A0A060WRW1_ONCMY Loading...

Fli-1 proto-oncogene, ETS transcription factor

AlphaFold DB , UniProt , Accession A0A060WRW1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110504034, Length 461 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
1M36.5Very low45.2Very low228 Ų228152.3 Ų152.3100%1.12382%0.823SS**  081.60-65.6170.8177.700106
2N41.8Very low45.1Very low138 Ų138148.2 Ų148.274%0.73882%0.815SS**  64.596.955.1-55.246.7000111.8
3M41.3Very low45Very low192 Ų192153.2 Ų153.295%0.94682%0.817SS**  trans-133.8138.8131.3-76.4-159.9-73.900107.7
4F43.6Very low45Very low192 Ų192151.6 Ų151.684%0.84282%0.815SS**  trans-87.5144.3172.2-74.6-106.5000108.6
5Q44.8Very low44.9Very low191 Ų191154.6 Ų154.689%0.89382%0.817SS**  trans-111.3125.1162.9-164.195.93700107.6
6T45Very low44.6Very low127 Ų127156.8 Ų156.878%0.77982%0.822SS**PPolyproline II helixtrans-82.4143.7-175.743.40000112.2
7V52.3Low44.1Very low137 Ų137153.1 Ų153.183%0.8382%0.819SS**PPolyproline II helixtrans-85.7131.7171.1-171.40000108.9
8P52.2Low43.6Very low117 Ų117154.2 Ų154.276%0.7682%0.824SS**PPolyproline II helixtrans-78.4143.6172.731.5-33.4000112.1
9D42.3Very low43.3Very low132 Ų132151.7 Ų151.771%0.70682%0.82SS**PPolyproline II helixtrans-77.7143.5177.5-175.4-3.9000111.5S11D9-S11 VanDerWaalsContact OD1-CB 3.3Å; D9-S11 WeakPolarHBondContact OD1-CB 3.24Å; D9-S11 PolarHBondContact OD1-N 3.01Å
10T50.9Low42.9Very low124 Ų124151.1 Ų151.176%0.76182%0.821SS**  trans-96.11.9-179.650.70000114.3S12T10-S12 PolarHBondContact O-N 3.48Å
11S46.6Very low42.4Very low97 Ų97150.8 Ų150.868%0.67882%0.823SS**THydrogen-bonded Turntrans-61-4.3-176.9-164.40000116.3D9D9-S11 VanDerWaalsContact OD1-CB 3.3Å; D9-S11 WeakPolarHBondContact OD1-CB 3.24Å; D9-S11 PolarHBondContact OD1-N 3.01Å
12S44Very low42.4Very low103 Ų103145 Ų14572%0.7281%0.805SS**THydrogen-bonded Turntrans-87.6-21.4-173.755.90000116.2T10 V14T10-S12 PolarHBondContact O-N 3.48Å; S12-V14 VanDerWaalsContact C-N 3.35Å; S12-V14 PolarHBondContact O-N 3.05Å
13Y43.9Very low42.2Very low214 Ų214147.6 Ų147.684%0.83981%0.813SS**SBendtrans-83.21.8-164.7-152-104.2000115.9
14V45.1Very low42Very low131 Ų131144.8 Ų144.879%0.79480%0.802SS**SBendtrans-110.131.8-167.6-156.10000113.2S12S12-V14 VanDerWaalsContact C-N 3.35Å; S12-V14 PolarHBondContact O-N 3.05Å
15K42.8Very low41.5Very low196 Ų196143.5 Ų143.585%0.85280%0.799SS**SBendtrans-132-2178.5-72.5-171.1176.6178.60116.3
16E41.1Very low41.1Very low190 Ų190139.8 Ų139.889%0.88879%0.794SS**SBendtrans-107.724.7-174.6-147.9176156.600113.7
17A35.8Very low40.6Very low93 Ų93141 Ų14177%0.76980%0.795SS**SBendtrans-124.35.7-175.700000114.9
18L34.6Very low39.7Very low174 Ų174143.8 Ų143.891%0.91180%0.796SS**SBendtrans-135.432.6-174.7-69.5175.3000113
19S39.1Very low39.1Very low107 Ų107146.2 Ų146.275%0.74880%0.797SS**  trans-146.952.2-175.2-174.10000113.8
20V34.8Very low39.3Very low139 Ų139145 Ų14584%0.84280%0.797SS**  trans-148.1150.8166.5-118.80000111.2
21V32Very low39.6Very low144 Ų144143.3 Ų143.387%0.87379%0.788SS**  trans72.472.7179.8-162.60000115.5
22S35.6Very low38.9Very low106 Ų106149 Ų14974%0.74180%0.796SS**  trans-137.5125.8138.9-78.30000108.4
23E39Very low38.2Very low193 Ų193148.3 Ų148.390%0.90280%0.796SS**  trans64.3143.6166.8-62161.7140.600114.6
24D36Very low37.7Very low134 Ų134143.1 Ų143.172%0.71780%0.798SS**  cis-160.1172.245.8-164.60.8000113.1
25Q32.7Very low37Very low164 Ų164142.1 Ų142.177%0.76680%0.803SS**  trans72.4106.1151.4-94.8163.282.900123.3
26S36.5Very low36.6Very low113 Ų113137.4 Ų137.479%0.7980%0.801SS**  trans-40.6148.3154.7-178.60000116.7
27L36Very low36.9Very low153 Ų153133.5 Ų133.580%0.80179%0.792SS**  trans-144.1146.3160-98.5165.5000110
28F33.6Very low36.6Very low195 Ų195136.5 Ų136.586%0.85579%0.794SS**  trans7881.8-180-65.1-78.7000119.6
29E39.7Very low37.2Very low168 Ų168133.9 Ų133.979%0.78579%0.787SS**  -90178124.1-122.2-153.399.800108.1
30P46.3Very low36.9Very low108 Ų108137 Ų13770%0.70179%0.788SS**  cis-143.9-149.123.748.4-27.6000112.5
31P55.6Low36.8Very low88 Ų88137.3 Ų137.357%0.57179%0.79SS**  cis-132.8177.2-25.332.7-12.9000116.2
32Y31.9Very low36.6Very low217 Ų217136.7 Ų136.785%0.85178%0.782SS**  trans8294.2149-74.9-58.3000123.4
33A30.6Very low36.7Very low88 Ų88141 Ų14173%0.72779%0.793SS**  68.1106.2113.800000123.7
34A32.6Very low36.6Very low105 Ų105137.6 Ų137.687%0.86879%0.785SS**  54.9109.6118.800000122.4
35A30.3Very low36.4Very low110 Ų110135.2 Ų135.291%0.90978%0.784SS**  trans-158.4156.2141.800000111.7
36A34.4Very low36.3Very low97 Ų97133.5 Ų133.580%0.80279%0.79SS**  trans-163.9165.2176.300000109.6
37P47.9Very low35.9Very low107 Ų107131.5 Ų131.570%0.69579%0.787SS**  cis-132.8-169.1-2337.2-18.8000113.4
38L30.2Very low35.6Very low156 Ų156130.4 Ų130.482%0.81779%0.787SS**  trans72.4163160.9-65.3168.4000118.4
39P46.7Very low35.4Very low119 Ų119128.8 Ų128.877%0.77378%0.782SS**  cis-125.7175.1-831.7-11.5000116.6
40K33.5Very low34.8Very low173 Ų173126.4 Ų126.475%0.75278%0.775SS**  trans-41157.7172.9-50.9169.2176.7-176.20118.5
41T32.4Very low34Very low146 Ų146131.2 Ų131.290%0.89678%0.781SS**  trans-137.6142.8134.731.60000111
42D27.4Very low32.7Very low131 Ų131133.5 Ų133.570%0.70179%0.793SS**  trans-88.6160.7-178.3-61.8-104.7000112.9
43M37.4Very low32.8Very low197 Ų197130 Ų13097%0.9778%0.784SS**  trans-129.3124.2155.8-79.4-168.270.700109.7
44T37.2Very low33.3Very low121 Ų121131.4 Ų131.474%0.74279%0.785SS**  trans-122119.5-166.5-72.80000112.4
45A31.2Very low33.2Very low83 Ų83133.5 Ų133.569%0.68678%0.777SS**  trans47.7147143.700000123.5
46S30.9Very low33.1Very low128 Ų128137.4 Ų137.490%0.89577%0.773SS**  trans70.9153.2155-56.50000117.8
47G28.2Very low33Very low71 Ų71139.7 Ų139.773%0.73277%0.771SS**  cis178.9175.6-4.300000113.4
48T29Very low32.1Very low131 Ų131141.4 Ų141.480%0.80477%0.774SS**  trans-32.8155.9165.839.90000116.7
49Q29.6Very low32.6Very low160 Ų160139.7 Ų139.775%0.74877%0.772SS**  cis-168157.827.5-137.5-179.5-49.600115
50D27.8Very low32.1Very low118 Ų118141.4 Ų141.463%0.63177%0.774SS**  trans52.9136.2139.5-88.9-45.2000128.4
51Y29.5Very low32.3Very low210 Ų210138.7 Ų138.782%0.82477%0.774SS**  trans86.4148137.8-104.5-82.8000127.1
52V27.9Very low32.4Very low136 Ų136137.8 Ų137.882%0.82477%0.771SS**  trans91.3136.8162.3-157.70000119.4
53Q33.7Very low33Very low143 Ų143140.6 Ų140.667%0.66878%0.78SS**  trans-115168.3-175.3-157.5-169.52600110.8
54P42Very low32.5Very low117 Ų117140 Ų14076%0.7677%0.774SS**  -150.5164.7107.135.8-16.9000118.3
55H29.1Very low32.2Very low150 Ų150142.9 Ų142.969%0.69478%0.78SS**  trans-57.3155.1-170.7-37.5-78.4000121.1
56K29.6Very low31.9Very low191 Ų191149.8 Ų149.883%0.8379%0.788SS**  178.8116.1117.7-94.6-176.6-179.4-1800110.9
57I32Very low31.8Very low146 Ų146150.3 Ų150.375%0.74978%0.779SS**  110.1108.580.3-83.4178.8000112.9
58N28.7Very low31.7Very low143 Ų143153.7 Ų153.777%0.76578%0.781SS**  trans26.9160.9140.4-75.415.7000123.9
59P41.3Very low31.8Very low119 Ų119155.3 Ų155.377%0.77378%0.779SS**  cis-136.2-177.520.242.5-24.5000118.3
60L35.9Very low32.5Very low155 Ų155152.6 Ų152.681%0.81278%0.776SS**PPolyproline II helixtrans-98.2158.9170.4-74.382.7000112.9
61P36.8Very low32.4Very low117 Ų117153.6 Ų153.676%0.7679%0.785SS**PPolyproline II helixtrans-94.5164.8151.836.8-30.1000112.9
62P36Very low32.4Very low127 Ų127154.4 Ų154.483%0.82579%0.787SS**PPolyproline II helixtrans-103.8167.4-16039.6-37.1000117
63Q38.2Very low32.2Very low190 Ų190155.1 Ų155.189%0.88879%0.791SS**PPolyproline II helixtrans-84.3152.2156.3-80.9-170.7-30.200111.3
64Q28.3Very low31.8Very low183 Ų183154.4 Ų154.486%0.85579%0.792SS**  trans-156.9133.5149.4-161.9125.425.600112
65E30.9Very low31.1Very low182 Ų182155.9 Ų155.985%0.8580%0.799SS**  trans-91.9145.2164.3-58.4173.5106.300110
66W24.2Very low31.2Very low229 Ų229155.5 Ų155.587%0.86780%0.795SS**  177.5179.9117.470-63.3000113.3
67I30.3Very low31.2Very low138 Ų138157.7 Ų157.771%0.70880%0.798SS**  trans-94.6148.8-160.4-82165.3000113.6
68N24Very low30.9Very low142 Ų142156.1 Ų156.176%0.75979%0.788SS**  -166.6145.6127.7-103.3-58.8000116
69Q32.1Very low30.7Very low165 Ų165158.3 Ų158.377%0.77179%0.786SS**  trans-104.7-165.3167.3-88.6-109.510.200107.4
70P44.7Very low30.1Very low104 Ų104158.4 Ų158.468%0.67578%0.781SS**  cis-141.9177.74.244.2-26.6000117.4
71V26Very low29.8Very low138 Ų138158.7 Ų158.784%0.83678%0.777SS**  trans-134.7149.8141-179.10000110.1
72R29.2Very low29.5Very low227 Ų227160 Ų16086%0.85778%0.777SS**  trans-76.8166-169.5-46.2179.6178.8-161-2.8112.3
73V24Very low29.1Very low151 Ų151161.7 Ų161.792%0.91578%0.779SS**  -137.5158.972.5-151.50000113
74N25.7Very low28.6Very low128 Ų128155.4 Ų155.468%0.68477%0.765SS**  trans-146.8140.2-179.6152.259000110.9
75V27Very low28.6Very low149 Ų149152.4 Ų152.490%0.90376%0.764SS**  trans-139.5138.9151.2-178.40000109.2
76K29.9Very low28.7Very low141 Ų141149 Ų14961%0.61376%0.761SS**  trans-127149.4-173.7140.9-179.5175.8161.20111.2E78K76-E78 WeakPolarHBondContact CE-OE2 3.39Å; K76-E78 IonicContact NZ-OE2 3.4Å; K76-E78 PolarHBondContact NZ-OE2 3.29Å
77R31Very low29.2Very low237 Ų237148.1 Ų148.189%0.89476%0.757SS**  trans-155157.8146-157.5157.7-68.5-163.40.3111.7
78E24Very low29.3Very low114 Ų114148.1 Ų148.153%0.53375%0.754SS.*  trans-131.6175-175.6-65.3168.590.100110.7K76K76-E78 WeakPolarHBondContact CE-OE2 3.39Å; K76-E78 IonicContact NZ-OE2 3.4Å; K76-E78 PolarHBondContact NZ-OE2 3.29Å
79Y25.2Very low30Very low188 Ų188146.6 Ų146.674%0.73775%0.754SS**  trans69.4146.2170-71.6-86.1000116.1
80D28.1Very low30.8Very low122 Ų122144.3 Ų144.365%0.65275%0.754SS**  cis-140.4162.215.7-102.4-64.3000113.1
81H30.2Very low30.7Very low160 Ų160145.5 Ų145.574%0.74176%0.759SS**  trans15.3150.4154.8-59.788.9000122.2
82I30.2Very low31Very low146 Ų146146.1 Ų146.175%0.74976%0.758SS**  cis-163.7160.130.6-160.571.3000111.5
83N27.3Very low31Very low161 Ų161140.2 Ų140.286%0.86175%0.75SS**  trans43.3140157-127.714.7000121.7
84G27.8Very low31.5Very low58 Ų58138.3 Ų138.360%0.59874%0.744SS**  cis164.1160-3.400000112.6
85S29.8Very low31.8Very low120 Ų120139.1 Ų139.184%0.83975%0.753SS**  trans69.1146.5-179.7-140.90000116.2
86S32.6Very low31.8Very low112 Ų112135.9 Ų135.978%0.78375%0.749SS**  cis-129.7144.27.7-64.80000114.2
87R34.1Very low31.8Very low209 Ų209132.9 Ų132.979%0.78976%0.759SS**  trans-100.7168163.2-82.3168.9157.7-118.41.2108.2
88E33.3Very low31.9Very low139 Ų139131.9 Ų131.965%0.6576%0.761SS**  cis-157.4169.7-7.3-120.6154.9159.500108.7
89S37.1Very low32.2Very low109 Ų109131.5 Ų131.576%0.76277%0.77SS**  trans-113.7134.5162.8178.80000109.1
90P50.1Low32.5Very low118 Ų118129.4 Ų129.477%0.76677%0.771SS**  trans-113.5130.1169.317.23000112.9
91V42.3Very low32.8Very low128 Ų128132.2 Ų132.278%0.77678%0.778SS**  trans-96.3151.6148.6-65.40000108.1
92D31.3Very low32.9Very low151 Ų151132 Ų13281%0.80778%0.781SS**  -170.3-179.9118.5-130.8-48000113.2
93C30.7Very low33Very low104 Ų104131.2 Ų131.270%0.70378%0.783SS**  trans-107.6162.4-163.6-46.70000113.6
94S33.1Very low33.1Very low111 Ų111127.3 Ų127.378%0.77678%0.78SS**  159.6136.6120.6-77.20000118.2
95V32.1Very low33.1Very low145 Ų145127.9 Ų127.988%0.87979%0.786SS**  trans68.7119.8137.7176.20000122.7
96G28.2Very low33.2Very low80 Ų80129.3 Ų129.383%0.82579%0.785SS**  111.5117.8125.200000119
97G30.5Very low33.1Very low79 Ų79130.3 Ų130.381%0.81478%0.781SS**  trans-156-12.9-17500000122.6
98K31.6Very low33.3Very low215 Ų215126.2 Ų126.294%0.93578%0.78SS**  trans60.2-175.6175.5-73.4-179.7174.31760117.1
99C31.1Very low33.3Very low107 Ų107125.2 Ų125.272%0.72379%0.788SS**  trans-151175.9-158.559.70000115.1
100N30.4Very low33.4Very low143 Ų143129.2 Ų129.277%0.76579%0.794SS**  trans80.7103.7160.5-69.1-2.4000122.1
101K35.7Very low32.9Very low182 Ų182132.1 Ų132.179%0.79180%0.8SS**  52126.7110.8-171.6-176.5-176-178.30121.1
102L32.4Very low32.6Very low156 Ų156132.2 Ų132.282%0.81781%0.806SS**  trans177.4122.7133.4-90.1172.8000106.7
103V32.1Very low32.6Very low128 Ų128135.6 Ų135.678%0.77681%0.809SS**  99.8128.464.8159.20000113.7
104G28.5Very low32.7Very low79 Ų79133.5 Ų133.581%0.81481%0.806SS**  trans117.5137.7177.400000112.9
105G29.1Very low32.5Very low70 Ų70133 Ų13372%0.72280%0.802SS**  cis162.6115.9-8.700000111.5
106N31.5Very low32.6Very low150 Ų150136.9 Ų136.980%0.80280%0.803SS**  trans60.1160.4-169.8-80.439.8000114.7
107D31.1Very low33.5Very low134 Ų134140.5 Ų140.572%0.71780%0.8SS**  cis-139-179.80.8-138.1-49000113.1
108T38.1Very low33.8Very low123 Ų123143.7 Ų143.776%0.75580%0.798SS**  trans-84125.5-168.5-42.20000113
109S33.5Very low34Very low118 Ų118141.7 Ų141.783%0.82579%0.792SS**  trans-165.6130.3154.2-84.30000112
110Q39.1Very low34.1Very low192 Ų192145.1 Ų145.190%0.89780%0.795SS**  trans-84.6130.5165-68.1-177.3-75.800109.8
111M37.8Very low34.4Very low180 Ų180145.7 Ų145.789%0.88780%0.798SS**  trans-147.5129.7149.9-120.4103.175.900109.4
112S36.4Very low34.6Very low129 Ų129140.9 Ų140.990%0.90279%0.793SS**  trans-82.2117.2178.5-170.10000109.7
113Y32Very low34.8Very low222 Ų222139.2 Ų139.287%0.87179%0.791SS**  trans-103.5116.4175.8-145.8-89.2000109.7S115Y113-S115 PolarHBondContact O-N 3.33Å
114G33.6Very low35.2Very low61 Ų61138.6 Ų138.663%0.62979%0.789SS**  trans-68.6115.7179.600000111Y116G114-Y116 PolarHBondContact O-N 3.31Å
115S27.5Very low35.6Very low101 Ų101140 Ų14071%0.70679%0.785SS**  trans-73.494.3174.4-171.50000110Y113 M117Y113-S115 PolarHBondContact O-N 3.33Å; S115-M117 PolarHBondContact O-N 3.43Å
116Y34.7Very low36.1Very low225 Ų225144.1 Ų144.188%0.88279%0.79SS**  trans-58.1123.9162.2-110.2-96.5000108.9G114G114-Y116 PolarHBondContact O-N 3.31Å
117M46.7Very low36Very low156 Ų156143.9 Ų143.977%0.76879%0.786SS**  trans-86.8117.8164.3-68.5-63.8-178.100107.7S115 E119S115-M117 PolarHBondContact O-N 3.43Å; M117-E119 PolarHBondContact O-N 3.35Å; M117-E119 VanDerWaalsContact O-N 3.11Å
118D36Very low36.4Very low146 Ų146141.8 Ų141.878%0.78178%0.778SS**  trans-74.394169.2-172.1-111.4000107.9K120D118-K120 PolarHBondContact O-N 3.5Å
119E36Very low36.5Very low174 Ų174140.9 Ų140.981%0.81377%0.772SS**  trans-75.677.1179-163.5170.313400109.9M117 N121M117-E119 PolarHBondContact O-N 3.35Å; M117-E119 VanDerWaalsContact O-N 3.11Å; E119-N121 PolarHBondContact O-N 2.86Å; E119-N121 PolarHBondContact O-OD1 3.13Å
120K34.2Very low36.4Very low179 Ų179143.2 Ų143.278%0.77878%0.776SS**  trans-62.198.3178.4-179.5179.4179.4176.40110.3D118 A122D118-K120 PolarHBondContact O-N 3.5Å; K120-A122 PolarHBondContact O-N 2.97Å
121N36.2Very low36.4Very low154 Ų154140.9 Ų140.982%0.82477%0.765SS**  trans-42.597.3178.3-74.91000113.3E119E119-N121 PolarHBondContact O-N 2.86Å; E119-N121 PolarHBondContact O-OD1 3.13Å
122A39.6Very low36.6Very low82 Ų82142.2 Ų142.268%0.67876%0.76SS**PPolyproline II helixtrans-83.8137.1157.100000108K120K120-A122 PolarHBondContact O-N 2.97Å
123P37.6Very low37.1Very low121 Ų121144.8 Ų144.879%0.78675%0.75SS**PPolyproline II helixtrans-60.9134.8170.827-33.2000108.9
124P39.7Very low37.7Very low114 Ų114137 Ų13774%0.7473%0.725SS**PPolyproline II helixtrans-62.3144.9-178.525.6-34.1000110.6N126P124-N126 PolarHBondContact O-N 2.93Å
125P37.5Very low38.8Very low110 Ų110141 Ų14171%0.71473%0.731SS**PPolyproline II helixtrans-59.7134.8173.426.6-34000109.4M127P125-M127 VanDerWaalsContact C-N 3.32Å; P125-M127 PolarHBondContact O-N 2.63Å
126N40.3Very low40.5Very low155 Ų155138 Ų13883%0.82971%0.708SS**  trans-75.478.8-166.4-159.86.9000111.8P124 T128P124-N126 PolarHBondContact O-N 2.93Å; N126-T128 PolarHBondContact O-N 2.71Å
127M27.5Very low42.2Very low145 Ų145129.2 Ų129.271%0.71468%0.678SS**  trans-82.294179.3-78.3-169.663.100111.6P125 T129P125-M127 VanDerWaalsContact C-N 3.32Å; P125-M127 PolarHBondContact O-N 2.63Å; M127-T129 HydrophobicContact CB-CG2 4.46Å; M127-T129 HydrophobicContact CE-CG2 3.78Å; M127-T129 PolarHBondContact O-N 3.46Å; M127-T129 VanDerWaalsContact O-N 3.09Å
128T39.9Very low43.2Very low91 Ų91125.6 Ų125.656%0.55867%0.673SS**  trans-7494.5165.658.30000109.7N126 E131N126-T128 PolarHBondContact O-N 2.71Å; T128-E131 VanDerWaalsContact CB-OE1 3.23Å; T128-E131 WeakPolarHBondContact CB-OE1 3.36Å; T128-E131 PolarHBondContact OG1-OE1 2.83Å
129T40Very low45.4Very low104 Ų104120.8 Ų120.864%0.63865%0.648SS**  trans-127.822.4174.966.60000113.7M127 E131M127-T129 HydrophobicContact CB-CG2 4.46Å; M127-T129 HydrophobicContact CE-CG2 3.78Å; M127-T129 PolarHBondContact O-N 3.46Å; M127-T129 VanDerWaalsContact O-N 3.09Å; T129-E131 PolarHBondContact O-N 3.32Å
130N31.9Very low47.9Very low167 Ų167112.5 Ų112.589%0.89361%0.609SS**  trans-8926.4163.5-82-26.2000111.7R132N130-R132 PolarHBondContact O-N 3.21Å; N130-R132 VanDerWaalsContact O-N 3.09Å
131E39.2Very low50.5Low142 Ų142106 Ų10666%0.66459%0.586SS**SBendtrans-84.792.1-172.9-62.1-168.7-15100110.7T128 T129T128-E131 VanDerWaalsContact CB-OE1 3.23Å; T128-E131 WeakPolarHBondContact CB-OE1 3.36Å; T128-E131 PolarHBondContact OG1-OE1 2.83Å; T129-E131 PolarHBondContact O-N 3.32Å
132R43.2Very low52.9Low209 Ų209104.1 Ų104.179%0.78958%0.575SS**SBendtrans66.259.4164.9-158.6-177.5-70.2-94.62116.1N130N130-R132 PolarHBondContact O-N 3.21Å; N130-R132 VanDerWaalsContact O-N 3.09Å
133R45.3Very low55.4Low183 Ų183100.5 Ų100.569%0.69154%0.544SS*.  trans-109119146.7-76.3-173177171.71.5109.5I135R133-I135 PolarHBondContact O-N 3.25Å
134V44.8Very low57.8Low59 Ų5996.8 Ų96.836%0.35852%0.521SS..  trans-71.5114.3173.8168.20000108.3V136 Q150V134-V136 HydrophobicContact CG1-CG1 3.74Å; V134-Q150 HydrophobicContact CB-CB 4.44Å; V134-Q150 HydrophobicContact CG1-CB 3.65Å; V134-Q150 HydrophobicContact CG2-CB 3.91Å; V134-Q150 HydrophobicContact CG2-CG 4.36Å
135I56.7Low60.3Low144 Ų14495.8 Ų95.874%0.73851%0.506SS*.  trans-103.382.6174-53.2177.8000107.5R133R133-I135 PolarHBondContact O-N 3.25Å
136V64.5Low62.6Low39 Ų3995.6 Ų95.624%0.23650%0.499CS..  trans-79148.5166.3-70.90000110.3V134 W143 H147V134-V136 HydrophobicContact CG1-CG1 3.74Å; V136-W143 HydrophobicContact CB-CZ2 4.05Å; V136-W143 HydrophobicContact CG2-CZ2 3.71Å; V136-H147 HydrophobicContact CG1-CB 3.8Å; V136-H147 WeakPolarHBondContact CG1-O 3.25Å
137P69.1Low65Low39 Ų3990.6 Ų90.625%0.25347%0.471SS..  trans-53145.4170.6-26.933.4000112.5D139 L142 W143 H147P137-D139 PolarHBondContact O-N 3.03Å; P137-L142 HydrophobicContact CB-CB 4.04Å; P137-L142 HydrophobicContact CG-CB 4.43Å; P137-W143 PolarHBondContact O-NE1 3.44Å; P137-H147 WeakPolarHBondContact CD-ND1 3.41Å
138A68.7Low68Low80 Ų8083.7 Ų83.766%0.66144%0.437SS*.SBendtrans-66.1-23.8-177.200000113.9
139D82.1Confident70.3Confident46 Ų4685.2 Ų85.225%0.24643%0.432CS..SBendtrans-99.4119.6168.8174.124.1000110.4P137 S141 L142P137-D139 PolarHBondContact O-N 3.03Å; D139-S141 PolarHBondContact O-N 2.98Å; D139-S141 PolarHBondContact OD1-N 2.93Å; D139-S141 WeakPolarHBondContact OD2-CB 3.47Å; D139-S141 PolarHBondContact OD2-OG 3.5Å; D139-L142 HydrophobicContact CB-CD1 4.22Å; D139-L142 HydrophobicContact CB-CG 4.21Å; D139-L142 PolarHBondContact O-N 3.29Å; D139-L142 VanDerWaalsContact O-N 3.1Å
140P87.5Confident72.6Confident0 Ų083.5 Ų83.50%042%0.417CS..G310 helixtrans-56-24.9173.1-27.236.9000115.2L142 W143 G174 L201 L204 R205P140-L142 PolarHBondContact O-N 3.44Å; P140-L142 VanDerWaalsContact O-N 3.16Å; P140-W143 HydrophobicContact CB-CD2 4.2Å; P140-W143 HydrophobicContact CB-CE3 4.39Å; P140-W143 HydrophobicContact CB-CH2 4.43Å; P140-W143 HydrophobicContact CB-CZ2 4.23Å; P140-W143 HydrophobicContact CB-CZ3 4.49Å; P140-W143 HydrophobicContact CG-CH2 4.38Å; P140-W143 HydrophobicContact CG-CZ2 4.05Å; P140-W143 PolarHBondContact O-N 2.85Å; P140-G174 CarbonylContact O-C 3.46Å; P140-G174 WeakPolarHBondContact O-CA 3.43Å; P140-L201 HydrophobicContact CB-CD1 3.6Å; P140-L201 HydrophobicContact CG-CD1 3.96Å; P140-L204 HydrophobicContact CG-CB 3.59Å; P140-L204 HydrophobicContact CG-CD1 3.97Å; P140-L204 HydrophobicContact CG-CG 4.48Å; P140-R205 HydrophobicContact CG-CG 4.2Å
141S88.9Confident75.4Confident42 Ų4275.8 Ų75.829%0.29438%0.375SS..G310 helixtrans-67-14.2177.397.80000113.9D139 K175D139-S141 PolarHBondContact O-N 2.98Å; D139-S141 PolarHBondContact OD1-N 2.93Å; D139-S141 WeakPolarHBondContact OD2-CB 3.47Å; D139-S141 PolarHBondContact OD2-OG 3.5Å; S141-K175 WeakPolarHBondContact O-CE 3.49Å; S141-K175 VanDerWaalsContact O-CG 3.23Å; S141-K175 WeakPolarHBondContact O-CG 3.46Å
142L87.1Confident77.8Confident114 Ų11469 Ų6960%0.59734%0.344SS*.G310 helixtrans-99.75.5179.2-55.9-179.3000113.5P137 D139 P140P137-L142 HydrophobicContact CB-CB 4.04Å; P137-L142 HydrophobicContact CG-CB 4.43Å; D139-L142 HydrophobicContact CB-CD1 4.22Å; D139-L142 HydrophobicContact CB-CG 4.21Å; D139-L142 PolarHBondContact O-N 3.29Å; D139-L142 VanDerWaalsContact O-N 3.1Å; P140-L142 PolarHBondContact O-N 3.44Å; P140-L142 VanDerWaalsContact O-N 3.16Å
143W91.1Very high80Confident7 Ų762.6 Ų62.63%0.02732%0.323CS..  trans-74.5138.2-179.2-66.73.3000112.2V136 P137 P140 H147 V148 W151 G174 L177 L201 L204V136-W143 HydrophobicContact CB-CZ2 4.05Å; V136-W143 HydrophobicContact CG2-CZ2 3.71Å; P137-W143 PolarHBondContact O-NE1 3.44Å; P140-W143 HydrophobicContact CB-CD2 4.2Å; P140-W143 HydrophobicContact CB-CE3 4.39Å; P140-W143 HydrophobicContact CB-CH2 4.43Å; P140-W143 HydrophobicContact CB-CZ2 4.23Å; P140-W143 HydrophobicContact CB-CZ3 4.49Å; P140-W143 HydrophobicContact CG-CH2 4.38Å; P140-W143 HydrophobicContact CG-CZ2 4.05Å; P140-W143 PolarHBondContact O-N 2.85Å; W143-H147 HydrophobicContact CB-CB 3.66Å; W143-H147 HydrophobicContact CG-CB 3.88Å; W143-V148 HydrophobicContact CB-CG2 4.1Å; W143-V148 HydrophobicContact CE3-CG2 4.14Å; W143-W151 HydrophobicContact CE3-CB 4.44Å; W143-W151 HydrophobicContact CH2-CB 3.88Å; W143-W151 AromaticContact CH2-CD1 3.67Å; W143-W151 AromaticContact CH2-CD2 3.8Å; W143-W151 HydrophobicContact CH2-CD2 3.8Å; W143-W151 HydrophobicContact CH2-CE3 4.49Å; W143-W151 AromaticContact CH2-CG 3.48Å; W143-W151 HydrophobicContact CH2-CG 3.48Å; W143-W151 VanDerWaalsContact CH2-CG 3.48Å; W143-W151 HydrophobicContact CZ3-CB 3.75Å; W143-W151 AromaticContact CZ3-CD2 3.51Å; W143-W151 HydrophobicContact CZ3-CD2 3.51Å; W143-W151 AromaticContact CZ3-CE3 3.76Å; W143-W151 HydrophobicContact CZ3-CE3 3.76Å; W143-W151 AromaticContact CZ3-CG 3.5Å; W143-W151 HydrophobicContact CZ3-CG 3.5Å; W143-G174 PolarHBondContact O-N 3.39Å; W143-L177 HydrophobicContact CE3-CD2 3.99Å; W143-L177 HydrophobicContact CZ3-CD2 3.94Å; W143-L201 HydrophobicContact CZ3-CD1 4.48Å; W143-L204 HydrophobicContact CH2-CD1 3.52Å; W143-L204 HydrophobicContact CZ2-CD1 3.59Å
144S89.8Confident82.1Confident42 Ų4257.7 Ų57.729%0.29430%0.304SS..  trans-83.2172.5164.663.70000110D146 H147 V148S144-D146 PolarHBondContact O-N 3.32Å; S144-D146 PolarHBondContact OG-N 3.28Å; S144-H147 PolarHBondContact N-ND1 2.86Å; S144-H147 WeakPolarHBondContact O-CB 3.47Å; S144-H147 PolarHBondContact O-N 2.9Å; S144-H147 PolarHBondContact OG-N 3.04Å; S144-H147 PolarHBondContact OG-ND1 3.23Å; S144-V148 WeakPolarHBondContact O-CG2 3.44Å; S144-V148 PolarHBondContact O-N 3.47Å
145Q90.7Very high84.2Confident94 Ų9454.9 Ų54.944%0.43929%0.287SS..Hα-helixtrans-54.4-38.9170.9-71.5163.7-15.800111.8H147 V148 R149 N171 D173Q145-H147 PolarHBondContact O-N 2.86Å; Q145-V148 PolarHBondContact O-N 3.08Å; Q145-R149 WeakPolarHBondContact O-CB 3.45Å; Q145-R149 PolarHBondContact O-N 3.05Å; Q145-N171 VanDerWaalsContact NE2-C 3.34Å; Q145-N171 PolarHBondContact NE2-O 2.87Å; Q145-D173 HydrophobicContact CG-CB 4.44Å
146D87Confident85.7Confident106 Ų10650.1 Ų50.157%0.56726%0.263SS*.Hα-helixtrans-66.5-35.3174.6-50.2-84.9000113.4S144 Q150S144-D146 PolarHBondContact O-N 3.32Å; S144-D146 PolarHBondContact OG-N 3.28Å; D146-Q150 WeakPolarHBondContact O-CB 3.23Å; D146-Q150 VanDerWaalsContact O-CG 3.23Å; D146-Q150 WeakPolarHBondContact O-CG 3.25Å; D146-Q150 PolarHBondContact O-N 3.3Å; D146-Q150 PolarHBondContact O-NE2 3.39Å
147H89.6Confident86.8Confident50 Ų5056.6 Ų56.623%0.23129%0.288CS..Hα-helixtrans-69.9-43174.8-69143.7000111V136 P137 W143 S144 Q145 Q150 W151V136-H147 HydrophobicContact CG1-CB 3.8Å; V136-H147 WeakPolarHBondContact CG1-O 3.25Å; P137-H147 WeakPolarHBondContact CD-ND1 3.41Å; W143-H147 HydrophobicContact CB-CB 3.66Å; W143-H147 HydrophobicContact CG-CB 3.88Å; S144-H147 PolarHBondContact N-ND1 2.86Å; S144-H147 WeakPolarHBondContact O-CB 3.47Å; S144-H147 PolarHBondContact O-N 2.9Å; S144-H147 PolarHBondContact OG-N 3.04Å; S144-H147 PolarHBondContact OG-ND1 3.23Å; Q145-H147 PolarHBondContact O-N 2.86Å; H147-Q150 PolarHBondContact O-N 2.66Å; H147-W151 WeakPolarHBondContact O-CB 3.38Å; H147-W151 PolarHBondContact O-N 2.84Å
148V91Very high87.6Confident0 Ų059.6 Ų59.60%030%0.299CS..Hα-helixtrans-58.8-48.4172.8174.30000110.4W143 S144 Q145 Q150 W151 L152 T172 L177W143-V148 HydrophobicContact CB-CG2 4.1Å; W143-V148 HydrophobicContact CE3-CG2 4.14Å; S144-V148 WeakPolarHBondContact O-CG2 3.44Å; S144-V148 PolarHBondContact O-N 3.47Å; Q145-V148 PolarHBondContact O-N 3.08Å; V148-Q150 PolarHBondContact O-N 2.83Å; V148-W151 PolarHBondContact O-N 3.11Å; V148-L152 WeakPolarHBondContact O-CB 3.25Å; V148-L152 PolarHBondContact O-N 2.88Å; V148-T172 WeakPolarHBondContact CG2-O 3.47Å; V148-L177 HydrophobicContact CG1-CD1 4.45Å; V148-L177 HydrophobicContact CG1-CD2 4.26Å; V148-L177 HydrophobicContact CG2-CD2 4.13Å
149R89.3Confident88.5Confident123 Ų12360.4 Ų60.446%0.46429%0.285SS..Hα-helixtrans-58-49.5177-174.8-165.4166.682.115112.1Q145 W151 L152 E153Q145-R149 WeakPolarHBondContact O-CB 3.45Å; Q145-R149 PolarHBondContact O-N 3.05Å; R149-W151 VanDerWaalsContact C-N 3.35Å; R149-W151 PolarHBondContact O-N 2.94Å; R149-L152 VanDerWaalsContact O-CB 3.3Å; R149-L152 WeakPolarHBondContact O-CB 3.38Å; R149-L152 PolarHBondContact O-N 2.91Å; R149-L152 VanDerWaalsContact O-N 3.14Å; R149-E153 IonicContact CZ-OE1 2.63Å; R149-E153 IonicContact NE-OE1 2.71Å; R149-E153 PolarHBondContact NE-OE1 3.3Å; R149-E153 IonicContact NH2-OE1 3.16Å; R149-E153 PolarHBondContact NH2-OE1 3.27Å; R149-E153 PolarHBondContact O-N 3.45Å
150Q86.9Confident88.7Confident67 Ų6760.4 Ų60.431%0.31330%0.296SS..Hα-helixtrans-65.3-37.4-178.5-76.5171.38900112.5V134 D146 H147 V148 L152 W154V134-Q150 HydrophobicContact CB-CB 4.44Å; V134-Q150 HydrophobicContact CG1-CB 3.65Å; V134-Q150 HydrophobicContact CG2-CB 3.91Å; V134-Q150 HydrophobicContact CG2-CG 4.36Å; D146-Q150 WeakPolarHBondContact O-CB 3.23Å; D146-Q150 VanDerWaalsContact O-CG 3.23Å; D146-Q150 WeakPolarHBondContact O-CG 3.25Å; D146-Q150 PolarHBondContact O-N 3.3Å; D146-Q150 PolarHBondContact O-NE2 3.39Å; H147-Q150 PolarHBondContact O-N 2.66Å; V148-Q150 PolarHBondContact O-N 2.83Å; Q150-L152 VanDerWaalsContact C-N 3.33Å; Q150-W154 WeakPolarHBondContact O-CB 3.45Å; Q150-W154 PolarHBondContact O-N 2.77Å
151W90.1Very high88.7Confident6 Ų660.7 Ų60.72%0.02330%0.298CS..Hα-helixtrans-62.8-40.4171169.468.8000111.6W143 H147 V148 R149 W154 A155 L177 L197 H200W143-W151 HydrophobicContact CE3-CB 4.44Å; W143-W151 HydrophobicContact CH2-CB 3.88Å; W143-W151 AromaticContact CH2-CD1 3.67Å; W143-W151 AromaticContact CH2-CD2 3.8Å; W143-W151 HydrophobicContact CH2-CD2 3.8Å; W143-W151 HydrophobicContact CH2-CE3 4.49Å; W143-W151 AromaticContact CH2-CG 3.48Å; W143-W151 HydrophobicContact CH2-CG 3.48Å; W143-W151 VanDerWaalsContact CH2-CG 3.48Å; W143-W151 HydrophobicContact CZ3-CB 3.75Å; W143-W151 AromaticContact CZ3-CD2 3.51Å; W143-W151 HydrophobicContact CZ3-CD2 3.51Å; W143-W151 AromaticContact CZ3-CE3 3.76Å; W143-W151 HydrophobicContact CZ3-CE3 3.76Å; W143-W151 AromaticContact CZ3-CG 3.5Å; W143-W151 HydrophobicContact CZ3-CG 3.5Å; H147-W151 WeakPolarHBondContact O-CB 3.38Å; H147-W151 PolarHBondContact O-N 2.84Å; V148-W151 PolarHBondContact O-N 3.11Å; R149-W151 VanDerWaalsContact C-N 3.35Å; R149-W151 PolarHBondContact O-N 2.94Å; W151-W154 AromaticContact CD1-CE3 3.74Å; W151-W154 AromaticContact CD1-CZ3 3.96Å; W151-W154 AromaticContact NE1-CZ3 3.84Å; W151-W154 PolarHBondContact O-N 3.09Å; W151-A155 WeakPolarHBondContact O-CB 3.23Å; W151-A155 PolarHBondContact O-N 2.82Å; W151-L177 HydrophobicContact CE3-CD2 4.06Å; W151-L177 HydrophobicContact CH2-CD2 4.42Å; W151-L177 HydrophobicContact CZ3-CD1 4.29Å; W151-L177 HydrophobicContact CZ3-CD2 3.73Å; W151-L197 HydrophobicContact CH2-CB 3.98Å; W151-L197 HydrophobicContact CH2-CD2 3.63Å; W151-L197 HydrophobicContact CH2-CG 4.41Å; W151-L197 HydrophobicContact CZ2-CD2 3.98Å; W151-L197 HydrophobicContact CZ3-CD2 4.1Å; W151-H200 AromaticContact CE2-ND1 3.88Å; W151-H200 HydrophobicContact CZ2-CB 4.49Å; W151-H200 AromaticContact NE1-CE1 3.58Å; W151-H200 AromaticContact NE1-ND1 3.1Å; W151-H200 PolarHBondContact NE1-ND1 3.38Å
152L90.8Very high88.3Confident0 Ų065.3 Ų65.30%032%0.319CS..Hα-helixtrans-63.1-49.2176.5-137.168.6000112.2V148 R149 Q150 W154 A155 I156 M164 T166 F169 L197V148-L152 WeakPolarHBondContact O-CB 3.25Å; V148-L152 PolarHBondContact O-N 2.88Å; R149-L152 VanDerWaalsContact O-CB 3.3Å; R149-L152 WeakPolarHBondContact O-CB 3.38Å; R149-L152 PolarHBondContact O-N 2.91Å; R149-L152 VanDerWaalsContact O-N 3.14Å; Q150-L152 VanDerWaalsContact C-N 3.33Å; L152-W154 VanDerWaalsContact C-N 3.26Å; L152-W154 PolarHBondContact O-N 3.09Å; L152-A155 PolarHBondContact O-N 3.37Å; L152-I156 WeakPolarHBondContact O-CB 3.14Å; L152-I156 WeakPolarHBondContact O-CD1 3.23Å; L152-I156 VanDerWaalsContact O-CG1 3.24Å; L152-I156 WeakPolarHBondContact O-CG1 3.47Å; L152-I156 PolarHBondContact O-N 2.96Å; L152-M164 HydrophobicContact CD1-CE 3.47Å; L152-M164 VanDerWaalsContact CD1-CE 3.47Å; L152-M164 HydrophobicContact CD2-CE 3.92Å; L152-M164 HydrophobicContact CG-CE 3.6Å; L152-M164 HydrophobicContact CG-SD 4.33Å; L152-T166 HydrophobicContact CD2-CG2 4.15Å; L152-F169 HydrophobicContact CD1-CD1 4.48Å; L152-F169 HydrophobicContact CD1-CG 4.41Å; L152-F169 HydrophobicContact CD2-CB 3.69Å; L152-F169 HydrophobicContact CD2-CD2 3.66Å; L152-F169 HydrophobicContact CD2-CE2 4.45Å; L152-F169 HydrophobicContact CD2-CG 3.71Å; L152-L197 HydrophobicContact CD1-CD2 4.12Å
153E88.5Confident87.8Confident73 Ų7368.5 Ų68.534%0.34133%0.33SS..Hα-helixtrans-58-39175.5-75.4-174-162.500111.9R149 K157R149-E153 IonicContact CZ-OE1 2.63Å; R149-E153 IonicContact NE-OE1 2.71Å; R149-E153 PolarHBondContact NE-OE1 3.3Å; R149-E153 IonicContact NH2-OE1 3.16Å; R149-E153 PolarHBondContact NH2-OE1 3.27Å; R149-E153 PolarHBondContact O-N 3.45Å; E153-K157 PolarHBondContact O-N 3.27Å
154W89.1Confident87.3Confident80 Ų8069.2 Ų69.230%0.30333%0.334SS..Hα-helixtrans-67.5-50.3174.1169.372.2000111.9Q150 W151 L152 I156 K157 E158 Y159 H200Q150-W154 WeakPolarHBondContact O-CB 3.45Å; Q150-W154 PolarHBondContact O-N 2.77Å; W151-W154 AromaticContact CD1-CE3 3.74Å; W151-W154 AromaticContact CD1-CZ3 3.96Å; W151-W154 AromaticContact NE1-CZ3 3.84Å; W151-W154 PolarHBondContact O-N 3.09Å; L152-W154 VanDerWaalsContact C-N 3.26Å; L152-W154 PolarHBondContact O-N 3.09Å; W154-I156 VanDerWaalsContact C-N 3.33Å; W154-I156 PolarHBondContact O-N 3.17Å; W154-K157 WeakPolarHBondContact O-CB 3.3Å; W154-K157 PolarHBondContact O-N 3.27Å; W154-E158 HydrophobicContact CD2-CB 4.43Å; W154-E158 HydrophobicContact CZ2-CB 3.96Å; W154-E158 HydrophobicContact CZ2-CG 3.67Å; W154-E158 PolarHBondContact NE1-OE2 2.94Å; W154-E158 WeakPolarHBondContact O-CB 3.45Å; W154-E158 PolarHBondContact O-N 3.49Å; W154-Y159 AromaticContact CH2-CE2 3.88Å; W154-Y159 HydrophobicContact CH2-CE2 3.88Å; W154-Y159 HydrophobicContact CZ3-CE2 4.03Å; W154-H200 AromaticContact CH2-CD2 3.94Å; W154-H200 AromaticContact CH2-CE1 3.84Å; W154-H200 AromaticContact CH2-NE2 3.41Å; W154-H200 WeakPolarHBondContact CH2-NE2 3.42Å; W154-H200 AromaticContact CZ3-CE1 3.53Å; W154-H200 AromaticContact CZ3-NE2 3.58Å
155A89.2Confident86.8Confident1 Ų170.9 Ų70.91%0.00834%0.34CS..Hα-helixtrans-61.7-39.4-177.100000112.2W151 L152 K157 E158 Y159 L161 L197W151-A155 WeakPolarHBondContact O-CB 3.23Å; W151-A155 PolarHBondContact O-N 2.82Å; L152-A155 PolarHBondContact O-N 3.37Å; A155-K157 VanDerWaalsContact C-N 3.3Å; A155-K157 PolarHBondContact O-N 3.14Å; A155-E158 PolarHBondContact O-N 2.9Å; A155-Y159 HydrophobicContact CB-CD2 4.18Å; A155-Y159 WeakPolarHBondContact O-CB 3.46Å; A155-Y159 WeakPolarHBondContact O-CD2 3.35Å; A155-Y159 PolarHBondContact O-N 3.33Å; A155-L161 HydrophobicContact CB-CD1 4.5Å; A155-L197 HydrophobicContact CB-CD2 4.05Å
156I89.4Confident86.4Confident43 Ų4368.3 Ų68.322%0.22133%0.33CS..Hα-helixtrans-57.3-44.9172.6-70.6164.6000110.9L152 W154 G160 L161 M164 T166L152-I156 WeakPolarHBondContact O-CB 3.14Å; L152-I156 WeakPolarHBondContact O-CD1 3.23Å; L152-I156 VanDerWaalsContact O-CG1 3.24Å; L152-I156 WeakPolarHBondContact O-CG1 3.47Å; L152-I156 PolarHBondContact O-N 2.96Å; W154-I156 VanDerWaalsContact C-N 3.33Å; W154-I156 PolarHBondContact O-N 3.17Å; I156-G160 CarbonylContact O-C 3.54Å; I156-G160 VanDerWaalsContact O-CA 3.27Å; I156-G160 WeakPolarHBondContact O-CA 3.28Å; I156-G160 PolarHBondContact O-N 3.49Å; I156-G160 VanDerWaalsContact O-N 3.09Å; I156-L161 HydrophobicContact CG1-CB 4.34Å; I156-L161 PolarHBondContact O-N 3.4Å; I156-L161 VanDerWaalsContact O-N 3.07Å; I156-M164 HydrophobicContact CD1-CB 3.95Å; I156-M164 HydrophobicContact CD1-CG 3.89Å; I156-M164 HydrophobicContact CD1-SD 3.82Å; I156-M164 HydrophobicContact CG1-CB 3.98Å; I156-M164 HydrophobicContact CG1-CG 4.07Å; I156-M164 HydrophobicContact CG1-SD 3.53Å; I156-M164 VanDerWaalsContact CG1-SD 3.53Å; I156-T166 HydrophobicContact CD1-CG2 3.61Å
157K86.6Confident86.2Confident175 Ų17565.7 Ų65.776%0.76132%0.324SS*.Hα-helixtrans-73.6-41.1-178.7-171.5-168.1171.9-161.70113E153 W154 A155E153-K157 PolarHBondContact O-N 3.27Å; W154-K157 WeakPolarHBondContact O-CB 3.3Å; W154-K157 PolarHBondContact O-N 3.27Å; A155-K157 VanDerWaalsContact C-N 3.3Å; A155-K157 PolarHBondContact O-N 3.14Å
158E87.1Confident86Confident103 Ų10368.3 Ų68.348%0.48134%0.337SS..Hα-helixtrans-76.8-42.9-173.5-158.875.4-134.200111.8W154 A155W154-E158 HydrophobicContact CD2-CB 4.43Å; W154-E158 HydrophobicContact CZ2-CB 3.96Å; W154-E158 HydrophobicContact CZ2-CG 3.67Å; W154-E158 PolarHBondContact NE1-OE2 2.94Å; W154-E158 WeakPolarHBondContact O-CB 3.45Å; W154-E158 PolarHBondContact O-N 3.49Å; A155-E158 PolarHBondContact O-N 2.9Å
159Y86.9Confident85.8Confident96 Ų9668.6 Ų68.638%0.37634%0.338SS..Hα-helixtrans-96-1.9-179.5-58.4-67.5000113.7W154 A155 V196 H200W154-Y159 AromaticContact CH2-CE2 3.88Å; W154-Y159 HydrophobicContact CH2-CE2 3.88Å; W154-Y159 HydrophobicContact CZ3-CE2 4.03Å; A155-Y159 HydrophobicContact CB-CD2 4.18Å; A155-Y159 WeakPolarHBondContact O-CB 3.46Å; A155-Y159 WeakPolarHBondContact O-CD2 3.35Å; A155-Y159 PolarHBondContact O-N 3.33Å; Y159-V196 HydrophobicContact CD1-CG1 4.05Å; Y159-V196 HydrophobicContact CD2-CG1 3.65Å; Y159-V196 HydrophobicContact CE2-CG1 4.18Å; Y159-V196 HydrophobicContact CG-CG1 3.58Å; Y159-H200 PolarHBondContact OH-CD2 3.43Å
160G86.3Confident85.5Confident47 Ų4769.2 Ų69.249%0.48535%0.347SS..THydrogen-bonded Turntrans66.335.3179.200000113.7I156 L162I156-G160 CarbonylContact O-C 3.54Å; I156-G160 VanDerWaalsContact O-CA 3.27Å; I156-G160 WeakPolarHBondContact O-CA 3.28Å; I156-G160 PolarHBondContact O-N 3.49Å; I156-G160 VanDerWaalsContact O-N 3.09Å; G160-L162 PolarHBondContact O-N 2.81Å
161L87.4Confident85.5Confident6 Ų672 Ų723%0.03136%0.364CS..  trans-68.5105.8-173.9-52.2-178.5000110.9A155 I156 M164 Y192 V196 L197A155-L161 HydrophobicContact CB-CD1 4.5Å; I156-L161 HydrophobicContact CG1-CB 4.34Å; I156-L161 PolarHBondContact O-N 3.4Å; I156-L161 VanDerWaalsContact O-N 3.07Å; L161-M164 HydrophobicContact CD1-SD 3.94Å; L161-Y192 HydrophobicContact CD2-CD1 4.47Å; L161-Y192 HydrophobicContact CD2-CE1 4.06Å; L161-V196 HydrophobicContact CD2-CB 4.22Å; L161-V196 HydrophobicContact CD2-CG1 4.16Å; L161-V196 HydrophobicContact CD2-CG2 4.32Å; L161-L197 HydrophobicContact CD1-CD2 4.08Å; L161-L197 HydrophobicContact CD1-CG 4.19Å
162L80.2Confident85.5Confident139 Ų13972.7 Ų72.773%0.72837%0.369SS*.THydrogen-bonded Turntrans-75.5156.2176-60.3178.6000111.3G160 M164 N193G160-L162 PolarHBondContact O-N 2.81Å; L162-M164 PolarHBondContact O-N 2.93Å; L162-M164 VanDerWaalsContact O-N 3.11Å; L162-N193 PolarHBondContact O-ND2 3.24Å
163E75.8Confident85.5Confident180 Ų18075 Ų7584%0.84138%0.381SS*.THydrogen-bonded Turntrans55.527.6173.2-54.7-171.6150.100115.2
164M80.9Confident85.6Confident23 Ų2371.6 Ų71.611%0.11337%0.365CS..  trans-90.3107.4-179.7-169.7166.8-169.900112.7L152 I156 L161 L162 T166 F169 L197L152-M164 HydrophobicContact CD1-CE 3.47Å; L152-M164 VanDerWaalsContact CD1-CE 3.47Å; L152-M164 HydrophobicContact CD2-CE 3.92Å; L152-M164 HydrophobicContact CG-CE 3.6Å; L152-M164 HydrophobicContact CG-SD 4.33Å; I156-M164 HydrophobicContact CD1-CB 3.95Å; I156-M164 HydrophobicContact CD1-CG 3.89Å; I156-M164 HydrophobicContact CD1-SD 3.82Å; I156-M164 HydrophobicContact CG1-CB 3.98Å; I156-M164 HydrophobicContact CG1-CG 4.07Å; I156-M164 HydrophobicContact CG1-SD 3.53Å; I156-M164 VanDerWaalsContact CG1-SD 3.53Å; L161-M164 HydrophobicContact CD1-SD 3.94Å; L162-M164 PolarHBondContact O-N 2.93Å; L162-M164 VanDerWaalsContact O-N 3.11Å; M164-T166 PolarHBondContact O-N 3.21Å; M164-F169 HydrophobicContact CE-CD2 4.24Å; M164-F169 HydrophobicContact CE-CE2 3.68Å; M164-F169 HydrophobicContact CE-CZ 4.07Å; M164-L197 HydrophobicContact CE-CD1 3.35Å; M164-L197 HydrophobicContact CE-CD2 4.18Å; M164-L197 HydrophobicContact CE-CG 4.39Å; M164-L197 HydrophobicContact SD-CD1 4.07Å
165D79.1Confident85.7Confident77 Ų7773.3 Ų73.341%0.41238%0.375SS..  trans-78.7108172.2-176.511.7000112A167 M168D165-A167 PolarHBondContact O-N 3.1Å; D165-A167 VanDerWaalsContact OD1-CB 3.25Å; D165-A167 WeakPolarHBondContact OD1-CB 3.33Å; D165-A167 PolarHBondContact OD1-N 3.18Å; D165-M168 HydrophobicContact CB-CG 4.2Å; D165-M168 PolarHBondContact O-N 3.06Å
166T82.6Confident85.8Confident39 Ų3977.7 Ų77.724%0.23940%0.395CS..G310 helixtrans-66.5-19.4175.964.20000114.1L152 I156 M164 M168 F169L152-T166 HydrophobicContact CD2-CG2 4.15Å; I156-T166 HydrophobicContact CD1-CG2 3.61Å; M164-T166 PolarHBondContact O-N 3.21Å; T166-M168 VanDerWaalsContact C-N 3.3Å; T166-M168 PolarHBondContact O-N 3.42Å; T166-F169 PolarHBondContact O-N 3.16Å
167A83.9Confident85.9Confident51 Ų5175.7 Ų75.742%0.42139%0.385SS..G310 helixtrans-67.5-31.4179.700000112.2D165 F169 Q170D165-A167 PolarHBondContact O-N 3.1Å; D165-A167 VanDerWaalsContact OD1-CB 3.25Å; D165-A167 WeakPolarHBondContact OD1-CB 3.33Å; D165-A167 PolarHBondContact OD1-N 3.18Å; A167-F169 PolarHBondContact O-N 2.99Å; A167-F169 VanDerWaalsContact O-N 3.08Å; A167-Q170 VanDerWaalsContact O-CB 3.24Å; A167-Q170 WeakPolarHBondContact O-CB 3.33Å; A167-Q170 PolarHBondContact O-N 3.09Å
168M84.5Confident86.1Confident106 Ų10668.8 Ų68.852%0.52236%0.358SS..G310 helixtrans-59.3-21.2176.2-65.8-6317700113.6D165 T166 L188D165-M168 HydrophobicContact CB-CG 4.2Å; D165-M168 PolarHBondContact O-N 3.06Å; T166-M168 VanDerWaalsContact C-N 3.3Å; T166-M168 PolarHBondContact O-N 3.42Å; M168-L188 HydrophobicContact CB-CB 4.25Å; M168-L188 HydrophobicContact CB-CD2 4.32Å
169F86.1Confident86.2Confident5 Ų570.5 Ų70.52%0.02236%0.364CS..G310 helixtrans-107.32.3-179.9-64.8-96.4000113.2L152 M164 T166 A167 N171 T172 L177 M180 F185 L188L152-F169 HydrophobicContact CD1-CD1 4.48Å; L152-F169 HydrophobicContact CD1-CG 4.41Å; L152-F169 HydrophobicContact CD2-CB 3.69Å; L152-F169 HydrophobicContact CD2-CD2 3.66Å; L152-F169 HydrophobicContact CD2-CE2 4.45Å; L152-F169 HydrophobicContact CD2-CG 3.71Å; M164-F169 HydrophobicContact CE-CD2 4.24Å; M164-F169 HydrophobicContact CE-CE2 3.68Å; M164-F169 HydrophobicContact CE-CZ 4.07Å; T166-F169 PolarHBondContact O-N 3.16Å; A167-F169 PolarHBondContact O-N 2.99Å; A167-F169 VanDerWaalsContact O-N 3.08Å; F169-N171 PolarHBondContact O-N 3.26Å; F169-N171 VanDerWaalsContact O-N 3.13Å; F169-T172 WeakPolarHBondContact O-CB 3.48Å; F169-T172 PolarHBondContact O-N 3.18Å; F169-L177 HydrophobicContact CD1-CD1 4.32Å; F169-L177 HydrophobicContact CE1-CD1 4.4Å; F169-M180 HydrophobicContact CE1-CE 4.24Å; F169-F185 HydrophobicContact CE1-CD1 4.13Å; F169-F185 AromaticContact CE1-CE1 3.89Å; F169-F185 HydrophobicContact CE1-CE1 3.89Å; F169-F185 HydrophobicContact CZ-CD1 4.23Å; F169-F185 HydrophobicContact CZ-CE1 4.38Å; F169-L188 HydrophobicContact CD1-CD1 4.12Å; F169-L188 HydrophobicContact CE1-CB 4.48Å; F169-L188 HydrophobicContact CE1-CD1 3.79Å; F169-L188 HydrophobicContact CE2-CB 3.86Å; F169-L188 HydrophobicContact CE2-CD1 4.24Å; F169-L188 HydrophobicContact CG-CD1 4.49Å; F169-L188 HydrophobicContact CZ-CB 3.72Å; F169-L188 HydrophobicContact CZ-CD1 3.86Å; F169-L188 HydrophobicContact CZ-CG 4.44Å
170Q84.2Confident86.4Confident137 Ų13767.3 Ų67.364%0.6435%0.353SS*.THydrogen-bonded Turntrans-54.3-37.3-172.5177.8178.7-15.200113.7A167A167-Q170 VanDerWaalsContact O-CB 3.24Å; A167-Q170 WeakPolarHBondContact O-CB 3.33Å; A167-Q170 PolarHBondContact O-N 3.09Å
171N86.9Confident86.6Confident125 Ų12567.3 Ų67.367%0.66835%0.346SS*.THydrogen-bonded Turntrans-97.4-0.7-176.5-65.2-12.1000113.2Q145 F169Q145-N171 VanDerWaalsContact NE2-C 3.34Å; Q145-N171 PolarHBondContact NE2-O 2.87Å; F169-N171 PolarHBondContact O-N 3.26Å; F169-N171 VanDerWaalsContact O-N 3.13Å
172T90.2Very high86.6Confident21 Ų2171 Ų7113%0.12936%0.361CS..  trans-85.2120.9-174.9-51.70000110.2V148 F169 E176 L177 M180V148-T172 WeakPolarHBondContact CG2-O 3.47Å; F169-T172 WeakPolarHBondContact O-CB 3.48Å; F169-T172 PolarHBondContact O-N 3.18Å; T172-E176 HydrophobicContact CG2-CB 4.2Å; T172-L177 HydrophobicContact CG2-CB 3.97Å; T172-L177 HydrophobicContact CG2-CD1 4.19Å; T172-M180 HydrophobicContact CG2-SD 4.24Å
173D90.9Very high87.2Confident49 Ų4969.7 Ų69.726%0.26236%0.355SS..  trans-90.3175.817085.7-5.7000111.4Q145 K175 E176 L177Q145-D173 HydrophobicContact CG-CB 4.44Å; D173-K175 PolarHBondContact O-N 3.15Å; D173-K175 WeakPolarHBondContact OD1-CA 3.33Å; D173-K175 WeakPolarHBondContact OD1-CB 3.24Å; D173-K175 PolarHBondContact OD1-N 3.11Å; D173-E176 PolarHBondContact O-N 3.5Å; D173-E176 PolarHBondContact OD1-N 3.19Å; D173-L177 VanDerWaalsContact O-CB 3.25Å; D173-L177 WeakPolarHBondContact O-CB 3.45Å; D173-L177 PolarHBondContact O-N 3.45Å
174G90.4Very high87.9Confident0 Ų063.2 Ų63.20%033%0.326CS..Hα-helixtrans-61.4-25.3179.500000115P140 W143 C178P140-G174 CarbonylContact O-C 3.46Å; P140-G174 WeakPolarHBondContact O-CA 3.43Å; W143-G174 PolarHBondContact O-N 3.39Å; G174-C178 VanDerWaalsContact O-CB 3.28Å; G174-C178 WeakPolarHBondContact O-CB 3.47Å; G174-C178 PolarHBondContact O-N 3.04Å; G174-C178 PolarHBondContact O-SG 3.26Å
175K90.8Very high88.3Confident117 Ų11762.1 Ų62.151%0.50932%0.321SS..Hα-helixtrans-82-42.2-177.8-62.6175.4-177.4170.20110.8S141 D173 K179S141-K175 WeakPolarHBondContact O-CE 3.49Å; S141-K175 VanDerWaalsContact O-CG 3.23Å; S141-K175 WeakPolarHBondContact O-CG 3.46Å; D173-K175 PolarHBondContact O-N 3.15Å; D173-K175 WeakPolarHBondContact OD1-CA 3.33Å; D173-K175 WeakPolarHBondContact OD1-CB 3.24Å; D173-K175 PolarHBondContact OD1-N 3.11Å; K175-K179 WeakPolarHBondContact O-CD 3.27Å; K175-K179 VanDerWaalsContact O-CG 3.25Å; K175-K179 WeakPolarHBondContact O-CG 3.38Å; K175-K179 PolarHBondContact O-N 2.56Å
176E90.9Very high88.9Confident93 Ų9361.4 Ų61.444%0.43532%0.317SS..Hα-helixtrans-69-40.8171.8-58.2-43.512500111.1T172 D173 C178 K179 M180T172-E176 HydrophobicContact CG2-CB 4.2Å; D173-E176 PolarHBondContact O-N 3.5Å; D173-E176 PolarHBondContact OD1-N 3.19Å; E176-C178 VanDerWaalsContact C-N 3.29Å; E176-C178 PolarHBondContact O-N 3.05Å; E176-K179 VanDerWaalsContact CD-NZ 3.35Å; E176-K179 PolarHBondContact O-N 3.27Å; E176-K179 IonicContact OE1-NZ 2.81Å; E176-K179 PolarHBondContact OE1-NZ 2.99Å; E176-K179 WeakPolarHBondContact OE2-CD 3.4Å; E176-K179 IonicContact OE2-NZ 2.83Å; E176-K179 PolarHBondContact OE2-NZ 2.81Å; E176-M180 WeakPolarHBondContact O-CG 3.36Å; E176-M180 PolarHBondContact O-N 3.19Å
177L91.4Very high89.2Confident0 Ų068.4 Ų68.40%034%0.339CS..Hα-helixtrans-57.3-41.3173.9-168.174.9000112.1W143 V148 W151 F169 T172 D173 K179 M180 F185 L201W143-L177 HydrophobicContact CE3-CD2 3.99Å; W143-L177 HydrophobicContact CZ3-CD2 3.94Å; V148-L177 HydrophobicContact CG1-CD1 4.45Å; V148-L177 HydrophobicContact CG1-CD2 4.26Å; V148-L177 HydrophobicContact CG2-CD2 4.13Å; W151-L177 HydrophobicContact CE3-CD2 4.06Å; W151-L177 HydrophobicContact CH2-CD2 4.42Å; W151-L177 HydrophobicContact CZ3-CD1 4.29Å; W151-L177 HydrophobicContact CZ3-CD2 3.73Å; F169-L177 HydrophobicContact CD1-CD1 4.32Å; F169-L177 HydrophobicContact CE1-CD1 4.4Å; T172-L177 HydrophobicContact CG2-CB 3.97Å; T172-L177 HydrophobicContact CG2-CD1 4.19Å; D173-L177 VanDerWaalsContact O-CB 3.25Å; D173-L177 WeakPolarHBondContact O-CB 3.45Å; D173-L177 PolarHBondContact O-N 3.45Å; L177-K179 VanDerWaalsContact C-N 3.29Å; L177-K179 PolarHBondContact O-N 3.32Å; L177-M180 HydrophobicContact CD1-SD 4.24Å; L177-F185 HydrophobicContact CD1-CE1 4.03Å; L177-F185 HydrophobicContact CD1-CZ 3.64Å; L177-F185 HydrophobicContact CG-CZ 4.28Å; L177-L201 HydrophobicContact CD2-CD1 3.94Å; L177-L201 HydrophobicContact CD2-CD2 4.4Å; L177-L201 HydrophobicContact CG-CD1 4.41Å; L177-L201 HydrophobicContact CG-CD2 4.02Å; L177-L201 WeakPolarHBondContact O-CD2 3.14Å
178C90.9Very high89.4Confident31 Ų3168.2 Ų68.221%0.20933%0.331CS..THydrogen-bonded Turntrans-71.4-15.9175.7-74.80000114.9G174 E176G174-C178 VanDerWaalsContact O-CB 3.28Å; G174-C178 WeakPolarHBondContact O-CB 3.47Å; G174-C178 PolarHBondContact O-N 3.04Å; G174-C178 PolarHBondContact O-SG 3.26Å; E176-C178 VanDerWaalsContact C-N 3.29Å; E176-C178 PolarHBondContact O-N 3.05Å
179K90.2Very high89.6Confident138 Ų13864 Ų6460%0.631%0.311SS*.THydrogen-bonded Turntrans-93.2-24.5176.4-70.6164.7-172.5173.60113K175 E176 L177 S181K175-K179 WeakPolarHBondContact O-CD 3.27Å; K175-K179 VanDerWaalsContact O-CG 3.25Å; K175-K179 WeakPolarHBondContact O-CG 3.38Å; K175-K179 PolarHBondContact O-N 2.56Å; E176-K179 VanDerWaalsContact CD-NZ 3.35Å; E176-K179 PolarHBondContact O-N 3.27Å; E176-K179 IonicContact OE1-NZ 2.81Å; E176-K179 PolarHBondContact OE1-NZ 2.99Å; E176-K179 WeakPolarHBondContact OE2-CD 3.4Å; E176-K179 IonicContact OE2-NZ 2.83Å; E176-K179 PolarHBondContact OE2-NZ 2.81Å; L177-K179 VanDerWaalsContact C-N 3.29Å; L177-K179 PolarHBondContact O-N 3.32Å; K179-S181 PolarHBondContact O-N 2.61Å
180M89.9Confident89.7Confident29 Ų2966.6 Ų66.614%0.14333%0.327CS..  trans-55.4124.5-178.2-79.4176.565.700111.4F169 T172 E176 L177 D184 F185 L188F169-M180 HydrophobicContact CE1-CE 4.24Å; T172-M180 HydrophobicContact CG2-SD 4.24Å; E176-M180 WeakPolarHBondContact O-CG 3.36Å; E176-M180 PolarHBondContact O-N 3.19Å; L177-M180 HydrophobicContact CD1-SD 4.24Å; M180-D184 HydrophobicContact CB-CB 3.93Å; M180-D184 HydrophobicContact CE-CB 3.94Å; M180-D184 HydrophobicContact CG-CB 3.97Å; M180-F185 HydrophobicContact CB-CD2 3.86Å; M180-F185 HydrophobicContact CB-CE2 3.55Å; M180-F185 HydrophobicContact CB-CZ 4.4Å; M180-F185 HydrophobicContact CE-CB 4.43Å; M180-F185 HydrophobicContact CE-CD1 4.01Å; M180-F185 HydrophobicContact CE-CD2 3.81Å; M180-F185 HydrophobicContact CE-CE1 4.19Å; M180-F185 HydrophobicContact CE-CE2 4Å; M180-F185 HydrophobicContact CE-CG 3.82Å; M180-F185 HydrophobicContact CE-CZ 4.19Å; M180-F185 HydrophobicContact SD-CE2 4.33Å; M180-F185 HydrophobicContact SD-CZ 4.36Å; M180-L188 HydrophobicContact CE-CD1 3.65Å; M180-L188 HydrophobicContact CE-CG 4.3Å; M180-L188 HydrophobicContact SD-CD1 4.45Å
181S90.4Very high90Very high48 Ų4865.9 Ų65.934%0.33633%0.325SS..  trans-71.5169.317068.70000111.2K179 D183 D184 F185K179-S181 PolarHBondContact O-N 2.61Å; S181-D183 PolarHBondContact O-N 3.07Å; S181-D183 PolarHBondContact OG-N 3.4Å; S181-D184 WeakPolarHBondContact CB-OD2 3.31Å; S181-D184 PolarHBondContact N-OD2 3.06Å; S181-D184 WeakPolarHBondContact O-CB 3.29Å; S181-D184 PolarHBondContact O-N 3.45Å; S181-D184 VanDerWaalsContact O-N 3.07Å; S181-D184 PolarHBondContact OG-N 3.02Å; S181-D184 PolarHBondContact OG-OD2 3.35Å; S181-F185 PolarHBondContact O-N 3.39Å
182K89.1Confident90.1Very high83 Ų8367 Ų6736%0.36132%0.321SS..Hα-helixtrans-56.2-40.5171.8-174.5175.2-179.5177.30111.1D184 F185 L186 E195 L198K182-D184 VanDerWaalsContact C-N 3.29Å; K182-D184 PolarHBondContact O-N 3.31Å; K182-F185 PolarHBondContact O-N 2.86Å; K182-L186 HydrophobicContact CG-CD1 4.18Å; K182-L186 HydrophobicContact CG-CG 4.47Å; K182-L186 VanDerWaalsContact O-CG 3.29Å; K182-L186 WeakPolarHBondContact O-CG 3.29Å; K182-L186 PolarHBondContact O-N 2.82Å; K182-E195 WeakPolarHBondContact CE-OE1 3.46Å; K182-E195 IonicContact NZ-OE1 3.5Å; K182-E195 PolarHBondContact NZ-OE1 3.12Å; K182-L198 HydrophobicContact CB-CD2 3.95Å; K182-L198 HydrophobicContact CG-CD2 4.28Å
183D90.9Very high90Very high111 Ų11166.1 Ų66.159%0.59432%0.316SS*.Hα-helixtrans-65.4-29.8177.7-56.6-77.2000112.8S181 L186 R187S181-D183 PolarHBondContact O-N 3.07Å; S181-D183 PolarHBondContact OG-N 3.4Å; D183-L186 PolarHBondContact O-N 2.94Å; D183-R187 WeakPolarHBondContact O-CG 3.43Å; D183-R187 PolarHBondContact O-N 3.24Å; D183-R187 VanDerWaalsContact O-N 3.15Å
184D91Very high90.1Very high44 Ų4463.8 Ų63.824%0.23530%0.303CS..Hα-helixtrans-70.6-42.1173.5-59.6-50.9000111.8M180 S181 K182 L186 R187 L188M180-D184 HydrophobicContact CB-CB 3.93Å; M180-D184 HydrophobicContact CE-CB 3.94Å; M180-D184 HydrophobicContact CG-CB 3.97Å; S181-D184 WeakPolarHBondContact CB-OD2 3.31Å; S181-D184 PolarHBondContact N-OD2 3.06Å; S181-D184 WeakPolarHBondContact O-CB 3.29Å; S181-D184 PolarHBondContact O-N 3.45Å; S181-D184 VanDerWaalsContact O-N 3.07Å; S181-D184 PolarHBondContact OG-N 3.02Å; S181-D184 PolarHBondContact OG-OD2 3.35Å; K182-D184 VanDerWaalsContact C-N 3.29Å; K182-D184 PolarHBondContact O-N 3.31Å; D184-L186 VanDerWaalsContact C-N 3.33Å; D184-L186 PolarHBondContact O-N 3.47Å; D184-R187 PolarHBondContact O-N 3.34Å; D184-R187 IonicContact OD1-CZ 3.3Å; D184-R187 IonicContact OD1-NE 2.66Å; D184-R187 IonicContact OD1-NH2 3.56Å; D184-R187 PolarHBondContact OD1-NH2 3.34Å; D184-L188 PolarHBondContact O-N 3.35Å
185F90.8Very high90Very high0 Ų068.4 Ų68.40%033%0.325CS..Hα-helixtrans-63.4-38.9171.8-81.9-86.5000111.9F169 L177 M180 S181 K182 R187 L188 T189 A194 L197 L198 L201F169-F185 HydrophobicContact CE1-CD1 4.13Å; F169-F185 AromaticContact CE1-CE1 3.89Å; F169-F185 HydrophobicContact CE1-CE1 3.89Å; F169-F185 HydrophobicContact CZ-CD1 4.23Å; F169-F185 HydrophobicContact CZ-CE1 4.38Å; L177-F185 HydrophobicContact CD1-CE1 4.03Å; L177-F185 HydrophobicContact CD1-CZ 3.64Å; L177-F185 HydrophobicContact CG-CZ 4.28Å; M180-F185 HydrophobicContact CB-CD2 3.86Å; M180-F185 HydrophobicContact CB-CE2 3.55Å; M180-F185 HydrophobicContact CB-CZ 4.4Å; M180-F185 HydrophobicContact CE-CB 4.43Å; M180-F185 HydrophobicContact CE-CD1 4.01Å; M180-F185 HydrophobicContact CE-CD2 3.81Å; M180-F185 HydrophobicContact CE-CE1 4.19Å; M180-F185 HydrophobicContact CE-CE2 4Å; M180-F185 HydrophobicContact CE-CG 3.82Å; M180-F185 HydrophobicContact CE-CZ 4.19Å; M180-F185 HydrophobicContact SD-CE2 4.33Å; M180-F185 HydrophobicContact SD-CZ 4.36Å; S181-F185 PolarHBondContact O-N 3.39Å; K182-F185 PolarHBondContact O-N 2.86Å; F185-R187 PolarHBondContact O-N 2.98Å; F185-L188 PolarHBondContact O-N 3.13Å; F185-T189 PolarHBondContact O-N 3.11Å; F185-A194 HydrophobicContact CB-CB 3.76Å; F185-L197 HydrophobicContact CD1-CB 4.33Å; F185-L197 HydrophobicContact CD1-CD1 4.38Å; F185-L197 HydrophobicContact CE1-CB 4.11Å; F185-L198 HydrophobicContact CD2-CD1 4.39Å; F185-L198 HydrophobicContact CE2-CD1 4.14Å; F185-L201 HydrophobicContact CE2-CD2 4.47Å; F185-L201 HydrophobicContact CZ-CD2 4.21Å
186L90.9Very high90.1Very high63 Ų6364.1 Ų64.133%0.3331%0.308SS..Hα-helixtrans-64.1-20.3174.9-71.5171.5000113.8K182 D183 D184 M191 A194K182-L186 HydrophobicContact CG-CD1 4.18Å; K182-L186 HydrophobicContact CG-CG 4.47Å; K182-L186 VanDerWaalsContact O-CG 3.29Å; K182-L186 WeakPolarHBondContact O-CG 3.29Å; K182-L186 PolarHBondContact O-N 2.82Å; D183-L186 PolarHBondContact O-N 2.94Å; D184-L186 VanDerWaalsContact C-N 3.33Å; D184-L186 PolarHBondContact O-N 3.47Å; L186-M191 VanDerWaalsContact CD2-CA 3.46Å; L186-M191 HydrophobicContact CD2-CB 3.6Å; L186-M191 HydrophobicContact CD2-CG 3.82Å; L186-M191 HydrophobicContact CD2-SD 4.4Å; L186-A194 HydrophobicContact CD2-CB 4.09Å; L186-A194 HydrophobicContact CG-CB 4.41Å
187R89.1Confident90.1Very high186 Ų18659.7 Ų59.770%0.70229%0.288SS*.Hα-helixtrans-84.4-15.9172.4-70.4-175.6-55.1122.1-7.9113.6D183 D184 F185D183-R187 WeakPolarHBondContact O-CG 3.43Å; D183-R187 PolarHBondContact O-N 3.24Å; D183-R187 VanDerWaalsContact O-N 3.15Å; D184-R187 PolarHBondContact O-N 3.34Å; D184-R187 IonicContact OD1-CZ 3.3Å; D184-R187 IonicContact OD1-NE 2.66Å; D184-R187 IonicContact OD1-NH2 3.56Å; D184-R187 PolarHBondContact OD1-NH2 3.34Å; F185-R187 PolarHBondContact O-N 2.98Å
188L87.3Confident90.2Very high47 Ų4761.3 Ų61.325%0.24630%0.296CS..Hα-helixtrans-108.7-21.2-179.7-56.8-170000113.9M168 F169 M180 D184 F185M168-L188 HydrophobicContact CB-CB 4.25Å; M168-L188 HydrophobicContact CB-CD2 4.32Å; F169-L188 HydrophobicContact CD1-CD1 4.12Å; F169-L188 HydrophobicContact CE1-CB 4.48Å; F169-L188 HydrophobicContact CE1-CD1 3.79Å; F169-L188 HydrophobicContact CE2-CB 3.86Å; F169-L188 HydrophobicContact CE2-CD1 4.24Å; F169-L188 HydrophobicContact CG-CD1 4.49Å; F169-L188 HydrophobicContact CZ-CB 3.72Å; F169-L188 HydrophobicContact CZ-CD1 3.86Å; F169-L188 HydrophobicContact CZ-CG 4.44Å; M180-L188 HydrophobicContact CE-CD1 3.65Å; M180-L188 HydrophobicContact CE-CG 4.3Å; M180-L188 HydrophobicContact SD-CD1 4.45Å; D184-L188 PolarHBondContact O-N 3.35Å; F185-L188 PolarHBondContact O-N 3.13Å
189T88.6Confident90.1Very high18 Ų1863.8 Ų63.811%0.1131%0.314CS..SBendtrans-155.7174.3-179.8-161.10000112.7F185 N193 A194 L197F185-T189 PolarHBondContact O-N 3.11Å; T189-N193 HydrophobicContact CG2-CB 3.65Å; T189-N193 WeakPolarHBondContact OG1-CB 3.27Å; T189-N193 PolarHBondContact OG1-ND2 3.09Å; T189-N193 VanDerWaalsContact OG1-ND2 3.13Å; T189-A194 HydrophobicContact CG2-CB 4.2Å; T189-L197 HydrophobicContact CG2-CD1 4.03Å
190T89.6Confident90.1Very high58 Ų5858.4 Ų58.436%0.35629%0.291SS..  trans-63.5156.5-178.771.90000112Y192 N193 A194T190-Y192 VanDerWaalsContact C-N 3.26Å; T190-Y192 PolarHBondContact O-N 3.27Å; T190-N193 PolarHBondContact O-N 3.1Å; T190-N193 VanDerWaalsContact O-N 3.14Å; T190-N193 PolarHBondContact OG1-N 2.86Å; T190-N193 PolarHBondContact OG1-ND2 3.49Å; T190-N193 PolarHBondContact OG1-OD1 3.42Å; T190-A194 WeakPolarHBondContact O-CB 3.5Å; T190-A194 PolarHBondContact O-N 2.91Å
191M88.9Confident90.2Very high122 Ų12257.1 Ų57.160%0.60128%0.284SS*.Hα-helixtrans-59.1-34.4-179.1-177.3157.161.200113.9L186 E195L186-M191 VanDerWaalsContact CD2-CA 3.46Å; L186-M191 HydrophobicContact CD2-CB 3.6Å; L186-M191 HydrophobicContact CD2-CG 3.82Å; L186-M191 HydrophobicContact CD2-SD 4.4Å; M191-E195 WeakPolarHBondContact O-CG 3.43Å; M191-E195 PolarHBondContact O-N 2.93Å
192Y89.1Confident90.1Very high149 Ų14957.9 Ų57.958%0.58429%0.285SS*.Hα-helixtrans-65.1-51.4173.7177.8-104.9000111.7L161 T190 A194 E195 V196L161-Y192 HydrophobicContact CD2-CD1 4.47Å; L161-Y192 HydrophobicContact CD2-CE1 4.06Å; T190-Y192 VanDerWaalsContact C-N 3.26Å; T190-Y192 PolarHBondContact O-N 3.27Å; Y192-A194 VanDerWaalsContact C-N 3.32Å; Y192-A194 PolarHBondContact O-N 3.46Å; Y192-E195 PolarHBondContact O-N 3.4Å; Y192-V196 HydrophobicContact CE1-CG2 4.34Å; Y192-V196 HydrophobicContact CE2-CG2 4.32Å; Y192-V196 WeakPolarHBondContact O-CG2 3.5Å; Y192-V196 PolarHBondContact O-N 2.88Å; Y192-V196 VanDerWaalsContact O-N 3.17Å
193N89.8Confident90Very high3 Ų360.7 Ų60.72%0.01629%0.294CS..Hα-helixtrans-60.7-43.4179.2-65-5.3000110.8L162 T189 T190 E195 V196 L197L162-N193 PolarHBondContact O-ND2 3.24Å; T189-N193 HydrophobicContact CG2-CB 3.65Å; T189-N193 WeakPolarHBondContact OG1-CB 3.27Å; T189-N193 PolarHBondContact OG1-ND2 3.09Å; T189-N193 VanDerWaalsContact OG1-ND2 3.13Å; T190-N193 PolarHBondContact O-N 3.1Å; T190-N193 VanDerWaalsContact O-N 3.14Å; T190-N193 PolarHBondContact OG1-N 2.86Å; T190-N193 PolarHBondContact OG1-ND2 3.49Å; T190-N193 PolarHBondContact OG1-OD1 3.42Å; N193-E195 VanDerWaalsContact C-N 3.34Å; N193-E195 PolarHBondContact O-N 3.14Å; N193-V196 PolarHBondContact O-N 3.32Å; N193-L197 HydrophobicContact CB-CD1 4.42Å; N193-L197 WeakPolarHBondContact O-CB 3.29Å; N193-L197 VanDerWaalsContact O-CD1 3.27Å; N193-L197 WeakPolarHBondContact O-CD1 3.47Å; N193-L197 WeakPolarHBondContact O-CG 3.42Å; N193-L197 PolarHBondContact O-N 3.25Å
194A91.1Very high89.8Confident0 Ų057 Ų570%027%0.274CS..Hα-helixtrans-57.6-42.7178.300000112.7F185 L186 T189 T190 Y192 L198F185-A194 HydrophobicContact CB-CB 3.76Å; L186-A194 HydrophobicContact CD2-CB 4.09Å; L186-A194 HydrophobicContact CG-CB 4.41Å; T189-A194 HydrophobicContact CG2-CB 4.2Å; T190-A194 WeakPolarHBondContact O-CB 3.5Å; T190-A194 PolarHBondContact O-N 2.91Å; Y192-A194 VanDerWaalsContact C-N 3.32Å; Y192-A194 PolarHBondContact O-N 3.46Å; A194-L198 WeakPolarHBondContact O-CB 3.43Å; A194-L198 PolarHBondContact O-N 2.82Å
195E89.6Confident89.4Confident96 Ų9659.8 Ų59.845%0.44928%0.281SS..Hα-helixtrans-69.8-41.1178.1-73-175166.600112.7K182 M191 Y192 N193 S199K182-E195 WeakPolarHBondContact CE-OE1 3.46Å; K182-E195 IonicContact NZ-OE1 3.5Å; K182-E195 PolarHBondContact NZ-OE1 3.12Å; M191-E195 WeakPolarHBondContact O-CG 3.43Å; M191-E195 PolarHBondContact O-N 2.93Å; Y192-E195 PolarHBondContact O-N 3.4Å; N193-E195 VanDerWaalsContact C-N 3.34Å; N193-E195 PolarHBondContact O-N 3.14Å; E195-S199 WeakPolarHBondContact O-CB 3.41Å; E195-S199 PolarHBondContact O-N 3.48Å
196V92.3Very high88.7Confident27 Ų2766.9 Ų66.916%0.16432%0.315CS..Hα-helixtrans-62.8-47.6176.51760000111.2Y159 L161 Y192 N193 S199 H200Y159-V196 HydrophobicContact CD1-CG1 4.05Å; Y159-V196 HydrophobicContact CD2-CG1 3.65Å; Y159-V196 HydrophobicContact CE2-CG1 4.18Å; Y159-V196 HydrophobicContact CG-CG1 3.58Å; L161-V196 HydrophobicContact CD2-CB 4.22Å; L161-V196 HydrophobicContact CD2-CG1 4.16Å; L161-V196 HydrophobicContact CD2-CG2 4.32Å; Y192-V196 HydrophobicContact CE1-CG2 4.34Å; Y192-V196 HydrophobicContact CE2-CG2 4.32Å; Y192-V196 WeakPolarHBondContact O-CG2 3.5Å; Y192-V196 PolarHBondContact O-N 2.88Å; Y192-V196 VanDerWaalsContact O-N 3.17Å; N193-V196 PolarHBondContact O-N 3.32Å; V196-S199 PolarHBondContact O-N 3.15Å; V196-H200 PolarHBondContact O-N 3.09Å
197L92.1Very high87.8Confident1 Ų165.9 Ų65.91%0.00531%0.313CS..Hα-helixtrans-63.8-47.4-179-67.7162.5000111.8W151 L152 A155 L161 M164 F185 T189 N193 H200 L201W151-L197 HydrophobicContact CH2-CB 3.98Å; W151-L197 HydrophobicContact CH2-CD2 3.63Å; W151-L197 HydrophobicContact CH2-CG 4.41Å; W151-L197 HydrophobicContact CZ2-CD2 3.98Å; W151-L197 HydrophobicContact CZ3-CD2 4.1Å; L152-L197 HydrophobicContact CD1-CD2 4.12Å; A155-L197 HydrophobicContact CB-CD2 4.05Å; L161-L197 HydrophobicContact CD1-CD2 4.08Å; L161-L197 HydrophobicContact CD1-CG 4.19Å; M164-L197 HydrophobicContact CE-CD1 3.35Å; M164-L197 HydrophobicContact CE-CD2 4.18Å; M164-L197 HydrophobicContact CE-CG 4.39Å; M164-L197 HydrophobicContact SD-CD1 4.07Å; F185-L197 HydrophobicContact CD1-CB 4.33Å; F185-L197 HydrophobicContact CD1-CD1 4.38Å; F185-L197 HydrophobicContact CE1-CB 4.11Å; T189-L197 HydrophobicContact CG2-CD1 4.03Å; N193-L197 HydrophobicContact CB-CD1 4.42Å; N193-L197 WeakPolarHBondContact O-CB 3.29Å; N193-L197 VanDerWaalsContact O-CD1 3.27Å; N193-L197 WeakPolarHBondContact O-CD1 3.47Å; N193-L197 WeakPolarHBondContact O-CG 3.42Å; N193-L197 PolarHBondContact O-N 3.25Å; L197-H200 PolarHBondContact O-N 2.78Å; L197-L201 VanDerWaalsContact O-CB 3.31Å; L197-L201 WeakPolarHBondContact O-CB 3.46Å; L197-L201 PolarHBondContact O-N 3.36Å
198L91.9Very high86.5Confident34 Ų3458 Ų5818%0.17829%0.286CS..Hα-helixtrans-68.1-35.9179.8-174.662.7000112K182 F185 A194 N202K182-L198 HydrophobicContact CB-CD2 3.95Å; K182-L198 HydrophobicContact CG-CD2 4.28Å; F185-L198 HydrophobicContact CD2-CD1 4.39Å; F185-L198 HydrophobicContact CE2-CD1 4.14Å; A194-L198 WeakPolarHBondContact O-CB 3.43Å; A194-L198 PolarHBondContact O-N 2.82Å; L198-N202 WeakPolarHBondContact O-CB 3.18Å; L198-N202 PolarHBondContact O-N 2.99Å; L198-N202 PolarHBondContact O-ND2 3.03Å; L198-N202 VanDerWaalsContact O-ND2 3.08Å
199S89.9Confident85Confident83 Ų8359 Ų5958%0.5830%0.297SS*.Hα-helixtrans-61.5-50.7173.2-177.40000111.3E195 V196 L201 N202 Y203E195-S199 WeakPolarHBondContact O-CB 3.41Å; E195-S199 PolarHBondContact O-N 3.48Å; V196-S199 PolarHBondContact O-N 3.15Å; S199-L201 PolarHBondContact O-N 3.07Å; S199-N202 PolarHBondContact O-N 3.49Å; S199-Y203 PolarHBondContact O-N 3.2Å
200H90.6Very high83.4Confident25 Ų2562.2 Ų62.212%0.11632%0.32CS..Hα-helixtrans-64.8-39.7178.1-171.8-88.9000112.7W151 W154 Y159 V196 L197 N202 Y203 L204W151-H200 AromaticContact CE2-ND1 3.88Å; W151-H200 HydrophobicContact CZ2-CB 4.49Å; W151-H200 AromaticContact NE1-CE1 3.58Å; W151-H200 AromaticContact NE1-ND1 3.1Å; W151-H200 PolarHBondContact NE1-ND1 3.38Å; W154-H200 AromaticContact CH2-CD2 3.94Å; W154-H200 AromaticContact CH2-CE1 3.84Å; W154-H200 AromaticContact CH2-NE2 3.41Å; W154-H200 WeakPolarHBondContact CH2-NE2 3.42Å; W154-H200 AromaticContact CZ3-CE1 3.53Å; W154-H200 AromaticContact CZ3-NE2 3.58Å; Y159-H200 PolarHBondContact OH-CD2 3.43Å; V196-H200 PolarHBondContact O-N 3.09Å; L197-H200 PolarHBondContact O-N 2.78Å; H200-N202 VanDerWaalsContact C-N 3.33Å; H200-N202 PolarHBondContact O-N 3.46Å; H200-Y203 PolarHBondContact O-N 2.97Å; H200-L204 WeakPolarHBondContact O-CG 3.46Å; H200-L204 PolarHBondContact O-N 3.31Å
201L90.8Very high81.6Confident2 Ų265.6 Ų65.61%0.0134%0.336CS..Hα-helixtrans-61.5-41.1176.3-174.666000111.7P140 W143 L177 F185 L197 S199 L204 R205P140-L201 HydrophobicContact CB-CD1 3.6Å; P140-L201 HydrophobicContact CG-CD1 3.96Å; W143-L201 HydrophobicContact CZ3-CD1 4.48Å; L177-L201 HydrophobicContact CD2-CD1 3.94Å; L177-L201 HydrophobicContact CD2-CD2 4.4Å; L177-L201 HydrophobicContact CG-CD1 4.41Å; L177-L201 HydrophobicContact CG-CD2 4.02Å; L177-L201 WeakPolarHBondContact O-CD2 3.14Å; F185-L201 HydrophobicContact CE2-CD2 4.47Å; F185-L201 HydrophobicContact CZ-CD2 4.21Å; L197-L201 VanDerWaalsContact O-CB 3.31Å; L197-L201 WeakPolarHBondContact O-CB 3.46Å; L197-L201 PolarHBondContact O-N 3.36Å; S199-L201 PolarHBondContact O-N 3.07Å; L201-L204 PolarHBondContact O-N 3.09Å; L201-R205 VanDerWaalsContact O-CG 3.29Å; L201-R205 WeakPolarHBondContact O-CG 3.1Å; L201-R205 PolarHBondContact O-N 3.07Å; L201-R205 VanDerWaalsContact O-N 3.09Å
202N88.3Confident79.3Confident64 Ų6463.8 Ų63.834%0.34234%0.335SS..Hα-helixtrans-70.4-39.5175.9-73.6-36.8000112.6L198 S199 H200 L204 R205 E206L198-N202 WeakPolarHBondContact O-CB 3.18Å; L198-N202 PolarHBondContact O-N 2.99Å; L198-N202 PolarHBondContact O-ND2 3.03Å; L198-N202 VanDerWaalsContact O-ND2 3.08Å; S199-N202 PolarHBondContact O-N 3.49Å; H200-N202 VanDerWaalsContact C-N 3.33Å; H200-N202 PolarHBondContact O-N 3.46Å; N202-L204 VanDerWaalsContact C-N 3.3Å; N202-L204 PolarHBondContact O-N 3.17Å; N202-R205 PolarHBondContact O-N 3.14Å; N202-R205 VanDerWaalsContact O-N 3.14Å; N202-R205 PolarHBondContact OD1-NH1 3.38Å; N202-E206 WeakPolarHBondContact O-CB 3.3Å; N202-E206 PolarHBondContact O-N 2.84Å
203Y87Confident76.6Confident142 Ų14266.8 Ų66.856%0.55735%0.346SS*.Hα-helixtrans-56.4-43.1172.6169.2-104.8000112.3S199 H200 S207S199-Y203 PolarHBondContact O-N 3.2Å; H200-Y203 PolarHBondContact O-N 2.97Å; Y203-S207 VanDerWaalsContact O-CB 3.29Å; Y203-S207 WeakPolarHBondContact O-CB 2.89Å; Y203-S207 PolarHBondContact O-N 3.01Å; Y203-S207 PolarHBondContact O-OG 3.45Å
204L86.8Confident74.2Confident34 Ų3473.8 Ų73.818%0.17838%0.384CS..Hα-helixtrans-64.5-43.3174.5-69.8176.5000112.3P140 W143 H200 L201 N202 S207 S208P140-L204 HydrophobicContact CG-CB 3.59Å; P140-L204 HydrophobicContact CG-CD1 3.97Å; P140-L204 HydrophobicContact CG-CG 4.48Å; W143-L204 HydrophobicContact CH2-CD1 3.52Å; W143-L204 HydrophobicContact CZ2-CD1 3.59Å; H200-L204 WeakPolarHBondContact O-CG 3.46Å; H200-L204 PolarHBondContact O-N 3.31Å; L201-L204 PolarHBondContact O-N 3.09Å; N202-L204 VanDerWaalsContact C-N 3.3Å; N202-L204 PolarHBondContact O-N 3.17Å; L204-S207 PolarHBondContact O-N 3.39Å; L204-S208 WeakPolarHBondContact O-CB 3.44Å; L204-S208 PolarHBondContact O-N 3.28Å; L204-S208 PolarHBondContact O-OG 3.36Å
205R83.6Confident71.4Confident102 Ų10280.1 Ų80.139%0.38542%0.423SS..Hα-helixtrans-66.2-37.6178.9-71.7170.866.5-1412.3113.1P140 L201 N202 S208 S209P140-R205 HydrophobicContact CG-CG 4.2Å; L201-R205 VanDerWaalsContact O-CG 3.29Å; L201-R205 WeakPolarHBondContact O-CG 3.1Å; L201-R205 PolarHBondContact O-N 3.07Å; L201-R205 VanDerWaalsContact O-N 3.09Å; N202-R205 PolarHBondContact O-N 3.14Å; N202-R205 VanDerWaalsContact O-N 3.14Å; N202-R205 PolarHBondContact OD1-NH1 3.38Å; R205-S208 PolarHBondContact O-OG 3.38Å; R205-S208 VanDerWaalsContact O-OG 3.12Å; R205-S209 VanDerWaalsContact O-CB 3.24Å; R205-S209 WeakPolarHBondContact O-CB 3.24Å; R205-S209 PolarHBondContact O-N 3.02Å; R205-S209 PolarHBondContact O-OG 2.74Å
206E76.6Confident68.9Low149 Ų14981.5 Ų81.570%0.69644%0.44SS*.Hα-helixtrans-70.4-40.4175.8-170.8166.3-142.300110.7N202 S210N202-E206 WeakPolarHBondContact O-CB 3.3Å; N202-E206 PolarHBondContact O-N 2.84Å; E206-S210 PolarHBondContact O-N 3Å; E206-S210 VanDerWaalsContact O-N 3.12Å
207S70.1Confident66Low41 Ų4185.6 Ų85.629%0.28747%0.47SS..Hα-helixtrans-61-47.1172.5-59.80000112Y203 L204 S210Y203-S207 VanDerWaalsContact O-CB 3.29Å; Y203-S207 WeakPolarHBondContact O-CB 2.89Å; Y203-S207 PolarHBondContact O-N 3.01Å; Y203-S207 PolarHBondContact O-OG 3.45Å; L204-S207 PolarHBondContact O-N 3.39Å; S207-S210 PolarHBondContact O-N 3.33Å; S207-S210 PolarHBondContact O-OG 3.33Å
208S61.8Low63.7Low22 Ų2294.7 Ų94.715%0.15451%0.512CS..Hα-helixtrans-68.4-39.3179.369.40000112.7L204 R205 S210 L211L204-S208 WeakPolarHBondContact O-CB 3.44Å; L204-S208 PolarHBondContact O-N 3.28Å; L204-S208 PolarHBondContact O-OG 3.36Å; R205-S208 PolarHBondContact O-OG 3.38Å; R205-S208 VanDerWaalsContact O-OG 3.12Å; S208-S210 PolarHBondContact O-N 2.94Å; S208-L211 PolarHBondContact O-N 3.45Å; S208-L211 VanDerWaalsContact O-N 3.13Å
209S57.3Low61.2Low68 Ų6899.1 Ų99.148%0.47654%0.541SS..Hα-helixtrans-65.5-25.4176.4-57.90000113R205 L211 S212R205-S209 VanDerWaalsContact O-CB 3.24Å; R205-S209 WeakPolarHBondContact O-CB 3.24Å; R205-S209 PolarHBondContact O-N 3.02Å; R205-S209 PolarHBondContact O-OG 2.74Å; S209-L211 PolarHBondContact O-N 3.29Å; S209-S212 PolarHBondContact O-OG 3.47Å; S209-S212 VanDerWaalsContact O-OG 3.09Å
210S54.4Low58.4Low84 Ų84102.3 Ų102.359%0.58755%0.551SS**THydrogen-bonded Turntrans-71.2-17.3175.379.10000114E206 S207 S208E206-S210 PolarHBondContact O-N 3Å; E206-S210 VanDerWaalsContact O-N 3.12Å; S207-S210 PolarHBondContact O-N 3.33Å; S207-S210 PolarHBondContact O-OG 3.33Å; S208-S210 PolarHBondContact O-N 2.94Å
211L51.9Low55.7Low130 Ų130109.5 Ų109.568%0.68159%0.585SS**THydrogen-bonded Turntrans-95.5-13.8-175.8-70.4161.3000113.7S208 S209 Y213S208-L211 PolarHBondContact O-N 3.45Å; S208-L211 VanDerWaalsContact O-N 3.13Å; S209-L211 PolarHBondContact O-N 3.29Å; L211-Y213 PolarHBondContact O-N 3.02Å
212S40.4Very low52.7Low84 Ų84114.3 Ų114.359%0.58762%0.619SS**THydrogen-bonded Turntrans-89.65-167.453.10000116.1S209S209-S212 PolarHBondContact O-OG 3.47Å; S209-S212 VanDerWaalsContact O-OG 3.09Å
213Y33.2Very low50.3Low211 Ų211117.3 Ų117.383%0.82764%0.642SS**THydrogen-bonded Turntrans-94.214-176.3-83.8-74.4000115.7L211L211-Y213 PolarHBondContact O-N 3.02Å
214N37.7Very low47.6Very low150 Ų150122 Ų12280%0.80266%0.659SS**SBendtrans-85.3122.9168.1-84.6-17.4000111
215T32.5Very low45.3Very low133 Ų133128.6 Ų128.682%0.81669%0.693SS**  trans-65.3128.3-179.918.90000112.1S217T215-S217 PolarHBondContact O-N 2.93Å; T215-S217 VanDerWaalsContact O-N 3.15Å
216P38.5Very low42.8Very low125 Ų125128.1 Ų128.181%0.81271%0.711SS**  trans-77.9102.5-178.230.1-34.1000111.8
217S31.6Very low40.6Very low114 Ų114125.6 Ų125.680%0.79772%0.715SS**  trans-70.7130.6164.3-68.60000110.3T215 T219T215-S217 PolarHBondContact O-N 2.93Å; T215-S217 VanDerWaalsContact O-N 3.15Å; S217-T219 PolarHBondContact O-N 3.08Å; S217-T219 VanDerWaalsContact O-N 3.11Å
218H43.7Very low38.8Very low191 Ų191133.5 Ų133.588%0.88475%0.745SS**SBendtrans-47.2107.5-171.3-83.5-93.2000116.2
219T38.8Very low37.6Very low128 Ų128141.2 Ų141.279%0.78578%0.778SS**  trans-150.383143.447.10000109.9S217S217-T219 PolarHBondContact O-N 3.08Å; S217-T219 VanDerWaalsContact O-N 3.11Å
220D30.1Very low36.3Very low149 Ų149145.6 Ų145.680%0.79780%0.796SS**  trans-82.3119.4173.3-160.6-30000109.6
221Q34.1Very low35.4Very low177 Ų177147.1 Ų147.183%0.82780%0.804SS**  trans-127.4109.1172.6-73.9-16530.400109.8
222S28.7Very low34.4Very low103 Ų103145.9 Ų145.972%0.7281%0.806SS**  trans-67.9132-179.1-44.40000111.8R224S222-R224 PolarHBondContact O-N 3.03Å
223P37.3Very low34.1Very low126 Ų126152 Ų15282%0.81882%0.818SS**  trans-75.388.8-177.630.1-35.4000112.2
224R31.3Very low34.1Very low242 Ų242149.5 Ų149.591%0.91382%0.819SS**  trans-9772.2164.6-92.4-169.3172-118.50.6111.5S222 A226S222-R224 PolarHBondContact O-N 3.03Å; R224-A226 PolarHBondContact O-N 3.2Å
225L37.2Very low33.9Very low172 Ų172146.4 Ų146.490%0.90181%0.814SS**  trans-8788.6163.4-66.3-179000109.5A227L225-A227 PolarHBondContact O-N 2.61Å
226A31.1Very low34.2Very low92 Ų92146.4 Ų146.476%0.7681%0.814SS**  trans-72119.3162.500000108.3R224 K228R224-A226 PolarHBondContact O-N 3.2Å; A226-K228 PolarHBondContact O-N 3.49Å
227A31.7Very low34.1Very low96 Ų96151.4 Ų151.479%0.79382%0.817SS**  trans-61.6127.6173.200000109.5L225L225-A227 PolarHBondContact O-N 2.61Å
228K31.2Very low34.3Very low207 Ų207157.5 Ų157.590%0.982%0.822SS**  trans-87.3105.3164.6-76.3-173.3174.7-176.30107.8A226A226-K228 PolarHBondContact O-N 3.49Å
229E37.9Very low33.8Very low184 Ų184155 Ų15586%0.8682%0.82SS**PPolyproline II helixtrans-72.3134.2161.2-62.4-177.2135.600108.5
230D28.9Very low33.3Very low159 Ų159151.4 Ų151.485%0.8581%0.809SS**PPolyproline II helixtrans-78.1137.4173.6-118.7-26.1000109.3S232D230-S232 PolarHBondContact O-N 3.4Å
231P35.9Very low33.2Very low116 Ų116156.5 Ų156.575%0.75382%0.818SS**PPolyproline II helixtrans-75.5118-171.228.8-33.1000112.2
232S31.5Very low33Very low104 Ų104153.6 Ų153.673%0.72782%0.817SS**PPolyproline II helixtrans-63.5155.2169-168.90000112D230 D234D230-S232 PolarHBondContact O-N 3.4Å; S232-D234 VanDerWaalsContact C-N 3.27Å; S232-D234 PolarHBondContact O-N 3.13Å
233Y33.7Very low33Very low214 Ų214156.4 Ų156.484%0.83982%0.823SS**G310 helixtrans-75.32.3-157-162.2-106.1000116.4A235Y233-A235 PolarHBondContact O-N 3.31Å
234D33.5Very low32.7Very low157 Ų157157.5 Ų157.584%0.8482%0.823SS**G310 helixtrans-94.715.8-167.4-88.4-66000116.2S232S232-D234 VanDerWaalsContact C-N 3.27Å; S232-D234 PolarHBondContact O-N 3.13Å
235A32.3Very low32.7Very low86 Ų86153.5 Ų153.571%0.71182%0.816SS**G310 helixtrans-85.7-4.7-178.900000115.3Y233 R237Y233-A235 PolarHBondContact O-N 3.31Å; A235-R237 VanDerWaalsContact C-N 3.26Å; A235-R237 PolarHBondContact O-N 3.35Å
236V39.2Very low32.7Very low133 Ų133154.2 Ų154.281%0.80681%0.814SS**  trans-86.652.1-173.5-165.40000112.5
237R36.4Very low32.7Very low230 Ų230155.5 Ų155.587%0.86882%0.818SS**SBendtrans-164.8124.3163.2-117.5167.4180178.70.2113A235A235-R237 VanDerWaalsContact C-N 3.26Å; A235-R237 PolarHBondContact O-N 3.35Å
238R35.8Very low32.6Very low241 Ų241154.5 Ų154.591%0.90982%0.817SS**  trans69.6137.5-169.4-43.2178.7-126.9-117.65.7111.3
239T33.2Very low32.6Very low138 Ų138154.6 Ų154.685%0.84782%0.818SS**  cis-124.4154.15.742.60000112
240G28Very low32.2Very low54 Ų54149.9 Ų149.956%0.55782%0.818SS**  trans-112.1160.3163.700000110.3
241W28.4Very low32.4Very low256 Ų256147.4 Ų147.497%0.9781%0.813SS**  trans68.3133.8-179.9-37.5-40.5000113.1
242S29.3Very low32.7Very low115 Ų115147.6 Ų147.680%0.80481%0.814SS**  cis-150.1165.434.4-66.30000113.7
243N29.4Very low32.7Very low162 Ų162148.2 Ų148.287%0.86681%0.813SS**  trans-74.2154.8171-55.3-36.4000111.9
244N31.3Very low32.6Very low150 Ų150144.4 Ų144.480%0.80281%0.812SS**  -149149.6121.8-1562.7000110.8
245M31.7Very low32.6Very low157 Ų157142.5 Ų142.577%0.77381%0.806SS**  trans-93.2170174.2-57-159.982.100111.2
246H36.3Very low32.6Very low187 Ų187147 Ų14787%0.86681%0.813SS**  -155.7167126.4-9986.3000108.9
247S31.4Very low32.2Very low120 Ų120147.5 Ų147.584%0.83981%0.811SS**  trans-106.2153-161.3-172.60000114.3
248G29.3Very low32Very low75 Ų75143.7 Ų143.777%0.77381%0.813SS**  trans-176.154.5-175.700000118.6
249K31.7Very low31.8Very low209 Ų209137.1 Ų137.191%0.90980%0.804SS**  trans-3.3137.1164.5-58.9174.6179177.90119.9
250G28.3Very low31.5Very low84 Ų84139.5 Ų139.587%0.86680%0.803SS**  trans131.3125.1136.900000117.6
251S33.1Very low31.4Very low107 Ų107142.7 Ų142.775%0.74882%0.816SS**  trans-125.1158.1161.4-155.40000107.4V253S251-V253 PolarHBondContact OG-N 3.12Å
252P42.3Very low31.8Very low120 Ų120136.5 Ų136.578%0.77981%0.807SS**  -136.1145.97834.1-18.8000115.9
253V32.9Very low31.9Very low117 Ų117140.1 Ų140.171%0.70981%0.811SS**  trans-6.8127.5147.4-176.60000116.7S251S251-V253 PolarHBondContact OG-N 3.12Å
254V31.8Very low32.1Very low134 Ų134140.7 Ų140.781%0.81281%0.808SS**  trans-121.2124.6149.3174.40000108.1Q256V254-Q256 PolarHBondContact O-N 2.96Å
255T33.5Very low32.6Very low117 Ų117139.3 Ų139.372%0.71881%0.808SS**PPolyproline II helixtrans-70.8125.3-178.8-40.50000110.7
256Q31.9Very low32.7Very low180 Ų180141.9 Ų141.984%0.84181%0.809SS**PPolyproline II helixtrans-102.1137.9166.6-72.3-166.2-17.200110.6V254V254-Q256 PolarHBondContact O-N 2.96Å
257N29.6Very low33.2Very low145 Ų145139 Ų13978%0.77581%0.806SS**PPolyproline II helixtrans-70.7136.7-175.5-70.4-18000111.6S259N257-S259 VanDerWaalsContact C-N 3.33Å; N257-S259 PolarHBondContact O-N 2.7Å
258V33.4Very low34.2Very low150 Ų150140.7 Ų140.791%0.90980%0.801SS**  trans-74.887.3169.5179.70000109.2K260V258-K260 PolarHBondContact O-N 2.67Å
259S30.3Very low35.8Very low103 Ų103141 Ų14172%0.7279%0.789SS**  trans-79.8103.2168.4-70.80000109.6N257 S261N257-S259 VanDerWaalsContact C-N 3.33Å; N257-S259 PolarHBondContact O-N 2.7Å; S259-S261 PolarHBondContact O-N 2.97Å
260K28.2Very low38Very low188 Ų188133.9 Ų133.982%0.81776%0.761SS**  trans-45.3113.1-179.8-171.9178.7-174.7179.60112.7V258 T262V258-K260 PolarHBondContact O-N 2.67Å; K260-T262 PolarHBondContact O-N 2.85Å
261S26.3Very low40.6Very low121 Ų121132.3 Ų132.385%0.84674%0.736SS**  trans-65.6111.5175.5-56.60000111.2S259S259-S261 PolarHBondContact O-N 2.97Å
262T36.2Very low43Very low125 Ų125128.5 Ų128.577%0.76771%0.705SS**PPolyproline II helixtrans-83.4121.8164-550000108.3K260 Q264K260-T262 PolarHBondContact O-N 2.85Å; T262-Q264 PolarHBondContact O-N 2.6Å
263E31.7Very low44.9Very low191 Ų191129.6 Ų129.689%0.89370%0.7SS**PPolyproline II helixtrans-67.5116.3179.8-162.317414100110.3
264Q32.1Very low47.1Very low174 Ų174128.7 Ų128.781%0.81369%0.69SS**PPolyproline II helixtrans-94.8136.9175.9-84.2-162.7-14.600111.4T262T262-Q264 PolarHBondContact O-N 2.6Å
265P42Very low49.6Very low121 Ų121123.5 Ų123.579%0.78666%0.658SS**PPolyproline II helixtrans-60.9143.8172.2-22.833.9000112.5
266R34.4Very low51.8Low212 Ų212118.1 Ų118.180%0.863%0.626SS**PPolyproline II helixtrans-50.9134.8169.4-167.2-173.3-53.8156.45.8109.9Q268R266-Q268 PolarHBondContact O-N 2.69Å
267P46.6Very low54.1Low125 Ų125113.1 Ų113.181%0.81261%0.609SS**  trans-67.197.3179.727.2-34.3000110.4
268Q52.3Low56.4Low157 Ų157109.2 Ų109.273%0.73459%0.59SS**PPolyproline II helixtrans-70.8133.1161.5-71.4-71.34.900107.7R266 D270R266-Q268 PolarHBondContact O-N 2.69Å; Q268-D270 PolarHBondContact O-N 2.69Å
269P63.9Low58.8Low80 Ų80102.1 Ų102.152%0.51955%0.547SS..PPolyproline II helixtrans-63.5137.3173.728.6-34.3000109.4I274P269-I274 HydrophobicContact CB-CD1 3.79Å; P269-I274 HydrophobicContact CG-CD1 3.63Å
270D78.3Confident61.3Low61 Ų61100.4 Ų100.433%0.32654%0.536SS..PPolyproline II helixtrans-57.4121.5179.4174.43.1000110.3Q268 Y272 Q273 I274Q268-D270 PolarHBondContact O-N 2.69Å; D270-Y272 PolarHBondContact O-N 3.46Å; D270-Y272 VanDerWaalsContact O-N 3.16Å; D270-Y272 WeakPolarHBondContact OD1-CB 3.31Å; D270-Y272 WeakPolarHBondContact OD1-CD2 3.3Å; D270-Y272 PolarHBondContact OD1-N 3.16Å; D270-Q273 HydrophobicContact CB-CB 4.3Å; D270-Q273 HydrophobicContact CB-CG 3.93Å; D270-Q273 VanDerWaalsContact CB-NE2 3.33Å; D270-Q273 WeakPolarHBondContact O-CB 3.28Å; D270-Q273 PolarHBondContact O-N 3.11Å; D270-Q273 PolarHBondContact OD2-NE2 2.73Å; D270-Q273 VanDerWaalsContact OD2-NE2 3.11Å; D270-I274 PolarHBondContact O-N 2.94Å
271P81.1Confident63.8Low50 Ų50101.4 Ų101.433%0.32553%0.534SS..Hα-helixtrans-63-23.3-177.927.4-36000112.6I274 L275 W311P271-I274 PolarHBondContact O-N 2.84Å; P271-L275 VanDerWaalsContact O-CB 3.27Å; P271-L275 WeakPolarHBondContact O-CB 2.92Å; P271-L275 PolarHBondContact O-N 3.49Å; P271-W311 HydrophobicContact CB-CB 3.66Å; P271-W311 HydrophobicContact CB-CG 4.26Å; P271-W311 HydrophobicContact CG-CB 3.87Å
272Y84.1Confident66.3Low27 Ų2797.1 Ų97.111%0.10650%0.501CS..Hα-helixtrans-70.7-30173.5-69.4-85.4000112.5D270 G276 L300 S303 A306 I309 T310 W311D270-Y272 PolarHBondContact O-N 3.46Å; D270-Y272 VanDerWaalsContact O-N 3.16Å; D270-Y272 WeakPolarHBondContact OD1-CB 3.31Å; D270-Y272 WeakPolarHBondContact OD1-CD2 3.3Å; D270-Y272 PolarHBondContact OD1-N 3.16Å; Y272-G276 WeakPolarHBondContact O-CA 3.46Å; Y272-G276 PolarHBondContact O-N 3.42Å; Y272-L300 WeakPolarHBondContact CD1-O 3.43Å; Y272-L300 WeakPolarHBondContact CE1-O 3.16Å; Y272-S303 VanDerWaalsContact CE1-CA 3.49Å; Y272-A306 WeakPolarHBondContact OH-CB 3.5Å; Y272-I309 PolarHBondContact OH-O 3.35Å; Y272-T310 VanDerWaalsContact OH-CA 3.31Å; Y272-T310 WeakPolarHBondContact OH-CA 3.34Å; Y272-T310 VanDerWaalsContact OH-CB 3.3Å; Y272-T310 WeakPolarHBondContact OH-CB 3.35Å; Y272-T310 PolarHBondContact OH-OG1 2.98Å; Y272-W311 AromaticContact CD1-CD1 3.79Å; Y272-W311 AromaticContact CE1-CD1 3.8Å
273Q81.7Confident68.3Low143 Ų14391.3 Ų91.367%0.66847%0.466SS*.Hα-helixtrans-72.6-34.1175.9-66.617339.500111.8D270D270-Q273 HydrophobicContact CB-CB 4.3Å; D270-Q273 HydrophobicContact CB-CG 3.93Å; D270-Q273 VanDerWaalsContact CB-NE2 3.33Å; D270-Q273 WeakPolarHBondContact O-CB 3.28Å; D270-Q273 PolarHBondContact O-N 3.11Å; D270-Q273 PolarHBondContact OD2-NE2 2.73Å; D270-Q273 VanDerWaalsContact OD2-NE2 3.11Å
274I80.7Confident70.1Confident98 Ų9886.9 Ų86.950%0.50345%0.448SS..Hα-helixtrans-82-46.8178.1-61.8176.5000111.8P269 D270 P271P269-I274 HydrophobicContact CB-CD1 3.79Å; P269-I274 HydrophobicContact CG-CD1 3.63Å; D270-I274 PolarHBondContact O-N 2.94Å; P271-I274 PolarHBondContact O-N 2.84Å
275L82.4Confident71.8Confident25 Ų2583.3 Ų83.313%0.13144%0.441CS..Hα-helixtrans-99-21-170.5-58.8176.1000113.4P271 T278 S279 W311P271-L275 VanDerWaalsContact O-CB 3.27Å; P271-L275 WeakPolarHBondContact O-CB 2.92Å; P271-L275 PolarHBondContact O-N 3.49Å; L275-T278 PolarHBondContact O-N 3.39Å; L275-S279 VanDerWaalsContact O-CB 3.28Å; L275-S279 WeakPolarHBondContact O-CB 3.27Å; L275-S279 PolarHBondContact O-N 3.41Å; L275-S279 PolarHBondContact O-OG 2.87Å; L275-W311 HydrophobicContact CB-CD2 4.18Å; L275-W311 HydrophobicContact CB-CZ2 4.13Å; L275-W311 HydrophobicContact CD1-CD2 3.58Å; L275-W311 HydrophobicContact CD1-CE3 3.53Å; L275-W311 HydrophobicContact CD1-CG 4.06Å; L275-W311 HydrophobicContact CD1-CZ3 4.04Å
276G80.3Confident72.9Confident5 Ų581 Ų815%0.05244%0.439CS..Hα-helixtrans-57.7-52.718000000113.7Y272 T278 S279 S280Y272-G276 WeakPolarHBondContact O-CA 3.46Å; Y272-G276 PolarHBondContact O-N 3.42Å; G276-T278 VanDerWaalsContact C-N 3.32Å; G276-T278 PolarHBondContact O-N 3.16Å; G276-S279 PolarHBondContact O-N 3.34Å; G276-S280 WeakPolarHBondContact O-CB 3.5Å; G276-S280 PolarHBondContact O-N 2.98Å
277P79.8Confident74.5Confident75 Ų7573.5 Ų73.549%0.48742%0.419SS..Hα-helixtrans-59-41.2178.2-25.535.1000113.1R281P277-R281 WeakPolarHBondContact O-CG 3.3Å; P277-R281 PolarHBondContact O-N 2.88Å; P277-R281 VanDerWaalsContact O-N 3.14Å
278T79.3Confident75.5Confident63 Ų6370.2 Ų70.239%0.38741%0.408SS..Hα-helixtrans-65.6-43.6176.4-55.80000111.3L275 G276 R281 L282 F371L275-T278 PolarHBondContact O-N 3.39Å; G276-T278 VanDerWaalsContact C-N 3.32Å; G276-T278 PolarHBondContact O-N 3.16Å; T278-R281 PolarHBondContact O-N 2.95Å; T278-L282 HydrophobicContact CG2-CD1 3.85Å; T278-L282 WeakPolarHBondContact O-CG 3.12Å; T278-L282 PolarHBondContact O-N 3.04Å; T278-L282 VanDerWaalsContact O-N 3.09Å; T278-F371 HydrophobicContact CG2-CE1 4.46Å
279S82.7Confident77.1Confident0 Ų070.9 Ų70.90%041%0.411CS..Hα-helixtrans-69.8-38.9-178.1-54.60000112.1L275 G276 L282 A283 W311L275-S279 VanDerWaalsContact O-CB 3.28Å; L275-S279 WeakPolarHBondContact O-CB 3.27Å; L275-S279 PolarHBondContact O-N 3.41Å; L275-S279 PolarHBondContact O-OG 2.87Å; G276-S279 PolarHBondContact O-N 3.34Å; S279-L282 PolarHBondContact O-N 2.99Å; S279-A283 VanDerWaalsContact O-CB 3.27Å; S279-A283 WeakPolarHBondContact O-CB 3.21Å; S279-A283 PolarHBondContact O-N 2.8Å; S279-W311 WeakPolarHBondContact OG-CZ2 3.37Å
280S82.7Confident78.4Confident68 Ų6867.2 Ų67.248%0.47639%0.387SS..Hα-helixtrans-59.4-43.8171.8179.40000111.8G276 L282G276-S280 WeakPolarHBondContact O-CB 3.5Å; G276-S280 PolarHBondContact O-N 2.98Å; S280-L282 PolarHBondContact O-N 2.67Å
281R81.4Confident79.1Confident209 Ų20968.1 Ų68.179%0.78939%0.389SS*.Hα-helixtrans-67.4-29.7176-72.5174-177.1-101.78.2114.2P277 T278P277-R281 WeakPolarHBondContact O-CG 3.3Å; P277-R281 PolarHBondContact O-N 2.88Å; P277-R281 VanDerWaalsContact O-N 3.14Å; T278-R281 PolarHBondContact O-N 2.95Å
282L79.3Confident79.8Confident30 Ų3065.9 Ų65.916%0.15737%0.374CS..Hα-helixtrans-88.6-22.1-178.4-66.1170000113.1T278 S279 S280 L297 F371 I374 L378T278-L282 HydrophobicContact CG2-CD1 3.85Å; T278-L282 WeakPolarHBondContact O-CG 3.12Å; T278-L282 PolarHBondContact O-N 3.04Å; T278-L282 VanDerWaalsContact O-N 3.09Å; S279-L282 PolarHBondContact O-N 2.99Å; S280-L282 PolarHBondContact O-N 2.67Å; L282-L297 HydrophobicContact CB-CD1 3.76Å; L282-L297 HydrophobicContact CD1-CD1 4.22Å; L282-F371 HydrophobicContact CD1-CD1 4.04Å; L282-F371 HydrophobicContact CD1-CE1 4.01Å; L282-I374 HydrophobicContact CD1-CG2 4.33Å; L282-I374 HydrophobicContact CD2-CG2 4.06Å; L282-L378 HydrophobicContact CD2-CD1 3.41Å; L282-L378 VanDerWaalsContact CD2-CD1 3.41Å
283A77.4Confident80.3Confident3 Ų364.6 Ų64.63%0.02537%0.369CS..SBendtrans-90.2100176.200000110.8S279 P285 Q294 L297 E298S279-A283 VanDerWaalsContact O-CB 3.27Å; S279-A283 WeakPolarHBondContact O-CB 3.21Å; S279-A283 PolarHBondContact O-N 2.8Å; A283-P285 WeakPolarHBondContact O-CD 3.42Å; A283-P285 VanDerWaalsContact O-CG 3.31Å; A283-P285 WeakPolarHBondContact O-CG 3.23Å; A283-P285 VanDerWaalsContact O-N 3.12Å; A283-Q294 WeakPolarHBondContact CB-O 3.5Å; A283-L297 HydrophobicContact CB-CB 4.13Å; A283-E298 HydrophobicContact CB-CB 3.82Å; A283-E298 HydrophobicContact CB-CG 4.37Å
284N70.6Confident81Confident98 Ų9858.5 Ų58.552%0.52434%0.341SS..  trans-65.3105.4171.2-78.7-17.1000110.2
285P67.4Low81.7Confident100 Ų10054 Ų5465%0.64932%0.317SS*.THydrogen-bonded Turntrans-77.3160.4-167.8-13.431.1000112.4A283 S287A283-P285 WeakPolarHBondContact O-CD 3.42Å; A283-P285 VanDerWaalsContact O-CG 3.31Å; A283-P285 WeakPolarHBondContact O-CG 3.23Å; A283-P285 VanDerWaalsContact O-N 3.12Å; P285-S287 PolarHBondContact O-N 2.94Å
286G64.6Low82.4Confident72 Ų7252.8 Ų52.874%0.74231%0.311SS*.THydrogen-bonded Turntrans74.2-12.3164.900000117.4
287S68.9Low83.1Confident55 Ų5552.5 Ų52.539%0.38531%0.309SS..  trans-77.1125.4177.8-178.80000112.6P285 Q289 I290P285-S287 PolarHBondContact O-N 2.94Å; S287-Q289 PolarHBondContact O-N 2.86Å; S287-Q289 VanDerWaalsContact O-N 3.11Å; S287-Q289 PolarHBondContact OG-N 2.93Å; S287-Q289 VanDerWaalsContact OG-N 3.11Å; S287-I290 WeakPolarHBondContact O-CB 3.32Å; S287-I290 WeakPolarHBondContact O-CG2 3.39Å; S287-I290 PolarHBondContact O-N 2.86Å
288G67.4Low83.8Confident56 Ų5650.6 Ų50.658%0.57729%0.293SS*.THydrogen-bonded Turntrans-60.6-17168.100000113.6K334G288-K334 PolarHBondContact O-NZ 3.39Å
289Q84.7Confident84.5Confident170 Ų17048.1 Ų48.179%0.79428%0.277SS*.THydrogen-bonded Turntrans-85-7.6176.3-164.7164.3-10.400113.5S287 K334S287-Q289 PolarHBondContact O-N 2.86Å; S287-Q289 VanDerWaalsContact O-N 3.11Å; S287-Q289 PolarHBondContact OG-N 2.93Å; S287-Q289 VanDerWaalsContact OG-N 3.11Å; Q289-K334 VanDerWaalsContact C-NZ 3.27Å; Q289-K334 PolarHBondContact O-NZ 2.97Å
290I90.8Very high85.1Confident4 Ų448.1 Ų48.12%0.02128%0.277CS..  trans-44.1138.3-177.9-166.3170.9000114.3S287 Q294 F295 E298 W330 R333 K334S287-I290 WeakPolarHBondContact O-CB 3.32Å; S287-I290 WeakPolarHBondContact O-CG2 3.39Å; S287-I290 PolarHBondContact O-N 2.86Å; I290-Q294 HydrophobicContact CD1-CB 4Å; I290-Q294 HydrophobicContact CG1-CB 3.6Å; I290-F295 HydrophobicContact CD1-CB 4.11Å; I290-F295 HydrophobicContact CG1-CB 4.39Å; I290-E298 WeakPolarHBondContact CD1-OE2 3.3Å; I290-W330 HydrophobicContact CG2-CZ3 4.31Å; I290-W330 WeakPolarHBondContact O-CH2 3.33Å; I290-R333 HydrophobicContact CG2-CG 3.74Å; I290-K334 HydrophobicContact CG2-CD 4.38Å; I290-K334 PolarHBondContact O-NZ 3.08Å
291Q93.9Very high85.6Confident80 Ų8046.6 Ų46.637%0.37427%0.267SS..  trans-81.4158.2176.5-59.8-176.856.700111.7W293 Q294 F295Q291-W293 VanDerWaalsContact C-N 3.33Å; Q291-W293 VanDerWaalsContact CD-NE1 3.34Å; Q291-W293 PolarHBondContact O-N 3.37Å; Q291-Q294 HydrophobicContact CB-CG 4.3Å; Q291-Q294 PolarHBondContact O-N 3.26Å; Q291-F295 PolarHBondContact O-N 2.79Å
292L95.7Very high86Confident3 Ų339.9 Ų39.92%0.01625%0.246CC..Hα-helixtrans-61.8-39.6-178.5175.260.1000112.1Q294 F295 L296 W330 L344 A347 L348 Y351L292-Q294 PolarHBondContact O-N 3.07Å; L292-F295 HydrophobicContact CD1-CD1 4.17Å; L292-F295 PolarHBondContact O-N 3.24Å; L292-L296 HydrophobicContact CD1-CD1 4.08Å; L292-L296 HydrophobicContact CD1-CD2 4.41Å; L292-L296 HydrophobicContact CD1-CG 4.02Å; L292-L296 HydrophobicContact CG-CD1 4.16Å; L292-L296 VanDerWaalsContact O-CG 3.27Å; L292-L296 WeakPolarHBondContact O-CG 3.37Å; L292-L296 PolarHBondContact O-N 3.17Å; L292-W330 HydrophobicContact CB-CH2 3.9Å; L292-W330 HydrophobicContact CB-CZ2 3.75Å; L292-W330 HydrophobicContact CB-CZ3 4.43Å; L292-W330 HydrophobicContact CD1-CD2 3.76Å; L292-W330 HydrophobicContact CD1-CE3 4.12Å; L292-W330 HydrophobicContact CD1-CG 4.02Å; L292-W330 HydrophobicContact CD1-CZ2 4.33Å; L292-L344 HydrophobicContact CD1-CD1 4.09Å; L292-L344 HydrophobicContact CD1-CD2 4.33Å; L292-L344 HydrophobicContact CD1-CG 3.99Å; L292-L344 HydrophobicContact CD2-CD2 4.19Å; L292-L344 HydrophobicContact CD2-CG 4.04Å; L292-A347 HydrophobicContact CD2-CB 3.64Å; L292-L348 HydrophobicContact CD2-CD2 3.53Å; L292-L348 HydrophobicContact CD2-CG 4.13Å; L292-L348 HydrophobicContact CG-CD2 3.97Å; L292-Y351 HydrophobicContact CB-CE2 4.02Å; L292-Y351 HydrophobicContact CD2-CE2 4.37Å; L292-Y351 HydrophobicContact CG-CE2 4.31Å; L292-Y351 PolarHBondContact N-OH 2.81Å
293W95.6Very high86.6Confident0 Ų041.6 Ų41.60%026%0.261CS..Hα-helixtrans-64.1-39.2177.570.2-97.8000112.6Q291 L296 L297 Y351 I356 M357 F369 I374 A377 L378Q291-W293 VanDerWaalsContact C-N 3.33Å; Q291-W293 VanDerWaalsContact CD-NE1 3.34Å; Q291-W293 PolarHBondContact O-N 3.37Å; W293-L296 PolarHBondContact O-N 2.82Å; W293-L297 HydrophobicContact CE3-CD1 3.77Å; W293-L297 HydrophobicContact CZ3-CD1 3.85Å; W293-L297 PolarHBondContact O-N 2.66Å; W293-L297 VanDerWaalsContact O-N 3.13Å; W293-Y351 HydrophobicContact CB-CD2 4.47Å; W293-Y351 HydrophobicContact CB-CE2 3.99Å; W293-Y351 AromaticContact CD1-CE1 3.85Å; W293-Y351 AromaticContact CD1-CZ 3.71Å; W293-I356 HydrophobicContact CB-CG2 3.68Å; W293-I356 HydrophobicContact CD2-CG2 4.35Å; W293-I356 HydrophobicContact CG-CG2 3.76Å; W293-M357 HydrophobicContact CB-CE 4.04Å; W293-F369 HydrophobicContact CB-CE1 4.25Å; W293-I374 HydrophobicContact CE3-CG1 4.34Å; W293-I374 HydrophobicContact CE3-CG2 4.32Å; W293-I374 HydrophobicContact CH2-CG2 3.94Å; W293-I374 HydrophobicContact CZ3-CG1 4.45Å; W293-I374 HydrophobicContact CZ3-CG2 3.62Å; W293-A377 HydrophobicContact CZ2-CB 4.36Å; W293-L378 HydrophobicContact CH2-CD1 4.43Å; W293-L378 HydrophobicContact CH2-CD2 3.86Å; W293-L378 HydrophobicContact CH2-CG 3.9Å; W293-L378 HydrophobicContact CZ2-CD2 4.46Å
294Q94.6Very high87.5Confident15 Ų1546.7 Ų46.77%0.0729%0.292CS..Hα-helixtrans-66.4-44.6175.7-64.3175-60.800111.4A283 I290 Q291 L292 L296 L297 E298A283-Q294 WeakPolarHBondContact CB-O 3.5Å; I290-Q294 HydrophobicContact CD1-CB 4Å; I290-Q294 HydrophobicContact CG1-CB 3.6Å; Q291-Q294 HydrophobicContact CB-CG 4.3Å; Q291-Q294 PolarHBondContact O-N 3.26Å; L292-Q294 PolarHBondContact O-N 3.07Å; Q294-L296 VanDerWaalsContact C-N 3.3Å; Q294-L296 PolarHBondContact O-N 2.92Å; Q294-L297 PolarHBondContact O-N 2.84Å; Q294-E298 PolarHBondContact O-N 3.17Å
295F96Very high88.6Confident2 Ų243 Ų431%0.00927%0.272CS..Hα-helixtrans-61.4-36.7176.8167.4-98000112.8I290 Q291 L292 E298 L299 R329 W330 R333I290-F295 HydrophobicContact CD1-CB 4.11Å; I290-F295 HydrophobicContact CG1-CB 4.39Å; Q291-F295 PolarHBondContact O-N 2.79Å; L292-F295 HydrophobicContact CD1-CD1 4.17Å; L292-F295 PolarHBondContact O-N 3.24Å; F295-E298 WeakPolarHBondContact O-CB 3.34Å; F295-E298 PolarHBondContact O-N 3.03Å; F295-L299 HydrophobicContact CD1-CD1 4.5Å; F295-L299 HydrophobicContact CE1-CD1 3.74Å; F295-L299 HydrophobicContact CE1-CG 4.42Å; F295-L299 HydrophobicContact CE2-CD1 4.35Å; F295-L299 HydrophobicContact CE2-CG 4.34Å; F295-L299 HydrophobicContact CZ-CD1 3.65Å; F295-L299 HydrophobicContact CZ-CD2 4.49Å; F295-L299 HydrophobicContact CZ-CG 4.13Å; F295-L299 PolarHBondContact O-N 3.09Å; F295-L299 VanDerWaalsContact O-N 3.11Å; F295-R329 HydrophobicContact CE2-CB 4.48Å; F295-R329 HydrophobicContact CZ-CB 3.77Å; F295-W330 HydrophobicContact CB-CE3 3.9Å; F295-W330 HydrophobicContact CB-CZ3 3.74Å; F295-W330 HydrophobicContact CD1-CB 4.27Å; F295-W330 HydrophobicContact CD1-CD2 4.26Å; F295-W330 AromaticContact CD1-CE3 3.55Å; F295-W330 HydrophobicContact CD1-CE3 3.55Å; F295-W330 HydrophobicContact CD1-CZ3 4.27Å; F295-W330 HydrophobicContact CD2-CE3 4.17Å; F295-W330 HydrophobicContact CE1-CB 3.69Å; F295-W330 HydrophobicContact CE1-CE3 4.09Å; F295-W330 HydrophobicContact CE1-CG 4.44Å; F295-W330 AromaticContact CG-CE3 3.59Å; F295-W330 HydrophobicContact CG-CE3 3.59Å; F295-W330 AromaticContact CG-CZ3 3.96Å; F295-W330 HydrophobicContact CG-CZ3 3.96Å; F295-W330 HydrophobicContact CZ-CB 4.12Å; F295-R333 HydrophobicContact CD2-CB 4.23Å; F295-R333 HydrophobicContact CD2-CG 3.93Å; F295-R333 HydrophobicContact CE2-CB 4.02Å; F295-R333 HydrophobicContact CE2-CG 4.2Å
296L96.9Very high90Very high0 Ų039.9 Ų39.90%026%0.255CS..Hα-helixtrans-70.3-38.2175.6-66.7174.3000111.9L292 W293 Q294 E298 L300 I309 F318 M320 V326 L348 M357 F369L292-L296 HydrophobicContact CD1-CD1 4.08Å; L292-L296 HydrophobicContact CD1-CD2 4.41Å; L292-L296 HydrophobicContact CD1-CG 4.02Å; L292-L296 HydrophobicContact CG-CD1 4.16Å; L292-L296 VanDerWaalsContact O-CG 3.27Å; L292-L296 WeakPolarHBondContact O-CG 3.37Å; L292-L296 PolarHBondContact O-N 3.17Å; W293-L296 PolarHBondContact O-N 2.82Å; Q294-L296 VanDerWaalsContact C-N 3.3Å; Q294-L296 PolarHBondContact O-N 2.92Å; L296-E298 VanDerWaalsContact C-N 3.32Å; L296-L300 VanDerWaalsContact O-CB 3.24Å; L296-L300 WeakPolarHBondContact O-CB 3.31Å; L296-L300 WeakPolarHBondContact O-CD1 3.37Å; L296-L300 VanDerWaalsContact O-CG 3.28Å; L296-L300 WeakPolarHBondContact O-CG 3.17Å; L296-L300 PolarHBondContact O-N 2.85Å; L296-I309 HydrophobicContact CB-CD1 4.39Å; L296-I309 HydrophobicContact CD2-CD1 3.59Å; L296-F318 HydrophobicContact CD1-CE2 4.41Å; L296-F318 HydrophobicContact CD1-CZ 4.19Å; L296-M320 HydrophobicContact CD1-CE 3.95Å; L296-M320 HydrophobicContact CD2-CE 3.8Å; L296-V326 HydrophobicContact CD2-CG1 3.72Å; L296-L348 HydrophobicContact CD1-CD2 3.66Å; L296-M357 HydrophobicContact CD1-CE 4.32Å; L296-F369 HydrophobicContact CB-CZ 4.06Å
297L94.9Very high91.5Very high0 Ų039.7 Ų39.70%025%0.253CS..Hα-helixtrans-64.9-34.6170.6-70.5173.3000112.3L282 A283 W293 Q294 L300 S301 W311 F369 I374L282-L297 HydrophobicContact CB-CD1 3.76Å; L282-L297 HydrophobicContact CD1-CD1 4.22Å; A283-L297 HydrophobicContact CB-CB 4.13Å; W293-L297 HydrophobicContact CE3-CD1 3.77Å; W293-L297 HydrophobicContact CZ3-CD1 3.85Å; W293-L297 PolarHBondContact O-N 2.66Å; W293-L297 VanDerWaalsContact O-N 3.13Å; Q294-L297 PolarHBondContact O-N 2.84Å; L297-L300 CarbonylContact O-C 3.42Å; L297-L300 PolarHBondContact O-N 2.87Å; L297-S301 WeakPolarHBondContact O-CB 3.44Å; L297-S301 PolarHBondContact O-N 2.99Å; L297-W311 HydrophobicContact CD2-CH2 3.84Å; L297-W311 HydrophobicContact CD2-CZ2 4.2Å; L297-F369 HydrophobicContact CD1-CE1 4.5Å; L297-F369 HydrophobicContact CD2-CD2 3.82Å; L297-F369 HydrophobicContact CD2-CE1 4.21Å; L297-F369 HydrophobicContact CD2-CE2 3.43Å; L297-F369 VanDerWaalsContact CD2-CE2 3.43Å; L297-F369 HydrophobicContact CD2-CG 4.37Å; L297-F369 HydrophobicContact CD2-CZ 3.63Å; L297-F369 HydrophobicContact CG-CE1 4.03Å; L297-F369 HydrophobicContact CG-CE2 4.02Å; L297-F369 HydrophobicContact CG-CZ 3.66Å; L297-I374 HydrophobicContact CD1-CD1 4.44Å
298E94.2Very high92.8Very high35 Ų3537.2 Ų37.216%0.16424%0.236CC..Hα-helixtrans-60.3-54175.1-162.7-169.6103.600110.6A283 I290 Q294 F295 L296 L300 S301 R333A283-E298 HydrophobicContact CB-CB 3.82Å; A283-E298 HydrophobicContact CB-CG 4.37Å; I290-E298 WeakPolarHBondContact CD1-OE2 3.3Å; Q294-E298 PolarHBondContact O-N 3.17Å; F295-E298 WeakPolarHBondContact O-CB 3.34Å; F295-E298 PolarHBondContact O-N 3.03Å; L296-E298 VanDerWaalsContact C-N 3.32Å; E298-L300 VanDerWaalsContact C-N 3.32Å; E298-L300 PolarHBondContact O-N 3.28Å; E298-S301 WeakPolarHBondContact O-CB 3.43Å; E298-S301 PolarHBondContact O-N 3Å; E298-S301 VanDerWaalsContact O-N 3.17Å; E298-S301 PolarHBondContact O-OG 3.39Å; E298-R333 IonicContact OE1-CZ 2.67Å; E298-R333 VanDerWaalsContact OE1-CZ 3.23Å; E298-R333 IonicContact OE1-NH1 3.4Å; E298-R333 PolarHBondContact OE1-NH1 3.1Å; E298-R333 IonicContact OE1-NH2 3.58Å; E298-R333 PolarHBondContact OE1-NH2 3.44Å; E298-R333 IonicContact OE2-CZ 2.79Å; E298-R333 IonicContact OE2-NH1 3.27Å; E298-R333 PolarHBondContact OE2-NH1 3.4Å; E298-R333 IonicContact OE2-NH2 2.7Å
299L95.5Very high94.3Very high10 Ų1034.6 Ų34.65%0.05221%0.208CC..Hα-helixtrans-60.2-41.8176.1-65.5-179.6000112.2F295 S301 D302 N305 I309F295-L299 HydrophobicContact CD1-CD1 4.5Å; F295-L299 HydrophobicContact CE1-CD1 3.74Å; F295-L299 HydrophobicContact CE1-CG 4.42Å; F295-L299 HydrophobicContact CE2-CD1 4.35Å; F295-L299 HydrophobicContact CE2-CG 4.34Å; F295-L299 HydrophobicContact CZ-CD1 3.65Å; F295-L299 HydrophobicContact CZ-CD2 4.49Å; F295-L299 HydrophobicContact CZ-CG 4.13Å; F295-L299 PolarHBondContact O-N 3.09Å; F295-L299 VanDerWaalsContact O-N 3.11Å; L299-S301 PolarHBondContact O-N 3.32Å; L299-D302 PolarHBondContact O-N 3.35Å; L299-D302 VanDerWaalsContact O-O 3.12Å; L299-N305 HydrophobicContact CB-CB 4.42Å; L299-N305 WeakPolarHBondContact O-CB 3.47Å; L299-N305 PolarHBondContact O-ND2 3.14Å; L299-I309 HydrophobicContact CB-CG2 3.56Å; L299-I309 HydrophobicContact CD1-CG2 4Å; L299-I309 HydrophobicContact CG-CG2 4.44Å
300L95.6Very high94.8Very high0 Ų027.5 Ų27.50%018%0.177CC..Hα-helixtrans-73.5-10179.9-78.5166.7000114.2Y272 L296 L297 E298 D302 I309 T310 W311 F318 F369Y272-L300 WeakPolarHBondContact CD1-O 3.43Å; Y272-L300 WeakPolarHBondContact CE1-O 3.16Å; L296-L300 VanDerWaalsContact O-CB 3.24Å; L296-L300 WeakPolarHBondContact O-CB 3.31Å; L296-L300 WeakPolarHBondContact O-CD1 3.37Å; L296-L300 VanDerWaalsContact O-CG 3.28Å; L296-L300 WeakPolarHBondContact O-CG 3.17Å; L296-L300 PolarHBondContact O-N 2.85Å; L297-L300 CarbonylContact O-C 3.42Å; L297-L300 PolarHBondContact O-N 2.87Å; E298-L300 VanDerWaalsContact C-N 3.32Å; E298-L300 PolarHBondContact O-N 3.28Å; L300-D302 VanDerWaalsContact C-N 3.28Å; L300-I309 HydrophobicContact CD1-CD1 4.03Å; L300-I309 HydrophobicContact CD1-CG1 4.33Å; L300-I309 HydrophobicContact CD2-CD1 4.44Å; L300-I309 HydrophobicContact CD2-CG1 3.91Å; L300-I309 HydrophobicContact CG-CD1 3.97Å; L300-I309 HydrophobicContact CG-CG1 3.99Å; L300-I309 HydrophobicContact CG-CG2 4.45Å; L300-T310 VanDerWaalsContact CD2-C 3.43Å; L300-W311 HydrophobicContact CB-CH2 4.32Å; L300-W311 HydrophobicContact CB-CZ2 3.5Å; L300-W311 HydrophobicContact CD1-CH2 3.86Å; L300-W311 HydrophobicContact CD1-CZ2 3.87Å; L300-W311 HydrophobicContact CD1-CZ3 4.2Å; L300-W311 HydrophobicContact CD2-CD2 4.09Å; L300-W311 HydrophobicContact CD2-CG 4.19Å; L300-W311 HydrophobicContact CD2-CZ2 4.42Å; L300-W311 HydrophobicContact CG-CZ2 4.14Å; L300-W311 PolarHBondContact O-NE1 2.93Å; L300-F318 HydrophobicContact CD1-CB 3.74Å; L300-F318 HydrophobicContact CD1-CD1 4.09Å; L300-F318 HydrophobicContact CD1-CD2 3.82Å; L300-F318 HydrophobicContact CD1-CE2 4.4Å; L300-F318 HydrophobicContact CD1-CG 3.63Å; L300-F318 HydrophobicContact CD2-CB 4.1Å; L300-F369 HydrophobicContact CD1-CE2 3.84Å; L300-F369 HydrophobicContact CD1-CZ 4.5Å
301S91.8Very high95Very high37 Ų3727.8 Ų27.826%0.25918%0.178SC..THydrogen-bonded Turntrans-75.1-19175.872.20000113.1L297 E298 L299L297-S301 WeakPolarHBondContact O-CB 3.44Å; L297-S301 PolarHBondContact O-N 2.99Å; E298-S301 WeakPolarHBondContact O-CB 3.43Å; E298-S301 PolarHBondContact O-N 3Å; E298-S301 VanDerWaalsContact O-N 3.17Å; E298-S301 PolarHBondContact O-OG 3.39Å; L299-S301 PolarHBondContact O-N 3.32Å
302D90.6Very high94.8Very high67 Ų6726.7 Ų26.736%0.35817%0.172SC..SBendtrans-121.8128.6-179.5173.716000111.3L299 L300 T304 N305L299-D302 PolarHBondContact O-N 3.35Å; L299-D302 VanDerWaalsContact O-O 3.12Å; L300-D302 VanDerWaalsContact C-N 3.28Å; D302-T304 VanDerWaalsContact C-N 3.28Å; D302-T304 VanDerWaalsContact CG-OG1 3.27Å; D302-T304 PolarHBondContact O-N 2.89Å; D302-T304 WeakPolarHBondContact OD1-CG2 3.21Å; D302-T304 PolarHBondContact OD1-N 3.13Å; D302-T304 PolarHBondContact OD1-OG1 3.39Å; D302-T304 PolarHBondContact OD2-OG1 3.05Å; D302-N305 PolarHBondContact O-N 3.36Å; D302-N305 PolarHBondContact O-ND2 3.09Å
303S92.4Very high94Very high67 Ų6729.4 Ų29.447%0.46920%0.201SC..G310 helixtrans-71.1-15.8-18060.60000114.1Y272 N305 A306Y272-S303 VanDerWaalsContact CE1-CA 3.49Å; S303-N305 PolarHBondContact O-N 3.16Å; S303-A306 WeakPolarHBondContact O-CB 3.28Å; S303-A306 PolarHBondContact O-N 3.19Å; S303-A306 VanDerWaalsContact O-N 3.08Å
304T94.9Very high93.1Very high109 Ų10933.3 Ų33.367%0.66923%0.225SC*.G310 helixtrans-60.6-25.3171.474.20000112.4D302 A306D302-T304 VanDerWaalsContact C-N 3.28Å; D302-T304 VanDerWaalsContact CG-OG1 3.27Å; D302-T304 PolarHBondContact O-N 2.89Å; D302-T304 WeakPolarHBondContact OD1-CG2 3.21Å; D302-T304 PolarHBondContact OD1-N 3.13Å; D302-T304 PolarHBondContact OD1-OG1 3.39Å; D302-T304 PolarHBondContact OD2-OG1 3.05Å; T304-A306 VanDerWaalsContact C-N 3.28Å; T304-A306 PolarHBondContact O-N 3.37Å
305N95.1Very high92.3Very high20 Ų2037.4 Ų37.411%0.10725%0.248CC..G310 helixtrans-80.4-3178.8-59.8-58.5000114L299 D302 S303 G307 C308 I309 R329L299-N305 HydrophobicContact CB-CB 4.42Å; L299-N305 WeakPolarHBondContact O-CB 3.47Å; L299-N305 PolarHBondContact O-ND2 3.14Å; D302-N305 PolarHBondContact O-N 3.36Å; D302-N305 PolarHBondContact O-ND2 3.09Å; S303-N305 PolarHBondContact O-N 3.16Å; N305-G307 PolarHBondContact O-N 2.89Å; N305-C308 PolarHBondContact O-N 2.94Å; N305-I309 CarbonylContact C-O 3.58Å; N305-I309 HydrophobicContact CB-CG2 4.28Å; N305-I309 PolarHBondContact O-N 2.97Å; N305-I309 VanDerWaalsContact O-O 3.08Å; N305-R329 PolarHBondContact OD1-NH1 3.13Å
306A95.1Very high92Very high36 Ų3637.3 Ų37.330%0.29825%0.247SC..G310 helixtrans-54.3-24.8-178.900000114.2Y272 S303 T304 C308 I309 T321Y272-A306 WeakPolarHBondContact OH-CB 3.5Å; S303-A306 WeakPolarHBondContact O-CB 3.28Å; S303-A306 PolarHBondContact O-N 3.19Å; S303-A306 VanDerWaalsContact O-N 3.08Å; T304-A306 VanDerWaalsContact C-N 3.28Å; T304-A306 PolarHBondContact O-N 3.37Å; A306-C308 VanDerWaalsContact C-N 3.26Å; A306-C308 PolarHBondContact O-N 2.86Å; A306-I309 WeakPolarHBondContact CA-O 3.46Å; A306-T321 PolarHBondContact O-OG1 3.08Å
307G96.3Very high92Very high67 Ų6739.1 Ų39.169%0.69126%0.256SS*.G310 helixtrans-60.1-29.7173.400000114.3N305 T321N305-G307 PolarHBondContact O-N 2.89Å; G307-T321 PolarHBondContact O-OG1 3.18Å
308C97.2Very high92.1Very high4 Ų439.2 Ų39.23%0.02726%0.256CS..THydrogen-bonded Turntrans-119.4-27.2177680000114.8N305 A306 M320 T321 D322 E325 V326N305-C308 PolarHBondContact O-N 2.94Å; A306-C308 VanDerWaalsContact C-N 3.26Å; A306-C308 PolarHBondContact O-N 2.86Å; C308-M320 CarbonylContact O-C 3.6Å; C308-M320 WeakPolarHBondContact O-CA 3.43Å; C308-T321 VanDerWaalsContact CA-OG1 3.29Å; C308-T321 WeakPolarHBondContact CA-OG1 3.21Å; C308-T321 PolarHBondContact N-OG1 3.3Å; C308-T321 PolarHBondContact O-N 3.4Å; C308-T321 PolarHBondContact O-OG1 3.46Å; C308-D322 HydrophobicContact CB-CB 3.86Å; C308-D322 PolarHBondContact O-N 2.92Å; C308-D322 VanDerWaalsContact O-N 3.1Å; C308-E325 HydrophobicContact CB-CB 3.96Å; C308-E325 HydrophobicContact CB-CG 3.72Å; C308-V326 HydrophobicContact CB-CG2 4Å; C308-V326 WeakPolarHBondContact O-CG2 3.2Å
309I98Very high92.2Very high0 Ų040.5 Ų40.50%026%0.261CS..EExtended strand (participates in β ladder)trans-150.5133.5176.8-165.4175.4000112.3Y272 L296 L299 L300 N305 A306 F318 K319 M320 T321 V326Y272-I309 PolarHBondContact OH-O 3.35Å; L296-I309 HydrophobicContact CB-CD1 4.39Å; L296-I309 HydrophobicContact CD2-CD1 3.59Å; L299-I309 HydrophobicContact CB-CG2 3.56Å; L299-I309 HydrophobicContact CD1-CG2 4Å; L299-I309 HydrophobicContact CG-CG2 4.44Å; L300-I309 HydrophobicContact CD1-CD1 4.03Å; L300-I309 HydrophobicContact CD1-CG1 4.33Å; L300-I309 HydrophobicContact CD2-CD1 4.44Å; L300-I309 HydrophobicContact CD2-CG1 3.91Å; L300-I309 HydrophobicContact CG-CD1 3.97Å; L300-I309 HydrophobicContact CG-CG1 3.99Å; L300-I309 HydrophobicContact CG-CG2 4.45Å; N305-I309 CarbonylContact C-O 3.58Å; N305-I309 HydrophobicContact CB-CG2 4.28Å; N305-I309 PolarHBondContact O-N 2.97Å; N305-I309 VanDerWaalsContact O-O 3.08Å; A306-I309 WeakPolarHBondContact CA-O 3.46Å; I309-F318 HydrophobicContact CD1-CD2 3.95Å; I309-F318 HydrophobicContact CD1-CE2 3.98Å; I309-F318 HydrophobicContact CG1-CD2 4.07Å; I309-K319 WeakPolarHBondContact CA-O 3.38Å; I309-K319 WeakPolarHBondContact CG1-O 3.29Å; I309-M320 HydrophobicContact CD1-CG 4.24Å; I309-M320 HydrophobicContact CG1-CG 4.21Å; I309-T321 PolarHBondContact N-OG1 3.38Å; I309-V326 HydrophobicContact CB-CG2 3.86Å; I309-V326 HydrophobicContact CG2-CG2 4.4Å
310T96.4Very high92.3Very high21 Ų2140.2 Ų40.213%0.12926%0.26CS..EExtended strand (participates in β ladder)trans-148.6150.2-174.4-166.70000113.5Y272 L300 F318 K319 T321Y272-T310 VanDerWaalsContact OH-CA 3.31Å; Y272-T310 WeakPolarHBondContact OH-CA 3.34Å; Y272-T310 VanDerWaalsContact OH-CB 3.3Å; Y272-T310 WeakPolarHBondContact OH-CB 3.35Å; Y272-T310 PolarHBondContact OH-OG1 2.98Å; L300-T310 VanDerWaalsContact CD2-C 3.43Å; T310-F318 CarbonylContact O-C 3.43Å; T310-F318 WeakPolarHBondContact O-CA 3.4Å; T310-F318 WeakPolarHBondContact O-CB 3.39Å; T310-K319 HydrophobicContact CG2-CD 4.22Å; T310-K319 VanDerWaalsContact CG2-CE 3.42Å; T310-K319 HydrophobicContact CG2-CG 3.74Å; T310-K319 PolarHBondContact N-O 3.34Å; T310-K319 PolarHBondContact O-N 2.9Å; T310-T321 HydrophobicContact CG2-CG2 4.15Å
311W95.3Very high92.4Very high10 Ų1043.4 Ų43.44%0.03828%0.279CS..EExtended strand (participates in β ladder)trans-64.4142.2168.9-64.4109.9000110.6P271 Y272 L275 S279 L297 L300 F318 F369P271-W311 HydrophobicContact CB-CB 3.66Å; P271-W311 HydrophobicContact CB-CG 4.26Å; P271-W311 HydrophobicContact CG-CB 3.87Å; Y272-W311 AromaticContact CD1-CD1 3.79Å; Y272-W311 AromaticContact CE1-CD1 3.8Å; L275-W311 HydrophobicContact CB-CD2 4.18Å; L275-W311 HydrophobicContact CB-CZ2 4.13Å; L275-W311 HydrophobicContact CD1-CD2 3.58Å; L275-W311 HydrophobicContact CD1-CE3 3.53Å; L275-W311 HydrophobicContact CD1-CG 4.06Å; L275-W311 HydrophobicContact CD1-CZ3 4.04Å; S279-W311 WeakPolarHBondContact OG-CZ2 3.37Å; L297-W311 HydrophobicContact CD2-CH2 3.84Å; L297-W311 HydrophobicContact CD2-CZ2 4.2Å; L300-W311 HydrophobicContact CB-CH2 4.32Å; L300-W311 HydrophobicContact CB-CZ2 3.5Å; L300-W311 HydrophobicContact CD1-CH2 3.86Å; L300-W311 HydrophobicContact CD1-CZ2 3.87Å; L300-W311 HydrophobicContact CD1-CZ3 4.2Å; L300-W311 HydrophobicContact CD2-CD2 4.09Å; L300-W311 HydrophobicContact CD2-CG 4.19Å; L300-W311 HydrophobicContact CD2-CZ2 4.42Å; L300-W311 HydrophobicContact CG-CZ2 4.14Å; L300-W311 PolarHBondContact O-NE1 2.93Å; W311-F318 HydrophobicContact CE3-CB 3.92Å; W311-F318 HydrophobicContact CZ3-CB 4.12Å; W311-F318 HydrophobicContact CZ3-CD1 4.4Å; W311-F369 AromaticContact CH2-CD2 3.76Å; W311-F369 HydrophobicContact CH2-CD2 3.76Å; W311-F369 AromaticContact CH2-CE2 3.8Å; W311-F369 HydrophobicContact CH2-CE2 3.8Å; W311-F369 AromaticContact CZ3-CD2 3.88Å; W311-F369 HydrophobicContact CZ3-CD2 3.88Å; W311-F369 HydrophobicContact CZ3-CE2 4.16Å
312E89.2Confident92.7Very high57 Ų5744.9 Ų44.927%0.26628%0.284SS..  trans-150.4135.9176.1-171.1-165.6100.100110.3E317 K319 K363E312-E317 PolarHBondContact N-O 3.44Å; E312-E317 CarbonylContact O-C 3.35Å; E312-E317 WeakPolarHBondContact O-CB 3.27Å; E312-K319 HydrophobicContact CB-CG 4.43Å; E312-K319 VanDerWaalsContact OE2-CD 3.23Å; E312-K319 WeakPolarHBondContact OE2-CD 3.35Å; E312-K319 WeakPolarHBondContact OE2-CE 3.38Å; E312-K319 IonicContact OE2-NZ 2.69Å; E312-K319 PolarHBondContact OE2-NZ 3.34Å; E312-K363 VanDerWaalsContact OE1-CD 3.31Å; E312-K363 WeakPolarHBondContact OE1-CD 3.33Å; E312-K363 VanDerWaalsContact OE1-CE 3.28Å; E312-K363 WeakPolarHBondContact OE1-CE 3.49Å; E312-K363 IonicContact OE1-NZ 3.67Å; E312-K363 PolarHBondContact OE1-NZ 2.89Å
313G78.9Confident93.1Very high60 Ų6042.3 Ų42.362%0.61927%0.271SS*.SBendtrans85.2-129.8175.500000112.1
314T76.6Confident93.4Very high82 Ų8243.8 Ų43.850%0.50327%0.273SS..SBendtrans-130.1145.4-171.666.70000113.1E317 K368T314-E317 PolarHBondContact O-N 2.99Å; T314-K368 PolarHBondContact O-NZ 2.86Å
315N78.6Confident93.5Very high102 Ų10240.6 Ų40.655%0.54525%0.251SS..THydrogen-bonded Turntrans38.479.7169.8-61.533.7000114.1E317 K368N315-E317 PolarHBondContact O-N 3.08Å; N315-K368 VanDerWaalsContact O-CE 3.3Å; N315-K368 WeakPolarHBondContact O-CE 3.28Å; N315-K368 PolarHBondContact O-NZ 2.84Å; N315-K368 VanDerWaalsContact O-NZ 3.16Å
316G89.1Confident93.7Very high0 Ų039.6 Ų39.60%025%0.246CC..THydrogen-bonded Turntrans80.85.6173.100000116.1K368 F369G316-K368 WeakPolarHBondContact O-CA 3.45Å; G316-F369 PolarHBondContact O-N 2.88Å
317E95.6Very high93.8Very high38 Ų3838 Ų3818%0.17823%0.232CC..EExtended strand (participates in β ladder)trans-76.8132.3169.9-80.2170.1-139.200111.8E312 T314 N315 V360 K363 Y367 K368E312-E317 PolarHBondContact N-O 3.44Å; E312-E317 CarbonylContact O-C 3.35Å; E312-E317 WeakPolarHBondContact O-CB 3.27Å; T314-E317 PolarHBondContact O-N 2.99Å; N315-E317 PolarHBondContact O-N 3.08Å; E317-V360 HydrophobicContact CG-CG2 4Å; E317-K363 IonicContact OE2-NZ 2.61Å; E317-Y367 CarbonylContact C-O 3.56Å; E317-Y367 WeakPolarHBondContact CA-O 3.27Å; E317-K368 HydrophobicContact CG-CB 3.82Å; E317-K368 HydrophobicContact CG-CD 3.72Å; E317-K368 HydrophobicContact CG-CG 3.67Å; E317-K368 IonicContact OE1-NZ 3.51Å; E317-K368 PolarHBondContact OE1-NZ 2.99Å
318F97.2Very high93.9Very high2 Ų240 Ų401%0.00922%0.219CC..EExtended strand (participates in β ladder)trans-142.1163.3178.571.9-87.2000111.3L296 L300 I309 T310 W311 M320 A366 Y367 F369L296-F318 HydrophobicContact CD1-CE2 4.41Å; L296-F318 HydrophobicContact CD1-CZ 4.19Å; L300-F318 HydrophobicContact CD1-CB 3.74Å; L300-F318 HydrophobicContact CD1-CD1 4.09Å; L300-F318 HydrophobicContact CD1-CD2 3.82Å; L300-F318 HydrophobicContact CD1-CE2 4.4Å; L300-F318 HydrophobicContact CD1-CG 3.63Å; L300-F318 HydrophobicContact CD2-CB 4.1Å; I309-F318 HydrophobicContact CD1-CD2 3.95Å; I309-F318 HydrophobicContact CD1-CE2 3.98Å; I309-F318 HydrophobicContact CG1-CD2 4.07Å; T310-F318 CarbonylContact O-C 3.43Å; T310-F318 WeakPolarHBondContact O-CA 3.4Å; T310-F318 WeakPolarHBondContact O-CB 3.39Å; W311-F318 HydrophobicContact CE3-CB 3.92Å; W311-F318 HydrophobicContact CZ3-CB 4.12Å; W311-F318 HydrophobicContact CZ3-CD1 4.4Å; F318-M320 HydrophobicContact CE2-CE 4.08Å; F318-A366 CarbonylContact O-C 3.55Å; F318-A366 VanDerWaalsContact O-CA 3.27Å; F318-A366 WeakPolarHBondContact O-CA 3.21Å; F318-Y367 WeakPolarHBondContact CD1-O 3.22Å; F318-Y367 HydrophobicContact CE2-CD2 4.38Å; F318-Y367 VanDerWaalsContact CZ-CB 3.49Å; F318-Y367 HydrophobicContact CZ-CD2 4.47Å; F318-Y367 HydrophobicContact CZ-CG 4.24Å; F318-Y367 PolarHBondContact N-O 3.1Å; F318-Y367 PolarHBondContact O-N 3.29Å; F318-Y367 VanDerWaalsContact O-O 3.13Å; F318-F369 AromaticContact CD1-CD2 3.61Å; F318-F369 HydrophobicContact CD1-CD2 3.61Å; F318-F369 AromaticContact CD1-CE2 3.44Å; F318-F369 HydrophobicContact CD1-CE2 3.44Å; F318-F369 VanDerWaalsContact CD1-CE2 3.44Å; F318-F369 HydrophobicContact CD1-CZ 4.28Å; F318-F369 HydrophobicContact CE1-CD1 4.46Å; F318-F369 AromaticContact CE1-CD2 3.54Å; F318-F369 HydrophobicContact CE1-CD2 3.54Å; F318-F369 HydrophobicContact CE1-CE1 4.24Å; F318-F369 AromaticContact CE1-CE2 3.23Å; F318-F369 HydrophobicContact CE1-CE2 3.23Å; F318-F369 HydrophobicContact CE1-CG 4.17Å; F318-F369 AromaticContact CE1-CZ 3.64Å; F318-F369 HydrophobicContact CE1-CZ 3.64Å; F318-F369 HydrophobicContact CG-CE2 4.34Å; F318-F369 HydrophobicContact CZ-CE2 4.01Å; F318-F369 HydrophobicContact CZ-CZ 4.03Å
319K97.1Very high93.9Very high62 Ų6243.2 Ų43.227%0.2723%0.231SC..EExtended strand (participates in β ladder)trans-131153171.162.9171.6167.6-153.40111.7I309 T310 E312 T321 Y365 A366I309-K319 WeakPolarHBondContact CA-O 3.38Å; I309-K319 WeakPolarHBondContact CG1-O 3.29Å; T310-K319 HydrophobicContact CG2-CD 4.22Å; T310-K319 VanDerWaalsContact CG2-CE 3.42Å; T310-K319 HydrophobicContact CG2-CG 3.74Å; T310-K319 PolarHBondContact N-O 3.34Å; T310-K319 PolarHBondContact O-N 2.9Å; E312-K319 HydrophobicContact CB-CG 4.43Å; E312-K319 VanDerWaalsContact OE2-CD 3.23Å; E312-K319 WeakPolarHBondContact OE2-CD 3.35Å; E312-K319 WeakPolarHBondContact OE2-CE 3.38Å; E312-K319 IonicContact OE2-NZ 2.69Å; E312-K319 PolarHBondContact OE2-NZ 3.34Å; K319-T321 HydrophobicContact CD-CG2 4.05Å; K319-T321 HydrophobicContact CG-CG2 4.41Å; K319-Y365 WeakPolarHBondContact CA-O 3.17Å; K319-A366 HydrophobicContact CB-CB 4.28Å
320M98.1Very high93.9Very high4 Ų444.5 Ų44.52%0.0224%0.235CC..EExtended strand (participates in β ladder)trans-91113.1162.1-53.9172.9-175.600107.8L296 C308 I309 F318 P323 V326 Y341 L344 L348 Y365L296-M320 HydrophobicContact CD1-CE 3.95Å; L296-M320 HydrophobicContact CD2-CE 3.8Å; C308-M320 CarbonylContact O-C 3.6Å; C308-M320 WeakPolarHBondContact O-CA 3.43Å; I309-M320 HydrophobicContact CD1-CG 4.24Å; I309-M320 HydrophobicContact CG1-CG 4.21Å; F318-M320 HydrophobicContact CE2-CE 4.08Å; M320-P323 HydrophobicContact CB-CB 4.17Å; M320-V326 HydrophobicContact CB-CG2 4.35Å; M320-V326 HydrophobicContact CE-CG1 4.08Å; M320-V326 HydrophobicContact CG-CG1 4.4Å; M320-V326 HydrophobicContact CG-CG2 4.24Å; M320-V326 HydrophobicContact SD-CB 4.29Å; M320-V326 HydrophobicContact SD-CG1 3.89Å; M320-Y341 HydrophobicContact SD-CD2 4.36Å; M320-Y341 HydrophobicContact SD-CE2 4.05Å; M320-L344 HydrophobicContact CE-CD2 3.96Å; M320-L344 HydrophobicContact SD-CD2 4.37Å; M320-L348 HydrophobicContact CE-CD1 3.89Å; M320-Y365 PolarHBondContact N-O 2.73Å; M320-Y365 WeakPolarHBondContact O-CB 3.36Å
321T97.8Very high93.9Very high66 Ų6643.6 Ų43.641%0.40523%0.23SC..SBendtrans-75.3-38.4174.231.20000110.8A306 G307 C308 I309 T310 K319A306-T321 PolarHBondContact O-OG1 3.08Å; G307-T321 PolarHBondContact O-OG1 3.18Å; C308-T321 VanDerWaalsContact CA-OG1 3.29Å; C308-T321 WeakPolarHBondContact CA-OG1 3.21Å; C308-T321 PolarHBondContact N-OG1 3.3Å; C308-T321 PolarHBondContact O-N 3.4Å; C308-T321 PolarHBondContact O-OG1 3.46Å; I309-T321 PolarHBondContact N-OG1 3.38Å; T310-T321 HydrophobicContact CG2-CG2 4.15Å; K319-T321 HydrophobicContact CD-CG2 4.05Å; K319-T321 HydrophobicContact CG-CG2 4.41Å
322D98.1Very high93.9Very high69 Ų6949.1 Ų49.137%0.36926%0.257SS..SBendtrans-121.694.2166.7-172.8-23.8000108.9C308 D324 E325 V326C308-D322 HydrophobicContact CB-CB 3.86Å; C308-D322 PolarHBondContact O-N 2.92Å; C308-D322 VanDerWaalsContact O-N 3.1Å; D322-D324 PolarHBondContact O-N 3.46Å; D322-D324 PolarHBondContact OD1-N 3.17Å; D322-E325 HydrophobicContact CB-CB 4.02Å; D322-E325 VanDerWaalsContact CG-CB 3.48Å; D322-E325 PolarHBondContact OD1-N 2.91Å; D322-V326 WeakPolarHBondContact O-CG2 3.24Å; D322-V326 PolarHBondContact O-N 3.34Å
323P98Very high94.2Very high12 Ų1250 Ų508%0.07826%0.257CS..Hα-helixtrans-67.9-20.3-17928-34.8000113.6M320 A327 Y341 Y365M320-P323 HydrophobicContact CB-CB 4.17Å; P323-A327 WeakPolarHBondContact O-CB 3.34Å; P323-A327 PolarHBondContact O-N 3.46Å; P323-A327 VanDerWaalsContact O-N 3.15Å; P323-Y341 HydrophobicContact CB-CD2 3.46Å; P323-Y341 VanDerWaalsContact CB-CD2 3.46Å; P323-Y341 HydrophobicContact CB-CE2 3.97Å; P323-Y341 HydrophobicContact CB-CG 3.86Å; P323-Y365 HydrophobicContact CB-CD1 3.89Å; P323-Y365 HydrophobicContact CB-CE1 4.13Å; P323-Y365 HydrophobicContact CB-CG 4.26Å; P323-Y365 HydrophobicContact CG-CD1 3.99Å; P323-Y365 HydrophobicContact CG-CD2 4.24Å; P323-Y365 HydrophobicContact CG-CE1 3.88Å; P323-Y365 HydrophobicContact CG-CE2 4.14Å; P323-Y365 HydrophobicContact CG-CG 4.18Å
324D98.3Very high94.8Very high98 Ų9849.5 Ų49.552%0.52424%0.238SC..Hα-helixtrans-89-35.5-177.9-72.1-51.5000111.4D322 A327 R328D322-D324 PolarHBondContact O-N 3.46Å; D322-D324 PolarHBondContact OD1-N 3.17Å; D324-A327 CarbonylContact O-C 3.47Å; D324-A327 PolarHBondContact O-N 3.4Å; D324-R328 WeakPolarHBondContact O-CB 3.35Å; D324-R328 PolarHBondContact O-N 3.38Å
325E98.3Very high95.7Very high42 Ų4250.9 Ų50.920%0.19625%0.251CS..Hα-helixtrans-64.8-39.7167.2173.159.4-173.100111.7C308 D322 A327 R328 R329C308-E325 HydrophobicContact CB-CB 3.96Å; C308-E325 HydrophobicContact CB-CG 3.72Å; D322-E325 HydrophobicContact CB-CB 4.02Å; D322-E325 VanDerWaalsContact CG-CB 3.48Å; D322-E325 PolarHBondContact OD1-N 2.91Å; E325-A327 VanDerWaalsContact C-N 3.29Å; E325-A327 PolarHBondContact O-N 2.93Å; E325-R328 PolarHBondContact O-N 3.27Å; E325-R328 IonicContact OE1-CZ 2.89Å; E325-R328 IonicContact OE1-NE 3.96Å; E325-R328 IonicContact OE1-NH2 3.55Å; E325-R328 PolarHBondContact OE1-NH2 2.67Å; E325-R328 IonicContact OE2-CZ 3.79Å; E325-R328 IonicContact OE2-NE 3.23Å; E325-R328 PolarHBondContact OE2-NE 3.45Å; E325-R328 IonicContact OE2-NH2 2.68Å; E325-R328 PolarHBondContact OE2-NH2 2.62Å; E325-R329 WeakPolarHBondContact O-CG 3.41Å; E325-R329 PolarHBondContact O-N 3.01Å; E325-R329 WeakPolarHBondContact OE1-CG 3.28Å; E325-R329 IonicContact OE1-CZ 2.74Å; E325-R329 IonicContact OE1-NE 2.73Å; E325-R329 PolarHBondContact OE1-NE 2.95Å; E325-R329 IonicContact OE1-NH2 3.53Å; E325-R329 PolarHBondContact OE1-NH2 3.27Å
326V98.4Very high96.5Very high0 Ų051.8 Ų51.80%025%0.25CS..Hα-helixtrans-60.8-40.9171.7173.60000110.9L296 C308 I309 M320 D322 W330 L344L296-V326 HydrophobicContact CD2-CG1 3.72Å; C308-V326 HydrophobicContact CB-CG2 4Å; C308-V326 WeakPolarHBondContact O-CG2 3.2Å; I309-V326 HydrophobicContact CB-CG2 3.86Å; I309-V326 HydrophobicContact CG2-CG2 4.4Å; M320-V326 HydrophobicContact CB-CG2 4.35Å; M320-V326 HydrophobicContact CE-CG1 4.08Å; M320-V326 HydrophobicContact CG-CG1 4.4Å; M320-V326 HydrophobicContact CG-CG2 4.24Å; M320-V326 HydrophobicContact SD-CB 4.29Å; M320-V326 HydrophobicContact SD-CG1 3.89Å; D322-V326 WeakPolarHBondContact O-CG2 3.24Å; D322-V326 PolarHBondContact O-N 3.34Å; V326-W330 WeakPolarHBondContact O-CB 3.24Å; V326-W330 PolarHBondContact O-N 3.46Å; V326-L344 HydrophobicContact CG1-CD1 4.06Å
327A98.4Very high96.6Very high1 Ų157.4 Ų57.41%0.00829%0.287CS..Hα-helixtrans-69.1-36.2175.600000113.2P323 D324 E325 W330 G331 M339 L344P323-A327 WeakPolarHBondContact O-CB 3.34Å; P323-A327 PolarHBondContact O-N 3.46Å; P323-A327 VanDerWaalsContact O-N 3.15Å; D324-A327 CarbonylContact O-C 3.47Å; D324-A327 PolarHBondContact O-N 3.4Å; E325-A327 VanDerWaalsContact C-N 3.29Å; E325-A327 PolarHBondContact O-N 2.93Å; A327-W330 PolarHBondContact O-N 3.45Å; A327-G331 PolarHBondContact O-N 3.08Å; A327-M339 HydrophobicContact CB-CG 4.44Å; A327-M339 WeakPolarHBondContact O-CG 3.49Å; A327-L344 HydrophobicContact CB-CB 4.46Å; A327-L344 HydrophobicContact CB-CD1 4.14Å
328R98.2Very high96.7Very high110 Ų11062 Ų6242%0.41531%0.313SS..Hα-helixtrans-63.6-50.2174.9-168.7-160.563.267.97110.7D324 E325 W330 G331 E332D324-R328 WeakPolarHBondContact O-CB 3.35Å; D324-R328 PolarHBondContact O-N 3.38Å; E325-R328 PolarHBondContact O-N 3.27Å; E325-R328 IonicContact OE1-CZ 2.89Å; E325-R328 IonicContact OE1-NE 3.96Å; E325-R328 IonicContact OE1-NH2 3.55Å; E325-R328 PolarHBondContact OE1-NH2 2.67Å; E325-R328 IonicContact OE2-CZ 3.79Å; E325-R328 IonicContact OE2-NE 3.23Å; E325-R328 PolarHBondContact OE2-NE 3.45Å; E325-R328 IonicContact OE2-NH2 2.68Å; E325-R328 PolarHBondContact OE2-NH2 2.62Å; R328-W330 VanDerWaalsContact C-N 3.31Å; R328-W330 PolarHBondContact O-N 2.87Å; R328-G331 CarbonylContact O-C 3.42Å; R328-G331 WeakPolarHBondContact O-CA 3.44Å; R328-G331 PolarHBondContact O-N 3.12Å; R328-G331 VanDerWaalsContact O-N 3.09Å; R328-E332 IonicContact CZ-OE2 3.79Å; R328-E332 IonicContact NH1-OE1 2.72Å; R328-E332 IonicContact NH1-OE2 3.72Å; R328-E332 PolarHBondContact NH1-OE2 3.25Å; R328-E332 IonicContact NH2-OE2 3.88Å; R328-E332 WeakPolarHBondContact O-CB 3.27Å; R328-E332 PolarHBondContact O-N 3.19Å
329R97.4Very high96.7Very high72 Ų7263.5 Ų63.527%0.27232%0.32SS..Hα-helixtrans-61.8-36.4176.4-69.2-176.2-175.2-1605.9112.6F295 N305 E325 R333F295-R329 HydrophobicContact CE2-CB 4.48Å; F295-R329 HydrophobicContact CZ-CB 3.77Å; N305-R329 PolarHBondContact OD1-NH1 3.13Å; E325-R329 WeakPolarHBondContact O-CG 3.41Å; E325-R329 PolarHBondContact O-N 3.01Å; E325-R329 WeakPolarHBondContact OE1-CG 3.28Å; E325-R329 IonicContact OE1-CZ 2.74Å; E325-R329 IonicContact OE1-NE 2.73Å; E325-R329 PolarHBondContact OE1-NE 2.95Å; E325-R329 IonicContact OE1-NH2 3.53Å; E325-R329 PolarHBondContact OE1-NH2 3.27Å; R329-R333 VanDerWaalsContact O-CB 3.28Å; R329-R333 WeakPolarHBondContact O-CB 3.39Å; R329-R333 PolarHBondContact O-N 3.46Å
330W96.8Very high96.8Very high26 Ų2662.9 Ų62.910%0.09832%0.32CS..Hα-helixtrans-68.3-37.7172.5177.6-123.7000112.4I290 L292 F295 V326 A327 R328 K334 L344I290-W330 HydrophobicContact CG2-CZ3 4.31Å; I290-W330 WeakPolarHBondContact O-CH2 3.33Å; L292-W330 HydrophobicContact CB-CH2 3.9Å; L292-W330 HydrophobicContact CB-CZ2 3.75Å; L292-W330 HydrophobicContact CB-CZ3 4.43Å; L292-W330 HydrophobicContact CD1-CD2 3.76Å; L292-W330 HydrophobicContact CD1-CE3 4.12Å; L292-W330 HydrophobicContact CD1-CG 4.02Å; L292-W330 HydrophobicContact CD1-CZ2 4.33Å; F295-W330 HydrophobicContact CB-CE3 3.9Å; F295-W330 HydrophobicContact CB-CZ3 3.74Å; F295-W330 HydrophobicContact CD1-CB 4.27Å; F295-W330 HydrophobicContact CD1-CD2 4.26Å; F295-W330 AromaticContact CD1-CE3 3.55Å; F295-W330 HydrophobicContact CD1-CE3 3.55Å; F295-W330 HydrophobicContact CD1-CZ3 4.27Å; F295-W330 HydrophobicContact CD2-CE3 4.17Å; F295-W330 HydrophobicContact CE1-CB 3.69Å; F295-W330 HydrophobicContact CE1-CE3 4.09Å; F295-W330 HydrophobicContact CE1-CG 4.44Å; F295-W330 AromaticContact CG-CE3 3.59Å; F295-W330 HydrophobicContact CG-CE3 3.59Å; F295-W330 AromaticContact CG-CZ3 3.96Å; F295-W330 HydrophobicContact CG-CZ3 3.96Å; F295-W330 HydrophobicContact CZ-CB 4.12Å; V326-W330 WeakPolarHBondContact O-CB 3.24Å; V326-W330 PolarHBondContact O-N 3.46Å; A327-W330 PolarHBondContact O-N 3.45Å; R328-W330 VanDerWaalsContact C-N 3.31Å; R328-W330 PolarHBondContact O-N 2.87Å; W330-K334 HydrophobicContact CD2-CG 3.93Å; W330-K334 HydrophobicContact CE3-CD 4.27Å; W330-K334 HydrophobicContact CE3-CG 3.79Å; W330-K334 HydrophobicContact CH2-CD 3.58Å; W330-K334 HydrophobicContact CH2-CG 3.6Å; W330-K334 HydrophobicContact CZ2-CD 4.17Å; W330-K334 HydrophobicContact CZ2-CG 3.73Å; W330-K334 HydrophobicContact CZ3-CD 3.65Å; W330-K334 HydrophobicContact CZ3-CG 3.64Å; W330-K334 WeakPolarHBondContact O-CG 3.39Å; W330-K334 PolarHBondContact O-N 3Å; W330-L344 HydrophobicContact CB-CD1 3.77Å; W330-L344 HydrophobicContact CG-CD1 3.97Å
331G96.5Very high96.8Very high2 Ų264.5 Ų64.52%0.02133%0.326CS..Hα-helixtrans-59.6-52171.900000111.6A327 R328 K334 S335 K336 M339A327-G331 PolarHBondContact O-N 3.08Å; R328-G331 CarbonylContact O-C 3.42Å; R328-G331 WeakPolarHBondContact O-CA 3.44Å; R328-G331 PolarHBondContact O-N 3.12Å; R328-G331 VanDerWaalsContact O-N 3.09Å; G331-K334 CarbonylContact O-C 3.54Å; G331-K334 PolarHBondContact O-N 3.13Å; G331-S335 PolarHBondContact O-N 3.01Å; G331-K336 WeakPolarHBondContact CA-O 3.44Å; G331-K336 PolarHBondContact O-N 3.33Å; G331-M339 VanDerWaalsContact CA-CB 3.47Å
332E95.6Very high96.8Very high127 Ų12766.4 Ų66.459%0.59333%0.334SS*.Hα-helixtrans-54.1-52.7174.1179.9165.6-128.900111.7R328 K334 S335R328-E332 IonicContact CZ-OE2 3.79Å; R328-E332 IonicContact NH1-OE1 2.72Å; R328-E332 IonicContact NH1-OE2 3.72Å; R328-E332 PolarHBondContact NH1-OE2 3.25Å; R328-E332 IonicContact NH2-OE2 3.88Å; R328-E332 WeakPolarHBondContact O-CB 3.27Å; R328-E332 PolarHBondContact O-N 3.19Å; E332-K334 PolarHBondContact O-N 3.22Å; E332-S335 PolarHBondContact O-N 3.47Å
333R94.6Very high96.8Very high75 Ų7568.6 Ų68.628%0.28334%0.34SS..Hα-helixtrans-58.8-22.8178.4-175.757.764.684.75.8114.4I290 F295 E298 R329I290-R333 HydrophobicContact CG2-CG 3.74Å; F295-R333 HydrophobicContact CD2-CB 4.23Å; F295-R333 HydrophobicContact CD2-CG 3.93Å; F295-R333 HydrophobicContact CE2-CB 4.02Å; F295-R333 HydrophobicContact CE2-CG 4.2Å; E298-R333 IonicContact OE1-CZ 2.67Å; E298-R333 VanDerWaalsContact OE1-CZ 3.23Å; E298-R333 IonicContact OE1-NH1 3.4Å; E298-R333 PolarHBondContact OE1-NH1 3.1Å; E298-R333 IonicContact OE1-NH2 3.58Å; E298-R333 PolarHBondContact OE1-NH2 3.44Å; E298-R333 IonicContact OE2-CZ 2.79Å; E298-R333 IonicContact OE2-NH1 3.27Å; E298-R333 PolarHBondContact OE2-NH1 3.4Å; E298-R333 IonicContact OE2-NH2 2.7Å; R329-R333 VanDerWaalsContact O-CB 3.28Å; R329-R333 WeakPolarHBondContact O-CB 3.39Å; R329-R333 PolarHBondContact O-N 3.46Å
334K92.9Very high96.8Very high49 Ų4968 Ų6821%0.21334%0.336CS..THydrogen-bonded Turntrans-118.814.9-177.6-53.2-60.8-73.6-170.80113.5G288 Q289 I290 W330 G331 E332 K336G288-K334 PolarHBondContact O-NZ 3.39Å; Q289-K334 VanDerWaalsContact C-NZ 3.27Å; Q289-K334 PolarHBondContact O-NZ 2.97Å; I290-K334 HydrophobicContact CG2-CD 4.38Å; I290-K334 PolarHBondContact O-NZ 3.08Å; W330-K334 HydrophobicContact CD2-CG 3.93Å; W330-K334 HydrophobicContact CE3-CD 4.27Å; W330-K334 HydrophobicContact CE3-CG 3.79Å; W330-K334 HydrophobicContact CH2-CD 3.58Å; W330-K334 HydrophobicContact CH2-CG 3.6Å; W330-K334 HydrophobicContact CZ2-CD 4.17Å; W330-K334 HydrophobicContact CZ2-CG 3.73Å; W330-K334 HydrophobicContact CZ3-CD 3.65Å; W330-K334 HydrophobicContact CZ3-CG 3.64Å; W330-K334 WeakPolarHBondContact O-CG 3.39Å; W330-K334 PolarHBondContact O-N 3Å; G331-K334 CarbonylContact O-C 3.54Å; G331-K334 PolarHBondContact O-N 3.13Å; E332-K334 PolarHBondContact O-N 3.22Å; K334-K336 VanDerWaalsContact C-N 3.26Å; K334-K336 HydrophobicContact CB-CD 4.25Å; K334-K336 WeakPolarHBondContact O-CG 3.45Å; K334-K336 PolarHBondContact O-N 3.23Å
335S94.1Very high96.8Very high111 Ų11163.4 Ų63.478%0.77631%0.311SS*.THydrogen-bonded Turntrans50.340.2-176.8-540000114.4G331 E332 P337G331-S335 PolarHBondContact O-N 3.01Å; E332-S335 PolarHBondContact O-N 3.47Å; S335-P337 WeakPolarHBondContact O-CD 3.33Å
336K95.1Very high96.7Very high121 Ų12166.8 Ų66.853%0.52632%0.322SS..  trans-11884.2-178.6-76.4170.3-175.1-1770109.8G331 K334 N338 M339G331-K336 WeakPolarHBondContact CA-O 3.44Å; G331-K336 PolarHBondContact O-N 3.33Å; K334-K336 VanDerWaalsContact C-N 3.26Å; K334-K336 HydrophobicContact CB-CD 4.25Å; K334-K336 WeakPolarHBondContact O-CG 3.45Å; K334-K336 PolarHBondContact O-N 3.23Å; K336-N338 PolarHBondContact O-N 3.37Å; K336-M339 HydrophobicContact CB-CE 4.03Å; K336-M339 HydrophobicContact CD-CE 3.87Å; K336-M339 VanDerWaalsContact O-CB 3.32Å; K336-M339 WeakPolarHBondContact O-CB 3.36Å; K336-M339 PolarHBondContact O-N 3.2Å; K336-M339 VanDerWaalsContact O-N 3.16Å
337P93.1Very high96.6Very high119 Ų11968.2 Ų68.277%0.77333%0.334SS*.THydrogen-bonded Turntrans-62.3-31.3-175.824.3-34.2000112.9S335 M339S335-P337 WeakPolarHBondContact O-CD 3.33Å; P337-M339 PolarHBondContact O-N 2.97Å; P337-M339 VanDerWaalsContact O-N 3.14Å
338N96.2Very high96.5Very high134 Ų13468.1 Ų68.172%0.71733%0.334SS*.THydrogen-bonded Turntrans-8431.2177-63.2-29000113.1K336 K343K336-N338 PolarHBondContact O-N 3.37Å; N338-K343 WeakPolarHBondContact O-CD 3.41Å; N338-K343 PolarHBondContact O-NZ 2.85Å
339M98.1Very high96.5Very high33 Ų3368.3 Ų68.316%0.16334%0.335CS..  trans-80143.4172.5-169.761.668.400110.3A327 G331 K336 P337 K343A327-M339 HydrophobicContact CB-CG 4.44Å; A327-M339 WeakPolarHBondContact O-CG 3.49Å; G331-M339 VanDerWaalsContact CA-CB 3.47Å; K336-M339 HydrophobicContact CB-CE 4.03Å; K336-M339 HydrophobicContact CD-CE 3.87Å; K336-M339 VanDerWaalsContact O-CB 3.32Å; K336-M339 WeakPolarHBondContact O-CB 3.36Å; K336-M339 PolarHBondContact O-N 3.2Å; K336-M339 VanDerWaalsContact O-N 3.16Å; P337-M339 PolarHBondContact O-N 2.97Å; P337-M339 VanDerWaalsContact O-N 3.14Å; M339-K343 HydrophobicContact SD-CB 3.8Å
340N98.3Very high96.4Very high50 Ų5071.6 Ų71.627%0.26735%0.348SS..  trans-150.3171.2174.974.1-20.3000110.1D342 K343 L344N340-D342 VanDerWaalsContact C-N 3.28Å; N340-D342 PolarHBondContact ND2-OD2 2.89Å; N340-D342 PolarHBondContact O-N 2.86Å; N340-K343 PolarHBondContact O-N 3.02Å; N340-K343 WeakPolarHBondContact OD1-CB 3.27Å; N340-K343 VanDerWaalsContact OD1-CD 3.27Å; N340-K343 WeakPolarHBondContact OD1-CD 3.37Å; N340-K343 VanDerWaalsContact OD1-CG 3.22Å; N340-K343 WeakPolarHBondContact OD1-CG 3.38Å; N340-K343 PolarHBondContact OD1-N 2.71Å; N340-K343 VanDerWaalsContact OD1-N 3.1Å; N340-L344 PolarHBondContact O-N 3.24Å
341Y98.3Very high96.5Very high38 Ų3871.7 Ų71.715%0.14935%0.348CS..Hα-helixtrans-60.1-32.2-177.9177-99.2000113.8M320 P323 K343 L344 S345 Y365 Y367M320-Y341 HydrophobicContact SD-CD2 4.36Å; M320-Y341 HydrophobicContact SD-CE2 4.05Å; P323-Y341 HydrophobicContact CB-CD2 3.46Å; P323-Y341 VanDerWaalsContact CB-CD2 3.46Å; P323-Y341 HydrophobicContact CB-CE2 3.97Å; P323-Y341 HydrophobicContact CB-CG 3.86Å; Y341-K343 PolarHBondContact O-N 3.11Å; Y341-L344 PolarHBondContact O-N 3.26Å; Y341-S345 WeakPolarHBondContact O-CB 3.16Å; Y341-S345 PolarHBondContact O-N 3.37Å; Y341-S345 PolarHBondContact O-OG 3.15Å; Y341-Y365 HydrophobicContact CD1-CE1 4.09Å; Y341-Y365 AromaticContact CE1-CD1 3.87Å; Y341-Y365 HydrophobicContact CE1-CD1 3.87Å; Y341-Y365 AromaticContact CE1-CE1 3.68Å; Y341-Y365 HydrophobicContact CE1-CE1 3.68Å; Y341-Y365 AromaticContact CE2-CD1 3.87Å; Y341-Y365 HydrophobicContact CE2-CD1 3.87Å; Y341-Y365 HydrophobicContact CE2-CE1 4.38Å; Y341-Y365 AromaticContact CZ-CD1 3.5Å; Y341-Y365 AromaticContact CZ-CE1 3.84Å; Y341-Y367 PolarHBondContact OH-OH 3.35Å; Y341-Y367 VanDerWaalsContact OH-OH 3.08Å
342D97.8Very high96.4Very high106 Ų10674.7 Ų74.757%0.56736%0.36SS*.Hα-helixtrans-62.7-45.3176.2-63-62.6000112.3N340 S345 R346N340-D342 VanDerWaalsContact C-N 3.28Å; N340-D342 PolarHBondContact ND2-OD2 2.89Å; N340-D342 PolarHBondContact O-N 2.86Å; D342-S345 PolarHBondContact O-OG 2.87Å; D342-R346 WeakPolarHBondContact O-CB 3.35Å; D342-R346 PolarHBondContact O-N 2.77Å
343K97.7Very high96.3Very high114 Ų11475.6 Ų75.650%0.49637%0.368SS..Hα-helixtrans-67.9-42.5177.5-69.3161.9-171.7157.50111.5N338 M339 N340 Y341 R346 A347N338-K343 WeakPolarHBondContact O-CD 3.41Å; N338-K343 PolarHBondContact O-NZ 2.85Å; M339-K343 HydrophobicContact SD-CB 3.8Å; N340-K343 PolarHBondContact O-N 3.02Å; N340-K343 WeakPolarHBondContact OD1-CB 3.27Å; N340-K343 VanDerWaalsContact OD1-CD 3.27Å; N340-K343 WeakPolarHBondContact OD1-CD 3.37Å; N340-K343 VanDerWaalsContact OD1-CG 3.22Å; N340-K343 WeakPolarHBondContact OD1-CG 3.38Å; N340-K343 PolarHBondContact OD1-N 2.71Å; N340-K343 VanDerWaalsContact OD1-N 3.1Å; Y341-K343 PolarHBondContact O-N 3.11Å; K343-R346 PolarHBondContact O-N 3.07Å; K343-A347 PolarHBondContact O-N 3Å
344L98.3Very high96.1Very high0 Ų077.7 Ų77.70%038%0.38CS..Hα-helixtrans-63.6-50.6176.5-172.3154.3000110.8L292 M320 V326 A327 W330 N340 Y341 R346 A347 L348L292-L344 HydrophobicContact CD1-CD1 4.09Å; L292-L344 HydrophobicContact CD1-CD2 4.33Å; L292-L344 HydrophobicContact CD1-CG 3.99Å; L292-L344 HydrophobicContact CD2-CD2 4.19Å; L292-L344 HydrophobicContact CD2-CG 4.04Å; M320-L344 HydrophobicContact CE-CD2 3.96Å; M320-L344 HydrophobicContact SD-CD2 4.37Å; V326-L344 HydrophobicContact CG1-CD1 4.06Å; A327-L344 HydrophobicContact CB-CB 4.46Å; A327-L344 HydrophobicContact CB-CD1 4.14Å; W330-L344 HydrophobicContact CB-CD1 3.77Å; W330-L344 HydrophobicContact CG-CD1 3.97Å; N340-L344 PolarHBondContact O-N 3.24Å; Y341-L344 PolarHBondContact O-N 3.26Å; L344-R346 PolarHBondContact O-N 2.97Å; L344-A347 WeakPolarHBondContact O-CA 2.99Å; L344-A347 WeakPolarHBondContact O-CB 3.31Å; L344-A347 PolarHBondContact O-N 3.27Å; L344-L348 HydrophobicContact CD2-CD1 3.72Å; L344-L348 HydrophobicContact CD2-CD2 4.21Å; L344-L348 HydrophobicContact CD2-CG 3.9Å; L344-L348 PolarHBondContact O-N 2.94Å
345S98Very high96.2Very high1 Ų179.8 Ų79.81%0.00739%0.393CS..Hα-helixtrans-65.3-25.7178.571.70000112.6Y341 D342 A347 L348 R349Y341-S345 WeakPolarHBondContact O-CB 3.16Å; Y341-S345 PolarHBondContact O-N 3.37Å; Y341-S345 PolarHBondContact O-OG 3.15Å; D342-S345 PolarHBondContact O-OG 2.87Å; S345-A347 VanDerWaalsContact C-N 3.27Å; S345-A347 PolarHBondContact O-N 3.5Å; S345-L348 PolarHBondContact O-N 2.98Å; S345-R349 WeakPolarHBondContact O-CG 3.43Å; S345-R349 PolarHBondContact O-N 2.76Å; S345-R349 VanDerWaalsContact O-N 3.12Å; S345-R349 PolarHBondContact O-NH1 3.43Å; S345-R349 PolarHBondContact OG-NH1 3.4Å
346R97.8Very high96.3Very high113 Ų11374.5 Ų74.543%0.42636%0.356SS..Hα-helixtrans-65.8-32.3171.4-176.361.8-167.693-12.3111.8D342 K343 L344 Y350D342-R346 WeakPolarHBondContact O-CB 3.35Å; D342-R346 PolarHBondContact O-N 2.77Å; K343-R346 PolarHBondContact O-N 3.07Å; L344-R346 PolarHBondContact O-N 2.97Å; R346-Y350 VanDerWaalsContact NH2-CE1 3.25Å; R346-Y350 PolarHBondContact NH2-OH 3.45Å; R346-Y350 WeakPolarHBondContact O-CD2 3.45Å
347A94.8Very high96.3Very high30 Ų3068.8 Ų68.825%0.24833%0.331CS..Hα-helixtrans-73.3-41171.300000112.3L292 K343 L344 S345 R349 Y350L292-A347 HydrophobicContact CD2-CB 3.64Å; K343-A347 PolarHBondContact O-N 3Å; L344-A347 WeakPolarHBondContact O-CA 2.99Å; L344-A347 WeakPolarHBondContact O-CB 3.31Å; L344-A347 PolarHBondContact O-N 3.27Å; S345-A347 VanDerWaalsContact C-N 3.27Å; S345-A347 PolarHBondContact O-N 3.5Å; A347-R349 VanDerWaalsContact C-N 3.25Å; A347-R349 PolarHBondContact O-N 3.23Å; A347-Y350 WeakPolarHBondContact O-CB 3.44Å; A347-Y350 PolarHBondContact O-N 3.37Å
348L97.8Very high96.5Very high0 Ų066.3 Ų66.30%031%0.314CS..Hα-helixtrans-56.7-38.6174.9-57.3179000112.5L292 L296 M320 L344 S345 Y350 Y351 Y352 M357 Y367L292-L348 HydrophobicContact CD2-CD2 3.53Å; L292-L348 HydrophobicContact CD2-CG 4.13Å; L292-L348 HydrophobicContact CG-CD2 3.97Å; L296-L348 HydrophobicContact CD1-CD2 3.66Å; M320-L348 HydrophobicContact CE-CD1 3.89Å; L344-L348 HydrophobicContact CD2-CD1 3.72Å; L344-L348 HydrophobicContact CD2-CD2 4.21Å; L344-L348 HydrophobicContact CD2-CG 3.9Å; L344-L348 PolarHBondContact O-N 2.94Å; S345-L348 PolarHBondContact O-N 2.98Å; L348-Y350 PolarHBondContact O-N 3.49Å; L348-Y351 HydrophobicContact CD2-CD2 4.46Å; L348-Y351 WeakPolarHBondContact O-CB 3.47Å; L348-Y351 PolarHBondContact O-N 3.37Å; L348-Y352 WeakPolarHBondContact O-CD1 3.39Å; L348-Y352 WeakPolarHBondContact O-CE1 3.5Å; L348-M357 HydrophobicContact CB-SD 4.26Å; L348-M357 HydrophobicContact CD2-CE 4.11Å; L348-M357 HydrophobicContact CD2-SD 3.68Å; L348-M357 HydrophobicContact CG-SD 4.47Å; L348-Y367 HydrophobicContact CB-CE1 4.12Å; L348-Y367 HydrophobicContact CD1-CD1 4.38Å; L348-Y367 HydrophobicContact CD1-CD2 4.18Å; L348-Y367 HydrophobicContact CD1-CE1 3.85Å; L348-Y367 HydrophobicContact CD1-CE2 3.63Å; L348-Y367 VanDerWaalsContact CD1-CZ 3.45Å
349R97.3Very high96.5Very high114 Ų11464.4 Ų64.443%0.4330%0.299SS..G310 helixtrans-60.5-26.5175.5-70.5172.9-173.288.9-17.3113.8S345 A347 Y351 Y352S345-R349 WeakPolarHBondContact O-CG 3.43Å; S345-R349 PolarHBondContact O-N 2.76Å; S345-R349 VanDerWaalsContact O-N 3.12Å; S345-R349 PolarHBondContact O-NH1 3.43Å; S345-R349 PolarHBondContact OG-NH1 3.4Å; A347-R349 VanDerWaalsContact C-N 3.25Å; A347-R349 PolarHBondContact O-N 3.23Å; R349-Y351 PolarHBondContact O-N 3.15Å; R349-Y352 HydrophobicContact CB-CE2 4.22Å; R349-Y352 HydrophobicContact CG-CE2 3.97Å
350Y96.8Very high96.4Very high141 Ų14163.9 Ų63.955%0.55330%0.298SS*.G310 helixtrans-77.6-6.4175-67.6-56.4000113.5R346 A347 L348R346-Y350 VanDerWaalsContact NH2-CE1 3.25Å; R346-Y350 PolarHBondContact NH2-OH 3.45Å; R346-Y350 WeakPolarHBondContact O-CD2 3.45Å; A347-Y350 WeakPolarHBondContact O-CB 3.44Å; A347-Y350 PolarHBondContact O-N 3.37Å; L348-Y350 PolarHBondContact O-N 3.49Å
351Y97.1Very high96.2Very high28 Ų2869 Ų6911%0.1132%0.32CS..G310 helixtrans-92.9-9.3177.8-67.4-42000114.1L292 W293 L348 R349 K354 N355 I356 M357L292-Y351 HydrophobicContact CB-CE2 4.02Å; L292-Y351 HydrophobicContact CD2-CE2 4.37Å; L292-Y351 HydrophobicContact CG-CE2 4.31Å; L292-Y351 PolarHBondContact N-OH 2.81Å; W293-Y351 HydrophobicContact CB-CD2 4.47Å; W293-Y351 HydrophobicContact CB-CE2 3.99Å; W293-Y351 AromaticContact CD1-CE1 3.85Å; W293-Y351 AromaticContact CD1-CZ 3.71Å; L348-Y351 HydrophobicContact CD2-CD2 4.46Å; L348-Y351 WeakPolarHBondContact O-CB 3.47Å; L348-Y351 PolarHBondContact O-N 3.37Å; R349-Y351 PolarHBondContact O-N 3.15Å; Y351-K354 PolarHBondContact O-N 2.7Å; Y351-N355 PolarHBondContact O-N 2.91Å; Y351-I356 HydrophobicContact CD1-CB 4.16Å; Y351-I356 HydrophobicContact CD1-CD1 3.81Å; Y351-I356 HydrophobicContact CD1-CG2 4.07Å; Y351-I356 HydrophobicContact CD2-CG2 4.44Å; Y351-I356 HydrophobicContact CE1-CD1 4.15Å; Y351-I356 HydrophobicContact CG-CB 4.23Å; Y351-I356 HydrophobicContact CG-CG2 3.99Å; Y351-I356 PolarHBondContact O-N 3.27Å; Y351-I356 VanDerWaalsContact O-N 3.13Å; Y351-M357 CarbonylContact C-O 3.6Å; Y351-M357 HydrophobicContact CD2-CE 3.85Å; Y351-M357 HydrophobicContact CD2-CG 4.19Å; Y351-M357 HydrophobicContact CD2-SD 3.96Å; Y351-M357 HydrophobicContact CE2-CE 4.39Å; Y351-M357 HydrophobicContact CG-CG 4.3Å; Y351-M357 PolarHBondContact O-N 2.72Å
352Y96.3Very high96Very high65 Ų6571.7 Ų71.726%0.25536%0.359SS..THydrogen-bonded Turntrans-66.6-56.8179.6-55.7-9.3000110.3L348 R349 K354 N355 M357 K359 Y367L348-Y352 WeakPolarHBondContact O-CD1 3.39Å; L348-Y352 WeakPolarHBondContact O-CE1 3.5Å; R349-Y352 HydrophobicContact CB-CE2 4.22Å; R349-Y352 HydrophobicContact CG-CE2 3.97Å; Y352-K354 PolarHBondContact O-N 3.4Å; Y352-K354 VanDerWaalsContact O-N 3.09Å; Y352-N355 PolarHBondContact O-N 3.02Å; Y352-N355 VanDerWaalsContact O-N 3.13Å; Y352-M357 WeakPolarHBondContact CA-O 3.4Å; Y352-M357 WeakPolarHBondContact CD1-O 3.42Å; Y352-K359 HydrophobicContact CE1-CB 4.35Å; Y352-Y367 HydrophobicContact CE1-CE1 4.31Å
353D92.8Very high95.8Very high145 Ų14570.3 Ų70.378%0.77535%0.348SS*.THydrogen-bonded Turntrans-70.4-5.2179.4-42.7-37.3000113.1
354K91.1Very high95.7Very high120 Ų12074 Ų7452%0.52236%0.359SS..THydrogen-bonded Turntrans-103.94.6176.3-69.9-155.671.1179.70113.6Y351 Y352 I356Y351-K354 PolarHBondContact O-N 2.7Å; Y352-K354 PolarHBondContact O-N 3.4Å; Y352-K354 VanDerWaalsContact O-N 3.09Å; K354-I356 HydrophobicContact CB-CD1 4.1Å; K354-I356 HydrophobicContact CB-CG1 4.39Å; K354-I356 PolarHBondContact O-N 3.4Å
355N94.6Very high95.7Very high92 Ų9277.3 Ų77.349%0.49237%0.372SS..THydrogen-bonded Turntrans54.523.8-177.4-63.686.4000114.6Y351 Y352 D370 G373Y351-N355 PolarHBondContact O-N 2.91Å; Y352-N355 PolarHBondContact O-N 3.02Å; Y352-N355 VanDerWaalsContact O-N 3.13Å; N355-D370 WeakPolarHBondContact O-CB 3.41Å; N355-G373 VanDerWaalsContact O-CA 3.24Å; N355-G373 WeakPolarHBondContact O-CA 3.41Å
356I95.1Very high95.6Very high1 Ų177.4 Ų77.41%0.00537%0.373CS..SBendtrans-88.4-37.4179.2-74.8164.5000110.5W293 Y351 K354 D370 I374 A377W293-I356 HydrophobicContact CB-CG2 3.68Å; W293-I356 HydrophobicContact CD2-CG2 4.35Å; W293-I356 HydrophobicContact CG-CG2 3.76Å; Y351-I356 HydrophobicContact CD1-CB 4.16Å; Y351-I356 HydrophobicContact CD1-CD1 3.81Å; Y351-I356 HydrophobicContact CD1-CG2 4.07Å; Y351-I356 HydrophobicContact CD2-CG2 4.44Å; Y351-I356 HydrophobicContact CE1-CD1 4.15Å; Y351-I356 HydrophobicContact CG-CB 4.23Å; Y351-I356 HydrophobicContact CG-CG2 3.99Å; Y351-I356 PolarHBondContact O-N 3.27Å; Y351-I356 VanDerWaalsContact O-N 3.13Å; K354-I356 HydrophobicContact CB-CD1 4.1Å; K354-I356 HydrophobicContact CB-CG1 4.39Å; K354-I356 PolarHBondContact O-N 3.4Å; I356-D370 PolarHBondContact O-N 3.09Å; I356-D370 VanDerWaalsContact O-N 3.07Å; I356-I374 HydrophobicContact CG2-CG1 4.35Å; I356-A377 HydrophobicContact CD1-CB 3.9Å; I356-A377 HydrophobicContact CG1-CB 4.09Å
357M96.1Very high95.6Very high0 Ų072.3 Ų72.30%035%0.354CS..EExtended strand (participates in β ladder)trans-159160172.259.9175.169.400111.2W293 L296 L348 Y351 Y352 Y367 K368 F369W293-M357 HydrophobicContact CB-CE 4.04Å; L296-M357 HydrophobicContact CD1-CE 4.32Å; L348-M357 HydrophobicContact CB-SD 4.26Å; L348-M357 HydrophobicContact CD2-CE 4.11Å; L348-M357 HydrophobicContact CD2-SD 3.68Å; L348-M357 HydrophobicContact CG-SD 4.47Å; Y351-M357 CarbonylContact C-O 3.6Å; Y351-M357 HydrophobicContact CD2-CE 3.85Å; Y351-M357 HydrophobicContact CD2-CG 4.19Å; Y351-M357 HydrophobicContact CD2-SD 3.96Å; Y351-M357 HydrophobicContact CE2-CE 4.39Å; Y351-M357 HydrophobicContact CG-CG 4.3Å; Y351-M357 PolarHBondContact O-N 2.72Å; Y352-M357 WeakPolarHBondContact CA-O 3.4Å; Y352-M357 WeakPolarHBondContact CD1-O 3.42Å; M357-Y367 HydrophobicContact SD-CD1 4.46Å; M357-K368 CarbonylContact C-O 3.58Å; M357-K368 WeakPolarHBondContact CA-O 3.32Å; M357-K368 VanDerWaalsContact CB-O 3.3Å; M357-K368 WeakPolarHBondContact CB-O 3.16Å; M357-F369 HydrophobicContact CB-CD1 4.26Å; M357-F369 HydrophobicContact CE-CD1 3.96Å; M357-F369 HydrophobicContact CE-CE1 3.49Å; M357-F369 VanDerWaalsContact CE-CE1 3.49Å; M357-F369 HydrophobicContact CE-CZ 4.26Å
358T96.6Very high95.7Very high68 Ų6873 Ų7342%0.41735%0.351SS..EExtended strand (participates in β ladder)trans-122.1165.1171.856.10000110.6Y367 K368T358-Y367 CarbonylContact O-C 3.57Å; T358-Y367 WeakPolarHBondContact O-CA 3.39Å; T358-K368 PolarHBondContact N-O 3.44Å; T358-K368 PolarHBondContact O-N 3.21Å
359K96.4Very high95.6Very high93 Ų9373.3 Ų73.340%0.40435%0.352SS..EExtended strand (participates in β ladder)trans-85.6136.4172.6-174-177.8176-1720110.1Y352 H361 Y367Y352-K359 HydrophobicContact CE1-CB 4.35Å; K359-H361 PolarHBondContact O-CD2 2.8Å; K359-H361 PolarHBondContact O-N 2.78Å; K359-Y367 HydrophobicContact CB-CD1 4.37Å; K359-Y367 HydrophobicContact CB-CE1 4.27Å; K359-Y367 HydrophobicContact CG-CE1 4.24Å
360V96.1Very high95.5Very high23 Ų2370 Ų7014%0.13934%0.344CS..  trans-81.3114.2167.8-177.10000108.5E317 K363 A366 K368E317-V360 HydrophobicContact CG-CG2 4Å; V360-K363 HydrophobicContact CG1-CB 4.21Å; V360-K363 HydrophobicContact CG1-CD 3.84Å; V360-K363 HydrophobicContact CG1-CG 4.08Å; V360-A366 HydrophobicContact CB-CB 3.93Å; V360-A366 HydrophobicContact CG2-CB 4.42Å; V360-A366 PolarHBondContact N-O 3.25Å; V360-K368 HydrophobicContact CG2-CB 4.13Å
361H94.5Very high95.1Very high158 Ų15866.3 Ų66.373%0.73133%0.33SS*.SBendtrans-74.3156.5177.3-73.8-112.8000110.9K359 K363K359-H361 PolarHBondContact O-CD2 2.8Å; K359-H361 PolarHBondContact O-N 2.78Å; H361-K363 PolarHBondContact O-N 2.68Å
362G93.5Very high94.7Very high93 Ų9371.1 Ų71.196%0.95935%0.353SS*.SBendtrans76.3-28.2-174.200000115.3
363K93.3Very high94.4Very high77 Ų7768.1 Ų68.134%0.33534%0.342SS..SBendtrans-96.4145.8177.2-63.1-173.1-171.9178.30112.3E312 E317 V360 H361 A366E312-K363 VanDerWaalsContact OE1-CD 3.31Å; E312-K363 WeakPolarHBondContact OE1-CD 3.33Å; E312-K363 VanDerWaalsContact OE1-CE 3.28Å; E312-K363 WeakPolarHBondContact OE1-CE 3.49Å; E312-K363 IonicContact OE1-NZ 3.67Å; E312-K363 PolarHBondContact OE1-NZ 2.89Å; E317-K363 IonicContact OE2-NZ 2.61Å; V360-K363 HydrophobicContact CG1-CB 4.21Å; V360-K363 HydrophobicContact CG1-CD 3.84Å; V360-K363 HydrophobicContact CG1-CG 4.08Å; H361-K363 PolarHBondContact O-N 2.68Å; K363-A366 HydrophobicContact CB-CB 3.56Å; K363-A366 HydrophobicContact CD-CB 4.16Å
364R95.9Very high94.3Very high192 Ų19261.2 Ų61.273%0.72531%0.305SS*.SBendtrans-81.6140171.2-73.4-178.167.3-176.41110.1A366R364-A366 PolarHBondContact O-N 3Å
365Y97.8Very high94.1Very high69 Ų6958 Ų5827%0.27130%0.301SS..SBendtrans52.923174.4-47.2-67.1000115.7K319 M320 P323 Y341K319-Y365 WeakPolarHBondContact CA-O 3.17Å; M320-Y365 PolarHBondContact N-O 2.73Å; M320-Y365 WeakPolarHBondContact O-CB 3.36Å; P323-Y365 HydrophobicContact CB-CD1 3.89Å; P323-Y365 HydrophobicContact CB-CE1 4.13Å; P323-Y365 HydrophobicContact CB-CG 4.26Å; P323-Y365 HydrophobicContact CG-CD1 3.99Å; P323-Y365 HydrophobicContact CG-CD2 4.24Å; P323-Y365 HydrophobicContact CG-CE1 3.88Å; P323-Y365 HydrophobicContact CG-CE2 4.14Å; P323-Y365 HydrophobicContact CG-CG 4.18Å; Y341-Y365 HydrophobicContact CD1-CE1 4.09Å; Y341-Y365 AromaticContact CE1-CD1 3.87Å; Y341-Y365 HydrophobicContact CE1-CD1 3.87Å; Y341-Y365 AromaticContact CE1-CE1 3.68Å; Y341-Y365 HydrophobicContact CE1-CE1 3.68Å; Y341-Y365 AromaticContact CE2-CD1 3.87Å; Y341-Y365 HydrophobicContact CE2-CD1 3.87Å; Y341-Y365 HydrophobicContact CE2-CE1 4.38Å; Y341-Y365 AromaticContact CZ-CD1 3.5Å; Y341-Y365 AromaticContact CZ-CE1 3.84Å
366A97.2Very high93.7Very high4 Ų460 Ų603%0.03331%0.307CS..EExtended strand (participates in β ladder)trans-108.4140.7-174.700000112.4F318 K319 V360 K363 R364F318-A366 CarbonylContact O-C 3.55Å; F318-A366 VanDerWaalsContact O-CA 3.27Å; F318-A366 WeakPolarHBondContact O-CA 3.21Å; K319-A366 HydrophobicContact CB-CB 4.28Å; V360-A366 HydrophobicContact CB-CB 3.93Å; V360-A366 HydrophobicContact CG2-CB 4.42Å; V360-A366 PolarHBondContact N-O 3.25Å; K363-A366 HydrophobicContact CB-CB 3.56Å; K363-A366 HydrophobicContact CD-CB 4.16Å; R364-A366 PolarHBondContact O-N 3Å
367Y97.7Very high93.2Very high5 Ų561.3 Ų61.32%0.0232%0.319CS..EExtended strand (participates in β ladder)trans-144.9158.9-169.2-68.6-84.1000109.7E317 F318 Y341 L348 Y352 M357 T358 K359E317-Y367 CarbonylContact C-O 3.56Å; E317-Y367 WeakPolarHBondContact CA-O 3.27Å; F318-Y367 WeakPolarHBondContact CD1-O 3.22Å; F318-Y367 HydrophobicContact CE2-CD2 4.38Å; F318-Y367 VanDerWaalsContact CZ-CB 3.49Å; F318-Y367 HydrophobicContact CZ-CD2 4.47Å; F318-Y367 HydrophobicContact CZ-CG 4.24Å; F318-Y367 PolarHBondContact N-O 3.1Å; F318-Y367 PolarHBondContact O-N 3.29Å; F318-Y367 VanDerWaalsContact O-O 3.13Å; Y341-Y367 PolarHBondContact OH-OH 3.35Å; Y341-Y367 VanDerWaalsContact OH-OH 3.08Å; L348-Y367 HydrophobicContact CB-CE1 4.12Å; L348-Y367 HydrophobicContact CD1-CD1 4.38Å; L348-Y367 HydrophobicContact CD1-CD2 4.18Å; L348-Y367 HydrophobicContact CD1-CE1 3.85Å; L348-Y367 HydrophobicContact CD1-CE2 3.63Å; L348-Y367 VanDerWaalsContact CD1-CZ 3.45Å; Y352-Y367 HydrophobicContact CE1-CE1 4.31Å; M357-Y367 HydrophobicContact SD-CD1 4.46Å; T358-Y367 CarbonylContact O-C 3.57Å; T358-Y367 WeakPolarHBondContact O-CA 3.39Å; K359-Y367 HydrophobicContact CB-CD1 4.37Å; K359-Y367 HydrophobicContact CB-CE1 4.27Å; K359-Y367 HydrophobicContact CG-CE1 4.24Å
368K96.1Very high92.6Very high46 Ų4664.7 Ų64.720%0.234%0.336CS..EExtended strand (participates in β ladder)trans-132.2119.8178.4-172.8176.4-169.293.40109.8T314 N315 G316 E317 M357 T358 V360T314-K368 PolarHBondContact O-NZ 2.86Å; N315-K368 VanDerWaalsContact O-CE 3.3Å; N315-K368 WeakPolarHBondContact O-CE 3.28Å; N315-K368 PolarHBondContact O-NZ 2.84Å; N315-K368 VanDerWaalsContact O-NZ 3.16Å; G316-K368 WeakPolarHBondContact O-CA 3.45Å; E317-K368 HydrophobicContact CG-CB 3.82Å; E317-K368 HydrophobicContact CG-CD 3.72Å; E317-K368 HydrophobicContact CG-CG 3.67Å; E317-K368 IonicContact OE1-NZ 3.51Å; E317-K368 PolarHBondContact OE1-NZ 2.99Å; M357-K368 CarbonylContact C-O 3.58Å; M357-K368 WeakPolarHBondContact CA-O 3.32Å; M357-K368 VanDerWaalsContact CB-O 3.3Å; M357-K368 WeakPolarHBondContact CB-O 3.16Å; T358-K368 PolarHBondContact N-O 3.44Å; T358-K368 PolarHBondContact O-N 3.21Å; V360-K368 HydrophobicContact CG2-CB 4.13Å
369F96.2Very high91.7Very high5 Ų567.4 Ų67.42%0.02234%0.344CS..EExtended strand (participates in β ladder)trans-66.6143.4170-70.6-71.6000110.8W293 L296 L297 L300 W311 G316 F318 M357 F371 I374W293-F369 HydrophobicContact CB-CE1 4.25Å; L296-F369 HydrophobicContact CB-CZ 4.06Å; L297-F369 HydrophobicContact CD1-CE1 4.5Å; L297-F369 HydrophobicContact CD2-CD2 3.82Å; L297-F369 HydrophobicContact CD2-CE1 4.21Å; L297-F369 HydrophobicContact CD2-CE2 3.43Å; L297-F369 VanDerWaalsContact CD2-CE2 3.43Å; L297-F369 HydrophobicContact CD2-CG 4.37Å; L297-F369 HydrophobicContact CD2-CZ 3.63Å; L297-F369 HydrophobicContact CG-CE1 4.03Å; L297-F369 HydrophobicContact CG-CE2 4.02Å; L297-F369 HydrophobicContact CG-CZ 3.66Å; L300-F369 HydrophobicContact CD1-CE2 3.84Å; L300-F369 HydrophobicContact CD1-CZ 4.5Å; W311-F369 AromaticContact CH2-CD2 3.76Å; W311-F369 HydrophobicContact CH2-CD2 3.76Å; W311-F369 AromaticContact CH2-CE2 3.8Å; W311-F369 HydrophobicContact CH2-CE2 3.8Å; W311-F369 AromaticContact CZ3-CD2 3.88Å; W311-F369 HydrophobicContact CZ3-CD2 3.88Å; W311-F369 HydrophobicContact CZ3-CE2 4.16Å; G316-F369 PolarHBondContact O-N 2.88Å; F318-F369 AromaticContact CD1-CD2 3.61Å; F318-F369 HydrophobicContact CD1-CD2 3.61Å; F318-F369 AromaticContact CD1-CE2 3.44Å; F318-F369 HydrophobicContact CD1-CE2 3.44Å; F318-F369 VanDerWaalsContact CD1-CE2 3.44Å; F318-F369 HydrophobicContact CD1-CZ 4.28Å; F318-F369 HydrophobicContact CE1-CD1 4.46Å; F318-F369 AromaticContact CE1-CD2 3.54Å; F318-F369 HydrophobicContact CE1-CD2 3.54Å; F318-F369 HydrophobicContact CE1-CE1 4.24Å; F318-F369 AromaticContact CE1-CE2 3.23Å; F318-F369 HydrophobicContact CE1-CE2 3.23Å; F318-F369 HydrophobicContact CE1-CG 4.17Å; F318-F369 AromaticContact CE1-CZ 3.64Å; F318-F369 HydrophobicContact CE1-CZ 3.64Å; F318-F369 HydrophobicContact CG-CE2 4.34Å; F318-F369 HydrophobicContact CZ-CE2 4.01Å; F318-F369 HydrophobicContact CZ-CZ 4.03Å; M357-F369 HydrophobicContact CB-CD1 4.26Å; M357-F369 HydrophobicContact CE-CD1 3.96Å; M357-F369 HydrophobicContact CE-CE1 3.49Å; M357-F369 VanDerWaalsContact CE-CE1 3.49Å; M357-F369 HydrophobicContact CE-CZ 4.26Å; F369-F371 HydrophobicContact CB-CZ 4.47Å; F369-I374 HydrophobicContact CB-CD1 3.85Å; F369-I374 HydrophobicContact CD1-CD1 3.73Å; F369-I374 HydrophobicContact CG-CD1 4.07Å
370D94.3Very high90.3Very high46 Ų4668.4 Ų68.425%0.24636%0.361CS..  trans-109.3107.7166.7175.29.3000108.3N355 I356 H372 G373 I374N355-D370 WeakPolarHBondContact O-CB 3.41Å; I356-D370 PolarHBondContact O-N 3.09Å; I356-D370 VanDerWaalsContact O-N 3.07Å; D370-H372 PolarHBondContact O-N 3.18Å; D370-H372 IonicContact OD1-CE1 2.6Å; D370-H372 IonicContact OD1-CG 2.69Å; D370-H372 PolarHBondContact OD1-N 2.95Å; D370-H372 VanDerWaalsContact OD1-N 3.17Å; D370-H372 IonicContact OD1-ND1 3.78Å; D370-H372 PolarHBondContact OD1-ND1 2.92Å; D370-G373 PolarHBondContact O-N 3.21Å; D370-I374 WeakPolarHBondContact O-CG1 3.43Å; D370-I374 PolarHBondContact O-N 3.07Å; D370-I374 VanDerWaalsContact O-N 3.08Å
371F89Confident88.1Confident62 Ų6274.6 Ų74.627%0.27239%0.387SS..Hα-helixtrans-66.9-21.1-173.2-67.5-76.4000113.1T278 L282 F369 I374 A375T278-F371 HydrophobicContact CG2-CE1 4.46Å; L282-F371 HydrophobicContact CD1-CD1 4.04Å; L282-F371 HydrophobicContact CD1-CE1 4.01Å; F369-F371 HydrophobicContact CB-CZ 4.47Å; F371-I374 HydrophobicContact CD1-CD1 4.17Å; F371-A375 WeakPolarHBondContact O-CB 3.46Å; F371-A375 PolarHBondContact O-N 2.79Å
372H88.8Confident85.7Confident129 Ų12971.9 Ų71.960%0.59738%0.384SS*.Hα-helixtrans-71.4-47.3177-4788.9000110.8D370 I374 A375 Q376D370-H372 PolarHBondContact O-N 3.18Å; D370-H372 IonicContact OD1-CE1 2.6Å; D370-H372 IonicContact OD1-CG 2.69Å; D370-H372 PolarHBondContact OD1-N 2.95Å; D370-H372 VanDerWaalsContact OD1-N 3.17Å; D370-H372 IonicContact OD1-ND1 3.78Å; D370-H372 PolarHBondContact OD1-ND1 2.92Å; H372-I374 VanDerWaalsContact C-N 3.33Å; H372-A375 PolarHBondContact O-N 2.75Å; H372-Q376 WeakPolarHBondContact O-CG 3.22Å; H372-Q376 PolarHBondContact O-N 3.3Å
373G89.4Confident83.3Confident2 Ų273.8 Ų73.82%0.02138%0.377CS..Hα-helixtrans-72.1-24.717500000113.4N355 D370 A377N355-G373 VanDerWaalsContact O-CA 3.24Å; N355-G373 WeakPolarHBondContact O-CA 3.41Å; D370-G373 PolarHBondContact O-N 3.21Å; G373-A377 WeakPolarHBondContact O-CB 3.38Å; G373-A377 PolarHBondContact O-N 2.74Å
374I90.2Very high80.6Confident1 Ų178.5 Ų78.51%0.00540%0.4CS..Hα-helixtrans-65.2-46.4165.8-69.6167000111.1L282 W293 L297 I356 F369 D370 F371 H372 Q376 A377 L378L282-I374 HydrophobicContact CD1-CG2 4.33Å; L282-I374 HydrophobicContact CD2-CG2 4.06Å; W293-I374 HydrophobicContact CE3-CG1 4.34Å; W293-I374 HydrophobicContact CE3-CG2 4.32Å; W293-I374 HydrophobicContact CH2-CG2 3.94Å; W293-I374 HydrophobicContact CZ3-CG1 4.45Å; W293-I374 HydrophobicContact CZ3-CG2 3.62Å; L297-I374 HydrophobicContact CD1-CD1 4.44Å; I356-I374 HydrophobicContact CG2-CG1 4.35Å; F369-I374 HydrophobicContact CB-CD1 3.85Å; F369-I374 HydrophobicContact CD1-CD1 3.73Å; F369-I374 HydrophobicContact CG-CD1 4.07Å; D370-I374 WeakPolarHBondContact O-CG1 3.43Å; D370-I374 PolarHBondContact O-N 3.07Å; D370-I374 VanDerWaalsContact O-N 3.08Å; F371-I374 HydrophobicContact CD1-CD1 4.17Å; H372-I374 VanDerWaalsContact C-N 3.33Å; I374-Q376 PolarHBondContact O-N 3.05Å; I374-A377 CarbonylContact O-C 3.5Å; I374-A377 PolarHBondContact O-N 2.72Å; I374-A377 VanDerWaalsContact O-N 3.08Å; I374-L378 HydrophobicContact CG2-CD1 4.13Å; I374-L378 PolarHBondContact O-N 3.11Å
375A86.9Confident77.9Confident52 Ų5273.9 Ų73.943%0.4340%0.397SS..Hα-helixtrans-62.1-33.6178.100000112.3F371 H372 Q379F371-A375 WeakPolarHBondContact O-CB 3.46Å; F371-A375 PolarHBondContact O-N 2.79Å; H372-A375 PolarHBondContact O-N 2.75Å; A375-Q379 PolarHBondContact O-NE2 3.11Å
376Q87Confident75.2Confident133 Ų13376.5 Ų76.562%0.62143%0.426SS*.Hα-helixtrans-69.7-43.6169.4-67.4175.615.800112.3H372 I374 L378 Q379H372-Q376 WeakPolarHBondContact O-CG 3.22Å; H372-Q376 PolarHBondContact O-N 3.3Å; I374-Q376 PolarHBondContact O-N 3.05Å; Q376-L378 PolarHBondContact O-N 3.14Å; Q376-Q379 WeakPolarHBondContact O-CB 3.48Å; Q376-Q379 PolarHBondContact O-N 3.16Å
377A84.2Confident72.3Confident30 Ų3084.3 Ų84.325%0.24846%0.464CS..Hα-helixtrans-69.7-9178.800000114.6W293 I356 G373 I374W293-A377 HydrophobicContact CZ2-CB 4.36Å; I356-A377 HydrophobicContact CD1-CB 3.9Å; I356-A377 HydrophobicContact CG1-CB 4.09Å; G373-A377 WeakPolarHBondContact O-CB 3.38Å; G373-A377 PolarHBondContact O-N 2.74Å; I374-A377 CarbonylContact O-C 3.5Å; I374-A377 PolarHBondContact O-N 2.72Å; I374-A377 VanDerWaalsContact O-N 3.08Å
378L83.3Confident69.4Low70 Ų7094.3 Ų94.337%0.36650%0.503SS..THydrogen-bonded Turntrans-92.7-11.4169.8-77.6170.6000113.7L282 W293 I374 Q376L282-L378 HydrophobicContact CD2-CD1 3.41Å; L282-L378 VanDerWaalsContact CD2-CD1 3.41Å; W293-L378 HydrophobicContact CH2-CD1 4.43Å; W293-L378 HydrophobicContact CH2-CD2 3.86Å; W293-L378 HydrophobicContact CH2-CG 3.9Å; W293-L378 HydrophobicContact CZ2-CD2 4.46Å; I374-L378 HydrophobicContact CG2-CD1 4.13Å; I374-L378 PolarHBondContact O-N 3.11Å; Q376-L378 PolarHBondContact O-N 3.14Å
379Q78.6Confident66.4Low125 Ų125101.9 Ų101.958%0.58454%0.536SS*.SBendtrans-67.4139.4175.4-63.2-56.1-47.900110.5A375 Q376 H381A375-Q379 PolarHBondContact O-NE2 3.11Å; Q376-Q379 WeakPolarHBondContact O-CB 3.48Å; Q376-Q379 PolarHBondContact O-N 3.16Å; Q379-H381 PolarHBondContact O-N 3.25Å
380P65.6Low63.5Low115 Ų115110.8 Ų110.875%0.74757%0.571SS**  trans-68.8100.7171.529-32.7000108.9
381H50.8Low60.8Low152 Ų152114 Ų11470%0.70459%0.594SS**  trans-57.1129.5166.1-75.2-58000108.7Q379Q379-H381 PolarHBondContact O-N 3.25Å
382P43.8Very low58.3Low101 Ų101116.4 Ų116.466%0.65662%0.619SS**  trans-59147169.627.2-34000108.9E384P382-E384 PolarHBondContact O-N 3.45Å
383T43.1Very low56Low134 Ų134117.6 Ų117.682%0.82263%0.63SS**  trans-74.278.8-178.852.50000110.6S385T383-S385 PolarHBondContact O-N 2.74Å
384E37.2Very low53.5Low175 Ų175125.7 Ų125.782%0.81867%0.672SS**  trans-55.799.7162.8-80.3-67.9131.600108.2P382 S386P382-E384 PolarHBondContact O-N 3.45Å; E384-S386 PolarHBondContact O-N 3.26Å
385S38.2Very low51.1Low95 Ų95130.4 Ų130.466%0.66471%0.71SS**  trans-57.9134.3-176.7-66.10000110.7T383 M387T383-S385 PolarHBondContact O-N 2.74Å; S385-M387 PolarHBondContact O-N 3.19Å
386S40.8Very low48.7Very low125 Ų125137.8 Ų137.887%0.87473%0.728SS**  trans-70.146.7167.4-58.20000112.4E384E384-S386 PolarHBondContact O-N 3.26Å
387M36.9Very low46.5Very low168 Ų168137 Ų13783%0.82873%0.733SS**  trans-79.3118.6178.6-174.1164.3162.300108.5S385 K389S385-M387 PolarHBondContact O-N 3.19Å; M387-K389 PolarHBondContact O-N 3.25Å
388Y37.7Very low44.4Very low215 Ų215140.8 Ų140.884%0.84375%0.754SS**  trans-49.5119.9-169.5-82.9-104.3000113.1Y390Y388-Y390 PolarHBondContact O-N 2.87Å
389K33.5Very low41.9Very low204 Ų204143.1 Ų143.189%0.88778%0.777SS**  trans-72.979.5170.6-171.6173.5-177.9174.40110.2M387M387-K389 PolarHBondContact O-N 3.25Å
390Y33.4Very low39.7Very low193 Ų193148.5 Ų148.576%0.75779%0.793SS**  trans-64.9130.3169.5-129-86.2000109.4Y388 S392Y388-Y390 PolarHBondContact O-N 2.87Å; Y390-S392 PolarHBondContact O-N 3.2Å
391P37.8Very low38.4Very low113 Ų113152 Ų15273%0.73480%0.8SS**  trans-75.5108.7175.9-1429.8000110.6
392S36.2Very low37.5Very low113 Ų113149.1 Ų149.179%0.7980%0.802SS**  trans-100.474.3178-640000111.2Y390Y390-S392 PolarHBondContact O-N 3.2Å
393D42Very low36.9Very low154 Ų154153.2 Ų153.282%0.82481%0.812SS**  trans-122.199.9175.6-99-53.4000111.2
394L35.8Very low36.5Very low172 Ų172153.9 Ų153.990%0.90181%0.806SS**  trans-161.5105.3160.8-125.3159.9000110.6
395A40.2Very low36.3Very low99 Ų99152.9 Ų152.982%0.81880%0.801SS**  trans-108.2102-174.500000112.6
396Y37.4Very low36.1Very low207 Ų207157 Ų15781%0.81281%0.807SS**  trans-161.1139.3164-135.3-122.8000105.3
397V40.1Very low35.9Very low118 Ų118157 Ų15772%0.71580%0.802SS**  cis-147.3160.935.8-149.40000109
398P40.6Very low36.1Very low108 Ų108155.9 Ų155.970%0.70180%0.799SS**  trans-72.8156.4-173.4-21.735.6000116.7
399S29.9Very low36Very low120 Ų120155.6 Ų155.684%0.83980%0.803SS**  trans-69.2136.6177-51.40000113.9
400Y32Very low36.1Very low237 Ų237152.1 Ų152.193%0.92980%0.798SS**  trans-113.8150.5156.2-86.5-88.7000110.4
401H39.7Very low36.4Very low189 Ų189147.3 Ų147.388%0.87579%0.793SS**  trans-136122-164.8-176.431.8000109.8
402A30.7Very low37Very low92 Ų92148 Ų14876%0.7680%0.797SS**  trans177.3149.4148.500000115.2
403H31.5Very low37Very low186 Ų186150.6 Ų150.686%0.86180%0.796SS**  trans77.4165.1148.5-126.468.2000121.8
404Q34.3Very low38.1Very low149 Ų149148.9 Ų148.970%0.69679%0.794SS**  trans-141.1174.1-157.2-65.3-174.4-7.100114
405Q33.9Very low39.1Very low154 Ų154146.6 Ų146.672%0.7279%0.789SS**  trans95.799.5147.7-51.6-148.98.700121.4
406K33.3Very low38.7Very low182 Ų182147.1 Ų147.179%0.79179%0.786SS**  82.5146.5111.5-154.8-163.9177.3-1760120.7
407V36.8Very low38.6Very low124 Ų124145.5 Ų145.575%0.75279%0.788SS**  trans96.1139.3162.5-43.30000119.9
408N40.5Very low39.1Very low144 Ų144144.6 Ų144.677%0.7779%0.785SS**  trans-88.7166.1174.5-53.5-3000110.9
409F35.6Very low38.8Very low210 Ų210145.6 Ų145.692%0.92179%0.789SS**  -166.7-169.8120-108.3-69.2000111.7
410V37.2Very low39.1Very low131 Ų131145.6 Ų145.679%0.79478%0.784SS**  trans-116.3156.1-152.5176.20000114.1
411S38.5Very low39.3Very low92 Ų92138.8 Ų138.864%0.64377%0.771SS**  trans-63171177.4-39.60000115.9
412P51.8Low39.1Very low126 Ų126134.1 Ų134.182%0.81876%0.76SS**  -138.2175.5114.633.8-19000115.7
413H35.9Very low39.4Very low169 Ų169136.5 Ų136.578%0.78276%0.76SS**  trans-105.2-148.5-178.6-43.2-101.4000109.9
414P64.1Low39.6Very low118 Ų118135.6 Ų135.677%0.76675%0.753SS**  cis-109.8-150.1-38.530.6-8.6000108
415P56.2Low39.7Very low124 Ų124137.8 Ų137.881%0.80576%0.761SS**  cis-109.5-158.7-15.540.2-22.5000110.8
416S32.9Very low39.5Very low109 Ų109133.6 Ų133.676%0.76276%0.759SS**  cis-149.1-171.313.266.60000114.3
417M35.9Very low40.6Very low173 Ų173130.5 Ų130.585%0.85276%0.758SS**  trans-145.6-174.1-173.9-69.3-137.3-55.300107.5
418P49.2Very low40.3Very low100 Ų100131.1 Ų131.165%0.64976%0.762SS**  cis-152.8176.418.542.1-18.8000121
419V35.4Very low40.1Very low128 Ų128128.4 Ų128.478%0.77676%0.759SS**  trans53.7160.9150.4-68.80000121.2
420T35.3Very low41.1Very low121 Ų121123.7 Ų123.774%0.74275%0.75SS**  cis-168.6164.4-13.1270000108.5
421S35.6Very low40.8Very low94 Ų94125.8 Ų125.866%0.65774%0.744SS**  cis-176.1164.1-31.660.30000111.2
422S37.1Very low40.6Very low91 Ų91131.4 Ų131.464%0.63675%0.752SS**  trans50.6109.4145.662.20000123.1
423N36.3Very low39.6Very low141 Ų141129.8 Ų129.875%0.75474%0.743SS**  63.8158.2128.5-64.628.3000124.3
424F35.9Very low39.6Very low167 Ų167126.9 Ų126.973%0.73274%0.742SS**  trans101.4133.1148.4-78.8-73.8000121.1
425F37.1Very low38.9Very low196 Ų196126.9 Ų126.986%0.8674%0.742SS**  trans68.4145.1169.2-55.7-70.4000120.4
426G28.6Very low37.9Very low65 Ų65127.6 Ų127.667%0.6775%0.745SS**  trans-127.4-156.3151.900000107.7
427P57.1Low37.8Very low118 Ų118126.5 Ų126.577%0.76675%0.75SS**  cis-126.9-142.3-142.3-25.6000111.7
428T30Very low37.7Very low137 Ų137121.5 Ų121.584%0.8474%0.743SS**  trans95148.5166.876.80000118.8
429A37.2Very low36.8Very low86 Ų86125.1 Ų125.171%0.71176%0.755SS**  trans-117.7-176166.300000106.4
430P55.3Low36.8Very low112 Ų112129.3 Ų129.373%0.72776%0.759SS**  cis-147-14416.143.8-20.7000114.1
431Y31.5Very low37.6Very low174 Ų174129.8 Ų129.868%0.68276%0.764SS**  trans110.7141.1142.4-124.9-64000119.7
432W34.8Very low37.5Very low211 Ų211132.1 Ų132.180%0.79977%0.769SS**  trans77.6152167.4-52.497.2000118.2
433S30.6Very low37.3Very low91 Ų91135.9 Ų135.964%0.63678%0.776SS**  178.8163-74.157.10000111.7
434S35.4Very low37.2Very low109 Ų109134.1 Ų134.176%0.76278%0.775SS**  trans-27.2159.8173.9-43.60000120.4
435P48.7Very low37.4Very low118 Ų118132.8 Ų132.877%0.76678%0.78SS**  -145.8128.8100.835.9-19.4000118.7
436T35.4Very low38.1Very low139 Ų139129.3 Ų129.385%0.85378%0.777SS**  trans29.5137.8135.959.10000125.8
437G31.1Very low38.4Very low86 Ų86136.7 Ų136.789%0.88779%0.785SS**  trans107.8148.2142.100000116.8
438G33.2Very low37.4Very low68 Ų68139 Ų13970%0.70178%0.784SS**  cis160.9173.7-5.900000112.8
439I32.1Very low38.5Very low175 Ų175138.1 Ų138.190%0.89778%0.781SS**  trans92.1134.1167.5-53.3164.8000118.2
440Y34.6Very low38.4Very low217 Ų217140.1 Ų140.185%0.85178%0.78SS**  trans-116.6169.9169.6-81.5-91.3000110.4
441P52.3Low37.4Very low130 Ų130140.4 Ų140.484%0.84479%0.785SS**  -138.9-178107.334.1-18.6000115.3
442N32.6Very low37.7Very low143 Ų143139.8 Ų139.877%0.76579%0.788SS**  trans-123153.3-162.5171.95.2000111.7
443H33.7Very low38Very low171 Ų171135.9 Ų135.979%0.79279%0.787SS**  trans-149.6127.8157.3-119.564.1000117.7
444S33.9Very low38.9Very low104 Ų104137.6 Ų137.673%0.72780%0.796SS**  trans65139148550000122.6
445V40Very low39.1Very low138 Ų138137.2 Ų137.284%0.83679%0.794SS**  trans-125.6154.6-179.7-151.40000110.6
446P51.6Low38.7Very low123 Ų123139.4 Ų139.480%0.79979%0.793SS**  -152.3177.3114.537.8-20.7000116
447R35.5Very low39.1Very low221 Ų221140.3 Ų140.383%0.83479%0.792SS**  cis-174.192.4-40.8-173.2177.7-177.5-170.7-0.2112.4
448H35.9Very low39.4Very low165 Ų165140 Ų14076%0.76479%0.789SS**  trans62.7174.3165.3-69-82.4000118.5
449P52.8Low40Very low119 Ų119141.4 Ų141.477%0.77379%0.788SS**  cis-111.9166.8-13.925.7-5000112.8
450N35.2Very low40.7Very low129 Ų129142.9 Ų142.969%0.6978%0.784SS**  cis87.2106.327.1-165.879.7000116.9
451S34.7Very low41.5Very low118 Ų118146.3 Ų146.383%0.82580%0.797SS**  trans-162.9170.1149.3-1580000112.4
452H37.1Very low41Very low160 Ų160147.2 Ų147.274%0.74180%0.795SS**  trans-115.4171-166.5-87.4-117000115.4
453V41.7Very low41.4Very low129 Ų129147.4 Ų147.478%0.78280%0.796SS**  trans-46.9158.6163.3-58.20000114
454P49.3Very low41.9Very low127 Ų127146.1 Ų146.183%0.82580%0.796SS**  -150.3178.980.140.6-21.1000116.8
455S39.2Very low42.3Very low102 Ų102148.5 Ų148.571%0.71380%0.801SS**  trans-97.8158.5175.138.30000113.1
456H41.3Very low42.5Very low163 Ų163149.2 Ų149.276%0.75580%0.798SS**  175.1151.7128.2-110.7-99.2000115.7
457L42.9Very low41.9Very low159 Ų159150.9 Ų150.983%0.83280%0.798SS**  trans61.4145.4148.1-81.2157.3000122.8
458G38Very low42.3Very low80 Ų80145.9 Ų145.983%0.82580%0.796SS**  trans171.477.6173.400000111.1
459S45.4Very low42.8Very low96 Ų96144.5 Ų144.567%0.67180%0.798SS**  trans-117.1-168.2176.6-165.90000110.2
460Y46.6Very low42Very low207 Ų207146.6 Ų146.681%0.81280%0.8SS**  trans76.7136.1-170.7-48.3-73.4000113.6
461Y52.2Low42.6Very low289 Ų289148.2 Ų148.2100%1.13381%0.81SS**  cis-118.705.3-112.1-83000112.6

Retrieved 461 of 461 residues in 917.6 ms (Link to these results)