A0A060CYH3_MAIZE Loading...

C2C2-GATA transcription factor

AlphaFold DB , UniProt , Accession A0A060CYH3, Species MAIZE (Zea mays, Maize), Gene GATA15, Length 370 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
1M54.3Low55.7Low240 Ų240159.9 Ų159.9100%1.18284%0.839SS**  0159.50-82.6173.3158.600108.5
2S56.3Low55.7Low127 Ų127158.6 Ų158.689%0.88884%0.842SS**  trans67.4139.3-171.9-53.30000114.1
3T62.9Low54.9Low128 Ų128157.3 Ų157.379%0.78584%0.835SS**  trans-123.7152.8-158.840.30000113.2
4V54.5Low54.3Low135 Ų135163.6 Ų163.682%0.81884%0.841SS**  trans-74.9136.7168.3-177.70000109.2
5F63.9Low53.6Low182 Ų182162.1 Ų162.180%0.79884%0.835SS**  trans-111.9106.2168.1-116.1-89.2000109.9
6M53.3Low53.4Low169 Ų169162.1 Ų162.183%0.83383%0.832SS**  trans-96129.2158.5-82.3-159.873.200108.7
7T64.6Low53.1Low136 Ų136162.7 Ų162.783%0.83483%0.831SS**  trans-96.3138.4172.9-28.70000109.9
8Q54.2Low52.3Low165 Ų165158.2 Ų158.277%0.77183%0.831SS**  trans-128112.7-155.4175.4176.814.700113.2
9L47.3Very low51.9Low136 Ų136160.5 Ų160.571%0.71284%0.837SS**  trans63-175.3151.6-85.1168.9000114.8
10P50.3Low51.5Low116 Ų116160.3 Ų160.375%0.75383%0.831SS**  cis-125.7170.49.842.4-26.5000118.4
11R50.9Low51.4Low225 Ų225159.7 Ų159.785%0.84983%0.829SS**  trans-70.3141.1166.7-61.5168.2173.1146-4.7109.9
12T56.2Low50.9Low144 Ų144155.8 Ų155.888%0.88381%0.808SS**  trans-119.4146.9153.850.30000109.1
13L45.4Very low50.2Low142 Ų142153.1 Ų153.174%0.74380%0.801SS**  trans-139.1123.7-163.4-165.8-176.8000108.1L15L13-L15 HydrophobicContact CD2-CD1 3.61Å
14R46Very low49.3Very low246 Ų246155.2 Ų155.293%0.92881%0.807SS**  trans-141.8130.9156.6-80.7-155.1166.3177.8-3.6111.9
15L44.1Very low48.5Very low141 Ų141158 Ų15874%0.73881%0.808SS**  trans-83.2155.2156.1-79.269000108.7L13L13-L15 HydrophobicContact CD2-CD1 3.61Å
16M50.2Low47.9Very low162 Ų162155.2 Ų155.280%0.79881%0.808SS**  trans177127.7133-93.8169.8133.100105.1
17E49.1Very low47.3Very low172 Ų172151.4 Ų151.480%0.80480%0.804SS**  56.3121.877.5-61.4176.712100111.4
18G37.8Very low46.4Very low81 Ų81150.6 Ų150.684%0.83580%0.804SS**  cis142.181-2.700000111.2
19E45.1Very low45.8Very low202 Ų202148.3 Ų148.394%0.94480%0.801SS**  trans-138.8168.9-172.7-159.2152.681.100113.1
20Q43Very low45.7Very low156 Ų156151.4 Ų151.473%0.72981%0.809SS**  trans-148.2106.3-146.3176.2-172.4-30.700113.2
21D50.5Low45.6Very low148 Ų148154.1 Ų154.179%0.79181%0.811SS**  trans-130.3127158.4-87.6-47.6000108.5
22Q42.2Very low45.1Very low158 Ų158150 Ų15074%0.73881%0.811SS**  cis83.3132.943.5-63.6-170.298.500114.3
23G43.6Very low44.8Very low72 Ų72147.9 Ų147.974%0.74281%0.808SS**  trans91.4136.6179.600000114.9
24L42.3Very low44.7Very low172 Ų172150.2 Ų150.290%0.90181%0.812SS**  cis-156.8138.5-20.3-153.470.7000108.3
25F38.9Very low45Very low192 Ų192146 Ų14684%0.84281%0.808SS**  trans-82.5159.6173.4-92.9-93.7000111.3
26P51Low45.6Very low124 Ų124144.1 Ų144.181%0.80580%0.804SS**  -121.8148.9117.835.1-33.2000112.1
27A40.2Very low45.8Very low89 Ų89142.3 Ų142.374%0.73681%0.805SS**  trans-99.8147.6177.400000111.6
28S46.4Very low46.3Very low119 Ų119141 Ų14183%0.83280%0.802SS**  trans-127.194.9162.648.20000109.9F30S28-F30 PolarHBondContact O-N 2.93Å
29T40.6Very low47.1Very low117 Ų117145 Ų14572%0.71880%0.803SS**  trans-62.3124.9175.2-56.70000110.9
30F46.3Very low47.7Very low201 Ų201143.7 Ų143.788%0.88280%0.795SS**  trans-140.1149.9154.3-97-71.9000112.5S28S28-F30 PolarHBondContact O-N 2.93Å
31H47.6Very low47.9Very low173 Ų173141.1 Ų141.180%0.80179%0.791SS**  trans-66.4150.2-157.4-98-123.7000116A33H31-A33 PolarHBondContact O-N 3.25Å
32V40.4Very low47.7Very low138 Ų138142.7 Ų142.784%0.83679%0.792SS**  trans-67.7119156.4175.40000108.9
33A49.4Very low47.8Very low100 Ų100144 Ų14483%0.82680%0.8SS**  trans-111.9146.8159.100000108.5H31H31-A33 PolarHBondContact O-N 3.25Å
34K43.4Very low48Very low191 Ų191148.7 Ų148.783%0.8381%0.806SS**  trans-126.7109.9-165.7172.3-172.4172.1-176.70110.4
35D52.9Low48.5Very low157 Ų157146.5 Ų146.584%0.8480%0.8SS**  trans-174.6169.4169.4-97.4-33.6000109.5
36P57.4Low48.8Very low102 Ų102142.5 Ų142.566%0.66280%0.796SS**  cis-125.3177.1-46.433.8-17000110.6
37P52.9Low49.2Very low124 Ų124142.4 Ų142.481%0.80580%0.795SS**  trans-67.6146.3-178.826.3-35.3000114.2L39P37-L39 PolarHBondContact O-N 2.8Å; P37-L39 VanDerWaalsContact O-N 3.14Å
38I59.9Low49.4Very low146 Ų146144.4 Ų144.475%0.74980%0.798SS**  trans-75.2101.7-175.4-52.6174000110.9F40I38-F40 HydrophobicContact CG2-CE2 4.33Å
39L55.8Low49.6Very low164 Ų164147.1 Ų147.186%0.85980%0.797SS**  trans-71.6125167.5-94.3158000110.7P37 P41P37-L39 PolarHBondContact O-N 2.8Å; P37-L39 VanDerWaalsContact O-N 3.14Å; L39-P41 WeakPolarHBondContact O-CD 3.44Å
40F56.9Low49.8Very low175 Ų175146.9 Ų146.977%0.76880%0.796SS**  trans-95.2110.6173.7-76.1-90.3000110.6I38 F42I38-F40 HydrophobicContact CG2-CE2 4.33Å; F40-F42 PolarHBondContact O-N 2.84Å
41P47.8Very low49.5Very low101 Ų101142.7 Ų142.766%0.65678%0.783SS**  trans-96.448-17039.1-37.3000113.5L39L39-P41 WeakPolarHBondContact O-CD 3.44Å
42F46.4Very low49.3Very low182 Ų182141.6 Ų141.680%0.79878%0.778SS**  trans-133.153.4-174.9-58.9-67.2000114.1F40F40-F42 PolarHBondContact O-N 2.84Å
43M43.2Very low49.5Very low184 Ų184141 Ų14191%0.90677%0.769SS**  trans-132.585.9162.8-76.2-168.268.200110.3
44I47.6Very low49.2Very low171 Ų171144.8 Ų144.888%0.87777%0.77SS**  trans-129.2120.9162.9-61.4-176.7000108
45T52.9Low49.1Very low127 Ų127139.2 Ų139.278%0.77977%0.766SS**PPolyproline II helixtrans-74.8139.1-179.1-49.70000110.7P47T45-P47 VanDerWaalsContact O-CD 3.3Å; T45-P47 WeakPolarHBondContact O-CD 3.49Å
46S45.4Very low48.8Very low108 Ų108140.5 Ų140.576%0.75577%0.767SS**PPolyproline II helixtrans-72.7120.2170.6-52.40000111
47P60.4Low48Very low121 Ų121141.5 Ų141.579%0.78678%0.777SS**PPolyproline II helixtrans-79.8132.7166.632.4-31.3000109.9T45T45-P47 VanDerWaalsContact O-CD 3.3Å; T45-P47 WeakPolarHBondContact O-CD 3.49Å
48V44.7Very low47.8Very low132 Ų132140.3 Ų140.380%0.877%0.772SS**PPolyproline II helixtrans-85.4130.7167.4179.20000107.7V50V48-V50 HydrophobicContact CG1-CG2 4.12Å
49H49.3Very low47.2Very low175 Ų175144.5 Ų144.581%0.8178%0.78SS**  trans-113.7128.3176.6-150.5-73000110.1
50V44.9Very low46.5Very low113 Ų113140.6 Ų140.669%0.68578%0.779SS**  trans-139.3129.7-178.1172.10000108.1V48V48-V50 HydrophobicContact CG1-CG2 4.12Å
51D40Very low46.1Very low113 Ų113138.4 Ų138.460%0.60478%0.775SS**  trans57.9155.8178.8-93.3-94.2000115.9
52Q44.7Very low46.4Very low150 Ų150143 Ų14370%0.70179%0.788SS**  cis-167.1113.747.1-178.195.3113.200112.2
53L43.2Very low46.1Very low124 Ų124142.4 Ų142.465%0.64979%0.787SS**  trans61.7166.3148.8-55.2173.6000123.2
54Q43.2Very low46.2Very low180 Ų180142.2 Ų142.284%0.84179%0.789SS**  trans60.8131.8173.4-88.277.234.400119.2
55G41.3Very low46.1Very low74 Ų74137.3 Ų137.376%0.76378%0.781SS**  trans176.6-13.3170.600000124
56Q46.7Very low45.3Very low184 Ų184140.6 Ų140.686%0.8679%0.787SS**  trans51.7117.4167.5-60.5179.2-6.500121.5
57S40.9Very low45.1Very low123 Ų123144.2 Ų144.286%0.8679%0.792SS**  trans68.6162.9152.981.80000117.9
58S49.6Very low44.2Very low100 Ų100144.5 Ų144.570%0.69979%0.791SS**  cis-148.7160.19.7-160.90000113.7
59Y45.8Very low44Very low234 Ų234145.4 Ų145.492%0.91879%0.79SS**  trans-2.1134.3168.1-81.1-100.1000121.2
60G42.9Very low43.2Very low81 Ų81141.9 Ų141.984%0.83579%0.786SS**  trans179.680.1165.500000113.3
61D47.1Very low42.9Very low130 Ų130145.5 Ų145.570%0.69580%0.795SS**  trans-78.9141.3-177.1177.735000113.8H63D61-H63 PolarHBondContact OD1-N 3.22Å
62Q53.7Low42.9Very low197 Ų197144.1 Ų144.192%0.92179%0.794SS**  trans-160.9105.7145.2-116149.4107.800111.5
63H41.7Very low42.7Very low170 Ų170144.3 Ų144.379%0.78781%0.806SS**  trans-94.1109.4-165.7176.2-80000113.9D61D61-H63 PolarHBondContact OD1-N 3.22Å
64L44.4Very low42.7Very low179 Ų179145 Ų14594%0.93781%0.806SS**  trans-154121163.1-162.866.6000113.9
65G45.1Very low42.4Very low69 Ų69144.4 Ų144.471%0.71180%0.803SS**  trans100.443.1152.400000119.9
66Q36.7Very low42.2Very low196 Ų196150 Ų15092%0.91681%0.807SS**  trans-90.6105.6161.3-83.6-164.310.500112.4
67H40.4Very low41.8Very low184 Ų184146.4 Ų146.485%0.85280%0.797SS**  trans-168.4134.2154.8-119.1-119.3000104.5
68V41.8Very low41.8Very low126 Ų126146.8 Ų146.876%0.76479%0.79SS**  cis-131.8145.316.6177.90000109.9
69L40.2Very low41.5Very low151 Ų151151.5 Ų151.579%0.79179%0.792SS**  trans-84.2144.1171.7-102.3167.4000111.7
70S34.1Very low41.7Very low102 Ų102145.2 Ų145.271%0.71378%0.778SS**  trans42.599.415261.90000119
71E38Very low41.8Very low189 Ų189149.7 Ų149.788%0.88378%0.779SS**  trans-153.9168.4149.9-125.9-178.8123.300113.2
72S40.7Very low41.9Very low83 Ų83151.7 Ų151.758%0.5879%0.788SS**  trans61.575.2171.3-158.70000118.5Q74S72-Q74 VanDerWaalsContact C-N 3.28Å; S72-Q74 PolarHBondContact O-N 3.24Å; S72-Q74 WeakPolarHBondContact OG-CB 3.36Å; S72-Q74 PolarHBondContact OG-N 2.99Å
73T39.2Very low41.4Very low154 Ų154148 Ų14895%0.94578%0.784SS**  trans-81.182.5135-63.70000107.6
74Q43.3Very low41.1Very low139 Ų139143.2 Ų143.265%0.6578%0.781SS**  trans-131.6117.9174.9-64.1-170.66.200113.6S72 F76S72-Q74 VanDerWaalsContact C-N 3.28Å; S72-Q74 PolarHBondContact O-N 3.24Å; S72-Q74 WeakPolarHBondContact OG-CB 3.36Å; S72-Q74 PolarHBondContact OG-N 2.99Å; Q74-F76 PolarHBondContact O-N 3.46Å
75Q37.3Very low41Very low167 Ų167139.9 Ų139.978%0.7877%0.773SS**  trans40.676.7131.9-55.4-175.48.600117.5T77Q75-T77 PolarHBondContact O-N 2.71Å
76F37.8Very low40.8Very low193 Ų193143.7 Ų143.785%0.84677%0.772SS**  trans-76.972.5159.4-156.4-90.1000110.6Q74Q74-F76 PolarHBondContact O-N 3.46Å
77T38.1Very low41.3Very low107 Ų107140.9 Ų140.966%0.65677%0.768SS**  trans-123.358.6173.345.70000110.4Q75 R79Q75-T77 PolarHBondContact O-N 2.71Å; T77-R79 PolarHBondContact O-N 2.93Å
78D40.8Very low41.3Very low131 Ų131140.5 Ų140.570%0.70176%0.764SS**  trans-66.7107.8161.2-103.6-34.5000107.7
79R43.3Very low42Very low199 Ų199139.7 Ų139.775%0.75176%0.762SS**  cis92.5114.738.9-164.9-155.6153.6110.8-2.2111.9T77T77-R79 PolarHBondContact O-N 2.93Å
80T49.1Very low42.3Very low103 Ų103144.1 Ų144.163%0.63277%0.768SS**  trans73.3121.9156.239.20000122
81M44.8Very low43.1Very low174 Ų174150.5 Ų150.586%0.85778%0.776SS**  82.471.7129.4-59.4-95-85.300120
82I50.5Low43.9Very low172 Ų172147.2 Ų147.288%0.88277%0.772SS**  trans-128.3128131.1-63.4-175.9000107.9
83S41.2Very low44.5Very low120 Ų120147.1 Ų147.184%0.83977%0.771SS**  trans-84.5138.4172.3-169.80000109.9
84G37.2Very low45.5Very low69 Ų69145.3 Ų145.371%0.71176%0.761SS**  trans-171.962.2-171.500000112.6E86G84-E86 PolarHBondContact O-N 3.28Å
85S40.8Very low45.9Very low110 Ų110147.8 Ų147.877%0.76977%0.77SS**  trans-78.878.6-17855.80000112.5
86E42.4Very low46.2Very low149 Ų149142.9 Ų142.970%0.69677%0.765SS**  trans-115.5108.1169.9-79.9-62.5163.600111.2G84 F88G84-E86 PolarHBondContact O-N 3.28Å; E86-F88 VanDerWaalsContact C-N 3.28Å; E86-F88 HydrophobicContact CB-CD2 3.99Å; E86-F88 HydrophobicContact CB-CE2 3.85Å; E86-F88 PolarHBondContact O-N 3.26Å
87V45.6Very low46.7Very low137 Ų137141.7 Ų141.783%0.8376%0.762SS**  trans-81.875.2-177.6-175.80000109.3P89V87-P89 WeakPolarHBondContact O-CD 3.46Å
88F42.3Very low47.2Very low175 Ų175142.2 Ų142.277%0.76877%0.765SS**  trans-61.9116.2177.8-89.8-84.6000111.7E86 R90E86-F88 VanDerWaalsContact C-N 3.28Å; E86-F88 HydrophobicContact CB-CD2 3.99Å; E86-F88 HydrophobicContact CB-CE2 3.85Å; E86-F88 PolarHBondContact O-N 3.26Å; F88-R90 PolarHBondContact O-N 3.32Å
89P54.7Low47.7Very low110 Ų110143.1 Ų143.171%0.71477%0.768SS**  trans-67.2132.7174.5-1731.9000109.6V87 R91V87-P89 WeakPolarHBondContact O-CD 3.46Å; P89-R91 PolarHBondContact O-N 3.25Å
90R46.6Very low48Very low244 Ų244142.9 Ų142.992%0.92178%0.776SS**  trans-63.5100.7167.9-72.5-175.5-179.9-121.93108.5F88 P92F88-R90 PolarHBondContact O-N 3.32Å; R90-P92 WeakPolarHBondContact O-CD 3.34Å
91R52.2Low48Very low235 Ų235141.8 Ų141.889%0.88777%0.772SS**PPolyproline II helixtrans-54123.6170.2-71.6-170179.8-142.11.6108.9P89P89-R91 PolarHBondContact O-N 3.25Å
92P53.9Low48.3Very low121 Ų121140.7 Ų140.779%0.78677%0.769SS**PPolyproline II helixtrans-60.5139.3170-21.633.6000109.8R90R90-P92 WeakPolarHBondContact O-CD 3.34Å
93S54.1Low48.2Very low80 Ų80138.8 Ų138.856%0.55976%0.76SS**PPolyproline II helixtrans-69.7130.6165.4178.10000108.4F95 G96S93-F95 PolarHBondContact O-N 3.19Å; S93-G96 PolarHBondContact O-N 2.97Å
94P59.5Low48.9Very low116 Ų116136.5 Ų136.575%0.75376%0.756SS**THydrogen-bonded Turntrans-65.4-9.2179.226.5-34.1000113.5
95F51.2Low49.9Very low191 Ų191139.4 Ų139.484%0.83876%0.755SS**THydrogen-bonded Turntrans-95.417.9172.2-71.2-83.9000113.6S93 Q97S93-F95 PolarHBondContact O-N 3.19Å; F95-Q97 VanDerWaalsContact C-N 3.32Å; F95-Q97 PolarHBondContact O-N 2.79Å
96G44.7Very low50.5Low65 Ų65142.7 Ų142.767%0.6776%0.76SS**  trans-82.912-17700000116.6S93S93-G96 PolarHBondContact O-N 2.97Å
97Q48.3Very low51.2Low167 Ų167143.1 Ų143.178%0.7877%0.765SS**  trans-92.5141-174-66.2-176.1-10.100112.9F95F95-Q97 VanDerWaalsContact C-N 3.32Å; F95-Q97 PolarHBondContact O-N 2.79Å
98T47.1Very low51.3Low119 Ų119144.3 Ų144.373%0.7376%0.762SS**SBendtrans66.351.4162.4-37.30000117.6
99I53Low52.1Low149 Ų149140.5 Ų140.576%0.76476%0.755SS**  trans-131.446.7152.9-39.4179.7000110.7
100Q48.2Very low52.3Low195 Ų195140.6 Ų140.691%0.91176%0.758SS**SBendtrans-140.545.7175.2-71.3-170.179.600111.4
101S49.4Very low52.7Low79 Ų79133.9 Ų133.955%0.55276%0.755SS**  trans-163.923.3172.270.60000113.5D103S101-D103 PolarHBondContact O-N 3.17Å
102I51.9Low53.1Low152 Ų152131 Ų13178%0.77975%0.746SS**  trans-94.267.7170.5-52.1-179.1000107
103D47.8Very low53.4Low132 Ų132129.8 Ų129.871%0.70673%0.732SS**  trans-73136.6176.9-68.9-76.7000111S101 D105S101-D103 PolarHBondContact O-N 3.17Å; D103-D105 VanDerWaalsContact C-N 3.32Å; D103-D105 PolarHBondContact O-N 3.01Å
104G55.8Low54.2Low72 Ų72129.7 Ų129.774%0.74273%0.729SS**SBendtrans53.8-66.1156.100000120.3
105D58.2Low54Low129 Ų129132.9 Ų132.969%0.6973%0.728SS**  -1185.9-120.4-67.9-25.2000115.5D103D103-D105 VanDerWaalsContact C-N 3.32Å; D103-D105 PolarHBondContact O-N 3.01Å
106M54Low54.3Low180 Ų180130.3 Ų130.389%0.88772%0.723SS**SBendtrans-100.74.9-178.6-79.7-8879.600115.8
107I56.9Low54.9Low157 Ų157132.5 Ų132.581%0.80572%0.718SS**  trans-134.369.6173.2-45.3-178.9000110.9P109I107-P109 WeakPolarHBondContact O-CD 3.29Å
108Q48.5Very low55.2Low162 Ų162129.7 Ų129.776%0.75771%0.712SS**PPolyproline II helixtrans-78.5120.4159.5-77-69-12.200109.1S110Q108-S110 PolarHBondContact O-N 3.13Å
109P57.7Low55.6Low96 Ų96131.7 Ų131.762%0.62371%0.713SS**PPolyproline II helixtrans-62.5133.7168-17.931.9000109.5I107 A111I107-P109 WeakPolarHBondContact O-CD 3.29Å; P109-A111 PolarHBondContact O-N 2.82Å
110S58.6Low55.2Low111 Ų111132.4 Ų132.478%0.77672%0.719SS**PPolyproline II helixtrans-54138.6168.250.60000109.9Q108 Y112Q108-S110 PolarHBondContact O-N 3.13Å; S110-Y112 PolarHBondContact O-N 3.43Å
111A56Low55.3Low104 Ų104130.8 Ų130.886%0.8671%0.711SS**  trans-55.7113.2173.200000109.2P109 D113P109-A111 PolarHBondContact O-N 2.82Å; A111-D113 PolarHBondContact O-N 3.46Å
112Y60Low55Low175 Ų175137.8 Ų137.869%0.68673%0.725SS**  trans-76.8102.3171.5173.6-92.7000107.1S110 P114S110-Y112 PolarHBondContact O-N 3.43Å; Y112-P114 HydrophobicContact CD1-CG 4.19Å; Y112-P114 HydrophobicContact CE1-CB 4.03Å; Y112-P114 HydrophobicContact CE1-CG 4.07Å; Y112-P114 WeakPolarHBondContact O-CD 3.4Å
113D60.4Low54.8Low95 Ų95137.4 Ų137.451%0.50873%0.73SS.*  trans-73.7119.9165.5-166.7-38.6000108.3A111 Y115 D116A111-D113 PolarHBondContact O-N 3.46Å; D113-Y115 PolarHBondContact O-N 3.49Å; D113-Y115 WeakPolarHBondContact OD1-CB 3.49Å; D113-Y115 PolarHBondContact OD1-N 2.97Å; D113-D116 HydrophobicContact CB-CB 4.22Å
114P70.9Confident54.4Low77 Ų77140.3 Ų140.350%0.574%0.74SS.*THydrogen-bonded Turntrans-68.2-9.1178.2-19.133.8000115Y112Y112-P114 HydrophobicContact CD1-CG 4.19Å; Y112-P114 HydrophobicContact CE1-CB 4.03Å; Y112-P114 HydrophobicContact CE1-CG 4.07Å; Y112-P114 WeakPolarHBondContact O-CD 3.4Å
115Y54.9Low53.6Low183 Ų183139.6 Ų139.672%0.71873%0.732SS**THydrogen-bonded Turntrans-111.2-10.2-171.3-67.8-80.6000115.1D113 I117D113-Y115 PolarHBondContact O-N 3.49Å; D113-Y115 WeakPolarHBondContact OD1-CB 3.49Å; D113-Y115 PolarHBondContact OD1-N 2.97Å; Y115-I117 PolarHBondContact O-N 3.32Å
116D58.5Low52.9Low138 Ų138141.9 Ų141.974%0.73874%0.743SS**THydrogen-bonded Turntrans-75.535.8-178.9-162.524.2000113.9D113D113-D116 HydrophobicContact CB-CB 4.22Å
117I57.4Low52.3Low111 Ų111138.9 Ų138.957%0.56974%0.74SS**THydrogen-bonded Turntrans-125.14.4-178.4-28.6-178.8000111.6Y115Y115-I117 PolarHBondContact O-N 3.32Å
118V54.9Low51.4Low107 Ų107135.1 Ų135.165%0.64874%0.74SS**SBendtrans-108.4-25.7-169.3-171.10000113.5N120V118-N120 PolarHBondContact O-N 3.01Å
119E54Low50.8Low161 Ų161130.4 Ų130.475%0.75274%0.735SS**THydrogen-bonded Turntrans-73.7-29.9-171.9-153.562.9-16100113.5Q121E119-Q121 VanDerWaalsContact C-N 3.34Å; E119-Q121 PolarHBondContact O-N 2.93Å
120N45.7Very low49.7Very low165 Ų165129.2 Ų129.288%0.88274%0.74SS**THydrogen-bonded Turntrans-91.227.3-161.2-132.3-0.9000115.2V118V118-N120 PolarHBondContact O-N 3.01Å
121Q50.1Low48.9Very low161 Ų161135.4 Ų135.475%0.75275%0.747SS**  trans-125.738.6-177.2-72.7-178.870.900113E119E119-Q121 VanDerWaalsContact C-N 3.34Å; E119-Q121 PolarHBondContact O-N 2.93Å
122R43.6Very low48.4Very low226 Ų226136 Ų13685%0.85374%0.74SS**  trans-135.940-173.5-82.8-174.1163.9170.7-7.5116.1
123T46Very low47.4Very low144 Ų144134.4 Ų134.488%0.88375%0.748SS**  trans-136.954.8162.358.60000112
124E41.3Very low46.6Very low193 Ų193134.9 Ų134.990%0.90276%0.759SS**  trans-76.7113.9162.3-73.4-70.1157.300108.8
125G38.6Very low45.1Very low56 Ų56137.4 Ų137.458%0.57778%0.778SS**  trans161.3121.4172.400000116.3
126L43.1Very low44.7Very low178 Ų178133.9 Ų133.993%0.93278%0.78SS**  trans66.3150167.5-54.7118.1000116.3
127S41.7Very low44.1Very low116 Ų116133.3 Ų133.381%0.81179%0.787SS**  cis-157.2154.7-31.3-167.80000107.9
128G37.5Very low43.9Very low78 Ų78133.2 Ų133.280%0.80480%0.796SS**  trans-70.5176.8-160.100000119.1
129G36.5Very low43.9Very low64 Ų64133.3 Ų133.366%0.6680%0.802SS**  trans121.5108146.800000117.1W131G129-W131 PolarHBondContact O-NE1 3.41Å
130G34.1Very low44.3Very low71 Ų71131.3 Ų131.373%0.73280%0.803SS**  trans76.6177.716300000116.1
131W41.5Very low45.1Very low240 Ų240129.4 Ų129.491%0.90980%0.8SS**  cis-138.1170.96.4-71.881.3000113.5G129G129-W131 PolarHBondContact O-NE1 3.41Å
132T45.5Very low45.4Very low118 Ų118126.5 Ų126.572%0.72480%0.803SS**  trans-49.8154.1179.245.10000116S134T132-S134 PolarHBondContact O-N 3.4Å
133V39.4Very low46.2Very low141 Ų141125.2 Ų125.286%0.85580%0.803SS**  trans-53.9130.4168.4-166.10000110.8
134S43.4Very low47.2Very low105 Ų105127.5 Ų127.573%0.73481%0.806SS**  trans-156.9134.4159.9-81.90000111T132 S136T132-S134 PolarHBondContact O-N 3.4Å; S134-S136 PolarHBondContact O-N 3.5Å
135S38.7Very low48.3Very low129 Ų129127.2 Ų127.290%0.90280%0.802SS**  trans-79.1107.5-173.8-56.30000112.6
136S47Very low49.5Very low110 Ų110131.8 Ų131.877%0.76981%0.812SS**  trans-149.9154.616260.20000111.7S134S134-S136 PolarHBondContact O-N 3.5Å
137S46.1Very low50.5Low125 Ų125131.7 Ų131.787%0.87481%0.809SS**  trans-74.2123.7-167.551.20000114.1
138S52.6Low51.6Low109 Ų109137 Ų13776%0.76281%0.811SS**  trans-152.8145.4154.655.80000113.3
139S56.6Low52.8Low110 Ų110143.2 Ų143.277%0.76982%0.816SS**  trans31.6114.4157.7-56.20000120.9
140P61.3Low53.5Low119 Ų119144.6 Ų144.677%0.77382%0.821SS**PPolyproline II helixtrans-68153.9161.231.8-34.8000111.3
141P62.8Low54.3Low125 Ų125148.1 Ų148.181%0.81283%0.828SS**PPolyproline II helixtrans-62.3148.3-178.225.1-34.4000112.9K143P141-K143 PolarHBondContact O-N 3.31Å
142A56.7Low54.8Low99 Ų99142.4 Ų142.482%0.81883%0.825SS**PPolyproline II helixtrans-62.7129.2-170.400000113M144A142-M144 PolarHBondContact O-N 2.83Å
143K60.1Low55.1Low199 Ų199145.6 Ų145.687%0.86583%0.832SS**  trans-68.9115.7174.4-68.4177.3178.2176.10110P141 K145P141-K143 PolarHBondContact O-N 3.31Å; K143-K145 PolarHBondContact O-N 3.46Å
144M66.7Low55.2Low193 Ų193149.5 Ų149.595%0.95183%0.833SS**  trans-58.1110.8168.5-67179.173.500109.5A142A142-M144 PolarHBondContact O-N 2.83Å
145K63.5Low55.5Low186 Ų186150.6 Ų150.681%0.80984%0.837SS**  trans-104.1110.7-170.2-153.5176-173.5-177.50109.4K143 M147K143-K145 PolarHBondContact O-N 3.46Å; K145-M147 PolarHBondContact O-N 3.06Å
146I65.2Low55.9Low153 Ų153154.1 Ų154.179%0.78584%0.84SS**  trans-69.398.4178.9-59.2173000109
147M62.9Low55.6Low175 Ų175152.9 Ų152.986%0.86285%0.845SS**PPolyproline II helixtrans-81.3120.9172.3-72.4177.36100109.9K145K145-M147 PolarHBondContact O-N 3.06Å
148R66.1Low55.5Low229 Ų229150.5 Ų150.586%0.86484%0.839SS**PPolyproline II helixtrans-86.7123.8165.4-68-179.9171.393-4.6107.9
149K61.4Low55.1Low207 Ų207150.3 Ų150.390%0.984%0.844SS**PPolyproline II helixtrans-85.8132.6175.4-169.8168.9-178.8176.70109.4
150A52.3Low54.9Low93 Ų93150 Ų15077%0.76985%0.848SS**PPolyproline II helixtrans-73.115117800000111.7
151T50.7Low54.8Low145 Ų145154.3 Ų154.389%0.8985%0.849SS**PPolyproline II helixtrans-8714717746.50000111.5
152S51.7Low55Low121 Ų121155.4 Ų155.485%0.84684%0.841SS**  trans-127.6145.1166.6-170.10000109.2
153E51Low54.9Low185 Ų185156 Ų15686%0.86484%0.837SS**  trans-66.8171.9-156.8-65.8160.4-171.100117
154Y43.1Very low54.8Low222 Ų222155.3 Ų155.387%0.87183%0.829SS**  trans-77.5167.3-168.9-57.3-100.4000113.9
155P49.1Very low54.5Low128 Ų128155.2 Ų155.283%0.83182%0.818SS**  -135.4-173.188.132.3-15.4000115.2
156E46.7Very low54.4Low203 Ų203156.9 Ų156.995%0.94982%0.819SS**  trans-60.3164.2-163.6-57.3-176.987.900118.2
157G41.2Very low54.3Low85 Ų85152.5 Ų152.588%0.87681%0.805SS**  trans114.240.9142.800000120
158G43Very low54.3Low74 Ų74148.2 Ų148.276%0.76378%0.783SS**  trans-152108.3177.500000116.5A160G158-A160 VanDerWaalsContact C-N 3.3Å; G158-A160 PolarHBondContact O-N 3.28Å
159A44Very low54.2Low105 Ų105139.8 Ų139.887%0.86876%0.763SS**  trans-80.857.5-174.700000115R161A159-R161 PolarHBondContact O-N 3Å
160A54.4Low54.4Low103 Ų103137 Ų13785%0.85175%0.753SS**  trans-71.946.4-174.700000115.9G158 K162G158-A160 VanDerWaalsContact C-N 3.3Å; G158-A160 PolarHBondContact O-N 3.28Å; A160-K162 PolarHBondContact O-N 3.43Å
161R58.2Low55Low210 Ų210137.7 Ų137.779%0.79274%0.74SS**  trans-72.7110.2173.8-69.3-174.9-176.5-104.68.2111.2A159A159-R161 PolarHBondContact O-N 3Å
162K66.1Low55.9Low149 Ų149135.1 Ų135.165%0.64872%0.721SS**  trans162.8136.7137.6-85.4149.9-132.7100.90110.3A160A160-K162 PolarHBondContact O-N 3.43Å
163P54.6Low56.9Low111 Ų111136 Ų13672%0.72171%0.712SS**SBend-121.425.495.337.1-35.8000114.7R165 R166P163-R165 PolarHBondContact O-N 3.21Å; P163-R166 PolarHBondContact O-N 3.28Å
164R59.4Low57.9Low185 Ų185128.9 Ų128.970%0.69868%0.682SS**THydrogen-bonded Turntrans-51.2-24.4-179.5-169.3173172.8162.3-3.4114.9R166 A167 Q168R164-R166 VanDerWaalsContact C-N 3.32Å; R164-R166 PolarHBondContact O-N 3.37Å; R164-A167 PolarHBondContact O-N 2.69Å; R164-Q168 HydrophobicContact CG-CG 4.38Å; R164-Q168 PolarHBondContact O-N 3.16Å
165R59.7Low59.3Low190 Ų190123.2 Ų123.272%0.71766%0.664SS**Hα-helixtrans-51.5-41.6177.4-79.7-170-179.5-95.79.1113.7P163 A167 Q168 A169P163-R165 PolarHBondContact O-N 3.21Å; R165-A167 VanDerWaalsContact C-N 3.34Å; R165-A167 PolarHBondContact O-N 3.08Å; R165-Q168 PolarHBondContact O-N 3.39Å; R165-Q168 VanDerWaalsContact O-N 3.13Å; R165-A169 PolarHBondContact O-N 3.3Å
166R62.6Low60.7Low222 Ų222122.7 Ų122.784%0.83865%0.653SS**Hα-helixtrans-69.2-32.7-176.5-158.4176.3-165-1796.5112.6P163 R164 Q168P163-R166 PolarHBondContact O-N 3.28Å; R164-R166 VanDerWaalsContact C-N 3.32Å; R164-R166 PolarHBondContact O-N 3.37Å; R166-Q168 VanDerWaalsContact C-N 3.31Å
167A61.4Low62Low60 Ų60117.5 Ų117.550%0.49663%0.632SS.*Hα-helixtrans-72.2-24.9173.600000112.7R164 R165 Q171R164-A167 PolarHBondContact O-N 2.69Å; R165-A167 VanDerWaalsContact C-N 3.34Å; R165-A167 PolarHBondContact O-N 3.08Å; A167-Q171 WeakPolarHBondContact O-CG 3.41Å; A167-Q171 PolarHBondContact O-NE2 3.41Å
168Q62.9Low63.5Low85 Ų85114.1 Ų114.140%0.39759%0.594SS.*Hα-helixtrans-79.7-46.3175.3-67.3176-9600111.6R164 R165 R166 H170 Q171 D172R164-Q168 HydrophobicContact CG-CG 4.38Å; R164-Q168 PolarHBondContact O-N 3.16Å; R165-Q168 PolarHBondContact O-N 3.39Å; R165-Q168 VanDerWaalsContact O-N 3.13Å; R166-Q168 VanDerWaalsContact C-N 3.31Å; Q168-H170 VanDerWaalsContact C-N 3.28Å; Q168-H170 PolarHBondContact O-N 3.44Å; Q168-Q171 WeakPolarHBondContact O-CA 3.43Å; Q168-Q171 VanDerWaalsContact O-CB 3.29Å; Q168-Q171 WeakPolarHBondContact O-CB 3.47Å; Q168-Q171 PolarHBondContact O-N 2.84Å; Q168-D172 PolarHBondContact O-N 2.74Å
169A64.9Low64.9Low53 Ų53116 Ų11644%0.43858%0.584SS.*Hα-helixtrans-55.6-40.1-179.200000113.3R165 Q171 D172 E173R165-A169 PolarHBondContact O-N 3.3Å; A169-Q171 VanDerWaalsContact C-N 3.3Å; A169-Q171 PolarHBondContact O-N 2.97Å; A169-D172 PolarHBondContact O-N 3.18Å; A169-E173 WeakPolarHBondContact O-CG 3.26Å; A169-E173 PolarHBondContact O-N 2.94Å
170H65.1Low66.2Low147 Ų147115.8 Ų115.868%0.68157%0.565SS**Hα-helixtrans-69.4-24.9174.7-170.1-54.6000113Q168 S174Q168-H170 VanDerWaalsContact C-N 3.28Å; Q168-H170 PolarHBondContact O-N 3.44Å; H170-S174 WeakPolarHBondContact O-CB 3.49Å; H170-S174 PolarHBondContact O-N 3.16Å
171Q65.7Low66.9Low109 Ų109115.8 Ų115.851%0.50955%0.548SS..Hα-helixtrans-72.4-43.2171.1-69.7169.956.300110.3A167 Q168 A169 S174 Q175A167-Q171 WeakPolarHBondContact O-CG 3.41Å; A167-Q171 PolarHBondContact O-NE2 3.41Å; Q168-Q171 WeakPolarHBondContact O-CA 3.43Å; Q168-Q171 VanDerWaalsContact O-CB 3.29Å; Q168-Q171 WeakPolarHBondContact O-CB 3.47Å; Q168-Q171 PolarHBondContact O-N 2.84Å; A169-Q171 VanDerWaalsContact C-N 3.3Å; A169-Q171 PolarHBondContact O-N 2.97Å; Q171-S174 WeakPolarHBondContact O-CB 3.42Å; Q171-S174 PolarHBondContact O-N 3.47Å; Q171-S174 PolarHBondContact O-OG 3.04Å; Q171-Q175 WeakPolarHBondContact O-CG 3.42Å; Q171-Q175 PolarHBondContact O-N 3.2Å; Q171-Q175 PolarHBondContact O-NE2 3.22Å
172D68.5Low67.3Low91 Ų91110.1 Ų110.149%0.48753%0.53SS..Hα-helixtrans-64.1-48.5-178-55.4-33.7000111.8Q168 A169 S174 Q175 L176Q168-D172 PolarHBondContact O-N 2.74Å; A169-D172 PolarHBondContact O-N 3.18Å; D172-S174 VanDerWaalsContact C-N 3.3Å; D172-S174 PolarHBondContact O-N 2.98Å; D172-Q175 WeakPolarHBondContact O-CA 3.34Å; D172-Q175 WeakPolarHBondContact O-CB 3.41Å; D172-Q175 PolarHBondContact O-N 3.39Å; D172-Q175 PolarHBondContact OD1-NE2 3.19Å; D172-L176 PolarHBondContact O-N 3.47Å
173E74Confident67.5Low139 Ų139107.2 Ų107.265%0.6553%0.534SS*.Hα-helixtrans-53.3-45.6170.5-72.5-11486.400112A169 Q175 L176 L177A169-E173 WeakPolarHBondContact O-CG 3.26Å; A169-E173 PolarHBondContact O-N 2.94Å; E173-Q175 PolarHBondContact O-N 3.35Å; E173-L176 PolarHBondContact O-N 3.42Å; E173-L177 WeakPolarHBondContact O-CG 3.06Å; E173-L177 PolarHBondContact O-N 3.05Å; E173-L177 VanDerWaalsContact O-N 3.08Å
174S70.8Confident68.2Low36 Ų36108.3 Ų108.325%0.25253%0.531SS..Hα-helixtrans-65.3-26.417888.10000113H170 Q171 D172 T178 K198H170-S174 WeakPolarHBondContact O-CB 3.49Å; H170-S174 PolarHBondContact O-N 3.16Å; Q171-S174 WeakPolarHBondContact O-CB 3.42Å; Q171-S174 PolarHBondContact O-N 3.47Å; Q171-S174 PolarHBondContact O-OG 3.04Å; D172-S174 VanDerWaalsContact C-N 3.3Å; D172-S174 PolarHBondContact O-N 2.98Å; S174-T178 PolarHBondContact O-OG1 3.37Å; S174-K198 VanDerWaalsContact C-NZ 3.25Å; S174-K198 PolarHBondContact O-NZ 2.76Å; S174-K198 PolarHBondContact OG-NZ 2.89Å; S174-K198 VanDerWaalsContact OG-NZ 3.16Å
175Q73.2Confident68.5Low102 Ų102102.7 Ų102.748%0.47753%0.531SS..Hα-helixtrans-77.1-47.8177.9-73.5176.598.500110.2Q171 D172 E173 L177 T178 M179Q171-Q175 WeakPolarHBondContact O-CG 3.42Å; Q171-Q175 PolarHBondContact O-N 3.2Å; Q171-Q175 PolarHBondContact O-NE2 3.22Å; D172-Q175 WeakPolarHBondContact O-CA 3.34Å; D172-Q175 WeakPolarHBondContact O-CB 3.41Å; D172-Q175 PolarHBondContact O-N 3.39Å; D172-Q175 PolarHBondContact OD1-NE2 3.19Å; E173-Q175 PolarHBondContact O-N 3.35Å; Q175-L177 PolarHBondContact O-N 3.38Å; Q175-T178 WeakPolarHBondContact O-CA 3.4Å; Q175-T178 WeakPolarHBondContact O-CB 3.43Å; Q175-T178 PolarHBondContact O-N 3.48Å; Q175-M179 PolarHBondContact O-N 3.48Å
176L78Confident69.2Low117 Ų11796.8 Ų96.861%0.61352%0.516SS*.Hα-helixtrans-58.7-45.9178.3-162.5153.8000111.7D172 E173 T178 M179 Q180D172-L176 PolarHBondContact O-N 3.47Å; E173-L176 PolarHBondContact O-N 3.42Å; L176-T178 PolarHBondContact O-N 2.81Å; L176-M179 PolarHBondContact O-N 3.29Å; L176-Q180 WeakPolarHBondContact O-CB 3.47Å; L176-Q180 PolarHBondContact O-N 2.96Å
177L75.1Confident70.1Confident94 Ų9492.1 Ų92.149%0.49251%0.512SS..Hα-helixtrans-59.5-26173.3-72.7171.3000113.9E173 Q175 Q181E173-L177 WeakPolarHBondContact O-CG 3.06Å; E173-L177 PolarHBondContact O-N 3.05Å; E173-L177 VanDerWaalsContact O-N 3.08Å; Q175-L177 PolarHBondContact O-N 3.38Å; L177-Q181 WeakPolarHBondContact O-CG 3.49Å; L177-Q181 PolarHBondContact O-N 3.17Å; L177-Q181 PolarHBondContact O-NE2 3.47Å
178T72Confident71.2Confident15 Ų1592.4 Ų92.49%0.09251%0.507CS..Hα-helixtrans-84.6-41.3179.1-54.20000111.5S174 Q175 L176 Q180 Q181 Q182 K198S174-T178 PolarHBondContact O-OG1 3.37Å; Q175-T178 WeakPolarHBondContact O-CA 3.4Å; Q175-T178 WeakPolarHBondContact O-CB 3.43Å; Q175-T178 PolarHBondContact O-N 3.48Å; L176-T178 PolarHBondContact O-N 2.81Å; T178-Q180 VanDerWaalsContact C-N 3.3Å; T178-Q180 PolarHBondContact O-N 3.38Å; T178-Q181 PolarHBondContact O-N 3.36Å; T178-Q182 WeakPolarHBondContact O-CG 3.18Å; T178-Q182 PolarHBondContact O-N 2.81Å; T178-K198 HydrophobicContact CG2-CG 4.47Å; T178-K198 VanDerWaalsContact OG1-CD 3.26Å; T178-K198 WeakPolarHBondContact OG1-CD 3.3Å; T178-K198 WeakPolarHBondContact OG1-CE 3.46Å; T178-K198 WeakPolarHBondContact OG1-CG 3.42Å; T178-K198 PolarHBondContact OG1-NZ 2.87Å
179M71.2Confident72.6Confident113 Ų11394.2 Ų94.256%0.55751%0.511SS*.Hα-helixtrans-59.5-43.1172.7-65-68.595.800110.8Q175 L176 Q181 Q182 A183Q175-M179 PolarHBondContact O-N 3.48Å; L176-M179 PolarHBondContact O-N 3.29Å; M179-Q181 PolarHBondContact O-N 3.08Å; M179-Q182 PolarHBondContact O-N 2.88Å; M179-A183 WeakPolarHBondContact O-CB 3.39Å; M179-A183 PolarHBondContact O-N 2.91Å
180Q72.3Confident74Confident100 Ų10095.1 Ų95.147%0.46751%0.51SS..Hα-helixtrans-63.2-40.7176.6-172.9172.179.500112.8L176 T178 Q182 A183 M184L176-Q180 WeakPolarHBondContact O-CB 3.47Å; L176-Q180 PolarHBondContact O-N 2.96Å; T178-Q180 VanDerWaalsContact C-N 3.3Å; T178-Q180 PolarHBondContact O-N 3.38Å; Q180-Q182 VanDerWaalsContact C-N 3.33Å; Q180-Q182 PolarHBondContact O-N 3.01Å; Q180-A183 PolarHBondContact O-N 2.86Å; Q180-M184 HydrophobicContact CG-CE 3.89Å; Q180-M184 WeakPolarHBondContact O-CG 3.36Å; Q180-M184 PolarHBondContact O-N 3.06Å; Q180-M184 VanDerWaalsContact O-N 3.16Å
181Q68.8Low75.6Confident104 Ų10488.1 Ų88.149%0.48648%0.478SS..Hα-helixtrans-65-35174.7-80.7169.98800112.8L177 T178 M179L177-Q181 WeakPolarHBondContact O-CG 3.49Å; L177-Q181 PolarHBondContact O-N 3.17Å; L177-Q181 PolarHBondContact O-NE2 3.47Å; T178-Q181 PolarHBondContact O-N 3.36Å; M179-Q181 PolarHBondContact O-N 3.08Å
182Q66.7Low77.1Confident90 Ų9084.2 Ų84.242%0.42146%0.463SS..Hα-helixtrans-70.9-42.6174.8-71.4175.6-3.400111.9T178 M179 Q180 M184 G185 V188T178-Q182 WeakPolarHBondContact O-CG 3.18Å; T178-Q182 PolarHBondContact O-N 2.81Å; M179-Q182 PolarHBondContact O-N 2.88Å; Q180-Q182 VanDerWaalsContact C-N 3.33Å; Q180-Q182 PolarHBondContact O-N 3.01Å; Q182-M184 VanDerWaalsContact C-N 3.29Å; Q182-M184 PolarHBondContact O-N 2.89Å; Q182-G185 PolarHBondContact O-N 3.28Å; Q182-V188 HydrophobicContact CG-CG2 3.86Å
183A69.6Low78.4Confident89 Ų8983.9 Ų83.974%0.73646%0.461SS*.Hα-helixtrans-63.3-31179.200000113.6M179 Q180 G185M179-A183 WeakPolarHBondContact O-CB 3.39Å; M179-A183 PolarHBondContact O-N 2.91Å; Q180-A183 PolarHBondContact O-N 2.86Å; A183-G185 PolarHBondContact O-N 2.96Å
184M70.5Confident79.5Confident134 Ų13480.3 Ų80.366%0.6645%0.451SS*.THydrogen-bonded Turntrans-76.49.5176.9-70.6-179.7177.700114.4Q180 Q182 V186Q180-M184 HydrophobicContact CG-CE 3.89Å; Q180-M184 WeakPolarHBondContact O-CG 3.36Å; Q180-M184 PolarHBondContact O-N 3.06Å; Q180-M184 VanDerWaalsContact O-N 3.16Å; Q182-M184 VanDerWaalsContact C-N 3.29Å; Q182-M184 PolarHBondContact O-N 2.89Å; M184-V186 HydrophobicContact CB-CG2 3.88Å; M184-V186 PolarHBondContact O-N 2.95Å; M184-V186 VanDerWaalsContact O-N 3.08Å
185G64.6Low80.8Confident67 Ų6784.2 Ų84.269%0.69147%0.469SS*.THydrogen-bonded Turntrans64.512.5-178.300000114.3Q182 A183 V187Q182-G185 PolarHBondContact O-N 3.28Å; A183-G185 PolarHBondContact O-N 2.96Å; G185-V187 PolarHBondContact O-N 3.05Å
186V74.4Confident81.8Confident65 Ų6581.5 Ų81.539%0.39446%0.459SS..  trans-72.6119.2-176.8179.30000108.9M184 V188M184-V186 HydrophobicContact CB-CG2 3.88Å; M184-V186 PolarHBondContact O-N 2.95Å; M184-V186 VanDerWaalsContact O-N 3.08Å; V186-V188 PolarHBondContact O-N 2.7Å
187V82.3Confident82.7Confident124 Ų12478.3 Ų78.375%0.75244%0.444SS*.  trans-48.2107.1177.2-179.80000110.2G185 R189G185-V187 PolarHBondContact O-N 3.05Å; V187-R189 PolarHBondContact O-N 3.41Å
188V85.3Confident83.5Confident67 Ų6777.4 Ų77.441%0.40644%0.437SS..  trans-67.4108.5-171-177.80000108.9Q182 V186 T197Q182-V188 HydrophobicContact CG-CG2 3.86Å; V186-V188 PolarHBondContact O-N 2.7Å; V188-T197 HydrophobicContact CG1-CG2 3.61Å
189R90.8Very high84.6Confident123 Ų12378.1 Ų78.146%0.46444%0.441SS..  trans-74140.3176.8-61.3-171.2-17085.89.1109.7V187 T197 W202V187-R189 PolarHBondContact O-N 3.41Å; R189-T197 WeakPolarHBondContact O-CA 3.36Å; R189-W202 VanDerWaalsContact C-CH2 3.43Å; R189-W202 HydrophobicContact CB-CD2 4.3Å; R189-W202 HydrophobicContact CB-CE3 4.4Å; R189-W202 HydrophobicContact CB-CH2 3.74Å; R189-W202 HydrophobicContact CB-CZ2 3.59Å; R189-W202 HydrophobicContact CB-CZ3 4.13Å; R189-W202 WeakPolarHBondContact O-CH2 3.48Å; R189-W202 WeakPolarHBondContact O-CZ2 3.33Å
190V95.8Very high85.7Confident72 Ų7278.8 Ų78.844%0.43645%0.453SS..  trans-124131-178.2177.40000108S192 N195 T197V190-S192 PolarHBondContact O-N 3.05Å; V190-N195 HydrophobicContact CG1-CB 4.04Å; V190-T197 HydrophobicContact CG2-CG2 4.17Å
191C97.6Very high86.8Confident0 Ų078 Ų780%045%0.452CS..  trans-67.8123.7176.5177.30000111.1D193 C194 N195 T196 W202 S211 C213C191-D193 PolarHBondContact O-N 3.36Å; C191-C194 PolarHBondContact O-N 2.97Å; C191-N195 VanDerWaalsContact O-CA 3.27Å; C191-N195 WeakPolarHBondContact O-CA 3.37Å; C191-N195 PolarHBondContact O-N 3.45Å; C191-N195 PolarHBondContact O-OD1 3.06Å; C191-T196 HydrophobicContact CB-CG2 3.73Å; C191-T196 PolarHBondContact N-O 2.99Å; C191-W202 HydrophobicContact CB-CZ3 4.24Å; C191-S211 WeakPolarHBondContact CA-O 3.42Å; C191-C213 HydrophobicContact CB-CB 3.96Å; C191-C213 PolarHBondContact SG-N 3.3Å; C191-C213 VanDerWaalsContact SG-SG 3.6Å
192S96.7Very high88.2Confident27 Ų2775.4 Ų75.419%0.18944%0.438CS..THydrogen-bonded Turntrans-61-21.5-175.159.20000116V190 S211 L212V190-S192 PolarHBondContact O-N 3.05Å; S192-S211 PolarHBondContact N-O 3.15Å; S192-L212 WeakPolarHBondContact OG-CD2 3.16Å
193D96.9Very high89.6Confident84 Ų8473.7 Ų73.745%0.44943%0.428SS..THydrogen-bonded Turntrans-104.1-16.1-168.8-59.84.9000113.1C191 L212 C216C191-D193 PolarHBondContact O-N 3.36Å; D193-L212 HydrophobicContact CB-CD2 4.14Å; D193-L212 WeakPolarHBondContact OD1-CD2 3.47Å; D193-L212 WeakPolarHBondContact OD2-CD2 3.27Å; D193-C216 HydrophobicContact CB-CB 3.99Å
194C97.4Very high90.9Very high64 Ų6473.4 Ų73.443%0.43242%0.421SS..THydrogen-bonded Turntrans-153.912.7-175.170.60000114.3C191 T196C191-C194 PolarHBondContact O-N 2.97Å; C194-T196 PolarHBondContact O-N 3.25Å
195N96.7Very high92Very high118 Ų11867.9 Ų67.963%0.63140%0.398SS*.  trans52.212.6175.2-60.44.9000117.3V190 C191 T197V190-N195 HydrophobicContact CG1-CB 4.04Å; C191-N195 VanDerWaalsContact O-CA 3.27Å; C191-N195 WeakPolarHBondContact O-CA 3.37Å; C191-N195 PolarHBondContact O-N 3.45Å; C191-N195 PolarHBondContact O-OD1 3.06Å; N195-T197 PolarHBondContact O-N 3.06Å
196T95.5Very high93.5Very high45 Ų4569 Ų6928%0.27639%0.393SS..  trans-64.4131.2173.8-173.10000111.2C191 C194 K198 C213C191-T196 HydrophobicContact CB-CG2 3.73Å; C191-T196 PolarHBondContact N-O 2.99Å; C194-T196 PolarHBondContact O-N 3.25Å; T196-K198 WeakPolarHBondContact CG2-O 3.2Å; T196-K198 PolarHBondContact OG1-N 3.42Å; T196-K198 PolarHBondContact OG1-O 3.27Å; T196-C213 HydrophobicContact CG2-CB 3.53Å
197T95.7Very high94.4Very high49 Ų4975.3 Ų75.330%0.30141%0.41SS..SBendtrans-82.2-19.4167520000112.1V188 R189 V190 N195V188-T197 HydrophobicContact CG1-CG2 3.61Å; R189-T197 WeakPolarHBondContact O-CA 3.36Å; V190-T197 HydrophobicContact CG2-CG2 4.17Å; N195-T197 PolarHBondContact O-N 3.06Å
198K93.1Very high95Very high76 Ų7670.7 Ų70.733%0.3339%0.387SS..  trans-105.2130.6-175.6-46.6-168.9-166.2-165.30111.3S174 T178 T196S174-K198 VanDerWaalsContact C-NZ 3.25Å; S174-K198 PolarHBondContact O-NZ 2.76Å; S174-K198 PolarHBondContact OG-NZ 2.89Å; S174-K198 VanDerWaalsContact OG-NZ 3.16Å; T178-K198 HydrophobicContact CG2-CG 4.47Å; T178-K198 VanDerWaalsContact OG1-CD 3.26Å; T178-K198 WeakPolarHBondContact OG1-CD 3.3Å; T178-K198 WeakPolarHBondContact OG1-CE 3.46Å; T178-K198 WeakPolarHBondContact OG1-CG 3.42Å; T178-K198 PolarHBondContact OG1-NZ 2.87Å; T196-K198 WeakPolarHBondContact CG2-O 3.2Å; T196-K198 PolarHBondContact OG1-N 3.42Å; T196-K198 PolarHBondContact OG1-O 3.27Å
199T94.3Very high95.4Very high30 Ų3072.8 Ų72.818%0.18440%0.402CS..  trans-163.1140.5171.5-179.10000109.8L201 W202 C213 N214T199-L201 WeakPolarHBondContact CG2-O 3.29Å; T199-L201 PolarHBondContact O-N 2.97Å; T199-L201 PolarHBondContact OG1-N 3.13Å; T199-L201 PolarHBondContact OG1-O 3.34Å; T199-W202 HydrophobicContact CG2-CD2 3.49Å; T199-W202 VanDerWaalsContact CG2-CD2 3.49Å; T199-W202 HydrophobicContact CG2-CE3 4.02Å; T199-W202 HydrophobicContact CG2-CG 3.83Å; T199-W202 HydrophobicContact CG2-CH2 4.17Å; T199-W202 HydrophobicContact CG2-CZ2 3.68Å; T199-W202 HydrophobicContact CG2-CZ3 4.33Å; T199-C213 HydrophobicContact CG2-CB 4.24Å; T199-N214 PolarHBondContact OG1-N 3.33Å
200P95.5Very high95.6Very high126 Ų12672.8 Ų72.882%0.81841%0.406SS*.SBendtrans-69.9-15.717529.3-36000112.8N214P200-N214 HydrophobicContact CG-CB 4.48Å
201L95.5Very high95.6Very high85 Ų8570.1 Ų70.145%0.44539%0.39SS..SBendtrans-150.5134.7174.3-179.361.4000110.8T199 N214T199-L201 WeakPolarHBondContact CG2-O 3.29Å; T199-L201 PolarHBondContact O-N 2.97Å; T199-L201 PolarHBondContact OG1-N 3.13Å; T199-L201 PolarHBondContact OG1-O 3.34Å; L201-N214 HydrophobicContact CB-CB 4.47Å; L201-N214 PolarHBondContact O-N 3.42Å; L201-N214 VanDerWaalsContact O-N 3.15Å
202W96.7Very high95.6Very high48 Ų4870.1 Ų70.118%0.18239%0.39CS..EExtended strand (participates in β ladder)trans-89.4131.8168.6-70.196.2000110.5R189 C191 T199 K210 L212R189-W202 VanDerWaalsContact C-CH2 3.43Å; R189-W202 HydrophobicContact CB-CD2 4.3Å; R189-W202 HydrophobicContact CB-CE3 4.4Å; R189-W202 HydrophobicContact CB-CH2 3.74Å; R189-W202 HydrophobicContact CB-CZ2 3.59Å; R189-W202 HydrophobicContact CB-CZ3 4.13Å; R189-W202 WeakPolarHBondContact O-CH2 3.48Å; R189-W202 WeakPolarHBondContact O-CZ2 3.33Å; C191-W202 HydrophobicContact CB-CZ3 4.24Å; T199-W202 HydrophobicContact CG2-CD2 3.49Å; T199-W202 VanDerWaalsContact CG2-CD2 3.49Å; T199-W202 HydrophobicContact CG2-CE3 4.02Å; T199-W202 HydrophobicContact CG2-CG 3.83Å; T199-W202 HydrophobicContact CG2-CH2 4.17Å; T199-W202 HydrophobicContact CG2-CZ2 3.68Å; T199-W202 HydrophobicContact CG2-CZ3 4.33Å; W202-K210 HydrophobicContact CB-CB 3.87Å; W202-K210 HydrophobicContact CB-CG 4.07Å; W202-L212 CarbonylContact C-O 3.59Å; W202-L212 WeakPolarHBondContact CA-O 3.46Å
203R97.4Very high95.7Very high54 Ų5469.2 Ų69.220%0.20438%0.384CS..EExtended strand (participates in β ladder)trans-114.4149.4179.3-62.6-172.3178.4-72.92.3110K210 S211 L212 N214R203-K210 CarbonylContact O-C 3.35Å; R203-K210 WeakPolarHBondContact O-CA 3.21Å; R203-S211 PolarHBondContact O-N 3.49Å; R203-L212 HydrophobicContact CB-CB 4.42Å; R203-L212 PolarHBondContact N-O 3.09Å; R203-L212 PolarHBondContact O-N 2.94Å; R203-N214 PolarHBondContact NE-O 2.86Å; R203-N214 PolarHBondContact NE-OD1 3.15Å; R203-N214 PolarHBondContact NH2-OD1 2.91Å
204S96Very high95.7Very high84 Ų8467.7 Ų67.759%0.58738%0.375SS*.EExtended strand (participates in β ladder)trans-69.8139.3170.3-52.20000110.5
205G94.7Very high95.7Very high18 Ų1866.9 Ų66.919%0.18637%0.373CS..EExtended strand (participates in β ladder)trans-130.7-162.2179.300000111.7R207 G208 S211G205-R207 VanDerWaalsContact C-N 3.33Å; G205-G208 PolarHBondContact N-O 3.09Å; G205-G208 VanDerWaalsContact N-O 3.16Å; G205-G208 PolarHBondContact O-N 3.15Å; G205-S211 WeakPolarHBondContact CA-OG 3.2Å; G205-S211 PolarHBondContact N-OG 3.49Å; G205-S211 VanDerWaalsContact N-OG 3.12Å
206P94.6Very high95.8Very high90 Ų9061.5 Ų61.558%0.58435%0.345SS*.THydrogen-bonded Turntrans-72.9-28.7-176.630.3-30.5000111.8G208P206-G208 PolarHBondContact O-N 2.97Å
207R94.7Very high95.9Very high197 Ų19759.6 Ų59.674%0.74333%0.334SS*.THydrogen-bonded Turntrans-86.728177-62.3176.170-178.81112.8G205G205-R207 VanDerWaalsContact C-N 3.33Å
208G94.1Very high96Very high28 Ų2861 Ų6129%0.28934%0.339SS..EExtended strand (participates in β ladder)trans95.1-170.517600000115.9G205 P206 S211G205-G208 PolarHBondContact N-O 3.09Å; G205-G208 VanDerWaalsContact N-O 3.16Å; G205-G208 PolarHBondContact O-N 3.15Å; P206-G208 PolarHBondContact O-N 2.97Å; G208-S211 PolarHBondContact O-OG 2.8Å
209P94.6Very high96.2Very high110 Ų11064.6 Ų64.671%0.71435%0.351SS*.EExtended strand (participates in β ladder)trans-67143.9-174.128.2-35.1000112.4S211P209-S211 PolarHBondContact O-N 2.81Å; P209-S211 VanDerWaalsContact O-N 3.09Å
210K94.3Very high96.4Very high124 Ų12465.9 Ų65.954%0.53935%0.354SS..EExtended strand (participates in β ladder)trans54.424177.8-62.1179.8-178.8176.10115.2W202 R203W202-K210 HydrophobicContact CB-CB 3.87Å; W202-K210 HydrophobicContact CB-CG 4.07Å; R203-K210 CarbonylContact O-C 3.35Å; R203-K210 WeakPolarHBondContact O-CA 3.21Å
211S95.7Very high96.4Very high16 Ų1665.5 Ų65.511%0.11234%0.337CS..EExtended strand (participates in β ladder)trans-81.2-10.1-179.651.50000115.3C191 S192 R203 G205 G208 P209C191-S211 WeakPolarHBondContact CA-O 3.42Å; S192-S211 PolarHBondContact N-O 3.15Å; R203-S211 PolarHBondContact O-N 3.49Å; G205-S211 WeakPolarHBondContact CA-OG 3.2Å; G205-S211 PolarHBondContact N-OG 3.49Å; G205-S211 VanDerWaalsContact N-OG 3.12Å; G208-S211 PolarHBondContact O-OG 2.8Å; P209-S211 PolarHBondContact O-N 2.81Å; P209-S211 VanDerWaalsContact O-N 3.09Å
212L97.5Very high96.5Very high0 Ų069.4 Ų69.40%035%0.35CS..EExtended strand (participates in β ladder)trans-121.1147.4-177.4-64.8-179.9000113.5S192 D193 W202 R203 C216 Q220S192-L212 WeakPolarHBondContact OG-CD2 3.16Å; D193-L212 HydrophobicContact CB-CD2 4.14Å; D193-L212 WeakPolarHBondContact OD1-CD2 3.47Å; D193-L212 WeakPolarHBondContact OD2-CD2 3.27Å; W202-L212 CarbonylContact C-O 3.59Å; W202-L212 WeakPolarHBondContact CA-O 3.46Å; R203-L212 HydrophobicContact CB-CB 4.42Å; R203-L212 PolarHBondContact N-O 3.09Å; R203-L212 PolarHBondContact O-N 2.94Å; L212-C216 HydrophobicContact CD2-CB 4.19Å; L212-Q220 HydrophobicContact CD1-CB 4.42Å
213C98.1Very high96.5Very high7 Ų769.4 Ų69.45%0.04736%0.36CS..EExtended strand (participates in β ladder)trans-69.2167.8164.575.10000111.6C191 T196 T199 A215 C216 G217C191-C213 HydrophobicContact CB-CB 3.96Å; C191-C213 PolarHBondContact SG-N 3.3Å; C191-C213 VanDerWaalsContact SG-SG 3.6Å; T196-C213 HydrophobicContact CG2-CB 3.53Å; T199-C213 HydrophobicContact CG2-CB 4.24Å; C213-A215 VanDerWaalsContact C-N 3.32Å; C213-A215 PolarHBondContact O-N 3.3Å; C213-C216 PolarHBondContact O-N 3.26Å; C213-C216 PolarHBondContact SG-N 3.04Å; C213-C216 VanDerWaalsContact SG-N 3.36Å; C213-C216 VanDerWaalsContact SG-SG 3.68Å; C213-G217 PolarHBondContact O-N 3.46Å
214N98.1Very high96.4Very high52 Ų5274.4 Ų74.428%0.27838%0.379SS..Hα-helixtrans-56.1-46.1-179.6-176.228.5000111.7T199 P200 L201 R203 I218T199-N214 PolarHBondContact OG1-N 3.33Å; P200-N214 HydrophobicContact CG-CB 4.48Å; L201-N214 HydrophobicContact CB-CB 4.47Å; L201-N214 PolarHBondContact O-N 3.42Å; L201-N214 VanDerWaalsContact O-N 3.15Å; R203-N214 PolarHBondContact NE-O 2.86Å; R203-N214 PolarHBondContact NE-OD1 3.15Å; R203-N214 PolarHBondContact NH2-OD1 2.91Å; N214-I218 VanDerWaalsContact O-CG1 3.29Å; N214-I218 WeakPolarHBondContact O-CG1 3.22Å; N214-I218 PolarHBondContact O-N 3.27Å; N214-I218 VanDerWaalsContact O-N 3.09Å
215A98.1Very high96.4Very high47 Ų4779.3 Ų79.339%0.38839%0.385SS..Hα-helixtrans-67.3-47.9-176.900000113C213 I218 R219C213-A215 VanDerWaalsContact C-N 3.32Å; C213-A215 PolarHBondContact O-N 3.3Å; A215-I218 PolarHBondContact O-N 3.28Å; A215-R219 PolarHBondContact O-N 3.18Å
216C98.1Very high96.5Very high5 Ų581.3 Ų81.33%0.03440%0.4CS..Hα-helixtrans-67.1-41.9178.1-66.90000111.9D193 L212 C213 I218 R219 Q220D193-C216 HydrophobicContact CB-CB 3.99Å; L212-C216 HydrophobicContact CD2-CB 4.19Å; C213-C216 PolarHBondContact O-N 3.26Å; C213-C216 PolarHBondContact SG-N 3.04Å; C213-C216 VanDerWaalsContact SG-N 3.36Å; C213-C216 VanDerWaalsContact SG-SG 3.68Å; C216-I218 VanDerWaalsContact C-N 3.26Å; C216-I218 PolarHBondContact O-N 2.87Å; C216-R219 PolarHBondContact O-N 3.08Å; C216-R219 VanDerWaalsContact O-N 3.13Å; C216-R219 PolarHBondContact SG-NH2 3.12Å; C216-Q220 WeakPolarHBondContact O-CB 3.48Å; C216-Q220 PolarHBondContact O-N 3.22Å
217G97.7Very high96.5Very high5 Ų583.6 Ų83.65%0.05240%0.404CS..Hα-helixtrans-65-25.7176.100000114.2C213 R221C213-G217 PolarHBondContact O-N 3.46Å; G217-R221 WeakPolarHBondContact O-CB 3.37Å; G217-R221 PolarHBondContact O-N 2.88Å
218I97.7Very high96.5Very high79 Ų7978.9 Ų78.941%0.40540%0.397SS..Hα-helixtrans-76-44.8169.1-69.8-65.2000111.2N214 A215 C216 R221 K222N214-I218 VanDerWaalsContact O-CG1 3.29Å; N214-I218 WeakPolarHBondContact O-CG1 3.22Å; N214-I218 PolarHBondContact O-N 3.27Å; N214-I218 VanDerWaalsContact O-N 3.09Å; A215-I218 PolarHBondContact O-N 3.28Å; C216-I218 VanDerWaalsContact C-N 3.26Å; C216-I218 PolarHBondContact O-N 2.87Å; I218-R221 PolarHBondContact O-N 3.37Å; I218-K222 PolarHBondContact O-N 3.16Å
219R97.8Very high96.6Very high151 Ų15180.4 Ų80.457%0.5741%0.407SS*.Hα-helixtrans-56.7-52174.7-77-174.7-77.4-103.15.7111.8A215 C216 R221 K222 A223A215-R219 PolarHBondContact O-N 3.18Å; C216-R219 PolarHBondContact O-N 3.08Å; C216-R219 VanDerWaalsContact O-N 3.13Å; C216-R219 PolarHBondContact SG-NH2 3.12Å; R219-R221 VanDerWaalsContact C-N 3.32Å; R219-R221 PolarHBondContact O-N 3.37Å; R219-K222 PolarHBondContact O-N 3.25Å; R219-K222 VanDerWaalsContact O-N 3.15Å; R219-A223 WeakPolarHBondContact O-CB 3.46Å; R219-A223 PolarHBondContact O-N 2.77Å
220Q97Very high96.6Very high57 Ų5778 Ų7827%0.26640%0.397SS..Hα-helixtrans-61.3-39.4179-159.2-159.627.900111.8L212 C216 A223 R224L212-Q220 HydrophobicContact CD1-CB 4.42Å; C216-Q220 WeakPolarHBondContact O-CB 3.48Å; C216-Q220 PolarHBondContact O-N 3.22Å; Q220-A223 PolarHBondContact O-N 2.99Å; Q220-R224 WeakPolarHBondContact O-CB 3.34Å; Q220-R224 PolarHBondContact O-N 2.68Å
221R96.2Very high96.6Very high119 Ų11975 Ų7545%0.44940%0.395SS..Hα-helixtrans-65.2-39175.3-176.8-179.3-66.7178-6.1112.5G217 I218 R219 R225G217-R221 WeakPolarHBondContact O-CB 3.37Å; G217-R221 PolarHBondContact O-N 2.88Å; I218-R221 PolarHBondContact O-N 3.37Å; R219-R221 VanDerWaalsContact C-N 3.32Å; R219-R221 PolarHBondContact O-N 3.37Å; R221-R225 WeakPolarHBondContact O-CB 3.43Å; R221-R225 WeakPolarHBondContact O-CG 3.46Å; R221-R225 PolarHBondContact O-N 3.44Å; R221-R225 VanDerWaalsContact O-N 3.11Å
222K97.3Very high96.4Very high167 Ų16777.2 Ų77.273%0.72641%0.414SS*.Hα-helixtrans-67.2-46.8175-170.9178.5179.2-177.10110.7I218 R219 R225 A226I218-K222 PolarHBondContact O-N 3.16Å; R219-K222 PolarHBondContact O-N 3.25Å; R219-K222 VanDerWaalsContact O-N 3.15Å; K222-R225 PolarHBondContact O-N 3.32Å; K222-A226 PolarHBondContact O-N 3.09Å
223A96.3Very high96.2Very high47 Ų4780 Ų8039%0.38844%0.437SS..Hα-helixtrans-58.7-48.8176.700000112R219 Q220 R225 A226 M227R219-A223 WeakPolarHBondContact O-CB 3.46Å; R219-A223 PolarHBondContact O-N 2.77Å; Q220-A223 PolarHBondContact O-N 2.99Å; A223-R225 VanDerWaalsContact C-N 3.33Å; A223-R225 PolarHBondContact O-N 3.07Å; A223-A226 PolarHBondContact O-N 2.92Å; A223-A226 VanDerWaalsContact O-N 3.14Å; A223-M227 WeakPolarHBondContact O-CG 3.45Å; A223-M227 PolarHBondContact O-N 3.48Å
224R95.5Very high95.8Very high160 Ų16081.8 Ų81.860%0.60445%0.452SS*.Hα-helixtrans-62.8-36.5177.8-167.6171.876.1-160.110112.9Q220 V228Q220-R224 WeakPolarHBondContact O-CB 3.34Å; Q220-R224 PolarHBondContact O-N 2.68Å; R224-V228 WeakPolarHBondContact O-CG2 3.34Å; R224-V228 PolarHBondContact O-N 3.41Å; R224-V228 VanDerWaalsContact O-N 3.07Å
225R96.2Very high95.4Very high187 Ų18782.8 Ų82.871%0.70647%0.468SS*.Hα-helixtrans-65.5-42.6172.6-79.6178.8170.4-168.9-5112R221 K222 A223 V228 A229R221-R225 WeakPolarHBondContact O-CB 3.43Å; R221-R225 WeakPolarHBondContact O-CG 3.46Å; R221-R225 PolarHBondContact O-N 3.44Å; R221-R225 VanDerWaalsContact O-N 3.11Å; K222-R225 PolarHBondContact O-N 3.32Å; A223-R225 VanDerWaalsContact C-N 3.33Å; A223-R225 PolarHBondContact O-N 3.07Å; R225-V228 PolarHBondContact O-N 3.48Å; R225-A229 WeakPolarHBondContact O-CB 3.43Å; R225-A229 PolarHBondContact O-N 3.29Å
226A96.3Very high94.9Very high60 Ų6084.4 Ų84.450%0.49648%0.481SS..Hα-helixtrans-64.4-42176.300000112K222 A223 A229 A230K222-A226 PolarHBondContact O-N 3.09Å; A223-A226 PolarHBondContact O-N 2.92Å; A223-A226 VanDerWaalsContact O-N 3.14Å; A226-A229 PolarHBondContact O-N 3.29Å; A226-A230 WeakPolarHBondContact O-CB 3.41Å; A226-A230 PolarHBondContact O-N 2.99Å
227M94.9Very high94.2Very high137 Ų13788.5 Ų88.568%0.67551%0.51SS*.Hα-helixtrans-61.2-44.1175.1-72.7167.9165.100112.4A223 A230 A231A223-M227 WeakPolarHBondContact O-CG 3.45Å; A223-M227 PolarHBondContact O-N 3.48Å; M227-A230 PolarHBondContact O-N 2.93Å; M227-A231 WeakPolarHBondContact O-CB 3.37Å; M227-A231 PolarHBondContact O-N 3.27Å
228V95.6Very high93.1Very high98 Ų9894.3 Ų94.359%0.59454%0.54SS*.Hα-helixtrans-65.9-39.6175.9171.20000111.6R224 R225 A231 A232R224-V228 WeakPolarHBondContact O-CG2 3.34Å; R224-V228 PolarHBondContact O-N 3.41Å; R224-V228 VanDerWaalsContact O-N 3.07Å; R225-V228 PolarHBondContact O-N 3.48Å; V228-A231 PolarHBondContact O-N 3.27Å; V228-A232 WeakPolarHBondContact O-CB 3.42Å; V228-A232 PolarHBondContact O-N 3.11Å
229A94.8Very high91.3Very high60 Ų6094.1 Ų94.150%0.49656%0.557SS.*Hα-helixtrans-65.7-42.2175.700000112.4R225 A226 A232 A233R225-A229 WeakPolarHBondContact O-CB 3.43Å; R225-A229 PolarHBondContact O-N 3.29Å; A226-A229 PolarHBondContact O-N 3.29Å; A229-A232 PolarHBondContact O-N 3.08Å; A229-A233 WeakPolarHBondContact O-CB 3.2Å; A229-A233 PolarHBondContact O-N 2.81Å
230A94.7Very high89.1Confident61 Ų6190 Ų9050%0.50456%0.562SS.*Hα-helixtrans-65.6-40.9175.800000112.1A226 M227 A233 A234A226-A230 WeakPolarHBondContact O-CB 3.41Å; A226-A230 PolarHBondContact O-N 2.99Å; M227-A230 PolarHBondContact O-N 2.93Å; A230-A233 PolarHBondContact O-N 3.21Å; A230-A234 WeakPolarHBondContact O-CB 3.43Å; A230-A234 PolarHBondContact O-N 3.14Å
231A94.3Very high87.1Confident61 Ų6191.1 Ų91.150%0.50458%0.581SS.*Hα-helixtrans-64.2-39.4174.400000112.2M227 V228 A234 A235M227-A231 WeakPolarHBondContact O-CB 3.37Å; M227-A231 PolarHBondContact O-N 3.27Å; V228-A231 PolarHBondContact O-N 3.27Å; A231-A234 PolarHBondContact O-N 3.3Å; A231-A235 WeakPolarHBondContact O-CB 3.35Å; A231-A235 PolarHBondContact O-N 3.07Å
232A93.2Very high85.4Confident61 Ų6190.7 Ų90.750%0.50459%0.593SS.*Hα-helixtrans-66.6-39.7174.300000112.3V228 A229 A235 A236V228-A232 WeakPolarHBondContact O-CB 3.42Å; V228-A232 PolarHBondContact O-N 3.11Å; A229-A232 PolarHBondContact O-N 3.08Å; A232-A235 PolarHBondContact O-N 2.93Å; A232-A236 PolarHBondContact O-N 3.11Å
233A91.9Very high83.6Confident60 Ų6088.7 Ų88.750%0.49660%0.597SS.*Hα-helixtrans-64.8-43.7174.700000112A229 A230 A236 S237A229-A233 WeakPolarHBondContact O-CB 3.2Å; A229-A233 PolarHBondContact O-N 2.81Å; A230-A233 PolarHBondContact O-N 3.21Å; A233-A236 PolarHBondContact O-N 2.86Å; A233-S237 PolarHBondContact O-N 3.29Å; A233-S237 PolarHBondContact O-OG 2.85Å
234A90.9Very high81.4Confident44 Ų4494.6 Ų94.636%0.36462%0.617SS.*Hα-helixtrans-65.9-35.717600000112.8A230 A231 A236 S237 N238A230-A234 WeakPolarHBondContact O-CB 3.43Å; A230-A234 PolarHBondContact O-N 3.14Å; A231-A234 PolarHBondContact O-N 3.3Å; A234-A236 VanDerWaalsContact C-N 3.33Å; A234-S237 WeakPolarHBondContact CA-OG 3.35Å; A234-S237 PolarHBondContact O-OG 2.95Å; A234-S237 VanDerWaalsContact O-OG 3.09Å; A234-N238 WeakPolarHBondContact O-CB 3.46Å; A234-N238 PolarHBondContact O-N 3.14Å; A234-N238 VanDerWaalsContact O-N 3.16Å; A234-N238 PolarHBondContact O-ND2 3.37Å
235A89.3Confident79.2Confident73 Ų7391.3 Ų91.360%0.60362%0.624SS**Hα-helixtrans-65.6-36.9172.300000112A231 A232A231-A235 WeakPolarHBondContact O-CB 3.35Å; A231-A235 PolarHBondContact O-N 3.07Å; A232-A235 PolarHBondContact O-N 2.93Å
236A86.9Confident77Confident80 Ų8088.7 Ų88.766%0.66163%0.628SS**Hα-helixtrans-71.4-40.9175.600000112.8A232 A233 A234 N238A232-A236 PolarHBondContact O-N 3.11Å; A233-A236 PolarHBondContact O-N 2.86Å; A234-A236 VanDerWaalsContact C-N 3.33Å; A236-N238 PolarHBondContact O-N 3.2Å
237S84.7Confident74.6Confident92 Ų9291.5 Ų91.564%0.64365%0.645SS**Hα-helixtrans-69.3-30.9-179.863.80000113.4A233 A234 G239A233-S237 PolarHBondContact O-N 3.29Å; A233-S237 PolarHBondContact O-OG 2.85Å; A234-S237 WeakPolarHBondContact CA-OG 3.35Å; A234-S237 PolarHBondContact O-OG 2.95Å; A234-S237 VanDerWaalsContact O-OG 3.09Å; S237-G239 VanDerWaalsContact C-N 3.31Å; S237-G239 PolarHBondContact O-N 3.18Å
238N74.1Confident72.3Confident127 Ų12788.1 Ų88.168%0.67964%0.644SS**THydrogen-bonded Turntrans-76.7-13.8-174.9-74.5-14.4000114.2A234 A236 G240A234-N238 WeakPolarHBondContact O-CB 3.46Å; A234-N238 PolarHBondContact O-N 3.14Å; A234-N238 VanDerWaalsContact O-N 3.16Å; A234-N238 PolarHBondContact O-ND2 3.37Å; A236-N238 PolarHBondContact O-N 3.2Å; N238-G240 PolarHBondContact O-N 2.98Å
239G59.4Low70.1Confident74 Ų7490.1 Ų90.176%0.76366%0.657SS**  trans57.4-0.8167.800000118.1S237S237-G239 VanDerWaalsContact C-N 3.31Å; S237-G239 PolarHBondContact O-N 3.18Å
240G50.6Low67.6Low65 Ų6591.3 Ų91.367%0.6767%0.667SS**  trans-101.7108.1-159.400000113.4N238N238-G240 PolarHBondContact O-N 2.98Å
241A56.3Low65.3Low81 Ų8193.8 Ų93.867%0.66968%0.676SS**  trans36.3134.1157.100000119.9
242P59.4Low63.4Low109 Ų10998.3 Ų98.371%0.70869%0.686SS**  trans-58.6146.8161.830-34.8000109.5Q244P242-Q244 PolarHBondContact O-N 2.78Å
243P59.4Low61.5Low126 Ų126102.8 Ų102.882%0.81870%0.697SS**  trans-60.6110.3176.525.6-33.5000108.8A245P243-A245 PolarHBondContact O-N 3.22Å; P243-A245 VanDerWaalsContact O-N 3.11Å
244Q51.9Low59.7Low170 Ų170107.7 Ų107.779%0.79471%0.71SS**  trans-62.5118.3174.3-69.3-169.16.600107.9P242 V246P242-Q244 PolarHBondContact O-N 2.78Å; Q244-V246 VanDerWaalsContact C-N 3.29Å; Q244-V246 PolarHBondContact O-N 2.96Å
245A47.5Very low57.6Low91 Ų91110.6 Ų110.675%0.75272%0.724SS**  trans-68.590.2177.600000109P243 S247P243-A245 PolarHBondContact O-N 3.22Å; P243-A245 VanDerWaalsContact O-N 3.11Å; A245-S247 VanDerWaalsContact C-N 3.29Å; A245-S247 PolarHBondContact O-N 3.49Å
246V51.7Low55.5Low132 Ų132117 Ų11780%0.874%0.739SS**  trans-67.589173.6-760000109.2Q244 G248Q244-V246 VanDerWaalsContact C-N 3.29Å; Q244-V246 PolarHBondContact O-N 2.96Å; V246-G248 PolarHBondContact O-N 3.34Å
247S45.1Very low53.7Low120 Ų120118.6 Ų118.684%0.83974%0.742SS**  trans-68.366.2174.5-64.30000111.2A245 V249A245-S247 VanDerWaalsContact C-N 3.29Å; A245-S247 PolarHBondContact O-N 3.49Å; S247-V249 PolarHBondContact O-N 3.05Å
248G46.6Very low52.2Low65 Ų65123.9 Ų123.967%0.6775%0.754SS**  trans-87.193.3-175.200000113V246V246-G248 PolarHBondContact O-N 3.34Å
249V48.6Very low51Low140 Ų140123.5 Ų123.585%0.84876%0.758SS**  trans36.1112.3145.5-175.40000118.5S247S247-V249 PolarHBondContact O-N 3.05Å
250A43.1Very low50.4Low86 Ų86124.2 Ų124.271%0.71176%0.757SS**  trans-18157159.200000120.7
251T46.4Very low50.3Low113 Ų113133 Ų13369%0.69377%0.77SS**  -172.3141.5120.1-82.20000113.5
252Q54.9Low49.8Very low155 Ų155137.8 Ų137.872%0.72478%0.775SS**  trans64.1111.3167.6-75.916672.500118.4
253Q53.1Low49.4Very low155 Ų155139.6 Ų139.672%0.72477%0.774SS**  74.8134.386.2-70.7174.419.900113.2
254Q53.1Low48.4Very low164 Ų164143.3 Ų143.377%0.76678%0.778SS**  cis-139.3158.634-78.5-78.9-21.700113.8
255P46.8Very low47.7Very low104 Ų104146.1 Ų146.168%0.67578%0.781SS**  trans-114.6150.3176.939.1-29.9000115.7
256K46Very low47.9Very low209 Ų209146.5 Ų146.591%0.90978%0.778SS**  trans-166.6146.8142.8-113161.4-173.8172.10113.4
257P49.5Very low47.5Very low112 Ų112147.1 Ų147.173%0.72778%0.777SS**  trans-116.2162.7-17541.2-33000115
258K52.8Low47.3Very low204 Ų204146.2 Ų146.289%0.88778%0.777SS**  -177.6165.6129.8-98.4167.2-178.7-175.20111.4
259P48.6Very low47.5Very low118 Ų118147.3 Ų147.377%0.76678%0.779SS**  trans-119.4-176.7-144.244.5-38.3000117.2
260A46.8Very low47.3Very low89 Ų89147.6 Ų147.674%0.73678%0.776SS**  trans105.5129.9152.600000118.2
261R49.3Very low47.6Very low251 Ų251155.4 Ų155.495%0.94779%0.787SS**  trans55.6120.4171.7-59.9-179.4171.5-146.7-2.7114.8
262K44.4Very low47.8Very low180 Ų180154.4 Ų154.478%0.78378%0.784SS**  -177.4161.469.4-159.1-176.7-176.6-135.40110.5
263E51.9Low47.8Very low147 Ų147155 Ų15569%0.68779%0.792SS**  trans49.7113.9160.8-83.7166.596.300121.6R265E263-R265 PolarHBondContact O-N 2.89Å
264K37.4Very low47.4Very low205 Ų205152.3 Ų152.389%0.89179%0.788SS**  trans-76.180.9169.1-178.5-175.1174.9178.30111.3S266K264-S266 PolarHBondContact O-N 2.81Å
265R38.7Very low47Very low229 Ų229153.7 Ų153.786%0.86479%0.791SS**  trans-84.788.5168.6-173173.5179.4162.6-0.4110.1E263E263-R265 PolarHBondContact O-N 2.89Å
266S50.8Low46.9Very low98 Ų98158.7 Ų158.769%0.68580%0.803SS**  trans-73.7127.417052.90000110.2K264K264-S266 PolarHBondContact O-N 2.81Å
267D44.3Very low47.4Very low146 Ų146156.9 Ų156.978%0.78180%0.795SS**  trans-72.9160.1-170.4-123.5-53.7000115A269D267-A269 PolarHBondContact O-N 3.1Å
268A41Very low47.3Very low101 Ų101162.7 Ų162.784%0.83580%0.802SS**  trans-9094-166.800000113.1
269A50Low46.9Very low88 Ų88159.5 Ų159.573%0.72780%0.804SS**  trans-130.2112.4169.800000112.7D267 R271D267-A269 PolarHBondContact O-N 3.1Å; A269-R271 PolarHBondContact O-N 3.14Å
270D45.4Very low46.9Very low145 Ų145161.6 Ų161.678%0.77580%0.801SS**  trans39.969.4152.4-142.5-10.5000118.7
271R49.3Very low47Very low251 Ų251165.2 Ų165.295%0.94781%0.805SS**  trans-128.750.1170.6-130.9-179.1-173.4-158.70.6114.3A269A269-R271 PolarHBondContact O-N 3.14Å
272S49.5Very low46.8Very low91 Ų91158.2 Ų158.264%0.63679%0.79SS**  trans-119.830.4177.958.60000114.9P274S272-P274 VanDerWaalsContact O-CD 3.26Å; S272-P274 WeakPolarHBondContact O-CD 3.38Å
273L55Low46.9Very low169 Ų169154.8 Ų154.889%0.88578%0.783SS**  trans-102.675167.7-68.1176.6000114.6
274P45.3Very low46.7Very low97 Ų97152 Ų15263%0.6378%0.776SS**  trans-127.552.6166.542.9-32.4000114.4S272 K276S272-P274 VanDerWaalsContact O-CD 3.26Å; S272-P274 WeakPolarHBondContact O-CD 3.38Å; P274-K276 VanDerWaalsContact C-N 3.27Å; P274-K276 PolarHBondContact O-N 2.89Å
275F45Very low47.2Very low193 Ų193148.7 Ų148.785%0.84677%0.769SS**  trans-91.940.8168.9-81.3-76.9000113.8K277F275-K277 PolarHBondContact O-N 3.34Å
276K44.4Very low47.5Very low210 Ų210146.2 Ų146.291%0.91377%0.766SS**  trans-78.451.8170.3-156.3170.4-174.7176.90111.1P274P274-K276 VanDerWaalsContact C-N 3.27Å; P274-K276 PolarHBondContact O-N 2.89Å
277K56Low47Very low171 Ų171145.7 Ų145.774%0.74377%0.768SS**  trans-110.984.7-180-79.4-168.5174.8-176.20112F275 C279F275-K277 PolarHBondContact O-N 3.34Å; K277-C279 PolarHBondContact O-N 3.44Å
278R47.6Very low46.8Very low233 Ų233144 Ų14488%0.87978%0.775SS**  trans26.777.9143.9-168.1-177.5-71.9176.5-3.2116.3K280R278-K280 HydrophobicContact CG-CB 4.02Å; R278-K280 PolarHBondContact O-N 3.36Å; R278-K280 VanDerWaalsContact O-N 3.15Å
279C43.6Very low46.7Very low137 Ų137142.8 Ų142.893%0.92677%0.771SS**  trans-77.782.4148.5-69.20000107.8K277 M281K277-C279 PolarHBondContact O-N 3.44Å; C279-M281 PolarHBondContact O-N 2.92Å
280K48.7Very low46.2Very low162 Ų162143.5 Ų143.570%0.70478%0.777SS**  trans-72.4107.4167.3171.872.7175.9-1790105.9R278 V282R278-K280 HydrophobicContact CG-CB 4.02Å; R278-K280 PolarHBondContact O-N 3.36Å; R278-K280 VanDerWaalsContact O-N 3.15Å; K280-V282 HydrophobicContact CG-CG2 4.08Å; K280-V282 PolarHBondContact O-N 2.97Å
281M49Very low45.9Very low166 Ų166141.3 Ų141.382%0.81878%0.779SS**  trans-59.8109.4164.1-171.2113.27700106.8C279C279-M281 PolarHBondContact O-N 2.92Å
282V46.7Very low45.5Very low104 Ų104134.2 Ų134.263%0.6378%0.775SS**  trans-91.1101.6166.8-176.30000105K280 V284K280-V282 HydrophobicContact CG-CG2 4.08Å; K280-V282 PolarHBondContact O-N 2.97Å; V282-V284 HydrophobicContact CB-CG2 4.49Å; V282-V284 HydrophobicContact CG1-CG2 3.76Å; V282-V284 PolarHBondContact O-N 2.96Å
283V46.1Very low45.2Very low107 Ų107133.7 Ų133.765%0.64878%0.775SS**  trans-62.6117.8156.5177.30000105
284V47.3Very low44.7Very low88 Ų88132.2 Ų132.253%0.53377%0.774SS.*  trans-99.998.2171.9-176.50000106.1V282 H286V282-V284 HydrophobicContact CB-CG2 4.49Å; V282-V284 HydrophobicContact CG1-CG2 3.76Å; V282-V284 PolarHBondContact O-N 2.96Å; V284-H286 VanDerWaalsContact C-N 3.35Å; V284-H286 WeakPolarHBondContact CG1-NE2 3.45Å; V284-H286 PolarHBondContact O-CD2 3.44Å; V284-H286 PolarHBondContact O-N 3.48Å
285D47Very low44.6Very low137 Ų137131.3 Ų131.373%0.73377%0.774SS**  trans-67.993.1172.6-64-74.3000109.2A287D285-A287 VanDerWaalsContact C-N 3.31Å; D285-A287 PolarHBondContact O-N 2.91Å
286H45Very low44.8Very low177 Ų177128.6 Ų128.682%0.81977%0.774SS**  trans-75.380.6177.8-79.4-79.4000110.9V284V284-H286 VanDerWaalsContact C-N 3.35Å; V284-H286 WeakPolarHBondContact CG1-NE2 3.45Å; V284-H286 PolarHBondContact O-CD2 3.44Å; V284-H286 PolarHBondContact O-N 3.48Å
287A41.3Very low45.2Very low86 Ų86124.7 Ų124.771%0.71177%0.77SS**  trans-132.2127.8177.600000112.6D285D285-A287 VanDerWaalsContact C-N 3.31Å; D285-A287 PolarHBondContact O-N 2.91Å
288A39.2Very low44.6Very low112 Ų112125.3 Ų125.393%0.92678%0.775SS**  trans66.4147.7171.900000118.7
289G40.2Very low44.3Very low74 Ų74118.5 Ų118.576%0.76377%0.769SS**  trans87.377.9177.900000114.1
290A39.2Very low44.3Very low103 Ų103116.8 Ų116.885%0.85177%0.765SS**  cis85.1135.747.800000115.1
291A39.3Very low44Very low99 Ų99113.9 Ų113.982%0.81877%0.771SS**  trans80.2118.8169.700000120.9
292A40.1Very low43.7Very low103 Ų103110.8 Ų110.885%0.85177%0.772SS**  trans67.1146.2146.300000121.7
293A44.3Very low43.3Very low79 Ų79117 Ų11765%0.65378%0.784SS**  cis-169.9152.1-22.700000110.8
294T43.4Very low43.1Very low138 Ų138117.6 Ų117.685%0.84779%0.793SS**  trans51.3147.2147.250.60000122.3
295A42.9Very low42.9Very low78 Ų78119.1 Ų119.165%0.64580%0.803SS**  cis-167.6145-15.100000113.2
296T50.3Low42.8Very low136 Ų136122.1 Ų122.183%0.83481%0.809SS**  trans48.8146.1140.256.60000125.8
297P52.9Low42.7Very low129 Ų129120 Ų12084%0.83880%0.804SS**  trans-118.2-171.3171.645.2-34.6000115.2
298E42Very low42.9Very low183 Ų183124.9 Ų124.986%0.85581%0.812SS**  trans-142.9129.4174.9-165.7171.2166.900108.9
299A42.4Very low43.2Very low91 Ų91123.8 Ų123.875%0.75280%0.803SS**  69.2154.469.600000113.9
300A43Very low43.4Very low101 Ų101127.1 Ų127.184%0.83580%0.803SS**  cis-169.3166.5-1400000107
301A43.3Very low43.6Very low100 Ų100129.6 Ų129.683%0.82680%0.797SS**  cis-156.5-147.4-13.400000106.5
302A41.5Very low43.9Very low101 Ų101130.5 Ų130.584%0.83579%0.792SS**  cis-157.8172.82.900000114.5
303R38.8Very low43.9Very low234 Ų234131.2 Ų131.288%0.88379%0.791SS**  trans-66.2165.7178.9-65.3158.6166.5-103.2-5.3118.7
304S42.5Very low43.9Very low120 Ų120131.2 Ų131.284%0.83980%0.798SS**  trans-160.8163136.8-160.60000112.6
305T41.7Very low44Very low121 Ų121131.8 Ų131.874%0.74280%0.796SS**  trans-152.5153.9-165.547.30000114.7
306K45.6Very low44.4Very low200 Ų200137 Ų13787%0.8780%0.804SS**  trans-172.7168.5169.6-157.8166.9-175.61780111.8
307D42.5Very low44.1Very low132 Ų132138.2 Ų138.271%0.70680%0.8SS**  -159.2164.7-72.6-98.2-60000111
308Q46.2Very low43.5Very low188 Ų188138 Ų13888%0.87980%0.796SS**  trans69.6141.5170.1-64.4168.51.100117.5
309A45.6Very low43.7Very low89 Ų89135.6 Ų135.674%0.73679%0.794SS**  cis96.3144.52300000114.3
310D43.2Very low43.3Very low144 Ų144135.8 Ų135.877%0.7780%0.796SS**  cis-158.2-159.98.8-151.6-95.7000113.5
311H44.9Very low43.7Very low155 Ų155136.9 Ų136.972%0.71879%0.794SS**  trans78.3125.6169.4-96.9-129.3000119.3
312V45.6Very low43.4Very low119 Ų119137.1 Ų137.172%0.72180%0.796SS**  82.6139.156.2162.90000113.2
313S39.7Very low43.5Very low118 Ų118137 Ų13783%0.82580%0.795SS**  cis-173.2159.4-20.9-178.70000108.2
314G43.7Very low43.6Very low78 Ų78130.7 Ų130.780%0.80479%0.793SS**  trans173.1123.217300000116.3
315D46.4Very low43.6Very low150 Ų150133.5 Ų133.580%0.80280%0.795SS**  trans-128.3145.9-171.3-150.1-39000111.4
316K49.9Very low44Very low189 Ų189139.8 Ų139.882%0.82281%0.805SS**  trans-176.896.2160.4-106.4156.8-165.6-57.90117.2
317Q45.6Very low43.7Very low161 Ų161135.8 Ų135.875%0.75280%0.802SS**  trans30.7123.7133.7-71.2-169-80.400124.5
318V40.6Very low44.2Very low123 Ų123137.8 Ų137.875%0.74581%0.812SS**  60.9125.7116.9-177.20000121.3
319V44.9Very low44.1Very low133 Ų133134.7 Ų134.781%0.80680%0.801SS**  -172.7142.3115.7148.30000110.2
320A34.9Very low44.1Very low96 Ų96138.1 Ų138.179%0.79380%0.802SS**  trans-153.8142.1163.300000111
321P51.5Low44.5Very low124 Ų124136.1 Ų136.181%0.80580%0.8SS**  trans-135.4158152.337-23.8000113.5
322A37.2Very low44.5Very low104 Ų104137.4 Ų137.486%0.8681%0.806SS**  trans-106.5153.817500000111.7
323A43Very low44.7Very low99 Ų99138.9 Ų138.982%0.81881%0.808SS**  trans-156.3149.5171.400000114.7
324A41.6Very low45Very low101 Ų101137.2 Ų137.284%0.83580%0.801SS**  trans65.511515200000120.9
325M42.3Very low45.3Very low179 Ų179139.6 Ų139.688%0.88280%0.801SS**  trans-76.4158.6160-49.1153.285.500110.8
326R49.1Very low45.8Very low254 Ų254137.9 Ų137.996%0.95880%0.798SS**  trans-160.9144.1138-106.1139.2-164.2-110.7-3.7112.1
327S38.7Very low45.9Very low115 Ų115134.5 Ų134.580%0.80480%0.795SS**  trans-95.4153.6173.4-164.20000109.9
328L54.9Low46.6Very low174 Ų174132.9 Ų132.991%0.91180%0.799SS**  trans-138.9150.3167.6-97.6166.9000109.6
329D43.3Very low47.2Very low124 Ų124132.4 Ų132.466%0.66380%0.801SS**  trans-128.2173.1-169.2-178.826.5000109.5
330Q45.4Very low47.1Very low160 Ų160131 Ų13175%0.74880%0.803SS**  trans64.4150.1-168-81.479.182.900114
331S51.6Low48Very low103 Ų103132.8 Ų132.872%0.7280%0.804SS**  cis-141159.22151.90000114.7
332E44.9Very low47.8Very low181 Ų181131.8 Ų131.885%0.84680%0.8SS**  trans-82.8139.4173.7-177.1-175.3114.400111.6
333I50.1Low48.1Very low150 Ų150132.6 Ų132.677%0.76980%0.799SS**  trans-137.6115.5164.8-58.9-179.4000108.6
334A45Very low48.4Very low83 Ų83136.7 Ų136.769%0.68680%0.799SS**  trans-103.2137.4176.100000111.6
335T50.6Low48.8Very low128 Ų128141.1 Ų141.179%0.78580%0.802SS**  trans-149.8154.3166.113.80000110.3
336P56.9Low49.2Very low114 Ų114136.4 Ų136.474%0.7479%0.791SS**PPolyproline II helixtrans-84.1163.5-156.132.6-37.4000115.7
337P52.6Low49.4Very low119 Ų119129.1 Ų129.177%0.77379%0.785SS**PPolyproline II helixtrans-76.4151.7-175.631.5-36.8000114.1
338P60.5Low49.8Very low127 Ų127132.9 Ų132.983%0.82579%0.787SS**PPolyproline II helixtrans-77.9151.3177.232.2-35.3000113.5
339S51.2Low50.2Low113 Ų113128.2 Ų128.279%0.7977%0.767SS**PPolyproline II helixtrans-64.1154.3-177.1-46.80000114.6
340A44.4Very low51Low102 Ų102126 Ų12684%0.84377%0.766SS**PPolyproline II helixtrans-63.1133.7-179.600000113.8
341V52.6Low52.6Low135 Ų135124.4 Ų124.482%0.81876%0.763SS**  trans-138.7124.4168.3-76.60000112
342S47.3Very low54.1Low103 Ų103126.3 Ų126.372%0.7276%0.76SS**  trans44.8100.1157.9-157.10000119.5F344S342-F344 PolarHBondContact O-N 3.33Å
343S44.5Very low56.2Low121 Ų121124.3 Ų124.385%0.84675%0.754SS**  trans-72.586.1176.9-510000114.3
344F48Very low58Low185 Ų185121.2 Ų121.281%0.81174%0.742SS**  trans-139.344.2169-77.8-67.2000114.7S342S342-F344 PolarHBondContact O-N 3.33Å
345H50.9Low60.2Low194 Ų194121 Ų12190%0.89873%0.73SS**  trans-105.894.5161.6-87.3-88.5000110.2A347H345-A347 PolarHBondContact O-N 3.42Å
346A50.6Low62.2Low79 Ų79117.7 Ų117.765%0.65372%0.715SS**  trans-65.2123.5164.400000108.7F348A346-F348 PolarHBondContact O-N 3.33Å; A346-F348 VanDerWaalsContact O-N 3.08Å
347A53.5Low63.9Low101 Ų101114.8 Ų114.884%0.83570%0.701SS**  trans-72101.4176.700000109.6H345H345-A347 PolarHBondContact O-N 3.42Å
348F47.3Very low65.9Low195 Ų195114.5 Ų114.586%0.85569%0.691SS**  trans-64.7125166-73.1-88.3000108.7A346 A350A346-F348 PolarHBondContact O-N 3.33Å; A346-F348 VanDerWaalsContact O-N 3.08Å; F348-A350 PolarHBondContact O-N 2.95Å
349P62.6Low67.4Low75 Ų75113 Ų11349%0.48768%0.675SS.*  trans-67.9117.917727.4-33000109.7D351 E352P349-D351 PolarHBondContact O-N 3.29Å; P349-D351 VanDerWaalsContact O-N 3.14Å; P349-E352 HydrophobicContact CG-CG 4.29Å
350A61.1Low69.4Low77 Ų77113.5 Ų113.564%0.63667%0.668SS**THydrogen-bonded Turntrans-66.8-11.6179.400000113.6F348 T354F348-A350 PolarHBondContact O-N 2.95Å; A350-T354 PolarHBondContact O-OG1 3.2Å
351D78Confident71.7Confident127 Ų127114.8 Ų114.868%0.67966%0.658SS**Hα-helixtrans-61.6-45176-93.6-38.5000112.9P349 I353 T354 D355P349-D351 PolarHBondContact O-N 3.29Å; P349-D351 VanDerWaalsContact O-N 3.14Å; D351-I353 VanDerWaalsContact C-N 3.3Å; D351-I353 PolarHBondContact O-N 2.88Å; D351-T354 CarbonylContact O-C 3.56Å; D351-T354 WeakPolarHBondContact O-CA 3.4Å; D351-T354 WeakPolarHBondContact O-CB 3.46Å; D351-T354 PolarHBondContact O-N 3.5Å; D351-D355 PolarHBondContact O-N 3.42Å
352E83.7Confident73.4Confident144 Ų144112.7 Ų112.767%0.67365%0.646SS**Hα-helixtrans-60.2-38.8-170.9-68.3-175-17800113P349 T354 A356P349-E352 HydrophobicContact CG-CG 4.29Å; E352-T354 VanDerWaalsContact C-N 3.35Å; E352-A356 WeakPolarHBondContact O-CB 3.34Å; E352-A356 PolarHBondContact O-N 3.02Å; E352-A356 VanDerWaalsContact O-N 3.08Å
353I88.6Confident75.6Confident139 Ų139113.3 Ų113.371%0.71364%0.641SS**Hα-helixtrans-71.3-35.1176.8-61.1176.2000110.6D351 A357D351-I353 VanDerWaalsContact C-N 3.3Å; D351-I353 PolarHBondContact O-N 2.88Å; I353-A357 WeakPolarHBondContact O-CB 3.49Å; I353-A357 PolarHBondContact O-N 3.44Å; I353-A357 VanDerWaalsContact O-N 3.11Å
354T88.8Confident77.8Confident85 Ų85110.9 Ų110.952%0.52162%0.624SS.*Hα-helixtrans-71.9-47.2-178.8-54.20000111A350 D351 E352 A357 M358A350-T354 PolarHBondContact O-OG1 3.2Å; D351-T354 CarbonylContact O-C 3.56Å; D351-T354 WeakPolarHBondContact O-CA 3.4Å; D351-T354 WeakPolarHBondContact O-CB 3.46Å; D351-T354 PolarHBondContact O-N 3.5Å; E352-T354 VanDerWaalsContact C-N 3.35Å; T354-A357 PolarHBondContact O-N 3.09Å; T354-M358 WeakPolarHBondContact O-CB 3.34Å; T354-M358 PolarHBondContact O-N 2.94Å
355D90.3Very high79.5Confident79 Ų79106.5 Ų106.542%0.42262%0.615SS.*Hα-helixtrans-66-42.3176.7-170.850.8000111.5D351 A357 M358 L359D351-D355 PolarHBondContact O-N 3.42Å; D355-A357 VanDerWaalsContact C-N 3.28Å; D355-A357 PolarHBondContact O-N 2.93Å; D355-M358 PolarHBondContact O-N 3.27Å; D355-M358 VanDerWaalsContact O-N 3.07Å; D355-M358 WeakPolarHBondContact OD1-CE 3.42Å; D355-L359 WeakPolarHBondContact O-CB 3.39Å; D355-L359 WeakPolarHBondContact O-CG 3.44Å; D355-L359 PolarHBondContact O-N 3.01Å
356A93.4Very high80.6Confident58 Ų5899.5 Ų99.548%0.47960%0.595SS.*Hα-helixtrans-58.4-38.5173.400000112.8E352 L360E352-A356 WeakPolarHBondContact O-CB 3.34Å; E352-A356 PolarHBondContact O-N 3.02Å; E352-A356 VanDerWaalsContact O-N 3.08Å; A356-L360 WeakPolarHBondContact O-CB 3.4Å; A356-L360 PolarHBondContact O-N 3.23Å; A356-L360 VanDerWaalsContact O-N 3.1Å
357A93Very high81Confident53 Ų53102.6 Ų102.644%0.43860%0.6SS.*Hα-helixtrans-69.2-39.6173.800000112.3I353 T354 D355 L360 M361I353-A357 WeakPolarHBondContact O-CB 3.49Å; I353-A357 PolarHBondContact O-N 3.44Å; I353-A357 VanDerWaalsContact O-N 3.11Å; T354-A357 PolarHBondContact O-N 3.09Å; D355-A357 VanDerWaalsContact C-N 3.28Å; D355-A357 PolarHBondContact O-N 2.93Å; A357-L360 PolarHBondContact O-N 3.16Å; A357-M361 WeakPolarHBondContact O-CG 3.34Å; A357-M361 PolarHBondContact O-N 3.26Å
358M92.7Very high81.3Confident113 Ų113103.6 Ų103.656%0.55760%0.595SS**Hα-helixtrans-66.9-39.4178.6-166.5167.761.900112.1T354 D355 M361 T362T354-M358 WeakPolarHBondContact O-CB 3.34Å; T354-M358 PolarHBondContact O-N 2.94Å; D355-M358 PolarHBondContact O-N 3.27Å; D355-M358 VanDerWaalsContact O-N 3.07Å; D355-M358 WeakPolarHBondContact OD1-CE 3.42Å; M358-M361 PolarHBondContact O-N 3.15Å; M358-T362 WeakPolarHBondContact O-CB 3.39Å; M358-T362 PolarHBondContact O-N 3.49Å; M358-T362 PolarHBondContact O-OG1 3.42Å
359L93.3Very high81.6Confident94 Ų94105.4 Ų105.449%0.49260%0.596SS.*Hα-helixtrans-63.7-42.6171-70.3171000111.7D355 M361 T362 L363D355-L359 WeakPolarHBondContact O-CB 3.39Å; D355-L359 WeakPolarHBondContact O-CG 3.44Å; D355-L359 PolarHBondContact O-N 3.01Å; L359-M361 PolarHBondContact O-N 3.2Å; L359-T362 PolarHBondContact O-N 3.42Å; L359-L363 WeakPolarHBondContact O-CB 3.43Å; L359-L363 WeakPolarHBondContact O-CG 3.35Å; L359-L363 PolarHBondContact O-N 2.73Å
360L93.6Very high81Confident125 Ų125110.2 Ų110.265%0.65463%0.631SS**Hα-helixtrans-63.4-41.1177.4-165.178.2000112.2A356 A357 S364A356-L360 WeakPolarHBondContact O-CB 3.4Å; A356-L360 PolarHBondContact O-N 3.23Å; A356-L360 VanDerWaalsContact O-N 3.1Å; A357-L360 PolarHBondContact O-N 3.16Å; L360-S364 WeakPolarHBondContact O-CB 3.38Å; L360-S364 PolarHBondContact O-N 3.3Å; L360-S364 PolarHBondContact O-OG 2.94Å
361M91.6Very high82Confident129 Ų129111.9 Ų111.964%0.63563%0.631SS**Hα-helixtrans-63.1-43.1173-70.6-70.2-75.400111.3A357 M358 L359 S364 C365A357-M361 WeakPolarHBondContact O-CG 3.34Å; A357-M361 PolarHBondContact O-N 3.26Å; M358-M361 PolarHBondContact O-N 3.15Å; L359-M361 PolarHBondContact O-N 3.2Å; M361-S364 WeakPolarHBondContact CA-OG 3.26Å; M361-S364 PolarHBondContact O-N 2.93Å; M361-S364 PolarHBondContact O-OG 3.29Å; M361-S364 VanDerWaalsContact O-OG 3.09Å; M361-C365 PolarHBondContact O-N 3.34Å; M361-C365 PolarHBondContact O-SG 3.11Å; M361-C365 VanDerWaalsContact O-SG 3.32Å
362T89.4Confident82.2Confident91 Ų91111.1 Ų111.156%0.55863%0.629SS**Hα-helixtrans-63.3-45.9178.3-56.90000112M358 L359 S364 C365 G366M358-T362 WeakPolarHBondContact O-CB 3.39Å; M358-T362 PolarHBondContact O-N 3.49Å; M358-T362 PolarHBondContact O-OG1 3.42Å; L359-T362 PolarHBondContact O-N 3.42Å; T362-S364 PolarHBondContact O-N 3.39Å; T362-C365 PolarHBondContact O-N 3.06Å; T362-G366 PolarHBondContact O-N 2.84Å
363L92.8Very high82.1Confident116 Ų116109.2 Ų109.261%0.60763%0.626SS**Hα-helixtrans-63.7-40.7177.8-71.9169.8000112.4L359 G366 L367L359-L363 WeakPolarHBondContact O-CB 3.43Å; L359-L363 WeakPolarHBondContact O-CG 3.35Å; L359-L363 PolarHBondContact O-N 2.73Å; L363-G366 PolarHBondContact O-N 2.87Å; L363-L367 PolarHBondContact O-N 2.76Å
364S90.9Very high81.7Confident70 Ų70107.5 Ų107.549%0.4962%0.621SS.*Hα-helixtrans-72.9-26.1178.452.10000113.5L360 M361 T362L360-S364 WeakPolarHBondContact O-CB 3.38Å; L360-S364 PolarHBondContact O-N 3.3Å; L360-S364 PolarHBondContact O-OG 2.94Å; M361-S364 WeakPolarHBondContact CA-OG 3.26Å; M361-S364 PolarHBondContact O-N 2.93Å; M361-S364 PolarHBondContact O-OG 3.29Å; M361-S364 VanDerWaalsContact O-OG 3.09Å; T362-S364 PolarHBondContact O-N 3.39Å
365C83.9Confident81.3Confident93 Ų93108.9 Ų108.963%0.62863%0.627SS**Hα-helixtrans-75-34.9167.2-69.30000113.1M361 T362M361-C365 PolarHBondContact O-N 3.34Å; M361-C365 PolarHBondContact O-SG 3.11Å; M361-C365 VanDerWaalsContact O-SG 3.32Å; T362-C365 PolarHBondContact O-N 3.06Å
366G73.9Confident80.7Confident46 Ų46110.9 Ų110.947%0.47464%0.641SS.*Hα-helixtrans-68.9-40.2-178.300000114.2T362 L363 V368 R369T362-G366 PolarHBondContact O-N 2.84Å; L363-G366 PolarHBondContact O-N 2.87Å; G366-V368 PolarHBondContact O-N 3.43Å; G366-R369 PolarHBondContact O-N 3.35Å
367L59.4Low79.8Confident145 Ų145114.6 Ų114.676%0.75965%0.653SS**THydrogen-bonded Turntrans-71.66.4-174.3-117.998.2000115.8L363L363-L367 PolarHBondContact O-N 2.76Å
368V58.3Low78.8Confident121 Ų121119.4 Ų119.473%0.73367%0.669SS**THydrogen-bonded Turntrans-106.26.2179.1-172.30000111.5G366G366-V368 PolarHBondContact O-N 3.43Å
369R54Low77.6Confident233 Ų233119.9 Ų119.988%0.87968%0.679SS**  trans-136.263.4179.5-75.7-172.7141.2105.6-2.7112.9G366G366-R369 PolarHBondContact O-N 3.35Å
370S50.5Low76.2Confident176 Ų176122.3 Ų122.3100%1.23170%0.695SS**  trans-148.20168.163.10000110.5

Retrieved 370 of 370 residues in 133.6 ms (Link to these results)