I66Low60.7Low73 Ų73105 Ų10537%0.37454%0.539SS..Hα-helixtrans-63.6-43.6174.4-72.8167.7000110.7I169 N170 S175 L176 N177I169-I173 HydrophobicContact CG2-CD1 3.84Å; I169-I173 WeakPolarHBondContact O-CB 3.5Å; I169-I173 WeakPolarHBondContact O-CD1 3.49Å; I169-I173 WeakPolarHBondContact O-CG1 3.42Å; I169-I173 PolarHBondContact O-N 3.02Å; I169-I173 VanDerWaalsContact O-N 3.12Å; N170-I173 PolarHBondContact O-N 3.08Å; I173-S175 VanDerWaalsContact C-N 3.31Å; I173-S175 PolarHBondContact O-N 2.68Å; I173-L176 PolarHBondContact O-N 2.93Å; I173-N177 WeakPolarHBondContact CG2-ND2 3.41Å; I173-N177 PolarHBondContact O-N 3.03Å; I173-N177 VanDerWaalsContact O-N 3.11Å; I173-N177 PolarHBondContact O-ND2 3.13Å
174D61Low59.9Low75 Ų75107.4 Ų107.440%0.40155%0.55SS..Hα-helixtrans-69.7-30.9-179.2-72.3-8.8000112.4N170 E171 T178 K220N170-D174 PolarHBondContact O-N 3.31Å; E171-D174 PolarHBondContact O-N 3.07Å; D174-T178 PolarHBondContact O-OG1 2.96Å; D174-K220 IonicContact OD1-NZ 3.68Å; D174-K220 PolarHBondContact OD1-NZ 3.38Å; D174-K220 IonicContact OD2-NZ 2.72Å
175S63.6Low58.8Low70 Ų70109.1 Ų109.149%0.4956%0.559SS.*Hα-helixtrans-67.3-45.9172-58.60000112.5E171 N172 I173 T178E171-S175 WeakPolarHBondContact O-CB 3.44Å; E171-S175 PolarHBondContact O-N 3.16Å; E171-S175 PolarHBondContact O-OG 3.08Å; N172-S175 PolarHBondContact O-N 2.95Å; I173-S175 VanDerWaalsContact C-N 3.31Å; I173-S175 PolarHBondContact O-N 2.68Å; S175-T178 WeakPolarHBondContact O-CB 3.3Å; S175-T178 PolarHBondContact O-N 3.09Å
176L59.7Low57.7Low107 Ų107113.2 Ų113.256%0.5658%0.581SS**Hα-helixtrans-65.7-42.2179.9-72170.6000112.7N172 I173 T178 I179 E180N172-L176 WeakPolarHBondContact O-CG 3.29Å; N172-L176 PolarHBondContact O-N 3.45Å; I173-L176 PolarHBondContact O-N 2.93Å; L176-T178 PolarHBondContact O-N 3.38Å; L176-T178 VanDerWaalsContact O-N 3.12Å; L176-I179 PolarHBondContact O-N 3.4Å; L176-E180 PolarHBondContact O-N 2.91Å
177N51.4Low57.5Low87 Ų87115.7 Ų115.747%0.46559%0.59SS.*Hα-helixtrans-62.2-20.9177.1-75.7-71000113.4I173I173-N177 WeakPolarHBondContact CG2-ND2 3.41Å; I173-N177 PolarHBondContact O-N 3.03Å; I173-N177 VanDerWaalsContact O-N 3.11Å; I173-N177 PolarHBondContact O-ND2 3.13Å
178T54.3Low56.3Low90 Ų90115.1 Ų115.155%0.55260%0.599SS**Hα-helixtrans-78.6-26.2177.1-57.80000112.3D174 S175 L176 T181D174-T178 PolarHBondContact O-OG1 2.96Å; S175-T178 WeakPolarHBondContact O-CB 3.3Å; S175-T178 PolarHBondContact O-N 3.09Å; L176-T178 PolarHBondContact O-N 3.38Å; L176-T178 VanDerWaalsContact O-N 3.12Å; T178-T181 PolarHBondContact O-OG1 3.12Å
179I53.5Low55.6Low104 Ų104118.3 Ų118.353%0.53361%0.612SS.*Hα-helixtrans-85.4-37.7-176.1-62.6169.1000111.4L176 T181 K182L176-I179 PolarHBondContact O-N 3.4Å; I179-T181 PolarHBondContact O-N 3.43Å; I179-T181 VanDerWaalsContact O-N 3.07Å; I179-K182 PolarHBondContact O-N 2.91Å
180E47.3Very low55Low153 Ų153118.4 Ų118.472%0.71562%0.618SS**THydrogen-bonded Turntrans-66.3-11.7-176-67.4-174.7171.700114.7L176L176-E180 PolarHBondContact O-N 2.91Å
181T52.1Low54.3Low115 Ų115125.1 Ų125.171%0.70664%0.64SS**THydrogen-bonded Turntrans-90.20.1-178.458.80000115.3T178 I179T178-T181 PolarHBondContact O-OG1 3.12Å; I179-T181 PolarHBondContact O-N 3.43Å; I179-T181 VanDerWaalsContact O-N 3.07Å
182K53.2Low53.7Low172 Ų172125.7 Ų125.775%0.74865%0.647SS**SBendtrans-118.2-3.1-172.9-67.9-173.4178.7179.70116.6I179I179-K182 PolarHBondContact O-N 2.91Å
183N46.1Very low53.2Low136 Ų136126.6 Ų126.673%0.72766%0.661SS**  trans-108.943.3-169.3-70.2-10.6000114.7
184H49.7Very low52.3Low169 Ų169129.2 Ų129.278%0.78268%0.683SS**  trans-136.9130.4171.8-147.1-44.7000111.7
185L47.5Very low52.1Low149 Ų149133.4 Ų133.478%0.7870%0.704SS**  trans82.790.3176.6-53.6164.1000116.1
186N45.9Very low51.7Low165 Ų165136 Ų13688%0.88272%0.717SS**  trans-160.179.4146.3-98.6-20.2000110.2
187H54.4Low51.7Low148 Ų148136.3 Ų136.369%0.68573%0.725SS**  trans-161.8104.8156.7-138.6-64.9000110.7F189H187-F189 AromaticContact CE1-CD2 3.89Å; H187-F189 AromaticContact CE1-CE2 3.29Å; H187-F189 WeakPolarHBondContact CE1-CE2 3.37Å; H187-F189 AromaticContact CE1-CZ 3.59Å; H187-F189 AromaticContact ND1-CD2 3.53Å; H187-F189 AromaticContact ND1-CE2 3.36Å; H187-F189 WeakPolarHBondContact ND1-CE2 3.34Å
188P47.5Very low52.1Low118 Ų118138.4 Ų138.477%0.76674%0.741SS**  trans-98.9115.31642.718.1000109.6
189F52.6Low52.2Low182 Ų182143.7 Ų143.780%0.79876%0.757SS**  trans-88.9131.4157-81.5-83.1000108.2H187H187-F189 AromaticContact CE1-CD2 3.89Å; H187-F189 AromaticContact CE1-CE2 3.29Å; H187-F189 WeakPolarHBondContact CE1-CE2 3.37Å; H187-F189 AromaticContact CE1-CZ 3.59Å; H187-F189 AromaticContact ND1-CD2 3.53Å; H187-F189 AromaticContact ND1-CE2 3.36Å; H187-F189 WeakPolarHBondContact ND1-CE2 3.34Å
190P56.2Low52.7Low90 Ų90146.8 Ų146.858%0.58477%0.769SS**  trans-98.2164.4-176.636.7-33.6000114
191Y47.9Very low53.3Low205 Ų205144.9 Ų144.980%0.80477%0.769SS**  trans71.4132.5174.7-50.1-73.2000114.6
192D53Low53.7Low142 Ų142148.6 Ų148.676%0.75978%0.776SS**  cis-150.8176.26.6-98.2-37.5000112.6
193S54.9Low54.1Low109 Ų109150.1 Ų150.176%0.76278%0.782SS**  trans92.599.1169.4-530000118.4L195S193-L195 PolarHBondContact O-N 3.43Å
194P47.1Very low54.6Low128 Ų128154 Ų15483%0.83179%0.787SS**  trans-92.584.7173.335.9-32.1000112.6
195L56.3Low55.8Low162 Ų162148.5 Ų148.585%0.84878%0.776SS**  trans-92.8109.5154.2-72.8-179.3000108.4S193 P197S193-L195 PolarHBondContact O-N 3.43Å; L195-P197 WeakPolarHBondContact O-CD 3.38Å; L195-P197 VanDerWaalsContact O-N 3.16Å
196T54.9Low57.1Low126 Ų126147.6 Ų147.677%0.77378%0.779SS**  trans-60.9112.2-173.8500000111.6V198T196-V198 PolarHBondContact O-N 3.45Å
197P60.9Low58.1Low112 Ų112148.2 Ų148.273%0.72777%0.773SS**  trans-74120.1166.30.217.8000106.6L195 K199L195-P197 WeakPolarHBondContact O-CD 3.38Å; L195-P197 VanDerWaalsContact O-N 3.16Å; P197-K199 PolarHBondContact O-N 3.46Å
198V58.6Low59Low132 Ų132150.9 Ų150.980%0.878%0.783SS**  trans-50.8111.3172.1174.80000107.8T196 Q200T196-V198 PolarHBondContact O-N 3.45Å; V198-Q200 PolarHBondContact O-N 3.41Å
199K57.5Low60.5Low201 Ų201154.2 Ų154.287%0.87479%0.786SS**  trans-68.184.3-178.7-74.4178.2179.6169.20108.6P197 P201P197-K199 PolarHBondContact O-N 3.46Å; K199-P201 VanDerWaalsContact O-N 3.17Å
200Q62.6Low61.7Low168 Ų168151.5 Ų151.579%0.78579%0.786SS**  trans-53.7126167.7-72.2-158.2-0.800107.6V198 K202V198-Q200 PolarHBondContact O-N 3.41Å; Q200-K202 PolarHBondContact O-N 3.22Å
201P60.1Low62.9Low113 Ų113150.4 Ų150.473%0.73478%0.775SS**  trans-64.5104.7-179.725.2-32.4000107.3K199 K203K199-P201 VanDerWaalsContact O-N 3.17Å; P201-K203 VanDerWaalsContact C-N 3.32Å; P201-K203 PolarHBondContact O-N 3.09Å
202K62Low64.9Low193 Ų193145 Ų14584%0.83976%0.764SS**  trans-52.9102.4169.9-69.8-173.7178.4-176.50106.2Q200 R204Q200-K202 PolarHBondContact O-N 3.22Å; K202-R204 VanDerWaalsContact C-N 3.29Å; K202-R204 PolarHBondContact O-N 3.03Å
203K60.3Low66.7Low204 Ų204146.7 Ų146.789%0.88776%0.764SS**  trans-59.296.8-179.2-76.6-175.3178178.50106.9P201 G205P201-K203 VanDerWaalsContact C-N 3.32Å; P201-K203 PolarHBondContact O-N 3.09Å; K203-G205 PolarHBondContact O-N 3.48Å
204R57.2Low68.5Low219 Ų219148.3 Ų148.383%0.82676%0.76SS**  trans-69.289.2178-73.5177.4174175.4-2.4106.2K202K202-R204 VanDerWaalsContact C-N 3.29Å; K202-R204 PolarHBondContact O-N 3.03Å
205G73.6Confident70.6Confident53 Ų53150 Ų15055%0.54675%0.749SS.*  trans-50.4151.8167.100000109.5K203 K207K203-G205 PolarHBondContact O-N 3.48Å; G205-K207 PolarHBondContact O-N 3.06Å
206P75.6Confident72.4Confident129 Ų129146 Ų14684%0.83873%0.726SS**  trans-45.4118.2-171.6-30.235000111.2K208P206-K208 PolarHBondContact O-N 3.46Å
207K66.8Low74.3Confident178 Ų178143.1 Ų143.177%0.77471%0.709SS**  trans-51.7112.1179.8-78.1-175176.9-178.70107.2G205 K209G205-K207 PolarHBondContact O-N 3.06Å; K207-K209 PolarHBondContact O-N 3.36Å
208K73.7Confident75.9Confident204 Ų204145 Ų14589%0.88770%0.701SS**  trans-57.4108.9176.5-69.5-179179.8176.90106.5P206P206-K208 PolarHBondContact O-N 3.46Å
209K78.4Confident77.6Confident189 Ų189143.7 Ų143.782%0.82269%0.689SS**PPolyproline II helixtrans-53.8134.5175.7-65.6-175.5179.8-176.90107.1K207 L211K207-K209 PolarHBondContact O-N 3.36Å; K209-L211 PolarHBondContact O-N 3.48Å
210P79Confident79.4Confident125 Ų125137.4 Ų137.481%0.81266%0.662SS**PPolyproline II helixtrans-53.5137.6176.923.4-33.1000108.8
211L81.2Confident81Confident67 Ų67134.1 Ų134.135%0.35165%0.65SS.*PPolyproline II helixtrans-66.6139.8178.4-66.2165.8000107.8K209 R215 E216K209-L211 PolarHBondContact O-N 3.48Å; L211-R215 HydrophobicContact CD2-CG 4.05Å; L211-E216 HydrophobicContact CB-CG 3.49Å; L211-E216 VanDerWaalsContact CB-CG 3.49Å; L211-E216 HydrophobicContact CD1-CG 4.15Å; L211-E216 HydrophobicContact CG-CG 4.47Å
212T90Very high82.8Confident91 Ų91136.5 Ų136.556%0.55864%0.644SS**PPolyproline II helixtrans-64.1144.1169.349.90000108.7E214 R215 E216T212-E214 PolarHBondContact O-N 3.14Å; T212-E214 VanDerWaalsContact O-N 3.09Å; T212-R215 WeakPolarHBondContact O-CA 3.41Å; T212-R215 WeakPolarHBondContact O-CB 3.3Å; T212-R215 PolarHBondContact O-N 3.18Å; T212-R215 WeakPolarHBondContact OG1-CB 3.42Å; T212-E216 PolarHBondContact O-N 3.43Å
213K90.3Very high84.5Confident178 Ų178136.1 Ų136.177%0.77464%0.637SS**Hα-helixtrans-50.8-38.7-179.8-67.3-174.8177.1-176.10112.3E216 T217K213-E216 WeakPolarHBondContact O-CB 3.16Å; K213-E216 PolarHBondContact O-N 3.04Å; K213-T217 WeakPolarHBondContact O-CG2 3.43Å; K213-T217 PolarHBondContact O-N 3.06Å; K213-T217 PolarHBondContact O-OG1 3.4Å
214E92Very high86.2Confident142 Ų142130.2 Ų130.266%0.66462%0.615SS**Hα-helixtrans-61.9-40.1173.6-166.7-149.9146.300113.4T212 E216 T217 R218T212-E214 PolarHBondContact O-N 3.14Å; T212-E214 VanDerWaalsContact O-N 3.09Å; E214-E216 VanDerWaalsContact C-N 3.34Å; E214-T217 PolarHBondContact O-OG1 3.03Å; E214-R218 VanDerWaalsContact O-CB 3.23Å; E214-R218 WeakPolarHBondContact O-CB 3.32Å; E214-R218 PolarHBondContact O-N 3.46Å
215R92.5Very high88.1Confident163 Ų163128.6 Ų128.662%0.61561%0.609SS**Hα-helixtrans-70.2-33.4176.5-171.7173.1177.3-166.62.3111.4L211 T212 L219L211-R215 HydrophobicContact CD2-CG 4.05Å; T212-R215 WeakPolarHBondContact O-CA 3.41Å; T212-R215 WeakPolarHBondContact O-CB 3.3Å; T212-R215 PolarHBondContact O-N 3.18Å; T212-R215 WeakPolarHBondContact OG1-CB 3.42Å; R215-L219 WeakPolarHBondContact O-CB 3.28Å; R215-L219 PolarHBondContact O-N 3.03Å
216E93.3Very high89.3Confident79 Ų79127.8 Ų127.837%0.36960%0.597SS.*Hα-helixtrans-67.2-48.5172.9-62.7-177.216000111.8L211 T212 K213 E214 R218 L219 K220L211-E216 HydrophobicContact CB-CG 3.49Å; L211-E216 VanDerWaalsContact CB-CG 3.49Å; L211-E216 HydrophobicContact CD1-CG 4.15Å; L211-E216 HydrophobicContact CG-CG 4.47Å; T212-E216 PolarHBondContact O-N 3.43Å; K213-E216 WeakPolarHBondContact O-CB 3.16Å; K213-E216 PolarHBondContact O-N 3.04Å; E214-E216 VanDerWaalsContact C-N 3.34Å; E216-R218 VanDerWaalsContact C-N 3.35Å; E216-R218 PolarHBondContact O-N 3.39Å; E216-L219 PolarHBondContact O-N 3.07Å; E216-L219 VanDerWaalsContact O-N 3.14Å; E216-K220 WeakPolarHBondContact O-CG 3.36Å; E216-K220 PolarHBondContact O-N 3.34Å
217T94.6Very high90.4Very high65 Ų65125 Ų12540%0.39958%0.575SS.*Hα-helixtrans-63.3-40.117658.30000111.5K213 E214 L219 K220 N221K213-T217 WeakPolarHBondContact O-CG2 3.43Å; K213-T217 PolarHBondContact O-N 3.06Å; K213-T217 PolarHBondContact O-OG1 3.4Å; E214-T217 PolarHBondContact O-OG1 3.03Å; T217-L219 VanDerWaalsContact C-N 3.3Å; T217-L219 PolarHBondContact O-N 3.08Å; T217-K220 PolarHBondContact O-N 3.43Å; T217-N221 WeakPolarHBondContact O-CB 3.27Å; T217-N221 VanDerWaalsContact O-CG 3.22Å; T217-N221 PolarHBondContact O-N 2.76Å; T217-N221 PolarHBondContact O-ND2 3.2Å
218R94.7Very high91.9Very high151 Ų151119 Ų11957%0.5756%0.559SS**Hα-helixtrans-61.6-36.2173.4-166.1174.4-171.4-167.41.6112.3E214 E216 R222E214-R218 VanDerWaalsContact O-CB 3.23Å; E214-R218 WeakPolarHBondContact O-CB 3.32Å; E214-R218 PolarHBondContact O-N 3.46Å; E216-R218 VanDerWaalsContact C-N 3.35Å; E216-R218 PolarHBondContact O-N 3.39Å; R218-R222 VanDerWaalsContact O-CG 3.31Å; R218-R222 WeakPolarHBondContact O-CG 3.35Å; R218-R222 PolarHBondContact O-N 3.16Å
219L94.8Very high93.1Very high106 Ų106116.7 Ų116.756%0.55555%0.545SS*.Hα-helixtrans-72.4-44.2175.4-175.860.3000112.1R215 E216 T217 N221 R222 R223R215-L219 WeakPolarHBondContact O-CB 3.28Å; R215-L219 PolarHBondContact O-N 3.03Å; E216-L219 PolarHBondContact O-N 3.07Å; E216-L219 VanDerWaalsContact O-N 3.14Å; T217-L219 VanDerWaalsContact C-N 3.3Å; T217-L219 PolarHBondContact O-N 3.08Å; L219-N221 VanDerWaalsContact C-N 3.34Å; L219-N221 PolarHBondContact O-N 3.08Å; L219-R222 PolarHBondContact O-N 3.1Å; L219-R223 PolarHBondContact O-N 3.28Å
220K95.6Very high94Very high68 Ų68111.5 Ų111.530%0.29652%0.523SS..Hα-helixtrans-54.5-49.8171.9-72173.5-178.9172.70110.5D174 E216 T217 R222 R223 I224D174-K220 IonicContact OD1-NZ 3.68Å; D174-K220 PolarHBondContact OD1-NZ 3.38Å; D174-K220 IonicContact OD2-NZ 2.72Å; E216-K220 WeakPolarHBondContact O-CG 3.36Å; E216-K220 PolarHBondContact O-N 3.34Å; T217-K220 PolarHBondContact O-N 3.43Å; K220-R222 PolarHBondContact O-N 3.02Å; K220-R223 WeakPolarHBondContact O-CB 3.39Å; K220-R223 PolarHBondContact O-N 2.96Å; K220-R223 VanDerWaalsContact O-N 3.12Å; K220-I224 WeakPolarHBondContact O-CG1 3.2Å; K220-I224 PolarHBondContact O-N 3.02Å
221N95.9Very high95Very high100 Ų100113.2 Ų113.254%0.53551%0.513SS..Hα-helixtrans-61.6-39.9178.2-72.6-16.8000113.1T217 L219 I224 R225T217-N221 WeakPolarHBondContact O-CB 3.27Å; T217-N221 VanDerWaalsContact O-CG 3.22Å; T217-N221 PolarHBondContact O-N 2.76Å; T217-N221 PolarHBondContact O-ND2 3.2Å; L219-N221 VanDerWaalsContact C-N 3.34Å; L219-N221 PolarHBondContact O-N 3.08Å; N221-I224 PolarHBondContact O-N 2.85Å; N221-R225 WeakPolarHBondContact O-CB 3.42Å; N221-R225 PolarHBondContact O-N 3.1Å
222R97.4Very high95.8Very high162 Ų162113.9 Ų113.961%0.61152%0.524SS*.Hα-helixtrans-62.1-42.8172.8-77.8175.9177.7-144.90.2111.8R218 L219 K220 R225 A226R218-R222 VanDerWaalsContact O-CG 3.31Å; R218-R222 WeakPolarHBondContact O-CG 3.35Å; R218-R222 PolarHBondContact O-N 3.16Å; L219-R222 PolarHBondContact O-N 3.1Å; K220-R222 PolarHBondContact O-N 3.02Å; R222-R225 PolarHBondContact O-N 3.29Å; R222-A226 WeakPolarHBondContact O-CB 3.22Å; R222-A226 PolarHBondContact O-N 3.16Å
223R97.1Very high96.2Very high185 Ų185117 Ų11770%0.69853%0.525SS*.Hα-helixtrans-64.9-44.6177-169.1177.3-176.1-176.5-0.2111.8L219 K220 R225 A226 N227L219-R223 PolarHBondContact O-N 3.28Å; K220-R223 WeakPolarHBondContact O-CB 3.39Å; K220-R223 PolarHBondContact O-N 2.96Å; K220-R223 VanDerWaalsContact O-N 3.12Å; R223-R225 PolarHBondContact O-N 2.96Å; R223-A226 PolarHBondContact O-N 3.36Å; R223-N227 WeakPolarHBondContact O-CB 3.3Å; R223-N227 PolarHBondContact O-N 2.86Å; R223-N227 PolarHBondContact O-OD1 2.9Å
224I97.2Very high96.6Very high81 Ų81111.4 Ų111.442%0.41550%0.503SS..Hα-helixtrans-59.2-47.7175.7-67.1164.2000110.7K220 N221 A226 N227 A228K220-I224 WeakPolarHBondContact O-CG1 3.2Å; K220-I224 PolarHBondContact O-N 3.02Å; N221-I224 PolarHBondContact O-N 2.85Å; I224-A226 VanDerWaalsContact C-N 3.35Å; I224-A226 PolarHBondContact O-N 3.32Å; I224-N227 PolarHBondContact O-N 3.1Å; I224-A228 PolarHBondContact O-N 3.46Å
225R97.1Very high96.9Very high184 Ų184110.9 Ų110.969%0.69450%0.5SS*.Hα-helixtrans-63.9-37.4177.8-168.3-177.5-71.7-176-3.6112.4N221 R222 R223 A228 R229N221-R225 WeakPolarHBondContact O-CB 3.42Å; N221-R225 PolarHBondContact O-N 3.1Å; R222-R225 PolarHBondContact O-N 3.29Å; R223-R225 PolarHBondContact O-N 2.96Å; R225-A228 PolarHBondContact O-N 3.37Å; R225-R229 PolarHBondContact O-N 3.36Å
226A97.9Very high97.1Very high36 Ų36105.2 Ų105.230%0.29849%0.492SS..Hα-helixtrans-65.3-46.5174.600000112R222 R223 I224 A228 R229 E230R222-A226 WeakPolarHBondContact O-CB 3.22Å; R222-A226 PolarHBondContact O-N 3.16Å; R223-A226 PolarHBondContact O-N 3.36Å; I224-A226 VanDerWaalsContact C-N 3.35Å; I224-A226 PolarHBondContact O-N 3.32Å; A226-A228 VanDerWaalsContact C-N 3.29Å; A226-A228 PolarHBondContact O-N 2.92Å; A226-R229 PolarHBondContact O-N 3.39Å; A226-R229 VanDerWaalsContact O-N 3.15Å; A226-E230 PolarHBondContact O-N 3.34Å
227N98.5Very high97.3Very high72 Ų72106 Ų10639%0.38550%0.499SS..Hα-helixtrans-60.4-38.1176.3-67.4-4.5000112.1R223 I224 E230 R231R223-N227 WeakPolarHBondContact O-CB 3.3Å; R223-N227 PolarHBondContact O-N 2.86Å; R223-N227 PolarHBondContact O-OD1 2.9Å; I224-N227 PolarHBondContact O-N 3.1Å; N227-E230 PolarHBondContact O-N 2.83Å; N227-R231 WeakPolarHBondContact O-CG 3.31Å; N227-R231 PolarHBondContact O-N 2.6Å
228A98.2Very high97.5Very high52 Ų52106 Ų10643%0.4350%0.496SS..Hα-helixtrans-64-40.7175.300000112.4I224 R225 A226 S232I224-A228 PolarHBondContact O-N 3.46Å; R225-A228 PolarHBondContact O-N 3.37Å; A226-A228 VanDerWaalsContact C-N 3.29Å; A226-A228 PolarHBondContact O-N 2.92Å; A228-S232 PolarHBondContact O-N 2.91Å; A228-S232 VanDerWaalsContact O-N 3.13Å
229R98.4Very high97.7Very high155 Ų155104.7 Ų104.759%0.58550%0.496SS*.Hα-helixtrans-64-45174.3-69.8-168.3-53.6-94.30.8112.2R225 A226 R231 S232 R233R225-R229 PolarHBondContact O-N 3.36Å; A226-R229 PolarHBondContact O-N 3.39Å; A226-R229 VanDerWaalsContact O-N 3.15Å; R229-R231 VanDerWaalsContact C-N 3.34Å; R229-R231 PolarHBondContact O-N 3.38Å; R229-S232 WeakPolarHBondContact O-CB 3.42Å; R229-S232 PolarHBondContact O-N 3.44Å; R229-S232 VanDerWaalsContact O-N 3.12Å; R229-R233 PolarHBondContact O-N 3.15Å
230E98.5Very high97.8Very high80 Ų80102.2 Ų102.237%0.37449%0.491SS..Hα-helixtrans-66.5-36.2-179.5-17656.4-162.800112.1A226 N227 S232 R233 M234A226-E230 PolarHBondContact O-N 3.34Å; N227-E230 PolarHBondContact O-N 2.83Å; E230-S232 VanDerWaalsContact C-N 3.35Å; E230-S232 PolarHBondContact O-N 3.38Å; E230-R233 PolarHBondContact O-N 3.5Å; E230-R233 IonicContact OE1-CZ 3.85Å; E230-R233 IonicContact OE1-NE 2.8Å; E230-R233 PolarHBondContact OE1-NE 3.06Å; E230-R233 IonicContact OE1-NH2 2.57Å; E230-R233 PolarHBondContact OE1-NH2 3.07Å; E230-R233 IonicContact OE2-CZ 3.18Å; E230-R233 IonicContact OE2-NE 3.38Å; E230-R233 PolarHBondContact OE2-NE 2.9Å; E230-R233 IonicContact OE2-NH2 3.17Å; E230-M234 HydrophobicContact CG-CG 4.45Å; E230-M234 WeakPolarHBondContact O-CB 3.47Å; E230-M234 VanDerWaalsContact O-CG 3.31Å; E230-M234 WeakPolarHBondContact O-CG 3.41Å; E230-M234 PolarHBondContact O-N 2.77Å
231R98.5Very high97.9Very high160 Ų160100.1 Ų100.160%0.60448%0.483SS*.Hα-helixtrans-58-47169.4-72.6177.2-172.6130.8-4.1111.5N227 R229 R233 M234 H235N227-R231 WeakPolarHBondContact O-CG 3.31Å; N227-R231 PolarHBondContact O-N 2.6Å; R229-R231 VanDerWaalsContact C-N 3.34Å; R229-R231 PolarHBondContact O-N 3.38Å; R231-R233 PolarHBondContact O-N 3.48Å; R231-M234 PolarHBondContact O-N 3.3Å; R231-H235 PolarHBondContact O-CD2 3.47Å; R231-H235 PolarHBondContact O-N 2.97Å
232S98.3Very high97.9Very high82 Ų8297.6 Ų97.657%0.57347%0.468SS*.Hα-helixtrans-58.4-46.2176.3-167.60000112.2A228 R229 E230 M234 H235 G236A228-S232 PolarHBondContact O-N 2.91Å; A228-S232 VanDerWaalsContact O-N 3.13Å; R229-S232 WeakPolarHBondContact O-CB 3.42Å; R229-S232 PolarHBondContact O-N 3.44Å; R229-S232 VanDerWaalsContact O-N 3.12Å; E230-S232 VanDerWaalsContact C-N 3.35Å; E230-S232 PolarHBondContact O-N 3.38Å; S232-M234 VanDerWaalsContact C-N 3.34Å; S232-M234 PolarHBondContact O-N 2.84Å; S232-H235 PolarHBondContact O-N 3.29Å; S232-G236 PolarHBondContact O-N 3.22Å
233R98.6Very high97.8Very high156 Ų15693.5 Ų93.559%0.58946%0.458SS*.Hα-helixtrans-57.9-45.1175.2-163.8-176.776.396.65111.9R229 E230 R231 G236 L237R229-R233 PolarHBondContact O-N 3.15Å; E230-R233 PolarHBondContact O-N 3.5Å; E230-R233 IonicContact OE1-CZ 3.85Å; E230-R233 IonicContact OE1-NE 2.8Å; E230-R233 PolarHBondContact OE1-NE 3.06Å; E230-R233 IonicContact OE1-NH2 2.57Å; E230-R233 PolarHBondContact OE1-NH2 3.07Å; E230-R233 IonicContact OE2-CZ 3.18Å; E230-R233 IonicContact OE2-NE 3.38Å; E230-R233 PolarHBondContact OE2-NE 2.9Å; E230-R233 IonicContact OE2-NH2 3.17Å; R231-R233 PolarHBondContact O-N 3.48Å; R233-G236 PolarHBondContact O-N 3.4Å; R233-L237 PolarHBondContact O-N 2.94Å
234M98.6Very high97.8Very high61 Ų6187.5 Ų87.530%0.344%0.439SS..Hα-helixtrans-69.1-30.7177.9-70.5-58.1-6200113.3E230 R231 S232 L237 N238E230-M234 HydrophobicContact CG-CG 4.45Å; E230-M234 WeakPolarHBondContact O-CB 3.47Å; E230-M234 VanDerWaalsContact O-CG 3.31Å; E230-M234 WeakPolarHBondContact O-CG 3.41Å; E230-M234 PolarHBondContact O-N 2.77Å; R231-M234 PolarHBondContact O-N 3.3Å; S232-M234 VanDerWaalsContact C-N 3.34Å; S232-M234 PolarHBondContact O-N 2.84Å; M234-L237 HydrophobicContact CE-CD2 4.09Å; M234-L237 HydrophobicContact SD-CD2 4.06Å; M234-N238 WeakPolarHBondContact O-CB 3.39Å; M234-N238 PolarHBondContact O-N 3.4Å; M234-N238 PolarHBondContact O-ND2 2.74Å
235H98.3Very high97.8Very high131 Ų13184.7 Ų84.761%0.60642%0.423SS*.Hα-helixtrans-65.2-44170.4-71.6-60.5000111.3R231 S232 N238 H239R231-H235 PolarHBondContact O-CD2 3.47Å; R231-H235 PolarHBondContact O-N 2.97Å; S232-H235 PolarHBondContact O-N 3.29Å; H235-N238 PolarHBondContact O-N 2.99Å; H235-H239 WeakPolarHBondContact O-CB 3.46Å; H235-H239 PolarHBondContact O-N 2.92Å
236G97.7Very high97.6Very high44 Ų4483.2 Ų83.245%0.45442%0.418SS..Hα-helixtrans-58.9-46173.500000112.9S232 R233 H239 A240S232-G236 PolarHBondContact O-N 3.22Å; R233-G236 PolarHBondContact O-N 3.4Å; G236-H239 WeakPolarHBondContact O-CB 3.22Å; G236-H239 PolarHBondContact O-N 2.72Å; G236-A240 PolarHBondContact O-N 3.49Å
237L98.2Very high97.4Very high96 Ų9685.1 Ų85.150%0.50342%0.42SS..Hα-helixtrans-62.5-43.3176.3-177.565.5000112.6R233 M234 H239 A240 L241R233-L237 PolarHBondContact O-N 2.94Å; M234-L237 HydrophobicContact CE-CD2 4.09Å; M234-L237 HydrophobicContact SD-CD2 4.06Å; L237-H239 VanDerWaalsContact C-N 3.31Å; L237-H239 PolarHBondContact O-N 3.47Å; L237-A240 PolarHBondContact O-N 3.38Å; L237-L241 PolarHBondContact O-N 3.15Å
238N98Very high97.1Very high63 Ų6381.9 Ų81.934%0.33740%0.403SS..Hα-helixtrans-67.8-31.6177.5-71.1-36.1000112M234 H235 E242 K259M234-N238 WeakPolarHBondContact O-CB 3.39Å; M234-N238 PolarHBondContact O-N 3.4Å; M234-N238 PolarHBondContact O-ND2 2.74Å; H235-N238 PolarHBondContact O-N 2.99Å; N238-E242 PolarHBondContact O-N 3.3Å; N238-E242 VanDerWaalsContact O-N 3.11Å; N238-K259 PolarHBondContact OD1-NZ 3.23Å
239H97.8Very high96.6Very high125 Ų12580.9 Ų80.958%0.57939%0.392SS*.Hα-helixtrans-66.5-47.1173-178.6-95.3000111.5H235 G236 L237 L241 E242 L243H235-H239 WeakPolarHBondContact O-CB 3.46Å; H235-H239 PolarHBondContact O-N 2.92Å; G236-H239 WeakPolarHBondContact O-CB 3.22Å; G236-H239 PolarHBondContact O-N 2.72Å; L237-H239 VanDerWaalsContact C-N 3.31Å; L237-H239 PolarHBondContact O-N 3.47Å; H239-L241 VanDerWaalsContact C-N 3.29Å; H239-L241 PolarHBondContact O-N 3Å; H239-E242 PolarHBondContact O-N 3.06Å; H239-L243 PolarHBondContact O-N 2.96Å
240A98.1Very high95.7Very high54 Ų5473.8 Ų73.845%0.44637%0.366SS..Hα-helixtrans-58.9-39.4174.700000112.3G236 L237 E242 L243 L244G236-A240 PolarHBondContact O-N 3.49Å; L237-A240 PolarHBondContact O-N 3.38Å; A240-E242 VanDerWaalsContact C-N 3.3Å; A240-E242 PolarHBondContact O-N 2.97Å; A240-L243 PolarHBondContact O-N 3.48Å; A240-L244 PolarHBondContact O-N 3.29Å
241L97.7Very high95Very high23 Ų2374 Ų7412%0.1237%0.366CS..Hα-helixtrans-64.8-32.2174.2-171.768.5000112.8L237 H239 L244 R245 K259 T262L237-L241 PolarHBondContact O-N 3.15Å; H239-L241 VanDerWaalsContact C-N 3.29Å; H239-L241 PolarHBondContact O-N 3Å; L241-L244 HydrophobicContact CD1-CD2 4.4Å; L241-L244 PolarHBondContact O-N 2.87Å; L241-R245 PolarHBondContact O-N 3.39Å; L241-R245 VanDerWaalsContact O-N 3.07Å; L241-K259 HydrophobicContact CD2-CB 4.23Å; L241-K259 HydrophobicContact CD2-CD 4.1Å; L241-K259 HydrophobicContact CD2-CG 3.75Å; L241-T262 HydrophobicContact CD1-CG2 3.74Å; L241-T262 HydrophobicContact CG-CG2 4.38Å
242E95.3Very high94.2Very high47 Ų4767.7 Ų67.722%0.2235%0.346CS..Hα-helixtrans-74.4-36.4175.2-157.666-176.200112.4N238 H239 A240 L244 R245 R246 R256N238-E242 PolarHBondContact O-N 3.3Å; N238-E242 VanDerWaalsContact O-N 3.11Å; H239-E242 PolarHBondContact O-N 3.06Å; A240-E242 VanDerWaalsContact C-N 3.3Å; A240-E242 PolarHBondContact O-N 2.97Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 3.35Å; E242-R245 WeakPolarHBondContact O-CB 3.03Å; E242-R245 PolarHBondContact O-N 3.3Å; E242-R245 WeakPolarHBondContact OE2-CD 3.44Å; E242-R245 IonicContact OE2-CZ 2.74Å; E242-R245 IonicContact OE2-NE 2.7Å; E242-R245 IonicContact OE2-NH1 3.65Å; E242-R245 PolarHBondContact OE2-NH1 3.33Å; E242-R246 PolarHBondContact O-N 3.18Å; E242-R256 IonicContact OE1-CZ 3.61Å; E242-R256 IonicContact OE1-NE 3.66Å; E242-R256 PolarHBondContact OE1-NE 3Å; E242-R256 IonicContact OE1-NH2 2.72Å; E242-R256 PolarHBondContact OE1-NH2 3.36Å; E242-R256 IonicContact OE2-CZ 3.04Å; E242-R256 IonicContact OE2-NE 3.91Å; E242-R256 IonicContact OE2-NH2 3.44Å; E242-R256 PolarHBondContact OE2-NH2 3.01Å
243L95.9Very high93.2Very high76 Ų7669.4 Ų69.440%0.39835%0.353SS..Hα-helixtrans-59.9-42.8168.9-65.5179.3000110.9H239 A240 R245 R246 H247H239-L243 PolarHBondContact O-N 2.96Å; A240-L243 PolarHBondContact O-N 3.48Å; L243-R245 VanDerWaalsContact C-N 3.35Å; L243-R245 PolarHBondContact O-N 3.46Å; L243-R246 WeakPolarHBondContact O-CB 3.35Å; L243-R246 PolarHBondContact O-N 2.58Å; L243-H247 PolarHBondContact O-ND1 3.46Å
244L97.3Very high92.6Very high60 Ų6068.1 Ų68.131%0.31436%0.363SS..Hα-helixtrans-59.7-43174.5-179.560.1000111.9A240 L241 E242 R246 H247 T262 L263 A266A240-L244 PolarHBondContact O-N 3.29Å; L241-L244 HydrophobicContact CD1-CD2 4.4Å; L241-L244 PolarHBondContact O-N 2.87Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 3.35Å; L244-R246 VanDerWaalsContact C-N 3.25Å; L244-R246 PolarHBondContact O-N 3.07Å; L244-H247 PolarHBondContact O-N 2.99Å; L244-H247 VanDerWaalsContact O-N 3.09Å; L244-T262 HydrophobicContact CD2-CG2 4.13Å; L244-T262 HydrophobicContact CG-CG2 4.24Å; L244-L263 HydrophobicContact CD2-CD2 4.26Å; L244-A266 HydrophobicContact CD1-CB 4Å; L244-A266 HydrophobicContact CD2-CB 4.09Å; L244-A266 HydrophobicContact CG-CB 4.32Å
245R95.9Very high92Very high21 Ų2169.4 Ų69.48%0.07937%0.368CS..Hα-helixtrans-56.6-37.1176.2-75.6-172.6-175.888.59.4113L241 E242 L243 H247 I248 F251 L257 T262L241-R245 PolarHBondContact O-N 3.39Å; L241-R245 VanDerWaalsContact O-N 3.07Å; E242-R245 WeakPolarHBondContact O-CB 3.03Å; E242-R245 PolarHBondContact O-N 3.3Å; E242-R245 WeakPolarHBondContact OE2-CD 3.44Å; E242-R245 IonicContact OE2-CZ 2.74Å; E242-R245 IonicContact OE2-NE 2.7Å; E242-R245 IonicContact OE2-NH1 3.65Å; E242-R245 PolarHBondContact OE2-NH1 3.33Å; L243-R245 VanDerWaalsContact C-N 3.35Å; L243-R245 PolarHBondContact O-N 3.46Å; R245-H247 PolarHBondContact O-N 3.25Å; R245-I248 WeakPolarHBondContact O-CB 3.25Å; R245-I248 PolarHBondContact O-N 3.4Å; R245-F251 HydrophobicContact CB-CD2 4.08Å; R245-F251 HydrophobicContact CB-CE2 4.21Å; R245-F251 WeakPolarHBondContact O-CB 3.35Å; R245-F251 WeakPolarHBondContact O-CD2 3.44Å; R245-L257 PolarHBondContact NE-O 2.92Å; R245-L257 VanDerWaalsContact NE-O 3.08Å; R245-L257 PolarHBondContact NH2-O 2.88Å; R245-T262 HydrophobicContact CG-CG2 3.64Å; R245-T262 PolarHBondContact NE-OG1 3.22Å; R245-T262 PolarHBondContact NH2-OG1 2.63Å
246R94.1Very high91.6Very high154 Ų15470.7 Ų70.758%0.58137%0.368SS*.Hα-helixtrans-65-21.3179.3-68.7175.861.2160.1-1.5114E242 L243 L244 F251E242-R246 PolarHBondContact O-N 3.18Å; L243-R246 WeakPolarHBondContact O-CB 3.35Å; L243-R246 PolarHBondContact O-N 2.58Å; L244-R246 VanDerWaalsContact C-N 3.25Å; L244-R246 PolarHBondContact O-N 3.07Å; R246-F251 HydrophobicContact CG-CD2 4.48Å; R246-F251 HydrophobicContact CG-CE1 4.4Å; R246-F251 HydrophobicContact CG-CE2 4Å; R246-F251 HydrophobicContact CG-CZ 3.95Å
247H93.5Very high91.4Very high75 Ų7569.2 Ų69.235%0.34735%0.349SS..THydrogen-bonded Turntrans-96.2-1.3179.2-62.683.9000113L243 L244 R245 Y269 F430L243-H247 PolarHBondContact O-ND1 3.46Å; L244-H247 PolarHBondContact O-N 2.99Å; L244-H247 VanDerWaalsContact O-N 3.09Å; R245-H247 PolarHBondContact O-N 3.25Å; H247-Y269 WeakPolarHBondContact O-CE1 3.41Å; H247-F430 PolarHBondContact CD2-O 3.22Å; H247-F430 PolarHBondContact NE2-O 2.91Å
248I93Very high91.3Very high5 Ų566.9 Ų66.93%0.02634%0.341CS..SBendtrans-81.3136.1178-75.8177.4000109.8R245 T250 F251 L257 T262 L265R245-I248 WeakPolarHBondContact O-CB 3.25Å; R245-I248 PolarHBondContact O-N 3.4Å; I248-T250 PolarHBondContact O-N 3.14Å; I248-F251 PolarHBondContact O-N 3.19Å; I248-F251 VanDerWaalsContact O-N 3.1Å; I248-L257 HydrophobicContact CD1-CD1 4.49Å; I248-L257 HydrophobicContact CG2-CD1 4.29Å; I248-T262 HydrophobicContact CD1-CG2 3.71Å; I248-T262 WeakPolarHBondContact CD1-O 3.29Å; I248-L265 HydrophobicContact CG2-CD2 3.36Å; I248-L265 HydrophobicContact CG2-CG 3.81Å
249P86Confident91.2Very high30 Ų3069 Ų6920%0.19535%0.347CS..THydrogen-bonded Turntrans-56.1-18-176.1-30.236.5000116.6Y269 L292P249-Y269 HydrophobicContact CG-CD1 4.04Å; P249-Y269 HydrophobicContact CG-CD2 3.6Å; P249-Y269 HydrophobicContact CG-CE1 3.96Å; P249-Y269 HydrophobicContact CG-CE2 3.51Å; P249-Y269 HydrophobicContact CG-CG 3.88Å; P249-L292 HydrophobicContact CB-CD1 4.31Å; P249-L292 HydrophobicContact CG-CD1 4.26Å
250T81.3Confident91.2Very high7 Ų767.5 Ų67.54%0.04334%0.342CS..THydrogen-bonded Turntrans-117.933.6-177.469.80000112I248 S252 I304 T307I248-T250 PolarHBondContact O-N 3.14Å; T250-S252 PolarHBondContact O-N 2.98Å; T250-S252 VanDerWaalsContact O-N 3.16Å; T250-I304 HydrophobicContact CG2-CB 3.99Å; T250-I304 HydrophobicContact CG2-CD1 3.97Å; T250-I304 HydrophobicContact CG2-CG1 3.81Å; T250-I304 HydrophobicContact CG2-CG2 3.87Å; T250-T307 HydrophobicContact CG2-CG2 4.31Å
251F82Confident91.1Very high85 Ų8566.3 Ų66.337%0.37333%0.328SS..  trans-59.9117.2177.6178.4-109.1000111.1R245 R246 I248 T253R245-F251 HydrophobicContact CB-CD2 4.08Å; R245-F251 HydrophobicContact CB-CE2 4.21Å; R245-F251 WeakPolarHBondContact O-CB 3.35Å; R245-F251 WeakPolarHBondContact O-CD2 3.44Å; R246-F251 HydrophobicContact CG-CD2 4.48Å; R246-F251 HydrophobicContact CG-CE1 4.4Å; R246-F251 HydrophobicContact CG-CE2 4Å; R246-F251 HydrophobicContact CG-CZ 3.95Å; I248-F251 PolarHBondContact O-N 3.19Å; I248-F251 VanDerWaalsContact O-N 3.1Å; F251-T253 HydrophobicContact CE1-CG2 3.84Å; F251-T253 HydrophobicContact CZ-CG2 4.14Å
252S81.8Confident91.1Very high27 Ų2765.2 Ų65.219%0.18932%0.322CS..  trans-119.7130.9172.61740000110T250 T254 Q255T250-S252 PolarHBondContact O-N 2.98Å; T250-S252 VanDerWaalsContact O-N 3.16Å; S252-T254 VanDerWaalsContact C-N 3.29Å; S252-T254 PolarHBondContact OG-N 2.96Å; S252-T254 PolarHBondContact OG-OG1 2.93Å; S252-T254 VanDerWaalsContact OG-OG1 3.06Å; S252-Q255 PolarHBondContact OG-N 3.1Å
253T78.8Confident91.2Very high117 Ų11767.6 Ų67.672%0.71834%0.336SS*.SBendtrans-70.8-27.3174.952.70000112.1F251F251-T253 HydrophobicContact CE1-CG2 3.84Å; F251-T253 HydrophobicContact CZ-CG2 4.14Å
254T84.6Confident91.3Very high129 Ų12969.7 Ų69.779%0.79134%0.339SS*.SBendtrans-89.5-34.7179.658.70000112.4S252S252-T254 VanDerWaalsContact C-N 3.29Å; S252-T254 PolarHBondContact OG-N 2.96Å; S252-T254 PolarHBondContact OG-OG1 2.93Å; S252-T254 VanDerWaalsContact OG-OG1 3.06Å
255Q86.4Confident91.2Very high88 Ų8866.9 Ų66.941%0.41132%0.324SS..SBendtrans-116.598.6-177.5-171.3176.9-1.100111.4S252 L303S252-Q255 PolarHBondContact OG-N 3.1Å; Q255-L303 HydrophobicContact CG-CD2 4.41Å
256R90.3Very high91.3Very high158 Ų15866.4 Ų66.460%0.59633%0.325SS*.PPolyproline II helixtrans-89.4124.1-178.5-63.3174.875-161.3-0.2111.2E242E242-R256 IonicContact OE1-CZ 3.61Å; E242-R256 IonicContact OE1-NE 3.66Å; E242-R256 PolarHBondContact OE1-NE 3Å; E242-R256 IonicContact OE1-NH2 2.72Å; E242-R256 PolarHBondContact OE1-NH2 3.36Å; E242-R256 IonicContact OE2-CZ 3.04Å; E242-R256 IonicContact OE2-NE 3.91Å; E242-R256 IonicContact OE2-NH2 3.44Å; E242-R256 PolarHBondContact OE2-NH2 3.01Å
257L93.6Very high91.5Very high14 Ų1465.6 Ų65.67%0.07333%0.325CS..PPolyproline II helixtrans-63.6144.9174.9-61.7179.1000111.9R245 I248 E261 T262 L265 T300 L303R245-L257 PolarHBondContact NE-O 2.92Å; R245-L257 VanDerWaalsContact NE-O 3.08Å; R245-L257 PolarHBondContact NH2-O 2.88Å; I248-L257 HydrophobicContact CD1-CD1 4.49Å; I248-L257 HydrophobicContact CG2-CD1 4.29Å; L257-E261 HydrophobicContact CB-CB 4.25Å; L257-T262 PolarHBondContact O-OG1 3.4Å; L257-L265 HydrophobicContact CD1-CD2 3.7Å; L257-T300 HydrophobicContact CD2-CG2 3.68Å; L257-T300 WeakPolarHBondContact CD2-OG1 3.48Å; L257-L303 HydrophobicContact CD2-CD2 4.4Å
258S95.3Very high91.6Very high47 Ų4762.3 Ų62.333%0.32931%0.31SS..PPolyproline II helixtrans-61165.3173.971.40000111.7I260 E261 T262S258-I260 VanDerWaalsContact C-N 3.29Å; S258-I260 PolarHBondContact O-N 2.93Å; S258-I260 WeakPolarHBondContact OG-CG2 3.45Å; S258-E261 WeakPolarHBondContact CB-OE2 3.48Å; S258-E261 PolarHBondContact N-OE2 3.19Å; S258-E261 PolarHBondContact O-N 3.39Å; S258-E261 WeakPolarHBondContact OG-CB 3.32Å; S258-E261 VanDerWaalsContact OG-CD 3.3Å; S258-E261 VanDerWaalsContact OG-CG 3.29Å; S258-E261 WeakPolarHBondContact OG-CG 3.19Å; S258-E261 PolarHBondContact OG-N 3.45Å; S258-E261 PolarHBondContact OG-OE2 2.93Å; S258-T262 WeakPolarHBondContact O-CB 3.48Å; S258-T262 PolarHBondContact O-N 2.86Å; S258-T262 PolarHBondContact O-OG1 2.89Å
259K96.9Very high91.8Very high107 Ų10764.6 Ų64.647%0.46532%0.319SS..Hα-helixtrans-57.7-43.2179.9-62.4-161.6168.2-1680112N238 L241 L263N238-K259 PolarHBondContact OD1-NZ 3.23Å; L241-K259 HydrophobicContact CD2-CB 4.23Å; L241-K259 HydrophobicContact CD2-CD 4.1Å; L241-K259 HydrophobicContact CD2-CG 3.75Å; K259-L263 WeakPolarHBondContact O-CG 3.37Å; K259-L263 PolarHBondContact O-N 3.4Å
260I97.4Very high92.4Very high93 Ų9368.4 Ų68.448%0.47734%0.336SS..Hα-helixtrans-71.3-40.7-178.7-176.159.4000112.2S258 L263 R264S258-I260 VanDerWaalsContact C-N 3.29Å; S258-I260 PolarHBondContact O-N 2.93Å; S258-I260 WeakPolarHBondContact OG-CG2 3.45Å; I260-L263 PolarHBondContact O-N 2.94Å; I260-R264 HydrophobicContact CD1-CG 4.3Å; I260-R264 HydrophobicContact CG1-CG 4.45Å; I260-R264 WeakPolarHBondContact O-CG 3.4Å; I260-R264 PolarHBondContact O-N 3.42Å
261E96.3Very high93Very high29 Ų2971.8 Ų71.814%0.13635%0.351CS..Hα-helixtrans-67.4-37.7177-70165.7125.700112L257 S258 L263 R264 L265 S297 T300L257-E261 HydrophobicContact CB-CB 4.25Å; S258-E261 WeakPolarHBondContact CB-OE2 3.48Å; S258-E261 PolarHBondContact N-OE2 3.19Å; S258-E261 PolarHBondContact O-N 3.39Å; S258-E261 WeakPolarHBondContact OG-CB 3.32Å; S258-E261 VanDerWaalsContact OG-CD 3.3Å; S258-E261 VanDerWaalsContact OG-CG 3.29Å; S258-E261 WeakPolarHBondContact OG-CG 3.19Å; S258-E261 PolarHBondContact OG-N 3.45Å; S258-E261 PolarHBondContact OG-OE2 2.93Å; E261-L263 VanDerWaalsContact C-N 3.29Å; E261-L263 PolarHBondContact O-N 3.3Å; E261-R264 PolarHBondContact O-N 3Å; E261-L265 VanDerWaalsContact O-CB 3.25Å; E261-L265 WeakPolarHBondContact O-CB 3.45Å; E261-L265 PolarHBondContact O-N 2.87Å; E261-S297 WeakPolarHBondContact OE1-CB 3.31Å; E261-S297 PolarHBondContact OE1-OG 3.11Å; E261-T300 VanDerWaalsContact CD-OG1 3.31Å; E261-T300 WeakPolarHBondContact OE1-CB 3.37Å; E261-T300 PolarHBondContact OE1-OG1 2.97Å
262T96.7Very high93.7Very high0 Ų067.9 Ų67.90%033%0.333CS..Hα-helixtrans-57.5-44.5174.1-54.70000110.6L241 L244 R245 I248 L257 S258 A266L241-T262 HydrophobicContact CD1-CG2 3.74Å; L241-T262 HydrophobicContact CG-CG2 4.38Å; L244-T262 HydrophobicContact CD2-CG2 4.13Å; L244-T262 HydrophobicContact CG-CG2 4.24Å; R245-T262 HydrophobicContact CG-CG2 3.64Å; R245-T262 PolarHBondContact NE-OG1 3.22Å; R245-T262 PolarHBondContact NH2-OG1 2.63Å; I248-T262 HydrophobicContact CD1-CG2 3.71Å; I248-T262 WeakPolarHBondContact CD1-O 3.29Å; L257-T262 PolarHBondContact O-OG1 3.4Å; S258-T262 WeakPolarHBondContact O-CB 3.48Å; S258-T262 PolarHBondContact O-N 2.86Å; S258-T262 PolarHBondContact O-OG1 2.89Å; T262-A266 VanDerWaalsContact O-CB 3.23Å; T262-A266 WeakPolarHBondContact O-CB 3.38Å; T262-A266 PolarHBondContact O-N 3.28Å
263L97.8Very high94.3Very high98 Ų9869.8 Ų69.851%0.51334%0.341SS..Hα-helixtrans-72.1-42.7179.6-66.4172.4000112.7L244 K259 I260 E261 A266 K267L244-L263 HydrophobicContact CD2-CD2 4.26Å; K259-L263 WeakPolarHBondContact O-CG 3.37Å; K259-L263 PolarHBondContact O-N 3.4Å; I260-L263 PolarHBondContact O-N 2.94Å; E261-L263 VanDerWaalsContact C-N 3.29Å; E261-L263 PolarHBondContact O-N 3.3Å; L263-A266 PolarHBondContact O-N 3.12Å; L263-K267 PolarHBondContact O-N 3.16Å
264R97.2Very high95.1Very high120 Ų12066.8 Ų66.845%0.45333%0.325SS..Hα-helixtrans-61.6-49.5176.7-73.5-178.7-178.3178.12.8111.4I260 E261 A266 K267 N268 G295 L296I260-R264 HydrophobicContact CD1-CG 4.3Å; I260-R264 HydrophobicContact CG1-CG 4.45Å; I260-R264 WeakPolarHBondContact O-CG 3.4Å; I260-R264 PolarHBondContact O-N 3.42Å; E261-R264 PolarHBondContact O-N 3Å; R264-A266 VanDerWaalsContact C-N 3.35Å; R264-A266 PolarHBondContact O-N 3.33Å; R264-K267 WeakPolarHBondContact O-CB 3.47Å; R264-K267 PolarHBondContact O-N 2.9Å; R264-N268 PolarHBondContact O-N 3.5Å; R264-N268 PolarHBondContact O-OD1 3.48Å; R264-G295 WeakPolarHBondContact CD-O 3.37Å; R264-G295 PolarHBondContact NH1-O 3.02Å; R264-L296 HydrophobicContact CB-CD2 3.52Å
265L96.7Very high95.5Very high0 Ų063.6 Ų63.60%030%0.301CS..Hα-helixtrans-66.8-35.4180-178.751.7000112.1I248 L257 E261 N268 Y269 L292 L296 I304I248-L265 HydrophobicContact CG2-CD2 3.36Å; I248-L265 HydrophobicContact CG2-CG 3.81Å; L257-L265 HydrophobicContact CD1-CD2 3.7Å; E261-L265 VanDerWaalsContact O-CB 3.25Å; E261-L265 WeakPolarHBondContact O-CB 3.45Å; E261-L265 PolarHBondContact O-N 2.87Å; L265-N268 PolarHBondContact O-N 3.38Å; L265-Y269 VanDerWaalsContact O-CB 3.3Å; L265-Y269 WeakPolarHBondContact O-CB 3.3Å; L265-Y269 PolarHBondContact O-N 3.43Å; L265-L292 HydrophobicContact CD1-CB 3.88Å; L265-L292 HydrophobicContact CD1-CD2 3.91Å; L265-L292 HydrophobicContact CD1-CG 4.39Å; L265-L292 WeakPolarHBondContact CD1-O 3.49Å; L265-L296 HydrophobicContact CB-CD1 4.07Å; L265-L296 HydrophobicContact CB-CD2 4.36Å; L265-L296 HydrophobicContact CD1-CD1 4.07Å; L265-L296 HydrophobicContact CD2-CD1 4.32Å; L265-L296 HydrophobicContact CG-CD1 4.38Å; L265-I304 HydrophobicContact CD1-CD1 3.62Å; L265-I304 HydrophobicContact CD2-CD1 3.74Å; L265-I304 HydrophobicContact CG-CD1 4.36Å
266A97.7Very high95.8Very high12 Ų1261.3 Ų61.310%0.09929%0.291CS..Hα-helixtrans-62.7-44.4171.700000112.4L244 T262 L263 R264 Y269 I270L244-A266 HydrophobicContact CD1-CB 4Å; L244-A266 HydrophobicContact CD2-CB 4.09Å; L244-A266 HydrophobicContact CG-CB 4.32Å; T262-A266 VanDerWaalsContact O-CB 3.23Å; T262-A266 WeakPolarHBondContact O-CB 3.38Å; T262-A266 PolarHBondContact O-N 3.28Å; L263-A266 PolarHBondContact O-N 3.12Å; R264-A266 VanDerWaalsContact C-N 3.35Å; R264-A266 PolarHBondContact O-N 3.33Å; A266-Y269 PolarHBondContact O-N 3.38Å; A266-I270 WeakPolarHBondContact O-CG1 3.25Å; A266-I270 PolarHBondContact O-N 3.31Å
267K97.7Very high96.1Very high137 Ų13760.2 Ų60.260%0.59630%0.297SS*.Hα-helixtrans-57.8-49.7173.1-179.3-152.9172.1-163.10110.9L263 R264 Y269 I270 K271L263-K267 PolarHBondContact O-N 3.16Å; R264-K267 WeakPolarHBondContact O-CB 3.47Å; R264-K267 PolarHBondContact O-N 2.9Å; K267-Y269 VanDerWaalsContact C-N 3.31Å; K267-Y269 PolarHBondContact O-N 3.05Å; K267-I270 PolarHBondContact O-N 3.14Å; K267-K271 PolarHBondContact O-N 2.72Å
268N97Very high96.1Very high5 Ų566.4 Ų66.43%0.02733%0.329CS..Hα-helixtrans-63.2-37.9-178.5-65.80000111.8R264 L265 K271 T272 N291 L292 E294R264-N268 PolarHBondContact O-N 3.5Å; R264-N268 PolarHBondContact O-OD1 3.48Å; L265-N268 PolarHBondContact O-N 3.38Å; N268-K271 PolarHBondContact O-N 3.16Å; N268-T272 WeakPolarHBondContact O-CB 3.43Å; N268-T272 PolarHBondContact O-N 3.19Å; N268-T272 PolarHBondContact O-OG1 3.35Å; N268-N291 WeakPolarHBondContact CB-O 3.49Å; N268-L292 PolarHBondContact ND2-O 2.97Å; N268-E294 PolarHBondContact ND2-O 3.04Å
269Y96.9Very high95.9Very high53 Ų5369.6 Ų69.621%0.20834%0.34CS..Hα-helixtrans-67.1-43.8176.1-173.9-141.2000111.9H247 P249 L265 A266 K267 K271 T272 L273 L292H247-Y269 WeakPolarHBondContact O-CE1 3.41Å; P249-Y269 HydrophobicContact CG-CD1 4.04Å; P249-Y269 HydrophobicContact CG-CD2 3.6Å; P249-Y269 HydrophobicContact CG-CE1 3.96Å; P249-Y269 HydrophobicContact CG-CE2 3.51Å; P249-Y269 HydrophobicContact CG-CG 3.88Å; L265-Y269 VanDerWaalsContact O-CB 3.3Å; L265-Y269 WeakPolarHBondContact O-CB 3.3Å; L265-Y269 PolarHBondContact O-N 3.43Å; A266-Y269 PolarHBondContact O-N 3.38Å; K267-Y269 VanDerWaalsContact C-N 3.31Å; K267-Y269 PolarHBondContact O-N 3.05Å; Y269-K271 PolarHBondContact O-N 3.29Å; Y269-T272 PolarHBondContact O-N 2.72Å; Y269-L273 HydrophobicContact CD1-CD1 4.25Å; Y269-L273 HydrophobicContact CD2-CD1 4.08Å; Y269-L273 HydrophobicContact CD2-CD2 4.41Å; Y269-L273 HydrophobicContact CD2-CG 3.88Å; Y269-L273 HydrophobicContact CE1-CD1 3.91Å; Y269-L273 HydrophobicContact CE2-CD1 3.72Å; Y269-L273 HydrophobicContact CE2-CD2 3.76Å; Y269-L273 HydrophobicContact CE2-CG 3.65Å; Y269-L273 HydrophobicContact CG-CD1 4.34Å; Y269-L273 WeakPolarHBondContact O-CB 3.34Å; Y269-L273 WeakPolarHBondContact O-CG 3.45Å; Y269-L273 PolarHBondContact O-N 3.08Å; Y269-L292 HydrophobicContact CD2-CD2 3.94Å; Y269-L292 HydrophobicContact CG-CD2 4.3Å
270I97.2Very high95.5Very high111 Ų11171.4 Ų71.457%0.56936%0.355SS*.Hα-helixtrans-60.9-45.2174.3-67.3165.4000111.2A266 K267 S274A266-I270 WeakPolarHBondContact O-CG1 3.25Å; A266-I270 PolarHBondContact O-N 3.31Å; K267-I270 PolarHBondContact O-N 3.14Å; I270-S274 WeakPolarHBondContact O-CB 3.44Å; I270-S274 PolarHBondContact O-N 2.75Å; I270-S274 PolarHBondContact O-OG 2.91Å
271K95.6Very high94.9Very high78 Ų7873.8 Ų73.834%0.33936%0.362SS..Hα-helixtrans-54.9-55.7173.6172.4-175.3166.4-172.70110.6K267 N268 Y269 L273 S274 E275 E294K267-K271 PolarHBondContact O-N 2.72Å; N268-K271 PolarHBondContact O-N 3.16Å; Y269-K271 PolarHBondContact O-N 3.29Å; K271-L273 PolarHBondContact O-N 2.93Å; K271-S274 WeakPolarHBondContact O-CB 3.3Å; K271-S274 PolarHBondContact O-N 2.58Å; K271-S274 VanDerWaalsContact O-N 3.14Å; K271-E275 WeakPolarHBondContact CE-OE1 3.43Å; K271-E275 VanDerWaalsContact CG-OE1 3.25Å; K271-E275 WeakPolarHBondContact CG-OE1 3.16Å; K271-E275 WeakPolarHBondContact O-CG 3.36Å; K271-E275 PolarHBondContact O-N 3.4Å; K271-E294 IonicContact NZ-OE2 3.71Å; K271-E294 PolarHBondContact NZ-OE2 2.72Å
272T94.7Very high94.5Very high2 Ų277.5 Ų77.51%0.01239%0.387CS..Hα-helixtrans-55.8-53.3-179.4-52.10000110.7N268 Y269 S274 E275 L276 N291N268-T272 WeakPolarHBondContact O-CB 3.43Å; N268-T272 PolarHBondContact O-N 3.19Å; N268-T272 PolarHBondContact O-OG1 3.35Å; Y269-T272 PolarHBondContact O-N 2.72Å; T272-S274 VanDerWaalsContact C-N 3.28Å; T272-S274 PolarHBondContact O-N 2.95Å; T272-E275 WeakPolarHBondContact O-CB 3.4Å; T272-E275 PolarHBondContact O-N 3.38Å; T272-E275 VanDerWaalsContact O-N 3.12Å; T272-L276 HydrophobicContact CG2-CG 4.49Å; T272-L276 VanDerWaalsContact O-CG 3.3Å; T272-L276 WeakPolarHBondContact O-CG 3.5Å; T272-L276 PolarHBondContact O-N 3.28Å; T272-N291 HydrophobicContact CG2-CB 4.26Å; T272-N291 WeakPolarHBondContact OG1-CB 3.19Å
273L95.1Very high94.1Very high68 Ų6877.9 Ų77.936%0.35639%0.389SS..Hα-helixtrans-59.6-36.4179.7-70.5179.4000112.9Y269 K271 L276 L277Y269-L273 HydrophobicContact CD1-CD1 4.25Å; Y269-L273 HydrophobicContact CD2-CD1 4.08Å; Y269-L273 HydrophobicContact CD2-CD2 4.41Å; Y269-L273 HydrophobicContact CD2-CG 3.88Å; Y269-L273 HydrophobicContact CE1-CD1 3.91Å; Y269-L273 HydrophobicContact CE2-CD1 3.72Å; Y269-L273 HydrophobicContact CE2-CD2 3.76Å; Y269-L273 HydrophobicContact CE2-CG 3.65Å; Y269-L273 HydrophobicContact CG-CD1 4.34Å; Y269-L273 WeakPolarHBondContact O-CB 3.34Å; Y269-L273 WeakPolarHBondContact O-CG 3.45Å; Y269-L273 PolarHBondContact O-N 3.08Å; K271-L273 PolarHBondContact O-N 2.93Å; L273-L276 PolarHBondContact O-N 3.06Å; L273-L277 VanDerWaalsContact O-CG 3.31Å; L273-L277 WeakPolarHBondContact O-CG 3.27Å; L273-L277 PolarHBondContact O-N 3.07Å; L273-L277 VanDerWaalsContact O-N 3.08Å
274S95.8Very high93.8Very high53 Ų5376.9 Ų76.937%0.37139%0.387SS..Hα-helixtrans-64.8-43.9175.8-55.60000111.3I270 K271 T272 L276 L277 L278I270-S274 WeakPolarHBondContact O-CB 3.44Å; I270-S274 PolarHBondContact O-N 2.75Å; I270-S274 PolarHBondContact O-OG 2.91Å; K271-S274 WeakPolarHBondContact O-CB 3.3Å; K271-S274 PolarHBondContact O-N 2.58Å; K271-S274 VanDerWaalsContact O-N 3.14Å; T272-S274 VanDerWaalsContact C-N 3.28Å; T272-S274 PolarHBondContact O-N 2.95Å; S274-L276 VanDerWaalsContact C-N 3.35Å; S274-L276 PolarHBondContact O-N 3.46Å; S274-L277 PolarHBondContact O-N 2.96Å; S274-L278 WeakPolarHBondContact O-CD1 3.29Å; S274-L278 VanDerWaalsContact O-CG 3.27Å; S274-L278 WeakPolarHBondContact O-CG 3.31Å; S274-L278 PolarHBondContact O-N 3.34Å
275E93.1Very high93.5Very high62 Ų6273.3 Ų73.329%0.2938%0.38SS..Hα-helixtrans-61.5-41.3174.9-67.7161.5178.400111.2K271 T272 L277 L278 M279 N291K271-E275 WeakPolarHBondContact CE-OE1 3.43Å; K271-E275 VanDerWaalsContact CG-OE1 3.25Å; K271-E275 WeakPolarHBondContact CG-OE1 3.16Å; K271-E275 WeakPolarHBondContact O-CG 3.36Å; K271-E275 PolarHBondContact O-N 3.4Å; T272-E275 WeakPolarHBondContact O-CB 3.4Å; T272-E275 PolarHBondContact O-N 3.38Å; T272-E275 VanDerWaalsContact O-N 3.12Å; E275-L277 PolarHBondContact O-N 3.3Å; E275-L278 PolarHBondContact O-N 3.32Å; E275-M279 WeakPolarHBondContact O-CB 3.46Å; E275-M279 VanDerWaalsContact O-CG 3.27Å; E275-M279 WeakPolarHBondContact O-CG 3.2Å; E275-M279 PolarHBondContact O-N 3.36Å; E275-N291 PolarHBondContact OE2-ND2 3.43Å
276L93.8Very high93.3Very high40 Ų4075.9 Ų75.921%0.20939%0.393CS..Hα-helixtrans-62.9-42.9177.3-57.2-164.7000112.7T272 L273 S274 L278 N280 P283T272-L276 HydrophobicContact CG2-CG 4.49Å; T272-L276 VanDerWaalsContact O-CG 3.3Å; T272-L276 WeakPolarHBondContact O-CG 3.5Å; T272-L276 PolarHBondContact O-N 3.28Å; L273-L276 PolarHBondContact O-N 3.06Å; S274-L276 VanDerWaalsContact C-N 3.35Å; S274-L276 PolarHBondContact O-N 3.46Å; L276-L278 VanDerWaalsContact C-N 3.33Å; L276-N280 WeakPolarHBondContact O-CA 3.44Å; L276-N280 PolarHBondContact O-N 2.85Å; L276-P283 HydrophobicContact CD1-CG 3.9Å; L276-P283 HydrophobicContact CD2-CB 3.93Å; L276-P283 VanDerWaalsContact CD2-CD 3.5Å; L276-P283 HydrophobicContact CD2-CG 3.68Å; L276-P283 HydrophobicContact CG-CG 4.41Å
277L94.8Very high93Very high136 Ų13679.4 Ų79.471%0.71241%0.407SS*.Hα-helixtrans-67.3-33.1178.1-70.1171.3000112.4L273 S274 E275 N280L273-L277 VanDerWaalsContact O-CG 3.31Å; L273-L277 WeakPolarHBondContact O-CG 3.27Å; L273-L277 PolarHBondContact O-N 3.07Å; L273-L277 VanDerWaalsContact O-N 3.08Å; S274-L277 PolarHBondContact O-N 2.96Å; E275-L277 PolarHBondContact O-N 3.3Å; L277-N280 PolarHBondContact O-ND2 3.49Å
278L94Very high92.8Very high143 Ų14374.3 Ų74.375%0.74939%0.386SS*.Hα-helixtrans-76.9-45177.4-70.7166.6000111.9S274 E275 L276S274-L278 WeakPolarHBondContact O-CD1 3.29Å; S274-L278 VanDerWaalsContact O-CG 3.27Å; S274-L278 WeakPolarHBondContact O-CG 3.31Å; S274-L278 PolarHBondContact O-N 3.34Å; E275-L278 PolarHBondContact O-N 3.32Å; L276-L278 VanDerWaalsContact C-N 3.33Å
279M90.6Very high92.6Very high114 Ų11474.1 Ų74.156%0.56239%0.385SS*.Hα-helixtrans-80.3-18.8-175.7-63176.686.100113.2E275 K281E275-M279 WeakPolarHBondContact O-CB 3.46Å; E275-M279 VanDerWaalsContact O-CG 3.27Å; E275-M279 WeakPolarHBondContact O-CG 3.2Å; E275-M279 PolarHBondContact O-N 3.36Å; M279-K281 HydrophobicContact CB-CB 4.3Å; M279-K281 HydrophobicContact CB-CG 4.5Å; M279-K281 PolarHBondContact O-N 3.06Å; M279-K281 VanDerWaalsContact O-N 3.15Å
280N88.7Confident92.4Very high145 Ų14572.2 Ų72.278%0.77538%0.379SS*.THydrogen-bonded Turntrans50.731.4-171.2-68.5-78.5000113.2L276 L277L276-N280 WeakPolarHBondContact O-CA 3.44Å; L276-N280 PolarHBondContact O-N 2.85Å; L277-N280 PolarHBondContact O-ND2 3.49Å
281K86.6Confident92.2Very high143 Ų14368.5 Ų68.562%0.62236%0.36SS*.  trans-116.1137.4177.4-71.7173.8-176.5178.70108.8M279M279-K281 HydrophobicContact CB-CB 4.3Å; M279-K281 HydrophobicContact CB-CG 4.5Å; M279-K281 PolarHBondContact O-N 3.06Å; M279-K281 VanDerWaalsContact O-N 3.15Å
282T87.9Confident92.2Very high107 Ų10764.8 Ų64.866%0.65634%0.344SS*.PPolyproline II helixtrans-76.2130.6165.544.80000108.6M435T282-M435 HydrophobicContact CG2-CE 4.28Å
283P87.7Confident92.2Very high9 Ų964.8 Ų64.86%0.05834%0.343CS..PPolyproline II helixtrans-74.2153.2178.735.9-34.4000108.1L276 E287 M288L276-P283 HydrophobicContact CD1-CG 3.9Å; L276-P283 HydrophobicContact CD2-CB 3.93Å; L276-P283 VanDerWaalsContact CD2-CD 3.5Å; L276-P283 HydrophobicContact CD2-CG 3.68Å; L276-P283 HydrophobicContact CG-CG 4.41Å; P283-E287 WeakPolarHBondContact CA-OE2 3.49Å; P283-E287 HydrophobicContact CB-CB 4.28Å; P283-E287 HydrophobicContact CB-CG 4.06Å; P283-M288 HydrophobicContact CB-CB 4.45Å; P283-M288 HydrophobicContact CG-CB 4.07Å; P283-M288 HydrophobicContact CG-CE 3.7Å
284T91.1Very high92.1Very high77 Ų7765.9 Ų65.947%0.47235%0.347SS..PPolyproline II helixtrans-64.6153.4166.765.40000109.7L286 E287 M288T284-L286 PolarHBondContact O-N 2.84Å; T284-L286 VanDerWaalsContact O-N 3.15Å; T284-E287 PolarHBondContact N-OE2 3.31Å; T284-E287 WeakPolarHBondContact O-CB 3.4Å; T284-E287 PolarHBondContact O-N 3.4Å; T284-E287 VanDerWaalsContact O-N 3.08Å; T284-E287 WeakPolarHBondContact OG1-CB 3.37Å; T284-E287 PolarHBondContact OG1-N 2.7Å; T284-E287 VanDerWaalsContact OG1-N 3.16Å; T284-M288 PolarHBondContact O-N 3.06Å
285P91.2Very high91.9Very high45 Ų4565.7 Ų65.729%0.29235%0.354SS..Hα-helixtrans-54-36.7175.6-28.635.9000112.6M288 A289 I310 F437P285-M288 PolarHBondContact O-N 3.31Å; P285-A289 WeakPolarHBondContact O-CB 3.33Å; P285-A289 PolarHBondContact O-N 3.1Å; P285-I310 HydrophobicContact CB-CD1 4.28Å; P285-I310 WeakPolarHBondContact O-CD1 3.49Å; P285-F437 HydrophobicContact CG-CD2 4.19Å; P285-F437 HydrophobicContact CG-CE2 4.23Å; P285-F437 HydrophobicContact CG-CG 4.36Å; P285-F437 HydrophobicContact CG-CZ 4.46Å
286L91.8Very high92Very high54 Ų5463.9 Ų63.928%0.28335%0.346SS..Hα-helixtrans-64.2-45.8176.2-178.558.8000112.7T284 A289 I290 I310 I314 L318T284-L286 PolarHBondContact O-N 2.84Å; T284-L286 VanDerWaalsContact O-N 3.15Å; L286-A289 PolarHBondContact O-N 3.08Å; L286-I290 HydrophobicContact CD1-CD1 4.34Å; L286-I290 HydrophobicContact CG-CD1 4.16Å; L286-I290 VanDerWaalsContact O-CG1 3.28Å; L286-I290 WeakPolarHBondContact O-CG1 3.5Å; L286-I290 PolarHBondContact O-N 3.42Å; L286-I310 HydrophobicContact CD1-CG2 4.04Å; L286-I314 HydrophobicContact CD1-CG2 4.25Å; L286-I314 HydrophobicContact CD2-CG2 4.43Å; L286-L318 HydrophobicContact CD2-CD2 3.98Å; L286-L318 HydrophobicContact CG-CD2 4.33Å
287E91.8Very high92Very high85 Ų8564 Ų6440%0.39735%0.35SS..Hα-helixtrans-63.6-43.7175.7179.5177.4-157.600111.8P283 T284 A289 I290 N291P283-E287 WeakPolarHBondContact CA-OE2 3.49Å; P283-E287 HydrophobicContact CB-CB 4.28Å; P283-E287 HydrophobicContact CB-CG 4.06Å; T284-E287 PolarHBondContact N-OE2 3.31Å; T284-E287 WeakPolarHBondContact O-CB 3.4Å; T284-E287 PolarHBondContact O-N 3.4Å; T284-E287 VanDerWaalsContact O-N 3.08Å; T284-E287 WeakPolarHBondContact OG1-CB 3.37Å; T284-E287 PolarHBondContact OG1-N 2.7Å; T284-E287 VanDerWaalsContact OG1-N 3.16Å; E287-A289 VanDerWaalsContact C-N 3.34Å; E287-A289 PolarHBondContact O-N 3.19Å; E287-I290 PolarHBondContact O-N 2.83Å; E287-N291 PolarHBondContact O-N 3.19Å; E287-N291 PolarHBondContact O-OD1 3.24Å
288M93Very high91.8Very high31 Ų3161.3 Ų61.315%0.15333%0.334CS..Hα-helixtrans-59.2-44.7172.2-177.8177.2-71.700111.4P283 T284 P285 I290 N291 L292 L308P283-M288 HydrophobicContact CB-CB 4.45Å; P283-M288 HydrophobicContact CG-CB 4.07Å; P283-M288 HydrophobicContact CG-CE 3.7Å; T284-M288 PolarHBondContact O-N 3.06Å; P285-M288 PolarHBondContact O-N 3.31Å; M288-I290 PolarHBondContact O-N 3.26Å; M288-N291 PolarHBondContact O-N 3.24Å; M288-L292 HydrophobicContact CG-CD1 3.77Å; M288-L292 HydrophobicContact CG-CG 4.17Å; M288-L292 WeakPolarHBondContact O-CB 3.23Å; M288-L292 WeakPolarHBondContact O-CG 3.41Å; M288-L292 PolarHBondContact O-N 3.07Å; M288-L292 HydrophobicContact SD-CD1 4.38Å; M288-L308 HydrophobicContact CG-CD1 4.32Å; M288-L308 HydrophobicContact SD-CD2 4.37Å
289A93.8Very high91.8Very high0 Ų060 Ų600%033%0.328CS..Hα-helixtrans-61.9-43.8178.200000112.1P285 L286 E287 L292 T293 L308 I310 L315P285-A289 WeakPolarHBondContact O-CB 3.33Å; P285-A289 PolarHBondContact O-N 3.1Å; L286-A289 PolarHBondContact O-N 3.08Å; E287-A289 VanDerWaalsContact C-N 3.34Å; E287-A289 PolarHBondContact O-N 3.19Å; A289-L292 PolarHBondContact O-N 3.26Å; A289-T293 VanDerWaalsContact O-CB 3.31Å; A289-T293 WeakPolarHBondContact O-CB 3.46Å; A289-T293 VanDerWaalsContact O-CG2 3.3Å; A289-T293 WeakPolarHBondContact O-CG2 3.48Å; A289-T293 PolarHBondContact O-N 2.92Å; A289-T293 PolarHBondContact O-OG1 2.77Å; A289-L308 HydrophobicContact CB-CD1 3.75Å; A289-I310 HydrophobicContact CB-CD1 3.4Å; A289-L315 HydrophobicContact CB-CD1 3.89Å; A289-L315 HydrophobicContact CB-CD2 4.24Å
290I93.1Very high91.9Very high14 Ų1454.9 Ų54.97%0.07230%0.302CS..Hα-helixtrans-57.4-53.3176.1-72.5164.5000110.3L286 E287 M288 L292 T293 E294 L315 L318L286-I290 HydrophobicContact CD1-CD1 4.34Å; L286-I290 HydrophobicContact CG-CD1 4.16Å; L286-I290 VanDerWaalsContact O-CG1 3.28Å; L286-I290 WeakPolarHBondContact O-CG1 3.5Å; L286-I290 PolarHBondContact O-N 3.42Å; E287-I290 PolarHBondContact O-N 2.83Å; M288-I290 PolarHBondContact O-N 3.26Å; I290-L292 PolarHBondContact O-N 3.09Å; I290-T293 PolarHBondContact O-N 3.06Å; I290-T293 PolarHBondContact O-OG1 2.83Å; I290-E294 PolarHBondContact O-N 3.16Å; I290-L315 HydrophobicContact CB-CD1 4.46Å; I290-L315 HydrophobicContact CG1-CD1 3.64Å; I290-L318 HydrophobicContact CD1-CB 4.08Å; I290-L318 HydrophobicContact CD1-CD2 3.66Å
291N92.9Very high92.2Very high32 Ų3248 Ų4817%0.17127%0.266CS..Hα-helixtrans-64.1-39.5-176.9-65.43.6000111.8N268 T272 E275 E287 M288N268-N291 WeakPolarHBondContact CB-O 3.49Å; T272-N291 HydrophobicContact CG2-CB 4.26Å; T272-N291 WeakPolarHBondContact OG1-CB 3.19Å; E275-N291 PolarHBondContact OE2-ND2 3.43Å; E287-N291 PolarHBondContact O-N 3.19Å; E287-N291 PolarHBondContact O-OD1 3.24Å; M288-N291 PolarHBondContact O-N 3.24Å
292L94.9Very high92.5Very high1 Ų143.8 Ų43.81%0.00525%0.25CS..Hα-helixtrans-68.1-35.8176.7-70.6179.1000113.1P249 L265 N268 Y269 M288 A289 I290 L296 I304 L308P249-L292 HydrophobicContact CB-CD1 4.31Å; P249-L292 HydrophobicContact CG-CD1 4.26Å; L265-L292 HydrophobicContact CD1-CB 3.88Å; L265-L292 HydrophobicContact CD1-CD2 3.91Å; L265-L292 HydrophobicContact CD1-CG 4.39Å; L265-L292 WeakPolarHBondContact CD1-O 3.49Å; N268-L292 PolarHBondContact ND2-O 2.97Å; Y269-L292 HydrophobicContact CD2-CD2 3.94Å; Y269-L292 HydrophobicContact CG-CD2 4.3Å; M288-L292 HydrophobicContact CG-CD1 3.77Å; M288-L292 HydrophobicContact CG-CG 4.17Å; M288-L292 WeakPolarHBondContact O-CB 3.23Å; M288-L292 WeakPolarHBondContact O-CG 3.41Å; M288-L292 PolarHBondContact O-N 3.07Å; M288-L292 HydrophobicContact SD-CD1 4.38Å; A289-L292 PolarHBondContact O-N 3.26Å; I290-L292 PolarHBondContact O-N 3.09Å; L292-L296 WeakPolarHBondContact O-CD1 3.49Å; L292-I304 HydrophobicContact CB-CD1 4.16Å; L292-I304 HydrophobicContact CB-CG2 4.44Å; L292-I304 HydrophobicContact CD1-CG2 4.29Å; L292-L308 HydrophobicContact CD1-CD1 4.47Å
293T94.8Very high92.7Very high1 Ų139.9 Ų39.91%0.00623%0.225CC..Hα-helixtrans-90.6-0.2-171.955.50000115.2A289 I290 G295 L296 I304 L315 Q319A289-T293 VanDerWaalsContact O-CB 3.31Å; A289-T293 WeakPolarHBondContact O-CB 3.46Å; A289-T293 VanDerWaalsContact O-CG2 3.3Å; A289-T293 WeakPolarHBondContact O-CG2 3.48Å; A289-T293 PolarHBondContact O-N 2.92Å; A289-T293 PolarHBondContact O-OG1 2.77Å; I290-T293 PolarHBondContact O-N 3.06Å; I290-T293 PolarHBondContact O-OG1 2.83Å; T293-G295 PolarHBondContact O-N 2.75Å; T293-G295 VanDerWaalsContact O-N 3.07Å; T293-L296 PolarHBondContact O-N 3.18Å; T293-I304 HydrophobicContact CG2-CB 3.75Å; T293-I304 HydrophobicContact CG2-CD1 3.74Å; T293-I304 HydrophobicContact CG2-CG1 3.75Å; T293-I304 HydrophobicContact CG2-CG2 4.1Å; T293-L315 HydrophobicContact CG2-CD2 4.14Å; T293-Q319 PolarHBondContact OG1-NE2 3.25Å
294E92.6Very high92.9Very high91 Ų9139.5 Ų39.543%0.42522%0.222SC..THydrogen-bonded Turntrans-49.2112174-163.7-167.1142.700111.7N268 K271 I290 L296N268-E294 PolarHBondContact ND2-O 3.04Å; K271-E294 IonicContact NZ-OE2 3.71Å; K271-E294 PolarHBondContact NZ-OE2 2.72Å; I290-E294 PolarHBondContact O-N 3.16Å; E294-L296 VanDerWaalsContact C-N 3.34Å; E294-L296 PolarHBondContact O-N 3.04Å
295G92Very high93Very high50 Ų5035.8 Ų35.852%0.51520%0.2SC..THydrogen-bonded Turntrans71.616.3177.800000116.3R264 T293R264-G295 WeakPolarHBondContact CD-O 3.37Å; R264-G295 PolarHBondContact NH1-O 3.02Å; T293-G295 PolarHBondContact O-N 2.75Å; T293-G295 VanDerWaalsContact O-N 3.07Å
296L94.3Very high93Very high23 Ų2338.9 Ų38.912%0.1221%0.214CC..  trans-86.8166.6172.9-59.1-171.6000112.6R264 L265 L292 T293 E294 T300 I304R264-L296 HydrophobicContact CB-CD2 3.52Å; L265-L296 HydrophobicContact CB-CD1 4.07Å; L265-L296 HydrophobicContact CB-CD2 4.36Å; L265-L296 HydrophobicContact CD1-CD1 4.07Å; L265-L296 HydrophobicContact CD2-CD1 4.32Å; L265-L296 HydrophobicContact CG-CD1 4.38Å; L292-L296 WeakPolarHBondContact O-CD1 3.49Å; T293-L296 PolarHBondContact O-N 3.18Å; E294-L296 VanDerWaalsContact C-N 3.34Å; E294-L296 PolarHBondContact O-N 3.04Å; L296-T300 HydrophobicContact CB-CG2 4.26Å; L296-T300 HydrophobicContact CD1-CG2 3.69Å; L296-T300 HydrophobicContact CG-CG2 4.49Å; L296-I304 HydrophobicContact CD1-CD1 3.88Å
297S93.7Very high93Very high43 Ų4339 Ų3930%0.30122%0.217SC..  trans-70.2156173.1740000111.1E261 N299 T300 S301E261-S297 WeakPolarHBondContact OE1-CB 3.31Å; E261-S297 PolarHBondContact OE1-OG 3.11Å; S297-N299 PolarHBondContact O-N 3.47Å; S297-T300 PolarHBondContact O-N 3.33Å; S297-T300 VanDerWaalsContact O-N 3.16Å; S297-T300 PolarHBondContact OG-N 3.36Å; S297-T300 PolarHBondContact OG-OG1 3.49Å; S297-S301 PolarHBondContact O-N 2.95Å; S297-S301 PolarHBondContact O-OG 3.03Å; S297-S301 VanDerWaalsContact O-OG 3.1Å
298Q92.4Very high92.9Very high79 Ų7936.7 Ų36.737%0.36921%0.207SC..Hα-helixtrans-58.2-38.5176.4-170.659.766.900112.4S301 N302 I316Q298-S301 PolarHBondContact O-N 3.43Å; Q298-N302 PolarHBondContact NE2-OD1 2.72Å; Q298-N302 WeakPolarHBondContact O-CB 3.37Å; Q298-N302 PolarHBondContact O-N 3.33Å; Q298-N302 PolarHBondContact O-ND2 3.13Å; Q298-N302 PolarHBondContact O-OD1 3.17Å; Q298-I316 VanDerWaalsContact NE2-CD1 3.29Å; Q298-I316 VanDerWaalsContact NE2-CG1 3.31Å
299N92.8Very high92.8Very high117 Ų11743.8 Ų43.863%0.62624%0.24SC*.Hα-helixtrans-61.8-44.1177.5-68.349.8000111.6S297 L303S297-N299 PolarHBondContact O-N 3.47Å; N299-L303 PolarHBondContact O-N 3.41Å; N299-L303 VanDerWaalsContact O-N 3.14Å
300T93.4Very high92.7Very high5 Ų544.9 Ų44.93%0.03125%0.245CC..Hα-helixtrans-70.9-40.9177.2-66.90000111.2L257 E261 L296 S297 N302 L303 I304L257-T300 HydrophobicContact CD2-CG2 3.68Å; L257-T300 WeakPolarHBondContact CD2-OG1 3.48Å; E261-T300 VanDerWaalsContact CD-OG1 3.31Å; E261-T300 WeakPolarHBondContact OE1-CB 3.37Å; E261-T300 PolarHBondContact OE1-OG1 2.97Å; L296-T300 HydrophobicContact CB-CG2 4.26Å; L296-T300 HydrophobicContact CD1-CG2 3.69Å; L296-T300 HydrophobicContact CG-CG2 4.49Å; S297-T300 PolarHBondContact O-N 3.33Å; S297-T300 VanDerWaalsContact O-N 3.16Å; S297-T300 PolarHBondContact OG-N 3.36Å; S297-T300 PolarHBondContact OG-OG1 3.49Å; T300-N302 VanDerWaalsContact C-N 3.3Å; T300-N302 PolarHBondContact O-N 2.94Å; T300-L303 WeakPolarHBondContact O-CB 3.49Å; T300-L303 PolarHBondContact O-N 3Å; T300-L303 VanDerWaalsContact O-N 3.07Å; T300-I304 HydrophobicContact CG2-CG1 4.45Å; T300-I304 WeakPolarHBondContact O-CG1 3.44Å; T300-I304 PolarHBondContact O-N 3.02Å
301S94Very high92.6Very high2 Ų248.3 Ų48.31%0.01426%0.264CS..Hα-helixtrans-59.2-39.7174.4-61.10000112.6S297 Q298 I304 A305S297-S301 PolarHBondContact O-N 2.95Å; S297-S301 PolarHBondContact O-OG 3.03Å; S297-S301 VanDerWaalsContact O-OG 3.1Å; Q298-S301 PolarHBondContact O-N 3.43Å; S301-I304 PolarHBondContact O-N 2.97Å; S301-A305 WeakPolarHBondContact O-CB 3.43Å; S301-A305 PolarHBondContact O-N 2.79Å
302N92.9Very high92.4Very high54 Ų5448.6 Ų48.629%0.28927%0.268SS..Hα-helixtrans-65.4-37.8173.8-68.4-9000112.1Q298 T300 A305 N306Q298-N302 PolarHBondContact NE2-OD1 2.72Å; Q298-N302 WeakPolarHBondContact O-CB 3.37Å; Q298-N302 PolarHBondContact O-N 3.33Å; Q298-N302 PolarHBondContact O-ND2 3.13Å; Q298-N302 PolarHBondContact O-OD1 3.17Å; T300-N302 VanDerWaalsContact C-N 3.3Å; T300-N302 PolarHBondContact O-N 2.94Å; N302-A305 PolarHBondContact O-N 3.46Å; N302-N306 WeakPolarHBondContact O-CB 3.22Å; N302-N306 PolarHBondContact O-N 3.11Å; N302-N306 PolarHBondContact O-ND2 3.23Å
303L92.3Very high92.2Very high25 Ų2558.2 Ų58.213%0.13130%0.304CS..Hα-helixtrans-61.7-46.9173.7178.163.4000110.9Q255 L257 N299 T300 N306 T307Q255-L303 HydrophobicContact CG-CD2 4.41Å; L257-L303 HydrophobicContact CD2-CD2 4.4Å; N299-L303 PolarHBondContact O-N 3.41Å; N299-L303 VanDerWaalsContact O-N 3.14Å; T300-L303 WeakPolarHBondContact O-CB 3.49Å; T300-L303 PolarHBondContact O-N 3Å; T300-L303 VanDerWaalsContact O-N 3.07Å; L303-N306 PolarHBondContact O-N 3.39Å; L303-T307 PolarHBondContact O-N 3.46Å; L303-T307 PolarHBondContact O-OG1 2.93Å; L303-T307 VanDerWaalsContact O-OG1 3.1Å
304I93.1Very high92Very high0 Ų062 Ų620%032%0.323CS..Hα-helixtrans-62.3-45177.5-44.3-142.9000111T250 L265 L292 T293 L296 T300 S301 N306 T307 L308T250-I304 HydrophobicContact CG2-CB 3.99Å; T250-I304 HydrophobicContact CG2-CD1 3.97Å; T250-I304 HydrophobicContact CG2-CG1 3.81Å; T250-I304 HydrophobicContact CG2-CG2 3.87Å; L265-I304 HydrophobicContact CD1-CD1 3.62Å; L265-I304 HydrophobicContact CD2-CD1 3.74Å; L265-I304 HydrophobicContact CG-CD1 4.36Å; L292-I304 HydrophobicContact CB-CD1 4.16Å; L292-I304 HydrophobicContact CB-CG2 4.44Å; L292-I304 HydrophobicContact CD1-CG2 4.29Å; T293-I304 HydrophobicContact CG2-CB 3.75Å; T293-I304 HydrophobicContact CG2-CD1 3.74Å; T293-I304 HydrophobicContact CG2-CG1 3.75Å; T293-I304 HydrophobicContact CG2-CG2 4.1Å; L296-I304 HydrophobicContact CD1-CD1 3.88Å; T300-I304 HydrophobicContact CG2-CG1 4.45Å; T300-I304 WeakPolarHBondContact O-CG1 3.44Å; T300-I304 PolarHBondContact O-N 3.02Å; S301-I304 PolarHBondContact O-N 2.97Å; I304-N306 VanDerWaalsContact C-N 3.31Å; I304-N306 PolarHBondContact O-N 3.4Å; I304-T307 PolarHBondContact O-N 2.86Å; I304-L308 HydrophobicContact CG2-CD1 3.84Å; I304-L308 HydrophobicContact CG2-CG 4.36Å; I304-L308 PolarHBondContact O-N 3.49Å
305A92.8Very high91.8Very high0 Ų057.8 Ų57.80%030%0.304CS..Hα-helixtrans-56.9-44.8177.300000111.5S301 N302 L308 Q309 I310 P312 L315S301-A305 WeakPolarHBondContact O-CB 3.43Å; S301-A305 PolarHBondContact O-N 2.79Å; N302-A305 PolarHBondContact O-N 3.46Å; A305-L308 CarbonylContact O-C 3.51Å; A305-L308 PolarHBondContact O-N 2.91Å; A305-Q309 PolarHBondContact O-N 3.17Å; A305-I310 HydrophobicContact CB-CB 4.48Å; A305-I310 PolarHBondContact O-N 3.26Å; A305-P312 HydrophobicContact CB-CB 4.14Å; A305-L315 HydrophobicContact CB-CD2 3.96Å
306N90.9Very high91.7Very high110 Ų11057.8 Ų57.859%0.58829%0.292SS*.Hα-helixtrans-64.7-43.2176-67.7-16.7000112.3N302 L303 I304 L308 Q309N302-N306 WeakPolarHBondContact O-CB 3.22Å; N302-N306 PolarHBondContact O-N 3.11Å; N302-N306 PolarHBondContact O-ND2 3.23Å; L303-N306 PolarHBondContact O-N 3.39Å; I304-N306 VanDerWaalsContact C-N 3.31Å; I304-N306 PolarHBondContact O-N 3.4Å; N306-L308 VanDerWaalsContact C-N 3.29Å; N306-L308 PolarHBondContact O-N 3.07Å; N306-Q309 PolarHBondContact O-N 2.96Å
307T90.9Very high91.4Very high55 Ų5562.3 Ų62.334%0.33731%0.312SS..Hα-helixtrans-61.4-36.5176.6-58.70000112.4T250 L303 I304T250-T307 HydrophobicContact CG2-CG2 4.31Å; L303-T307 PolarHBondContact O-N 3.46Å; L303-T307 PolarHBondContact O-OG1 2.93Å; L303-T307 VanDerWaalsContact O-OG1 3.1Å; I304-T307 PolarHBondContact O-N 2.86Å
308L90.7Very high91.1Very high38 Ų3862.6 Ų62.620%0.19931%0.31CS..THydrogen-bonded Turntrans-93.88.3179.5-64.7178.2000113.9M288 A289 L292 I304 A305 N306 I310M288-L308 HydrophobicContact CG-CD1 4.32Å; M288-L308 HydrophobicContact SD-CD2 4.37Å; A289-L308 HydrophobicContact CB-CD1 3.75Å; L292-L308 HydrophobicContact CD1-CD1 4.47Å; I304-L308 HydrophobicContact CG2-CD1 3.84Å; I304-L308 HydrophobicContact CG2-CG 4.36Å; I304-L308 PolarHBondContact O-N 3.49Å; A305-L308 CarbonylContact O-C 3.51Å; A305-L308 PolarHBondContact O-N 2.91Å; N306-L308 VanDerWaalsContact C-N 3.29Å; N306-L308 PolarHBondContact O-N 3.07Å; L308-I310 VanDerWaalsContact C-N 3.29Å; L308-I310 HydrophobicContact CB-CD1 3.61Å; L308-I310 HydrophobicContact CB-CG1 4.32Å; L308-I310 HydrophobicContact CD1-CD1 4.34Å; L308-I310 PolarHBondContact O-N 3.48Å
309Q91.4Very high90.8Very high180 Ų18060.2 Ų60.284%0.84130%0.299SS*.THydrogen-bonded Turntrans57.933.8179.5-53.1-178.311.700114.8A305 N306A305-Q309 PolarHBondContact O-N 3.17Å; N306-Q309 PolarHBondContact O-N 2.96Å
310I90.3Very high90.4Very high22 Ų2263.1 Ų63.111%0.11330%0.301CS..  trans-102.7138.6-179-66.9153.3000110P285 L286 A289 A305 L308 P312 L315P285-I310 HydrophobicContact CB-CD1 4.28Å; P285-I310 WeakPolarHBondContact O-CD1 3.49Å; L286-I310 HydrophobicContact CD1-CG2 4.04Å; A289-I310 HydrophobicContact CB-CD1 3.4Å; A305-I310 HydrophobicContact CB-CB 4.48Å; A305-I310 PolarHBondContact O-N 3.26Å; L308-I310 VanDerWaalsContact C-N 3.29Å; L308-I310 HydrophobicContact CB-CD1 3.61Å; L308-I310 HydrophobicContact CB-CG1 4.32Å; L308-I310 HydrophobicContact CD1-CD1 4.34Å; L308-I310 PolarHBondContact O-N 3.48Å; I310-P312 WeakPolarHBondContact O-CD 3.41Å; I310-L315 HydrophobicContact CG2-CB 4.36Å
311N90.8Very high89.7Confident86 Ų8667.9 Ų67.946%0.4632%0.323SS..  trans-65.1118172.5-175.4-31.8000109.8R313 I314 L315N311-R313 PolarHBondContact O-N 2.9Å; N311-R313 VanDerWaalsContact O-N 3.1Å; N311-R313 WeakPolarHBondContact OD1-CB 3.39Å; N311-R313 PolarHBondContact OD1-N 3.4Å; N311-I314 HydrophobicContact CB-CD1 3.97Å; N311-I314 HydrophobicContact CB-CG1 4.09Å; N311-I314 PolarHBondContact O-N 3.31Å; N311-L315 PolarHBondContact O-N 3.32Å
312P89.6Confident88.7Confident39 Ų3972.6 Ų72.625%0.25335%0.345SS..Hα-helixtrans-61.4-26.3-174.223.4-33.9000113A305 I310 I314 L315 I316A305-P312 HydrophobicContact CB-CB 4.14Å; I310-P312 WeakPolarHBondContact O-CD 3.41Å; P312-I314 VanDerWaalsContact C-N 3.34Å; P312-I314 PolarHBondContact O-N 2.92Å; P312-L315 PolarHBondContact O-N 3.04Å; P312-I316 VanDerWaalsContact O-CD1 3.3Å; P312-I316 WeakPolarHBondContact O-CD1 3.37Å; P312-I316 WeakPolarHBondContact O-CG1 3.49Å; P312-I316 PolarHBondContact O-N 3.02Å
313R91.1Very high87.5Confident202 Ų20276.1 Ų76.176%0.76236%0.359SS*.Hα-helixtrans-63.2-39.6175.7-65.8-175.8177.7171.30.1112.3N311 Q317N311-R313 PolarHBondContact O-N 2.9Å; N311-R313 VanDerWaalsContact O-N 3.1Å; N311-R313 WeakPolarHBondContact OD1-CB 3.39Å; N311-R313 PolarHBondContact OD1-N 3.4Å; R313-Q317 WeakPolarHBondContact O-CB 3.43Å; R313-Q317 PolarHBondContact O-N 3.4Å; R313-Q317 VanDerWaalsContact O-N 3.09Å
314I89.1Confident86.2Confident80 Ų8078 Ų7841%0.4137%0.374SS..Hα-helixtrans-65.6-47178.3-59.4178.7000109.4L286 N311 P312 I316 Q317 L318L286-I314 HydrophobicContact CD1-CG2 4.25Å; L286-I314 HydrophobicContact CD2-CG2 4.43Å; N311-I314 HydrophobicContact CB-CD1 3.97Å; N311-I314 HydrophobicContact CB-CG1 4.09Å; N311-I314 PolarHBondContact O-N 3.31Å; P312-I314 VanDerWaalsContact C-N 3.34Å; P312-I314 PolarHBondContact O-N 2.92Å; I314-I316 PolarHBondContact O-N 3.45Å; I314-Q317 PolarHBondContact O-N 2.8Å; I314-L318 HydrophobicContact CG2-CD1 4.11Å; I314-L318 WeakPolarHBondContact O-CD1 3.48Å; I314-L318 PolarHBondContact O-N 3.02Å
315L89.7Confident84.7Confident3 Ų381 Ų812%0.01640%0.396CS..Hα-helixtrans-59-48179.3-176.361.7000112A289 I290 T293 A305 I310 N311 P312 Q317 L318 Q319A289-L315 HydrophobicContact CB-CD1 3.89Å; A289-L315 HydrophobicContact CB-CD2 4.24Å; I290-L315 HydrophobicContact CB-CD1 4.46Å; I290-L315 HydrophobicContact CG1-CD1 3.64Å; T293-L315 HydrophobicContact CG2-CD2 4.14Å; A305-L315 HydrophobicContact CB-CD2 3.96Å; I310-L315 HydrophobicContact CG2-CB 4.36Å; N311-L315 PolarHBondContact O-N 3.32Å; P312-L315 PolarHBondContact O-N 3.04Å; L315-Q317 VanDerWaalsContact C-N 3.31Å; L315-Q317 PolarHBondContact O-N 3.09Å; L315-L318 PolarHBondContact O-N 2.89Å; L315-Q319 WeakPolarHBondContact O-CG 3.47Å; L315-Q319 PolarHBondContact O-N 3.47Å
316I89.2Confident83.2Confident51 Ų5184.1 Ų84.126%0.26242%0.417SS..Hα-helixtrans-60.4-41.3177.7-64.6160.5000111.2Q298 P312 I314 Q319 R320Q298-I316 VanDerWaalsContact NE2-CD1 3.29Å; Q298-I316 VanDerWaalsContact NE2-CG1 3.31Å; P312-I316 VanDerWaalsContact O-CD1 3.3Å; P312-I316 WeakPolarHBondContact O-CD1 3.37Å; P312-I316 WeakPolarHBondContact O-CG1 3.49Å; P312-I316 PolarHBondContact O-N 3.02Å; I314-I316 PolarHBondContact O-N 3.45Å; I316-Q319 PolarHBondContact O-N 3.29Å; I316-R320 WeakPolarHBondContact O-CG 3.46Å; I316-R320 PolarHBondContact O-N 3.04Å
317Q88.4Confident82.1Confident118 Ų11886 Ų8655%0.55142%0.421SS*.Hα-helixtrans-64.3-44.3-179.7-177.4170.7-17.300111.7R313 I314 L315 R320 Q321R313-Q317 WeakPolarHBondContact O-CB 3.43Å; R313-Q317 PolarHBondContact O-N 3.4Å; R313-Q317 VanDerWaalsContact O-N 3.09Å; I314-Q317 PolarHBondContact O-N 2.8Å; L315-Q317 VanDerWaalsContact C-N 3.31Å; L315-Q317 PolarHBondContact O-N 3.09Å; Q317-R320 PolarHBondContact O-N 3.11Å; Q317-Q321 WeakPolarHBondContact O-CG 3.45Å; Q317-Q321 PolarHBondContact O-N 2.74Å; Q317-Q321 VanDerWaalsContact O-N 3.14Å
318L86.9Confident81Confident48 Ų4889 Ų8925%0.25143%0.434SS..Hα-helixtrans-68.8-40177.5-88.768.4000112L286 I290 I314 L315 R320 Q321 Q322L286-L318 HydrophobicContact CD2-CD2 3.98Å; L286-L318 HydrophobicContact CG-CD2 4.33Å; I290-L318 HydrophobicContact CD1-CB 4.08Å; I290-L318 HydrophobicContact CD1-CD2 3.66Å; I314-L318 HydrophobicContact CG2-CD1 4.11Å; I314-L318 WeakPolarHBondContact O-CD1 3.48Å; I314-L318 PolarHBondContact O-N 3.02Å; L315-L318 PolarHBondContact O-N 2.89Å; L318-R320 VanDerWaalsContact C-N 3.32Å; L318-R320 PolarHBondContact O-N 3.39Å; L318-Q321 WeakPolarHBondContact O-CB 3.26Å; L318-Q321 PolarHBondContact O-N 3.44Å; L318-Q322 PolarHBondContact O-N 3.05Å
319Q87.2Confident79.9Confident29 Ų2993.7 Ų93.714%0.13646%0.455CS..Hα-helixtrans-56.8-44.1172.8-76.1177.3-18.200112.1T293 L315 I316 Q321 Q322 Q323T293-Q319 PolarHBondContact OG1-NE2 3.25Å; L315-Q319 WeakPolarHBondContact O-CG 3.47Å; L315-Q319 PolarHBondContact O-N 3.47Å; I316-Q319 PolarHBondContact O-N 3.29Å; Q319-Q321 VanDerWaalsContact C-N 3.34Å; Q319-Q321 PolarHBondContact O-N 3.32Å; Q319-Q322 PolarHBondContact O-N 3.36Å; Q319-Q323 WeakPolarHBondContact O-CG 3.43Å; Q319-Q323 PolarHBondContact O-N 3.12Å
320R83.4Confident78.8Confident179 Ų17990.2 Ų90.268%0.67544%0.438SS*.Hα-helixtrans-64.9-36.3177.4-74-178.568.8-154.2-0.8112.5I316 Q317 L318 Q323 S324I316-R320 WeakPolarHBondContact O-CG 3.46Å; I316-R320 PolarHBondContact O-N 3.04Å; Q317-R320 PolarHBondContact O-N 3.11Å; L318-R320 VanDerWaalsContact C-N 3.32Å; L318-R320 PolarHBondContact O-N 3.39Å; R320-Q323 PolarHBondContact O-N 3.04Å; R320-S324 PolarHBondContact O-N 3.46Å
321Q80Confident77.9Confident105 Ų10593.7 Ų93.749%0.49145%0.454SS..Hα-helixtrans-63.2-46.1174.8-72.8172.7-13.500111.2Q317 L318 Q319 Q323 S324 S325Q317-Q321 WeakPolarHBondContact O-CG 3.45Å; Q317-Q321 PolarHBondContact O-N 2.74Å; Q317-Q321 VanDerWaalsContact O-N 3.14Å; L318-Q321 WeakPolarHBondContact O-CB 3.26Å; L318-Q321 PolarHBondContact O-N 3.44Å; Q319-Q321 VanDerWaalsContact C-N 3.34Å; Q319-Q321 PolarHBondContact O-N 3.32Å; Q321-Q323 VanDerWaalsContact C-N 3.33Å; Q321-Q323 PolarHBondContact O-N 2.91Å; Q321-S324 PolarHBondContact O-N 3.48Å; Q321-S324 VanDerWaalsContact O-N 3.09Å; Q321-S324 PolarHBondContact O-OG 3.45Å; Q321-S325 PolarHBondContact O-N 3.02Å; Q321-S325 PolarHBondContact O-OG 3.15Å
322Q72.4Confident77.2Confident101 Ų10194.6 Ų94.647%0.47246%0.455SS..Hα-helixtrans-63.5-34.7177-68.3-174-2.700113.6L318 Q319 S325 S326L318-Q322 PolarHBondContact O-N 3.05Å; Q319-Q322 PolarHBondContact O-N 3.36Å; Q322-S325 WeakPolarHBondContact CA-OG 3.24Å; Q322-S325 PolarHBondContact O-OG 3.18Å; Q322-S326 PolarHBondContact O-N 3.44Å; Q322-S326 VanDerWaalsContact O-N 3.08Å; Q322-S326 PolarHBondContact O-OG 2.96Å
323Q68.3Low76.4Confident128 Ų12897.7 Ų97.760%0.59847%0.466SS*.Hα-helixtrans-68.2-34.7172.8-70.91754.600112.3Q319 R320 Q321 S326 F327Q319-Q323 WeakPolarHBondContact O-CG 3.43Å; Q319-Q323 PolarHBondContact O-N 3.12Å; R320-Q323 PolarHBondContact O-N 3.04Å; Q321-Q323 VanDerWaalsContact C-N 3.33Å; Q321-Q323 PolarHBondContact O-N 2.91Å; Q323-S326 PolarHBondContact O-OG 3.49Å; Q323-F327 WeakPolarHBondContact O-CB 3.41Å; Q323-F327 PolarHBondContact O-N 2.88Å; Q323-F327 VanDerWaalsContact O-N 3.08Å
324S63.4Low75.7Confident64 Ų6493.4 Ų93.445%0.44846%0.455SS..Hα-helixtrans-70-38.2176710000112.5R320 Q321 L328R320-S324 PolarHBondContact O-N 3.46Å; Q321-S324 PolarHBondContact O-N 3.48Å; Q321-S324 VanDerWaalsContact O-N 3.09Å; Q321-S324 PolarHBondContact O-OG 3.45Å; S324-L328 WeakPolarHBondContact O-CB 3.48Å; S324-L328 WeakPolarHBondContact O-CG 3.39Å; S324-L328 PolarHBondContact O-N 3.26Å; S324-L328 VanDerWaalsContact O-N 3.07Å
325S62.3Low75.1Confident64 Ų6494.2 Ų94.245%0.44846%0.457SS..Hα-helixtrans-68.8-40.817655.40000112.1Q321 Q322 L328 Q329Q321-S325 PolarHBondContact O-N 3.02Å; Q321-S325 PolarHBondContact O-OG 3.15Å; Q322-S325 WeakPolarHBondContact CA-OG 3.24Å; Q322-S325 PolarHBondContact O-OG 3.18Å; S325-L328 PolarHBondContact O-N 3.36Å; S325-Q329 VanDerWaalsContact O-CB 3.29Å; S325-Q329 WeakPolarHBondContact O-CB 3.34Å; S325-Q329 PolarHBondContact O-N 3.13Å
326S62.1Low74.5Confident65 Ų6598.2 Ų98.246%0.45548%0.476SS..Hα-helixtrans-68.6-35.5177.362.60000112.7Q322 Q323 H330Q322-S326 PolarHBondContact O-N 3.44Å; Q322-S326 VanDerWaalsContact O-N 3.08Å; Q322-S326 PolarHBondContact O-OG 2.96Å; Q323-S326 PolarHBondContact O-OG 3.49Å; S326-H330 VanDerWaalsContact O-CB 3.3Å; S326-H330 WeakPolarHBondContact O-CB 3.35Å; S326-H330 PolarHBondContact O-N 2.97Å
327F66.9Low73.8Confident150 Ų150100.6 Ų100.666%0.65849%0.486SS*.Hα-helixtrans-65.1-45.4173.1-175.2-96.9000112.3Q323 H330 H331Q323-F327 WeakPolarHBondContact O-CB 3.41Å; Q323-F327 PolarHBondContact O-N 2.88Å; Q323-F327 VanDerWaalsContact O-N 3.08Å; F327-H330 PolarHBondContact O-N 3.25Å; F327-H331 WeakPolarHBondContact O-CB 3.45Å; F327-H331 PolarHBondContact O-N 2.96Å
328L68.6Low73.2Confident116 Ų116100.7 Ų100.761%0.60749%0.486SS*.Hα-helixtrans-62.6-42.4176.2-74.9168.8000111.9S324 S325 H331 H332S324-L328 WeakPolarHBondContact O-CB 3.48Å; S324-L328 WeakPolarHBondContact O-CG 3.39Å; S324-L328 PolarHBondContact O-N 3.26Å; S324-L328 VanDerWaalsContact O-N 3.07Å; S325-L328 PolarHBondContact O-N 3.36Å; L328-H331 PolarHBondContact O-N 3.5Å; L328-H332 WeakPolarHBondContact O-CB 3.49Å; L328-H332 PolarHBondContact O-N 3.12Å
329Q66.5Low72.6Confident137 Ų137103.9 Ų103.964%0.6450%0.499SS*.Hα-helixtrans-63.6-47.4176.9-170.9168.818.100111.4S325 H331 H332 E333S325-Q329 VanDerWaalsContact O-CB 3.29Å; S325-Q329 WeakPolarHBondContact O-CB 3.34Å; S325-Q329 PolarHBondContact O-N 3.13Å; Q329-H331 VanDerWaalsContact C-N 3.33Å; Q329-H331 PolarHBondContact O-N 2.9Å; Q329-H332 PolarHBondContact O-N 3.03Å; Q329-E333 WeakPolarHBondContact O-CB 3.32Å; Q329-E333 PolarHBondContact O-N 2.98Å
330H69.2Low72Confident107 Ų107108.1 Ų108.150%0.49552%0.519SS..Hα-helixtrans-66-34.1179.8-161.5-21.8000112.5S326 F327 Q334S326-H330 VanDerWaalsContact O-CB 3.3Å; S326-H330 WeakPolarHBondContact O-CB 3.35Å; S326-H330 PolarHBondContact O-N 2.97Å; F327-H330 PolarHBondContact O-N 3.25Å; H330-Q334 PolarHBondContact CE1-NE2 3.32Å; H330-Q334 PolarHBondContact ND1-NE2 3Å; H330-Q334 WeakPolarHBondContact O-CG 3.34Å; H330-Q334 PolarHBondContact O-N 3Å
331H71.5Confident71.4Confident95 Ų95105 Ų10544%0.4451%0.512SS..Hα-helixtrans-68.8-41.8173.4-176-101000111.8F327 L328 Q329 Q334 Q335F327-H331 WeakPolarHBondContact O-CB 3.45Å; F327-H331 PolarHBondContact O-N 2.96Å; L328-H331 PolarHBondContact O-N 3.5Å; Q329-H331 VanDerWaalsContact C-N 3.33Å; Q329-H331 PolarHBondContact O-N 2.9Å; H331-Q334 PolarHBondContact O-N 3.39Å; H331-Q335 PolarHBondContact CE1-NE2 3Å; H331-Q335 WeakPolarHBondContact O-CG 3.31Å; H331-Q335 PolarHBondContact O-N 3.12Å
332H75.7Confident70.8Confident105 Ų105104.6 Ų104.649%0.48651%0.51SS..Hα-helixtrans-64.3-40.9175.1-172.659.7000111.9L328 Q329 Q335 Q336L328-H332 WeakPolarHBondContact O-CB 3.49Å; L328-H332 PolarHBondContact O-N 3.12Å; Q329-H332 PolarHBondContact O-N 3.03Å; H332-Q335 PolarHBondContact O-N 2.94Å; H332-Q336 PolarHBondContact CD2-NE2 2.83Å; H332-Q336 VanDerWaalsContact CD2-NE2 3.3Å; H332-Q336 PolarHBondContact NE2-NE2 3.08Å; H332-Q336 WeakPolarHBondContact O-CG 3.39Å; H332-Q336 PolarHBondContact O-N 2.84Å
333E72.2Confident70.4Confident104 Ų104105.3 Ų105.349%0.48651%0.514SS..Hα-helixtrans-67.7-39.5178.1-165.3167.2-151.500112.2Q329 Q336 Q337Q329-E333 WeakPolarHBondContact O-CB 3.32Å; Q329-E333 PolarHBondContact O-N 2.98Å; E333-Q336 PolarHBondContact O-N 3.37Å; E333-Q337 WeakPolarHBondContact O-CG 3.39Å; E333-Q337 PolarHBondContact O-N 2.79Å
334Q76.6Confident69.9Low112 Ų112102.1 Ų102.152%0.52351%0.506SS..Hα-helixtrans-62.3-40.8169.6-77.6-175.130.500112.3H330 H331 Q337 H338H330-Q334 PolarHBondContact CE1-NE2 3.32Å; H330-Q334 PolarHBondContact ND1-NE2 3Å; H330-Q334 WeakPolarHBondContact O-CG 3.34Å; H330-Q334 PolarHBondContact O-N 3Å; H331-Q334 PolarHBondContact O-N 3.39Å; Q334-Q337 PolarHBondContact O-N 2.74Å; Q334-H338 WeakPolarHBondContact O-CB 3.37Å; Q334-H338 PolarHBondContact O-N 3.49Å
335Q76.8Confident69.7Low97 Ų97104.3 Ų104.345%0.45351%0.511SS..Hα-helixtrans-63.8-41.4175.5-75.8-173.8-7.800112.2H331 H332 H338 Q339H331-Q335 PolarHBondContact CE1-NE2 3Å; H331-Q335 WeakPolarHBondContact O-CG 3.31Å; H331-Q335 PolarHBondContact O-N 3.12Å; H332-Q335 PolarHBondContact O-N 2.94Å; Q335-H338 PolarHBondContact O-N 3.4Å; Q335-Q339 WeakPolarHBondContact O-CG 3.29Å; Q335-Q339 PolarHBondContact O-N 3.14Å
336Q76.2Confident69.4Low88 Ų88106.3 Ų106.341%0.41152%0.517SS..Hα-helixtrans-62.9-44.9175.1-72.3-170.232.100111.9H332 E333 H338 Q339 Q340H332-Q336 PolarHBondContact CD2-NE2 2.83Å; H332-Q336 VanDerWaalsContact CD2-NE2 3.3Å; H332-Q336 PolarHBondContact NE2-NE2 3.08Å; H332-Q336 WeakPolarHBondContact O-CG 3.39Å; H332-Q336 PolarHBondContact O-N 2.84Å; E333-Q336 PolarHBondContact O-N 3.37Å; Q336-H338 VanDerWaalsContact C-N 3.31Å; Q336-H338 PolarHBondContact O-N 2.57Å; Q336-Q339 PolarHBondContact O-N 3.46Å; Q336-Q340 WeakPolarHBondContact O-CG 3.33Å; Q336-Q340 PolarHBondContact O-N 2.95Å
337Q75.8Confident69Low101 Ų101110.7 Ų110.747%0.47253%0.53SS..Hα-helixtrans-61.9-39.1176-70.8176.622.600111.9E333 Q334 Q340 Q341E333-Q337 WeakPolarHBondContact O-CG 3.39Å; E333-Q337 PolarHBondContact O-N 2.79Å; Q334-Q337 PolarHBondContact O-N 2.74Å; Q337-Q340 PolarHBondContact O-N 2.86Å; Q337-Q341 WeakPolarHBondContact O-CG 3.43Å; Q337-Q341 PolarHBondContact O-N 3.12Å
338H75.3Confident68.5Low119 Ų119108.4 Ų108.455%0.55153%0.532SS*.Hα-helixtrans-70.2-30.2177.5-154.368.4000112.8Q334 Q335 Q336 Q342Q334-H338 WeakPolarHBondContact O-CB 3.37Å; Q334-H338 PolarHBondContact O-N 3.49Å; Q335-H338 PolarHBondContact O-N 3.4Å; Q336-H338 VanDerWaalsContact C-N 3.31Å; Q336-H338 PolarHBondContact O-N 2.57Å; H338-Q342 PolarHBondContact CD2-NE2 3Å; H338-Q342 WeakPolarHBondContact O-CG 3.35Å; H338-Q342 PolarHBondContact O-N 2.92Å; H338-Q342 PolarHBondContact O-NE2 2.8Å
339Q74.7Confident67.7Low115 Ų115107.4 Ų107.454%0.53754%0.535SS..Hα-helixtrans-71-42.9170.3-74.2-177.416.200112.1Q335 Q336 Q341 Q342 Q343Q335-Q339 WeakPolarHBondContact O-CG 3.29Å; Q335-Q339 PolarHBondContact O-N 3.14Å; Q336-Q339 PolarHBondContact O-N 3.46Å; Q339-Q341 PolarHBondContact O-N 2.84Å; Q339-Q342 PolarHBondContact O-N 3.46Å; Q339-Q343 WeakPolarHBondContact O-CG 3.49Å; Q339-Q343 PolarHBondContact O-N 2.99Å
340Q74.3Confident66.9Low118 Ų118107.2 Ų107.255%0.55154%0.539SS*.Hα-helixtrans-62.1-40.9177.5-71.8175.131.600112.1Q336 Q337 Q343 S344Q336-Q340 WeakPolarHBondContact O-CG 3.33Å; Q336-Q340 PolarHBondContact O-N 2.95Å; Q337-Q340 PolarHBondContact O-N 2.86Å; Q340-Q343 PolarHBondContact O-N 2.9Å; Q340-S344 PolarHBondContact O-N 3.46Å; Q340-S344 PolarHBondContact O-OG 3.41Å
341Q71.5Confident65.9Low113 Ų113110.9 Ų110.953%0.52856%0.556SS.*Hα-helixtrans-62.9-42.7174.3-73.2179.816.400112.1Q337 Q339 Q343 S344 I345Q337-Q341 WeakPolarHBondContact O-CG 3.43Å; Q337-Q341 PolarHBondContact O-N 3.12Å; Q339-Q341 PolarHBondContact O-N 2.84Å; Q341-Q343 PolarHBondContact O-N 3.33Å; Q341-S344 PolarHBondContact O-N 3.41Å; Q341-S344 PolarHBondContact O-OG 3.38Å; Q341-I345 WeakPolarHBondContact O-CD1 3.43Å; Q341-I345 VanDerWaalsContact O-CG1 3.29Å; Q341-I345 WeakPolarHBondContact O-CG1 3.45Å; Q341-I345 PolarHBondContact O-N 3Å
342Q67.3Low64.7Low98 Ų98114 Ų11446%0.45858%0.576SS.*Hα-helixtrans-65.1-36.2176.2-75.7171.69100112.9H338 Q339 I345 N346H338-Q342 PolarHBondContact CD2-NE2 3Å; H338-Q342 WeakPolarHBondContact O-CG 3.35Å; H338-Q342 PolarHBondContact O-N 2.92Å; H338-Q342 PolarHBondContact O-NE2 2.8Å; Q339-Q342 PolarHBondContact O-N 3.46Å; Q342-I345 PolarHBondContact O-N 3.36Å; Q342-N346 PolarHBondContact O-N 3.09Å; Q342-N346 VanDerWaalsContact O-N 3.07Å; Q342-N346 PolarHBondContact O-ND2 3.41Å
343Q62.3Low63.4Low116 Ų116118.6 Ų118.654%0.54260%0.597SS.*Hα-helixtrans-64.5-46.6173.8-72.3173.23.500111.3Q339 Q340 Q341 I345 N346 E347Q339-Q343 WeakPolarHBondContact O-CG 3.49Å; Q339-Q343 PolarHBondContact O-N 2.99Å; Q340-Q343 PolarHBondContact O-N 2.9Å; Q341-Q343 PolarHBondContact O-N 3.33Å; Q343-I345 VanDerWaalsContact C-N 3.29Å; Q343-I345 PolarHBondContact O-N 2.92Å; Q343-N346 PolarHBondContact O-N 2.92Å; Q343-N346 VanDerWaalsContact O-N 3.16Å; Q343-E347 PolarHBondContact O-N 3.37Å
344S59.4Low62Low61 Ų61119 Ų11943%0.42761%0.612SS.*Hα-helixtrans-62.7-32.3176.361.90000113.9Q340 Q341 S348Q340-S344 PolarHBondContact O-N 3.46Å; Q340-S344 PolarHBondContact O-OG 3.41Å; Q341-S344 PolarHBondContact O-N 3.41Å; Q341-S344 PolarHBondContact O-OG 3.38Å; S344-S348 WeakPolarHBondContact O-CB 3.39Å; S344-S348 PolarHBondContact O-N 3.07Å; S344-S348 PolarHBondContact O-OG 3.46Å
345I59Low60.5Low110 Ų110121.1 Ų121.156%0.56463%0.627SS**Hα-helixtrans-70.7-38.8176-69.4163.9000110.7Q341 Q342 Q343 S348Q341-I345 WeakPolarHBondContact O-CD1 3.43Å; Q341-I345 VanDerWaalsContact O-CG1 3.29Å; Q341-I345 WeakPolarHBondContact O-CG1 3.45Å; Q341-I345 PolarHBondContact O-N 3Å; Q342-I345 PolarHBondContact O-N 3.36Å; Q343-I345 VanDerWaalsContact C-N 3.29Å; Q343-I345 PolarHBondContact O-N 2.92Å; I345-S348 PolarHBondContact O-N 3.18Å
346N56.5Low59.2Low105 Ų105124.5 Ų124.556%0.56164%0.642SS**Hα-helixtrans-76.1-33.1179.7-70.8-18.5000113.4Q342 Q343 S348 S349 N350Q342-N346 PolarHBondContact O-N 3.09Å; Q342-N346 VanDerWaalsContact O-N 3.07Å; Q342-N346 PolarHBondContact O-ND2 3.41Å; Q343-N346 PolarHBondContact O-N 2.92Å; Q343-N346 VanDerWaalsContact O-N 3.16Å; N346-S348 VanDerWaalsContact C-N 3.33Å; N346-S349 PolarHBondContact O-N 3.21Å; N346-N350 PolarHBondContact O-ND2 3.05Å
347E53.5Low57.7Low157 Ų157127.9 Ų127.973%0.73466%0.663SS**Hα-helixtrans-69.8-31.3172.2-71.3-177167.300111.8Q343 S349Q343-E347 PolarHBondContact O-N 3.37Å; E347-S349 PolarHBondContact O-N 3.43Å
348S55Low56.2Low102 Ų102131.6 Ų131.671%0.71368%0.68SS**THydrogen-bonded Turntrans-71.9-9.6176.7-58.50000114.6S344 I345 N346S344-S348 WeakPolarHBondContact O-CB 3.39Å; S344-S348 PolarHBondContact O-N 3.07Å; S344-S348 PolarHBondContact O-OG 3.46Å; I345-S348 PolarHBondContact O-N 3.18Å; N346-S348 VanDerWaalsContact C-N 3.33Å
349S52.5Low54.6Low96 Ų96130.8 Ų130.867%0.67169%0.688SS**THydrogen-bonded Turntrans-1052.8-172.8-169.60000114.9N346 E347N346-S349 PolarHBondContact O-N 3.21Å; E347-S349 PolarHBondContact O-N 3.43Å
350N49.2Very low53.1Low132 Ų132132.7 Ų132.771%0.70670%0.701SS**SBendtrans-120.326.5-172.6-73.3-67.1000114N346N346-N350 PolarHBondContact O-ND2 3.05Å
351H48.8Very low51.5Low185 Ų185132.4 Ų132.486%0.85671%0.712SS**  trans-139.152.2-177.5-117.440.5000113.5
352D45.6Very low50Low160 Ų160131.6 Ų131.686%0.85672%0.719SS**SBendtrans-15558.6168-129.9-11.1000112.5
353Q49.7Very low48.9Very low201 Ų201132 Ų13294%0.93973%0.732SS**  trans-165.483.2166.9-120.516380.800111.6
354S42.3Very low47.9Very low114 Ų114131.3 Ų131.380%0.79774%0.741SS**  trans-139.671.1172.265.70000111.5
355D44.8Very low47.1Very low155 Ų155133.6 Ų133.683%0.82976%0.757SS**  trans-159.1145.4155.4-100.2-37.6000110
356H49.8Very low46.3Very low168 Ų168133.1 Ų133.178%0.77876%0.763SS**  trans61.4104.3-174.5-53.7-40.2000115.4
357N45.3Very low45.5Very low159 Ų159133.2 Ų133.285%0.8577%0.772SS**  -165.6167.965.5-97-53.8000114.2
358Q43.5Very low45Very low179 Ų179131.6 Ų131.684%0.83678%0.778SS**  trans-77.1149.7-179.7-59.9167.73.500112.6
359S42.6Very low44.1Very low102 Ų102132.5 Ų132.571%0.71379%0.785SS**  132.3123.6123.872.70000117.4
360L42.2Very low43.6Very low155 Ų155133.7 Ų133.781%0.81279%0.793SS**  trans63.6122138.4-64.3165.1000122
361S41.2Very low43.1Very low112 Ų112135 Ų13578%0.78380%0.799SS**  trans71.2151.5142.672.60000119.1
362S40.5Very low43.2Very low96 Ų96131.8 Ų131.867%0.67180%0.797SS**  cis-173.3141-23.248.20000111.4
363S42.2Very low42.8Very low106 Ų106131.5 Ų131.574%0.74180%0.796SS**  trans64.9161.6146.6600000123.1
364S42.3Very low42.6Very low103 Ų103131.2 Ų131.272%0.7279%0.794SS**  trans69.6116.7171.948.40000117.7
365S43.2Very low42.3Very low108 Ų108133.4 Ų133.476%0.75580%0.796SS**  71.4138.258.278.90000112.8
366S41.9Very low42.3Very low101 Ų101135 Ų13571%0.70680%0.796SS**  cis-170.7159.310.832.10000111.6
367S39.9Very low41.5Very low107 Ų107132.5 Ų132.575%0.74880%0.796SS**  trans14.4136151.861.30000122.3
368S41.8Very low41.2Very low123 Ų123130.2 Ų130.286%0.8679%0.79SS**  177.7148.6106.161.10000113.4
369S36.4Very low40.9Very low121 Ų121128.3 Ų128.385%0.84679%0.79SS**  trans-99.8151.2175.1520000112.7
370S41.7Very low40.6Very low121 Ų121129.4 Ų129.485%0.84679%0.792SS**  trans-151.5143.7154.6-162.60000112.8
371L38.4Very low40.3Very low159 Ų159128.5 Ų128.583%0.83279%0.793SS**  trans-96.9157.9167.8-92.5153.5000109.9
372S51.4Low39.9Very low117 Ų117128 Ų12882%0.81879%0.789SS**  trans-148.3120.6166.4-57.80000110.6
373D37.1Very low39.6Very low155 Ų155131.4 Ų131.483%0.82980%0.8SS**  trans-81.4148.5166.1-62.8-70.3000111
374E45.6Very low39.3Very low194 Ų194135.1 Ų135.191%0.90781%0.806SS**  trans-162153.4134.9-126.8-175.4118.100114.1
375L37Very low38.9Very low160 Ų160138.8 Ų138.884%0.83881%0.812SS**  trans-117.4132.9-172.4-70.2159.8000111.6
376K45Very low38.4Very low190 Ų190142.2 Ų142.283%0.82682%0.818SS**  trans-158.3101.7155.2-14176.2173.7-162.60116.9
377C33.2Very low37.9Very low114 Ų114147 Ų14777%0.7783%0.826SS**  trans54155.4134.3-55.40000123.6
378P38.7Very low37.5Very low111 Ų111148.6 Ų148.672%0.72183%0.825SS**  trans-118.4174.1-15942.6-30.4000115.8
379V37.5Very low37.2Very low140 Ų140151.6 Ų151.685%0.84882%0.823SS**  trans-127.7132.5161.2173.70000109.7
380V35.3Very low36.9Very low124 Ų124150.6 Ų150.675%0.75282%0.816SS**  trans-105.4127.9177173.50000109.5
381T36.5Very low36.9Very low136 Ų136151.1 Ų151.183%0.83482%0.817SS**  trans-141.8119.3152.633.30000109
382S32.3Very low36.6Very low101 Ų101149 Ų14971%0.70681%0.811SS**  trans-72.4142.8177.8480000112.4
383N34.4Very low35.6Very low169 Ų169150.3 Ų150.390%0.90481%0.808SS**  trans-157.8119.3144.2-93.2-30.8000109
384E35.1Very low35.4Very low183 Ų183151 Ų15186%0.85581%0.811SS**  trans-75.7135.2172.5-66.1173105.100110.4
385Q33.6Very low34.8Very low180 Ų180146 Ų14684%0.84180%0.802SS**  -179.1134121.6-97.5164.541.700112.3
386M32.6Very low34.4Very low180 Ų180144 Ų14489%0.88780%0.796SS**  trans65.187.9152.4-56.1-86.3-96.200117.4
387K33.3Very low33.7Very low201 Ų201146 Ų14687%0.87480%0.8SS**  trans-91171.6161.2-149.2176.3-173.2-178.20109.7
388L31.4Very low33.8Very low141 Ų141147 Ų14774%0.73880%0.799SS**  trans91.1127.1-177.6-54.4171.7000113.6
389F34.2Very low33.4Very low187 Ų187149 Ų14982%0.8280%0.803SS**  cis-134.6149.80.8-83.4-87.2000111.1
390S30.1Very low33.3Very low100 Ų100151.8 Ų151.870%0.69980%0.804SS**  trans-111.1123.1162.551.80000109.2T392S390-T392 PolarHBondContact O-N 2.93Å
391P42.2Very low33.3Very low131 Ų131151.4 Ų151.485%0.85181%0.807SS**  trans-81.6114.3171.6-0.217.9000109.6
392T32.8Very low33.1Very low115 Ų115149.6 Ų149.671%0.70680%0.799SS**  trans-131.7161.1159.6-46.80000106.5S390S390-T392 PolarHBondContact O-N 2.93Å
393D30.4Very low33.2Very low144 Ų144150.8 Ų150.877%0.7780%0.803SS**  trans79.2104.8-176.2-48.5-29.1000115.5
394I32.3Very low33Very low171 Ų171150.4 Ų150.488%0.87780%0.801SS**  -167131107-92.7155.4000110.9
395A32.2Very low32.5Very low89 Ų89146.6 Ų146.674%0.73679%0.793SS**  trans57.689.3157.800000120.4
396T29.8Very low32.3Very low116 Ų116149.8 Ų149.871%0.71280%0.799SS**  trans-57.5128.4144.4-48.50000110.6
397Y29.5Very low32.1Very low232 Ų232147.4 Ų147.491%0.9179%0.79SS**  trans-128.1110.2157.9-138.7-90.6000108.9
398N34.8Very low32.3Very low137 Ų137145.8 Ų145.873%0.73378%0.783SS**  trans-85145-169.8-92.5-36.9000112.8
399N30.7Very low32.4Very low153 Ų153146 Ų14682%0.81878%0.784SS**  trans-54.2142.5168.8-70-57.8000112.7
400K35.7Very low32.7Very low197 Ų197143.5 Ų143.586%0.85778%0.778SS**  trans-171.2130.7143.6-107.2159.2-171.4-178.60111.6
401S34.5Very low32.8Very low116 Ų116146.6 Ų146.681%0.81178%0.781SS**  trans68.6144.4160.5-49.10000116.7
402S32.6Very low32.3Very low98 Ų98145.8 Ų145.869%0.68578%0.776SS**  cis-168.1141.3-7.642.20000110.7
403T36.3Very low32.4Very low127 Ų127147.2 Ų147.278%0.77979%0.785SS**  trans45.7118.6145.959.10000121.8
404N28.5Very low32.5Very low160 Ų160148.2 Ų148.286%0.85679%0.789SS**  trans25.3121.6134.2-75.5-18.9000120
405C25.6Very low32.5Very low103 Ų103148.3 Ų148.370%0.69679%0.79SS**  158.5117.5108.8-179.70000110.3
406Y28.7Very low32.3Very low247 Ų247150.5 Ų150.597%0.96979%0.79SS**  trans-148.6106.5146.3-80.3-62.3000110.2
407D28.9Very low32.7Very low130 Ų130152.7 Ų152.770%0.69579%0.792SS**  trans-124.2153.7158.9-170.210.4000107
408K36.9Very low33Very low168 Ų168148.4 Ų148.473%0.7378%0.78SS**  trans66.8106.3170.1-63-173.9-177.8-178.30119.3
409I34.1Very low32.6Very low146 Ų146148.5 Ų148.575%0.74978%0.781SS**  164.6140.895.1-93.3144.2000114.2
410L39.2Very low32.7Very low133 Ų133146.8 Ų146.870%0.69678%0.781SS**  trans-15.5161.9159.5-62.387.1000119.2
411Q32.7Very low32.3Very low166 Ų166145.2 Ų145.278%0.77678%0.781SS**  cis-165.4170.8-13.2-110-165.739.700107.6
412P32.6Very low32.3Very low113 Ų113146.9 Ų146.973%0.73478%0.779SS**  trans-90.3152.8-168.835.8-35.7000115.1
413T35Very low32.2Very low145 Ų145147.6 Ų147.689%0.8978%0.781SS**  trans-119.7130.9165.838.80000111.9
414L31.4Very low31.9Very low165 Ų165150.5 Ų150.586%0.86479%0.786SS**  trans-78.1145.3175.9-76.5161.3000111.5
415L32.1Very low32Very low173 Ų173148.4 Ų148.491%0.90678%0.784SS**  trans-150.5107.4151.6-113.4160.3000110.5
416N29.2Very low32.2Very low136 Ų136148.4 Ų148.473%0.72778%0.783SS**  trans-70.7142.1170.1-80.5-30.8000110.2
417H36.7Very low32.1Very low162 Ų162144.2 Ų144.275%0.7578%0.778SS**  trans-159.5113.8130.5-112.567000113.7
418Q35.8Very low32.2Very low141 Ų141143.4 Ų143.466%0.65977%0.772SS**  trans54.7117.2143.1-58.3-163.539.500122.6
419N28.4Very low31.9Very low140 Ų140142.1 Ų142.175%0.74977%0.773SS**  59.8100.5126.8-55.4-19.1000120.3
420S30.8Very low31.9Very low117 Ų117141.9 Ų141.982%0.81877%0.767SS**  -161146.2113.1-164.30000111.6
421L29.2Very low31.7Very low163 Ų163142 Ų14285%0.85377%0.769SS**  trans-84.9134-179.1-71.376.8000111
422I32.8Very low32.1Very low151 Ų151137 Ų13777%0.77475%0.75SS**  trans-135.3122.6155.3-56.6-178.9000108.2
423P31.8Very low32.3Very low113 Ų113137.4 Ų137.473%0.73475%0.751SS**  trans-78.6132.2-177.630.4-33.5000112.1S425P423-S425 PolarHBondContact O-N 3.47Å
424H30.2Very low32.5Very low189 Ų189136.5 Ų136.588%0.87574%0.74SS**  trans-71.594.2172.5-73.1-77.4000111.6
425S29.4Very low32.9Very low116 Ų116133.6 Ų133.681%0.81172%0.723SS**  trans-145.967.7168.6-75.40000111.6P423P423-S425 PolarHBondContact O-N 3.47Å
426C30Very low32.9Very low102 Ų102131.8 Ų131.869%0.68971%0.714SS**  trans-99.187.8166.148.20000110.4I428C426-I428 HydrophobicContact CB-CG1 4.25Å; C426-I428 PolarHBondContact O-N 2.98Å; C426-I428 VanDerWaalsContact O-N 3.09Å
427N27.1Very low33.3Very low159 Ų159130.3 Ų130.385%0.8570%0.702SS**  trans-68.3101.5157.3-85.4-23.4000107.4D429N427-D429 PolarHBondContact O-N 3.31Å
428I31.6Very low33Very low114 Ų114129.8 Ų129.859%0.58570%0.699SS**  trans-90.393.1172.2-51.6175.1000107.2C426 F430C426-I428 HydrophobicContact CB-CG1 4.25Å; C426-I428 PolarHBondContact O-N 2.98Å; C426-I428 VanDerWaalsContact O-N 3.09Å; I428-F430 VanDerWaalsContact C-N 3.31Å; I428-F430 HydrophobicContact CB-CD2 4.22Å; I428-F430 HydrophobicContact CB-CE2 4.14Å; I428-F430 HydrophobicContact CG2-CD2 3.58Å; I428-F430 HydrophobicContact CG2-CE2 3.4Å; I428-F430 HydrophobicContact CG2-CG 4.34Å; I428-F430 HydrophobicContact CG2-CZ 4.02Å; I428-F430 PolarHBondContact O-N 2.93Å
429D29.8Very low32.8Very low141 Ų141130.1 Ų130.175%0.75471%0.706SS**  trans-6989171.4-83-39.9000109.8N427 N431N427-D429 PolarHBondContact O-N 3.31Å; D429-N431 VanDerWaalsContact C-N 3.29Å; D429-N431 PolarHBondContact O-N 3.43Å
430F34.5Very low32.8Very low140 Ų140133.7 Ų133.761%0.61471%0.71SS**  trans-72.283.6170.4-86.4-78.8000110.3H247 I428 P432H247-F430 PolarHBondContact CD2-O 3.22Å; H247-F430 PolarHBondContact NE2-O 2.91Å; I428-F430 VanDerWaalsContact C-N 3.31Å; I428-F430 HydrophobicContact CB-CD2 4.22Å; I428-F430 HydrophobicContact CB-CE2 4.14Å; I428-F430 HydrophobicContact CG2-CD2 3.58Å; I428-F430 HydrophobicContact CG2-CE2 3.4Å; I428-F430 HydrophobicContact CG2-CG 4.34Å; I428-F430 HydrophobicContact CG2-CZ 4.02Å; I428-F430 PolarHBondContact O-N 2.93Å; F430-P432 WeakPolarHBondContact O-CD 3.45Å
431N34.5Very low32.9Very low136 Ų136135.6 Ų135.673%0.72771%0.711SS**  trans-59.7126.1164.2-83.3-58.8000109.5D429 V433D429-N431 VanDerWaalsContact C-N 3.29Å; D429-N431 PolarHBondContact O-N 3.43Å; N431-V433 PolarHBondContact O-N 2.99Å
432P41.1Very low33Very low61 Ų61132.3 Ų132.340%0.39670%0.702SS.*  trans-67.3109.7171.827.5-32.3000108.6F430 L434F430-P432 WeakPolarHBondContact O-CD 3.45Å; P432-L434 VanDerWaalsContact C-N 3.34Å; P432-L434 PolarHBondContact O-N 3.42Å
433V37.6Very low33Very low122 Ų122132.3 Ų132.374%0.73970%0.703SS**  trans-67.796.5170.7178.10000107.8N431 M435N431-V433 PolarHBondContact O-N 2.99Å; V433-M435 PolarHBondContact O-N 2.92Å
434L38.8Very low33.1Very low126 Ų126132.1 Ų132.166%0.6671%0.705SS**  trans-62.4105.5161.8-112.7160.9000107.1P432 N436P432-L434 VanDerWaalsContact C-N 3.34Å; P432-L434 PolarHBondContact O-N 3.42Å; L434-N436 PolarHBondContact O-N 3.42Å
435M38.9Very low33.3Very low104 Ų104127.9 Ų127.951%0.51270%0.697SS.*  trans-65.1102170.5-85.7-16515500108.7T282 V433 F437T282-M435 HydrophobicContact CG2-CE 4.28Å; V433-M435 PolarHBondContact O-N 2.92Å; M435-F437 VanDerWaalsContact C-N 3.28Å; M435-F437 HydrophobicContact CB-CD2 3.93Å; M435-F437 HydrophobicContact CB-CE2 3.61Å; M435-F437 HydrophobicContact CB-CZ 4.27Å; M435-F437 HydrophobicContact CG-CE2 4.41Å; M435-F437 WeakPolarHBondContact O-CD2 3.23Å; M435-F437 PolarHBondContact O-N 3.09Å; M435-F437 HydrophobicContact SD-CE2 3.95Å; M435-F437 HydrophobicContact SD-CZ 3.75Å
436N32.7Very low33.5Very low134 Ų134129.6 Ų129.672%0.71770%0.696SS**  trans-6688168-88.6-11.7000109.3L434 Q438L434-N436 PolarHBondContact O-N 3.42Å; N436-Q438 PolarHBondContact O-N 3.11Å
437F36.9Very low33.9Very low106 Ų106131.6 Ų131.647%0.46570%0.699SS.*  trans-74.771.2166-73.7-76.1000110.1P285 M435 N439P285-F437 HydrophobicContact CG-CD2 4.19Å; P285-F437 HydrophobicContact CG-CE2 4.23Å; P285-F437 HydrophobicContact CG-CG 4.36Å; P285-F437 HydrophobicContact CG-CZ 4.46Å; M435-F437 VanDerWaalsContact C-N 3.28Å; M435-F437 HydrophobicContact CB-CD2 3.93Å; M435-F437 HydrophobicContact CB-CE2 3.61Å; M435-F437 HydrophobicContact CB-CZ 4.27Å; M435-F437 HydrophobicContact CG-CE2 4.41Å; M435-F437 WeakPolarHBondContact O-CD2 3.23Å; M435-F437 PolarHBondContact O-N 3.09Å; M435-F437 HydrophobicContact SD-CE2 3.95Å; M435-F437 HydrophobicContact SD-CZ 3.75Å; F437-N439 VanDerWaalsContact C-N 3.29Å; F437-N439 PolarHBondContact O-N 2.96Å
438Q32.2Very low34.4Very low150 Ų150130.7 Ų130.770%0.70169%0.694SS**  trans-74.787.6165.9-76.9-179.3-56.600108.9N436 Y440N436-Q438 PolarHBondContact O-N 3.11Å; Q438-Y440 PolarHBondContact O-N 3.08Å
439N30.6Very low34.6Very low149 Ų149131 Ų13180%0.79770%0.704SS**  trans-75.9105.5172.7-154.63.7000108.5F437 N441F437-N439 VanDerWaalsContact C-N 3.29Å; F437-N439 PolarHBondContact O-N 2.96Å; N439-N441 PolarHBondContact O-N 3.42Å; N439-N441 VanDerWaalsContact O-N 3.1Å
440Y28.9Very low35Very low215 Ų215130.2 Ų130.284%0.84371%0.709SS**  trans-66.5107.5173.5-86.2-95.2000109.1Q438Q438-Y440 PolarHBondContact O-N 3.08Å
441N33.1Very low34.9Very low156 Ų156128.9 Ų128.983%0.83471%0.713SS**  trans-136.9130.1160.8-136.8-8.7000109.8N439N439-N441 PolarHBondContact O-N 3.42Å; N439-N441 VanDerWaalsContact O-N 3.1Å
442S30.1Very low35Very low95 Ų95129.7 Ų129.766%0.66472%0.715SS**  trans-79.1155.3-165.2-54.30000112.9
443N33.9Very low34.4Very low150 Ų150134.9 Ų134.980%0.80273%0.732SS**  trans100143.6158-49.7-35.3000118.7
444S33.2Very low34.2Very low110 Ų110139 Ų13977%0.76974%0.735SS**  trans69.883.216747.40000120.4
445S34.5Very low33.9Very low100 Ų100138 Ų13870%0.69974%0.737SS**  57.8120.7116.861.20000122.8
446L34.6Very low33.5Very low152 Ų152141.3 Ų141.380%0.79676%0.756SS**  trans73.791.6134.5-65.8169.4000119.7
447L38.3Very low33.7Very low144 Ų144139.9 Ų139.975%0.75476%0.757SS**  161.3133.499.5-87.4152.1000114.2
448N37.3Very low33.4Very low140 Ų140141.7 Ų141.775%0.74977%0.77SS**  trans61106.4155.7-58.7-16.3000121.5
449P35.9Very low33.3Very low121 Ų121140 Ų14079%0.78677%0.77SS**  trans-100.8125.1153.934.3-25.4000111.9T451P449-T451 PolarHBondContact O-N 3.12Å
450S38.5Very low33.2Very low124 Ų124140 Ų14087%0.86777%0.77SS**  trans-82.3106.6170.1-63.80000111.2I452S450-I452 PolarHBondContact O-N 2.97Å
451T31.6Very low33Very low112 Ų112141.8 Ų141.869%0.68778%0.776SS**  trans-52.6126.4177.2-54.90000114P449 F453P449-T451 PolarHBondContact O-N 3.12Å; T451-F453 HydrophobicContact CG2-CD2 3.72Å; T451-F453 HydrophobicContact CG2-CE2 4.25Å
452I36.9Very low32.9Very low152 Ų152141.8 Ų141.878%0.77978%0.775SS**  trans-125110.8153.2-63.2-176.9000108.6S450 Y454S450-I452 PolarHBondContact O-N 2.97Å; I452-Y454 HydrophobicContact CG2-CD2 4.3Å; I452-Y454 HydrophobicContact CG2-CE2 4.18Å
453F28.6Very low32.8Very low170 Ų170146.3 Ų146.375%0.74679%0.786SS**  trans-70.5134.4172.8-107.4-108.2000110.9T451T451-F453 HydrophobicContact CG2-CD2 3.72Å; T451-F453 HydrophobicContact CG2-CE2 4.25Å
454Y32.7Very low32.8Very low208 Ų208144.6 Ų144.682%0.81679%0.786SS**  trans-141.3135141.7-83.8-71.4000109.9I452I452-Y454 HydrophobicContact CG2-CD2 4.3Å; I452-Y454 HydrophobicContact CG2-CE2 4.18Å
455P33.5Very low32.6Very low107 Ų107147.4 Ų147.470%0.69579%0.793SS**  trans-86.4131.9-168.232.7-34000112.9
456N28.8Very low32.5Very low172 Ų172149.8 Ų149.892%0.9280%0.797SS**  trans-104.2115.5159-77.9-20000108.8
457S37.1Very low32.2Very low105 Ų105150 Ų15073%0.73480%0.798SS**  trans-154.393.8167.7-177.10000105.8
458I30.5Very low31.8Very low144 Ų144151.5 Ų151.574%0.73880%0.804SS**  70.2130.181.1-131.8174.1000112.9
459T31.3Very low31.4Very low114 Ų114149 Ų14970%0.69980%0.798SS**  trans49.2108.4166.851.60000119.5
460D27.7Very low31.1Very low148 Ų148148.3 Ų148.379%0.79179%0.793SS**  -172.8109.3104.3-96.7-17000111.7
461W25.6Very low30.7Very low254 Ų254151 Ų15196%0.96280%0.796SS**  trans-141.569.3168.6-94.980.3000109.6
462N29.8Very low30.6Very low155 Ų155149.3 Ų149.383%0.82979%0.786SS**  trans-161.8148.9156.9-98.4-44.2000109.5
463Q28.5Very low30.2Very low190 Ų190147.8 Ų147.889%0.88879%0.789SS**  trans75.267.5177.6-48.1-171.719.900117.9
464S33.1Very low30.1Very low115 Ų115148.9 Ų148.980%0.80479%0.789SS**  trans-152.990.6131.851.10000111.9L466S464-L466 PolarHBondContact O-N 3.28Å
465N30.4Very low30Very low169 Ų169147.3 Ų147.390%0.90479%0.789SS**  trans-61.1120156.3-83.3-31.4000108.1
466L31.6Very low29.8Very low150 Ų150146.9 Ų146.979%0.78579%0.789SS**  trans-16587.5155.7-106.2163.8000110.6S464S464-L466 PolarHBondContact O-N 3.28Å
467L28.6Very low30Very low157 Ų157146.5 Ų146.582%0.82279%0.787SS**  trans37.292149-64.1161.4000117.7
468I28.8Very low29.8Very low174 Ų174148.1 Ų148.189%0.89279%0.787SS**  trans-90.2109.4149.5-62.4177.6000107.3
469S30.5Very low29.9Very low88 Ų88148 Ų14862%0.61579%0.793SS**  trans-58.6149.9-178.8-46.20000112.5
470P29Very low30.1Very low106 Ų106149.8 Ų149.869%0.68879%0.793SS**  trans-62.2152.316928.7-34.5000110.5T472P470-T472 HydrophobicContact CG-CG2 4.41Å; P470-T472 PolarHBondContact O-N 3.35Å
471I30Very low30.4Very low180 Ų180150.3 Ų150.392%0.92380%0.796SS**  trans-66.794.9177-59.1170000108.6
472T29Very low30.9Very low78 Ų78145.8 Ų145.848%0.47978%0.783SS.*  trans-97.1127.4176.441.20000110.4P470 Y474P470-T472 HydrophobicContact CG-CG2 4.41Å; P470-T472 PolarHBondContact O-N 3.35Å; T472-Y474 VanDerWaalsContact CB-CE2 3.46Å; T472-Y474 HydrophobicContact CG2-CE2 4.2Å; T472-Y474 PolarHBondContact O-N 3Å; T472-Y474 VanDerWaalsContact OG1-CE2 3.31Å; T472-Y474 WeakPolarHBondContact OG1-CE2 3.18Å
473S28.3Very low31.3Very low120 Ų120145.8 Ų145.884%0.83978%0.783SS**  trans-65.2110.5165.8-65.70000109.8
474Y28.1Very low31.5Very low192 Ų192143.8 Ų143.875%0.75378%0.778SS**  trans-124.198160.4-71-73.9000105.9T472T472-Y474 VanDerWaalsContact CB-CE2 3.46Å; T472-Y474 HydrophobicContact CG2-CE2 4.2Å; T472-Y474 PolarHBondContact O-N 3Å; T472-Y474 VanDerWaalsContact OG1-CE2 3.31Å; T472-Y474 WeakPolarHBondContact OG1-CE2 3.18Å
475H29.9Very low31.6Very low175 Ų175145.8 Ų145.881%0.8178%0.78SS**  66.5123.176.6-149.763.3000111.7
476S29.2Very low31.8Very low99 Ų99144 Ų14469%0.69278%0.778SS**  trans-78.1121.8-166.8-47.30000111.6
477D33.7Very low31.9Very low163 Ų163141.5 Ų141.587%0.87277%0.773SS**  trans-92.1112.7159.8-81.3-39.5000110.1
478N31.4Very low32.4Very low139 Ų139142 Ų14274%0.74377%0.773SS**  trans-68.9126.6170.5-73.5-69.2000109.7
479V34.3Very low32.7Very low142 Ų142142.5 Ų142.586%0.86177%0.771SS**  trans-121.5109.2141.4-178.50000106.9D481V479-D481 PolarHBondContact O-N 3.4Å
480H33.8Very low33Very low151 Ų151144.5 Ų144.570%0.69978%0.775SS**  trans-57.3128.5166-88.3-47.9000108.8
481D35.3Very low33.7Very low160 Ų160144.3 Ų144.386%0.85677%0.772SS**  trans-133.8135.8132.8-135.9-23.7000111.2V479V479-D481 PolarHBondContact O-N 3.4Å
482K35.3Very low34.2Very low159 Ų159141.5 Ų141.569%0.69176%0.759SS**  trans-94117.2-165.1-65.5166.8-179.7169.80108.9
483N39.1Very low34.9Very low155 Ų155142.2 Ų142.283%0.82976%0.763SS**  trans-158.889.3156.1-94.2-40.4000113
484N32.1Very low35.7Very low147 Ų147140.6 Ų140.679%0.78675%0.745SS**  trans21.6103.3145.8-60-24.2000119
485N35.8Very low36.7Very low158 Ų158135.6 Ų135.685%0.84573%0.73SS**  trans-161.3115.7141.2-108.1-44.2000111.5S487N485-S487 PolarHBondContact O-N 2.96Å
486P33.8Very low37.6Very low132 Ų132132.7 Ų132.786%0.85772%0.721SS**  trans-90.378.3-174.235.2-34.1000112.3
487S34.3Very low38.9Very low97 Ų97133.8 Ų133.868%0.67872%0.715SS**  trans-162.7153.4167-153.10000113N485N485-S487 PolarHBondContact O-N 2.96Å
488M38.2Very low40Very low166 Ų166129.2 Ų129.282%0.81869%0.69SS**SBendtrans73.227164.4-54.9-61.8-166.500120.3
489H35.8Very low41.7Very low186 Ų186127.1 Ų127.186%0.86168%0.678SS**  trans-127.283.3164.2-95.418.2000112.4
490N37.6Very low43.3Very low130 Ų130125.6 Ų125.670%0.69566%0.661SS**  trans-155.412.2165.7-121.2-8.8000115.2
491T43.7Very low45.1Very low101 Ų101123.6 Ų123.662%0.6266%0.656SS**Hα-helixtrans-92.1-30.3-175.747.30000114.1I495T491-I495 VanDerWaalsContact O-CD1 3.3Å; T491-I495 WeakPolarHBondContact O-CD1 3.32Å; T491-I495 VanDerWaalsContact O-CG1 3.27Å; T491-I495 WeakPolarHBondContact O-CG1 3.29Å
492N39Very low46.8Very low122 Ų122124 Ų12465%0.65265%0.646SS**Hα-helixtrans-84.3-33.7-175.7-78.4-14.5000114.3I495N492-I495 PolarHBondContact O-N 2.72Å
493V45.6Very low48.6Very low93 Ų93121.4 Ų121.456%0.56464%0.637SS**Hα-helixtrans-66.2-44.2175.9-178.40000110.3I495 N496 E497V493-I495 PolarHBondContact O-N 3.02Å; V493-N496 PolarHBondContact O-N 3.5Å; V493-E497 PolarHBondContact O-N 3.42Å
494N44Very low50.3Low86 Ų86118.9 Ų118.946%0.4662%0.62SS.*Hα-helixtrans-64.9-23-179.7-158.1-31.9000113.3N498N494-N498 VanDerWaalsContact O-CB 3.32Å; N494-N498 WeakPolarHBondContact O-CB 3.29Å; N494-N498 PolarHBondContact O-N 2.94Å; N494-N498 VanDerWaalsContact O-N 3.13Å; N494-N498 PolarHBondContact O-ND2 2.92Å; N494-N498 PolarHBondContact OD1-ND2 3.12Å
495I48.9Very low52.4Low87 Ų87116 Ų11645%0.44661%0.608SS.*Hα-helixtrans-71.3-44174.5-72163000110.9T491 N492 V493 N498 I499T491-I495 VanDerWaalsContact O-CD1 3.3Å; T491-I495 WeakPolarHBondContact O-CD1 3.32Å; T491-I495 VanDerWaalsContact O-CG1 3.27Å; T491-I495 WeakPolarHBondContact O-CG1 3.29Å; N492-I495 PolarHBondContact O-N 2.72Å; V493-I495 PolarHBondContact O-N 3.02Å; I495-N498 PolarHBondContact O-N 2.86Å; I495-I499 HydrophobicContact CG2-CD1 3.86Å; I495-I499 VanDerWaalsContact O-CG1 3.31Å; I495-I499 WeakPolarHBondContact O-CG1 3.47Å; I495-I499 PolarHBondContact O-N 3.35Å
496N48.5Very low54.4Low114 Ų114114.2 Ų114.261%0.6159%0.593SS**Hα-helixtrans-71.5-39.9-178-69.2-8.5000111.8V493 N498 I499 H500V493-N496 PolarHBondContact O-N 3.5Å; N496-N498 VanDerWaalsContact C-N 3.34Å; N496-N498 PolarHBondContact O-N 2.98Å; N496-I499 PolarHBondContact O-N 3.02Å; N496-H500 PolarHBondContact O-N 3.15Å; N496-H500 VanDerWaalsContact O-N 3.11Å
497E57.8Low56.5Low122 Ų122112.1 Ų112.157%0.5757%0.574SS**Hα-helixtrans-63.4-37.8172.4-69.6-178.8143.400112.4V493 N501V493-E497 PolarHBondContact O-N 3.42Å; E497-N501 WeakPolarHBondContact O-CB 3.41Å; E497-N501 PolarHBondContact O-N 3.27Å
498N55.7Low58.3Low67 Ų67113.6 Ų113.636%0.35857%0.57SS.*Hα-helixtrans-64.9-45.4173.2-92.6-74000112.1N494 I495 N496 H500 N501 Y502N494-N498 VanDerWaalsContact O-CB 3.32Å; N494-N498 WeakPolarHBondContact O-CB 3.29Å; N494-N498 PolarHBondContact O-N 2.94Å; N494-N498 VanDerWaalsContact O-N 3.13Å; N494-N498 PolarHBondContact O-ND2 2.92Å; N494-N498 PolarHBondContact OD1-ND2 3.12Å; I495-N498 PolarHBondContact O-N 2.86Å; N496-N498 VanDerWaalsContact C-N 3.34Å; N496-N498 PolarHBondContact O-N 2.98Å; N498-H500 VanDerWaalsContact C-N 3.3Å; N498-H500 PolarHBondContact O-N 3.04Å; N498-N501 PolarHBondContact O-N 3.3Å; N498-Y502 HydrophobicContact CB-CD2 4.49Å; N498-Y502 WeakPolarHBondContact O-CD2 3.29Å; N498-Y502 PolarHBondContact O-N 2.98Å
499I66.9Low59.7Low94 Ų94111.3 Ų111.348%0.48256%0.559SS.*Hα-helixtrans-57.1-46.9179.3-71.3163.8000110.2I495 N496 Y502 E503I495-I499 HydrophobicContact CG2-CD1 3.86Å; I495-I499 VanDerWaalsContact O-CG1 3.31Å; I495-I499 WeakPolarHBondContact O-CG1 3.47Å; I495-I499 PolarHBondContact O-N 3.35Å; N496-I499 PolarHBondContact O-N 3.02Å; I499-Y502 PolarHBondContact O-N 3.32Å; I499-E503 PolarHBondContact O-N 3.21Å
500H68.3Low61.4Low110 Ų110107.9 Ų107.951%0.50955%0.545SS..Hα-helixtrans-69-37.1-178.6-147.444.8000112.6N496 N498 Y502 E503 Q504N496-H500 PolarHBondContact O-N 3.15Å; N496-H500 VanDerWaalsContact O-N 3.11Å; N498-H500 VanDerWaalsContact C-N 3.3Å; N498-H500 PolarHBondContact O-N 3.04Å; H500-Y502 PolarHBondContact O-N 3.38Å; H500-E503 IonicContact ND1-OE2 3.32Å; H500-E503 PolarHBondContact ND1-OE2 3.3Å; H500-E503 PolarHBondContact O-N 2.89Å; H500-Q504 VanDerWaalsContact O-CG 3.3Å; H500-Q504 WeakPolarHBondContact O-CG 3.42Å; H500-Q504 PolarHBondContact O-N 3.01Å
501N71.2Confident62.7Low110 Ų110108 Ų10859%0.58855%0.546SS*.Hα-helixtrans-63.8-37171.1-89.8-34.6000113E497 N498 T505E497-N501 WeakPolarHBondContact O-CB 3.41Å; E497-N501 PolarHBondContact O-N 3.27Å; N498-N501 PolarHBondContact O-N 3.3Å; N501-T505 WeakPolarHBondContact O-CB 3.31Å; N501-T505 PolarHBondContact O-N 3Å; N501-T505 PolarHBondContact O-OG1 3.45Å
502Y71.6Confident63.3Low167 Ų167110.9 Ų110.966%0.65555%0.549SS*.Hα-helixtrans-68.8-40.4175.6-86.1-68.1000112.1N498 I499 H500 F506N498-Y502 HydrophobicContact CB-CD2 4.49Å; N498-Y502 WeakPolarHBondContact O-CD2 3.29Å; N498-Y502 PolarHBondContact O-N 2.98Å; I499-Y502 PolarHBondContact O-N 3.32Å; H500-Y502 PolarHBondContact O-N 3.38Å; Y502-F506 VanDerWaalsContact O-CB 3.29Å; Y502-F506 WeakPolarHBondContact O-CB 3.49Å; Y502-F506 PolarHBondContact O-N 3.48Å
503E72.6Confident63.7Low105 Ų105109.5 Ų109.549%0.49155%0.549SS..Hα-helixtrans-60.5-50172.9-77.5-174.3131.300111.8I499 H500 T505 F506 L507I499-E503 PolarHBondContact O-N 3.21Å; H500-E503 IonicContact ND1-OE2 3.32Å; H500-E503 PolarHBondContact ND1-OE2 3.3Å; H500-E503 PolarHBondContact O-N 2.89Å; E503-T505 VanDerWaalsContact C-N 3.34Å; E503-T505 PolarHBondContact O-N 3.39Å; E503-F506 PolarHBondContact O-N 3.23Å; E503-F506 VanDerWaalsContact O-N 3.15Å; E503-L507 WeakPolarHBondContact O-CB 3.38Å; E503-L507 PolarHBondContact O-N 3.49Å
504Q75.3Confident63.6Low102 Ų102113.4 Ų113.448%0.47756%0.562SS.*Hα-helixtrans-63.8-39.3-179.5-65.9-67.54.900112H500 F506 Q508H500-Q504 VanDerWaalsContact O-CG 3.3Å; H500-Q504 WeakPolarHBondContact O-CG 3.42Å; H500-Q504 PolarHBondContact O-N 3.01Å; Q504-F506 VanDerWaalsContact C-N 3.35Å; Q504-F506 PolarHBondContact O-N 2.87Å; Q504-Q508 VanDerWaalsContact O-CB 3.29Å; Q504-Q508 WeakPolarHBondContact O-CB 3.32Å; Q504-Q508 PolarHBondContact O-N 3.03Å
505T75.5Confident63.6Low87 Ų87122.6 Ų122.653%0.53460%0.598SS.*Hα-helixtrans-64.6-39.4174.4-55.70000111.5N501 E503 M509N501-T505 WeakPolarHBondContact O-CB 3.31Å; N501-T505 PolarHBondContact O-N 3Å; N501-T505 PolarHBondContact O-OG1 3.45Å; E503-T505 VanDerWaalsContact C-N 3.34Å; E503-T505 PolarHBondContact O-N 3.39Å; T505-M509 WeakPolarHBondContact O-CB 3.3Å; T505-M509 PolarHBondContact O-N 3.32Å
506F78Confident64.4Low121 Ų121124.4 Ų124.453%0.53161%0.605SS.*Hα-helixtrans-67.8-46.4177.6-177.4-99.6000112Y502 E503 Q504 Q508 M509 M510Y502-F506 VanDerWaalsContact O-CB 3.29Å; Y502-F506 WeakPolarHBondContact O-CB 3.49Å; Y502-F506 PolarHBondContact O-N 3.48Å; E503-F506 PolarHBondContact O-N 3.23Å; E503-F506 VanDerWaalsContact O-N 3.15Å; Q504-F506 VanDerWaalsContact C-N 3.35Å; Q504-F506 PolarHBondContact O-N 2.87Å; F506-Q508 VanDerWaalsContact C-N 3.34Å; F506-Q508 PolarHBondContact O-N 2.81Å; F506-M509 HydrophobicContact CD2-CE 4.22Å; F506-M509 PolarHBondContact O-N 2.82Å; F506-M510 HydrophobicContact CD1-CG 4.25Å; F506-M510 HydrophobicContact CE1-CG 3.89Å; F506-M510 HydrophobicContact CE2-CG 4.42Å; F506-M510 HydrophobicContact CZ-CG 3.97Å; F506-M510 HydrophobicContact CZ-SD 4.15Å; F506-M510 WeakPolarHBondContact O-CG 3.3Å; F506-M510 PolarHBondContact O-N 3.13Å
507L77.3Confident65.2Low88 Ų88124.9 Ų124.946%0.46161%0.605SS.*Hα-helixtrans-59.9-42.4174.5-81.4155.5000111.9E503 M509 M510 N511E503-L507 WeakPolarHBondContact O-CB 3.38Å; E503-L507 PolarHBondContact O-N 3.49Å; L507-M509 VanDerWaalsContact C-N 3.3Å; L507-M509 PolarHBondContact O-N 3.22Å; L507-M510 PolarHBondContact O-N 3.19Å; L507-N511 WeakPolarHBondContact O-CB 3.27Å; L507-N511 PolarHBondContact O-N 3.36Å
508Q72.5Confident65.6Low127 Ų127125.1 Ų125.159%0.59361%0.607SS**Hα-helixtrans-70.8-24.4177.5-171145.760.800113.5Q504 F506 K512Q504-Q508 VanDerWaalsContact O-CB 3.29Å; Q504-Q508 WeakPolarHBondContact O-CB 3.32Å; Q504-Q508 PolarHBondContact O-N 3.03Å; F506-Q508 VanDerWaalsContact C-N 3.34Å; F506-Q508 PolarHBondContact O-N 2.81Å; Q508-K512 VanDerWaalsContact O-CG 3.29Å; Q508-K512 WeakPolarHBondContact O-CG 3.43Å
509M67.8Low66.2Low119 Ų119128.5 Ų128.559%0.58662%0.622SS**Hα-helixtrans-78.2-41.1172.9-174.6165.55100111.7T505 F506 L507 K512T505-M509 WeakPolarHBondContact O-CB 3.3Å; T505-M509 PolarHBondContact O-N 3.32Å; F506-M509 HydrophobicContact CD2-CE 4.22Å; F506-M509 PolarHBondContact O-N 2.82Å; L507-M509 VanDerWaalsContact C-N 3.3Å; L507-M509 PolarHBondContact O-N 3.22Å; M509-K512 PolarHBondContact O-N 3.11Å
510M72Confident66.1Low113 Ų113130.7 Ų130.756%0.55763%0.631SS**Hα-helixtrans-65.8-44.2175.1-68.8-66.1-70.700111.9F506 L507 K512 S513F506-M510 HydrophobicContact CD1-CG 4.25Å; F506-M510 HydrophobicContact CE1-CG 3.89Å; F506-M510 HydrophobicContact CE2-CG 4.42Å; F506-M510 HydrophobicContact CZ-CG 3.97Å; F506-M510 HydrophobicContact CZ-SD 4.15Å; F506-M510 WeakPolarHBondContact O-CG 3.3Å; F506-M510 PolarHBondContact O-N 3.13Å; L507-M510 PolarHBondContact O-N 3.19Å; M510-K512 PolarHBondContact O-N 3.17Å; M510-S513 WeakPolarHBondContact O-CB 3.31Å; M510-S513 PolarHBondContact O-N 3.2Å
511N64Low66Low134 Ų134132.1 Ų132.172%0.71764%0.639SS**THydrogen-bonded Turntrans-69.9-11.5178.4-73.4-17.3000114.1L507L507-N511 WeakPolarHBondContact O-CB 3.27Å; L507-N511 PolarHBondContact O-N 3.36Å
512K57.9Low65.6Low160 Ų160133.6 Ų133.670%0.69664%0.642SS**THydrogen-bonded Turntrans-93.5-1.9171.4-77.4179.6177.8-177.70113.5Q508 M509 M510Q508-K512 VanDerWaalsContact O-CG 3.29Å; Q508-K512 WeakPolarHBondContact O-CG 3.43Å; M509-K512 PolarHBondContact O-N 3.11Å; M510-K512 PolarHBondContact O-N 3.17Å
513S47.1Very low65.2Low93 Ų93131.1 Ų131.165%0.6564%0.641SS**  trans-102.827.3-173.7-167.10000113.9M510M510-S513 WeakPolarHBondContact O-CB 3.31Å; M510-S513 PolarHBondContact O-N 3.2Å
514Q43.7Very low64.5Low176 Ų176133.3 Ų133.382%0.82265%0.654SS**  trans-97.688.5164-72.4-157.6-2.500110.3
515F43.4Very low63.6Low279 Ų279136.1 Ų136.1100%1.22467%0.67SS**  trans-154.10161.3-100.8-73.1000108.8

Retrieved 515 of 515 residues in 437.9 ms (Link to these results)