A0A096NH00_PAPAN Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A096NH00, Species PAPAN (Papio anubis, Olive baboon), Gene MARCHF9, Length 346 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
1M45.6Very low51.1Low193 Ų193133.7 Ų133.795%0.95164%0.639SS**  0-29.30-65.1-174.791.200114.4
2L37.6Very low51.5Low140 Ų140132 Ų13273%0.73363%0.63SS**Hα-helixtrans-63.7-41.6175.8-118.382.9000113.8S4 R5 L6L2-S4 VanDerWaalsContact C-N 3.29Å; L2-S4 PolarHBondContact O-N 3.42Å; L2-R5 PolarHBondContact O-N 3.07Å; L2-R5 VanDerWaalsContact O-N 3.1Å; L2-L6 PolarHBondContact O-N 3.35Å
3K39.6Very low51.8Low181 Ų181128.7 Ų128.779%0.78762%0.617SS**Hα-helixtrans-57.6-37.5-179.3-71.4-179.1175.7176.50113.2R7K3-R7 WeakPolarHBondContact O-CB 3.27Å; K3-R7 PolarHBondContact O-N 2.97Å
4S40.4Very low51.6Low83 Ų83129.1 Ų129.158%0.5862%0.615SS**Hα-helixtrans-75.1-31.5179.3-45.50000112.3L2 M8L2-S4 VanDerWaalsContact C-N 3.29Å; L2-S4 PolarHBondContact O-N 3.42Å; S4-M8 WeakPolarHBondContact O-CG 3.33Å; S4-M8 PolarHBondContact O-N 3.24Å
5R52.4Low51.5Low128 Ų128128.1 Ų128.148%0.48361%0.614SS.*Hα-helixtrans-78.9-36.9179.8-66.2-165.4-176.7-889.2112.4L2 M8 F9 Y246L2-R5 PolarHBondContact O-N 3.07Å; L2-R5 VanDerWaalsContact O-N 3.1Å; R5-M8 PolarHBondContact O-N 3.39Å; R5-F9 PolarHBondContact O-N 3.49Å; R5-Y246 PolarHBondContact NH1-OH 3.1Å
6L61.5Low51.1Low117 Ų117128 Ų12861%0.61362%0.617SS**Hα-helixtrans-66.4-38172.7-169.666.5000111.6L2 F9 L10L2-L6 PolarHBondContact O-N 3.35Å; L6-F9 PolarHBondContact O-N 3.21Å; L6-L10 HydrophobicContact CG-CD1 4.17Å; L6-L10 WeakPolarHBondContact O-CG 3.48Å; L6-L10 PolarHBondContact O-N 3.09Å
7R49.5Very low51.2Low176 Ų176126.8 Ų126.866%0.66462%0.619SS**Hα-helixtrans-64.1-40.1176-173.9179.8-66.6-165.5-2.8112.8K3 N11K3-R7 WeakPolarHBondContact O-CB 3.27Å; K3-R7 PolarHBondContact O-N 2.97Å; R7-N11 WeakPolarHBondContact O-CB 3.46Å; R7-N11 VanDerWaalsContact O-CG 3.29Å; R7-N11 PolarHBondContact O-N 2.94Å; R7-N11 PolarHBondContact O-ND2 3.42Å
8M52.5Low51Low116 Ų116127 Ų12757%0.57162%0.622SS**Hα-helixtrans-63.3-45.5175.1-72.1-66.8-61.800111S4 R5 L10 N11 E12S4-M8 WeakPolarHBondContact O-CG 3.33Å; S4-M8 PolarHBondContact O-N 3.24Å; R5-M8 PolarHBondContact O-N 3.39Å; M8-L10 PolarHBondContact O-N 3.02Å; M8-N11 PolarHBondContact O-N 3.22Å; M8-E12 WeakPolarHBondContact O-CG 3.48Å; M8-E12 PolarHBondContact O-N 3.13Å
9F62.1Low50.7Low152 Ų152126.2 Ų126.267%0.66763%0.625SS**Hα-helixtrans-64.3-40.3180-153.3-91.3000112.8R5 L6 E12 L13R5-F9 PolarHBondContact O-N 3.49Å; L6-F9 PolarHBondContact O-N 3.21Å; F9-E12 PolarHBondContact O-N 3.47Å; F9-L13 HydrophobicContact CE1-CD1 4.46Å; F9-L13 WeakPolarHBondContact O-CB 3.3Å; F9-L13 PolarHBondContact O-N 3.45Å
10L66.1Low50.2Low100 Ų100123.3 Ų123.352%0.52463%0.629SS.*Hα-helixtrans-67.9-33.1175.1-72.9168.1000112.8L6 M8 K14L6-L10 HydrophobicContact CG-CD1 4.17Å; L6-L10 WeakPolarHBondContact O-CG 3.48Å; L6-L10 PolarHBondContact O-N 3.09Å; M8-L10 PolarHBondContact O-N 3.02Å; L10-K14 WeakPolarHBondContact O-CB 3.2Å; L10-K14 PolarHBondContact O-N 3.43Å
11N54.4Low49.7Very low85 Ų85121 Ų12146%0.45564%0.636SS.*Hα-helixtrans-70.6-38.9175.6-79.4-16.7000112.2R7 M8 K14 L15R7-N11 WeakPolarHBondContact O-CB 3.46Å; R7-N11 VanDerWaalsContact O-CG 3.29Å; R7-N11 PolarHBondContact O-N 2.94Å; R7-N11 PolarHBondContact O-ND2 3.42Å; M8-N11 PolarHBondContact O-N 3.22Å; N11-K14 PolarHBondContact O-N 3.26Å; N11-L15 PolarHBondContact O-N 2.97Å
12E56.8Low49.1Very low113 Ų113115.3 Ų115.353%0.52863%0.627SS.*Hα-helixtrans-66.4-42.4175.1-66.1-67.2145.800111.5M8 F9 K14 L15 L16M8-E12 WeakPolarHBondContact O-CG 3.48Å; M8-E12 PolarHBondContact O-N 3.13Å; F9-E12 PolarHBondContact O-N 3.47Å; E12-K14 VanDerWaalsContact C-N 3.34Å; E12-K14 PolarHBondContact O-N 2.94Å; E12-L15 WeakPolarHBondContact O-CB 3.1Å; E12-L15 PolarHBondContact O-N 2.95Å; E12-L16 PolarHBondContact O-N 3.2Å; E12-L16 VanDerWaalsContact O-N 3.07Å
13L54.9Low48.9Very low89 Ų89120.3 Ų120.347%0.46664%0.636SS.*Hα-helixtrans-65.1-38.8176-149.599.7000111.7F9 L15 L16 V17F9-L13 HydrophobicContact CE1-CD1 4.46Å; F9-L13 WeakPolarHBondContact O-CB 3.3Å; F9-L13 PolarHBondContact O-N 3.45Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L16 PolarHBondContact O-N 2.97Å; L13-V17 WeakPolarHBondContact O-CG2 3.47Å; L13-V17 PolarHBondContact O-N 3.35Å
14K49.5Very low48.7Very low135 Ų135117.7 Ų117.759%0.58764%0.638SS**Hα-helixtrans-66.2-35.2175-173.9170.5-179172.20111.9L10 N11 E12 L18L10-K14 WeakPolarHBondContact O-CB 3.2Å; L10-K14 PolarHBondContact O-N 3.43Å; N11-K14 PolarHBondContact O-N 3.26Å; E12-K14 VanDerWaalsContact C-N 3.34Å; E12-K14 PolarHBondContact O-N 2.94Å; K14-L18 HydrophobicContact CG-CD1 3.8Å; K14-L18 HydrophobicContact CG-CG 4.48Å; K14-L18 WeakPolarHBondContact O-CB 3.33Å; K14-L18 WeakPolarHBondContact O-CD1 3.33Å; K14-L18 WeakPolarHBondContact O-CG 3.29Å; K14-L18 PolarHBondContact O-N 3.45Å; K14-L18 VanDerWaalsContact O-N 3.1Å
15L49Very low48.2Very low114 Ų114124.7 Ų124.760%0.59765%0.652SS**Hα-helixtrans-64.9-47.2174.8-137.893.2000110.7N11 E12 L13 V17 L18 T19N11-L15 PolarHBondContact O-N 2.97Å; E12-L15 WeakPolarHBondContact O-CB 3.1Å; E12-L15 PolarHBondContact O-N 2.95Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L15-V17 PolarHBondContact O-N 3.29Å; L15-L18 PolarHBondContact O-N 3.3Å; L15-T19 PolarHBondContact O-N 3.3Å; L15-T19 PolarHBondContact O-OG1 3.48Å
16L46.1Very low47.2Very low126 Ų126123.4 Ų123.466%0.6667%0.669SS**Hα-helixtrans-61.9-40.9179.4-104.2138.5000113.3E12 L13 T19 G20E12-L16 PolarHBondContact O-N 3.2Å; E12-L16 VanDerWaalsContact O-N 3.07Å; L13-L16 PolarHBondContact O-N 2.97Å; L16-T19 PolarHBondContact O-OG1 2.92Å; L16-G20 PolarHBondContact O-N 2.98Å
17V52.1Low45.9Very low108 Ų108126.2 Ų126.266%0.65568%0.678SS**Hα-helixtrans-70.9-34177.2172.10000111.7L13 L15L13-V17 WeakPolarHBondContact O-CG2 3.47Å; L13-V17 PolarHBondContact O-N 3.35Å; L15-V17 PolarHBondContact O-N 3.29Å
18L47Very low45.2Very low130 Ų130123 Ų12368%0.68168%0.681SS**Hα-helixtrans-81.5-21.6179.8-69.5171.9000113.7K14 L15K14-L18 HydrophobicContact CG-CD1 3.8Å; K14-L18 HydrophobicContact CG-CG 4.48Å; K14-L18 WeakPolarHBondContact O-CB 3.33Å; K14-L18 WeakPolarHBondContact O-CD1 3.33Å; K14-L18 WeakPolarHBondContact O-CG 3.29Å; K14-L18 PolarHBondContact O-N 3.45Å; K14-L18 VanDerWaalsContact O-N 3.1Å; L15-L18 PolarHBondContact O-N 3.3Å
19T46.8Very low44.1Very low111 Ų111126.5 Ų126.568%0.68170%0.696SS**Hα-helixtrans-88.6-10.3173.945.50000114.4L15 L16L15-T19 PolarHBondContact O-N 3.3Å; L15-T19 PolarHBondContact O-OG1 3.48Å; L16-T19 PolarHBondContact O-OG1 2.92Å
20G40.8Very low42.9Very low68 Ų68124.6 Ų124.670%0.70170%0.698SS**SBendtrans-94.7-5-177.300000116.3L16L16-G20 PolarHBondContact O-N 2.98Å
21G39.8Very low41.3Very low75 Ų75132 Ų13277%0.77372%0.72SS**  trans-111.865.3-170.500000114.1
22G31.3Very low40Very low75 Ų75131.9 Ų131.977%0.77374%0.738SS**  trans-143.270.117800000112.8
23R33.9Very low38.7Very low244 Ų244130.4 Ų130.492%0.92175%0.753SS**PPolyproline II helixtrans-93.3124.4167-146.6177.7-177.2-177.30.3108R25R23-R25 PolarHBondContact O-N 2.91Å
24P36Very low37.4Very low127 Ų127130.3 Ų130.383%0.82577%0.774SS**PPolyproline II helixtrans-70.6131.2-176.725.8-30.7000111.1
25R30.4Very low36.4Very low230 Ų230127.8 Ų127.887%0.86879%0.786SS**PPolyproline II helixtrans-74.6116.9175.1-176.8176.9-178.1145.7-1.9108.6R23R23-R25 PolarHBondContact O-N 2.91Å
26A30.9Very low35.5Very low101 Ų101126.5 Ų126.584%0.83580%0.8SS**PPolyproline II helixtrans-83.8120.1167.900000109
27E33.1Very low34.7Very low175 Ų175123.6 Ų123.682%0.81880%0.8SS**PPolyproline II helixtrans-90.3151.2167.5-89.8-17093.800111.2
28P36.4Very low33.7Very low109 Ų109125.2 Ų125.271%0.70882%0.815SS**  trans-107.8139.7-175.836.4-26.3000113.7
29Q29.4Very low32.9Very low190 Ų190122 Ų12289%0.88881%0.813SS**  trans174.6169143.5-137.3133.3-7.900112.1
30P36.6Very low32.1Very low112 Ų112129 Ų12973%0.72783%0.828SS**  -122.8168.1-52.230.7-13.7000114.5
31R31.7Very low31.9Very low256 Ų256130 Ų13097%0.96683%0.829SS**  trans7.6134154-82.1-178.8164.9178.5-4.1122.2
32G28.3Very low32.1Very low82 Ų82132 Ų13285%0.84583%0.828SS**  trans146.1122.5141.500000110
33G28.4Very low32.2Very low81 Ų81138.2 Ų138.284%0.83583%0.834SS**  cis169.41472.300000106.2
34G27.3Very low32.1Very low88 Ų88131.7 Ų131.791%0.90783%0.832SS**  trans106.7110.8157.900000117.7
35G28.9Very low31.7Very low81 Ų81128.9 Ų128.984%0.83583%0.827SS**  121.2100.3129.400000117.8
36G29.7Very low31.5Very low87 Ų87124.4 Ų124.490%0.89783%0.829SS**  trans82.6124.5155.500000114.8
37G30Very low31.4Very low65 Ų65124.3 Ų124.367%0.6782%0.822SS**  cis154.6136.113.100000106.2
38C31.4Very low31.3Very low143 Ų143121.7 Ų121.797%0.96682%0.818SS**  trans49.5139.316665.40000118.7
39G30.1Very low31.1Very low62 Ų62127.3 Ų127.364%0.63983%0.826SS**  cis176.1119.94.900000107.1
40W30.5Very low31.2Very low259 Ų259125.8 Ų125.898%0.98182%0.823SS**  trans30.7125.1146.8-57.974.9000120.8
41A35.3Very low31Very low88 Ų88124.1 Ų124.173%0.72783%0.827SS**  trans-60.5-179.5156.100000111.3
42P44.1Very low31.2Very low116 Ų116120.4 Ų120.475%0.75383%0.826SS**  cis-153.2176.441.337.3-11.9000118.5
43F34.5Very low31.4Very low207 Ų207118.8 Ų118.891%0.90881%0.81SS**  trans-13.2135.7161.8-71-94.4000120.9
44A30.5Very low31.5Very low106 Ų106122.1 Ų122.188%0.87681%0.808SS**  trans-175.8142.6138.600000106.4
45G28Very low31.9Very low69 Ų69127 Ų12771%0.71181%0.807SS**  cis122.3119.324.700000108.8
46C26.3Very low32.1Very low136 Ų136132.6 Ų132.692%0.91981%0.812SS**  trans69.1150.6170.3-58.30000116.6
47S28.9Very low32.2Very low98 Ų98137.1 Ų137.169%0.68581%0.81SS**  cis-163.2152.220.5-1490000110.6
48T30.8Very low32.3Very low121 Ų121142.7 Ų142.774%0.74281%0.812SS**  trans15.4132.4142.153.90000120.1
49R31.8Very low32.4Very low227 Ų227144.7 Ų144.786%0.85780%0.8SS**  169.3151.395.6-161147.774.2159.95.8112.1
50D32Very low32.4Very low157 Ų157144.2 Ų144.284%0.8480%0.796SS**  trans-49.2155.2178.1-47.5-79.9000115.8
51G32.8Very low32.5Very low78 Ų78137.8 Ų137.880%0.80479%0.79SS**  trans166.3102.3164.900000114.5
52D35Very low32.6Very low177 Ų177142.7 Ų142.795%0.94780%0.798SS**  trans-57.6158169.5-143.6-82.1000113.5
53G32.6Very low32.4Very low49 Ų49143.5 Ų143.551%0.50580%0.803SS.*  trans125.4114160.700000116.2
54D31.7Very low32.3Very low150 Ų150145.3 Ų145.380%0.80280%0.804SS**  trans58.9129.3142.5-44.1-44000116.8
55E34.7Very low32.3Very low190 Ų190145 Ų14589%0.88880%0.802SS**  179.7121.862.745.1-156.170.300108.8
56E32.5Very low32.4Very low200 Ų200153.9 Ų153.994%0.93581%0.814SS**  trans-98.7127.8171-70.5-170132.700109.6
57E32.1Very low32.8Very low181 Ų181150.7 Ų150.785%0.84680%0.804SS**  trans-156.9143.5157.6-137178-179.100114.6
58Y32.2Very low32.9Very low182 Ų182155 Ų15571%0.71482%0.818SS**  trans88.2121.9148.5-135.9-106.2000117.9
59Y33.3Very low33Very low185 Ų185154 Ų15473%0.72582%0.823SS**  cis-157.7139.118.3-154-124.3000111.5
60G31.5Very low32.9Very low53 Ų53146.8 Ų146.855%0.54682%0.819SS.*  trans-121.7176.3155.500000107.9
61S33Very low33Very low123 Ų123147.2 Ų147.286%0.8682%0.821SS**  cis-170.4168.81-71.90000106.3
62E36Very low32.9Very low191 Ų191153.6 Ų153.689%0.89383%0.827SS**  trans-53.1161.6173.8-58.2174.292.900115.7
63P40.7Very low32.9Very low134 Ų134153.5 Ų153.587%0.8782%0.821SS**  trans-107.6144.2165.733.9-23.1000114.9
64R31.4Very low33.6Very low244 Ų244156 Ų15692%0.92183%0.828SS**  trans-97.6146.9174.1-175.1-177.7180105.7-2111.2
65A30.9Very low33.7Very low100 Ų100160.5 Ų160.583%0.82683%0.834SS**  trans-77.8151.6179.300000114.8
66R31.3Very low33.7Very low255 Ų255156.3 Ų156.396%0.96283%0.832SS**  trans-128.5136.6175.7-146.6178.9-162.6131.8-0.1108.3
67G33.3Very low33.9Very low70 Ų70150.3 Ų150.372%0.72282%0.823SS**  trans-98.316717900000114.3
68L32.3Very low34.3Very low187 Ų187148.1 Ų148.198%0.97983%0.825SS**  trans-174.1158.1150-104.2160.5000111.5
69A32.5Very low35Very low102 Ų102147.4 Ų147.484%0.84383%0.832SS**  trans-90.2168.5-160.600000116.7
70G30.2Very low36.1Very low75 Ų75144 Ų14477%0.77383%0.833SS**  trans176.7131.516400000114.5
71D32.8Very low37.4Very low166 Ų166147.1 Ų147.189%0.88884%0.844SS**  trans-64150.4-169-59.2-76.7000119
72K30.2Very low38Very low212 Ų212147.5 Ų147.592%0.92284%0.843SS**  171.3137.3121.2-130.3163.7177.5169.70113.8
73E36.4Very low38.7Very low175 Ų175142.7 Ų142.782%0.81884%0.836SS**  trans-86.3-176.8175.1-143.8-151.9118.900112.9
74P46.9Very low39.5Very low100 Ų100142 Ų14265%0.64983%0.831SS**  -104160.7-102.241.4-29.3000114.4
75R32.8Very low40.4Very low246 Ų246136.3 Ų136.393%0.92883%0.826SS**  trans-157.2128162.4-123.4174.6-177.5175.20.5114.3
76A35.8Very low41.1Very low102 Ų102139.5 Ų139.584%0.84383%0.829SS**  trans8.7127.4159.900000119.9
77G36.2Very low42.1Very low74 Ų74132.7 Ų132.776%0.76382%0.817SS**  trans-78.3176.6-179.700000116
78P41.5Very low43.1Very low134 Ų134134.8 Ų134.887%0.8782%0.818SS**PPolyproline II helixtrans-101.2140.5168.5-0.822.5000113.2
79L46.6Very low43.8Very low167 Ų167132.2 Ų132.287%0.87481%0.813SS**PPolyproline II helixtrans-69.3152.8173-76.3146.4000112.8
80P56.5Low44.5Very low114 Ų114130.8 Ų130.874%0.7481%0.808SS**PPolyproline II helixtrans-80.1158.7173.131.9-33000113.7
81P58.6Low45.2Very low119 Ų119130.5 Ų130.577%0.77380%0.798SS**PPolyproline II helixtrans-73.6161-176.129.9-35.4000114.4
82P46.3Very low45.9Very low130 Ų130128.6 Ų128.684%0.84479%0.787SS**PPolyproline II helixtrans-76.1150.5-169.829.9-34.7000114.8
83A49.5Very low46.6Very low90 Ų90124.9 Ų124.974%0.74478%0.778SS**PPolyproline II helixtrans-73.6155177.900000113.4
84P57.3Low47.2Very low119 Ų119120.1 Ų120.177%0.77377%0.768SS**PPolyproline II helixtrans-73.2155.7174.830.1-33.3000112.4
85P49.8Very low47.3Very low126 Ų126122.3 Ų122.382%0.81877%0.774SS**PPolyproline II helixtrans-74.3143.3-171.728.2-32.6000113.6
86L47.2Very low48Very low167 Ų167114.8 Ų114.887%0.87476%0.759SS**PPolyproline II helixtrans-66.1144.4173.4-71.7148.2000111.7
87P51.7Low48.7Very low112 Ų112116 Ų11673%0.72775%0.75SS**PPolyproline II helixtrans-77.1156.3170.831.2-31.6000112.1
88P55.3Low49.2Very low114 Ų114117 Ų11774%0.7475%0.746SS**PPolyproline II helixtrans-69154.6-174.526.9-34000113.6G90P88-G90 PolarHBondContact O-N 3.35Å
89P45.3Very low49.6Very low133 Ų133115 Ų11586%0.86474%0.735SS**SBendtrans-77.3116.8-178.130.8-30.2000110
90G48.4Very low50Low72 Ų72110.7 Ų110.774%0.74272%0.719SS**  trans154.77.7175.500000117.6P88P88-G90 PolarHBondContact O-N 3.35Å
91A43.9Very low49.5Very low69 Ų69113.2 Ų113.257%0.5773%0.725SS**  trans-116.125.1-177.200000114.4
92L47.3Very low48.8Very low126 Ų126112.2 Ų112.266%0.6671%0.713SS**SBendtrans-84.1-14.5-177.212.4159.8000113.8
93D46.6Very low49.1Very low134 Ų134110.9 Ų110.972%0.71771%0.707SS**SBendtrans-100.1-5.3-173.3-60.9-33.5000114.3
94A48.5Very low49.1Very low75 Ų75109.7 Ų109.762%0.6270%0.703SS**SBendtrans-101.4-14.3179.500000114.4
95L48.5Very low48.9Very low145 Ų145111.1 Ų111.176%0.75970%0.704SS**SBendtrans-93.3-15.8177-72.6166.7000113.2
96S48.3Very low49.8Very low89 Ų89112.9 Ų112.962%0.62269%0.694SS**SBendtrans-85.7-8.7179.2-570000113.6
97L48.8Very low51.1Low126 Ų126109 Ų10966%0.6668%0.678SS**SBendtrans-1060.5179.9-72.1170000114.7S99 S100L97-S99 VanDerWaalsContact C-N 3.26Å; L97-S100 PolarHBondContact O-OG 3.46Å
98S46.6Very low52.6Low96 Ų96107.1 Ų107.167%0.67167%0.666SS**THydrogen-bonded Turntrans-83.1-1.8170.4-590000113.2
99S51.2Low54.3Low92 Ų92106.3 Ų106.364%0.64365%0.652SS**THydrogen-bonded Turntrans-83.3-14.7180-1730000113.8L97L97-S99 VanDerWaalsContact C-N 3.26Å
100S53.8Low56.5Low77 Ų77100 Ų10054%0.53861%0.611SS.*SBendtrans-103.55.3-166.838.60000116.7L97L97-S100 PolarHBondContact O-OG 3.46Å
101L47.1Very low58.6Low166 Ų16698.6 Ų98.687%0.86958%0.583SS**SBendtrans-120.74.1178.8-84.9159000116.2S103L101-S103 VanDerWaalsContact C-N 3.32Å; L101-S103 PolarHBondContact O-N 3.19Å
102D44.7Very low60.8Low98 Ų9897.8 Ų97.852%0.52457%0.569SS.*  trans-97.249169.1-169.867000111.5G104 R106D102-G104 VanDerWaalsContact C-N 3.33Å; D102-R106 VanDerWaalsContact O-CZ 3.32Å; D102-R106 PolarHBondContact O-NE 3.42Å; D102-R106 PolarHBondContact O-NH2 3.48Å; D102-R106 IonicContact OD2-CZ 3.1Å; D102-R106 IonicContact OD2-NE 3.72Å; D102-R106 IonicContact OD2-NH2 3.99Å; D102-R106 PolarHBondContact OD2-NH2 3.49Å
103S51.1Low62.9Low103 Ų10393.5 Ų93.572%0.7255%0.549SS*.  trans-97.326.1177.9-63.70000112.7L101L101-S103 VanDerWaalsContact C-N 3.32Å; L101-S103 PolarHBondContact O-N 3.19Å
104G49.8Very low65Low64 Ų6494.3 Ų94.366%0.6655%0.546SS*.SBendtrans-98.7-39-178.200000115.1D102D102-G104 VanDerWaalsContact C-N 3.33Å
105L54.1Low66.9Low150 Ų15095.3 Ų95.379%0.78554%0.538SS*.  trans-150.672.5-174.1-69.1173.5000110.5T107L105-T107 PolarHBondContact O-N 3.05Å
106R66.9Low68.7Low163 Ų16389.1 Ų89.162%0.61551%0.509SS*.  trans-62.9105.4168.6-69.1-72.4143.9145.9-3.4107.9D102D102-R106 VanDerWaalsContact O-CZ 3.32Å; D102-R106 PolarHBondContact O-NE 3.42Å; D102-R106 PolarHBondContact O-NH2 3.48Å; D102-R106 IonicContact OD2-CZ 3.1Å; D102-R106 IonicContact OD2-NE 3.72Å; D102-R106 IonicContact OD2-NH2 3.99Å; D102-R106 PolarHBondContact OD2-NH2 3.49Å
107T75.7Confident70.3Confident85 Ų8587.9 Ų87.952%0.52150%0.499SS..  trans-58.2138.717648.30000108.9L105 Q109L105-T107 PolarHBondContact O-N 3.05Å; T107-Q109 PolarHBondContact O-N 2.9Å
108P82.7Confident71.6Confident73 Ų7389.9 Ų89.947%0.47451%0.505SS..  trans-61.9126-179.826-33.7000109.2L122P108-L122 HydrophobicContact CB-CD2 4.26Å; P108-L122 WeakPolarHBondContact O-CD2 3.45Å
109Q90.3Very high73Confident96 Ų9690.6 Ų90.645%0.44950%0.498SS..  trans-107149.5177.9-68.81731.100110.2T107 R111 Q115 L122 C134T107-Q109 PolarHBondContact O-N 2.9Å; Q109-R111 PolarHBondContact O-N 3.26Å; Q109-Q115 WeakPolarHBondContact CA-O 3.37Å; Q109-L122 VanDerWaalsContact C-CD2 3.46Å; Q109-C134 WeakPolarHBondContact O-CB 3.19Å
110C92.2Very high74.3Confident1 Ų187.7 Ų87.71%0.00748%0.482CS..  trans-68.1126.5174.5176.20000110.2I112 C113 F114 Q115 L122 C134 H136C110-I112 PolarHBondContact O-N 3.32Å; C110-I112 VanDerWaalsContact O-N 3.1Å; C110-C113 VanDerWaalsContact CB-SG 3.56Å; C110-F114 WeakPolarHBondContact O-CA 3.13Å; C110-F114 PolarHBondContact O-N 3.31Å; C110-Q115 WeakPolarHBondContact CB-O 3.45Å; C110-Q115 PolarHBondContact N-O 3.33Å; C110-L122 HydrophobicContact CB-CD2 4.49Å; C110-C134 WeakPolarHBondContact CA-O 3.46Å; C110-H136 WeakPolarHBondContact CB-CE1 3.4Å; C110-H136 VanDerWaalsContact CB-ND1 3.27Å; C110-H136 WeakPolarHBondContact CB-ND1 3.1Å; C110-H136 PolarHBondContact SG-N 2.66Å; C110-H136 VanDerWaalsContact SG-N 3.4Å; C110-H136 PolarHBondContact SG-ND1 3.36Å; C110-H136 VanDerWaalsContact SG-ND1 3.38Å
111R91.5Very high75.8Confident43 Ų4390.9 Ų90.916%0.16249%0.489CS..THydrogen-bonded Turntrans-64.9-14.5-17982.5-165.3-173.3126.410.8114.9Q109 V132 C134 T135 E153 Y159Q109-R111 PolarHBondContact O-N 3.26Å; R111-V132 WeakPolarHBondContact CD-O 3.45Å; R111-C134 PolarHBondContact N-O 3.44Å; R111-T135 HydrophobicContact CG-CG2 3.66Å; R111-E153 IonicContact NH1-OE1 3.5Å; R111-E153 IonicContact NH2-OE1 3.91Å; R111-Y159 PolarHBondContact NH2-OH 3.2Å
112I91.5Very high77.8Confident51 Ų5184.6 Ų84.626%0.26246%0.456SS..THydrogen-bonded Turntrans-97.2-48.5-173.7-59.2169.1000110.6C110 T135 C139 W143C110-I112 PolarHBondContact O-N 3.32Å; C110-I112 VanDerWaalsContact O-N 3.1Å; I112-T135 HydrophobicContact CD1-CG2 3.88Å; I112-T135 HydrophobicContact CG1-CG2 4.19Å; I112-C139 HydrophobicContact CB-CB 4.09Å; I112-C139 HydrophobicContact CD1-CB 3.84Å; I112-C139 HydrophobicContact CG2-CB 4.21Å; I112-W143 HydrophobicContact CD1-CB 3.97Å; I112-W143 HydrophobicContact CD1-CG 4.33Å
113C91.4Very high79.9Confident37 Ų3780.3 Ų80.325%0.2543%0.433CS..THydrogen-bonded Turntrans-106.8-2-178.462.10000114C110 Q115 H136C110-C113 VanDerWaalsContact CB-SG 3.56Å; C113-Q115 PolarHBondContact O-N 2.9Å; C113-Q115 VanDerWaalsContact O-N 3.1Å; C113-H136 VanDerWaalsContact SG-CE1 3.58Å; C113-H136 PolarHBondContact SG-ND1 2.83Å
114F89.9Confident81.8Confident150 Ų15077.1 Ų77.166%0.65841%0.411SS*.  trans57.221.3-179.2-53.8-80000114.6C110C110-F114 WeakPolarHBondContact O-CA 3.13Å; C110-F114 PolarHBondContact O-N 3.31Å
115Q88.9Confident83.8Confident96 Ų9674.1 Ų74.145%0.44938%0.38SS..  trans-101.2152179.7-72.8163.121.600111.2Q109 C110 C113 Q119Q109-Q115 WeakPolarHBondContact CA-O 3.37Å; C110-Q115 WeakPolarHBondContact CB-O 3.45Å; C110-Q115 PolarHBondContact N-O 3.33Å; C113-Q115 PolarHBondContact O-N 2.9Å; C113-Q115 VanDerWaalsContact O-N 3.1Å; Q115-Q119 HydrophobicContact CB-CG 4.4Å
116G85.9Confident85.6Confident15 Ų1567.1 Ų67.116%0.15534%0.343CS..  trans-79.4-166.5-178.300000114E118 Q119 H136G116-E118 PolarHBondContact O-N 3.32Å; G116-Q119 PolarHBondContact O-OE1 2.94Å; G116-H136 PolarHBondContact O-CE1 3.4Å; G116-H136 PolarHBondContact O-NE2 3.31Å
117P81.6Confident86.7Confident63 Ų6364 Ų6441%0.40933%0.332SS..G310 helixtrans-69.2-14.417827.1-33.4000114.5Q119 G120 L122P117-Q119 PolarHBondContact O-N 3.34Å; P117-Q119 VanDerWaalsContact O-N 3.13Å; P117-G120 WeakPolarHBondContact CA-O 3.36Å; P117-G120 CarbonylContact O-C 3.52Å; P117-G120 PolarHBondContact O-N 3.13Å; P117-G120 VanDerWaalsContact O-O 3.09Å; P117-L122 HydrophobicContact CB-CD1 3.6Å; P117-L122 HydrophobicContact CG-CD1 4.44Å
118E77.5Confident87.4Confident169 Ų16960.6 Ų60.679%0.7931%0.311SS*.G310 helixtrans-58.6-24.7178.2-59.6-58.8136.700113.2G116G116-E118 PolarHBondContact O-N 3.32Å
119Q74.6Confident87.6Confident110 Ų11062 Ų6251%0.51431%0.314SS..G310 helixtrans-97.8-1.4179.8-69.873.539.300113.6Q115 G116 P117Q115-Q119 HydrophobicContact CB-CG 4.4Å; G116-Q119 PolarHBondContact O-OE1 2.94Å; P117-Q119 PolarHBondContact O-N 3.34Å; P117-Q119 VanDerWaalsContact O-N 3.13Å
120G79.7Confident87.4Confident31 Ų3159.7 Ų59.732%0.3232%0.316SS..SBendtrans147.5167.117800000113.3P117 L122 H136P117-G120 WeakPolarHBondContact CA-O 3.36Å; P117-G120 CarbonylContact O-C 3.52Å; P117-G120 PolarHBondContact O-N 3.13Å; P117-G120 VanDerWaalsContact O-O 3.09Å; G120-L122 PolarHBondContact O-N 3.48Å; G120-H136 PolarHBondContact O-CD2 3.44Å; G120-H136 VanDerWaalsContact O-CD2 3.25Å; G120-H136 PolarHBondContact O-NE2 2.65Å
121E84.5Confident86.9Confident145 Ų14563.8 Ų63.868%0.67835%0.345SS*.  trans-61.7131.1178.2-170.7-178.5177.900111.5
122L89.1Confident86.7Confident33 Ų3364.7 Ų64.717%0.17336%0.355CS..EExtended strand (participates in β ladder)trans-88.2131.8174-75.187.5000110.1P108 Q109 C110 P117 G120 C134P108-L122 HydrophobicContact CB-CD2 4.26Å; P108-L122 WeakPolarHBondContact O-CD2 3.45Å; Q109-L122 VanDerWaalsContact C-CD2 3.46Å; C110-L122 HydrophobicContact CB-CD2 4.49Å; P117-L122 HydrophobicContact CB-CD1 3.6Å; P117-L122 HydrophobicContact CG-CD1 4.44Å; G120-L122 PolarHBondContact O-N 3.48Å; L122-C134 HydrophobicContact CD2-CB 3.74Å
123L89.4Confident86.5Confident8 Ų866.9 Ų66.94%0.04236%0.36CS..EExtended strand (participates in β ladder)trans-114.7151.1-178.4-61.7160.6000109.6P125 C134 T135 Q137 V261 N263L123-P125 VanDerWaalsContact O-CD 3.28Å; L123-P125 WeakPolarHBondContact O-CD 3.25Å; L123-C134 CarbonylContact O-C 3.6Å; L123-C134 WeakPolarHBondContact O-CA 3.49Å; L123-T135 WeakPolarHBondContact CB-O 3.24Å; L123-T135 PolarHBondContact N-O 2.85Å; L123-T135 PolarHBondContact O-N 2.94Å; L123-Q137 HydrophobicContact CD1-CB 3.59Å; L123-Q137 HydrophobicContact CD1-CG 4.12Å; L123-V261 HydrophobicContact CD1-CB 4.16Å; L123-N263 WeakPolarHBondContact CA-OD1 3.43Å; L123-N263 WeakPolarHBondContact CB-OD1 3.26Å; L123-N263 VanDerWaalsContact CD2-OD1 3.3Å; L123-N263 WeakPolarHBondContact CD2-OD1 3.49Å
124S90.9Very high86.4Confident36 Ų3665.9 Ų65.925%0.25235%0.353SS..  trans-10981.6171.856.60000110.2C126 R133 N263 Y264S124-C126 VanDerWaalsContact C-N 3.29Å; S124-C126 PolarHBondContact O-N 3.43Å; S124-R133 WeakPolarHBondContact CA-O 3.41Å; S124-N263 PolarHBondContact N-OD1 3.24Å; S124-Y264 WeakPolarHBondContact O-CB 3.14Å; S124-Y264 PolarHBondContact O-N 3.42Å
125P90.8Very high86.5Confident2 Ų258.8 Ų58.81%0.01332%0.322CS..  trans-82.2-0.5-167.937.2-41.9000114.4L123 R133 T135 L140 Y159 V261L123-P125 VanDerWaalsContact O-CD 3.28Å; L123-P125 WeakPolarHBondContact O-CD 3.25Å; P125-R133 VanDerWaalsContact CD-O 3.3Å; P125-R133 WeakPolarHBondContact CD-O 3.4Å; P125-T135 WeakPolarHBondContact CD-OG1 3.23Å; P125-T135 WeakPolarHBondContact CG-OG1 3.31Å; P125-L140 HydrophobicContact CB-CD2 3.55Å; P125-L140 HydrophobicContact CG-CD1 4.3Å; P125-L140 HydrophobicContact CG-CD2 3.66Å; P125-Y159 HydrophobicContact CB-CD1 3.84Å; P125-Y159 HydrophobicContact CB-CE1 4.21Å; P125-Y159 HydrophobicContact CG-CD1 4.11Å; P125-Y159 HydrophobicContact CG-CE1 3.95Å; P125-V261 HydrophobicContact CB-CG1 3.72Å
126C91.8Very high86.7Confident3 Ų354.4 Ų54.42%0.0230%0.302CS..SBendtrans-148.2178.9-172.967.70000112.9S124 C128 C152 F157 Y159S124-C126 VanDerWaalsContact C-N 3.29Å; S124-C126 PolarHBondContact O-N 3.43Å; C126-C128 VanDerWaalsContact C-N 3.28Å; C126-C128 PolarHBondContact O-N 2.85Å; C126-C152 HydrophobicContact CB-CB 3.98Å; C126-F157 HydrophobicContact CB-CB 4.4Å; C126-F157 HydrophobicContact CB-CD1 4.34Å; C126-Y159 HydrophobicContact CB-CD1 4.4Å; C126-Y159 HydrophobicContact CB-CE1 3.99Å
127R90.1Very high86.9Confident98 Ų9856.6 Ų56.637%0.3731%0.308SS..SBendtrans-76.4-8.5-175.7-69.3176.6-177-117.9-7.1114.8C155 F157 Y264 K266 D269R127-C155 HydrophobicContact CB-CB 4.17Å; R127-F157 HydrophobicContact CG-CB 4.18Å; R127-F157 HydrophobicContact CG-CD2 4.01Å; R127-F157 HydrophobicContact CG-CG 4.04Å; R127-Y264 HydrophobicContact CB-CE1 4.35Å; R127-Y264 HydrophobicContact CG-CD1 4.1Å; R127-Y264 HydrophobicContact CG-CE1 3.5Å; R127-Y264 HydrophobicContact CG-CE2 4.13Å; R127-Y264 PolarHBondContact NE-OH 3.34Å; R127-Y264 VanDerWaalsContact NE-OH 3.15Å; R127-Y264 PolarHBondContact NH2-OH 2.86Å; R127-K266 PolarHBondContact O-NZ 2.85Å; R127-D269 IonicContact CZ-OD1 3.72Å; R127-D269 IonicContact CZ-OD2 3.68Å; R127-D269 VanDerWaalsContact CZ-OD2 3.23Å; R127-D269 IonicContact NE-OD2 2.67Å; R127-D269 IonicContact NH1-OD1 3.48Å; R127-D269 PolarHBondContact NH1-OD1 3.32Å; R127-D269 VanDerWaalsContact NH1-OD1 3.1Å; R127-D269 IonicContact NH1-OD2 3.22Å; R127-D269 PolarHBondContact NH1-OD2 2.87Å; R127-D269 IonicContact NH2-OD1 3.23Å; R127-D269 PolarHBondContact NH2-OD1 3.26Å; R127-D269 IonicContact NH2-OD2 2.8Å; R127-D269 PolarHBondContact NH2-OD2 3.33Å
128C90.3Very high87.3Confident12 Ų1258 Ų588%0.08132%0.317CS..  trans-58.3156.6-176.9-61.70000112.9C126 V132 R133C126-C128 VanDerWaalsContact C-N 3.28Å; C126-C128 PolarHBondContact O-N 2.85Å; C128-V132 HydrophobicContact CB-CG2 4.01Å; C128-R133 HydrophobicContact CB-CB 4.2Å; C128-R133 VanDerWaalsContact O-CB 3.25Å; C128-R133 WeakPolarHBondContact O-CB 3.27Å
129D87.1Confident87.9Confident102 Ų10251.1 Ų51.155%0.54529%0.287SS..  trans-112.6161.9-179-84.3-61000113V132 K266D129-V132 WeakPolarHBondContact O-CG2 3.48Å; D129-K266 IonicContact OD1-NZ 2.84Å; D129-K266 PolarHBondContact OD1-NZ 3.12Å; D129-K266 IonicContact OD2-NZ 3.75Å; D129-K266 PolarHBondContact OD2-NZ 3.35Å
130G85.8Confident88.8Confident48 Ų4845.9 Ų45.950%0.49526%0.263SS..G310 helixtrans69.5-150.2-179.700000113.8V132 R133G130-V132 VanDerWaalsContact C-N 3.33Å; G130-V132 PolarHBondContact O-N 3.03Å; G130-R133 WeakPolarHBondContact O-CD 3.41Å; G130-R133 VanDerWaalsContact O-CG 3.26Å; G130-R133 WeakPolarHBondContact O-CG 3.37Å; G130-R133 PolarHBondContact O-NE 3Å
131S83.2Confident89.2Confident87 Ų8746.3 Ų46.361%0.60826%0.257SS*.G310 helixtrans-69.5-26.9-177.952.50000113.5R133 C134S131-R133 PolarHBondContact O-N 3.37Å; S131-R133 VanDerWaalsContact O-N 3.12Å; S131-C134 PolarHBondContact O-N 2.8Å; S131-C134 VanDerWaalsContact O-N 3.16Å
132V85.9Confident89.5Confident62 Ų6247.4 Ų47.438%0.37626%0.255SS..G310 helixtrans-70.3-7.9-177.1-61.20000113.9R111 C128 D129 G130 L154R111-V132 WeakPolarHBondContact CD-O 3.45Å; C128-V132 HydrophobicContact CB-CG2 4.01Å; D129-V132 WeakPolarHBondContact O-CG2 3.48Å; G130-V132 VanDerWaalsContact C-N 3.33Å; G130-V132 PolarHBondContact O-N 3.03Å; V132-L154 HydrophobicContact CB-CD1 4.46Å; V132-L154 HydrophobicContact CG2-CD1 4.49Å
133R88.6Confident89.6Confident98 Ų9848.8 Ų48.837%0.3726%0.258SS..G310 helixtrans-84.3-21174.680.3-165169.6171.5-1.4112.8S124 P125 C128 G130 S131S124-R133 WeakPolarHBondContact CA-O 3.41Å; P125-R133 VanDerWaalsContact CD-O 3.3Å; P125-R133 WeakPolarHBondContact CD-O 3.4Å; C128-R133 HydrophobicContact CB-CB 4.2Å; C128-R133 VanDerWaalsContact O-CB 3.25Å; C128-R133 WeakPolarHBondContact O-CB 3.27Å; G130-R133 WeakPolarHBondContact O-CD 3.41Å; G130-R133 VanDerWaalsContact O-CG 3.26Å; G130-R133 WeakPolarHBondContact O-CG 3.37Å; G130-R133 PolarHBondContact O-NE 3Å; S131-R133 PolarHBondContact O-N 3.37Å; S131-R133 VanDerWaalsContact O-N 3.12Å
134C89.6Confident89.7Confident15 Ų1548.7 Ų48.710%0.10126%0.258CS..  trans-87.2124.6-170.8-58.30000110.8Q109 C110 R111 L122 L123 S131Q109-C134 WeakPolarHBondContact O-CB 3.19Å; C110-C134 WeakPolarHBondContact CA-O 3.46Å; R111-C134 PolarHBondContact N-O 3.44Å; L122-C134 HydrophobicContact CD2-CB 3.74Å; L123-C134 CarbonylContact O-C 3.6Å; L123-C134 WeakPolarHBondContact O-CA 3.49Å; S131-C134 PolarHBondContact O-N 2.8Å; S131-C134 VanDerWaalsContact O-N 3.16Å
135T92.3Very high89.5Confident1 Ų148.7 Ų48.71%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-144.6143.1178.150.10000111.4R111 I112 L123 P125R111-T135 HydrophobicContact CG-CG2 3.66Å; I112-T135 HydrophobicContact CD1-CG2 3.88Å; I112-T135 HydrophobicContact CG1-CG2 4.19Å; L123-T135 WeakPolarHBondContact CB-O 3.24Å; L123-T135 PolarHBondContact N-O 2.85Å; L123-T135 PolarHBondContact O-N 2.94Å; P125-T135 WeakPolarHBondContact CD-OG1 3.23Å; P125-T135 WeakPolarHBondContact CG-OG1 3.31Å
136H92.8Very high89.5Confident5 Ų554.9 Ų54.92%0.02329%0.286CS..EExtended strand (participates in β ladder)trans-69.8147.6166-56.6119.3000111.1C110 C113 G116 G120 P138 C139 L140C110-H136 WeakPolarHBondContact CB-CE1 3.4Å; C110-H136 VanDerWaalsContact CB-ND1 3.27Å; C110-H136 WeakPolarHBondContact CB-ND1 3.1Å; C110-H136 PolarHBondContact SG-N 2.66Å; C110-H136 VanDerWaalsContact SG-N 3.4Å; C110-H136 PolarHBondContact SG-ND1 3.36Å; C110-H136 VanDerWaalsContact SG-ND1 3.38Å; C113-H136 VanDerWaalsContact SG-CE1 3.58Å; C113-H136 PolarHBondContact SG-ND1 2.83Å; G116-H136 PolarHBondContact O-CE1 3.4Å; G116-H136 PolarHBondContact O-NE2 3.31Å; G120-H136 PolarHBondContact O-CD2 3.44Å; G120-H136 VanDerWaalsContact O-CD2 3.25Å; G120-H136 PolarHBondContact O-NE2 2.65Å; H136-P138 HydrophobicContact CB-CG 4.2Å; H136-C139 HydrophobicContact CB-CB 4.13Å; H136-C139 PolarHBondContact O-N 3.49Å; H136-L140 PolarHBondContact O-N 2.76Å
137Q90.1Very high89.4Confident61 Ų6161.7 Ų61.729%0.28531%0.312SS..Hα-helixtrans-51.8-53.4173.9-167.1172-50.700113.6L123 C139 L140 I141 W259 V261L123-Q137 HydrophobicContact CD1-CB 3.59Å; L123-Q137 HydrophobicContact CD1-CG 4.12Å; Q137-C139 VanDerWaalsContact C-N 3.34Å; Q137-C139 PolarHBondContact O-N 2.73Å; Q137-L140 PolarHBondContact O-N 2.67Å; Q137-I141 WeakPolarHBondContact O-CG1 3.5Å; Q137-I141 PolarHBondContact O-N 3.2Å; Q137-I141 VanDerWaalsContact O-N 3.1Å; Q137-W259 PolarHBondContact NE2-O 3.35Å; Q137-V261 HydrophobicContact CG-CB 4.32Å; Q137-V261 HydrophobicContact CG-CG2 3.95Å
138P89.4Confident89.3Confident93 Ų9360 Ų6060%0.60433%0.325SS*.Hα-helixtrans-63.8-37.7179.824.6-35.9000113H136 I141 R142H136-P138 HydrophobicContact CB-CG 4.2Å; P138-I141 PolarHBondContact O-N 3.34Å; P138-R142 WeakPolarHBondContact O-CB 3.39Å; P138-R142 PolarHBondContact O-N 3.3Å
139C90.9Very high89.3Confident23 Ų2362 Ų6216%0.15534%0.339CS..Hα-helixtrans-63.8-43.8178.1-64.10000111.4I112 H136 Q137 R142 W143I112-C139 HydrophobicContact CB-CB 4.09Å; I112-C139 HydrophobicContact CD1-CB 3.84Å; I112-C139 HydrophobicContact CG2-CB 4.21Å; H136-C139 HydrophobicContact CB-CB 4.13Å; H136-C139 PolarHBondContact O-N 3.49Å; Q137-C139 VanDerWaalsContact C-N 3.34Å; Q137-C139 PolarHBondContact O-N 2.73Å; C139-R142 PolarHBondContact O-N 3.4Å; C139-W143 WeakPolarHBondContact O-CB 2.96Å; C139-W143 PolarHBondContact O-N 3.49Å
140L91.6Very high89.4Confident0 Ų060.1 Ų60.10%032%0.324CS..Hα-helixtrans-66.2-42.9178.5-174.870.4000112P125 H136 Q137 R142 W143 I144 Y159 V261P125-L140 HydrophobicContact CB-CD2 3.55Å; P125-L140 HydrophobicContact CG-CD1 4.3Å; P125-L140 HydrophobicContact CG-CD2 3.66Å; H136-L140 PolarHBondContact O-N 2.76Å; Q137-L140 PolarHBondContact O-N 2.67Å; L140-R142 VanDerWaalsContact C-N 3.35Å; L140-R142 PolarHBondContact O-N 3.21Å; L140-W143 WeakPolarHBondContact O-CB 3.37Å; L140-W143 PolarHBondContact O-N 3.01Å; L140-I144 HydrophobicContact CD1-CD1 4.4Å; L140-I144 HydrophobicContact CD2-CD1 4.3Å; L140-I144 HydrophobicContact CG-CD1 3.88Å; L140-I144 HydrophobicContact CG-CG1 4.39Å; L140-I144 VanDerWaalsContact O-CG1 3.29Å; L140-I144 WeakPolarHBondContact O-CG1 3.42Å; L140-I144 PolarHBondContact O-N 3.34Å; L140-Y159 HydrophobicContact CD1-CD1 4.41Å; L140-Y159 HydrophobicContact CD1-CE1 3.93Å; L140-Y159 HydrophobicContact CD1-CE2 4.14Å; L140-Y159 HydrophobicContact CD2-CD1 4.24Å; L140-Y159 HydrophobicContact CD2-CE1 4.49Å; L140-Y159 HydrophobicContact CD2-CG 4.45Å; L140-V261 HydrophobicContact CD2-CB 4.33Å; L140-V261 HydrophobicContact CD2-CG1 3.49Å; L140-V261 VanDerWaalsContact CD2-CG1 3.49Å; L140-V261 HydrophobicContact CD2-CG2 3.96Å
141I89.7Confident89.7Confident40 Ų4059.9 Ų59.921%0.20532%0.315CS..Hα-helixtrans-63.3-43.2178.7-64.6-62.8000110.8Q137 P138 I144 S145 V161 W259 V261Q137-I141 WeakPolarHBondContact O-CG1 3.5Å; Q137-I141 PolarHBondContact O-N 3.2Å; Q137-I141 VanDerWaalsContact O-N 3.1Å; P138-I141 PolarHBondContact O-N 3.34Å; I141-I144 PolarHBondContact O-N 2.8Å; I141-S145 WeakPolarHBondContact O-CB 3.41Å; I141-S145 PolarHBondContact O-N 3.4Å; I141-V161 HydrophobicContact CD1-CG1 3.69Å; I141-V161 HydrophobicContact CD1-CG2 4.29Å; I141-W259 HydrophobicContact CD1-CB 4.25Å; I141-V261 HydrophobicContact CD1-CG2 3.69Å; I141-V261 HydrophobicContact CG1-CG2 4.07Å
142R90Very high90.1Very high169 Ų16955.8 Ų55.864%0.63829%0.287SS*.Hα-helixtrans-59.4-47.4173.3176.1177.9-89.2146.1-7.8111.1P138 C139 L140 I144 S145 E146P138-R142 WeakPolarHBondContact O-CB 3.39Å; P138-R142 PolarHBondContact O-N 3.3Å; C139-R142 PolarHBondContact O-N 3.4Å; L140-R142 VanDerWaalsContact C-N 3.35Å; L140-R142 PolarHBondContact O-N 3.21Å; R142-I144 PolarHBondContact O-N 2.91Å; R142-S145 WeakPolarHBondContact O-CB 3.4Å; R142-S145 PolarHBondContact O-N 2.92Å; R142-S145 VanDerWaalsContact O-N 3.15Å; R142-E146 VanDerWaalsContact CD-OE1 3.3Å; R142-E146 WeakPolarHBondContact CD-OE1 3.26Å; R142-E146 HydrophobicContact CG-CG 4.33Å; R142-E146 WeakPolarHBondContact CG-OE1 3.38Å; R142-E146 WeakPolarHBondContact O-CG 3.33Å; R142-E146 PolarHBondContact O-N 3.42Å
143W91.4Very high90.4Very high62 Ų6256.4 Ų56.424%0.23529%0.285CS..Hα-helixtrans-58.9-46.8178.4-179.2-99.9000113.4I112 C139 L140 S145 E146 R147 E153I112-W143 HydrophobicContact CD1-CB 3.97Å; I112-W143 HydrophobicContact CD1-CG 4.33Å; C139-W143 WeakPolarHBondContact O-CB 2.96Å; C139-W143 PolarHBondContact O-N 3.49Å; L140-W143 WeakPolarHBondContact O-CB 3.37Å; L140-W143 PolarHBondContact O-N 3.01Å; W143-S145 VanDerWaalsContact C-N 3.27Å; W143-S145 PolarHBondContact O-N 3.14Å; W143-E146 PolarHBondContact O-N 2.93Å; W143-R147 HydrophobicContact CD2-CG 4Å; W143-R147 HydrophobicContact CG-CG 4.39Å; W143-R147 HydrophobicContact CZ2-CG 3.94Å; W143-R147 WeakPolarHBondContact O-CB 3.38Å; W143-R147 WeakPolarHBondContact O-CG 3.26Å; W143-R147 PolarHBondContact O-N 3.03Å; W143-E153 WeakPolarHBondContact CZ2-OE1 3.36Å; W143-E153 WeakPolarHBondContact CZ2-OE2 3.32Å
144I91.1Very high90.6Very high6 Ų656.5 Ų56.53%0.03129%0.293CS..Hα-helixtrans-59.6-42.4176.1-70.1166.6000110.3L140 I141 R142 G148 S149 W150 Y159 V161L140-I144 HydrophobicContact CD1-CD1 4.4Å; L140-I144 HydrophobicContact CD2-CD1 4.3Å; L140-I144 HydrophobicContact CG-CD1 3.88Å; L140-I144 HydrophobicContact CG-CG1 4.39Å; L140-I144 VanDerWaalsContact O-CG1 3.29Å; L140-I144 WeakPolarHBondContact O-CG1 3.42Å; L140-I144 PolarHBondContact O-N 3.34Å; I141-I144 PolarHBondContact O-N 2.8Å; R142-I144 PolarHBondContact O-N 2.91Å; I144-G148 WeakPolarHBondContact O-CA 3.21Å; I144-G148 PolarHBondContact O-N 2.71Å; I144-S149 PolarHBondContact O-N 2.88Å; I144-W150 HydrophobicContact CD1-CE3 4.31Å; I144-W150 HydrophobicContact CG2-CD2 3.71Å; I144-W150 HydrophobicContact CG2-CE3 3.74Å; I144-W150 HydrophobicContact CG2-CG 4.22Å; I144-W150 HydrophobicContact CG2-CH2 4.31Å; I144-W150 HydrophobicContact CG2-CZ2 4.3Å; I144-W150 HydrophobicContact CG2-CZ3 4.04Å; I144-Y159 HydrophobicContact CD1-CD2 3.58Å; I144-Y159 HydrophobicContact CD1-CE2 4.23Å; I144-Y159 HydrophobicContact CD1-CG 4.11Å; I144-Y159 HydrophobicContact CG1-CD2 3.77Å; I144-Y159 HydrophobicContact CG1-CE2 3.99Å; I144-V161 HydrophobicContact CD1-CG2 4.18Å
145S87.9Confident90.6Very high35 Ų3557.8 Ų57.825%0.24530%0.301CS..Hα-helixtrans-65.3-41.3178.6-178.20000112.7I141 R142 W143 V343I141-S145 WeakPolarHBondContact O-CB 3.41Å; I141-S145 PolarHBondContact O-N 3.4Å; R142-S145 WeakPolarHBondContact O-CB 3.4Å; R142-S145 PolarHBondContact O-N 2.92Å; R142-S145 VanDerWaalsContact O-N 3.15Å; W143-S145 VanDerWaalsContact C-N 3.27Å; W143-S145 PolarHBondContact O-N 3.14Å; S145-V343 WeakPolarHBondContact OG-CG2 3.47Å
146E90.3Very high90.6Very high133 Ų13366.6 Ų66.662%0.62134%0.336SS*.Hα-helixtrans-72.3-42.2-180-73.4168.9-174.600111.6R142 W143R142-E146 VanDerWaalsContact CD-OE1 3.3Å; R142-E146 WeakPolarHBondContact CD-OE1 3.26Å; R142-E146 HydrophobicContact CG-CG 4.33Å; R142-E146 WeakPolarHBondContact CG-OE1 3.38Å; R142-E146 WeakPolarHBondContact O-CG 3.33Å; R142-E146 PolarHBondContact O-N 3.42Å; W143-E146 PolarHBondContact O-N 2.93Å
147R89.6Confident90.4Very high146 Ų14668.1 Ų68.155%0.55134%0.342SS*.Hα-helixtrans-76.8-22.7178-68-64.4-133175.15.7113.4W143 S149 E153W143-R147 HydrophobicContact CD2-CG 4Å; W143-R147 HydrophobicContact CG-CG 4.39Å; W143-R147 HydrophobicContact CZ2-CG 3.94Å; W143-R147 WeakPolarHBondContact O-CB 3.38Å; W143-R147 WeakPolarHBondContact O-CG 3.26Å; W143-R147 PolarHBondContact O-N 3.03Å; R147-S149 PolarHBondContact O-N 3.41Å; R147-E153 IonicContact CZ-OE2 3.95Å; R147-E153 IonicContact NE-OE2 2.86Å; R147-E153 IonicContact NH2-OE2 2.58Å; R147-E153 PolarHBondContact NH2-OE2 2.67Å
148G88.2Confident90.4Very high63 Ų6371.4 Ų71.465%0.64936%0.356SS*.THydrogen-bonded Turntrans66.616.5-172.700000114.2I144I144-G148 WeakPolarHBondContact O-CA 3.21Å; I144-G148 PolarHBondContact O-N 2.71Å
149S89.6Confident90.4Very high54 Ų5467.3 Ų67.338%0.37833%0.328SS..  trans-122.1128.7-177.51800000111.3I144 R147 S151I144-S149 PolarHBondContact O-N 2.88Å; R147-S149 PolarHBondContact O-N 3.41Å; S149-S151 PolarHBondContact O-N 2.88Å; S149-S151 PolarHBondContact OG-N 2.83Å; S149-S151 PolarHBondContact OG-O 3.16Å
150W89.4Confident90.2Very high61 Ų6169.8 Ų69.823%0.23134%0.337CS..SBendtrans-87.511175.4-63.888.9000113I144 Y159 V161I144-W150 HydrophobicContact CD1-CE3 4.31Å; I144-W150 HydrophobicContact CG2-CD2 3.71Å; I144-W150 HydrophobicContact CG2-CE3 3.74Å; I144-W150 HydrophobicContact CG2-CG 4.22Å; I144-W150 HydrophobicContact CG2-CH2 4.31Å; I144-W150 HydrophobicContact CG2-CZ2 4.3Å; I144-W150 HydrophobicContact CG2-CZ3 4.04Å; W150-Y159 VanDerWaalsContact O-CD2 3.27Å; W150-Y159 WeakPolarHBondContact O-CD2 3.2Å; W150-Y159 PolarHBondContact O-N 2.88Å; W150-V161 HydrophobicContact CE3-CB 4.37Å; W150-V161 HydrophobicContact CE3-CG2 4.07Å; W150-V161 HydrophobicContact CZ3-CB 3.81Å; W150-V161 HydrophobicContact CZ3-CG1 4.16Å; W150-V161 HydrophobicContact CZ3-CG2 3.81Å
151S92.2Very high89.9Confident44 Ų4471 Ų7131%0.30835%0.345SS..BIsolated β-bridgetrans-119.3146.6-179.3-60.40000111S149 F157 Y159S149-S151 PolarHBondContact O-N 2.88Å; S149-S151 PolarHBondContact OG-N 2.83Å; S149-S151 PolarHBondContact OG-O 3.16Å; S151-F157 WeakPolarHBondContact CA-O 3.43Å; S151-Y159 VanDerWaalsContact C-CE2 3.49Å
152C92.3Very high89.5Confident1 Ų173.4 Ų73.41%0.00736%0.358CS..  trans-64.7135.3174.1-1760000111C126 L154 C155 Y156 F157 Y159C126-C152 HydrophobicContact CB-CB 3.98Å; C152-L154 VanDerWaalsContact C-N 3.28Å; C152-L154 PolarHBondContact O-N 3.36Å; C152-C155 VanDerWaalsContact SG-SG 3.61Å; C152-Y156 WeakPolarHBondContact O-CA 3.4Å; C152-Y156 PolarHBondContact O-N 2.96Å; C152-F157 PolarHBondContact N-O 3.42Å; C152-Y159 WeakPolarHBondContact CA-OH 3.39Å; C152-Y159 HydrophobicContact CB-CE1 3.92Å
153E92.4Very high88.9Confident74 Ų7467.3 Ų67.335%0.34634%0.343SS..THydrogen-bonded Turntrans-74.1-15.318071.9-153.9140.900114.4R111 W143 R147R111-E153 IonicContact NH1-OE1 3.5Å; R111-E153 IonicContact NH2-OE1 3.91Å; W143-E153 WeakPolarHBondContact CZ2-OE1 3.36Å; W143-E153 WeakPolarHBondContact CZ2-OE2 3.32Å; R147-E153 IonicContact CZ-OE2 3.95Å; R147-E153 IonicContact NE-OE2 2.86Å; R147-E153 IonicContact NH2-OE2 2.58Å; R147-E153 PolarHBondContact NH2-OE2 2.67Å
154L91.9Very high88.1Confident101 Ų10169.5 Ų69.553%0.52936%0.359SS..THydrogen-bonded Turntrans-98.4-54.6-177.2-64167.2000111.3V132 C152V132-L154 HydrophobicContact CB-CD1 4.46Å; V132-L154 HydrophobicContact CG2-CD1 4.49Å; C152-L154 VanDerWaalsContact C-N 3.28Å; C152-L154 PolarHBondContact O-N 3.36Å
155C90.5Very high87Confident42 Ų4272.4 Ų72.428%0.28438%0.379SS..THydrogen-bonded Turntrans-102.51.4-176.266.60000113.7R127 C152 F157R127-C155 HydrophobicContact CB-CB 4.17Å; C152-C155 VanDerWaalsContact SG-SG 3.61Å; C155-F157 PolarHBondContact O-N 2.86Å
156Y90.3Very high86.4Confident185 Ų18573.7 Ų73.773%0.72539%0.386SS*.  trans56.29.8-179.2-59.8-79.3000115.8C152C152-Y156 WeakPolarHBondContact O-CA 3.4Å; C152-Y156 PolarHBondContact O-N 2.96Å
157F89.5Confident85.7Confident37 Ų3770 Ų7016%0.16237%0.368CS..PPolyproline II helixtrans-70.7132.2177.1-172.7-101.4000111.1C126 R127 S151 C152 C155 Y159 Y264C126-F157 HydrophobicContact CB-CB 4.4Å; C126-F157 HydrophobicContact CB-CD1 4.34Å; R127-F157 HydrophobicContact CG-CB 4.18Å; R127-F157 HydrophobicContact CG-CD2 4.01Å; R127-F157 HydrophobicContact CG-CG 4.04Å; S151-F157 WeakPolarHBondContact CA-O 3.43Å; C152-F157 PolarHBondContact N-O 3.42Å; C155-F157 PolarHBondContact O-N 2.86Å; F157-Y159 PolarHBondContact O-N 3.23Å; F157-Y264 HydrophobicContact CD1-CD2 4.09Å; F157-Y264 HydrophobicContact CD1-CE2 4.41Å; F157-Y264 HydrophobicContact CD2-CE2 4.3Å; F157-Y264 AromaticContact CE1-CD2 3.37Å; F157-Y264 HydrophobicContact CE1-CD2 3.37Å; F157-Y264 AromaticContact CE1-CE2 3.73Å; F157-Y264 HydrophobicContact CE1-CE2 3.73Å; F157-Y264 HydrophobicContact CE1-CG 4.34Å; F157-Y264 HydrophobicContact CE2-CD2 4.14Å; F157-Y264 AromaticContact CE2-CE2 3.59Å; F157-Y264 HydrophobicContact CE2-CE2 3.59Å; F157-Y264 AromaticContact CZ-CD2 3.41Å; F157-Y264 HydrophobicContact CZ-CD2 3.41Å; F157-Y264 VanDerWaalsContact CZ-CD2 3.41Å; F157-Y264 AromaticContact CZ-CE2 3.26Å; F157-Y264 HydrophobicContact CZ-CE2 3.26Å
158K90Very high85.1Confident130 Ų13068.5 Ų68.557%0.56537%0.371SS*.BIsolated β-bridgetrans-72.3122.3177.4-173.5167.9-176157.20110.7Q160K158-Q160 PolarHBondContact O-N 3.38Å
159Y90.2Very high84.4Confident8 Ų869.9 Ų69.93%0.03137%0.368CS..PPolyproline II helixtrans-61.7134.8177.4-59.8-58.5000111R111 P125 C126 L140 I144 W150 S151 C152 F157 V161R111-Y159 PolarHBondContact NH2-OH 3.2Å; P125-Y159 HydrophobicContact CB-CD1 3.84Å; P125-Y159 HydrophobicContact CB-CE1 4.21Å; P125-Y159 HydrophobicContact CG-CD1 4.11Å; P125-Y159 HydrophobicContact CG-CE1 3.95Å; C126-Y159 HydrophobicContact CB-CD1 4.4Å; C126-Y159 HydrophobicContact CB-CE1 3.99Å; L140-Y159 HydrophobicContact CD1-CD1 4.41Å; L140-Y159 HydrophobicContact CD1-CE1 3.93Å; L140-Y159 HydrophobicContact CD1-CE2 4.14Å; L140-Y159 HydrophobicContact CD2-CD1 4.24Å; L140-Y159 HydrophobicContact CD2-CE1 4.49Å; L140-Y159 HydrophobicContact CD2-CG 4.45Å; I144-Y159 HydrophobicContact CD1-CD2 3.58Å; I144-Y159 HydrophobicContact CD1-CE2 4.23Å; I144-Y159 HydrophobicContact CD1-CG 4.11Å; I144-Y159 HydrophobicContact CG1-CD2 3.77Å; I144-Y159 HydrophobicContact CG1-CE2 3.99Å; W150-Y159 VanDerWaalsContact O-CD2 3.27Å; W150-Y159 WeakPolarHBondContact O-CD2 3.2Å; W150-Y159 PolarHBondContact O-N 2.88Å; S151-Y159 VanDerWaalsContact C-CE2 3.49Å; C152-Y159 WeakPolarHBondContact CA-OH 3.39Å; C152-Y159 HydrophobicContact CB-CE1 3.92Å; F157-Y159 PolarHBondContact O-N 3.23Å; Y159-V161 PolarHBondContact O-N 3.3Å
160Q85.8Confident83.4Confident74 Ų7475.2 Ų75.235%0.34639%0.392SS..  trans-9093.4175.7-71.6175.454.900109.6K158 L262K158-Q160 PolarHBondContact O-N 3.38Å; Q160-L262 HydrophobicContact CB-CB 3.96Å; Q160-L262 PolarHBondContact O-N 3.4Å
161V85.7Confident82.9Confident27 Ų2778.4 Ų78.416%0.16441%0.409CS..EExtended strand (participates in β ladder)trans-110120.5176.9-1690000109I141 I144 W150 Y159 W259 V261I141-V161 HydrophobicContact CD1-CG1 3.69Å; I141-V161 HydrophobicContact CD1-CG2 4.29Å; I144-V161 HydrophobicContact CD1-CG2 4.18Å; W150-V161 HydrophobicContact CE3-CB 4.37Å; W150-V161 HydrophobicContact CE3-CG2 4.07Å; W150-V161 HydrophobicContact CZ3-CB 3.81Å; W150-V161 HydrophobicContact CZ3-CG1 4.16Å; W150-V161 HydrophobicContact CZ3-CG2 3.81Å; Y159-V161 PolarHBondContact O-N 3.3Å; V161-W259 HydrophobicContact CG1-CB 4.03Å; V161-W259 HydrophobicContact CG1-CE3 3.93Å; V161-V261 HydrophobicContact CG1-CG2 4.42Å; V161-V261 HydrophobicContact CG2-CG2 4.17Å
162L80.8Confident82.4Confident89 Ų8982 Ų8247%0.46642%0.416SS..EExtended strand (participates in β ladder)trans-112.8138.8179.1-77.5124.7000110W259 K260 L262L162-W259 WeakPolarHBondContact O-CA 3.49Å; L162-K260 PolarHBondContact N-O 3.47Å; L162-K260 PolarHBondContact O-N 3.3Å; L162-L262 HydrophobicContact CB-CD1 4.39Å; L162-L262 HydrophobicContact CD1-CD1 3.3Å; L162-L262 HydrophobicContact CD1-CD2 3.51Å; L162-L262 HydrophobicContact CD1-CG 3.97Å; L162-L262 HydrophobicContact CG-CD1 4.44Å
163A78.8Confident81.8Confident41 Ų4187.1 Ų87.134%0.33944%0.44SS..EExtended strand (participates in β ladder)trans-82.6115.3166.200000109Q257 Q258 W259A163-Q257 HydrophobicContact CB-CG 3.76Å; A163-Q258 WeakPolarHBondContact CA-O 3.47Å; A163-W259 HydrophobicContact CB-CE3 3.97Å; A163-W259 HydrophobicContact CB-CH2 4.32Å; A163-W259 HydrophobicContact CB-CZ3 3.84Å
164I73.8Confident81.2Confident109 Ų10988.5 Ų88.556%0.55946%0.464SS*.EExtended strand (participates in β ladder)trans-86.8-50.4-174.2-52.7159.8000111.4Q258 K260I164-Q258 PolarHBondContact N-O 3.1Å; I164-Q258 VanDerWaalsContact N-O 3.09Å; I164-K260 HydrophobicContact CD1-CB 3.1Å; I164-K260 HydrophobicContact CD1-CD 3.59Å; I164-K260 HydrophobicContact CD1-CG 3.96Å; I164-K260 HydrophobicContact CG1-CB 3.6Å; I164-K260 HydrophobicContact CG1-CD 4.39Å
165S67.3Low80.9Confident66 Ų6685.2 Ų85.246%0.46245%0.447SS..EExtended strand (participates in β ladder)trans-166.9163.8-174.8-166.60000110.7Q258S165-Q258 WeakPolarHBondContact O-CB 3.44Å; S165-Q258 PolarHBondContact O-N 3.37Å
166T76.1Confident80.5Confident63 Ų6387.8 Ų87.839%0.38747%0.465SS..EExtended strand (participates in β ladder)trans-65.4142.8163.447.80000109.4W252T166-W252 HydrophobicContact CG2-CH2 4.44Å
167K75.5Confident80.3Confident56 Ų5681.8 Ų81.824%0.24345%0.445CS..PPolyproline II helixtrans-50.5155.8171-68.7172.4-176.9166.20110Q171 W172 V255 N256 Q258K167-Q171 HydrophobicContact CB-CB 4.3Å; K167-W172 PolarHBondContact O-NE1 3.45Å; K167-V255 PolarHBondContact NZ-O 3.38Å; K167-V255 VanDerWaalsContact NZ-O 3.1Å; K167-N256 WeakPolarHBondContact CG-O 3.43Å; K167-N256 PolarHBondContact N-O 3.09Å; K167-Q258 HydrophobicContact CB-CG 4.32Å; K167-Q258 HydrophobicContact CD-CG 4.45Å; K167-Q258 HydrophobicContact CG-CG 3.35Å
168N75.9Confident80.4Confident114 Ų11483.5 Ų83.561%0.6146%0.459SS*.PPolyproline II helixtrans-53144.6168.8-73-59.6000110L170 Q171N168-L170 PolarHBondContact O-N 3.27Å; N168-L170 VanDerWaalsContact O-N 3.09Å; N168-Q171 WeakPolarHBondContact O-CA 3.22Å; N168-Q171 PolarHBondContact O-N 3.19Å
169P73.9Confident80.4Confident91 Ų9182.6 Ų82.659%0.59146%0.464SS*.G310 helixtrans-56.8-30.5-175.721.5-32.9000113.3Q171 W172P169-Q171 PolarHBondContact O-N 2.98Å; P169-W172 HydrophobicContact CB-CD2 4.32Å; P169-W172 HydrophobicContact CB-CH2 4.43Å; P169-W172 HydrophobicContact CB-CZ2 4.2Å; P169-W172 WeakPolarHBondContact O-CB 3.26Å; P169-W172 PolarHBondContact O-N 3.21Å
170L70.1Confident80.4Confident166 Ų16688.1 Ų88.187%0.86949%0.493SS*.G310 helixtrans-68.6-18.6175.9-65.5166.3000114.1N168N168-L170 PolarHBondContact O-N 3.27Å; N168-L170 VanDerWaalsContact O-N 3.09Å
171Q76.9Confident80.7Confident129 Ų12985.9 Ų85.960%0.60348%0.482SS*.G310 helixtrans-107.710.7-177.7-64.2-70.3-39.800111.7K167 N168 P169 Q173K167-Q171 HydrophobicContact CB-CB 4.3Å; N168-Q171 WeakPolarHBondContact O-CA 3.22Å; N168-Q171 PolarHBondContact O-N 3.19Å; P169-Q171 PolarHBondContact O-N 2.98Å; Q171-Q173 PolarHBondContact O-N 2.98Å
172W82.3Confident80.9Confident118 Ų11890.5 Ų90.545%0.44750%0.5SS..PPolyproline II helixtrans-68.8127.7179.1-73.1-0.3000110.7K167 P169 W252 N256K167-W172 PolarHBondContact O-NE1 3.45Å; P169-W172 HydrophobicContact CB-CD2 4.32Å; P169-W172 HydrophobicContact CB-CH2 4.43Å; P169-W172 HydrophobicContact CB-CZ2 4.2Å; P169-W172 WeakPolarHBondContact O-CB 3.26Å; P169-W172 PolarHBondContact O-N 3.21Å; W172-W252 HydrophobicContact CD2-CH2 4.34Å; W172-W252 AromaticContact CD2-CZ2 3.59Å; W172-W252 HydrophobicContact CD2-CZ2 3.59Å; W172-W252 AromaticContact CE2-CZ2 3.73Å; W172-W252 AromaticContact CE3-CZ2 3.72Å; W172-W252 HydrophobicContact CE3-CZ2 3.72Å; W172-W252 HydrophobicContact CG-CZ2 4.13Å; W172-W252 HydrophobicContact CH2-CH2 4.18Å; W172-W252 HydrophobicContact CH2-CZ2 4.12Å; W172-W252 AromaticContact CZ2-CH2 3.95Å; W172-W252 HydrophobicContact CZ2-CH2 3.95Å; W172-W252 HydrophobicContact CZ2-CZ2 4.02Å; W172-W252 HydrophobicContact CZ3-CH2 4.47Å; W172-W252 AromaticContact CZ3-CZ2 3.98Å; W172-W252 HydrophobicContact CZ3-CZ2 3.98Å; W172-N256 WeakPolarHBondContact CA-OD1 3.5Å
173Q80.6Confident81.5Confident109 Ų10990.7 Ų90.751%0.50951%0.505SS..PPolyproline II helixtrans-82.3121.2171.4-63.7-66.8-7500108Q171 V255 N256Q171-Q173 PolarHBondContact O-N 2.98Å; Q173-V255 HydrophobicContact CB-CG1 3.82Å; Q173-V255 HydrophobicContact CG-CG1 4.43Å; Q173-N256 PolarHBondContact N-OD1 3.37Å; Q173-N256 PolarHBondContact O-ND2 3.31Å
174A78.6Confident82.1Confident103 Ų10391 Ų9185%0.85150%0.499SS*.PPolyproline II helixtrans-69.9133.2172.300000109.1
175I85.3Confident82.9Confident33 Ų3388.3 Ų88.317%0.16949%0.485CS..PPolyproline II helixtrans-93.3142.5172.6-144.9153.7000108.8L177 R251 V255I175-L177 HydrophobicContact CG2-CD2 4.17Å; I175-L177 HydrophobicContact CG2-CG 4.26Å; I175-L177 PolarHBondContact O-N 3.34Å; I175-L177 VanDerWaalsContact O-N 3.08Å; I175-R251 HydrophobicContact CD1-CB 4.24Å; I175-R251 HydrophobicContact CD1-CG 3.52Å; I175-V255 HydrophobicContact CD1-CG2 3.91Å
176S82.8Confident84.1Confident95 Ų9587.3 Ų87.366%0.66448%0.481SS*.  trans-67.6109.2174.146.80000109.5
177L86.5Confident84.8Confident60 Ų6087 Ų8731%0.31449%0.485SS..  trans-90.4130.5174.8-68.4165.7000109.6I175 E181 K182 I185 I248I175-L177 HydrophobicContact CG2-CD2 4.17Å; I175-L177 HydrophobicContact CG2-CG 4.26Å; I175-L177 PolarHBondContact O-N 3.34Å; I175-L177 VanDerWaalsContact O-N 3.08Å; L177-E181 HydrophobicContact CD2-CB 4.29Å; L177-K182 HydrophobicContact CB-CG 4.03Å; L177-K182 WeakPolarHBondContact O-CE 3.48Å; L177-I185 HydrophobicContact CD1-CD1 4.24Å; L177-I185 HydrophobicContact CD2-CD1 4.36Å; L177-I248 HydrophobicContact CD2-CG2 3.41Å; L177-I248 VanDerWaalsContact CD2-CG2 3.41Å
178T91.1Very high85.7Confident72 Ų7285.6 Ų85.644%0.44248%0.48SS..  trans-67.2158171.6640000110.7I180 E181 K182T178-I180 PolarHBondContact O-N 2.96Å; T178-E181 PolarHBondContact N-OE2 3.27Å; T178-E181 PolarHBondContact O-N 3.44Å; T178-E181 WeakPolarHBondContact OG1-CB 3.25Å; T178-E181 VanDerWaalsContact OG1-CD 3.24Å; T178-E181 WeakPolarHBondContact OG1-CG 3.3Å; T178-E181 PolarHBondContact OG1-N 2.98Å; T178-E181 PolarHBondContact OG1-OE2 3.08Å; T178-K182 WeakPolarHBondContact O-CG 3.2Å; T178-K182 PolarHBondContact O-N 3.29Å
179V91Very high86.5Confident112 Ų11283.9 Ų83.968%0.67947%0.473SS*.Hα-helixtrans-58.5-38.9178.5179.50000111K182 V183V179-K182 WeakPolarHBondContact O-CB 3.29Å; V179-K182 PolarHBondContact O-N 3.43Å; V179-V183 WeakPolarHBondContact O-CG2 3.48Å; V179-V183 PolarHBondContact O-N 2.93Å
180I90.5Very high87.5Confident123 Ų12385.2 Ų85.263%0.63148%0.475SS*.Hα-helixtrans-62-47.6178.4-56.9169.5000110.5T178 K182 V183 Q184T178-I180 PolarHBondContact O-N 2.96Å; I180-K182 VanDerWaalsContact C-N 3.29Å; I180-K182 PolarHBondContact O-N 3.38Å; I180-V183 PolarHBondContact O-N 3.14Å; I180-Q184 WeakPolarHBondContact O-CG 3.13Å; I180-Q184 PolarHBondContact O-N 2.87Å
181E90.3Very high88.6Confident28 Ų2878.2 Ų78.213%0.13144%0.443CS..Hα-helixtrans-60.9-37.9177.2-73.9170.5144.500112.1L177 T178 Q184 I185 I248L177-E181 HydrophobicContact CD2-CB 4.29Å; T178-E181 PolarHBondContact N-OE2 3.27Å; T178-E181 PolarHBondContact O-N 3.44Å; T178-E181 WeakPolarHBondContact OG1-CB 3.25Å; T178-E181 VanDerWaalsContact OG1-CD 3.24Å; T178-E181 WeakPolarHBondContact OG1-CG 3.3Å; T178-E181 PolarHBondContact OG1-N 2.98Å; T178-E181 PolarHBondContact OG1-OE2 3.08Å; E181-Q184 PolarHBondContact O-N 2.88Å; E181-I185 WeakPolarHBondContact O-CD1 3.47Å; E181-I185 VanDerWaalsContact O-CG1 3.25Å; E181-I185 WeakPolarHBondContact O-CG1 3.43Å; E181-I185 PolarHBondContact O-N 2.94Å; E181-I248 HydrophobicContact CB-CD1 3.64Å; E181-I248 HydrophobicContact CG-CD1 3.59Å; E181-I248 HydrophobicContact CG-CG1 4.06Å
182K90.2Very high89.4Confident123 Ų12374 Ų7454%0.53543%0.428SS..Hα-helixtrans-64.1-44.9175.5-68.2177.2-177.7-177.20112L177 T178 V179 I180 Q184 I185 A186L177-K182 HydrophobicContact CB-CG 4.03Å; L177-K182 WeakPolarHBondContact O-CE 3.48Å; T178-K182 WeakPolarHBondContact O-CG 3.2Å; T178-K182 PolarHBondContact O-N 3.29Å; V179-K182 WeakPolarHBondContact O-CB 3.29Å; V179-K182 PolarHBondContact O-N 3.43Å; I180-K182 VanDerWaalsContact C-N 3.29Å; I180-K182 PolarHBondContact O-N 3.38Å; K182-Q184 VanDerWaalsContact C-N 3.33Å; K182-I185 PolarHBondContact O-N 3.02Å; K182-A186 WeakPolarHBondContact O-CB 3.48Å; K182-A186 PolarHBondContact O-N 3.4Å
183V93.6Very high90.1Very high94 Ų9473.9 Ų73.957%0.5744%0.435SS*.Hα-helixtrans-63-42177.31740000110.6V179 I180 I185 A186 A187V179-V183 WeakPolarHBondContact O-CG2 3.48Å; V179-V183 PolarHBondContact O-N 2.93Å; I180-V183 PolarHBondContact O-N 3.14Å; V183-I185 PolarHBondContact O-N 3.24Å; V183-A186 PolarHBondContact O-N 3.35Å; V183-A187 WeakPolarHBondContact O-CB 3.28Å; V183-A187 PolarHBondContact O-N 3.35Å
184Q91.3Very high90.8Very high46 Ų4673.5 Ų73.522%0.21543%0.432CS..Hα-helixtrans-61.8-43.3176-72.7178.3-31.600112.3I180 E181 K182 A187 I188 S244I180-Q184 WeakPolarHBondContact O-CG 3.13Å; I180-Q184 PolarHBondContact O-N 2.87Å; E181-Q184 PolarHBondContact O-N 2.88Å; K182-Q184 VanDerWaalsContact C-N 3.33Å; Q184-A187 PolarHBondContact O-N 2.68Å; Q184-I188 WeakPolarHBondContact O-CG1 3.4Å; Q184-I188 PolarHBondContact O-N 3.4Å; Q184-S244 PolarHBondContact OE1-OG 2.46Å
185I90.9Very high91.6Very high53 Ų5369.7 Ų69.727%0.27240%0.398SS..Hα-helixtrans-62.7-46.8175.8-68.3164.3000110.4L177 E181 K182 V183 A187 I188 V189 V245 I248L177-I185 HydrophobicContact CD1-CD1 4.24Å; L177-I185 HydrophobicContact CD2-CD1 4.36Å; E181-I185 WeakPolarHBondContact O-CD1 3.47Å; E181-I185 VanDerWaalsContact O-CG1 3.25Å; E181-I185 WeakPolarHBondContact O-CG1 3.43Å; E181-I185 PolarHBondContact O-N 2.94Å; K182-I185 PolarHBondContact O-N 3.02Å; V183-I185 PolarHBondContact O-N 3.24Å; I185-A187 VanDerWaalsContact C-N 3.33Å; I185-A187 PolarHBondContact O-N 2.66Å; I185-I188 PolarHBondContact O-N 2.91Å; I185-V189 HydrophobicContact CG2-CG2 4.31Å; I185-V189 VanDerWaalsContact O-CG2 3.3Å; I185-V189 WeakPolarHBondContact O-CG2 3.41Å; I185-V189 PolarHBondContact O-N 2.92Å; I185-V245 HydrophobicContact CG1-CG1 4.27Å; I185-V245 HydrophobicContact CG1-CG2 3.8Å; I185-I248 HydrophobicContact CD1-CD1 4.21Å; I185-I248 HydrophobicContact CG1-CD1 4.43Å
186A92.4Very high92.1Very high46 Ų4671.9 Ų71.938%0.3841%0.412SS..Hα-helixtrans-59.6-43.6178.300000111.8K182 V183 I188 V189 L190K182-A186 WeakPolarHBondContact O-CB 3.48Å; K182-A186 PolarHBondContact O-N 3.4Å; V183-A186 PolarHBondContact O-N 3.35Å; A186-I188 PolarHBondContact O-N 3.39Å; A186-V189 PolarHBondContact O-N 3.27Å; A186-L190 WeakPolarHBondContact O-CB 3.44Å; A186-L190 VanDerWaalsContact O-CG 3.28Å; A186-L190 WeakPolarHBondContact O-CG 3.33Å; A186-L190 PolarHBondContact O-N 3.47Å
187A91.9Very high92.8Very high56 Ų5670.2 Ų70.246%0.46340%0.404SS..Hα-helixtrans-60.7-4417700000112.2V183 Q184 I185 G191V183-A187 WeakPolarHBondContact O-CB 3.28Å; V183-A187 PolarHBondContact O-N 3.35Å; Q184-A187 PolarHBondContact O-N 2.68Å; I185-A187 VanDerWaalsContact C-N 3.33Å; I185-A187 PolarHBondContact O-N 2.66Å; A187-G191 PolarHBondContact O-N 3.42Å
188I93Very high93.2Very high27 Ų2767.8 Ų67.814%0.13839%0.392CS..Hα-helixtrans-65.8-41.8176.7-67.8-177.8000111.3Q184 I185 A186 S192 E241 V245Q184-I188 WeakPolarHBondContact O-CG1 3.4Å; Q184-I188 PolarHBondContact O-N 3.4Å; I185-I188 PolarHBondContact O-N 2.91Å; A186-I188 PolarHBondContact O-N 3.39Å; I188-S192 WeakPolarHBondContact O-CB 3.39Å; I188-S192 PolarHBondContact O-N 2.94Å; I188-S192 PolarHBondContact O-OG 3.41Å; I188-E241 HydrophobicContact CD1-CB 3.96Å; I188-E241 HydrophobicContact CG1-CB 4.07Å; I188-V245 HydrophobicContact CD1-CB 3.93Å; I188-V245 HydrophobicContact CD1-CG2 3.43Å; I188-V245 VanDerWaalsContact CD1-CG2 3.43Å
189V93.6Very high93.4Very high77 Ų7767.4 Ų67.447%0.46739%0.387SS..Hα-helixtrans-63.2-50.8178.9170.60000110.3I185 A186 S192 L193I185-V189 HydrophobicContact CG2-CG2 4.31Å; I185-V189 VanDerWaalsContact O-CG2 3.3Å; I185-V189 WeakPolarHBondContact O-CG2 3.41Å; I185-V189 PolarHBondContact O-N 2.92Å; A186-V189 PolarHBondContact O-N 3.27Å; V189-S192 PolarHBondContact O-N 3.33Å; V189-L193 HydrophobicContact CG1-CD1 4.08Å; V189-L193 VanDerWaalsContact O-CG 3.29Å; V189-L193 WeakPolarHBondContact O-CG 3.34Å; V189-L193 PolarHBondContact O-N 3.06Å
190L93.9Very high93.6Very high119 Ų11965.2 Ų65.262%0.62338%0.376SS*.Hα-helixtrans-62.4-44.5178.6-68.2173.2000111.8A186 S192 L193 F194A186-L190 WeakPolarHBondContact O-CB 3.44Å; A186-L190 VanDerWaalsContact O-CG 3.28Å; A186-L190 WeakPolarHBondContact O-CG 3.33Å; A186-L190 PolarHBondContact O-N 3.47Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 3.49Å; L190-L193 PolarHBondContact O-N 3.29Å; L190-F194 PolarHBondContact O-N 2.84Å
191G94.2Very high93.7Very high20 Ų2064.7 Ų64.721%0.20637%0.367CS..Hα-helixtrans-62.4-39.4176.200000112.8A187 L195A187-G191 PolarHBondContact O-N 3.42Å; G191-L195 VanDerWaalsContact O-CB 3.31Å; G191-L195 WeakPolarHBondContact O-CB 3.45Å; G191-L195 PolarHBondContact O-N 3.46Å
192S94.5Very high93.8Very high41 Ų4165 Ų6529%0.28737%0.369SS..Hα-helixtrans-68.3-40.4176.9-590000111.9I188 V189 L190 L195 V196I188-S192 WeakPolarHBondContact O-CB 3.39Å; I188-S192 PolarHBondContact O-N 2.94Å; I188-S192 PolarHBondContact O-OG 3.41Å; V189-S192 PolarHBondContact O-N 3.33Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 3.49Å; S192-L195 PolarHBondContact O-N 2.88Å; S192-V196 WeakPolarHBondContact O-CB 3.17Å; S192-V196 VanDerWaalsContact O-CG2 3.26Å; S192-V196 WeakPolarHBondContact O-CG2 3.48Å; S192-V196 PolarHBondContact O-N 2.98Å
193L95.9Very high93.8Very high114 Ų11463.4 Ų63.460%0.59737%0.365SS*.Hα-helixtrans-62.7-45.4175.9-71.9171.9000111.4V189 L190 V196 A197V189-L193 HydrophobicContact CG1-CD1 4.08Å; V189-L193 VanDerWaalsContact O-CG 3.29Å; V189-L193 WeakPolarHBondContact O-CG 3.34Å; V189-L193 PolarHBondContact O-N 3.06Å; L190-L193 PolarHBondContact O-N 3.29Å; L193-V196 PolarHBondContact O-N 2.94Å; L193-A197 WeakPolarHBondContact O-CB 3.41Å; L193-A197 PolarHBondContact O-N 2.87Å
194F95.1Very high93.7Very high101 Ų10167.8 Ų67.844%0.44337%0.372SS..Hα-helixtrans-60.6-47.7175.3177.3-99.5000111.7L190 V196 A197 S198L190-F194 PolarHBondContact O-N 2.84Å; F194-V196 VanDerWaalsContact C-N 3.34Å; F194-V196 PolarHBondContact O-N 3.29Å; F194-A197 PolarHBondContact O-N 2.81Å; F194-S198 WeakPolarHBondContact O-CB 3.5Å; F194-S198 PolarHBondContact O-N 3.32Å
195L96.1Very high93.5Very high24 Ų2466.5 Ų66.513%0.12637%0.368CS..Hα-helixtrans-57.8-45.7177.8-169.989.4000111.7G191 S192 S198 I199 D231 C234 I235 I238G191-L195 VanDerWaalsContact O-CB 3.31Å; G191-L195 WeakPolarHBondContact O-CB 3.45Å; G191-L195 PolarHBondContact O-N 3.46Å; S192-L195 PolarHBondContact O-N 2.88Å; L195-S198 PolarHBondContact O-N 3.3Å; L195-I199 HydrophobicContact CD1-CD1 4.37Å; L195-I199 HydrophobicContact CD2-CD1 3.92Å; L195-I199 HydrophobicContact CG-CD1 3.74Å; L195-I199 HydrophobicContact CG-CG1 4.4Å; L195-I199 WeakPolarHBondContact O-CB 3.49Å; L195-I199 VanDerWaalsContact O-CG1 3.27Å; L195-I199 WeakPolarHBondContact O-CG1 3.34Å; L195-I199 PolarHBondContact O-N 3.03Å; L195-D231 HydrophobicContact CD1-CB 4.01Å; L195-D231 WeakPolarHBondContact CD1-O 3.45Å; L195-C234 HydrophobicContact CD1-CB 3.79Å; L195-I235 HydrophobicContact CD1-CD1 4.15Å; L195-I235 HydrophobicContact CD1-CG1 3.62Å; L195-I235 HydrophobicContact CD2-CG1 4Å; L195-I235 HydrophobicContact CG-CG1 4.46Å; L195-I238 HydrophobicContact CD2-CD1 4.3Å
196V96.4Very high93.2Very high78 Ų7867.1 Ų67.147%0.47338%0.377SS..Hα-helixtrans-64.4-42.6179.6169.80000111.1S192 L193 F194 S200S192-V196 WeakPolarHBondContact O-CB 3.17Å; S192-V196 VanDerWaalsContact O-CG2 3.26Å; S192-V196 WeakPolarHBondContact O-CG2 3.48Å; S192-V196 PolarHBondContact O-N 2.98Å; L193-V196 PolarHBondContact O-N 2.94Å; F194-V196 VanDerWaalsContact C-N 3.34Å; F194-V196 PolarHBondContact O-N 3.29Å; V196-S200 WeakPolarHBondContact O-CB 3.45Å; V196-S200 PolarHBondContact O-N 2.99Å; V196-S200 PolarHBondContact O-OG 3.33Å
197A96.3Very high92.8Very high61 Ų6171 Ų7150%0.50439%0.391SS..Hα-helixtrans-63.1-45.8176.800000111.7L193 F194 S200 W201L193-A197 WeakPolarHBondContact O-CB 3.41Å; L193-A197 PolarHBondContact O-N 2.87Å; F194-A197 PolarHBondContact O-N 2.81Å; A197-S200 PolarHBondContact O-N 2.83Å; A197-W201 WeakPolarHBondContact O-CB 3.32Å; A197-W201 PolarHBondContact O-N 3.33Å
198S95.4Very high92.5Very high8 Ų869.5 Ų69.56%0.05638%0.377CS..Hα-helixtrans-61.7-51.6178.1-177.30000111.8F194 L195 S200 W201 L202 D231F194-S198 WeakPolarHBondContact O-CB 3.5Å; F194-S198 PolarHBondContact O-N 3.32Å; L195-S198 PolarHBondContact O-N 3.3Å; S198-S200 VanDerWaalsContact C-N 3.32Å; S198-S200 PolarHBondContact O-N 3.05Å; S198-W201 WeakPolarHBondContact O-CB 3.44Å; S198-W201 PolarHBondContact O-N 3.22Å; S198-W201 VanDerWaalsContact O-N 3.16Å; S198-L202 WeakPolarHBondContact O-CG 3.33Å; S198-L202 PolarHBondContact O-N 2.77Å; S198-D231 WeakPolarHBondContact CB-OD1 3.49Å; S198-D231 VanDerWaalsContact OG-CG 3.23Å; S198-D231 PolarHBondContact OG-OD1 2.82Å; S198-D231 PolarHBondContact OG-OD2 2.8Å
199I95.1Very high91.8Very high64 Ų6472.7 Ų72.733%0.32840%0.399SS..Hα-helixtrans-60.6-42.7177.3-69.1172.6000110.9L195 W201 L202 I203L195-I199 HydrophobicContact CD1-CD1 4.37Å; L195-I199 HydrophobicContact CD2-CD1 3.92Å; L195-I199 HydrophobicContact CG-CD1 3.74Å; L195-I199 HydrophobicContact CG-CG1 4.4Å; L195-I199 WeakPolarHBondContact O-CB 3.49Å; L195-I199 VanDerWaalsContact O-CG1 3.27Å; L195-I199 WeakPolarHBondContact O-CG1 3.34Å; L195-I199 PolarHBondContact O-N 3.03Å; I199-W201 VanDerWaalsContact C-N 3.31Å; I199-W201 PolarHBondContact O-N 3.24Å; I199-L202 PolarHBondContact O-N 2.94Å; I199-I203 HydrophobicContact CG2-CD1 3.53Å; I199-I203 HydrophobicContact CG2-CG1 4.17Å; I199-I203 WeakPolarHBondContact O-CB 3.27Å; I199-I203 WeakPolarHBondContact O-CG1 3.34Å; I199-I203 PolarHBondContact O-N 3.25Å
200S94.6Very high90.7Very high66 Ų6674.6 Ų74.646%0.46242%0.416SS..Hα-helixtrans-62.2-41.8178.1-60.20000111.4V196 A197 S198 W204V196-S200 WeakPolarHBondContact O-CB 3.45Å; V196-S200 PolarHBondContact O-N 2.99Å; V196-S200 PolarHBondContact O-OG 3.33Å; A197-S200 PolarHBondContact O-N 2.83Å; S198-S200 VanDerWaalsContact C-N 3.32Å; S198-S200 PolarHBondContact O-N 3.05Å; S200-W204 WeakPolarHBondContact O-CB 3.19Å; S200-W204 PolarHBondContact O-N 2.87Å
201W92.5Very high89.4Confident113 Ų11370 Ų7043%0.42840%0.395SS..Hα-helixtrans-64.9-45.6174.8-174.986.5000111.7A197 S198 I199 I203 W204 S205 Y224 Y227A197-W201 WeakPolarHBondContact O-CB 3.32Å; A197-W201 PolarHBondContact O-N 3.33Å; S198-W201 WeakPolarHBondContact O-CB 3.44Å; S198-W201 PolarHBondContact O-N 3.22Å; S198-W201 VanDerWaalsContact O-N 3.16Å; I199-W201 VanDerWaalsContact C-N 3.31Å; I199-W201 PolarHBondContact O-N 3.24Å; W201-I203 PolarHBondContact O-N 3.45Å; W201-W204 PolarHBondContact O-N 3.21Å; W201-S205 WeakPolarHBondContact O-CA 3.09Å; W201-S205 WeakPolarHBondContact O-CB 3.47Å; W201-S205 PolarHBondContact O-N 3.02Å; W201-Y224 HydrophobicContact CH2-CE1 4.12Å; W201-Y224 HydrophobicContact CZ3-CD1 4.14Å; W201-Y224 AromaticContact CZ3-CE1 3.93Å; W201-Y224 HydrophobicContact CZ3-CE1 3.93Å; W201-Y227 HydrophobicContact CH2-CE2 4.4Å; W201-Y227 AromaticContact CZ3-CD2 3.98Å; W201-Y227 HydrophobicContact CZ3-CD2 3.98Å; W201-Y227 HydrophobicContact CZ3-CE2 4.13Å
202L91.9Very high88.2Confident34 Ų3475.3 Ų75.318%0.17841%0.412CS..Hα-helixtrans-61.5-40.7176.6-72.1177000112.5S198 I199 S205 S206 Y224 D231S198-L202 WeakPolarHBondContact O-CG 3.33Å; S198-L202 PolarHBondContact O-N 2.77Å; I199-L202 PolarHBondContact O-N 2.94Å; L202-S205 PolarHBondContact O-N 3.46Å; L202-S206 VanDerWaalsContact O-CB 3.25Å; L202-S206 WeakPolarHBondContact O-CB 3.32Å; L202-S206 PolarHBondContact O-N 3.03Å; L202-S206 PolarHBondContact O-OG 3.06Å; L202-Y224 HydrophobicContact CD2-CD1 3.53Å; L202-Y224 HydrophobicContact CD2-CE1 4.15Å; L202-D231 VanDerWaalsContact CD1-OD2 3.29Å; L202-D231 WeakPolarHBondContact CD1-OD2 3.33Å
203I91.2Very high87Confident89 Ų8984 Ų8446%0.45644%0.439SS..Hα-helixtrans-65.4-50.7176.7-70.2169.4000110.2I199 W201 S205 S206 L207I199-I203 HydrophobicContact CG2-CD1 3.53Å; I199-I203 HydrophobicContact CG2-CG1 4.17Å; I199-I203 WeakPolarHBondContact O-CB 3.27Å; I199-I203 WeakPolarHBondContact O-CG1 3.34Å; I199-I203 PolarHBondContact O-N 3.25Å; W201-I203 PolarHBondContact O-N 3.45Å; I203-S205 VanDerWaalsContact C-N 3.3Å; I203-S205 PolarHBondContact O-N 3.03Å; I203-S206 PolarHBondContact O-N 2.96Å; I203-S206 PolarHBondContact O-OG 3.33Å; I203-L207 HydrophobicContact CG2-CD1 3.66Å; I203-L207 HydrophobicContact CG2-CG 4.46Å; I203-L207 WeakPolarHBondContact O-CB 3.27Å; I203-L207 VanDerWaalsContact O-CG 3.26Å; I203-L207 WeakPolarHBondContact O-CG 3.37Å; I203-L207 PolarHBondContact O-N 3.32Å
204W90.6Very high85.6Confident187 Ų18783.2 Ų83.271%0.70843%0.432SS*.Hα-helixtrans-57.4-47.5175.8175.4-92.6000111.5S200 W201 S206 L207 S208S200-W204 WeakPolarHBondContact O-CB 3.19Å; S200-W204 PolarHBondContact O-N 2.87Å; W201-W204 PolarHBondContact O-N 3.21Å; W204-S206 VanDerWaalsContact C-N 3.3Å; W204-S206 PolarHBondContact O-N 3.1Å; W204-L207 PolarHBondContact O-N 2.8Å; W204-S208 WeakPolarHBondContact O-CB 3.02Å; W204-S208 PolarHBondContact O-N 3.22Å
205S88.1Confident84.5Confident18 Ų1880.9 Ų80.913%0.12642%0.421CS..Hα-helixtrans-68.2-27-177-166.60000112.4W201 L202 I203 R215 Y224W201-S205 WeakPolarHBondContact O-CA 3.09Å; W201-S205 WeakPolarHBondContact O-CB 3.47Å; W201-S205 PolarHBondContact O-N 3.02Å; L202-S205 PolarHBondContact O-N 3.46Å; I203-S205 VanDerWaalsContact C-N 3.3Å; I203-S205 PolarHBondContact O-N 3.03Å; S205-R215 PolarHBondContact O-NE 2.97Å; S205-R215 PolarHBondContact O-NH2 3.22Å; S205-Y224 PolarHBondContact O-OH 3.16Å; S205-Y224 WeakPolarHBondContact OG-CE1 3.46Å; S205-Y224 PolarHBondContact OG-OH 3.3Å
206S84.6Confident83.6Confident67 Ų6787 Ų8747%0.46945%0.449SS..Hα-helixtrans-85.3-30.8174.6560000113.5L202 I203 W204 R215L202-S206 VanDerWaalsContact O-CB 3.25Å; L202-S206 WeakPolarHBondContact O-CB 3.32Å; L202-S206 PolarHBondContact O-N 3.03Å; L202-S206 PolarHBondContact O-OG 3.06Å; I203-S206 PolarHBondContact O-N 2.96Å; I203-S206 PolarHBondContact O-OG 3.33Å; W204-S206 VanDerWaalsContact C-N 3.3Å; W204-S206 PolarHBondContact O-N 3.1Å; S206-R215 VanDerWaalsContact O-CZ 3.27Å; S206-R215 PolarHBondContact O-NE 3.05Å; S206-R215 PolarHBondContact O-NH2 3.4Å
207L84.4Confident83.2Confident128 Ų12887.6 Ų87.667%0.6745%0.449SS*.Hα-helixtrans-93.4-24.4-174-62.9177.1000114.5I203 W204 P209I203-L207 HydrophobicContact CG2-CD1 3.66Å; I203-L207 HydrophobicContact CG2-CG 4.46Å; I203-L207 WeakPolarHBondContact O-CB 3.27Å; I203-L207 VanDerWaalsContact O-CG 3.26Å; I203-L207 WeakPolarHBondContact O-CG 3.37Å; I203-L207 PolarHBondContact O-N 3.32Å; W204-L207 PolarHBondContact O-N 2.8Å; L207-P209 VanDerWaalsContact O-CD 3.26Å; L207-P209 WeakPolarHBondContact O-CD 3.29Å
208S85.9Confident82.8Confident24 Ų2490.6 Ų90.617%0.16846%0.456CS..  trans-61.6117.9-173.8-1790000113.4W204 S210 A211 R215W204-S208 WeakPolarHBondContact O-CB 3.02Å; W204-S208 PolarHBondContact O-N 3.22Å; S208-S210 PolarHBondContact O-N 3.39Å; S208-A211 PolarHBondContact O-N 2.88Å; S208-R215 VanDerWaalsContact N-NH2 3.1Å; S208-R215 VanDerWaalsContact O-CZ 3.25Å; S208-R215 PolarHBondContact O-NH1 3.45Å; S208-R215 PolarHBondContact O-NH2 3.29Å
209P77.6Confident82.4Confident93 Ų9396 Ų9660%0.60448%0.483SS*.G310 helixtrans-62.9-25.5-179.1-24.535.3000114.1L207 A211 K212L207-P209 VanDerWaalsContact O-CD 3.26Å; L207-P209 WeakPolarHBondContact O-CD 3.29Å; P209-A211 PolarHBondContact O-N 3.08Å; P209-K212 WeakPolarHBondContact O-CG 3.49Å
210S70.8Confident82Confident118 Ų11895.9 Ų95.983%0.82548%0.481SS*.G310 helixtrans-71.7-13.6-177-50.60000114.2S208S208-S210 PolarHBondContact O-N 3.39Å
211A65.6Low81.6Confident21 Ų2198.5 Ų98.517%0.17449%0.486CS..G310 helixtrans-111.715.2-174.700000113.7S208 P209 W213 Q214 R215S208-A211 PolarHBondContact O-N 2.88Å; P209-A211 PolarHBondContact O-N 3.08Å; A211-W213 VanDerWaalsContact C-N 3.33Å; A211-W213 PolarHBondContact O-N 3.16Å; A211-Q214 PolarHBondContact O-N 3.05Å; A211-R215 WeakPolarHBondContact O-CG 3.38Å; A211-R215 PolarHBondContact O-N 3.07Å
212K69.8Low81.6Confident133 Ų13398.3 Ų98.358%0.57849%0.492SS*.THydrogen-bonded Turntrans-58.4-40.6-175.2-72.7178.3-170.9-178.70113.5P209P209-K212 WeakPolarHBondContact O-CG 3.49Å
213W69.3Low81.6Confident222 Ų22298.5 Ų98.584%0.84150%0.495SS*.THydrogen-bonded Turntrans-68.9-37178.5-58.2106.9000112.5A211 R215 Q216A211-W213 VanDerWaalsContact C-N 3.33Å; A211-W213 PolarHBondContact O-N 3.16Å; W213-R215 VanDerWaalsContact C-N 3.29Å; W213-R215 PolarHBondContact O-N 2.93Å; W213-Q216 PolarHBondContact O-N 3.47Å
214Q66Low81.6Confident99 Ų9996.8 Ų96.846%0.46348%0.484SS..THydrogen-bonded Turntrans-72.5-18.1-178.9-167.6176-36.800113.5A211 F220A211-Q214 PolarHBondContact O-N 3.05Å; Q214-F220 HydrophobicContact CG-CD1 4.37Å; Q214-F220 HydrophobicContact CG-CD2 3.75Å; Q214-F220 HydrophobicContact CG-CE1 4.07Å; Q214-F220 HydrophobicContact CG-CE2 3.37Å; Q214-F220 HydrophobicContact CG-CG 4.23Å; Q214-F220 HydrophobicContact CG-CZ 3.56Å; Q214-F220 WeakPolarHBondContact O-CB 3.47Å; Q214-F220 WeakPolarHBondContact O-CD2 3.43Å; Q214-F220 WeakPolarHBondContact O-CG 3.37Å
215R71.8Confident81.6Confident52 Ų5290.2 Ų90.220%0.19647%0.474CS..THydrogen-bonded Turntrans-80.6-18.7178.3-71.8179.8-167109.85.8114.3S205 S206 S208 A211 W213 D217 Y224S205-R215 PolarHBondContact O-NE 2.97Å; S205-R215 PolarHBondContact O-NH2 3.22Å; S206-R215 VanDerWaalsContact O-CZ 3.27Å; S206-R215 PolarHBondContact O-NE 3.05Å; S206-R215 PolarHBondContact O-NH2 3.4Å; S208-R215 VanDerWaalsContact N-NH2 3.1Å; S208-R215 VanDerWaalsContact O-CZ 3.25Å; S208-R215 PolarHBondContact O-NH1 3.45Å; S208-R215 PolarHBondContact O-NH2 3.29Å; A211-R215 WeakPolarHBondContact O-CG 3.38Å; A211-R215 PolarHBondContact O-N 3.07Å; W213-R215 VanDerWaalsContact C-N 3.29Å; W213-R215 PolarHBondContact O-N 2.93Å; R215-D217 VanDerWaalsContact C-N 3.31Å; R215-Y224 HydrophobicContact CG-CE2 4.35Å
216Q78.5Confident82Confident153 Ų15394.1 Ų94.172%0.71549%0.492SS*.SBendtrans-83.8-12.6179.6-76.2176.2-28.700112.4W213W213-Q216 PolarHBondContact O-N 3.47Å
217D87.3Confident82.4Confident89 Ų8995 Ų9548%0.47649%0.485SS..SBendtrans-68.3129.4173.3-79.3-38.5000111R215 L219 F220 Q221R215-D217 VanDerWaalsContact C-N 3.31Å; D217-L219 PolarHBondContact O-N 2.93Å; D217-L219 VanDerWaalsContact O-N 3.13Å; D217-F220 HydrophobicContact CB-CD2 3.78Å; D217-F220 PolarHBondContact O-N 3.44Å; D217-F220 VanDerWaalsContact O-N 3.09Å; D217-Q221 PolarHBondContact O-N 3.23Å
218L86.9Confident82.9Confident125 Ų12590.3 Ų90.365%0.65447%0.468SS*.Hα-helixtrans-54.9-35.3-178.7-176.266000112.4Q221 I222L218-Q221 PolarHBondContact O-N 3.1Å; L218-I222 HydrophobicContact CD1-CD1 4.49Å; L218-I222 HydrophobicContact CG-CD1 3.99Å; L218-I222 VanDerWaalsContact O-CG1 3.27Å; L218-I222 WeakPolarHBondContact O-CG1 3.04Å; L218-I222 PolarHBondContact O-N 3.43Å
219L87.6Confident83.3Confident121 Ų12195.1 Ų95.163%0.63449%0.486SS*.Hα-helixtrans-63.2-45.3179.8-164.3155.8000111.4D217 Q221 I222 C223D217-L219 PolarHBondContact O-N 2.93Å; D217-L219 VanDerWaalsContact O-N 3.13Å; L219-Q221 VanDerWaalsContact C-N 3.34Å; L219-Q221 PolarHBondContact O-N 2.84Å; L219-I222 PolarHBondContact O-N 3.25Å; L219-C223 PolarHBondContact O-N 3.48Å; L219-C223 PolarHBondContact O-SG 2.95Å
220F86.5Confident84.1Confident61 Ų6194.7 Ų94.727%0.26848%0.477SS..Hα-helixtrans-69.1-34.6178.5-74-79.6000112Q214 D217 C223 Y224Q214-F220 HydrophobicContact CG-CD1 4.37Å; Q214-F220 HydrophobicContact CG-CD2 3.75Å; Q214-F220 HydrophobicContact CG-CE1 4.07Å; Q214-F220 HydrophobicContact CG-CE2 3.37Å; Q214-F220 HydrophobicContact CG-CG 4.23Å; Q214-F220 HydrophobicContact CG-CZ 3.56Å; Q214-F220 WeakPolarHBondContact O-CB 3.47Å; Q214-F220 WeakPolarHBondContact O-CD2 3.43Å; Q214-F220 WeakPolarHBondContact O-CG 3.37Å; D217-F220 HydrophobicContact CB-CD2 3.78Å; D217-F220 PolarHBondContact O-N 3.44Å; D217-F220 VanDerWaalsContact O-N 3.09Å; F220-C223 WeakPolarHBondContact O-CB 3.04Å; F220-C223 PolarHBondContact O-N 3.04Å; F220-Y224 HydrophobicContact CB-CE2 4.42Å; F220-Y224 WeakPolarHBondContact O-CD2 3.39Å; F220-Y224 PolarHBondContact O-N 3.46Å
221Q87.5Confident85.3Confident121 Ų12189.6 Ų89.657%0.56544%0.44SS*.Hα-helixtrans-65.3-41.2174.6-165.6173.8-15.700112.2D217 L218 L219 Y224 G225D217-Q221 PolarHBondContact O-N 3.23Å; L218-Q221 PolarHBondContact O-N 3.1Å; L219-Q221 VanDerWaalsContact C-N 3.34Å; L219-Q221 PolarHBondContact O-N 2.84Å; Q221-Y224 PolarHBondContact O-N 2.88Å; Q221-G225 PolarHBondContact O-N 3.37Å
222I92.1Very high86.8Confident109 Ų10993.2 Ų93.256%0.55946%0.46SS*.Hα-helixtrans-62.6-43.9172.9-67.7164.6000110.4L218 L219 Y224 G225 M226L218-I222 HydrophobicContact CD1-CD1 4.49Å; L218-I222 HydrophobicContact CG-CD1 3.99Å; L218-I222 VanDerWaalsContact O-CG1 3.27Å; L218-I222 WeakPolarHBondContact O-CG1 3.04Å; L218-I222 PolarHBondContact O-N 3.43Å; L219-I222 PolarHBondContact O-N 3.25Å; I222-Y224 PolarHBondContact O-N 3.07Å; I222-G225 PolarHBondContact O-N 2.94Å; I222-M226 PolarHBondContact O-N 3Å
223C90.7Very high88Confident38 Ų3889.9 Ų89.926%0.25745%0.451SS..Hα-helixtrans-58.3-47.1176.1-70.30000111.9L219 F220 G225 M226 Y227L219-C223 PolarHBondContact O-N 3.48Å; L219-C223 PolarHBondContact O-SG 2.95Å; F220-C223 WeakPolarHBondContact O-CB 3.04Å; F220-C223 PolarHBondContact O-N 3.04Å; C223-G225 VanDerWaalsContact C-N 3.33Å; C223-G225 PolarHBondContact O-N 3.35Å; C223-M226 PolarHBondContact O-N 3.33Å; C223-Y227 WeakPolarHBondContact O-CD2 3.3Å; C223-Y227 PolarHBondContact O-N 3.41Å
224Y91.4Very high89.2Confident53 Ų5380.5 Ų80.521%0.20842%0.419CS..Hα-helixtrans-60.9-40.8177.2-66.7-46.5000112.8W201 L202 S205 R215 F220 Q221 I222 M226 Y227 G228W201-Y224 HydrophobicContact CH2-CE1 4.12Å; W201-Y224 HydrophobicContact CZ3-CD1 4.14Å; W201-Y224 AromaticContact CZ3-CE1 3.93Å; W201-Y224 HydrophobicContact CZ3-CE1 3.93Å; L202-Y224 HydrophobicContact CD2-CD1 3.53Å; L202-Y224 HydrophobicContact CD2-CE1 4.15Å; S205-Y224 PolarHBondContact O-OH 3.16Å; S205-Y224 WeakPolarHBondContact OG-CE1 3.46Å; S205-Y224 PolarHBondContact OG-OH 3.3Å; R215-Y224 HydrophobicContact CG-CE2 4.35Å; F220-Y224 HydrophobicContact CB-CE2 4.42Å; F220-Y224 WeakPolarHBondContact O-CD2 3.39Å; F220-Y224 PolarHBondContact O-N 3.46Å; Q221-Y224 PolarHBondContact O-N 2.88Å; I222-Y224 PolarHBondContact O-N 3.07Å; Y224-M226 VanDerWaalsContact C-N 3.33Å; Y224-M226 PolarHBondContact O-N 3.4Å; Y224-Y227 PolarHBondContact O-N 3.03Å; Y224-G228 PolarHBondContact O-N 3.24Å
225G92.3Very high90.6Very high50 Ų5079.1 Ų79.152%0.51541%0.414SS..Hα-helixtrans-59.9-43.6174.900000112.2Q221 I222 C223 F229Q221-G225 PolarHBondContact O-N 3.37Å; I222-G225 PolarHBondContact O-N 2.94Å; C223-G225 VanDerWaalsContact C-N 3.33Å; C223-G225 PolarHBondContact O-N 3.35Å; G225-F229 WeakPolarHBondContact O-CB 3.49Å; G225-F229 PolarHBondContact O-N 2.87Å
226M94.8Very high91.7Very high99 Ų9978.4 Ų78.449%0.48842%0.423SS..Hα-helixtrans-66.1-47.2178-173.2-173.568.400112.2I222 C223 Y224 G228 F229 M230I222-M226 PolarHBondContact O-N 3Å; C223-M226 PolarHBondContact O-N 3.33Å; Y224-M226 VanDerWaalsContact C-N 3.33Å; Y224-M226 PolarHBondContact O-N 3.4Å; M226-G228 VanDerWaalsContact C-N 3.34Å; M226-G228 PolarHBondContact O-N 2.92Å; M226-F229 PolarHBondContact O-N 3.48Å; M226-M230 WeakPolarHBondContact O-CG 3.4Å; M226-M230 PolarHBondContact O-N 3.47Å
227Y93.6Very high92.3Very high86 Ų8676 Ų7634%0.33741%0.414SS..Hα-helixtrans-61.4-43.1176.3-81.9-73.5000111.7W201 C223 Y224 F229 M230 D231W201-Y227 HydrophobicContact CH2-CE2 4.4Å; W201-Y227 AromaticContact CZ3-CD2 3.98Å; W201-Y227 HydrophobicContact CZ3-CD2 3.98Å; W201-Y227 HydrophobicContact CZ3-CE2 4.13Å; C223-Y227 WeakPolarHBondContact O-CD2 3.3Å; C223-Y227 PolarHBondContact O-N 3.41Å; Y224-Y227 PolarHBondContact O-N 3.03Å; Y227-F229 VanDerWaalsContact C-N 3.34Å; Y227-F229 PolarHBondContact O-N 3.39Å; Y227-M230 PolarHBondContact O-N 3.46Å; Y227-D231 VanDerWaalsContact O-CG 3.26Å; Y227-D231 PolarHBondContact O-N 3.34Å
228G94.1Very high92.7Very high29 Ų2973.6 Ų73.630%0.29940%0.401SS..Hα-helixtrans-60.9-40.9175.600000112.7Y224 M226 D231 V232Y224-G228 PolarHBondContact O-N 3.24Å; M226-G228 VanDerWaalsContact C-N 3.34Å; M226-G228 PolarHBondContact O-N 2.92Å; G228-D231 PolarHBondContact O-N 2.99Å; G228-V232 WeakPolarHBondContact O-CG2 3.44Å; G228-V232 PolarHBondContact O-N 3.3Å
229F95.6Very high93Very high126 Ų12672.8 Ų72.855%0.55340%0.396SS*.Hα-helixtrans-63.8-44.9173.9174.7-98.7000112G225 M226 Y227 D231 V232 V233G225-F229 WeakPolarHBondContact O-CB 3.49Å; G225-F229 PolarHBondContact O-N 2.87Å; M226-F229 PolarHBondContact O-N 3.48Å; Y227-F229 VanDerWaalsContact C-N 3.34Å; Y227-F229 PolarHBondContact O-N 3.39Å; F229-D231 VanDerWaalsContact C-N 3.31Å; F229-D231 PolarHBondContact O-N 2.86Å; F229-V232 PolarHBondContact O-N 2.89Å; F229-V233 HydrophobicContact CD1-CG2 4.39Å; F229-V233 HydrophobicContact CE1-CG2 3.91Å; F229-V233 HydrophobicContact CE2-CG2 4.26Å; F229-V233 HydrophobicContact CZ-CG2 3.84Å; F229-V233 WeakPolarHBondContact O-CG2 3.45Å; F229-V233 PolarHBondContact O-N 3.44Å
230M94.3Very high93.2Very high84 Ų8473.2 Ų73.241%0.41440%0.395SS..Hα-helixtrans-61.2-40.4176.5-67-58.6156.200111.7M226 Y227 V232 V233 C234M226-M230 WeakPolarHBondContact O-CG 3.4Å; M226-M230 PolarHBondContact O-N 3.47Å; Y227-M230 PolarHBondContact O-N 3.46Å; M230-V232 VanDerWaalsContact C-N 3.35Å; M230-V232 PolarHBondContact O-N 3.46Å; M230-V233 PolarHBondContact O-N 3.41Å; M230-C234 WeakPolarHBondContact O-CB 3.32Å; M230-C234 PolarHBondContact O-N 2.92Å; M230-C234 PolarHBondContact O-SG 3.28Å; M230-C234 VanDerWaalsContact O-SG 3.33Å
231D95.9Very high93.4Very high10 Ų1073 Ų735%0.05340%0.395CS..Hα-helixtrans-62.7-40.4175.5-70.9-18.2000111.9L195 S198 L202 Y227 G228 F229 C234 I235L195-D231 HydrophobicContact CD1-CB 4.01Å; L195-D231 WeakPolarHBondContact CD1-O 3.45Å; S198-D231 WeakPolarHBondContact CB-OD1 3.49Å; S198-D231 VanDerWaalsContact OG-CG 3.23Å; S198-D231 PolarHBondContact OG-OD1 2.82Å; S198-D231 PolarHBondContact OG-OD2 2.8Å; L202-D231 VanDerWaalsContact CD1-OD2 3.29Å; L202-D231 WeakPolarHBondContact CD1-OD2 3.33Å; Y227-D231 VanDerWaalsContact O-CG 3.26Å; Y227-D231 PolarHBondContact O-N 3.34Å; G228-D231 PolarHBondContact O-N 2.99Å; F229-D231 VanDerWaalsContact C-N 3.31Å; F229-D231 PolarHBondContact O-N 2.86Å; D231-C234 PolarHBondContact O-N 3.26Å; D231-I235 VanDerWaalsContact O-CG1 3.23Å; D231-I235 WeakPolarHBondContact O-CG1 3.34Å; D231-I235 PolarHBondContact O-N 3.03Å
232V96.2Very high93.5Very high97 Ų9768.5 Ų68.559%0.58838%0.38SS*.Hα-helixtrans-63.3-42.7175.5171.20000111.2G228 F229 M230 I235 G236G228-V232 WeakPolarHBondContact O-CG2 3.44Å; G228-V232 PolarHBondContact O-N 3.3Å; F229-V232 PolarHBondContact O-N 2.89Å; M230-V232 VanDerWaalsContact C-N 3.35Å; M230-V232 PolarHBondContact O-N 3.46Å; V232-I235 PolarHBondContact O-N 2.89Å; V232-G236 PolarHBondContact O-N 3.46Å
233V95.4Very high93.4Very high64 Ų6467.4 Ų67.439%0.38838%0.382SS..Hα-helixtrans-62.4-45.5174.9174.80000110.5F229 M230 I235 G236 L237F229-V233 HydrophobicContact CD1-CG2 4.39Å; F229-V233 HydrophobicContact CE1-CG2 3.91Å; F229-V233 HydrophobicContact CE2-CG2 4.26Å; F229-V233 HydrophobicContact CZ-CG2 3.84Å; F229-V233 WeakPolarHBondContact O-CG2 3.45Å; F229-V233 PolarHBondContact O-N 3.44Å; M230-V233 PolarHBondContact O-N 3.41Å; V233-I235 PolarHBondContact O-N 3.15Å; V233-G236 PolarHBondContact O-N 3.39Å; V233-G236 VanDerWaalsContact O-N 3.13Å; V233-L237 HydrophobicContact CG1-CD1 4.34Å; V233-L237 WeakPolarHBondContact O-CG 3.44Å; V233-L237 PolarHBondContact O-N 2.94Å
234C95.4Very high93.3Very high24 Ų2466.2 Ų66.216%0.16237%0.374CS..Hα-helixtrans-59-43.8175.6-72.90000112.2L195 M230 D231 G236 L237 I238L195-C234 HydrophobicContact CD1-CB 3.79Å; M230-C234 WeakPolarHBondContact O-CB 3.32Å; M230-C234 PolarHBondContact O-N 2.92Å; M230-C234 PolarHBondContact O-SG 3.28Å; M230-C234 VanDerWaalsContact O-SG 3.33Å; D231-C234 PolarHBondContact O-N 3.26Å; C234-G236 VanDerWaalsContact C-N 3.33Å; C234-G236 PolarHBondContact O-N 3.24Å; C234-L237 PolarHBondContact O-N 2.75Å; C234-I238 VanDerWaalsContact O-CG1 3.24Å; C234-I238 WeakPolarHBondContact O-CG1 3.42Å; C234-I238 PolarHBondContact O-N 2.79Å
235I95.4Very high93.2Very high71 Ų7165.5 Ų65.536%0.36438%0.375SS..Hα-helixtrans-61.2-43.3174.6-69.2162.7000110.6L195 D231 V232 V233 L237 I238 I239L195-I235 HydrophobicContact CD1-CD1 4.15Å; L195-I235 HydrophobicContact CD1-CG1 3.62Å; L195-I235 HydrophobicContact CD2-CG1 4Å; L195-I235 HydrophobicContact CG-CG1 4.46Å; D231-I235 VanDerWaalsContact O-CG1 3.23Å; D231-I235 WeakPolarHBondContact O-CG1 3.34Å; D231-I235 PolarHBondContact O-N 3.03Å; V232-I235 PolarHBondContact O-N 2.89Å; V233-I235 PolarHBondContact O-N 3.15Å; I235-L237 PolarHBondContact O-N 3.39Å; I235-I238 PolarHBondContact O-N 2.85Å; I235-I239 HydrophobicContact CG2-CD1 3.71Å; I235-I239 HydrophobicContact CG2-CG1 4.37Å; I235-I239 VanDerWaalsContact O-CG1 3.3Å; I235-I239 WeakPolarHBondContact O-CG1 3.47Å; I235-I239 PolarHBondContact O-N 2.97Å
236G93.9Very high93Very high37 Ų3767.8 Ų67.838%0.38137%0.369SS..Hα-helixtrans-57.3-47.5176.300000112.4V232 V233 C234 I239 H240V232-G236 PolarHBondContact O-N 3.46Å; V233-G236 PolarHBondContact O-N 3.39Å; V233-G236 VanDerWaalsContact O-N 3.13Å; C234-G236 VanDerWaalsContact C-N 3.33Å; C234-G236 PolarHBondContact O-N 3.24Å; G236-I239 PolarHBondContact O-N 3.1Å; G236-H240 WeakPolarHBondContact O-CB 3.48Å; G236-H240 PolarHBondContact O-N 3.39Å
237L92.3Very high92.7Very high101 Ų10171.1 Ų71.153%0.52938%0.376SS..Hα-helixtrans-64.2-42.4176.4-66.6175.5000112.1V233 C234 I235 I239 H240 E241V233-L237 HydrophobicContact CG1-CD1 4.34Å; V233-L237 WeakPolarHBondContact O-CG 3.44Å; V233-L237 PolarHBondContact O-N 2.94Å; C234-L237 PolarHBondContact O-N 2.75Å; I235-L237 PolarHBondContact O-N 3.39Å; L237-I239 VanDerWaalsContact C-N 3.3Å; L237-I239 PolarHBondContact O-N 2.95Å; L237-H240 PolarHBondContact O-N 3.36Å; L237-E241 WeakPolarHBondContact O-CG 3.47Å; L237-E241 PolarHBondContact O-N 3.47Å
238I94.1Very high92.4Very high40 Ų4067.7 Ų67.721%0.20536%0.364CS..Hα-helixtrans-61.7-39.5176.4-69.3164.2000111L195 C234 I235 G242L195-I238 HydrophobicContact CD2-CD1 4.3Å; C234-I238 VanDerWaalsContact O-CG1 3.24Å; C234-I238 WeakPolarHBondContact O-CG1 3.42Å; C234-I238 PolarHBondContact O-N 2.79Å; I235-I238 PolarHBondContact O-N 2.85Å; I238-G242 WeakPolarHBondContact O-CA 3.21Å; I238-G242 PolarHBondContact O-N 3.41Å
239I93.9Very high92.1Very high108 Ų10871.2 Ų71.255%0.55437%0.371SS*.Hα-helixtrans-70.7-43.9178.1-68.7169.1000110.8I235 G236 L237I235-I239 HydrophobicContact CG2-CD1 3.71Å; I235-I239 HydrophobicContact CG2-CG1 4.37Å; I235-I239 VanDerWaalsContact O-CG1 3.3Å; I235-I239 WeakPolarHBondContact O-CG1 3.47Å; I235-I239 PolarHBondContact O-N 2.97Å; G236-I239 PolarHBondContact O-N 3.1Å; L237-I239 VanDerWaalsContact C-N 3.3Å; L237-I239 PolarHBondContact O-N 2.95Å
240H91.9Very high91.6Very high130 Ų13069 Ų6960%0.60236%0.361SS*.Hα-helixtrans-59.3-53.3178.9-175.3-101.6000110.7G236 L237G236-H240 WeakPolarHBondContact O-CB 3.48Å; G236-H240 PolarHBondContact O-N 3.39Å; L237-H240 PolarHBondContact O-N 3.36Å
241E90.5Very high91.3Very high57 Ų5770.7 Ų70.727%0.26636%0.363SS..Hα-helixtrans-81.5-19.9-177.9-49.1-42.9168.900114.2I188 L237 S243 S244 V245I188-E241 HydrophobicContact CD1-CB 3.96Å; I188-E241 HydrophobicContact CG1-CB 4.07Å; L237-E241 WeakPolarHBondContact O-CG 3.47Å; L237-E241 PolarHBondContact O-N 3.47Å; E241-S243 PolarHBondContact O-N 3.25Å; E241-S243 VanDerWaalsContact O-N 3.14Å; E241-S244 WeakPolarHBondContact O-CB 3.25Å; E241-S244 PolarHBondContact O-N 2.9Å; E241-V245 PolarHBondContact O-N 3.48Å
242G90.4Very high90.8Very high25 Ų2572.6 Ų72.626%0.25837%0.369SS..Hα-helixtrans-58.4-27.5175.800000112.9I238 Y246I238-G242 WeakPolarHBondContact O-CA 3.21Å; I238-G242 PolarHBondContact O-N 3.41Å; G242-Y246 WeakPolarHBondContact O-CB 3.28Å; G242-Y246 PolarHBondContact O-N 3.48Å
243S89.6Confident90.2Very high86 Ų8670.4 Ų70.460%0.60135%0.353SS*.Hα-helixtrans-61.9-42.3173.9-172.80000112.4E241 Y246 R247E241-S243 PolarHBondContact O-N 3.25Å; E241-S243 VanDerWaalsContact O-N 3.14Å; S243-Y246 PolarHBondContact O-N 3.4Å; S243-R247 PolarHBondContact O-N 3.12Å
244S89.1Confident89.7Confident13 Ų1369.4 Ų69.49%0.09135%0.351CS..Hα-helixtrans-66.1-48.8178.1-167.40000111Q184 E241 Y246 R247 I248Q184-S244 PolarHBondContact OE1-OG 2.46Å; E241-S244 WeakPolarHBondContact O-CB 3.25Å; E241-S244 PolarHBondContact O-N 2.9Å; S244-Y246 VanDerWaalsContact C-N 3.29Å; S244-Y246 PolarHBondContact O-N 3.15Å; S244-R247 WeakPolarHBondContact O-CB 3.21Å; S244-R247 PolarHBondContact O-N 3.07Å; S244-R247 VanDerWaalsContact O-N 3.08Å; S244-I248 WeakPolarHBondContact O-CG1 3.05Å; S244-I248 PolarHBondContact O-N 3.28Å; S244-I248 VanDerWaalsContact O-N 3.14Å
245V88.3Confident89Confident38 Ų3871.3 Ų71.323%0.2336%0.362CS..Hα-helixtrans-65.9-33.1179.5177.90000112.3I185 I188 E241 R247 I248 F249I185-V245 HydrophobicContact CG1-CG1 4.27Å; I185-V245 HydrophobicContact CG1-CG2 3.8Å; I188-V245 HydrophobicContact CD1-CB 3.93Å; I188-V245 HydrophobicContact CD1-CG2 3.43Å; I188-V245 VanDerWaalsContact CD1-CG2 3.43Å; E241-V245 PolarHBondContact O-N 3.48Å; V245-R247 VanDerWaalsContact C-N 3.32Å; V245-R247 PolarHBondContact O-N 2.85Å; V245-I248 HydrophobicContact CG2-CD1 4.45Å; V245-I248 WeakPolarHBondContact O-CB 3.39Å; V245-I248 PolarHBondContact O-N 2.88Å; V245-F249 WeakPolarHBondContact O-CB 3.3Å; V245-F249 PolarHBondContact O-N 3.05Å
246Y88.1Confident88.5Confident98 Ų9867.9 Ų67.938%0.38434%0.344SS..Hα-helixtrans-61.2-40.6172.6-178-104.3000112.3R5 G242 S243 S244 F249 K250R5-Y246 PolarHBondContact NH1-OH 3.1Å; G242-Y246 WeakPolarHBondContact O-CB 3.28Å; G242-Y246 PolarHBondContact O-N 3.48Å; S243-Y246 PolarHBondContact O-N 3.4Å; S244-Y246 VanDerWaalsContact C-N 3.29Å; S244-Y246 PolarHBondContact O-N 3.15Å; Y246-F249 PolarHBondContact O-N 2.67Å; Y246-K250 HydrophobicContact CD1-CG 4.33Å; Y246-K250 HydrophobicContact CE1-CG 3.86Å; Y246-K250 WeakPolarHBondContact O-CG 3.4Å; Y246-K250 PolarHBondContact O-N 2.84Å; Y246-K250 WeakPolarHBondContact OH-CE 3.11Å
247R88.6Confident88Confident169 Ų16968.3 Ų68.364%0.63834%0.337SS*.Hα-helixtrans-65.8-39.7177-172172.459.6-152.1-4.2111.6S243 S244 V245 K250 R251S243-R247 PolarHBondContact O-N 3.12Å; S244-R247 WeakPolarHBondContact O-CB 3.21Å; S244-R247 PolarHBondContact O-N 3.07Å; S244-R247 VanDerWaalsContact O-N 3.08Å; V245-R247 VanDerWaalsContact C-N 3.32Å; V245-R247 PolarHBondContact O-N 2.85Å; R247-K250 WeakPolarHBondContact O-CB 3.3Å; R247-K250 PolarHBondContact O-N 3.5Å; R247-R251 PolarHBondContact O-N 3.37Å
248I88.5Confident87.4Confident15 Ų1567.8 Ų67.88%0.07733%0.331CS..Hα-helixtrans-61.3-48.2173.5-60.7166.3000110.3L177 E181 I185 S244 V245 K250 R251 W252L177-I248 HydrophobicContact CD2-CG2 3.41Å; L177-I248 VanDerWaalsContact CD2-CG2 3.41Å; E181-I248 HydrophobicContact CB-CD1 3.64Å; E181-I248 HydrophobicContact CG-CD1 3.59Å; E181-I248 HydrophobicContact CG-CG1 4.06Å; I185-I248 HydrophobicContact CD1-CD1 4.21Å; I185-I248 HydrophobicContact CG1-CD1 4.43Å; S244-I248 WeakPolarHBondContact O-CG1 3.05Å; S244-I248 PolarHBondContact O-N 3.28Å; S244-I248 VanDerWaalsContact O-N 3.14Å; V245-I248 HydrophobicContact CG2-CD1 4.45Å; V245-I248 WeakPolarHBondContact O-CB 3.39Å; V245-I248 PolarHBondContact O-N 2.88Å; I248-K250 VanDerWaalsContact C-N 3.26Å; I248-K250 PolarHBondContact O-N 3.01Å; I248-R251 WeakPolarHBondContact O-CB 2.89Å; I248-R251 PolarHBondContact O-N 2.98Å; I248-R251 VanDerWaalsContact O-N 3.1Å; I248-W252 PolarHBondContact O-N 2.83Å
249F86.1Confident86.8Confident103 Ų10368.4 Ų68.445%0.45233%0.331SS..Hα-helixtrans-59.9-38.8178.1-178.5-99.7000111.8V245 Y246 W252 Q253V245-F249 WeakPolarHBondContact O-CB 3.3Å; V245-F249 PolarHBondContact O-N 3.05Å; Y246-F249 PolarHBondContact O-N 2.67Å; F249-W252 HydrophobicContact CD2-CE3 4.12Å; F249-W252 AromaticContact CE2-CE3 3.84Å; F249-W252 HydrophobicContact CE2-CE3 3.84Å; F249-W252 AromaticContact CE2-CZ3 3.84Å; F249-W252 HydrophobicContact CE2-CZ3 3.84Å; F249-W252 HydrophobicContact CZ-CE3 4.43Å; F249-W252 HydrophobicContact CZ-CZ3 4.25Å; F249-W252 PolarHBondContact O-N 3.09Å; F249-Q253 VanDerWaalsContact O-CB 3.27Å; F249-Q253 WeakPolarHBondContact O-CB 3.45Å; F249-Q253 PolarHBondContact O-N 3.49Å
250K85.7Confident86.4Confident79 Ų7968.2 Ų68.234%0.34333%0.326SS..Hα-helixtrans-62.4-42.4174.2-81.9-60.7-132.2166.30112.8Y246 R247 I248 Q253 A254Y246-K250 HydrophobicContact CD1-CG 4.33Å; Y246-K250 HydrophobicContact CE1-CG 3.86Å; Y246-K250 WeakPolarHBondContact O-CG 3.4Å; Y246-K250 PolarHBondContact O-N 2.84Å; Y246-K250 WeakPolarHBondContact OH-CE 3.11Å; R247-K250 WeakPolarHBondContact O-CB 3.3Å; R247-K250 PolarHBondContact O-N 3.5Å; I248-K250 VanDerWaalsContact C-N 3.26Å; I248-K250 PolarHBondContact O-N 3.01Å; K250-Q253 PolarHBondContact O-N 3.1Å; K250-A254 PolarHBondContact O-N 3.46Å
251R87.9Confident86.2Confident119 Ų11962 Ų6245%0.44930%0.298SS..Hα-helixtrans-64.1-45176.1-164.6-167.5173.6-172.6-3.6111I175 R247 I248 A254I175-R251 HydrophobicContact CD1-CB 4.24Å; I175-R251 HydrophobicContact CD1-CG 3.52Å; R247-R251 PolarHBondContact O-N 3.37Å; I248-R251 WeakPolarHBondContact O-CB 2.89Å; I248-R251 PolarHBondContact O-N 2.98Å; I248-R251 VanDerWaalsContact O-N 3.1Å; R251-A254 PolarHBondContact O-N 3.44Å
252W86.5Confident86Confident50 Ų5062.1 Ų62.119%0.18930%0.3CS..Hα-helixtrans-61-43.9174.6175.189.5000112T166 W172 I248 F249 A254 V255 N256T166-W252 HydrophobicContact CG2-CH2 4.44Å; W172-W252 HydrophobicContact CD2-CH2 4.34Å; W172-W252 AromaticContact CD2-CZ2 3.59Å; W172-W252 HydrophobicContact CD2-CZ2 3.59Å; W172-W252 AromaticContact CE2-CZ2 3.73Å; W172-W252 AromaticContact CE3-CZ2 3.72Å; W172-W252 HydrophobicContact CE3-CZ2 3.72Å; W172-W252 HydrophobicContact CG-CZ2 4.13Å; W172-W252 HydrophobicContact CH2-CH2 4.18Å; W172-W252 HydrophobicContact CH2-CZ2 4.12Å; W172-W252 AromaticContact CZ2-CH2 3.95Å; W172-W252 HydrophobicContact CZ2-CH2 3.95Å; W172-W252 HydrophobicContact CZ2-CZ2 4.02Å; W172-W252 HydrophobicContact CZ3-CH2 4.47Å; W172-W252 AromaticContact CZ3-CZ2 3.98Å; W172-W252 HydrophobicContact CZ3-CZ2 3.98Å; I248-W252 PolarHBondContact O-N 2.83Å; F249-W252 HydrophobicContact CD2-CE3 4.12Å; F249-W252 AromaticContact CE2-CE3 3.84Å; F249-W252 HydrophobicContact CE2-CE3 3.84Å; F249-W252 AromaticContact CE2-CZ3 3.84Å; F249-W252 HydrophobicContact CE2-CZ3 3.84Å; F249-W252 HydrophobicContact CZ-CE3 4.43Å; F249-W252 HydrophobicContact CZ-CZ3 4.25Å; F249-W252 PolarHBondContact O-N 3.09Å; W252-A254 VanDerWaalsContact C-N 3.29Å; W252-A254 PolarHBondContact O-N 3.37Å; W252-V255 PolarHBondContact O-N 3.33Å; W252-V255 VanDerWaalsContact O-N 3.16Å; W252-N256 HydrophobicContact CD2-CB 4.37Å; W252-N256 VanDerWaalsContact CE2-ND2 3.3Å; W252-N256 HydrophobicContact CH2-CB 4.28Å; W252-N256 HydrophobicContact CZ2-CB 3.94Å; W252-N256 PolarHBondContact NE1-ND2 2.93Å; W252-N256 PolarHBondContact O-N 3.43Å; W252-N256 PolarHBondContact O-ND2 2.69Å
253Q83.6Confident85.9Confident51 Ų5164.5 Ų64.524%0.23831%0.306CS..Hα-helixtrans-58.8-42.5177.6-178.5175.445.600110.7F249 K250 V255 N256 Q257F249-Q253 VanDerWaalsContact O-CB 3.27Å; F249-Q253 WeakPolarHBondContact O-CB 3.45Å; F249-Q253 PolarHBondContact O-N 3.49Å; K250-Q253 PolarHBondContact O-N 3.1Å; Q253-V255 PolarHBondContact O-N 3.27Å; Q253-N256 PolarHBondContact O-N 2.84Å; Q253-Q257 WeakPolarHBondContact O-CB 3.43Å; Q253-Q257 PolarHBondContact O-N 3.09Å
254A83.5Confident85.8Confident44 Ų4461.3 Ų61.336%0.36428%0.281SS..Hα-helixtrans-59.2-34179.200000113.3K250 R251 W252K250-A254 PolarHBondContact O-N 3.46Å; R251-A254 PolarHBondContact O-N 3.44Å; W252-A254 VanDerWaalsContact C-N 3.29Å; W252-A254 PolarHBondContact O-N 3.37Å
255V81.6Confident85.5Confident63 Ų6363.9 Ų63.938%0.38229%0.294SS..Hα-helixtrans-85.6-33.3-178.3-177.90000112.5K167 Q173 I175 W252 Q253K167-V255 PolarHBondContact NZ-O 3.38Å; K167-V255 VanDerWaalsContact NZ-O 3.1Å; Q173-V255 HydrophobicContact CB-CG1 3.82Å; Q173-V255 HydrophobicContact CG-CG1 4.43Å; I175-V255 HydrophobicContact CD1-CG2 3.91Å; W252-V255 PolarHBondContact O-N 3.33Å; W252-V255 VanDerWaalsContact O-N 3.16Å; Q253-V255 PolarHBondContact O-N 3.27Å
256N84.9Confident85.1Confident0 Ų065.6 Ų65.60%030%0.298CS..Hα-helixtrans-98.5-0.9-174.6-71.3-56.6000114.3K167 W172 Q173 W252 Q253K167-N256 WeakPolarHBondContact CG-O 3.43Å; K167-N256 PolarHBondContact N-O 3.09Å; W172-N256 WeakPolarHBondContact CA-OD1 3.5Å; Q173-N256 PolarHBondContact N-OD1 3.37Å; Q173-N256 PolarHBondContact O-ND2 3.31Å; W252-N256 HydrophobicContact CD2-CB 4.37Å; W252-N256 VanDerWaalsContact CE2-ND2 3.3Å; W252-N256 HydrophobicContact CH2-CB 4.28Å; W252-N256 HydrophobicContact CZ2-CB 3.94Å; W252-N256 PolarHBondContact NE1-ND2 2.93Å; W252-N256 PolarHBondContact O-N 3.43Å; W252-N256 PolarHBondContact O-ND2 2.69Å; Q253-N256 PolarHBondContact O-N 2.84Å
257Q83Confident84.4Confident46 Ų4665.3 Ų65.322%0.21531%0.307CS..EExtended strand (participates in β ladder)trans-81.5132.3173.8-170.6155.534.400110.9A163 Q253 W259A163-Q257 HydrophobicContact CB-CG 3.76Å; Q253-Q257 WeakPolarHBondContact O-CB 3.43Å; Q253-Q257 PolarHBondContact O-N 3.09Å; Q257-W259 HydrophobicContact CG-CZ2 4.28Å
258Q79.4Confident83.6Confident89 Ų8964.4 Ų64.442%0.41631%0.308SS..EExtended strand (participates in β ladder)trans-90.4131171.6-62.4-173.7-62.200110A163 I164 S165 K167A163-Q258 WeakPolarHBondContact CA-O 3.47Å; I164-Q258 PolarHBondContact N-O 3.1Å; I164-Q258 VanDerWaalsContact N-O 3.09Å; S165-Q258 WeakPolarHBondContact O-CB 3.44Å; S165-Q258 PolarHBondContact O-N 3.37Å; K167-Q258 HydrophobicContact CB-CG 4.32Å; K167-Q258 HydrophobicContact CD-CG 4.45Å; K167-Q258 HydrophobicContact CG-CG 3.35Å
259W82.6Confident82.6Confident53 Ų5366.3 Ų66.320%0.20132%0.318CS..EExtended strand (participates in β ladder)trans-104.9132.6177.1-57.492.8000108.4Q137 I141 V161 L162 A163 Q257 M341Q137-W259 PolarHBondContact NE2-O 3.35Å; I141-W259 HydrophobicContact CD1-CB 4.25Å; V161-W259 HydrophobicContact CG1-CB 4.03Å; V161-W259 HydrophobicContact CG1-CE3 3.93Å; L162-W259 WeakPolarHBondContact O-CA 3.49Å; A163-W259 HydrophobicContact CB-CE3 3.97Å; A163-W259 HydrophobicContact CB-CH2 4.32Å; A163-W259 HydrophobicContact CB-CZ3 3.84Å; Q257-W259 HydrophobicContact CG-CZ2 4.28Å; W259-M341 HydrophobicContact CH2-CE 4.25Å; W259-M341 HydrophobicContact CZ2-CE 3.4Å; W259-M341 VanDerWaalsContact CZ2-CE 3.4Å
260K85.2Confident81.7Confident105 Ų10567.3 Ų67.346%0.45733%0.327SS..EExtended strand (participates in β ladder)trans-116.2130.8166.4176.2170.3-175.5172.50109.7L162 I164 L262L162-K260 PolarHBondContact N-O 3.47Å; L162-K260 PolarHBondContact O-N 3.3Å; I164-K260 HydrophobicContact CD1-CB 3.1Å; I164-K260 HydrophobicContact CD1-CD 3.59Å; I164-K260 HydrophobicContact CD1-CG 3.96Å; I164-K260 HydrophobicContact CG1-CB 3.6Å; I164-K260 HydrophobicContact CG1-CD 4.39Å; K260-L262 HydrophobicContact CG-CD1 4.41Å
261V87.5Confident80.3Confident0 Ų066.6 Ų66.60%034%0.342CS..EExtended strand (participates in β ladder)trans-86.8130.6172.9179.30000106.7L123 P125 Q137 L140 I141 V161L123-V261 HydrophobicContact CD1-CB 4.16Å; P125-V261 HydrophobicContact CB-CG1 3.72Å; Q137-V261 HydrophobicContact CG-CB 4.32Å; Q137-V261 HydrophobicContact CG-CG2 3.95Å; L140-V261 HydrophobicContact CD2-CB 4.33Å; L140-V261 HydrophobicContact CD2-CG1 3.49Å; L140-V261 VanDerWaalsContact CD2-CG1 3.49Å; L140-V261 HydrophobicContact CD2-CG2 3.96Å; I141-V261 HydrophobicContact CD1-CG2 3.69Å; I141-V261 HydrophobicContact CG1-CG2 4.07Å; V161-V261 HydrophobicContact CG1-CG2 4.42Å; V161-V261 HydrophobicContact CG2-CG2 4.17Å
262L86.4Confident78.7Confident59 Ų5963.9 Ų63.931%0.30935%0.351SS..PPolyproline II helixtrans-87.1142.6175.1-90.460.8000110.4Q160 L162 K260Q160-L262 HydrophobicContact CB-CB 3.96Å; Q160-L262 PolarHBondContact O-N 3.4Å; L162-L262 HydrophobicContact CB-CD1 4.39Å; L162-L262 HydrophobicContact CD1-CD1 3.3Å; L162-L262 HydrophobicContact CD1-CD2 3.51Å; L162-L262 HydrophobicContact CD1-CG 3.97Å; L162-L262 HydrophobicContact CG-CD1 4.44Å; K260-L262 HydrophobicContact CG-CD1 4.41Å
263N88.7Confident77.1Confident74 Ų7468.6 Ų68.640%0.39638%0.379SS..PPolyproline II helixtrans-67135.6166.9-78-28.5000110.2L123 S124L123-N263 WeakPolarHBondContact CA-OD1 3.43Å; L123-N263 WeakPolarHBondContact CB-OD1 3.26Å; L123-N263 VanDerWaalsContact CD2-OD1 3.3Å; L123-N263 WeakPolarHBondContact CD2-OD1 3.49Å; S124-N263 PolarHBondContact N-OD1 3.24Å
264Y86.6Confident75.6Confident20 Ų2070.4 Ų70.48%0.07840%0.403CS..PPolyproline II helixtrans-70.5128169-174.5-105.7000110.1S124 R127 F157 K266 D269S124-Y264 WeakPolarHBondContact O-CB 3.14Å; S124-Y264 PolarHBondContact O-N 3.42Å; R127-Y264 HydrophobicContact CB-CE1 4.35Å; R127-Y264 HydrophobicContact CG-CD1 4.1Å; R127-Y264 HydrophobicContact CG-CE1 3.5Å; R127-Y264 HydrophobicContact CG-CE2 4.13Å; R127-Y264 PolarHBondContact NE-OH 3.34Å; R127-Y264 VanDerWaalsContact NE-OH 3.15Å; R127-Y264 PolarHBondContact NH2-OH 2.86Å; F157-Y264 HydrophobicContact CD1-CD2 4.09Å; F157-Y264 HydrophobicContact CD1-CE2 4.41Å; F157-Y264 HydrophobicContact CD2-CE2 4.3Å; F157-Y264 AromaticContact CE1-CD2 3.37Å; F157-Y264 HydrophobicContact CE1-CD2 3.37Å; F157-Y264 AromaticContact CE1-CE2 3.73Å; F157-Y264 HydrophobicContact CE1-CE2 3.73Å; F157-Y264 HydrophobicContact CE1-CG 4.34Å; F157-Y264 HydrophobicContact CE2-CD2 4.14Å; F157-Y264 AromaticContact CE2-CE2 3.59Å; F157-Y264 HydrophobicContact CE2-CE2 3.59Å; F157-Y264 AromaticContact CZ-CD2 3.41Å; F157-Y264 HydrophobicContact CZ-CD2 3.41Å; F157-Y264 VanDerWaalsContact CZ-CD2 3.41Å; F157-Y264 AromaticContact CZ-CE2 3.26Å; F157-Y264 HydrophobicContact CZ-CE2 3.26Å; Y264-K266 HydrophobicContact CD1-CG 3.96Å; Y264-K266 HydrophobicContact CE1-CB 4.4Å; Y264-K266 HydrophobicContact CE1-CG 3.81Å; Y264-D269 PolarHBondContact OH-OD1 3.39Å; Y264-D269 VanDerWaalsContact OH-OD1 3.05Å; Y264-D269 PolarHBondContact OH-OD2 3.48Å
265D83.9Confident73.9Confident66 Ų6672.1 Ų72.135%0.35343%0.425SS..  trans-105.7109.6176.7-178.2-1.2000109.5T267 K268D265-T267 PolarHBondContact O-N 2.74Å; D265-T267 WeakPolarHBondContact OD1-CB 3.49Å; D265-T267 PolarHBondContact OD1-N 3.29Å; D265-T267 PolarHBondContact OD1-OG1 2.75Å; D265-T267 PolarHBondContact OD2-OG1 2.87Å; D265-K268 HydrophobicContact CB-CD 4.18Å; D265-K268 HydrophobicContact CB-CG 4.23Å; D265-K268 PolarHBondContact O-N 2.89Å
266K79Confident72Confident74 Ų7472.7 Ų72.732%0.32244%0.444SS..THydrogen-bonded Turntrans-64.9-25.4-179-69.2-170.9169.5-146.20113.1R127 D129 Y264 K268 D269R127-K266 PolarHBondContact O-NZ 2.85Å; D129-K266 IonicContact OD1-NZ 2.84Å; D129-K266 PolarHBondContact OD1-NZ 3.12Å; D129-K266 IonicContact OD2-NZ 3.75Å; D129-K266 PolarHBondContact OD2-NZ 3.35Å; Y264-K266 HydrophobicContact CD1-CG 3.96Å; Y264-K266 HydrophobicContact CE1-CB 4.4Å; Y264-K266 HydrophobicContact CE1-CG 3.81Å; K266-K268 PolarHBondContact O-N 2.84Å; K266-D269 PolarHBondContact O-N 3.1Å
267T73.8Confident69.6Low93 Ų9375.9 Ų75.957%0.57148%0.477SS*.Hα-helixtrans-67.1-23-177.1650000112.6D265 D269 I270 G271D265-T267 PolarHBondContact O-N 2.74Å; D265-T267 WeakPolarHBondContact OD1-CB 3.49Å; D265-T267 PolarHBondContact OD1-N 3.29Å; D265-T267 PolarHBondContact OD1-OG1 2.75Å; D265-T267 PolarHBondContact OD2-OG1 2.87Å; T267-D269 VanDerWaalsContact C-N 3.27Å; T267-D269 PolarHBondContact O-N 3.46Å; T267-I270 PolarHBondContact O-N 3.38Å; T267-G271 PolarHBondContact O-N 3.4Å
268K70.3Confident67.5Low149 Ų14980.5 Ų80.565%0.64851%0.508SS*.Hα-helixtrans-67.2-24178.8-67.5-176.8179.2176.70114D265 K266D265-K268 HydrophobicContact CB-CD 4.18Å; D265-K268 HydrophobicContact CB-CG 4.23Å; D265-K268 PolarHBondContact O-N 2.89Å; K266-K268 PolarHBondContact O-N 2.84Å
269D68.7Low65.7Low55 Ų5581.2 Ų81.229%0.29453%0.53SS..Hα-helixtrans-80.9-41.4175.6-63.6-38.5000111.8R127 Y264 K266 T267 G271 G272R127-D269 IonicContact CZ-OD1 3.72Å; R127-D269 IonicContact CZ-OD2 3.68Å; R127-D269 VanDerWaalsContact CZ-OD2 3.23Å; R127-D269 IonicContact NE-OD2 2.67Å; R127-D269 IonicContact NH1-OD1 3.48Å; R127-D269 PolarHBondContact NH1-OD1 3.32Å; R127-D269 VanDerWaalsContact NH1-OD1 3.1Å; R127-D269 IonicContact NH1-OD2 3.22Å; R127-D269 PolarHBondContact NH1-OD2 2.87Å; R127-D269 IonicContact NH2-OD1 3.23Å; R127-D269 PolarHBondContact NH2-OD1 3.26Å; R127-D269 IonicContact NH2-OD2 2.8Å; R127-D269 PolarHBondContact NH2-OD2 3.33Å; Y264-D269 PolarHBondContact OH-OD1 3.39Å; Y264-D269 VanDerWaalsContact OH-OD1 3.05Å; Y264-D269 PolarHBondContact OH-OD2 3.48Å; K266-D269 PolarHBondContact O-N 3.1Å; T267-D269 VanDerWaalsContact C-N 3.27Å; T267-D269 PolarHBondContact O-N 3.46Å; D269-G271 VanDerWaalsContact C-N 3.25Å; D269-G271 PolarHBondContact O-N 3.28Å; D269-G272 PolarHBondContact O-N 2.65Å; D269-G272 VanDerWaalsContact O-N 3.09Å
270I66.4Low63.3Low125 Ų12582.6 Ų82.664%0.64156%0.561SS**Hα-helixtrans-67.7-29.8-173-58.2174.5000111.1T267 G272T267-I270 PolarHBondContact O-N 3.38Å; I270-G272 VanDerWaalsContact C-N 3.26Å; I270-G272 PolarHBondContact O-N 3.2Å
271G58Low61Low64 Ų6487.4 Ų87.466%0.6658%0.581SS**THydrogen-bonded Turntrans-73.2-10.6175.700000115.2T267 D269T267-G271 PolarHBondContact O-N 3.4Å; D269-G271 VanDerWaalsContact C-N 3.25Å; D269-G271 PolarHBondContact O-N 3.28Å
272G52.5Low58.5Low61 Ų6195.9 Ų95.963%0.62963%0.626SS**THydrogen-bonded Turntrans-79.5-26176.200000113.6D269 I270D269-G272 PolarHBondContact O-N 2.65Å; D269-G272 VanDerWaalsContact O-N 3.09Å; I270-G272 VanDerWaalsContact C-N 3.26Å; I270-G272 PolarHBondContact O-N 3.2Å
273D54.4Low55.9Low149 Ų14996.1 Ų96.180%0.79764%0.643SS**SBendtrans-105.2-2.4-171.9-63.4-35.1000113.6G275D273-G275 PolarHBondContact O-N 3.02Å
274A51.5Low53.4Low89 Ų8998.9 Ų98.974%0.73667%0.665SS**  trans-89.930.617800000113.6
275G47.7Very low50.8Low80 Ų80109.8 Ų109.883%0.82571%0.706SS**SBendtrans-111.746.8178.600000113.1D273D273-G275 PolarHBondContact O-N 3.02Å
276G41Very low48.3Very low76 Ų76113 Ų11378%0.78473%0.728SS**SBendtrans178.5106.6174.200000114.7
277G36Very low46.1Very low67 Ų67115.4 Ų115.469%0.69175%0.754SS**  trans109.898.3148.900000118.5
278T38.4Very low44Very low142 Ų142122.6 Ų122.687%0.87177%0.771SS**  trans72.5105.5136.848.60000122.3
279A40.9Very low42.1Very low105 Ų105122.2 Ų122.287%0.86878%0.781SS**  59.9102.7124.600000120
280G32.8Very low40.2Very low82 Ų82123 Ų12385%0.84580%0.802SS**  trans-15082.8157.700000110
281K37.3Very low39.4Very low206 Ų206123 Ų12390%0.89681%0.81SS**  trans-74.4118.3-177.6-165.3178.3-174-1720109.5
282L34.1Very low38.1Very low177 Ų177126.6 Ų126.693%0.92782%0.82SS**  trans-130.9118158.4-135.781.9000108.9
283G32.4Very low37.1Very low65 Ų65129 Ų12967%0.6783%0.827SS**  trans-79.2165.6-166.200000115.2
284P35.4Very low35.9Very low132 Ų132125.6 Ų125.686%0.85783%0.827SS**  trans-83.6122.5174.92.816.1000110.1T286P284-T286 PolarHBondContact O-N 2.58Å
285R32.1Very low34.9Very low248 Ų248125.8 Ų125.894%0.93683%0.828SS**  trans-81.1111.5172.9-157175.8-179.3-163.70.2108.9
286T32.4Very low34Very low135 Ų135128.5 Ų128.583%0.82883%0.829SS**  trans-62.5136.7167.649.10000111.3P284P284-T286 PolarHBondContact O-N 2.58Å
287S31.3Very low33.5Very low123 Ų123130.9 Ų130.986%0.8683%0.834SS**  trans-130122.7155.952.60000110.1
288R30.7Very low33.4Very low244 Ų244139.2 Ų139.292%0.92184%0.844SS**  trans-79.1155.4-170.4-130.7174.5-163.51692.6111.7
289T30.3Very low34.1Very low141 Ų141137.8 Ų137.887%0.86584%0.837SS**  trans-57.6157.3170.745.30000116.8
290G29.5Very low34Very low72 Ų72139.1 Ų139.174%0.74284%0.837SS**  trans-177.5152156.900000113
291P48.2Very low33.9Very low125 Ų125139.8 Ų139.881%0.81283%0.834SS**  -129.4176.9-116.440.8-28000116.3
292T30.4Very low33.7Very low139 Ų139134.2 Ų134.285%0.85383%0.827SS**  trans161.3150.5151.230.50000109
293S31.4Very low33.5Very low113 Ų113134.6 Ų134.679%0.7982%0.824SS**  cis-177.1149.3-20.940.60000106.7
294G30.2Very low33.4Very low76 Ų76143.2 Ų143.278%0.78484%0.837SS**  trans96.1103.1162.300000115.6
295A29.8Very low33.3Very low93 Ų93146.1 Ų146.177%0.76984%0.841SS**  88.9109.370.700000114.5
296T29.3Very low33.3Very low138 Ų138145.9 Ų145.985%0.84784%0.84SS**  trans52.4120.6139.9460000121.8
297S30.8Very low33.7Very low125 Ų125146 Ų14687%0.87484%0.841SS**  -174.3148.7114.356.60000113.5
298R33.7Very low34Very low243 Ų243148.5 Ų148.592%0.91784%0.844SS**  trans-71.9173.9-171.9-103.2177.1172179.8-2.9115.9
299P53.3Low34.2Very low112 Ų112145 Ų14573%0.72784%0.842SS**  trans-90.8177.6-17039-35.3000113.4
300P39.3Very low34.6Very low133 Ų133143.5 Ų143.586%0.86484%0.835SS**  -142170124.834.3-17.5000115.3
301A30.7Very low35.4Very low95 Ų95149.7 Ų149.779%0.78584%0.844SS**  trans-91.1169.2-166.800000114.9
302A31.5Very low35.4Very low90 Ų90154.6 Ų154.674%0.74485%0.847SS**  trans97.2130.8137.600000120.6
303Q30.6Very low36.2Very low185 Ų185153 Ų15386%0.86484%0.84SS**  trans79.8105.8150.3-75.2173.7-19.600120
304R30.3Very low36.9Very low246 Ų246150 Ų15093%0.92883%0.828SS**  -170.6125.996.4-103.4174.4179.9173.30.4112.2R306R304-R306 PolarHBondContact O-N 3.48Å
305M34.4Very low37.8Very low192 Ų192156.1 Ų156.195%0.94683%0.828SS**  trans-54.7127161.1-102171.5165.600110.3
306R31.6Very low39.1Very low244 Ų244155.7 Ų155.792%0.92182%0.817SS**  trans-139121.1147-95.7-175.8179.1147.8-1.3108.7R304 L308R304-R306 PolarHBondContact O-N 3.48Å; R306-L308 PolarHBondContact O-N 3.42Å
307T41.2Very low40.3Very low138 Ų138154.2 Ų154.285%0.84780%0.802SS**  trans-58.3117.617233.80000111.1
308L35.9Very low41.3Very low175 Ų175154.4 Ų154.492%0.91679%0.793SS**  trans-141.2127.8155.9-75.8-179.2000110.6R306R306-L308 PolarHBondContact O-N 3.42Å
309L36.1Very low42.2Very low169 Ų169149.5 Ų149.589%0.88578%0.78SS**  trans-56150.9-178.2-152.470.4000112.4
310P39.3Very low42Very low111 Ų111149.8 Ų149.872%0.72178%0.775SS**  trans-85.3119.4-16219.8-8.7000114.2R312P310-R312 VanDerWaalsContact C-N 3.33Å; P310-R312 PolarHBondContact O-N 3.16Å
311Q45.6Very low42.5Very low201 Ų201148.9 Ų148.994%0.93976%0.762SS**  trans-74.678.1162.3-85.5-157-6.600111.2
312R48.7Very low43.2Very low228 Ų228146.3 Ų146.386%0.8675%0.745SS**  trans-135.821.4174-106.1-173.9-177-168.11.3115.9P310P310-R312 VanDerWaalsContact C-N 3.33Å; P310-R312 PolarHBondContact O-N 3.16Å
313C46.8Very low44Very low105 Ų105149.7 Ų149.771%0.70975%0.745SS**SBendtrans-99.81.3-175.6-139.90000116.1
314G44.9Very low44.4Very low52 Ų52147.5 Ų147.554%0.53674%0.739SS.*SBendtrans-92-29.1-178.700000115.3
315Y50.2Low45Very low203 Ų203145.1 Ų145.180%0.79673%0.73SS**Hα-helixtrans-83.2-25.2-169.9-101-89.1000114H319Y315-H319 PolarHBondContact O-N 3.43Å
316T56.6Low45.2Very low85 Ų85140.8 Ų140.852%0.52172%0.716SS.*Hα-helixtrans-73.9-31.2-178.821.80000113.1L320T316-L320 WeakPolarHBondContact O-CD1 3.38Å; T316-L320 PolarHBondContact O-N 3.49Å; T316-L320 VanDerWaalsContact O-N 3.12Å
317I54Low45.2Very low107 Ų107134.9 Ų134.955%0.54971%0.709SS.*Hα-helixtrans-75.2-38.6-178.9-60.4175000111.4H319 L320 L321I317-H319 VanDerWaalsContact C-N 3.31Å; I317-H319 PolarHBondContact O-N 2.83Å; I317-L320 PolarHBondContact O-N 3.3Å; I317-L321 HydrophobicContact CG2-CD1 4.18Å; I317-L321 WeakPolarHBondContact O-CG 3.27Å; I317-L321 PolarHBondContact O-N 2.83Å
318L53.4Low44.7Very low129 Ų129135.7 Ų135.768%0.67571%0.708SS**Hα-helixtrans-68.1-31.5175.6-76.9167.9000112.3G322L318-G322 PolarHBondContact O-N 3.45Å
319H50.9Low44.4Very low139 Ų139134 Ų13464%0.64471%0.706SS**Hα-helixtrans-75-33.9176.2-133.2-93.1000112.7Y315 I317 G322 Q323Y315-H319 PolarHBondContact O-N 3.43Å; I317-H319 VanDerWaalsContact C-N 3.31Å; I317-H319 PolarHBondContact O-N 2.83Å; H319-G322 PolarHBondContact O-N 2.97Å; H319-Q323 WeakPolarHBondContact O-CG 3.21Å; H319-Q323 PolarHBondContact O-N 3.1Å
320L50.3Low44.4Very low118 Ų118138 Ų13862%0.61871%0.709SS**Hα-helixtrans-69-35.8173-97.2143.2000112.5T316 I317 G322 Q323T316-L320 WeakPolarHBondContact O-CD1 3.38Å; T316-L320 PolarHBondContact O-N 3.49Å; T316-L320 VanDerWaalsContact O-N 3.12Å; I317-L320 PolarHBondContact O-N 3.3Å; L320-G322 VanDerWaalsContact C-N 3.3Å; L320-G322 PolarHBondContact O-N 3.25Å; L320-Q323 PolarHBondContact O-N 3.05Å
321L48.7Very low43.8Very low114 Ų114137.8 Ų137.860%0.59771%0.71SS**Hα-helixtrans-73-21.1175.1-73167.9000113.4I317I317-L321 HydrophobicContact CG2-CD1 4.18Å; I317-L321 WeakPolarHBondContact O-CG 3.27Å; I317-L321 PolarHBondContact O-N 2.83Å
322G46.5Very low43.4Very low41 Ų41133.3 Ų133.342%0.42370%0.701SS.*Hα-helixtrans-74.8-2817200000113.9L318 H319 L320L318-G322 PolarHBondContact O-N 3.45Å; H319-G322 PolarHBondContact O-N 2.97Å; L320-G322 VanDerWaalsContact C-N 3.3Å; L320-G322 PolarHBondContact O-N 3.25Å
323Q47Very low42.5Very low161 Ų161127.7 Ų127.775%0.75270%0.697SS**Hα-helixtrans-86.6-10-177.1-68.2-111.5-28.400113.9H319 L320H319-Q323 WeakPolarHBondContact O-CG 3.21Å; H319-Q323 PolarHBondContact O-N 3.1Å; L320-Q323 PolarHBondContact O-N 3.05Å
324L40.5Very low41.7Very low140 Ų140132 Ų13273%0.73371%0.706SS**THydrogen-bonded Turntrans-91.85.8174.8-74.9163.5000113.4P326L324-P326 WeakPolarHBondContact O-CD 3.47Å
325R42.2Very low41.1Very low195 Ų195134.7 Ų134.774%0.73672%0.717SS**SBendtrans-78.7113.7171.4-173.8178.1-72.1144.4-2.5108.5
326P37.8Very low40.4Very low102 Ų102126.8 Ų126.866%0.66270%0.697SS**  trans-65.2150.8176.426.3-31.5000110.4L324 D328L324-P326 WeakPolarHBondContact O-CD 3.47Å; P326-D328 PolarHBondContact O-N 3.2Å
327P32.7Very low39.5Very low119 Ų119132.2 Ų132.277%0.77371%0.708SS**  trans-69.4127.2-179.828-32000110.4T329P327-T329 PolarHBondContact O-N 3.44Å
328D31.4Very low38.7Very low155 Ų155134.4 Ų134.483%0.82972%0.716SS**  trans-61107.2171.5-76.2-54.1000109.8P326 R330P326-D328 PolarHBondContact O-N 3.2Å; D328-R330 PolarHBondContact O-N 3.32Å; D328-R330 VanDerWaalsContact O-N 3.16Å
329T29.2Very low38.3Very low140 Ų140131.9 Ų131.986%0.85971%0.706SS**  trans-74.9102.116329.10000107.9P327 S331P327-T329 PolarHBondContact O-N 3.44Å; T329-S331 PolarHBondContact O-N 3.13Å
330R34.8Very low37.8Very low252 Ų252129.2 Ų129.295%0.95170%0.699SS**  trans-62.395.9169.4-164.9176.3-177170.5-0.5109.1D328D328-R330 PolarHBondContact O-N 3.32Å; D328-R330 VanDerWaalsContact O-N 3.16Å
331S28.1Very low37.6Very low108 Ų108126 Ų12676%0.75568%0.682SS**  trans-161.6138.8156.4-171.10000111.3T329T329-S331 PolarHBondContact O-N 3.13Å
332S37.6Very low37.1Very low107 Ų107130.6 Ų130.675%0.74869%0.691SS**  trans-35.8121.8-177.653.40000117.3
333S29Very low36.9Very low110 Ų110132.6 Ų132.677%0.76970%0.695SS**  -179.691.5126.160.10000108.4S335S333-S335 PolarHBondContact O-N 3.04Å
334H30.4Very low36.3Very low194 Ų194130.7 Ų130.790%0.89869%0.694SS**  trans-74.571.7176.7-143.7-87.5000109.3G336H334-G336 PolarHBondContact O-N 3.5Å
335S32.8Very low36.1Very low110 Ų110129.9 Ų129.977%0.76970%0.695SS**  trans-73.677.8167.2178.70000108.1S333 R337S333-S335 PolarHBondContact O-N 3.04Å; S335-R337 PolarHBondContact O-N 2.92Å
336G34.3Very low35.6Very low37 Ų37131 Ų13138%0.38172%0.723SS.*  trans-52.1130.7165.800000108.5H334 E338H334-G336 PolarHBondContact O-N 3.5Å; G336-E338 PolarHBondContact O-N 3.02Å
337R37.9Very low35.5Very low198 Ų198132.5 Ų132.575%0.74773%0.726SS**  trans-64.689.4169.6-64.3171.175.795.14.3106.7S335 V339S335-R337 PolarHBondContact O-N 2.92Å; R337-V339 VanDerWaalsContact C-N 3.33Å; R337-V339 PolarHBondContact O-N 2.76Å
338E37.6Very low35.7Very low154 Ų154133.2 Ų133.272%0.7272%0.724SS**  trans-6596.1173.9-169.9175.7-178.200107.5G336 V340G336-E338 PolarHBondContact O-N 3.02Å; E338-V340 HydrophobicContact CG-CG2 4.01Å; E338-V340 PolarHBondContact O-N 3.47Å
339V45.1Very low35.9Very low75 Ų75131.9 Ų131.946%0.45572%0.718SS.*  trans-90.894.3167-176.60000104.8R337 M341R337-V339 VanDerWaalsContact C-N 3.33Å; R337-V339 PolarHBondContact O-N 2.76Å; V339-M341 VanDerWaalsContact C-N 3.34Å; V339-M341 PolarHBondContact O-N 3.4Å
340V40.2Very low36.3Very low83 Ų83131.5 Ų131.550%0.50371%0.71SS.*  trans-62.1100.1170.2179.10000107E338 R342E338-V340 HydrophobicContact CG-CG2 4.01Å; E338-V340 PolarHBondContact O-N 3.47Å; V340-R342 HydrophobicContact CG1-CG 4.17Å; V340-R342 PolarHBondContact O-N 3.4Å
341M45.2Very low36.4Very low51 Ų51123.9 Ų123.925%0.25170%0.695SS.*  trans-86.884.6175.8-163-179.9-65.500107.3W259 V339 V343W259-M341 HydrophobicContact CH2-CE 4.25Å; W259-M341 HydrophobicContact CZ2-CE 3.4Å; W259-M341 VanDerWaalsContact CZ2-CE 3.4Å; V339-M341 VanDerWaalsContact C-N 3.34Å; V339-M341 PolarHBondContact O-N 3.4Å; M341-V343 HydrophobicContact CG-CG2 4.28Å; M341-V343 PolarHBondContact O-N 3.47Å
342R40.2Very low37Very low211 Ų211125 Ų12580%0.79669%0.691SS**  trans-76103.5159.5-74.6-171.5176.7101.90.5106.1V340 T344V340-R342 HydrophobicContact CG1-CG 4.17Å; V340-R342 PolarHBondContact O-N 3.4Å; R342-T344 VanDerWaalsContact C-N 3.3Å; R342-T344 PolarHBondContact O-N 3.38Å
343V41.4Very low36.9Very low83 Ų83126.3 Ų126.350%0.50369%0.686SS.*  trans-65.198.2166.4172.40000106S145 M341 T345S145-V343 WeakPolarHBondContact OG-CG2 3.47Å; M341-V343 HydrophobicContact CG-CG2 4.28Å; M341-V343 PolarHBondContact O-N 3.47Å; V343-T345 VanDerWaalsContact C-N 3.28Å; V343-T345 HydrophobicContact CG1-CG2 4.01Å; V343-T345 PolarHBondContact O-N 3.37Å
344T33.7Very low37.5Very low121 Ų121127.5 Ų127.574%0.74268%0.68SS**  trans-6995.8161.949.90000105.9R342R342-T344 VanDerWaalsContact C-N 3.3Å; R342-T344 PolarHBondContact O-N 3.38Å
345T37.3Very low38.1Very low122 Ų122122 Ų12275%0.74866%0.662SS**  trans-62.9132.8160.9470000107.9V343V343-T345 VanDerWaalsContact C-N 3.28Å; V343-T345 HydrophobicContact CG1-CG2 4.01Å; V343-T345 PolarHBondContact O-N 3.37Å
346V31.8Very low38.6Very low219 Ų219123.1 Ų123.1100%1.32765%0.652SS**  trans-13.20-179.8-1650000116.6

Retrieved 346 of 346 residues in 395.4 ms (Link to these results)