A0A087WYU3_HUMAN Loading...

Sterile alpha motif domain containing 11

AlphaFold DB , UniProt , Accession A0A087WYU3, Species HUMAN (Homo sapiens, Human), Gene SAMD11, Length 661 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
1M40.1Very low46.9Very low240 Ų240147.8 Ų147.8100%1.18283%0.826SS**  0119.30-66.1172.375.400108.1
2S44.3Very low47.7Very low130 Ų130145.3 Ų145.391%0.90981%0.808SS**  trans-93.5109.4-173.4-49.50000110.2G4S2-G4 PolarHBondContact O-N 3.12Å
3K50.2Low48.8Very low208 Ų208137.8 Ų137.890%0.90477%0.77SS**  trans-82.1101.9169.6-76.3-170.8173.7-1750108.8
4G42.8Very low49.1Very low76 Ų76138.3 Ų138.378%0.78477%0.77SS**  trans-65.3135.5173.700000110.9S2S2-G4 PolarHBondContact O-N 3.12Å
5I48.4Very low50.2Low164 Ų164133.5 Ų133.584%0.84175%0.749SS**  trans-84.4119.3168.7-61.4172.7000106.5Q7I5-Q7 PolarHBondContact O-N 3.42Å
6L47.1Very low50Low162 Ų162133.9 Ų133.985%0.84876%0.759SS**  trans-66.9100.5172.5-93.2157.1000108.9V8L6-V8 VanDerWaalsContact C-N 3.28Å; L6-V8 PolarHBondContact O-N 2.6Å
7Q48.8Very low50.4Low155 Ų155130.6 Ų130.672%0.72476%0.762SS**  trans-76.581.5176.1-175.1177.7-38.400109.3I5 H9I5-Q7 PolarHBondContact O-N 3.42Å; Q7-H9 PolarHBondContact NE2-NE2 3.05Å; Q7-H9 PolarHBondContact O-N 3.29Å
8V46.6Very low51.1Low131 Ų131125.6 Ų125.679%0.79473%0.734SS**  trans-67.5112.6173.7-165.10000108.2L6L6-V8 VanDerWaalsContact C-N 3.28Å; L6-V8 PolarHBondContact O-N 2.6Å
9H45.3Very low51.2Low128 Ų128131.1 Ų131.159%0.59374%0.741SS**PPolyproline II helixtrans-73.3137.9170.8-87.2-112.2000109.5Q7Q7-H9 PolarHBondContact NE2-NE2 3.05Å; Q7-H9 PolarHBondContact O-N 3.29Å
10P50.9Low51.2Low101 Ų101132.7 Ų132.766%0.65675%0.746SS**PPolyproline II helixtrans-64.3145.7168.829.1-34.1000109.5I12P10-I12 PolarHBondContact O-N 3.02Å
11P51.2Low51.1Low131 Ų131128.5 Ų128.585%0.85173%0.725SS**PPolyproline II helixtrans-64.8119.1179.926.5-33.6000110.2
12I56.8Low51.2Low118 Ų118119.5 Ų119.561%0.60569%0.686SS**PPolyproline II helixtrans-83.5118.3173-54.5177.7000107P10P10-I12 PolarHBondContact O-N 3.02Å
13C61.6Low51.4Low48 Ų48118.4 Ų118.432%0.32468%0.676SS.*  trans-88.4110.4170.2145.80000108.4C15 C18 S21C13-C15 WeakPolarHBondContact CB-SG 3.03Å; C13-C15 PolarHBondContact O-N 2.98Å; C13-C15 WeakPolarHBondContact SG-CB 3.31Å; C13-C15 CovalentContact SG-SG 2.04Å; C13-C15 PolarHBondContact SG-SG 3.14Å; C13-C18 WeakPolarHBondContact SG-CB 3.43Å; C13-S21 PolarHBondContact O-OG 2.72Å
14D53.3Low51.2Low144 Ų144114.4 Ų114.477%0.7767%0.669SS**  trans-84.333.3173-65.5-42000111.3
15C64.8Low51.1Low67 Ų67116.6 Ų116.645%0.45366%0.662SS.*  trans-84.8129.1-176.6-25.40000109.7C13 G17 C18C13-C15 WeakPolarHBondContact CB-SG 3.03Å; C13-C15 PolarHBondContact O-N 2.98Å; C13-C15 WeakPolarHBondContact SG-CB 3.31Å; C13-C15 CovalentContact SG-SG 2.04Å; C13-C15 PolarHBondContact SG-SG 3.14Å; C15-G17 PolarHBondContact O-N 3.26Å; C15-C18 WeakPolarHBondContact O-CB 3.49Å; C15-C18 PolarHBondContact O-N 3.08Å
16P47.8Very low51Low140 Ų140119.3 Ų119.391%0.90966%0.662SS**THydrogen-bonded Turntrans-62.4113.5-176.824.8-33.4000110.9
17G56.1Low50.9Low78 Ų78114.2 Ų114.280%0.80465%0.649SS**THydrogen-bonded Turntrans114.3-13.4-17500000114.9C15 R19C15-G17 PolarHBondContact O-N 3.26Å; G17-R19 PolarHBondContact O-N 3.2Å
18C63.1Low50.7Low39 Ų39117.9 Ų117.926%0.26466%0.656SS.*  trans-70.3112179.6-1690000112.1C13 C15 I20 S21C13-C18 WeakPolarHBondContact SG-CB 3.43Å; C15-C18 WeakPolarHBondContact O-CB 3.49Å; C15-C18 PolarHBondContact O-N 3.08Å; C18-I20 PolarHBondContact O-N 3.44Å; C18-S21 PolarHBondContact O-OG 3.46Å
19R53.5Low50.6Low231 Ų231119.5 Ų119.587%0.87266%0.659SS**G310 helixtrans-69.6-14.8-177.4-82.5-173.9168.3-178.4-1.9115G17 S21G17-R19 PolarHBondContact O-N 3.2Å; R19-S21 VanDerWaalsContact C-N 3.33Å
20I50.9Low50.6Low162 Ų162117 Ų11783%0.83166%0.661SS**G310 helixtrans-71.9-29.4-177.8-53.4178.9000111.3C18C18-I20 PolarHBondContact O-N 3.44Å
21S49.8Very low50.2Low45 Ų45119.2 Ų119.232%0.31567%0.667SS.*G310 helixtrans-100.516.5-177.336.50000114.2C13 C18 R19C13-S21 PolarHBondContact O-OG 2.72Å; C18-S21 PolarHBondContact O-OG 3.46Å; R19-S21 VanDerWaalsContact C-N 3.33Å
22S41.4Very low50.1Low51 Ų51122.6 Ų122.636%0.35767%0.668SS.*  trans-59.5128.6178.4179.80000112.7V24 N25S22-V24 PolarHBondContact O-N 3.24Å; S22-N25 PolarHBondContact O-N 3.07Å
23P49.1Very low49.7Very low107 Ų107128.2 Ų128.270%0.69568%0.682SS**G310 helixtrans-56-26.1-175.8-28.835.4000115.5N25 R26P23-N25 PolarHBondContact O-N 2.74Å; P23-N25 VanDerWaalsContact O-N 3.14Å; P23-R26 VanDerWaalsContact O-CB 3.31Å; P23-R26 WeakPolarHBondContact O-CB 3.16Å; P23-R26 PolarHBondContact O-N 2.85Å
24V45.3Very low48.6Very low125 Ų125131.9 Ų131.976%0.75870%0.703SS**G310 helixtrans-58.5-29.4-174.2-173.50000112.7S22S22-V24 PolarHBondContact O-N 3.24Å
25N40.7Very low47.6Very low121 Ų121132 Ų13265%0.64771%0.709SS**G310 helixtrans-85.8-13.1178.3-76-49.4000114.3S22 P23 G27 R28S22-N25 PolarHBondContact O-N 3.07Å; P23-N25 PolarHBondContact O-N 2.74Å; P23-N25 VanDerWaalsContact O-N 3.14Å; N25-G27 PolarHBondContact O-N 3.17Å; N25-R28 PolarHBondContact O-N 3Å
26R48Very low46Very low221 Ų221132.5 Ų132.583%0.83472%0.718SS**G310 helixtrans-66.5-26.3-176.5-154.8169.8-171.3145.40.6112.5P23P23-R26 VanDerWaalsContact O-CB 3.31Å; P23-R26 WeakPolarHBondContact O-CB 3.16Å; P23-R26 PolarHBondContact O-N 2.85Å
27G43.2Very low45.4Very low56 Ų56133.2 Ų133.258%0.57771%0.713SS**G310 helixtrans-74.5-22.2179.900000115.9N25N25-G27 PolarHBondContact O-N 3.17Å
28R46.3Very low44.3Very low232 Ų232135.6 Ų135.688%0.87572%0.715SS**G310 helixtrans-96-4.8-172.5-99.1-173.2-179-84.30.5116.3N25N25-R28 PolarHBondContact O-N 3Å
29L44.6Very low42.8Very low164 Ų164138.7 Ų138.786%0.85974%0.743SS**SBendtrans-105.8-14.2179.1-161.263.1000114
30A43.5Very low41.8Very low75 Ų75132.2 Ų132.262%0.6274%0.739SS**SBendtrans-75.1-32.3176.500000113K32A30-K32 PolarHBondContact O-N 3.39Å
31D43.9Very low41Very low148 Ų148136 Ų13679%0.79174%0.743SS**THydrogen-bonded Turntrans-82.728.5-159.8-1283.3000115.4
32K47.8Very low40.2Very low202 Ų202141.8 Ų141.888%0.87877%0.77SS**THydrogen-bonded Turntrans-137.836.5173.6-74.8-160173.2-172.70113.9A30A30-K32 PolarHBondContact O-N 3.39Å
33R49.8Very low39.7Very low236 Ų236147.6 Ų147.689%0.89180%0.796SS**SBendtrans-139.17.2171.1-111.2174-163172.86.1118.3
34T36.9Very low38.9Very low126 Ų126152 Ų15277%0.77380%0.804SS**  trans-138.976.1177.5-39.80000113.1A36T34-A36 HydrophobicContact CG2-CB 4.22Å; T34-A36 PolarHBondContact O-N 3.24Å; T34-A36 VanDerWaalsContact O-N 3.08Å
35V33.1Very low38.2Very low146 Ų146155.4 Ų155.489%0.88581%0.809SS**  trans-79.980.3158.9-177.80000107.7
36A31.8Very low37.7Very low78 Ų78157.9 Ų157.965%0.64582%0.816SS**PPolyproline II helixtrans-78.913416400000108.7T34T34-A36 HydrophobicContact CG2-CB 4.22Å; T34-A36 PolarHBondContact O-N 3.24Å; T34-A36 VanDerWaalsContact O-N 3.08Å
37L35Very low36.9Very low155 Ų155158.7 Ų158.781%0.81282%0.819SS**PPolyproline II helixtrans-70.5145.3175.6-67.3171000110.3
38P33.7Very low36.3Very low128 Ų128162.7 Ų162.783%0.83183%0.833SS**PPolyproline II helixtrans-72.3144.7-172.629.6-35.9000112.6
39A31.6Very low35.9Very low103 Ų103156.8 Ų156.885%0.85182%0.824SS**  trans-129.885.5-175.300000113.5
40A32.6Very low35.3Very low95 Ų95154.5 Ų154.579%0.78582%0.822SS**  trans-169144.4153.900000107.1
41R33.3Very low34.7Very low243 Ų243160.7 Ų160.792%0.91784%0.836SS**  cis-138.1163.329.5-69.7171.2164171-7112.3
42N31.8Very low34.1Very low165 Ų165158.9 Ų158.988%0.88283%0.834SS**  trans-68.6137.5178.8-66.8-72.4000113.3
43L31.8Very low33.4Very low173 Ų173154 Ų15491%0.90683%0.831SS**  trans-140.384.4159.1-116.1170.3000111.5K45L43-K45 PolarHBondContact O-N 3.32Å
44K31.8Very low32.5Very low200 Ų200147.1 Ų147.187%0.8782%0.82SS**  trans-10108.9163.3-179.5-178.5178.31770117
45K31.9Very low32.6Very low196 Ų196148.4 Ų148.485%0.85282%0.822SS**  trans-155.7131.8135.9-139.4167.2-176.3177.90114.4L43L43-K45 PolarHBondContact O-N 3.32Å
46E29.1Very low32.7Very low173 Ų173144.9 Ų144.981%0.80882%0.815SS**  trans4.9138.2159.6-56.1-6769.500121.6
47R30.8Very low32.9Very low238 Ų238148.8 Ų148.890%0.89883%0.825SS**  trans-80.8146.2154.3-70.9171.3159.5-170.7-4.7110.3
48T31.6Very low33.2Very low140 Ų140145.8 Ų145.886%0.85982%0.817SS**  -159.1153122.116.10000110.6
49P37.1Very low33.4Very low108 Ų108147.8 Ų147.870%0.70182%0.821SS**  trans-94.8169-176.738.6-34.9000113.1
50S32.5Very low33.7Very low116 Ų116146.1 Ų146.181%0.81181%0.814SS**  trans-65.7129.9178.6-42.40000113.7
51F30.1Very low33.9Very low206 Ų206147.5 Ų147.590%0.90482%0.818SS**  trans-138.8168.7152.1-90-74.2000109.6
52S31.3Very low34Very low109 Ų109139.3 Ų139.376%0.76281%0.809SS**  trans-100.7178.5-157.851.40000115.7
53A33Very low35.1Very low99 Ų99137.4 Ų137.482%0.81881%0.805SS**  trans81.2149.9-179.100000114.2
54S31.8Very low35.4Very low93 Ų93136.4 Ų136.465%0.6581%0.807SS**  cis-157.6158.7-1.7-142.30000111.7
55D38Very low35.6Very low153 Ų153133.3 Ų133.382%0.81881%0.809SS**  trans57156.6152.2-52.4-51.9000122.4
56G36.7Very low35.6Very low72 Ų72127.7 Ų127.774%0.74281%0.806SS**  trans87101.3170.100000115.2
57D35.2Very low35.7Very low159 Ų159130.7 Ų130.785%0.8581%0.81SS**  cis96.2153.939.9-165.229.6000113.8
58S40.6Very low36.1Very low92 Ų92130.8 Ų130.864%0.64381%0.81SS**  trans72.696.9-179.6-64.70000119.3
59D39.5Very low36.8Very low170 Ų170130 Ų13091%0.90981%0.808SS**  50.1143.9121.3-67.2-8.7000123.9
60G36.1Very low36.4Very low68 Ų68127.8 Ų127.870%0.70181%0.805SS**  trans142.889.6141.200000118.3
61S37.4Very low36.7Very low125 Ų125130.6 Ų130.687%0.87481%0.809SS**  trans33.4121.9139.4-520000121.4
62G35.8Very low36.8Very low70 Ų70128.2 Ų128.272%0.72280%0.799SS**  trans-84.2-153.1146.800000111.1
63P55.6Low36.9Very low125 Ų125131.9 Ų131.981%0.81280%0.804SS**  cis-129.5157.2-28.538.7-25.5000112.2
64T37.6Very low37Very low153 Ų153133.4 Ų133.494%0.93979%0.794SS**  trans-141.1146.7167.544.80000113.7
65C35.1Very low37.2Very low135 Ų135137 Ų13791%0.91281%0.806SS**  trans-102.7147.717854.70000111.2
66G33.1Very low37.1Very low77 Ų77132.1 Ų132.179%0.79479%0.792SS**  trans-157.457.7-163.400000117.8
67R30.8Very low37.3Very low237 Ų237134.6 Ų134.689%0.89480%0.795SS**  trans57.797.1146.8-152.8169.8-153.6-97.93.1120.1
68R40Very low37.4Very low239 Ų239135.5 Ų135.590%0.90279%0.794SS**  trans-60.2156.6146.7-76-174.2177.8-154.80.4110.2
69P46.3Very low37.2Very low125 Ų125138.1 Ų138.181%0.81280%0.799SS**  -140.6-18054.136.4-15.1000115.1
70G29.1Very low37.1Very low61 Ų61140.3 Ų140.363%0.62980%0.795SS**  cis160.8-163.9-400000111.4
71L37.3Very low37.3Very low174 Ų174144.2 Ų144.291%0.91180%0.798SS**  trans68.1149.3179.1-49.1178.6000115.7
72K32.4Very low37.2Very low157 Ų157146.3 Ų146.368%0.68380%0.796SS**  cis-153.2143.4-34.3-172.6177.4164.7-91.50105.7E74K72-E74 WeakPolarHBondContact CD-OE1 3.49Å; K72-E74 WeakPolarHBondContact CE-OE1 3.3Å; K72-E74 WeakPolarHBondContact CG-OE1 3.41Å; K72-E74 IonicContact NZ-OE1 3.29Å; K72-E74 PolarHBondContact NZ-OE1 3.18Å; K72-E74 IonicContact NZ-OE2 3.81Å; K72-E74 PolarHBondContact NZ-OE2 2.04Å
73Q34.3Very low37.4Very low185 Ų185152.6 Ų152.686%0.86480%0.803SS**  trans-95.6125.9-179.6-172.1165.91.900109.6
74E34Very low36.4Very low131 Ų131158 Ų15861%0.61281%0.808SS**  trans-116.8141.1176-41.9-62.9123.800109.1K72K72-E74 WeakPolarHBondContact CD-OE1 3.49Å; K72-E74 WeakPolarHBondContact CE-OE1 3.3Å; K72-E74 WeakPolarHBondContact CG-OE1 3.41Å; K72-E74 IonicContact NZ-OE1 3.29Å; K72-E74 PolarHBondContact NZ-OE1 3.18Å; K72-E74 IonicContact NZ-OE2 3.81Å; K72-E74 PolarHBondContact NZ-OE2 2.04Å
75D37.3Very low36.3Very low168 Ų168161.1 Ų161.190%0.89880%0.802SS**  trans-80.3147.4-173.7-86.7-63.6000114.9
76G35Very low36.3Very low52 Ų52160.5 Ų160.554%0.53679%0.794SS.*  trans-115.4133.3171.700000112H78G76-H78 PolarHBondContact O-N 2.83Å
77P41.3Very low36.4Very low123 Ų123164.4 Ų164.480%0.79979%0.791SS**  trans-72.1130.1-166.527-34.8000114.4I79P77-I79 PolarHBondContact O-N 3.37Å
78H37.2Very low36.9Very low179 Ų179157.7 Ų157.783%0.82978%0.776SS**  trans-75.497.9175.6-90.153.1000112.6G76 R80G76-H78 PolarHBondContact O-N 2.83Å; H78-R80 PolarHBondContact O-N 3.41Å
79I36.6Very low36.7Very low146 Ų146153.6 Ų153.675%0.74977%0.767SS**  trans-79.299.8172.4-57.7179.6000110.4P77 I81P77-I79 PolarHBondContact O-N 3.37Å; I79-I81 HydrophobicContact CG2-CG1 4.36Å; I79-I81 PolarHBondContact O-N 3.3Å; I79-I81 VanDerWaalsContact O-N 3.16Å
80R36.5Very low36.1Very low217 Ų217157.5 Ų157.582%0.81977%0.766SS**  trans-78.592.3176.6-70.3177.264.9-1680.2111.7H78 M82H78-R80 PolarHBondContact O-N 3.41Å; R80-M82 PolarHBondContact O-N 3.28Å
81I41.4Very low36.3Very low150 Ų150161.1 Ų161.177%0.76977%0.771SS**  trans-68.2102.4175.6-57.1176.5000110.6I79 K83I79-I81 HydrophobicContact CG2-CG1 4.36Å; I79-I81 PolarHBondContact O-N 3.3Å; I79-I81 VanDerWaalsContact O-N 3.16Å; I81-K83 PolarHBondContact O-N 2.91Å
82M34.7Very low36.4Very low169 Ų169157.6 Ų157.683%0.83376%0.757SS**  trans-79.5103.5173.8-68-174.570.600111.1R80 R84R80-M82 PolarHBondContact O-N 3.28Å; M82-R84 PolarHBondContact O-N 3.34Å
83K39.6Very low36.3Very low201 Ų201157.7 Ų157.787%0.87477%0.765SS**  trans-6497.4171.7-91.1-176.7171.8176.70111.2I81 R85I81-K83 PolarHBondContact O-N 2.91Å; K83-R85 PolarHBondContact O-N 3.37Å
84R35.6Very low36.2Very low240 Ų240154.6 Ų154.691%0.90675%0.752SS**  trans-69.8121.4166.2-131-177-67.4176.3-0.6108.6M82M82-R84 PolarHBondContact O-N 3.34Å
85R35.9Very low36.1Very low217 Ų217153.6 Ų153.682%0.81976%0.76SS**  trans-96.892-176-168.2-166.1-51-153.17109.8K83 H87K83-R85 PolarHBondContact O-N 3.37Å; R85-H87 PolarHBondContact O-N 3.47Å
86V34.8Very low35.8Very low122 Ų122154.4 Ų154.474%0.73976%0.756SS**  trans-70.2118.8172.5-177.70000108.6T88V86-T88 HydrophobicContact CG1-CG2 4.38Å
87H34.2Very low35.8Very low160 Ų160163.5 Ų163.574%0.74177%0.774SS**  trans-85.2129159.7-92.764.5000108R85R85-H87 PolarHBondContact O-N 3.47Å
88T41.3Very low35.6Very low95 Ų95166.4 Ų166.458%0.58378%0.777SS**  trans-111.6126.3157.238.70000106.9V86 W90V86-T88 HydrophobicContact CG1-CG2 4.38Å; T88-W90 PolarHBondContact OG1-NE1 3.14Å
89H35.5Very low35.3Very low153 Ų153162.1 Ų162.171%0.70877%0.773SS**  trans-79.1135.8172.4-153.2-111.2000107.8D91H89-D91 IonicContact CE1-OD1 3.59Å; H89-D91 PolarHBondContact CE1-OD1 2.73Å; H89-D91 IonicContact CE1-OD2 3Å; H89-D91 PolarHBondContact CE1-OD2 3.2Å; H89-D91 IonicContact CG-OD2 2.73Å; H89-D91 VanDerWaalsContact ND1-CG 3.29Å; H89-D91 IonicContact ND1-OD1 2.81Å; H89-D91 PolarHBondContact ND1-OD1 3.19Å; H89-D91 IonicContact ND1-OD2 2.82Å; H89-D91 PolarHBondContact ND1-OD2 3.23Å
90W34.8Very low35.1Very low207 Ų207160.4 Ų160.478%0.78477%0.773SS**  trans-124.788.7176-69.493.9000108.1T88 V92T88-W90 PolarHBondContact OG1-NE1 3.14Å; W90-V92 HydrophobicContact CB-CG2 4.32Å; W90-V92 PolarHBondContact O-N 3.08Å
91D33.1Very low34.8Very low138 Ų138156.3 Ų156.374%0.73878%0.777SS**  trans-72.493.2172.8-71.9-66.5000109.8H89H89-D91 IonicContact CE1-OD1 3.59Å; H89-D91 PolarHBondContact CE1-OD1 2.73Å; H89-D91 IonicContact CE1-OD2 3Å; H89-D91 PolarHBondContact CE1-OD2 3.2Å; H89-D91 IonicContact CG-OD2 2.73Å; H89-D91 VanDerWaalsContact ND1-CG 3.29Å; H89-D91 IonicContact ND1-OD1 2.81Å; H89-D91 PolarHBondContact ND1-OD1 3.19Å; H89-D91 IonicContact ND1-OD2 2.82Å; H89-D91 PolarHBondContact ND1-OD2 3.23Å
92V39.1Very low34.5Very low100 Ų100154.3 Ų154.361%0.60678%0.776SS**  trans-102.190179.61770000108.8W90 I94W90-V92 HydrophobicContact CB-CG2 4.32Å; W90-V92 PolarHBondContact O-N 3.08Å; V92-I94 HydrophobicContact CG1-CD1 3.54Å; V92-I94 HydrophobicContact CG1-CG1 3.74Å; V92-I94 PolarHBondContact O-N 3.21Å; V92-I94 VanDerWaalsContact O-N 3.08Å
93N29.3Very low35Very low159 Ų159155.1 Ų155.185%0.8578%0.778SS**  trans-80.283.3179-171.613.9000111.2
94I33.8Very low34.8Very low119 Ų119152.7 Ų152.761%0.6178%0.775SS**  trans-93.6109.1173.2-67.7163.4000109.4V92 F96V92-I94 HydrophobicContact CG1-CD1 3.54Å; V92-I94 HydrophobicContact CG1-CG1 3.74Å; V92-I94 PolarHBondContact O-N 3.21Å; V92-I94 VanDerWaalsContact O-N 3.08Å; I94-F96 HydrophobicContact CG2-CD2 3.96Å; I94-F96 HydrophobicContact CG2-CE2 4.07Å; I94-F96 PolarHBondContact O-N 3.13Å
95S31.3Very low35.5Very low110 Ų110144.6 Ų144.677%0.76977%0.766SS**  trans-81109.5165.447.40000110.1R97S95-R97 PolarHBondContact O-N 2.71Å
96F30.2Very low35.4Very low185 Ų185141.5 Ų141.581%0.81177%0.765SS**  trans-67.3129168.5-92.4-106.8000110.1I94I94-F96 HydrophobicContact CG2-CD2 3.96Å; I94-F96 HydrophobicContact CG2-CE2 4.07Å; I94-F96 PolarHBondContact O-N 3.13Å
97R35.8Very low35.9Very low243 Ų243142.6 Ų142.692%0.91777%0.766SS**  trans-109.6128.6149.4-90.3-170.9167.3-137-1.9107.9S95 A99S95-R97 PolarHBondContact O-N 2.71Å; R97-A99 PolarHBondContact O-N 2.85Å
98E36.1Very low36.4Very low184 Ų184139.6 Ų139.686%0.8676%0.761SS**  trans-70.2124.1-178.8-65.1171.3116.800110.5
99A32.1Very low36.6Very low90 Ų90140 Ų14074%0.74476%0.764SS**  trans-114.286.1167.300000107.9R97 C101R97-A99 PolarHBondContact O-N 2.85Å; A99-C101 PolarHBondContact O-N 3.31Å; A99-C101 VanDerWaalsContact O-N 3.1Å
100S32.5Very low37.1Very low109 Ų109138.7 Ų138.776%0.76276%0.761SS**  trans-67.2107-179-61.30000110.9S102S100-S102 PolarHBondContact O-N 3.35Å
101C29.5Very low37.7Very low131 Ų131135.6 Ų135.689%0.88576%0.758SS**  trans-67.990.8172.6-66.50000110.4A99 Q103A99-C101 PolarHBondContact O-N 3.31Å; A99-C101 VanDerWaalsContact O-N 3.1Å; C101-Q103 PolarHBondContact O-N 3.17Å
102S34.6Very low38.1Very low108 Ų108133.8 Ų133.876%0.75576%0.757SS**  trans-73.9119.8167.2-176.60000109.4S100 D104S100-S102 PolarHBondContact O-N 3.35Å; S102-D104 PolarHBondContact O-N 3.25Å
103Q45.8Very low38.2Very low186 Ų186133 Ų13387%0.86976%0.755SS**  trans-93.888.3-179.8-178-175.1-4.900109.9C101C101-Q103 PolarHBondContact O-N 3.17Å
104D34.9Very low38.8Very low151 Ų151130.8 Ų130.881%0.80775%0.748SS**  trans-143119.7167.1-99.1-49.8000110.7S102S102-D104 PolarHBondContact O-N 3.25Å
105G50.7Low39.2Very low70 Ų70133.8 Ų133.872%0.72276%0.758SS**  trans-103.5105.5-177.100000112.2
106N35.2Very low39.9Very low151 Ų151139.3 Ų139.381%0.80776%0.763SS**  trans-155.5115.6161.9-96.8-57.9000110.8
107L45.3Very low40.2Very low146 Ų146135.6 Ų135.676%0.76476%0.76SS**THydrogen-bonded Turntrans-100.395.7178.5-176.969.1000110L110L107-L110 HydrophobicContact CD1-CB 4.5Å; L107-L110 HydrophobicContact CD1-CD1 4.07Å
108P44.4Very low40.6Very low97 Ų97135.1 Ų135.163%0.6376%0.758SS**THydrogen-bonded Turn-138.9-5.9123.235.8-24.5000114.5L110P108-L110 PolarHBondContact O-N 3.19Å
109T43.8Very low40.8Very low104 Ų104134.5 Ų134.564%0.63875%0.754SS**THydrogen-bonded Turntrans-79.2-18.5-165.6-35.20000114.9I111 S112T109-I111 VanDerWaalsContact C-N 3.32Å; T109-I111 PolarHBondContact O-N 3.18Å; T109-S112 PolarHBondContact O-N 3.1Å
110L46Very low40.9Very low124 Ų124138.7 Ų138.765%0.64976%0.763SS**THydrogen-bonded Turntrans-67.5-26.2-171.6-73.2173.7000114.6L107 P108 S112 S113L107-L110 HydrophobicContact CD1-CB 4.5Å; L107-L110 HydrophobicContact CD1-CD1 4.07Å; P108-L110 PolarHBondContact O-N 3.19Å; L110-S112 VanDerWaalsContact C-N 3.26Å; L110-S112 PolarHBondContact O-N 3.09Å; L110-S113 PolarHBondContact O-N 3.05Å
111I47.8Very low41.1Very low142 Ų142139 Ų13973%0.72876%0.76SS**Hα-helixtrans-65.9-30.7-179-62.5178.2000111.4T109 S113T109-I111 VanDerWaalsContact C-N 3.32Å; T109-I111 PolarHBondContact O-N 3.18Å; I111-S113 VanDerWaalsContact C-N 3.32Å; I111-S113 PolarHBondContact O-N 2.92Å
112S42.3Very low41.4Very low101 Ų101140.1 Ų140.171%0.70676%0.755SS**Hα-helixtrans-77.8-10.5-180-59.10000114.7T109 L110T109-S112 PolarHBondContact O-N 3.1Å; L110-S112 VanDerWaalsContact C-N 3.26Å; L110-S112 PolarHBondContact O-N 3.09Å
113S40.4Very low41.6Very low82 Ų82140.9 Ų140.957%0.57376%0.757SS**Hα-helixtrans-87.7-38.1-178.6-163.90000112.6L110 I111 H115 R116L110-S113 PolarHBondContact O-N 3.05Å; I111-S113 VanDerWaalsContact C-N 3.32Å; I111-S113 PolarHBondContact O-N 2.92Å; S113-H115 PolarHBondContact O-N 3.03Å; S113-R116 PolarHBondContact O-N 3.11Å; S113-R116 VanDerWaalsContact O-N 3.09Å
114V41.8Very low41.1Very low114 Ų114140 Ų14069%0.69175%0.753SS**Hα-helixtrans-60.5-31.8-174.9-179.20000112.4R116V114-R116 VanDerWaalsContact C-N 3.25Å; V114-R116 PolarHBondContact O-N 2.77Å
115H44Very low41.1Very low181 Ų181141.9 Ų141.984%0.83876%0.756SS**THydrogen-bonded Turntrans-73.8-4.4179.6-101.8-84.6000115.6S113S113-H115 PolarHBondContact O-N 3.03Å
116R45.3Very low40.2Very low227 Ų227147.7 Ų147.786%0.85777%0.765SS**THydrogen-bonded Turntrans-106.9-6.9-179.3-141.6171.2-170.2161.73.7114.9S113 V114 R118S113-R116 PolarHBondContact O-N 3.11Å; S113-R116 VanDerWaalsContact O-N 3.09Å; V114-R116 VanDerWaalsContact C-N 3.25Å; V114-R116 PolarHBondContact O-N 2.77Å; R116-R118 PolarHBondContact O-N 2.93Å
117S36.8Very low39.9Very low107 Ų107146.1 Ų146.175%0.74877%0.765SS**  trans-98.146.6-177.3-169.80000114
118R42.9Very low39.1Very low233 Ų233149 Ų14988%0.87977%0.766SS**  trans-120.126.1171.5-75.1-164176.9-141.61.9113.8R116R116-R118 PolarHBondContact O-N 2.93Å
119H42Very low38.3Very low170 Ų170150.6 Ų150.679%0.78778%0.778SS**  trans-137.774.2176.5-89.1-80000112.6
120L33.2Very low37.4Very low178 Ų178152 Ų15293%0.93278%0.777SS**  trans-141.487.3151.4-77.9-176.6000107.9
121V35.8Very low36.6Very low115 Ų115155.5 Ų155.570%0.69779%0.788SS**  trans-80.3141168.6177.20000107.8
122M37Very low35.7Very low156 Ų156157.3 Ų157.377%0.76879%0.793SS**  trans-69.6150.3177-72.4-65.5-68.700110.9E124M122-E124 PolarHBondContact O-N 3.48Å
123P38Very low35.3Very low123 Ų123163.6 Ų163.680%0.79980%0.801SS**  trans-66.5107.7-180-20.633.7000112.1
124E36.1Very low34.7Very low168 Ų168162.6 Ų162.679%0.78580%0.804SS**  trans-78.1143.7175.2-68.3167.4148.500110.9M122M122-E124 PolarHBondContact O-N 3.48Å
125H34.2Very low33.9Very low191 Ų191162.8 Ų162.888%0.88481%0.81SS**  trans-71134.8-175.1-120.8-98.8000111.6S127H125-S127 PolarHBondContact O-N 3.46Å; H125-S127 VanDerWaalsContact O-N 3.16Å
126Q31.4Very low33.4Very low192 Ų192161 Ų16190%0.89781%0.807SS**  trans-68.7111.8179-68.6-176.9-100112.1
127S30.1Very low32.6Very low117 Ų117156.7 Ų156.782%0.81880%0.796SS**  trans-121.193.5160.951.50000109.5H125 C129H125-S127 PolarHBondContact O-N 3.46Å; H125-S127 VanDerWaalsContact O-N 3.16Å; S127-C129 PolarHBondContact O-N 2.67Å
128R28.1Very low32.4Very low206 Ų206159.2 Ų159.278%0.77780%0.799SS**  trans-90.4103.1-170.3-172.1-175.2-178.8-151.2-1.1112.5E130R128-E130 IonicContact CZ-OE2 3.98Å; R128-E130 IonicContact NE-OE2 2.67Å; R128-E130 PolarHBondContact NE-OE2 2.79Å; R128-E130 IonicContact NH2-OE2 3.96Å; R128-E130 PolarHBondContact NH2-OE2 2.93Å
129C27.4Very low31.7Very low131 Ų131151.6 Ų151.689%0.88579%0.793SS**  trans-132.383164-81.10000110.5S127S127-C129 PolarHBondContact O-N 2.67Å
130E25.4Very low31.2Very low133 Ų133151.6 Ų151.662%0.62180%0.798SS**  trans-81.6118.6174.2-69.2170.898.300110.5R128R128-E130 IonicContact CZ-OE2 3.98Å; R128-E130 IonicContact NE-OE2 2.67Å; R128-E130 PolarHBondContact NE-OE2 2.79Å; R128-E130 IonicContact NH2-OE2 3.96Å; R128-E130 PolarHBondContact NH2-OE2 2.93Å
131F27.9Very low31Very low198 Ų198154.3 Ų154.387%0.86880%0.796SS**  trans-113.593.1162.4-157.9-83000109.6R133F131-R133 PolarHBondContact O-N 2.89Å
132Q29.3Very low31.7Very low180 Ų180154.2 Ų154.284%0.84180%0.798SS**  trans-81115.2-171.2-163.5171.627.200111.1
133R33.4Very low31.4Very low233 Ų233152 Ų15288%0.87981%0.805SS**  trans-111.3121.2166.9-175.6-176.1-67.6-168.5-0.2108.7F131F131-R133 PolarHBondContact O-N 2.89Å
134G28.5Very low31Very low61 Ų61150 Ų15063%0.62981%0.805SS**  trans-135.6131.7176.800000111.8
135S26.3Very low31.1Very low118 Ų118149.3 Ų149.383%0.82581%0.807SS**  trans63155.1169.6-670000117.6
136L31.4Very low31.2Very low145 Ų145147.9 Ų147.976%0.75981%0.805SS**  cis-162.2-175.9-31.4-164.258.9000106.5
137E30.1Very low31.4Very low136 Ų136145.2 Ų145.264%0.63680%0.797SS**  trans77.9109.7164.1-58.1-55.6107.800119.9
138I31.2Very low31.5Very low159 Ų159143.4 Ų143.482%0.81580%0.796SS**  36.7124.8125.5-52.9-178.9000119
139G28Very low32Very low73 Ų73140.7 Ų140.775%0.75379%0.79SS**  trans174.3143.1156.100000114.9
140L31.5Very low32.4Very low170 Ų170145 Ų14589%0.8979%0.788SS**  trans-121.3148.1175-77.3170.1000111.7
141R29.8Very low32.7Very low236 Ų236146.4 Ų146.489%0.89180%0.799SS**  trans75.2163.5162.8-78.7-136.4-147.9840.9119.5
142P51.6Low32.8Very low113 Ų113140.5 Ų140.573%0.73479%0.794SS**  trans-119.8-172.2-160.744.7-32.7000115
143A29.7Very low32.7Very low110 Ų110144 Ų14491%0.90980%0.8SS**  trans83.6142.4167.500000117.6
144G30.5Very low32.5Very low79 Ų79137.6 Ų137.681%0.81479%0.791SS**  trans146.4107.917500000114.1
145D37.9Very low33.3Very low155 Ų155140.3 Ų140.383%0.82980%0.797SS**  trans-73.3164163.9-69.2-77.4000112
146L35.8Very low33.6Very low160 Ų160145.4 Ų145.484%0.83880%0.798SS**  161.5136.6118.1-81.4168.9000115.4
147L35.4Very low33.5Very low137 Ų137145.7 Ų145.772%0.71780%0.799SS**  trans6.9129.4158-79.360.7000122.2
148G32.1Very low33.3Very low79 Ų79144.3 Ų144.381%0.81480%0.804SS**  trans-122.6-39.9175.900000120.4
149K39.4Very low33.2Very low149 Ų149142.3 Ų142.365%0.64880%0.804SS**  trans68.5111.6166.6-56170.2-177166.70122
150R34.5Very low33.4Very low220 Ų220146.2 Ų146.283%0.8381%0.808SS**  trans77.2158.9147.9-56.1176.6-67.6-1474.3117.8
151L32.8Very low33.2Very low163 Ų163143.7 Ų143.785%0.85380%0.803SS**  cis-135.314810.6-77.580.9000113.9
152G28.8Very low33.1Very low75 Ų75142.4 Ų142.477%0.77381%0.805SS**  trans65.8148.7141.900000120.5
153R29Very low32Very low254 Ų254143.1 Ų143.196%0.95881%0.812SS**  cis-144.9165.9-4.9-70.2-174.4176.3-165.2-0.2109.6
154S28.7Very low32.1Very low98 Ų98145 Ų14569%0.68580%0.802SS**  trans-131.5156171.9-167.70000109.3R156S154-R156 PolarHBondContact OG-N 3.24Å
155P45.9Very low32.1Very low117 Ų117149.2 Ų149.276%0.7680%0.798SS**  -118.8149.682.9-123.4000113.2
156R31.6Very low32Very low226 Ų226153.6 Ų153.685%0.85380%0.803SS**  59.8143.879.6-51.8-165.6-169.9-128.111.5113.4S154S154-R156 PolarHBondContact OG-N 3.24Å
157I29.7Very low31.7Very low150 Ų150150.4 Ų150.477%0.76980%0.799SS**  cis-144.3143.624.6-64.7169.2000107.1
158S26.2Very low31.5Very low108 Ų108154.5 Ų154.576%0.75581%0.805SS**  cis90.182.724.7179.60000117.6
159S27.9Very low31.6Very low116 Ų116155.4 Ų155.481%0.81180%0.799SS**  trans-175.5133.3142.855.10000113.7
160D33.2Very low31.1Very low155 Ų155155.7 Ų155.783%0.82980%0.803SS**  trans-93.1179.8166.4-64.6-76.6000112.5
161C26.3Very low31Very low118 Ų118150 Ų15080%0.79780%0.796SS**  trans113.9114.9149.6-63.20000120.1
162F29Very low31.6Very low209 Ų209148.4 Ų148.492%0.91780%0.796SS**  trans7.1138.7142.6-68.1-94.7000121.8
163S28.4Very low31.5Very low127 Ų127153.7 Ų153.789%0.88880%0.8SS**  trans-155.3175.7130.5-139.80000113.3
164E30.4Very low31.4Very low150 Ų150146 Ų14670%0.70179%0.792SS**  trans-113.3-179.2-166-53.117150.600115.8
165K31.5Very low31.5Very low167 Ų167150 Ų15073%0.72680%0.799SS**  trans100.1119.2139.1-83.2174.4-179.273.90121.7
166R34.8Very low30.6Very low248 Ų248148.3 Ų148.394%0.93680%0.795SS**  trans-25.9140.5159.2-59.9170.4167.2-146.1-2.3119.7
167A31Very low30.6Very low92 Ų92145 Ų14576%0.7679%0.794SS**  -170.6138.8116.400000108.5
168R31Very low30.8Very low223 Ų223145.7 Ų145.784%0.84280%0.798SS**  47.8125.873.4-108-168.2-176.2-177.73111.8
169S34.1Very low30.9Very low99 Ų99148.4 Ų148.469%0.69280%0.803SS**  cis-166.9177.926.349.60000108.9
170E28.2Very low31.6Very low155 Ų155147.9 Ų147.972%0.72480%0.797SS**  cis-156.3-153.4-6.4-138.569.7108.100108.4
171S31.7Very low31.8Very low99 Ų99150.4 Ų150.469%0.69280%0.795SS**  trans-144.2167.2174.868.20000114.4
172P45.5Very low31.9Very low130 Ų130153.6 Ų153.684%0.84480%0.798SS**  trans-129.6163.5147.934.4-20.7000113.5
173Q27.4Very low32.8Very low186 Ų186150.2 Ų150.287%0.86979%0.789SS**  trans-111.9161.6-168.4-59159.9-87.500113
174A26.8Very low33.2Very low94 Ų94147.2 Ų147.278%0.77778%0.778SS**  trans-154.114114500000111.4
175E31Very low34Very low180 Ų180145.1 Ų145.184%0.84178%0.778SS**  trans-36.9154.3170.5-8679.7168.900116.5
176A27.5Very low35.1Very low82 Ų82143.2 Ų143.268%0.67879%0.785SS**  cis-160.2171.4-2.700000108.1
177L31.4Very low36.3Very low156 Ų156135 Ų13582%0.81776%0.759SS**  cis-147.7147.732.4-79161.5000112.3
178L33.1Very low38.3Very low166 Ų166132.7 Ų132.787%0.86974%0.739SS**  trans59114.8160.5-56.7-177.6000119.8
179L29.1Very low40Very low164 Ų164126.7 Ų126.786%0.85973%0.729SS**  trans-104176.6167.4-73.1172.6000109.4
180P43.3Very low41.8Very low106 Ų106127.8 Ų127.869%0.68872%0.723SS**  cis-141.5171.8-45.340.7-25.6000114.4
181R35.9Very low44Very low208 Ų208123 Ų12379%0.78570%0.702SS**  trans40.9113.8134.3-174.4-173-170.1155.22.1119.2
182E28.8Very low46.3Very low184 Ų184124.3 Ų124.386%0.8670%0.697SS**  trans-124.2137.1133.2-94.6-56.3162.500110.8
183L47.2Very low48Very low139 Ų139125.6 Ų125.673%0.72869%0.686SS**  trans-108.281.5179.6-178.767.5000108.1
184G36.9Very low50.5Low63 Ų63124.5 Ų124.565%0.64967%0.674SS**  trans-56.2130.6-176.800000112.1
185P49Very low53Low107 Ų107127.7 Ų127.770%0.69567%0.666SS**  trans-67.2153.3179.228.6-35.1000111.3M187P185-M187 PolarHBondContact O-N 3.2Å
186S52.9Low55.4Low126 Ų126123.3 Ų123.388%0.88165%0.648SS**  trans-62.7110.3167.3-174.20000108.8
187M60.6Low57.5Low77 Ų77122.7 Ų122.738%0.37964%0.636SS.*  trans-66.7139.8177.5-63.7-63-48.100110.1P185 D191P185-M187 PolarHBondContact O-N 3.2Å; M187-D191 HydrophobicContact CE-CB 3.5Å; M187-D191 VanDerWaalsContact CE-CB 3.5Å
188A72.8Confident59.4Low43 Ų43118.2 Ų118.236%0.35562%0.618SS.*  trans-64.3148.1170.200000111E190 D191 H192A188-E190 PolarHBondContact O-N 3.45Å; A188-E190 VanDerWaalsContact O-N 3.12Å; A188-D191 PolarHBondContact O-N 2.99Å; A188-D191 VanDerWaalsContact O-N 3.13Å; A188-H192 PolarHBondContact O-N 2.88Å
189P65.9Low61.1Low96 Ų96113.1 Ų113.162%0.62360%0.599SS**Hα-helixtrans-52.2-34.6178.5-27.335000113.8D191 H192 Y193P189-D191 PolarHBondContact O-N 3.41Å; P189-H192 WeakPolarHBondContact O-CB 3.3Å; P189-H192 PolarHBondContact O-N 2.92Å; P189-Y193 PolarHBondContact O-N 3.3Å
190E72.1Confident62.9Low122 Ų122111 Ų11157%0.5759%0.588SS**Hα-helixtrans-67.4-36-177.1-63.264.9-139.200112A188 Y193 R194A188-E190 PolarHBondContact O-N 3.45Å; A188-E190 VanDerWaalsContact O-N 3.12Å; E190-Y193 PolarHBondContact O-N 3.17Å; E190-R194 WeakPolarHBondContact O-CG 3.34Å; E190-R194 PolarHBondContact O-N 2.65Å
191D75.8Confident63.7Low54 Ų54109.6 Ų109.629%0.28958%0.581SS.*Hα-helixtrans-80.2-27.4176.6-74.1-32.5000112.3M187 A188 P189 R194 R195M187-D191 HydrophobicContact CE-CB 3.5Å; M187-D191 VanDerWaalsContact CE-CB 3.5Å; A188-D191 PolarHBondContact O-N 2.99Å; A188-D191 VanDerWaalsContact O-N 3.13Å; P189-D191 PolarHBondContact O-N 3.41Å; D191-R194 IonicContact OD1-CZ 2.83Å; D191-R194 IonicContact OD1-NE 3.35Å; D191-R194 PolarHBondContact OD1-NE 3.11Å; D191-R194 IonicContact OD1-NH2 2.63Å; D191-R194 PolarHBondContact OD1-NH2 2.91Å; D191-R195 WeakPolarHBondContact O-CB 3.42Å; D191-R195 WeakPolarHBondContact O-CG 3.37Å; D191-R195 PolarHBondContact O-N 3Å
192H80.4Confident64.6Low127 Ų127107.2 Ų107.259%0.58858%0.579SS**Hα-helixtrans-64.4-45.6166.7-174.483.6000110.5A188 P189 R195 L196A188-H192 PolarHBondContact O-N 2.88Å; P189-H192 WeakPolarHBondContact O-CB 3.3Å; P189-H192 PolarHBondContact O-N 2.92Å; H192-R195 PolarHBondContact O-N 3.3Å; H192-L196 WeakPolarHBondContact O-CB 3.49Å; H192-L196 PolarHBondContact O-N 2.94Å
193Y79.6Confident65.4Low157 Ų157102.2 Ų102.262%0.61657%0.569SS**Hα-helixtrans-59.7-47.5174.4-179.7-100.7000112.1P189 E190 R195 L196 V197P189-Y193 PolarHBondContact O-N 3.3Å; E190-Y193 PolarHBondContact O-N 3.17Å; Y193-R195 PolarHBondContact O-N 3.44Å; Y193-L196 PolarHBondContact O-N 3.39Å; Y193-V197 HydrophobicContact CD1-CG2 4.22Å; Y193-V197 HydrophobicContact CE1-CG2 3.79Å; Y193-V197 HydrophobicContact CE2-CG2 4.16Å; Y193-V197 WeakPolarHBondContact O-CG2 3.31Å; Y193-V197 PolarHBondContact O-N 3.06Å
194R80.8Confident65Low163 Ų163100.1 Ų100.162%0.61557%0.566SS**Hα-helixtrans-62.4-41.2178.2-74.8-160.8-65.7177.2-2.1113E190 D191 L196 V197 S198E190-R194 WeakPolarHBondContact O-CG 3.34Å; E190-R194 PolarHBondContact O-N 2.65Å; D191-R194 IonicContact OD1-CZ 2.83Å; D191-R194 IonicContact OD1-NE 3.35Å; D191-R194 PolarHBondContact OD1-NE 3.11Å; D191-R194 IonicContact OD1-NH2 2.63Å; D191-R194 PolarHBondContact OD1-NH2 2.91Å; R194-L196 VanDerWaalsContact C-N 3.31Å; R194-L196 PolarHBondContact O-N 3.12Å; R194-V197 PolarHBondContact O-N 2.86Å; R194-S198 PolarHBondContact O-N 3.19Å; R194-S198 PolarHBondContact O-OG 3.18Å
195R79.6Confident65.5Low161 Ų161103.7 Ų103.761%0.60858%0.576SS**Hα-helixtrans-61.8-38.8173.9-75.2178.8-178.3170.35112.3D191 H192 Y193 S198 A199D191-R195 WeakPolarHBondContact O-CB 3.42Å; D191-R195 WeakPolarHBondContact O-CG 3.37Å; D191-R195 PolarHBondContact O-N 3Å; H192-R195 PolarHBondContact O-N 3.3Å; Y193-R195 PolarHBondContact O-N 3.44Å; R195-S198 PolarHBondContact O-N 3.16Å; R195-A199 WeakPolarHBondContact O-CB 3.31Å; R195-A199 PolarHBondContact O-N 2.97Å
196L81.8Confident64.8Low89 Ų89107.9 Ų107.947%0.46658%0.583SS.*Hα-helixtrans-67.8-39.9177.6-169.6148.1000111.8H192 Y193 R194 L200H192-L196 WeakPolarHBondContact O-CB 3.49Å; H192-L196 PolarHBondContact O-N 2.94Å; Y193-L196 PolarHBondContact O-N 3.39Å; R194-L196 VanDerWaalsContact C-N 3.31Å; R194-L196 PolarHBondContact O-N 3.12Å; L196-L200 HydrophobicContact CD2-CD1 3.73Å; L196-L200 HydrophobicContact CD2-CG 4.49Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 3.47Å; L196-L200 VanDerWaalsContact O-N 3.14Å
197V71Confident64.2Low68 Ų68109.9 Ų109.941%0.41258%0.579SS.*Hα-helixtrans-64.9-43173.2173.40000111.6Y193 R194 L200 S201Y193-V197 HydrophobicContact CD1-CG2 4.22Å; Y193-V197 HydrophobicContact CE1-CG2 3.79Å; Y193-V197 HydrophobicContact CE2-CG2 4.16Å; Y193-V197 WeakPolarHBondContact O-CG2 3.31Å; Y193-V197 PolarHBondContact O-N 3.06Å; R194-V197 PolarHBondContact O-N 2.86Å; V197-L200 PolarHBondContact O-N 3.26Å; V197-S201 PolarHBondContact O-N 3.32Å; V197-S201 VanDerWaalsContact O-N 3.15Å
198S71Confident63Low62 Ų62110.6 Ų110.643%0.43458%0.584SS.*Hα-helixtrans-61-48175.3-66.50000112.3R194 R195 L200 S201 E202R194-S198 PolarHBondContact O-N 3.19Å; R194-S198 PolarHBondContact O-OG 3.18Å; R195-S198 PolarHBondContact O-N 3.16Å; S198-L200 VanDerWaalsContact C-N 3.27Å; S198-L200 PolarHBondContact O-N 2.91Å; S198-S201 WeakPolarHBondContact O-CA 3.45Å; S198-S201 PolarHBondContact O-N 2.81Å; S198-S201 PolarHBondContact O-OG 3.49Å; S198-E202 PolarHBondContact O-N 3.44Å; S198-E202 VanDerWaalsContact O-N 3.11Å
199A69.8Low61.6Low59 Ų59113.9 Ų113.949%0.48860%0.602SS.*Hα-helixtrans-61.4-33.617900000113R195 S201 A203R195-A199 WeakPolarHBondContact O-CB 3.31Å; R195-A199 PolarHBondContact O-N 2.97Å; A199-S201 VanDerWaalsContact C-N 3.34Å; A199-A203 PolarHBondContact O-N 2.96Å
200L66.3Low60.4Low120 Ų120117.4 Ų117.463%0.62861%0.61SS**Hα-helixtrans-70.7-28172.9-71.3172000113L196 V197 S198L196-L200 HydrophobicContact CD2-CD1 3.73Å; L196-L200 HydrophobicContact CD2-CG 4.49Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 3.47Å; L196-L200 VanDerWaalsContact O-N 3.14Å; V197-L200 PolarHBondContact O-N 3.26Å; S198-L200 VanDerWaalsContact C-N 3.27Å; S198-L200 PolarHBondContact O-N 2.91Å
201S60.7Low58.9Low77 Ų77122.1 Ų122.154%0.53862%0.622SS.*Hα-helixtrans-79.4-28177.370.50000113.9V197 S198 A199V197-S201 PolarHBondContact O-N 3.32Å; V197-S201 VanDerWaalsContact O-N 3.15Å; S198-S201 WeakPolarHBondContact O-CA 3.45Å; S198-S201 PolarHBondContact O-N 2.81Å; S198-S201 PolarHBondContact O-OG 3.49Å; A199-S201 VanDerWaalsContact C-N 3.34Å
202E53.2Low57.2Low158 Ų158126.7 Ų126.774%0.73865%0.646SS**Hα-helixtrans-79.3-21.7176.5-67.9177.4162.900112.6S198 S204S198-E202 PolarHBondContact O-N 3.44Å; S198-E202 VanDerWaalsContact O-N 3.11Å; E202-S204 VanDerWaalsContact C-N 3.33Å; E202-S204 PolarHBondContact O-N 3.41Å
203A47.3Very low55Low78 Ų78130.4 Ų130.465%0.64566%0.656SS**THydrogen-bonded Turntrans-79.6-3.5-176.100000115.2A199 T205A199-A203 PolarHBondContact O-N 2.96Å; A203-T205 PolarHBondContact O-N 3Å
204S38.2Very low52.9Low96 Ų96132.1 Ų132.167%0.67167%0.67SS**  trans-96.647.1-171.774.20000115E202 F206E202-S204 VanDerWaalsContact C-N 3.33Å; E202-S204 PolarHBondContact O-N 3.41Å; S204-F206 PolarHBondContact O-N 2.97Å
205T47.2Very low50.7Low138 Ų138133.2 Ų133.285%0.84769%0.686SS**  trans-8685.2164.256.20000110.1A203A203-T205 PolarHBondContact O-N 3Å
206F34.4Very low48.2Very low194 Ų194128.8 Ų128.885%0.85169%0.691SS**  trans-126.7137.5170.6-168.3-95.8000110.3S204S204-F206 PolarHBondContact O-N 2.97Å
207E40.5Very low45.9Very low169 Ų169132.7 Ų132.779%0.7971%0.711SS**  trans-70.1150.5-167.7-74.3-110.178.300114.3P209E207-P209 WeakPolarHBondContact O-CD 3.46Å
208D34.7Very low44.5Very low92 Ų92134.8 Ų134.849%0.49273%0.726SS.*  trans-77.8119.4172.2166.936.7000111.6Q210D208-Q210 VanDerWaalsContact C-N 3.26Å; D208-Q210 PolarHBondContact O-N 3.12Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.36Å; D208-Q210 WeakPolarHBondContact OD1-CG 3.33Å; D208-Q210 PolarHBondContact OD1-N 3.31Å
209P43.6Very low42.6Very low112 Ų112136.2 Ų136.273%0.72774%0.737SS**G310 helixtrans-71.3-7.2178.9-19.934.2000115.8E207 R211E207-P209 WeakPolarHBondContact O-CD 3.46Å; P209-R211 VanDerWaalsContact C-N 3.26Å; P209-R211 PolarHBondContact O-N 3.22Å
210Q39.8Very low40.8Very low169 Ų169142.6 Ų142.679%0.7976%0.756SS**G310 helixtrans-74.8-4.6-169.2-65.8-1632.500115.6D208 L212D208-Q210 VanDerWaalsContact C-N 3.26Å; D208-Q210 PolarHBondContact O-N 3.12Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.36Å; D208-Q210 WeakPolarHBondContact OD1-CG 3.33Å; D208-Q210 PolarHBondContact OD1-N 3.31Å; Q210-L212 PolarHBondContact O-N 3.01Å
211R42.4Very low39Very low222 Ų222140.4 Ų140.484%0.83876%0.762SS**G310 helixtrans-84.71.8-172.8-52.8-164.174.4153.13.6116.1P209P209-R211 VanDerWaalsContact C-N 3.26Å; P209-R211 PolarHBondContact O-N 3.22Å
212L39.8Very low37.6Very low150 Ų150146.1 Ų146.179%0.78578%0.78SS**G310 helixtrans-99.717-171.7-147.285.3000116.7Q210Q210-L212 PolarHBondContact O-N 3.01Å
213Y34.1Very low36.8Very low205 Ų205146.2 Ų146.280%0.80479%0.786SS**SBendtrans-137.7141.6163.6-72.4-77000110.3
214H35.5Very low37.1Very low193 Ų193148 Ų14889%0.89479%0.791SS**  trans94.352.1-169.1-54.897.7000117.1
215L34.7Very low37.6Very low185 Ų185147.8 Ų147.897%0.96979%0.787SS**  trans-121.8114.9150.1-102.5168.1000109.3
216G26.4Very low37Very low68 Ų68151.8 Ų151.870%0.70179%0.787SS**  trans-159103.3-175.300000111.9
217L32.3Very low37Very low172 Ų172151.3 Ų151.390%0.90179%0.787SS**  trans75.1153.4174-57.9178.1000116.4
218P41.9Very low36.7Very low111 Ų111150.7 Ų150.772%0.72179%0.789SS**  trans-132.4-179.9-139.740.9-24.1000116.2
219S31.1Very low37.9Very low93 Ų93151 Ų15165%0.6580%0.796SS**  trans131126.5131.6-76.80000117.6
220H32.1Very low38Very low193 Ų193151.2 Ų151.289%0.89480%0.798SS**  trans52.3124.7147.7-66.4-79000121
221G29Very low37.9Very low73 Ų73150.9 Ų150.975%0.75380%0.796SS**  trans-179.330.5175.600000119.7
222E31.9Very low37.6Very low197 Ų197148.4 Ų148.492%0.92179%0.793SS**  trans48102.9155.4-52.5-172.9133.200121.3
223D35.7Very low37.5Very low160 Ų160149.3 Ų149.386%0.85680%0.798SS**  trans-78174.1143.6-57.4-71.8000109.8
224P52.8Low37.9Very low117 Ų117145.1 Ų145.176%0.7680%0.796SS**  cis-139.4-14311.244.1-21.4000111.5
225P50.2Low38.4Very low91 Ų91141.7 Ų141.759%0.59179%0.794SS**  cis-139175.9-16.342-24.1000118.1
226W34.4Very low39.1Very low221 Ų221140.8 Ų140.884%0.83778%0.784SS**  trans60.5113.6154.4-55.3127.1000121.3
227H33.2Very low40Very low185 Ų185143.2 Ų143.286%0.85678%0.781SS**  -176.9152.894.4-99.2-76.7000111.6
228D34.3Very low40.6Very low155 Ų155142.2 Ų142.283%0.82978%0.776SS**  trans-123.1172.5-175.4-112.5-25.4000111.9
229P59.8Low40.9Very low99 Ų99143.9 Ų143.964%0.64378%0.778SS**  trans-98.5-175.8-13440.7-42.4000116.1
230P47Very low41.8Very low117 Ų117148.9 Ų148.976%0.7678%0.782SS**  -144.5138108.337.2-22.9000117.5
231H37.4Very low42.6Very low162 Ų162145.3 Ų145.375%0.7577%0.774SS**  trans34.4137.7137.8-69.5-92.3000124.8
232H37Very low43.4Very low170 Ų170152.5 Ų152.579%0.78778%0.778SS**  trans72.1110.4155.4-67.8-66.3000120.7
233L36.9Very low44Very low168 Ų168150.7 Ų150.788%0.8877%0.77SS**  -161.8169111-119.375.1000109.3
234P42.1Very low44.5Very low118 Ų118150.8 Ų150.877%0.76677%0.765SS**  trans-92.4160.1-160.136-37.9000116.6H236P234-H236 PolarHBondContact O-N 2.84Å
235S47.3Very low44.2Very low121 Ų121151.2 Ų151.285%0.84677%0.765SS**  trans-69116.7178.3-59.40000114.1
236H48.5Very low43.8Very low166 Ų166151.3 Ų151.377%0.76977%0.774SS**  trans-147.2-26154.6-152.4-84.7000115.1P234P234-H236 PolarHBondContact O-N 2.84Å
237D44.6Very low44.2Very low118 Ų118145.2 Ų145.263%0.63177%0.771SS**G310 helixtrans-88.5-7.3-171.5-76.6-56.8000116.8L239 R240D237-L239 PolarHBondContact O-N 3.23Å; D237-L239 VanDerWaalsContact O-N 3.12Å; D237-R240 PolarHBondContact O-N 3.35Å
238L45.9Very low44.6Very low152 Ų152140.4 Ų140.480%0.79676%0.763SS**G310 helixtrans-70.3-6.6-178.6-103.7168.1000115
239L47Very low44.8Very low145 Ų145137.4 Ų137.476%0.75976%0.76SS**G310 helixtrans-93.4-18.4178-65.7179.1000114.1D237D237-L239 PolarHBondContact O-N 3.23Å; D237-L239 VanDerWaalsContact O-N 3.12Å
240R50.8Low43.8Very low199 Ų199140.9 Ų140.975%0.75177%0.772SS**THydrogen-bonded Turntrans-76.1-32.8-176.4-173.4163.1-74.8165.1-1113.4D237D237-R240 PolarHBondContact O-N 3.35Å
241V48.8Very low43.3Very low117 Ų117146.7 Ų146.771%0.70978%0.779SS**THydrogen-bonded Turntrans-80.5-23.5-175.4179.30000113Q243V241-Q243 PolarHBondContact O-N 3.08Å
242R45.1Very low43.2Very low224 Ų224142.6 Ų142.685%0.84578%0.78SS**THydrogen-bonded Turntrans-84.7-3.6-173.7-155.7169.4-174.8-104.70.9114.6
243Q45Very low43.7Very low160 Ų160140.6 Ų140.675%0.74878%0.782SS**SBendtrans-101.8-16.7-174.2-161.1155.113.400115V241V241-Q243 PolarHBondContact O-N 3.08Å
244E47.3Very low43.4Very low161 Ų161138.6 Ų138.675%0.75278%0.782SS**SBendtrans-83-22.3-180-65.9-168.2123.700114.2A246E244-A246 VanDerWaalsContact C-N 3.27Å; E244-A246 PolarHBondContact O-N 3.13Å
245V46.2Very low42.9Very low127 Ų127136.5 Ų136.577%0.7778%0.782SS**THydrogen-bonded Turntrans-72.5-18.5-176.6-176.50000112.9
246A42Very low42.2Very low93 Ų93139.1 Ų139.177%0.76979%0.785SS**THydrogen-bonded Turntrans-84.7-9.1-176.200000114.9E244E244-A246 VanDerWaalsContact C-N 3.27Å; E244-A246 PolarHBondContact O-N 3.13Å
247A42.8Very low41.3Very low93 Ų93139.6 Ų139.677%0.76979%0.788SS**SBendtrans-103.4-4.3-170.500000115.2
248A40.6Very low40.5Very low84 Ų84137 Ų13769%0.69478%0.783SS**  trans-106.16.2-16600000115.8L250A248-L250 PolarHBondContact O-N 2.85Å
249A38.4Very low39.6Very low92 Ų92138.5 Ų138.576%0.7679%0.786SS**THydrogen-bonded Turntrans-90.511.5-170.300000116
250L39.5Very low38.9Very low172 Ų172139.4 Ų139.490%0.90179%0.791SS**THydrogen-bonded Turntrans-130.932.4-175-75.8177.9000115.3A248A248-L250 PolarHBondContact O-N 2.85Å
251R36.9Very low38.2Very low239 Ų239135.9 Ų135.990%0.90279%0.793SS**  trans-141.5110.4158.6-70-170.3-177.8145.14.5110.7
252G35.6Very low37.1Very low75 Ų75136.2 Ų136.277%0.77380%0.801SS**  trans-85139.717200000111.9
253P46Very low36.3Very low128 Ų128130.5 Ų130.583%0.83180%0.795SS**  trans-87.9147.1168.134.6-31.7000111.1
254S31.5Very low35.6Very low126 Ų126128.8 Ų128.888%0.88180%0.796SS**  trans-114.8132.8169.2-66.30000110.2
255G30.5Very low34.9Very low74 Ų74125.8 Ų125.876%0.76380%0.798SS**  trans90.2112.6166.700000116
256L33.6Very low34.2Very low176 Ų176123.2 Ų123.292%0.92180%0.798SS**  -163.5153.5110.1-102.2166.9000111.6
257E28.9Very low33.7Very low176 Ų176127.3 Ų127.382%0.82280%0.801SS**  trans-44.3159.4169.9-128.186.4123.500113.3
258A28Very low33.2Very low64 Ų64133 Ų13353%0.52980%0.803SS.*  cis-170.5-178.224.100000114.2
259H27.2Very low33Very low183 Ų183139.2 Ų139.285%0.84781%0.808SS**  trans73.6102.4152.2-58.7-49.9000121.4
260L32Very low33.4Very low165 Ų165142.7 Ų142.786%0.86481%0.806SS**  trans-86.3152.2149.6-65.1168.2000111.2
261P35.4Very low33.2Very low125 Ų125143.5 Ų143.581%0.81281%0.805SS**  trans-86.6165.1146.934.8-30.4000111.5
262S27.3Very low32.9Very low123 Ų123135.4 Ų135.486%0.8680%0.797SS**  trans-147177.1-166.4-171.40000113.9
263S28.5Very low32.7Very low104 Ų104140 Ų14073%0.72780%0.802SS**  trans77153.6178.3-134.20000115.3
264T29Very low32Very low125 Ų125137.7 Ų137.777%0.76779%0.794SS**  cis-128.9144.69.345.90000110.3
265A32.9Very low32.1Very low97 Ų97139.8 Ų139.880%0.80279%0.79SS**  74.5116.657.100000115.3
266G30.7Very low32Very low74 Ų74143.3 Ų143.376%0.76379%0.786SS**  trans-165.621.2-166.500000124.4
267Q33.3Very low31.8Very low178 Ų178145.6 Ų145.683%0.83278%0.783SS**  trans67172.8170.1-41.1-1717.900116.3
268R30.4Very low32Very low213 Ų213144.1 Ų144.180%0.80478%0.776SS**  cis-152.8140.87.5-154167.7-171.2-99.710.5114.5
269R37.8Very low32.2Very low214 Ų214144.5 Ų144.581%0.80879%0.786SS**  trans-26.3160157.3-67.6169172.7177.2-2.9117.2
270K45.8Very low32.4Very low165 Ų165141 Ų14172%0.71779%0.788SS**  cis-171.3175.321.7-135.5174.3-176.8-168.20114.3
271Q35.5Very low32.6Very low189 Ų189137.7 Ų137.788%0.88379%0.785SS**  trans80.4136.8157.5-73.7156.9-68.500118.7
272G31.3Very low33.1Very low70 Ų70137.7 Ų137.772%0.72279%0.785SS**  cis-163.6170.8-1.800000116.6
273L31.4Very low33.2Very low170 Ų170136.5 Ų136.589%0.8978%0.783SS**  trans-14.6151.3155.4-8464.7000117.6
274A31.8Very low33.4Very low80 Ų80136.8 Ų136.866%0.66179%0.791SS**  cis-170-166.2-6.400000108.5
275Q32Very low33.7Very low171 Ų171135.4 Ų135.480%0.79979%0.793SS**  cis-161.7170.54.6-152.1155.5-41.900112.1
276H28.2Very low34.2Very low147 Ų147136.7 Ų136.768%0.68179%0.793SS**  trans71.9109149-146.8-85000121.5E278H276-E278 IonicContact CE1-OE2 3.15Å; H276-E278 IonicContact ND1-OE2 3.37Å
277R30.8Very low34.1Very low224 Ų224138.8 Ų138.885%0.84580%0.796SS**  -148.2153.3126.5-162165.9-172.985.58.4110
278E32.2Very low34Very low145 Ų145139.5 Ų139.568%0.67880%0.797SS**  trans-66.8170179.5-57.9104.111600114.2H276H276-E278 IonicContact CE1-OE2 3.15Å; H276-E278 IonicContact ND1-OE2 3.37Å
279G32.6Very low34.1Very low72 Ų72133.8 Ų133.874%0.74279%0.789SS**  trans-135.6-142-175.600000114.6
280A31.9Very low33.5Very low109 Ų109133 Ų13390%0.90180%0.795SS**  trans71.7144.3-159.200000113
281A34.8Very low33.1Very low97 Ų97135.4 Ų135.480%0.80280%0.799SS**  cis-137.21710.100000110.4
282P46.9Very low32.7Very low124 Ų124133 Ų13381%0.80579%0.788SS**  trans-111.7173.6-150.142-37.7000118.2
283A29.9Very low33.1Very low99 Ų99136.4 Ų136.482%0.81879%0.789SS**  trans78.385.414400000121.2
284A33Very low33.4Very low109 Ų109134.3 Ų134.390%0.90179%0.786SS**  -165.1150.8126.200000110.3
285A33.9Very low33.5Very low97 Ų97138.6 Ų138.680%0.80279%0.792SS**  trans-157.6166.7178.300000110.5
286P43.3Very low33.7Very low123 Ų123136 Ų13680%0.79979%0.79SS**  cis-123.9167.6-6.738.6-24.7000114.1
287S29.8Very low34.2Very low118 Ų118134.5 Ų134.583%0.82579%0.793SS**  trans-152.7121.5159.5-168.10000111.5
288F29.7Very low34.9Very low194 Ų194129.7 Ų129.785%0.85179%0.791SS**  trans-92150.7164-91.1-135000107.9
289S32.3Very low35Very low92 Ų92131.2 Ų131.264%0.64380%0.803SS**  cis-153145.9-1.2-103.70000111.6
290E27.3Very low35.1Very low197 Ų197136 Ų13692%0.92181%0.811SS**  trans21.5129.9145.7-151.1171.5122.700121.2
291R35.5Very low35.2Very low217 Ų217136.1 Ų136.182%0.81981%0.805SS**  trans-148.2141.1169.4176.4171.6164.4139.86.3111.3
292E28.4Very low35.5Very low137 Ų137137.4 Ų137.464%0.6481%0.805SS**  trans74106.7166.8-81.4171.765.100121.3
293L39.6Very low35.4Very low142 Ų142139.7 Ų139.774%0.74381%0.805SS**  57.1144.9125.6-99.468.3000122.2
294P37.7Very low35.7Very low127 Ų127142.6 Ų142.683%0.82581%0.807SS**  -141.5166101.139.2-27.4000116.2
295Q34.1Very low35.5Very low170 Ų170141.4 Ų141.479%0.79480%0.797SS**PPolyproline II helixtrans-92.4156170.1-62.9176.3-39.500112.4
296P35.4Very low35.8Very low116 Ų116143.2 Ų143.275%0.75380%0.8SS**PPolyproline II helixtrans-95.4158.5153.935.5-29.9000112.6
297P38.9Very low35.6Very low116 Ų116145.5 Ų145.575%0.75380%0.8SS**PPolyproline II helixtrans-85.3165.1-167.634.3-37.7000115.4
298P44.9Very low36.2Very low123 Ų123145.9 Ų145.980%0.79980%0.797SS**PPolyproline II helixtrans-79.2146.5-178.832.7-36.1000113.5
299L33.9Very low36.6Very low176 Ų176141 Ų14192%0.92179%0.792SS**  trans-134155.8167.2-72.2176.7000111.2
300L35.1Very low37.1Very low173 Ų173144.2 Ų144.291%0.90680%0.802SS**PPolyproline II helixtrans-83.9155-159.2-64.8163.9000114.5
301S34.4Very low37.6Very low112 Ų112137.2 Ų137.278%0.78378%0.782SS**PPolyproline II helixtrans-73.1140.2173.7-420000112.9
302P40.8Very low38.1Very low124 Ų124132.5 Ų132.581%0.80578%0.779SS**PPolyproline II helixtrans-86.1138.1152.433.1-29.4000110.5
303Q45.3Very low39.1Very low172 Ų172134.2 Ų134.280%0.80479%0.787SS**PPolyproline II helixtrans-87.3173.7171.4-63.4179.22.700111.3
304N35.2Very low39.5Very low160 Ų160135.7 Ų135.786%0.85680%0.795SS**  trans76.583.6170.1-60.3-51.8000118.7
305A30.2Very low39.6Very low83 Ų83140.1 Ų140.169%0.68680%0.795SS**  trans-151127.5136.500000109.9H307A305-H307 PolarHBondContact O-N 3.02Å
306P40.5Very low39.7Very low135 Ų135137 Ų13788%0.87779%0.789SS**  trans-81.2107.5-174.631.2-33.6000111.9
307H38Very low40.6Very low172 Ų172137.4 Ų137.480%0.79679%0.792SS**  trans-92.1120.8165.152-86.4000109.6A305 A309A305-H307 PolarHBondContact O-N 3.02Å; H307-A309 PolarHBondContact O-N 3.43Å
308V41.8Very low40.7Very low125 Ų125140.3 Ų140.376%0.75879%0.793SS**  trans-74.8108.9-179.7178.20000109.5L310V308-L310 HydrophobicContact CG1-CD2 4.38Å; V308-L310 PolarHBondContact O-N 2.9Å; V308-L310 VanDerWaalsContact O-N 3.07Å
309A38.9Very low40.7Very low91 Ų91141.8 Ų141.875%0.75279%0.794SS**  trans-7297.4174.200000110.8H307 G311H307-A309 PolarHBondContact O-N 3.43Å; A309-G311 PolarHBondContact O-N 3.32Å
310L42.5Very low40.8Very low161 Ų161137.6 Ų137.684%0.84379%0.793SS**  trans-75105168.7-68.3176.5000109.5V308V308-L310 HydrophobicContact CG1-CD2 4.38Å; V308-L310 PolarHBondContact O-N 2.9Å; V308-L310 VanDerWaalsContact O-N 3.07Å
311G38.1Very low41.4Very low49 Ų49134.9 Ų134.951%0.50578%0.784SS.*  trans-63.4150.4-178.500000113.8A309 H313A309-G311 PolarHBondContact O-N 3.32Å; G311-H313 VanDerWaalsContact C-N 3.27Å; G311-H313 PolarHBondContact O-N 2.94Å
312P46.9Very low41.6Very low118 Ų118134.9 Ų134.977%0.76678%0.781SS**SBendtrans-79.861-169.334.4-38.3000113.7
313H48.4Very low41.7Very low173 Ų173135.3 Ų135.380%0.80179%0.787SS**  trans-100.721.6-177.3-69.4-62.6000115.1G311G311-H313 VanDerWaalsContact C-N 3.27Å; G311-H313 PolarHBondContact O-N 2.94Å
314L48.1Very low41.8Very low174 Ų174131.1 Ų131.191%0.91178%0.781SS**  trans-129.779.7173.1-69.1176.4000111.8
315R39.4Very low42.2Very low219 Ų219131.7 Ų131.783%0.82678%0.784SS**  trans-131.7133.1155.6-83.3-167.1173.298.1-2.4109.8
316P37.4Very low42.7Very low104 Ų104133 Ų13368%0.67579%0.787SS**  trans-72.5148.3166.332-33.5000110.2F318P316-F318 PolarHBondContact O-N 3.45Å
317P52.7Low42.8Very low125 Ų125136 Ų13681%0.81279%0.789SS**  trans-82.3106.2-179.531.8-32.9000111.4
318F41.8Very low42.6Very low178 Ų178132.3 Ų132.378%0.78178%0.779SS**  trans-134127.8164.1-82-76.7000110.9P316P316-F318 PolarHBondContact O-N 3.45Å
319L44.3Very low42.9Very low153 Ų153133.1 Ų133.180%0.80179%0.787SS**  trans45.985.1155-53.2-179.9000116.5V321L319-V321 PolarHBondContact O-N 2.99Å
320G36.1Very low43.2Very low89 Ų89132.4 Ų132.492%0.91879%0.788SS**  trans-70.688.9165.200000111.8
321V47.6Very low43.4Very low116 Ų116134.9 Ų134.970%0.70379%0.788SS**  trans-92.8133.8166.7-173.90000108.5L319 S323L319-V321 PolarHBondContact O-N 2.99Å; V321-S323 PolarHBondContact O-N 3.3Å
322P39.5Very low43.9Very low111 Ų111135.5 Ų135.572%0.72179%0.793SS**  trans-68.1115.9178.3-2032.7000112.2A324P322-A324 PolarHBondContact O-N 3.2Å
323S42.6Very low44.3Very low133 Ų133138.8 Ų138.893%0.9380%0.796SS**  trans-73.569.4173.6-63.10000112.1V321V321-S323 PolarHBondContact O-N 3.3Å
324A47.3Very low44.7Very low84 Ų84135 Ų13569%0.69478%0.781SS**  trans-111-3.5-179.100000114.3P322P322-A324 PolarHBondContact O-N 3.2Å
325L44.3Very low45.8Very low172 Ų172130.2 Ų130.290%0.90176%0.761SS**SBendtrans-125.760.3-177.7-68.7176.7000112.2
326C40.3Very low47.2Very low112 Ų112124 Ų12476%0.75775%0.748SS**  trans-157.158.7168-121.40000112.1
327Q41.9Very low48.9Very low198 Ų198122 Ų12293%0.92574%0.741SS**  trans-126.449.5167.3-73.1-162.571.400111.5
328T35.4Very low50Low94 Ų94121 Ų12158%0.57773%0.726SS**  trans-88.3116.1160.136.30000109G330T328-G330 PolarHBondContact O-N 2.95Å
329P48Very low51.7Low142 Ų142114.8 Ų114.892%0.92271%0.707SS**THydrogen-bonded Turntrans-68.7101.7176.2-17.231.6000110.1
330G45.5Very low53.5Low75 Ų75113.4 Ų113.477%0.77370%0.696SS**THydrogen-bonded Turntrans162.6-21.6176.600000117.1T328 G332T328-G330 PolarHBondContact O-N 2.95Å; G330-G332 PolarHBondContact O-N 3.5Å
331Y45.8Very low55.6Low214 Ų214115.1 Ų115.184%0.83968%0.682SS**  trans-75.894.2-179.7-91.8-82.8000112.5
332G49.2Very low57.4Low61 Ų61115 Ų11563%0.62967%0.672SS**  trans-62.5136.2167.700000111.5G330 L334G330-G332 PolarHBondContact O-N 3.5Å; G332-L334 PolarHBondContact O-N 3.02Å; G332-L334 VanDerWaalsContact O-N 3.17Å
333F55.8Low59.8Low188 Ų188112.5 Ų112.583%0.82566%0.661SS**  trans-66.6111.3176.5-171.4-87.9000109.7
334L55.5Low62.1Low93 Ų93114.8 Ų114.849%0.48765%0.649SS.*  trans-59127.7175.8-76.8172.6000109.7G332 Q338G332-L334 PolarHBondContact O-N 3.02Å; G332-L334 VanDerWaalsContact O-N 3.17Å; L334-Q338 HydrophobicContact CD2-CG 4.26Å
335P72.4Confident64.3Low74 Ų74117 Ų11748%0.48165%0.645SS.*  trans-54.7143.6174.9-26.735.3000111.2A337 Q338 A339P335-A337 VanDerWaalsContact C-N 3.3Å; P335-A337 PolarHBondContact O-N 3.21Å; P335-A337 VanDerWaalsContact O-N 3.1Å; P335-Q338 WeakPolarHBondContact O-CA 3.38Å; P335-Q338 WeakPolarHBondContact O-CB 3.45Å; P335-Q338 PolarHBondContact O-N 2.9Å; P335-A339 PolarHBondContact O-N 3.28Å
336P66.8Low66.5Low87 Ų87113.2 Ų113.257%0.56562%0.623SS**Hα-helixtrans-50.9-42.7-171.1-3236.5000115Q338 A339 E340P336-Q338 PolarHBondContact O-N 3.43Å; P336-A339 PolarHBondContact O-N 3.42Å; P336-E340 WeakPolarHBondContact O-CG 3.28Å; P336-E340 PolarHBondContact O-N 3.16Å
337A74.6Confident68.9Low64 Ų64110.5 Ų110.553%0.52960%0.599SS.*Hα-helixtrans-61.1-30177.100000113.8P335 M341P335-A337 VanDerWaalsContact C-N 3.3Å; P335-A337 PolarHBondContact O-N 3.21Å; P335-A337 VanDerWaalsContact O-N 3.1Å; A337-M341 WeakPolarHBondContact O-CG 3.4Å; A337-M341 PolarHBondContact O-N 3.09Å; A337-M341 VanDerWaalsContact O-N 3.12Å
338Q75.2Confident71.5Confident104 Ų104106.8 Ų106.849%0.48659%0.585SS.*Hα-helixtrans-80.9-35.1178.3-157169.620.300111.5L334 P335 P336 M341 F342L334-Q338 HydrophobicContact CD2-CG 4.26Å; P335-Q338 WeakPolarHBondContact O-CA 3.38Å; P335-Q338 WeakPolarHBondContact O-CB 3.45Å; P335-Q338 PolarHBondContact O-N 2.9Å; P336-Q338 PolarHBondContact O-N 3.43Å; Q338-M341 HydrophobicContact CG-CE 4.45Å; Q338-M341 PolarHBondContact O-N 3.3Å; Q338-F342 PolarHBondContact O-N 2.92Å; Q338-F342 VanDerWaalsContact O-N 3.1Å
339A78.6Confident74.2Confident46 Ų46106.2 Ų106.238%0.3858%0.578SS.*Hα-helixtrans-65.5-39.6169.200000111.9P335 P336 F342 A343P335-A339 PolarHBondContact O-N 3.28Å; P336-A339 PolarHBondContact O-N 3.42Å; A339-F342 PolarHBondContact O-N 3.03Å; A339-A343 WeakPolarHBondContact O-CB 3.3Å; A339-A343 PolarHBondContact O-N 3.47Å
340E82Confident76.2Confident124 Ų124105.8 Ų105.858%0.57956%0.558SS**Hα-helixtrans-62.1-44.9173.8-76.6174.9-152.900112.1P336 F342 A343 W344P336-E340 WeakPolarHBondContact O-CG 3.28Å; P336-E340 PolarHBondContact O-N 3.16Å; E340-F342 PolarHBondContact O-N 3.37Å; E340-A343 PolarHBondContact O-N 3.21Å; E340-W344 VanDerWaalsContact O-CD1 3.31Å; E340-W344 PolarHBondContact O-N 3.14Å
341M80.4Confident78.3Confident126 Ų126107 Ų10762%0.62154%0.542SS*.Hα-helixtrans-61.7-41175.2-75.1-173.6-67.600112.3A337 Q338 W344 Q345A337-M341 WeakPolarHBondContact O-CG 3.4Å; A337-M341 PolarHBondContact O-N 3.09Å; A337-M341 VanDerWaalsContact O-N 3.12Å; Q338-M341 HydrophobicContact CG-CE 4.45Å; Q338-M341 PolarHBondContact O-N 3.3Å; M341-W344 PolarHBondContact O-N 3.46Å; M341-Q345 WeakPolarHBondContact O-CB 3.27Å; M341-Q345 PolarHBondContact O-N 3.41Å
342F85.2Confident80.4Confident113 Ų113102.6 Ų102.650%0.49653%0.529SS..Hα-helixtrans-66.1-40.5175.3-173.8-101000112.2Q338 A339 E340 W344 Q345 Q346Q338-F342 PolarHBondContact O-N 2.92Å; Q338-F342 VanDerWaalsContact O-N 3.1Å; A339-F342 PolarHBondContact O-N 3.03Å; E340-F342 PolarHBondContact O-N 3.37Å; F342-W344 VanDerWaalsContact C-N 3.35Å; F342-W344 PolarHBondContact O-N 3.4Å; F342-Q345 WeakPolarHBondContact O-CB 3.4Å; F342-Q345 PolarHBondContact O-N 3.45Å; F342-Q346 HydrophobicContact CD1-CG 4.15Å; F342-Q346 HydrophobicContact CE1-CG 3.81Å; F342-Q346 HydrophobicContact CZ-CG 4.13Å; F342-Q346 VanDerWaalsContact CZ-NE2 3.26Å; F342-Q346 WeakPolarHBondContact O-CG 3.39Å; F342-Q346 PolarHBondContact O-N 2.83Å
343A88.9Confident82Confident58 Ų58102.7 Ų102.748%0.47952%0.515SS..Hα-helixtrans-62.9-40174.500000112.2A339 E340 Q346 E347A339-A343 WeakPolarHBondContact O-CB 3.3Å; A339-A343 PolarHBondContact O-N 3.47Å; E340-A343 PolarHBondContact O-N 3.21Å; A343-Q346 PolarHBondContact O-N 2.59Å; A343-E347 WeakPolarHBondContact O-CB 3.33Å; A343-E347 PolarHBondContact O-N 2.84Å
344W91.3Very high83.3Confident181 Ų18197.3 Ų97.369%0.68649%0.494SS*.Hα-helixtrans-63.2-40172-90.9105.5000112.8E340 M341 F342 E347 L348E340-W344 VanDerWaalsContact O-CD1 3.31Å; E340-W344 PolarHBondContact O-N 3.14Å; M341-W344 PolarHBondContact O-N 3.46Å; F342-W344 VanDerWaalsContact C-N 3.35Å; F342-W344 PolarHBondContact O-N 3.4Å; W344-E347 PolarHBondContact O-N 3.09Å; W344-L348 VanDerWaalsContact O-CB 3.32Å; W344-L348 WeakPolarHBondContact O-CB 3.47Å; W344-L348 PolarHBondContact O-N 2.77Å
345Q92.3Very high84.1Confident131 Ų13195.4 Ų95.461%0.61249%0.492SS*.Hα-helixtrans-64.7-42.1175.9-175.1176.8-14.800111.7M341 F342 L348 L349M341-Q345 WeakPolarHBondContact O-CB 3.27Å; M341-Q345 PolarHBondContact O-N 3.41Å; F342-Q345 WeakPolarHBondContact O-CB 3.4Å; F342-Q345 PolarHBondContact O-N 3.45Å; Q345-L348 PolarHBondContact O-N 3.02Å; Q345-L349 WeakPolarHBondContact O-CB 3.49Å; Q345-L349 PolarHBondContact O-N 2.82Å
346Q90.9Very high84.1Confident92 Ų92100.4 Ų100.443%0.4350%0.501SS..Hα-helixtrans-64.2-44174.1-69.4-63.7-27.100112F342 A343 L348 L349 R350F342-Q346 HydrophobicContact CD1-CG 4.15Å; F342-Q346 HydrophobicContact CE1-CG 3.81Å; F342-Q346 HydrophobicContact CZ-CG 4.13Å; F342-Q346 VanDerWaalsContact CZ-NE2 3.26Å; F342-Q346 WeakPolarHBondContact O-CG 3.39Å; F342-Q346 PolarHBondContact O-N 2.83Å; A343-Q346 PolarHBondContact O-N 2.59Å; Q346-L348 VanDerWaalsContact C-N 3.35Å; Q346-L348 PolarHBondContact O-N 3.14Å; Q346-L349 PolarHBondContact O-N 3.37Å; Q346-R350 WeakPolarHBondContact O-CB 3.48Å; Q346-R350 PolarHBondContact O-N 3.45Å
347E91.8Very high84.3Confident56 Ų56102 Ų10226%0.26251%0.505SS..Hα-helixtrans-67.4-33.5177.4174.758.1-168.800112.6A343 W344 R350 K351A343-E347 WeakPolarHBondContact O-CB 3.33Å; A343-E347 PolarHBondContact O-N 2.84Å; W344-E347 PolarHBondContact O-N 3.09Å; E347-R350 VanDerWaalsContact CD-NH2 3.31Å; E347-R350 IonicContact OE1-CZ 3.55Å; E347-R350 IonicContact OE1-NE 2.65Å; E347-R350 IonicContact OE1-NH2 3.82Å; E347-R350 PolarHBondContact OE1-NH2 2.66Å; E347-R350 IonicContact OE2-CZ 2.99Å; E347-R350 VanDerWaalsContact OE2-CZ 3.29Å; E347-R350 IonicContact OE2-NE 2.73Å; E347-R350 PolarHBondContact OE2-NE 3.48Å; E347-R350 IonicContact OE2-NH2 3.93Å; E347-R350 PolarHBondContact OE2-NH2 2.87Å; E347-K351 HydrophobicContact CG-CD 4.44Å; E347-K351 WeakPolarHBondContact O-CB 3.34Å; E347-K351 WeakPolarHBondContact O-CG 3.46Å; E347-K351 PolarHBondContact O-N 3.38Å; E347-K351 WeakPolarHBondContact OE1-CE 3.49Å; E347-K351 IonicContact OE1-NZ 3.48Å; E347-K351 PolarHBondContact OE1-NZ 2.85Å
348L95.1Very high84Confident119 Ų119103.8 Ų103.862%0.62350%0.502SS*.Hα-helixtrans-68.5-43.2173.4-175.762.7000111.5W344 Q345 Q346 R350 K351 Q352W344-L348 VanDerWaalsContact O-CB 3.32Å; W344-L348 WeakPolarHBondContact O-CB 3.47Å; W344-L348 PolarHBondContact O-N 2.77Å; Q345-L348 PolarHBondContact O-N 3.02Å; Q346-L348 VanDerWaalsContact C-N 3.35Å; Q346-L348 PolarHBondContact O-N 3.14Å; L348-R350 VanDerWaalsContact C-N 3.35Å; L348-K351 PolarHBondContact O-N 3.37Å; L348-Q352 PolarHBondContact O-N 3.38Å
349L93.2Very high83.6Confident83 Ų83105 Ų10544%0.43551%0.511SS..Hα-helixtrans-64.7-38.7174.7-176.961.8000111.7Q345 Q346 Q352 N353Q345-L349 WeakPolarHBondContact O-CB 3.49Å; Q345-L349 PolarHBondContact O-N 2.82Å; Q346-L349 PolarHBondContact O-N 3.37Å; L349-Q352 PolarHBondContact O-N 3.31Å; L349-N353 PolarHBondContact O-N 3.34Å; L349-N353 PolarHBondContact O-ND2 3.46Å
350R90.6Very high83Confident132 Ų132105.9 Ų105.950%0.49851%0.513SS..Hα-helixtrans-62.3-43.3173.6-166.1-171.668.377.85111.4Q346 E347 L348 N353 L354Q346-R350 WeakPolarHBondContact O-CB 3.48Å; Q346-R350 PolarHBondContact O-N 3.45Å; E347-R350 VanDerWaalsContact CD-NH2 3.31Å; E347-R350 IonicContact OE1-CZ 3.55Å; E347-R350 IonicContact OE1-NE 2.65Å; E347-R350 IonicContact OE1-NH2 3.82Å; E347-R350 PolarHBondContact OE1-NH2 2.66Å; E347-R350 IonicContact OE2-CZ 2.99Å; E347-R350 VanDerWaalsContact OE2-CZ 3.29Å; E347-R350 IonicContact OE2-NE 2.73Å; E347-R350 PolarHBondContact OE2-NE 3.48Å; E347-R350 IonicContact OE2-NH2 3.93Å; E347-R350 PolarHBondContact OE2-NH2 2.87Å; L348-R350 VanDerWaalsContact C-N 3.35Å; R350-N353 PolarHBondContact O-N 2.93Å; R350-L354 WeakPolarHBondContact O-CB 3.36Å; R350-L354 PolarHBondContact O-N 3.08Å
351K89.8Confident82.3Confident100 Ų100102.4 Ų102.444%0.43551%0.506SS..Hα-helixtrans-65.3-41.5175.1-80.5169.8165.2125.80113E347 L348 N353 L354 A355E347-K351 HydrophobicContact CG-CD 4.44Å; E347-K351 WeakPolarHBondContact O-CB 3.34Å; E347-K351 WeakPolarHBondContact O-CG 3.46Å; E347-K351 PolarHBondContact O-N 3.38Å; E347-K351 WeakPolarHBondContact OE1-CE 3.49Å; E347-K351 IonicContact OE1-NZ 3.48Å; E347-K351 PolarHBondContact OE1-NZ 2.85Å; L348-K351 PolarHBondContact O-N 3.37Å; K351-N353 VanDerWaalsContact C-N 3.34Å; K351-N353 PolarHBondContact O-N 2.73Å; K351-L354 PolarHBondContact O-N 3Å; K351-A355 PolarHBondContact O-N 3.41Å
352Q88.3Confident81.7Confident122 Ų122101.2 Ų101.257%0.5750%0.502SS*.Hα-helixtrans-61.9-43175.7-173.9-175.56800111.4L348 L349 R356L348-Q352 PolarHBondContact O-N 3.38Å; L349-Q352 PolarHBondContact O-N 3.31Å; Q352-R356 WeakPolarHBondContact O-CG 3.45Å; Q352-R356 PolarHBondContact O-N 2.85Å
353N83.1Confident81.1Confident64 Ų64101.4 Ų101.434%0.34251%0.507SS..Hα-helixtrans-70.1-34.8176.3-73.6-59.9000112.7L349 R350 K351 R356 L357L349-N353 PolarHBondContact O-N 3.34Å; L349-N353 PolarHBondContact O-ND2 3.46Å; R350-N353 PolarHBondContact O-N 2.93Å; K351-N353 VanDerWaalsContact C-N 3.34Å; K351-N353 PolarHBondContact O-N 2.73Å; N353-R356 PolarHBondContact O-N 3.14Å; N353-L357 WeakPolarHBondContact O-CG 3.36Å; N353-L357 PolarHBondContact O-N 2.65Å
354L83.1Confident80.2Confident74 Ų74104 Ų10439%0.38751%0.512SS..Hα-helixtrans-62.4-47.9173.4-176.263.2000111.6R350 K351 R356 L357 E358R350-L354 WeakPolarHBondContact O-CB 3.36Å; R350-L354 PolarHBondContact O-N 3.08Å; K351-L354 PolarHBondContact O-N 3Å; L354-R356 PolarHBondContact O-N 3.28Å; L354-L357 CarbonylContact O-C 3.54Å; L354-L357 WeakPolarHBondContact O-CA 3.41Å; L354-L357 WeakPolarHBondContact O-CB 3.49Å; L354-L357 PolarHBondContact O-N 3.43Å; L354-E358 HydrophobicContact CD1-CG 4.43Å; L354-E358 HydrophobicContact CG-CG 4.3Å; L354-E358 WeakPolarHBondContact O-CG 3.28Å; L354-E358 PolarHBondContact O-N 2.76Å
355A73.3Confident79.4Confident53 Ų53103.6 Ų103.644%0.43851%0.511SS..Hα-helixtrans-61.2-29.3177.400000113.2K351 L357 L359K351-A355 PolarHBondContact O-N 3.41Å; A355-L357 VanDerWaalsContact C-N 3.28Å; A355-L357 PolarHBondContact O-N 3.1Å; A355-L359 PolarHBondContact O-N 2.8Å
356R71Confident78.6Confident179 Ų179103.2 Ų103.268%0.67551%0.509SS*.Hα-helixtrans-73.5-15.6172.2-70.617872.2-147.23.1113.9Q352 N353 L354 P360Q352-R356 WeakPolarHBondContact O-CG 3.45Å; Q352-R356 PolarHBondContact O-N 2.85Å; N353-R356 PolarHBondContact O-N 3.14Å; L354-R356 PolarHBondContact O-N 3.28Å; R356-P360 WeakPolarHBondContact O-CD 3.5Å; R356-P360 WeakPolarHBondContact O-CG 3.5Å
357L72.1Confident77.9Confident122 Ų122105.8 Ų105.864%0.63952%0.519SS*.Hα-helixtrans-103.1-23.4177.3-66.3170.4000112.7N353 L354 A355 P360 A361N353-L357 WeakPolarHBondContact O-CG 3.36Å; N353-L357 PolarHBondContact O-N 2.65Å; L354-L357 CarbonylContact O-C 3.54Å; L354-L357 WeakPolarHBondContact O-CA 3.41Å; L354-L357 WeakPolarHBondContact O-CB 3.49Å; L354-L357 PolarHBondContact O-N 3.43Å; A355-L357 VanDerWaalsContact C-N 3.28Å; A355-L357 PolarHBondContact O-N 3.1Å; L357-P360 WeakPolarHBondContact O-CD 3.47Å; L357-A361 WeakPolarHBondContact O-CB 3.38Å; L357-A361 PolarHBondContact O-N 2.87Å
358E68.8Low77Confident100 Ų100109.2 Ų109.247%0.46754%0.535SS..Hα-helixtrans-68.3-44.7171.7-72.1168.3160.700111.3L354 A361 D362L354-E358 HydrophobicContact CD1-CG 4.43Å; L354-E358 HydrophobicContact CG-CG 4.3Å; L354-E358 WeakPolarHBondContact O-CG 3.28Å; L354-E358 PolarHBondContact O-N 2.76Å; E358-A361 WeakPolarHBondContact O-CB 3.43Å; E358-A361 PolarHBondContact O-N 3.27Å; E358-D362 PolarHBondContact O-N 3.18Å
359L66.3Low75.8Confident129 Ų129109.6 Ų109.668%0.67554%0.537SS*.Hα-helixtrans-59-43.5-178.6-159.882.9000113.8A355 L363A355-L359 PolarHBondContact O-N 2.8Å; L359-L363 WeakPolarHBondContact O-CB 3.35Å; L359-L363 PolarHBondContact O-N 3Å
360P66.8Low74.5Confident66 Ų66111.3 Ų111.343%0.42954%0.543SS..Hα-helixtrans-66.7-33.2171.6-22.334.9000113.9R356 L357 L363 L364R356-P360 WeakPolarHBondContact O-CD 3.5Å; R356-P360 WeakPolarHBondContact O-CG 3.5Å; L357-P360 WeakPolarHBondContact O-CD 3.47Å; P360-L363 PolarHBondContact O-N 2.83Å; P360-L364 WeakPolarHBondContact O-CB 3.08Å; P360-L364 WeakPolarHBondContact O-CG 3.43Å; P360-L364 PolarHBondContact O-N 3.16Å
361A66.1Low72.9Confident51 Ų51109.7 Ų109.742%0.42155%0.551SS.*Hα-helixtrans-69.9-42.4-179.200000111.9L357 E358 L363 L364 R365L357-A361 WeakPolarHBondContact O-CB 3.38Å; L357-A361 PolarHBondContact O-N 2.87Å; E358-A361 WeakPolarHBondContact O-CB 3.43Å; E358-A361 PolarHBondContact O-N 3.27Å; A361-L363 VanDerWaalsContact C-N 3.34Å; A361-L364 PolarHBondContact O-N 3.2Å; A361-R365 PolarHBondContact O-N 3.04Å
362D68.9Low71.3Confident101 Ų101108.5 Ų108.554%0.5456%0.56SS.*Hα-helixtrans-65.7-36.9173.2-80-31.4000111.8E358 R365 Q366E358-D362 PolarHBondContact O-N 3.18Å; D362-R365 PolarHBondContact O-N 3.04Å; D362-Q366 WeakPolarHBondContact O-CB 3.21Å; D362-Q366 PolarHBondContact O-N 3.3Å
363L71.4Confident69.5Low116 Ų116111.4 Ų111.461%0.60757%0.566SS**Hα-helixtrans-68.5-36.2177.3-152.5157.5000111.7L359 P360 A361 K367L359-L363 WeakPolarHBondContact O-CB 3.35Å; L359-L363 PolarHBondContact O-N 3Å; P360-L363 PolarHBondContact O-N 2.83Å; A361-L363 VanDerWaalsContact C-N 3.34Å; L363-K367 WeakPolarHBondContact O-CB 3.27Å; L363-K367 PolarHBondContact O-N 3.33Å
364L70.4Confident67.8Low112 Ų112114.1 Ų114.159%0.58659%0.587SS**Hα-helixtrans-64-48.2168.7-75.7167.9000111.7P360 A361 Q366 K367 E368P360-L364 WeakPolarHBondContact O-CB 3.08Å; P360-L364 WeakPolarHBondContact O-CG 3.43Å; P360-L364 PolarHBondContact O-N 3.16Å; A361-L364 PolarHBondContact O-N 3.2Å; L364-Q366 VanDerWaalsContact C-N 3.3Å; L364-Q366 PolarHBondContact O-N 3.19Å; L364-K367 WeakPolarHBondContact O-CB 3.44Å; L364-K367 PolarHBondContact O-N 3.5Å; L364-K367 VanDerWaalsContact O-N 3.13Å; L364-E368 PolarHBondContact O-N 2.98Å
365R74.9Confident66.1Low173 Ų173120 Ų12065%0.65361%0.612SS**Hα-helixtrans-60.1-37.6176.1-104.2-166.269.3-173.8-0.2113.1A361 D362 L369A361-R365 PolarHBondContact O-N 3.04Å; D362-R365 PolarHBondContact O-N 3.04Å; R365-L369 WeakPolarHBondContact O-CB 3.45Å; R365-L369 PolarHBondContact O-N 3.03Å
366Q74.6Confident64.7Low123 Ų123125.4 Ų125.458%0.57563%0.633SS**Hα-helixtrans-68-41.4175.5-174.9177.6-44.500110.9D362 L364 L369 E370D362-Q366 WeakPolarHBondContact O-CB 3.21Å; D362-Q366 PolarHBondContact O-N 3.3Å; L364-Q366 VanDerWaalsContact C-N 3.3Å; L364-Q366 PolarHBondContact O-N 3.19Å; Q366-L369 WeakPolarHBondContact O-CB 3.48Å; Q366-L369 PolarHBondContact O-N 3.17Å; Q366-E370 PolarHBondContact O-N 3.2Å
367K76.9Confident63.1Low146 Ų146125 Ų12564%0.63564%0.643SS**Hα-helixtrans-63.9-39.3175.3-175.2177178.1-178.70112.4L363 L364 E370 S371L363-K367 WeakPolarHBondContact O-CB 3.27Å; L363-K367 PolarHBondContact O-N 3.33Å; L364-K367 WeakPolarHBondContact O-CB 3.44Å; L364-K367 PolarHBondContact O-N 3.5Å; L364-K367 VanDerWaalsContact O-N 3.13Å; K367-E370 PolarHBondContact O-N 3.11Å; K367-S371 WeakPolarHBondContact O-CB 3.38Å; K367-S371 PolarHBondContact O-N 3.09Å; K367-S371 PolarHBondContact O-OG 2.82Å
368E73.3Confident61.1Low129 Ų129123 Ų12360%0.60365%0.645SS**Hα-helixtrans-60.7-47.2170.8-73.1-176144.300110.9L364 E370 S371 A372L364-E368 PolarHBondContact O-N 2.98Å; E368-E370 VanDerWaalsContact C-N 3.33Å; E368-E370 PolarHBondContact O-N 2.63Å; E368-S371 WeakPolarHBondContact CA-OG 3.48Å; E368-S371 PolarHBondContact O-N 3.17Å; E368-S371 VanDerWaalsContact O-N 3.15Å; E368-S371 PolarHBondContact O-OG 3.1Å; E368-A372 WeakPolarHBondContact O-CB 2.98Å; E368-A372 PolarHBondContact O-N 2.9Å
369L69.1Low59.8Low127 Ų127124 Ų12467%0.66566%0.66SS**Hα-helixtrans-62.5-36.2178.9-158.180.3000113R365 Q366R365-L369 WeakPolarHBondContact O-CB 3.45Å; R365-L369 PolarHBondContact O-N 3.03Å; Q366-L369 WeakPolarHBondContact O-CB 3.48Å; Q366-L369 PolarHBondContact O-N 3.17Å
370E65.3Low58.2Low119 Ų119126.9 Ų126.956%0.55667%0.67SS**Hα-helixtrans-71.1-40.5171.8-81.4-171.4107.700112.3Q366 K367 E368 A372 R373Q366-E370 PolarHBondContact O-N 3.2Å; K367-E370 PolarHBondContact O-N 3.11Å; E368-E370 VanDerWaalsContact C-N 3.33Å; E368-E370 PolarHBondContact O-N 2.63Å; E370-A372 PolarHBondContact O-N 3.36Å; E370-R373 WeakPolarHBondContact O-CB 3.04Å; E370-R373 PolarHBondContact O-N 2.85Å; E370-R373 VanDerWaalsContact O-N 3.11Å
371S58Low56.4Low97 Ų97129.8 Ų129.868%0.67869%0.687SS**Hα-helixtrans-64.3-25.2175.575.80000113.2K367 E368 R373K367-S371 WeakPolarHBondContact O-CB 3.38Å; K367-S371 PolarHBondContact O-N 3.09Å; K367-S371 PolarHBondContact O-OG 2.82Å; E368-S371 WeakPolarHBondContact CA-OG 3.48Å; E368-S371 PolarHBondContact O-N 3.17Å; E368-S371 VanDerWaalsContact O-N 3.15Å; E368-S371 PolarHBondContact O-OG 3.1Å; S371-R373 VanDerWaalsContact C-N 3.32Å
372A55Low54.8Low75 Ų75131.3 Ų131.362%0.6270%0.699SS**THydrogen-bonded Turntrans-82-1.617600000114E368 E370 P374E368-A372 WeakPolarHBondContact O-CB 2.98Å; E368-A372 PolarHBondContact O-N 2.9Å; E370-A372 PolarHBondContact O-N 3.36Å; A372-P374 WeakPolarHBondContact O-CD 3.31Å
373R50.8Low53.1Low183 Ų183134.6 Ų134.669%0.69172%0.716SS**SBendtrans-81.1120.8172-69.2-179.866.6175.9-0.4110.2E370 S371 Q375E370-R373 WeakPolarHBondContact O-CB 3.04Å; E370-R373 PolarHBondContact O-N 2.85Å; E370-R373 VanDerWaalsContact O-N 3.11Å; S371-R373 VanDerWaalsContact C-N 3.32Å; R373-Q375 PolarHBondContact O-N 3.24Å
374P47.8Very low51.4Low121 Ų121140 Ų14079%0.78673%0.728SS**  trans-59.8134.2173.6-23.734.8000111.7A372 L376A372-P374 WeakPolarHBondContact O-CD 3.31Å; P374-L376 VanDerWaalsContact C-N 3.31Å; P374-L376 PolarHBondContact O-N 3.42Å
375Q46.8Very low50.1Low197 Ų197139.7 Ų139.792%0.92173%0.733SS**  trans-75.278.9178.8-65.6-179.49.900111.2R373 L377R373-Q375 PolarHBondContact O-N 3.24Å; Q375-L377 VanDerWaalsContact C-N 3.32Å; Q375-L377 PolarHBondContact O-N 2.96Å; Q375-L377 VanDerWaalsContact O-N 3.08Å
376L44.7Very low48.1Very low168 Ų168137.9 Ų137.988%0.8874%0.736SS**  trans-77.482.7165.6-98.2173.1000110.3P374P374-L376 VanDerWaalsContact C-N 3.31Å; P374-L376 PolarHBondContact O-N 3.42Å
377L36.5Very low46Very low169 Ų169138.8 Ų138.889%0.88575%0.745SS**  trans-167.494.9156.9-108.6163.9000110.5Q375Q375-L377 VanDerWaalsContact C-N 3.32Å; Q375-L377 PolarHBondContact O-N 2.96Å; Q375-L377 VanDerWaalsContact O-N 3.08Å
378A30.9Very low43.8Very low82 Ų82135 Ų13568%0.67875%0.747SS**  trans-96.1143.5165.300000109.8E380A378-E380 PolarHBondContact O-N 3.16Å
379P42Very low41.8Very low119 Ų119132.8 Ų132.877%0.77375%0.751SS**  trans-87.990.2-175.834-34.4000112.8
380E31.5Very low40.2Very low190 Ų190135.9 Ų135.989%0.88876%0.762SS**  trans-77.7127.6170.4-78.5-73.195.600111.2A378A378-E380 PolarHBondContact O-N 3.16Å
381T30.1Very low38.8Very low128 Ų128138.4 Ų138.479%0.78577%0.774SS**  trans-118121.3-173-49.50000112.9
382A31.7Very low37.9Very low82 Ų82139.9 Ų139.968%0.67877%0.774SS**  trans63.3104.7159.800000120
383L32.3Very low36.8Very low170 Ų170142.6 Ų142.689%0.8977%0.773SS**  -136.3168.1118.8-76-173.3000110
384R35.9Very low36.3Very low231 Ų231143.8 Ų143.887%0.87278%0.778SS**  trans-139.5177-171.4-70-89.787.3167.34108.8
385P43.8Very low36Very low104 Ų104148.2 Ų148.268%0.67578%0.779SS**  cis-134.3-173.52.439.7-20.5000115.9
386N32.2Very low35.2Very low135 Ų135142.8 Ų142.872%0.72278%0.776SS**  trans65.5156.6161.4-76.535.3000119.2
387D31.5Very low34.8Very low142 Ų142139.7 Ų139.776%0.75978%0.775SS**  cis-146.9154.33.2-135.3-42.4000114
388G29.5Very low35Very low67 Ų67139.5 Ų139.569%0.69177%0.773SS**  trans54.7175.7169.600000120.1
389A32.7Very low35.5Very low83 Ų83144 Ų14469%0.68679%0.785SS**  cis-175.3132.6-36.700000108.5
390E35.6Very low35.2Very low191 Ų191143.9 Ų143.989%0.89378%0.782SS**  trans59.5149.7164.9-59.2169.8129.400116.2
391E34.8Very low35.4Very low172 Ų172140.8 Ų140.880%0.80477%0.771SS**  cis-148.9162.225165.354.8174.100111.1
392L39.3Very low35.4Very low129 Ų129142.3 Ų142.368%0.67577%0.774SS**  trans-92.7165.7-175.3-152.877.4000114
393Q32.2Very low35.7Very low131 Ų131146.2 Ų146.261%0.61278%0.778SS**  trans72.5110.8141.3-159.183.9-93.700119.7
394R39.8Very low35.7Very low209 Ų209141.7 Ų141.779%0.78977%0.773SS**  -179.7119.6114.5-95152.9-143.9-100.70.8115
395R41.9Very low35.5Very low214 Ų214135.7 Ų135.781%0.80877%0.772SS**  trans32.2111.6131-53.2173.9-176.4-178.6-1.7116.1
396G31.2Very low35Very low82 Ų82135 Ų13585%0.84578%0.776SS**  106.7160.173.300000109.6
397A35.6Very low35.4Very low104 Ų104134.9 Ų134.986%0.8678%0.782SS**  cis-145.4170.4100000110.4
398L41.2Very low35.4Very low164 Ų164135.6 Ų135.686%0.85979%0.785SS**  trans-82.3126.5179.5-158.789.9000110.9
399L41.3Very low35.4Very low178 Ų178140.5 Ų140.593%0.93279%0.794SS**  trans-141147.3160.3-86.2-174.1000112.7
400V34.8Very low35.1Very low115 Ų115141.3 Ų141.370%0.69780%0.801SS**  trans-94154.5-163.1159.30000112.4
401L35.8Very low34.7Very low126 Ų126140.4 Ų140.466%0.6680%0.801SS**  trans-1.6140.2160.8-75.5139.2000118.5
402N30.6Very low35Very low159 Ų159137.2 Ų137.285%0.8580%0.796SS**  -154.5163.1119.9-118-74.3000113.8
403H38.3Very low34.7Very low165 Ų165137.2 Ų137.276%0.76480%0.803SS**  trans-109.3152.9177.9-57.2-91.6000110.8
404G31.6Very low34.7Very low75 Ų75139.6 Ų139.677%0.77382%0.815SS**  trans136.9148149.500000117.7
405A31Very low34.1Very low104 Ų104132.8 Ų132.886%0.8681%0.809SS**  trans60.9127.2161.500000119.9
406A33.5Very low34.1Very low91 Ų91128.2 Ų128.275%0.75281%0.808SS**  trans-86.2161.3152.900000110
407P41.6Very low34.9Very low131 Ų131130 Ų13085%0.85181%0.805SS**  -133.7-17411837.3-27.7000113.5
408L31.8Very low34.5Very low157 Ų157128.6 Ų128.682%0.82280%0.8SS**  trans-104.6174.9-166.6-66.1169.9000113.9
409L28.7Very low34.2Very low170 Ų170127.2 Ų127.289%0.8980%0.804SS**  trans92109.3155.6-51.1-179.6000118.8
410A26.1Very low33.7Very low101 Ų101122 Ų12284%0.83579%0.794SS**  trans-158.7133137.600000112.2
411L27.1Very low34.8Very low171 Ų171122.5 Ų122.590%0.89580%0.799SS**  trans-144162.3163.1-83.2174000105.8
412P41.4Very low35.5Very low105 Ų105122.3 Ų122.368%0.68281%0.805SS**  cis-120.4-154.8-10.233.7-12.3000110.6
413P33.4Very low35.8Very low129 Ų129121 Ų12184%0.83880%0.803SS**  -136.5178.187.136.7-22.3000114.8
414Q31.6Very low36.1Very low181 Ų181118.5 Ų118.585%0.84680%0.802SS**  trans-117.4154.9-172.6-83.9-84.417.500112.6
415G27Very low35.9Very low66 Ų66120.1 Ų120.168%0.6880%0.801SS**  trans-171.3111.5175.800000114
416P42.3Very low35.9Very low119 Ų119125.5 Ų125.577%0.77380%0.799SS**  trans-111-164.8-176.445.8-37.6000111.6
417P47.9Very low35.8Very low120 Ų120126.7 Ų126.778%0.77979%0.793SS**  cis-138.5163.4-1.241.5-23.7000118.3
418G27.8Very low35.4Very low74 Ų74125.7 Ų125.776%0.76379%0.789SS**  85.2115.7120.400000122.6
419S34.8Very low35.3Very low134 Ų134122.1 Ų122.194%0.93778%0.782SS**  -169.6160.6127.539.20000110.6
420G30.2Very low35.5Very low70 Ų70124.4 Ų124.472%0.72278%0.779SS**  trans-140.7179-166.600000115.8
421P57.9Low35.8Very low125 Ų125130.9 Ų130.981%0.81278%0.781SS**  trans-92.9-173-164.740.3-39.2000113.7
422P51.8Low36Very low122 Ų122126.9 Ų126.979%0.79277%0.773SS**  -149.2171.896.240.1-23.8000116.8
423T36.4Very low36.2Very low131 Ų131127.5 Ų127.580%0.80478%0.777SS**  trans-104.6160159.5570000109.9
424P43.8Very low36.1Very low112 Ų112132.4 Ų132.473%0.72778%0.779SS**  -158.8160.8107.139.5-20.6000119.3
425S27.7Very low36.1Very low109 Ų109133.8 Ų133.876%0.76278%0.782SS**  trans76.5139.7135.172.60000126.5
426R31.8Very low36.2Very low218 Ų218134.6 Ų134.682%0.82379%0.791SS**  trans86.4109.5134.3-94.3-159147.1157.8-0.6125.4
427D30.1Very low35.5Very low116 Ų116132.4 Ų132.462%0.6279%0.79SS**  73.8122.2112.1-100.7-49.8000125.5
428S33.3Very low35.5Very low109 Ų109133 Ų13376%0.76279%0.794SS**  84.9139.2125.8-820000125.3
429A31Very low35.6Very low82 Ų82132.5 Ų132.568%0.67879%0.788SS**  trans104.697.6139.600000123.4
430R32.9Very low36.3Very low218 Ų218132.2 Ų132.282%0.82378%0.783SS**  69.7115.6113-167.6-150.2-49.8-99.13.1120.8
431R32.1Very low36.2Very low237 Ų237133.4 Ų133.489%0.89479%0.786SS**  179.4158.9118.9-99.1174.4-144.4-107.67.3113.6
432A31.8Very low34.9Very low88 Ų88133.2 Ų133.273%0.72779%0.788SS**  trans-131.2159.8157.700000107.8
433P44.3Very low33.8Very low117 Ų117131.2 Ų131.276%0.7678%0.782SS**  -154.5144.2110.237.5-19.1000118.2
434R32.1Very low33.7Very low233 Ų233135.8 Ų135.888%0.87978%0.784SS**  trans47.4122.4133.1-65.3-173.4166.2-152.3-6123.2
435K32.1Very low33.8Very low209 Ų209135.8 Ų135.891%0.90978%0.784SS**  76.7114120-170.5-169.3179.7-170.10119.7
436G27.3Very low34Very low83 Ų83134.5 Ų134.586%0.85678%0.775SS**  trans170.3140.915800000114.6
437G28.5Very low34Very low73 Ų73132.2 Ų132.275%0.75377%0.774SS**  trans-148.1-171.2160.800000107.4
438P47.3Very low34.1Very low134 Ų134132.4 Ų132.487%0.8779%0.785SS**  cis-119.3-148.30.940.3-23000111.9
439G30.8Very low34.1Very low63 Ų63135.7 Ų135.765%0.64979%0.785SS**  trans-76.8-162.9167.500000113.6
440P48.6Very low34.1Very low128 Ų128138.5 Ų138.583%0.83178%0.784SS**  cis-148.3-165.327.344.8-24.2000117.5
441A29.1Very low33.9Very low95 Ų95135 Ų13579%0.78578%0.779SS**  trans66.7164.2160.500000118.2
442S29.8Very low33.7Very low120 Ų120129.6 Ų129.684%0.83977%0.772SS**  cis-156.4-173.9-0.7-148.50000108.3
443A28.6Very low33.5Very low81 Ų81128.9 Ų128.967%0.66977%0.774SS**  cis-154.8163.40.300000108.9
444R34.3Very low32.8Very low226 Ų226128.1 Ų128.185%0.85378%0.777SS**  47.515590.3-60.1-169.3164.2-127.2-4.9118.2
445P46.4Very low32.5Very low112 Ų112127.6 Ų127.673%0.72778%0.775SS**  cis-115.7-168.6-439.9-22.5000112.3
446S32.3Very low32.4Very low82 Ų82123.9 Ų123.957%0.57377%0.765SS**  cis86.7144.510.6119.50000116.7
447E31.2Very low32.7Very low170 Ų170131.1 Ų131.179%0.79477%0.766SS**  cis-165135.52-118.4157.9108.100113
448S32.3Very low33Very low121 Ų121131.5 Ų131.585%0.84676%0.763SS**  trans-167.2138.4163.149.20000111.8
449K33.8Very low32.2Very low178 Ų178134.3 Ų134.377%0.77476%0.764SS**  cis102.3109.924.7-165.7176.7-173.5163.50111.6
450E30.1Very low32.3Very low140 Ų140138.7 Ų138.765%0.65477%0.773SS**  cis120.3122.827.2174.4-148.2130.100108.7
451M29.2Very low31.4Very low146 Ų146135.8 Ų135.872%0.71977%0.766SS**  trans-173.4106.6147.6-167.855.149.100111.8
452T27.8Very low31.6Very low122 Ų122136.2 Ų136.275%0.74876%0.763SS**  37.8140.3126.5-49.30000120.8
453G28.5Very low32.1Very low74 Ų74139.1 Ų139.176%0.76376%0.764SS**  cis175.9-173.32.800000108.2
454A28.2Very low32.4Very low100 Ų100143.3 Ų143.383%0.82678%0.775SS**  cis-153160.9-6.400000107.1
455R26.7Very low32.5Very low222 Ų222140.5 Ų140.584%0.83877%0.771SS**  176.3125.189.3-178.5175.4-170.1174.22.3110.2
456L30.2Very low33.3Very low132 Ų132139.3 Ų139.369%0.69176%0.764SS**  trans17.8137.1134.8-54.6159.4000118.3
457W33.5Very low34.4Very low234 Ų234140.6 Ų140.689%0.88677%0.77SS**  cis-144.1-175.932.5-76.989.1000114
458A34.2Very low34.7Very low82 Ų82140.3 Ų140.368%0.67877%0.766SS**  trans-149.3176.8-179.600000113
459Q31.2Very low34.7Very low193 Ų193139.5 Ų139.590%0.90275%0.752SS**  trans79.8159.8175.3-55.6-175.612600117
460D32.2Very low35.3Very low155 Ų155137.1 Ų137.183%0.82976%0.758SS**  cis-176.1158.3-31.5-175.432.9000108.6
461G29.1Very low35.7Very low67 Ų67137.8 Ų137.869%0.69177%0.766SS**  trans66.6-177.7173.700000116.9
462S34.3Very low36.1Very low104 Ų104134 Ų13473%0.72777%0.765SS**  cis-165.4143.1-31.5-151.30000109.4
463E40.8Very low36.6Very low181 Ų181137.5 Ų137.585%0.84677%0.773SS**  trans12.8127.5155.4-57.5165.5134.700122.1
464D33.2Very low37.1Very low169 Ų169140.9 Ų140.990%0.90477%0.773SS**  -167.8178.6121.1-147.5-86000110.5
465E36.8Very low38.4Very low167 Ų167141.4 Ų141.478%0.7877%0.768SS**  trans-128.8-132.2-158.9-148.4-125.9154.300118.3
466P63.3Low38.9Very low87 Ų87139.6 Ų139.657%0.56577%0.769SS**  trans-121.5-151.5-130.951.1-37.3000113.6
467P55.7Low39Very low109 Ų109139.8 Ų139.871%0.70878%0.776SS**  cis-133.1-177-15.241.1-24.6000114.9
468K36.7Very low39Very low164 Ų164133.3 Ų133.371%0.71377%0.772SS**  -179.4131.3115.8-98.9-162.6163.8-68.40116.7
469D32.5Very low39.1Very low104 Ų104134 Ų13456%0.55678%0.778SS**  trans41.9119.1139-42.3-3.1000122.4
470S47.1Very low39Very low128 Ų128131.8 Ų131.890%0.89578%0.777SS**  trans-167.2103134.9-77.80000109.6
471D39.3Very low38.7Very low153 Ų153127.8 Ų127.882%0.81877%0.773SS**  trans-89.1164.3-170.6-53.6-83000114.8
472G37.9Very low38.8Very low68 Ų68130.4 Ų130.470%0.70178%0.779SS**  trans-91-155.8153.700000111.1
473E37.6Very low38.4Very low195 Ų195137.8 Ų137.891%0.91179%0.791SS**  cis-143.8-151-2-67.3-173.680.100108.6
474D38.8Very low37.7Very low144 Ų144132.6 Ų132.677%0.7779%0.786SS**  trans-59.8158.9171.7-154.4-73.1000112.9E476D474-E476 PolarHBondContact OD1-N 3.35Å; D474-E476 VanDerWaalsContact OD1-N 3.12Å
475P55.6Low38.1Very low112 Ų112130.8 Ų130.873%0.72778%0.784SS**  -148.8133.5122.635.1-18.5000117.7
476E36.6Very low37.9Very low183 Ų183129.1 Ų129.186%0.85579%0.785SS**  trans-79129.4150.2-172.8-165.4123.100110.9D474D474-E476 PolarHBondContact OD1-N 3.35Å; D474-E476 VanDerWaalsContact OD1-N 3.12Å
477T32.5Very low37Very low136 Ų136131.1 Ų131.183%0.83480%0.798SS**  trans-162.9167.9157.921.20000110.8
478A33.6Very low35.6Very low98 Ų98129.4 Ų129.481%0.8180%0.8SS**  trans-126.6147.8-161.600000117.5
479A35.6Very low35.2Very low97 Ų97131.1 Ų131.180%0.80281%0.811SS**  trans85.8154.3143.900000122.7
480V30.9Very low34.9Very low146 Ų146130 Ų13089%0.88582%0.816SS**  trans89.3116.3165.1-170.30000118.7
481G25.7Very low35.1Very low71 Ų71129.5 Ų129.573%0.73281%0.81SS**  trans177.7134.7166.900000111.4
482C29.6Very low34.7Very low122 Ų122127.2 Ų127.282%0.82481%0.812SS**  trans-130.1132.4-160.4-58.70000116.1
483R27.4Very low34.1Very low260 Ų260127.7 Ų127.798%0.98182%0.817SS**  trans-166.9143.1137.9-114174.3-177.9-104.70112.3
484G25.1Very low33.6Very low71 Ų71122.4 Ų122.473%0.73282%0.815SS**  trans-102.5-154.9177.500000113.5
485P42.4Very low33.2Very low132 Ų132120.8 Ų120.886%0.85782%0.822SS**  cis-129.8-175.139.640.2-24.5000117.2
486T32.2Very low31.9Very low132 Ų132119 Ų11981%0.8182%0.824SS**  trans-94.9-171.5-173.647.50000112.3
487P43.5Very low31.9Very low128 Ų128114.9 Ų114.983%0.83182%0.82SS**  cis-134.7176.54.443-25.3000117.2
488G26.6Very low31.8Very low74 Ų74116 Ų11676%0.76382%0.816SS**  trans-173.233.9-177.400000121.9
489Q29.6Very low31.6Very low199 Ų199115 Ų11593%0.9382%0.815SS**  trans67.2152.4156.9-158.5162.719.200121.2
490A25.3Very low31.6Very low80 Ų80118.5 Ų118.566%0.66181%0.813SS**  trans-152.4-174.2172.300000106.9
491P51.6Low31.4Very low119 Ų119115.3 Ų115.377%0.77381%0.809SS**  cis-139.5-167.41.344.9-26.7000115.2
492A29.7Very low31.6Very low105 Ų105120.4 Ų120.487%0.86882%0.819SS**  trans67.6157.5158.800000118
493G26.9Very low31.9Very low77 Ų77124.3 Ų124.379%0.79482%0.822SS**  cis157.7176.7-6.900000112
494G27.3Very low32.4Very low85 Ų85118.1 Ų118.188%0.87682%0.815SS**  trans104.7164.4172.600000115.5
495A30.4Very low32.6Very low110 Ų110117.9 Ų117.991%0.90981%0.813SS**  trans-148.7161.8-173.200000112.2
496G28.3Very low31.9Very low75 Ų75117.2 Ų117.277%0.77381%0.812SS**  trans117.1150142.400000119.6
497A34.8Very low31.8Very low95 Ų95117.1 Ų117.179%0.78581%0.811SS**  trans77.1109.815200000121.8
498E30.6Very low31.6Very low159 Ų159118 Ų11874%0.74381%0.808SS**  trans56.1129.4131.5-62.2-153.569.700123.3K500E498-K500 IonicContact OE1-NZ 2.6Å; E498-K500 PolarHBondContact OE1-NZ 2.72Å; E498-K500 IonicContact OE2-NZ 3.77Å
499G30.2Very low31.9Very low77 Ų77120.4 Ų120.479%0.79481%0.81SS**  trans-154.214.6177.400000118.7
500K35.9Very low32.2Very low171 Ų171117.3 Ų117.374%0.74380%0.8SS**  trans29.7111.9159.5-45.4-180-159.2-71.10119.1E498E498-K500 IonicContact OE1-NZ 2.6Å; E498-K500 PolarHBondContact OE1-NZ 2.72Å; E498-K500 IonicContact OE2-NZ 3.77Å
501G26.4Very low32.4Very low79 Ų79117.1 Ų117.181%0.81481%0.805SS**  trans-149.9155.8168.400000112.7
502L29.9Very low31.5Very low178 Ų178120 Ų12093%0.93281%0.806SS**  trans-113.9150-165.8-68.5164.9000114.3
503F36.6Very low31.9Very low205 Ų205121 Ų12190%0.89980%0.804SS**  trans-76.8160.5163.8-65.1-82.2000111.2
504P36.9Very low32.2Very low129 Ų129128.1 Ų128.184%0.83881%0.808SS**  -150.914596.137.2-19.8000117.6
505G28.4Very low32.6Very low66 Ų66128.3 Ų128.368%0.6880%0.802SS**  trans86.6126.6131.900000121.5
506S29.3Very low32.9Very low119 Ų119129.8 Ų129.883%0.83280%0.799SS**  trans66.5151.6154.1-61.20000117.9
507T30.5Very low32.9Very low130 Ų130130.7 Ų130.780%0.79879%0.794SS**  cis-150.8152.1-2.5-4.30000109.3
508L38.2Very low33.1Very low145 Ų145131.7 Ų131.776%0.75979%0.792SS**  trans-84.5151.8172.3-68.5173.2000112.2L510L508-L510 HydrophobicContact CD1-CD1 4.36Å
509P32Very low33.5Very low126 Ų126133.2 Ų133.282%0.81879%0.793SS**  trans-127.711113433.5-22.9000111.3
510L36.9Very low33.5Very low134 Ų134138.5 Ų138.570%0.70279%0.794SS**  trans-97117.1166.6-80.4167.3000109L508L508-L510 HydrophobicContact CD1-CD1 4.36Å
511G28.6Very low33.4Very low76 Ų76140 Ų14078%0.78480%0.803SS**  trans-115.5102.7176.700000111.7
512F33.8Very low33.6Very low179 Ų179142.8 Ų142.879%0.78580%0.804SS**PPolyproline II helixtrans-98.9128.1169.5-78.7-89.6000110.2
513P38.4Very low33.7Very low127 Ų127138.1 Ų138.183%0.82580%0.799SS**PPolyproline II helixtrans-75.9123.4161.530.8-30.3000109.4
514Y32.8Very low33.7Very low225 Ų225133.2 Ų133.288%0.88280%0.797SS**PPolyproline II helixtrans-90.6150.9175.6-148.2-92.7000110.8
515A36Very low34Very low90 Ų90134.3 Ų134.374%0.74480%0.801SS**PPolyproline II helixtrans-70.7141-173.400000113.5
516V35.7Very low34.2Very low140 Ų140135.2 Ų135.285%0.84881%0.81SS**PPolyproline II helixtrans-85.9133.4165.6176.90000109
517S28.7Very low34.4Very low95 Ų95133 Ų13366%0.66481%0.806SS**PPolyproline II helixtrans-88.9129.7178.9-172.80000111.1Y519S517-Y519 VanDerWaalsContact C-N 3.34Å; S517-Y519 PolarHBondContact O-N 3.34Å; S517-Y519 VanDerWaalsContact O-N 3.09Å
518P38.7Very low34.9Very low116 Ų116135.3 Ų135.375%0.75381%0.813SS**  trans-89.454.7-169.937.4-38.2000113.5
519Y39.1Very low34.9Very low191 Ų191133.6 Ų133.675%0.74981%0.813SS**  trans-134.4145.7171.5-80.6-83.8000111.5S517S517-Y519 VanDerWaalsContact C-N 3.34Å; S517-Y519 PolarHBondContact O-N 3.34Å; S517-Y519 VanDerWaalsContact O-N 3.09Å
520F29.7Very low35.8Very low187 Ų187136.5 Ų136.582%0.8282%0.818SS**  trans76.882.1-176-50.7-70.7000117.4
521H35.3Very low35.9Very low202 Ų202137.8 Ų137.894%0.93583%0.825SS**  trans-126108.4145.5-74.1-46.9000109.7
522T30.6Very low36.8Very low138 Ų138137.6 Ų137.685%0.84782%0.823SS**  trans-127118.6176.8-54.50000109
523G32.2Very low37.2Very low80 Ų80137.6 Ų137.683%0.82583%0.826SS**  trans82.190.5163.500000116.7
524A35Very low37.1Very low103 Ų103139.6 Ų139.685%0.85182%0.824SS**  trans-134.9131.515100000108.2
525V44.3Very low37.6Very low152 Ų152132.2 Ų132.292%0.92181%0.81SS**  trans-122.3149.5178.4-680000110
526G31.8Very low37.7Very low85 Ų85132.7 Ų132.788%0.87681%0.805SS**  trans100.897.3-178.800000112
527G34.8Very low38Very low72 Ų72129 Ų12974%0.74279%0.789SS**  trans-105170.2171.300000112
528L40.9Very low39.1Very low179 Ų179129.5 Ų129.594%0.93779%0.79SS**  trans-133.3150.5153.6-74.4179.4000108.1
529S38Very low40.3Very low108 Ų108128.7 Ų128.776%0.75578%0.776SS**  trans-68.9131.1-174.952.30000112.9
530M49.7Very low42.3Very low188 Ų188123.9 Ų123.993%0.92676%0.763SS**  trans-114.3149.7145.7-80-8087.800108.8
531D39.4Very low45Very low161 Ų161116.6 Ų116.686%0.86173%0.734SS**  trans-109.4151-168.1-177.6-128.8000110.8
532G47.6Very low47.5Very low71 Ų71110.6 Ų110.673%0.73271%0.712SS**SBendtrans88.811.9148.600000121.2
533E42.7Very low50.4Low180 Ų180111.4 Ų111.484%0.84170%0.704SS**  trans-143.3100156.9-158.9-175.6132.800112.4A535E533-A535 PolarHBondContact O-N 3.43Å
534E36.7Very low53.4Low168 Ų168108.1 Ų108.179%0.78567%0.666SS**  trans-80.192167.2-172.7168.610800108.8
535A43.1Very low56.2Low71 Ų71106.7 Ų106.759%0.58765%0.647SS**PPolyproline II helixtrans-51.7127.2157.200000107.2E533 A537E533-A535 PolarHBondContact O-N 3.43Å; A535-A537 PolarHBondContact O-N 2.69Å; A535-A537 VanDerWaalsContact O-N 3.11Å
536P37.9Very low58.7Low100 Ų100101.1 Ų101.165%0.64961%0.613SS**PPolyproline II helixtrans-54.9121.8-159.518.3-32000110.8
537A42Very low61.8Low61 Ų61101.3 Ų101.350%0.50459%0.594SS.*PPolyproline II helixtrans-49.1134.317400000108.4A535 E539A535-A537 PolarHBondContact O-N 2.69Å; A535-A537 VanDerWaalsContact O-N 3.11Å; A537-E539 WeakPolarHBondContact O-CA 3.32Å; A537-E539 PolarHBondContact O-N 2.72Å
538P52.4Low64.6Low106 Ų106101.5 Ų101.569%0.68858%0.578SS**  trans-53.3107.9-163.921.7-34.3000109.5D540P538-D540 PolarHBondContact O-N 3.37Å; P538-D540 VanDerWaalsContact O-N 3.1Å
539E63Low67.2Low99 Ų9993 Ų9346%0.46353%0.533SS..  trans-51.7119.8-158.8-69.7-176-16300110.4A537 V541 L605A537-E539 WeakPolarHBondContact O-CA 3.32Å; A537-E539 PolarHBondContact O-N 2.72Å; E539-V541 PolarHBondContact O-N 3.15Å; E539-L605 VanDerWaalsContact CD-CD1 3.41Å; E539-L605 HydrophobicContact CG-CD1 4.19Å; E539-L605 WeakPolarHBondContact OE1-CD1 3.43Å; E539-L605 WeakPolarHBondContact OE2-CD1 3.33Å
540D81.3Confident69.9Low90 Ų9088.2 Ų88.248%0.48150%0.5SS..  trans-51.6110.9-174-67.5-66.7000108.7P538 T542 K543P538-D540 PolarHBondContact O-N 3.37Å; P538-D540 VanDerWaalsContact O-N 3.1Å; D540-T542 PolarHBondContact O-N 3.19Å; D540-K543 HydrophobicContact CB-CD 3.92Å; D540-K543 HydrophobicContact CB-CG 4.08Å; D540-K543 WeakPolarHBondContact O-CB 3.49Å; D540-K543 PolarHBondContact O-N 3.5Å; D540-K543 WeakPolarHBondContact OD2-CE 3.07Å; D540-K543 IonicContact OD2-NZ 2.79Å; D540-K543 PolarHBondContact OD2-NZ 2.94Å
541V85.8Confident72.1Confident35 Ų3583.5 Ų83.521%0.21249%0.486CS..G310 helixtrans-55.4-32.5-169.7179.50000110.9E539 K543 W544 G573 P577 P603E539-V541 PolarHBondContact O-N 3.15Å; V541-K543 PolarHBondContact O-N 3.1Å; V541-W544 VanDerWaalsContact O-CB 3.31Å; V541-W544 WeakPolarHBondContact O-CB 3.38Å; V541-W544 PolarHBondContact O-N 3.42Å; V541-W544 VanDerWaalsContact O-N 3.09Å; V541-G573 CarbonylContact O-C 3.37Å; V541-G573 WeakPolarHBondContact O-CA 3.47Å; V541-P577 HydrophobicContact CG1-CG 4.15Å; V541-P603 HydrophobicContact CG1-CB 4.02Å; V541-P603 HydrophobicContact CG1-CG 3.79Å; V541-P603 HydrophobicContact CG2-CB 3.92Å; V541-P603 HydrophobicContact CG2-CG 4.13Å
542T88.6Confident74.6Confident76 Ų7677.1 Ų77.147%0.46645%0.45SS..G310 helixtrans-57.2-24.4174.650.90000114.8D540 E574D540-T542 PolarHBondContact O-N 3.19Å; T542-E574 VanDerWaalsContact O-CG 3.29Å; T542-E574 WeakPolarHBondContact O-CG 3.13Å
543K91.7Very high76.8Confident154 Ų15473.7 Ų73.767%0.6742%0.415SS*.G310 helixtrans-82.6-10.7178.4-63.1173.9-177.5158.50113.6D540 V541D540-K543 HydrophobicContact CB-CD 3.92Å; D540-K543 HydrophobicContact CB-CG 4.08Å; D540-K543 WeakPolarHBondContact O-CB 3.49Å; D540-K543 PolarHBondContact O-N 3.5Å; D540-K543 WeakPolarHBondContact OD2-CE 3.07Å; D540-K543 IonicContact OD2-NZ 2.79Å; D540-K543 PolarHBondContact OD2-NZ 2.94Å; V541-K543 PolarHBondContact O-N 3.1Å
544W94.3Very high79.3Confident12 Ų1267 Ų675%0.04539%0.394CS..  trans-67.9135.2-174.7-71.519.8000111.9V541 D548 V549 F552 G573 P603 L605V541-W544 VanDerWaalsContact O-CB 3.31Å; V541-W544 WeakPolarHBondContact O-CB 3.38Å; V541-W544 PolarHBondContact O-N 3.42Å; V541-W544 VanDerWaalsContact O-N 3.09Å; W544-D548 HydrophobicContact CB-CB 4.07Å; W544-D548 HydrophobicContact CD2-CB 4.37Å; W544-D548 HydrophobicContact CE3-CB 4.4Å; W544-D548 HydrophobicContact CG-CB 4.27Å; W544-V549 HydrophobicContact CB-CG2 4.25Å; W544-V549 HydrophobicContact CE3-CG2 4.13Å; W544-F552 HydrophobicContact CH2-CB 4.08Å; W544-F552 HydrophobicContact CH2-CD2 4.16Å; W544-F552 HydrophobicContact CH2-CG 4.14Å; W544-F552 HydrophobicContact CZ3-CB 3.54Å; W544-F552 HydrophobicContact CZ3-CD1 4.19Å; W544-F552 HydrophobicContact CZ3-CD2 4.24Å; W544-F552 AromaticContact CZ3-CG 3.75Å; W544-F552 HydrophobicContact CZ3-CG 3.75Å; W544-G573 WeakPolarHBondContact O-CA 3.47Å; W544-G573 PolarHBondContact O-N 3.35Å; W544-P603 HydrophobicContact CE3-CB 4.29Å; W544-P603 HydrophobicContact CH2-CB 3.25Å; W544-P603 WeakPolarHBondContact CH2-O 3.44Å; W544-P603 HydrophobicContact CZ2-CB 3.74Å; W544-P603 WeakPolarHBondContact CZ2-O 3.4Å; W544-P603 HydrophobicContact CZ3-CB 3.55Å; W544-L605 HydrophobicContact CH2-CD2 3.6Å; W544-L605 HydrophobicContact CH2-CG 4.35Å; W544-L605 HydrophobicContact CZ2-CD2 3.44Å; W544-L605 VanDerWaalsContact CZ2-CD2 3.44Å; W544-L605 HydrophobicContact CZ2-CG 3.76Å
545T95Very high81.9Confident72 Ų7261.9 Ų61.944%0.44239%0.387SS..  trans-78.5168171.873.40000111.1D547 D548 V549T545-D547 PolarHBondContact O-N 3.48Å; T545-D547 PolarHBondContact OG1-N 2.84Å; T545-D548 WeakPolarHBondContact CA-OD2 3.36Å; T545-D548 VanDerWaalsContact CB-OD2 3.27Å; T545-D548 WeakPolarHBondContact CB-OD2 3.29Å; T545-D548 WeakPolarHBondContact CG2-OD2 3.1Å; T545-D548 PolarHBondContact N-OD2 2.89Å; T545-D548 PolarHBondContact O-N 3.21Å; T545-D548 VanDerWaalsContact O-N 3.08Å; T545-D548 PolarHBondContact OG1-N 2.93Å; T545-D548 PolarHBondContact OG1-OD2 3.29Å; T545-V549 WeakPolarHBondContact O-CG2 3.19Å; T545-V549 PolarHBondContact O-N 3.47Å
546V96Very high84.3Confident35 Ų3559 Ų5921%0.21236%0.361CS..Hα-helixtrans-56.8-31.5172.3-175.30000111.7C550 R567 I571 D572V546-C550 WeakPolarHBondContact O-CB 3.46Å; V546-C550 PolarHBondContact O-N 3.12Å; V546-C550 PolarHBondContact O-SG 2.82Å; V546-R567 HydrophobicContact CG1-CG 4.49Å; V546-I571 WeakPolarHBondContact CA-O 3.11Å; V546-D572 HydrophobicContact CG2-CB 4.14Å
547D96.4Very high86.8Confident90 Ų9058.2 Ų58.248%0.48136%0.359SS..Hα-helixtrans-70.1-38.4176.1-85.3-83000112.6T545 C550 S551 R567T545-D547 PolarHBondContact O-N 3.48Å; T545-D547 PolarHBondContact OG1-N 2.84Å; D547-C550 WeakPolarHBondContact O-CB 3.48Å; D547-C550 PolarHBondContact O-N 3.41Å; D547-S551 WeakPolarHBondContact O-CB 3.42Å; D547-S551 PolarHBondContact O-N 2.73Å; D547-R567 IonicContact OD1-CZ 3.13Å; D547-R567 IonicContact OD1-NH1 2.72Å; D547-R567 PolarHBondContact OD1-NH1 2.93Å; D547-R567 IonicContact OD1-NH2 2.74Å; D547-R567 PolarHBondContact OD1-NH2 3.47Å; D547-R567 IonicContact OD2-CZ 3.65Å; D547-R567 IonicContact OD2-NH1 2.71Å; D547-R567 PolarHBondContact OD2-NH1 3.22Å
548D94.6Very high89.1Confident75 Ų7557.9 Ų57.940%0.40136%0.361SS..Hα-helixtrans-69.7-42.6177.1-52.5-54.9000111.1W544 T545 C550 S551 F552W544-D548 HydrophobicContact CB-CB 4.07Å; W544-D548 HydrophobicContact CD2-CB 4.37Å; W544-D548 HydrophobicContact CE3-CB 4.4Å; W544-D548 HydrophobicContact CG-CB 4.27Å; T545-D548 WeakPolarHBondContact CA-OD2 3.36Å; T545-D548 VanDerWaalsContact CB-OD2 3.27Å; T545-D548 WeakPolarHBondContact CB-OD2 3.29Å; T545-D548 WeakPolarHBondContact CG2-OD2 3.1Å; T545-D548 PolarHBondContact N-OD2 2.89Å; T545-D548 PolarHBondContact O-N 3.21Å; T545-D548 VanDerWaalsContact O-N 3.08Å; T545-D548 PolarHBondContact OG1-N 2.93Å; T545-D548 PolarHBondContact OG1-OD2 3.29Å; D548-C550 VanDerWaalsContact C-N 3.31Å; D548-C550 PolarHBondContact O-N 3.49Å; D548-S551 WeakPolarHBondContact O-CB 3.39Å; D548-S551 PolarHBondContact O-N 2.67Å; D548-S551 VanDerWaalsContact O-N 3.13Å; D548-F552 PolarHBondContact O-N 3.37Å
549V94.8Very high91Very high0 Ų052.8 Ų52.80%033%0.328CS..Hα-helixtrans-59.6-42.1171.2175.20000111W544 T545 S551 F552 V553 F566 I571 L576W544-V549 HydrophobicContact CB-CG2 4.25Å; W544-V549 HydrophobicContact CE3-CG2 4.13Å; T545-V549 WeakPolarHBondContact O-CG2 3.19Å; T545-V549 PolarHBondContact O-N 3.47Å; V549-S551 VanDerWaalsContact C-N 3.34Å; V549-F552 PolarHBondContact O-N 2.98Å; V549-V553 HydrophobicContact CG1-CG2 4.48Å; V549-V553 WeakPolarHBondContact O-CB 3.32Å; V549-V553 WeakPolarHBondContact O-CG2 3.4Å; V549-V553 PolarHBondContact O-N 2.88Å; V549-F566 HydrophobicContact CG1-CD1 3.73Å; V549-F566 HydrophobicContact CG1-CE1 4.42Å; V549-I571 WeakPolarHBondContact CB-O 3.4Å; V549-I571 HydrophobicContact CG1-CB 4.44Å; V549-I571 HydrophobicContact CG1-CG2 4.09Å; V549-L576 HydrophobicContact CG1-CD1 4.29Å; V549-L576 HydrophobicContact CG1-CD2 4.23Å; V549-L576 HydrophobicContact CG2-CB 4.43Å; V549-L576 HydrophobicContact CG2-CD2 4.14Å
550C95.2Very high92.4Very high8 Ų849.6 Ų49.65%0.05432%0.322CS..Hα-helixtrans-65-36.6174.2-73.10000112.7V546 D547 D548 G554 T563V546-C550 WeakPolarHBondContact O-CB 3.46Å; V546-C550 PolarHBondContact O-N 3.12Å; V546-C550 PolarHBondContact O-SG 2.82Å; D547-C550 WeakPolarHBondContact O-CB 3.48Å; D547-C550 PolarHBondContact O-N 3.41Å; D548-C550 VanDerWaalsContact C-N 3.31Å; D548-C550 PolarHBondContact O-N 3.49Å; C550-G554 PolarHBondContact O-N 3Å; C550-T563 VanDerWaalsContact O-CG2 3.31Å; C550-T563 WeakPolarHBondContact O-CG2 3.42Å; C550-T563 PolarHBondContact SG-O 3.44Å; C550-T563 VanDerWaalsContact SG-O 3.41Å
551S94.6Very high92.9Very high89 Ų8950.7 Ų50.762%0.62232%0.324SS*.Hα-helixtrans-63.7-48175.5-169.10000111.1D547 D548 V549 G554 G555D547-S551 WeakPolarHBondContact O-CB 3.42Å; D547-S551 PolarHBondContact O-N 2.73Å; D548-S551 WeakPolarHBondContact O-CB 3.39Å; D548-S551 PolarHBondContact O-N 2.67Å; D548-S551 VanDerWaalsContact O-N 3.13Å; V549-S551 VanDerWaalsContact C-N 3.34Å; S551-G554 WeakPolarHBondContact O-CA 3.49Å; S551-G554 PolarHBondContact O-N 3.42Å; S551-G555 PolarHBondContact O-N 3.01Å
552F93.3Very high93.3Very high27 Ų2749.9 Ų49.912%0.11832%0.317CS..Hα-helixtrans-59-52.9174.8169.3-108.1000112.5W544 D548 V549 G554 G555 L556 L576 Q601 P603W544-F552 HydrophobicContact CH2-CB 4.08Å; W544-F552 HydrophobicContact CH2-CD2 4.16Å; W544-F552 HydrophobicContact CH2-CG 4.14Å; W544-F552 HydrophobicContact CZ3-CB 3.54Å; W544-F552 HydrophobicContact CZ3-CD1 4.19Å; W544-F552 HydrophobicContact CZ3-CD2 4.24Å; W544-F552 AromaticContact CZ3-CG 3.75Å; W544-F552 HydrophobicContact CZ3-CG 3.75Å; D548-F552 PolarHBondContact O-N 3.37Å; V549-F552 PolarHBondContact O-N 2.98Å; F552-G554 PolarHBondContact O-N 3.46Å; F552-G555 PolarHBondContact O-N 3.41Å; F552-G555 VanDerWaalsContact O-N 3.11Å; F552-L556 HydrophobicContact CE1-CD1 4.06Å; F552-L556 HydrophobicContact CZ-CD1 4.11Å; F552-L556 WeakPolarHBondContact O-CG 3.37Å; F552-L556 PolarHBondContact O-N 2.97Å; F552-L576 HydrophobicContact CD1-CD2 4.35Å; F552-L576 HydrophobicContact CE1-CD2 4.4Å; F552-Q601 HydrophobicContact CZ-CB 4.18Å; F552-P603 HydrophobicContact CE1-CG 4.36Å; F552-P603 HydrophobicContact CE2-CB 4.38Å; F552-P603 HydrophobicContact CZ-CB 4.31Å; F552-P603 HydrophobicContact CZ-CG 4.29Å
553V94.1Very high93.6Very high0 Ų048.1 Ų48.10%031%0.306CS..Hα-helixtrans-62.8-28.2177.4175.40000111.7V549 C559 T563 F566 I598V549-V553 HydrophobicContact CG1-CG2 4.48Å; V549-V553 WeakPolarHBondContact O-CB 3.32Å; V549-V553 WeakPolarHBondContact O-CG2 3.4Å; V549-V553 PolarHBondContact O-N 2.88Å; V553-C559 HydrophobicContact CG1-CB 4.21Å; V553-C559 CarbonylContact O-C 3.49Å; V553-C559 VanDerWaalsContact O-CB 3.31Å; V553-C559 WeakPolarHBondContact O-CB 3.42Å; V553-T563 HydrophobicContact CB-CG2 4.16Å; V553-T563 HydrophobicContact CG1-CG2 3.99Å; V553-F566 HydrophobicContact CG1-CD2 4.3Å; V553-F566 HydrophobicContact CG1-CE2 4.41Å; V553-F566 HydrophobicContact CG2-CD1 4.06Å; V553-F566 HydrophobicContact CG2-CE1 4.05Å; V553-F566 HydrophobicContact CG2-CE2 4.5Å; V553-F566 HydrophobicContact CG2-CG 4.31Å; V553-F566 HydrophobicContact CG2-CZ 4.28Å; V553-I598 HydrophobicContact CG1-CD1 4.09Å; V553-I598 HydrophobicContact CG2-CD1 4.34Å; V553-I598 HydrophobicContact CG2-CG1 4.39Å
554G94Very high93.8Very high38 Ų3849 Ų4939%0.39231%0.305SS..Hα-helixtrans-69.9-38.8173.200000113.9C550 S551 F552 L556 T563C550-G554 PolarHBondContact O-N 3Å; S551-G554 WeakPolarHBondContact O-CA 3.49Å; S551-G554 PolarHBondContact O-N 3.42Å; F552-G554 PolarHBondContact O-N 3.46Å; G554-L556 VanDerWaalsContact C-N 3.29Å; G554-L556 PolarHBondContact O-N 2.88Å; G554-T563 VanDerWaalsContact CA-CG2 3.46Å; G554-T563 VanDerWaalsContact N-CG2 3.31Å
555G92.1Very high93.8Very high62 Ų6250 Ų5064%0.63931%0.312SS*.Hα-helixtrans-70.7-20.9175.100000114.1S551 F552 S557S551-G555 PolarHBondContact O-N 3.01Å; F552-G555 PolarHBondContact O-N 3.41Å; F552-G555 VanDerWaalsContact O-N 3.11Å; G555-S557 PolarHBondContact O-N 3.31Å
556L92.7Very high93.8Very high9 Ų946.5 Ų46.55%0.04729%0.291CS..SBendtrans-72.5124.6177.3-68.8178000111.8F552 G554 G558 C559 I598 Q601F552-L556 HydrophobicContact CE1-CD1 4.06Å; F552-L556 HydrophobicContact CZ-CD1 4.11Å; F552-L556 WeakPolarHBondContact O-CG 3.37Å; F552-L556 PolarHBondContact O-N 2.97Å; G554-L556 VanDerWaalsContact C-N 3.29Å; G554-L556 PolarHBondContact O-N 2.88Å; L556-G558 PolarHBondContact O-N 3.44Å; L556-C559 HydrophobicContact CB-CB 3.61Å; L556-C559 WeakPolarHBondContact O-CB 3.47Å; L556-C559 PolarHBondContact O-N 3.32Å; L556-I598 HydrophobicContact CD1-CB 4.38Å; L556-I598 HydrophobicContact CD1-CG1 3.65Å; L556-Q601 HydrophobicContact CD2-CB 4.48Å; L556-Q601 HydrophobicContact CD2-CG 4.2Å; L556-Q601 VanDerWaalsContact CD2-OE1 3.22Å
557S91.9Very high93.8Very high85 Ų8550.6 Ų50.659%0.59430%0.303SS*.THydrogen-bonded Turntrans-58.2118.4-175.256.20000112.9G555 C559 K597G555-S557 PolarHBondContact O-N 3.31Å; S557-C559 VanDerWaalsContact C-N 3.27Å; S557-C559 PolarHBondContact O-N 3.29Å; S557-K597 PolarHBondContact O-NZ 2.69Å; S557-K597 PolarHBondContact OG-NZ 2.91Å
558G89.4Confident93.8Very high53 Ų5352 Ų5255%0.54631%0.307SS..THydrogen-bonded Turntrans68.922.2-176.400000114.5L556L556-G558 PolarHBondContact O-N 3.44Å
559C92.4Very high93.8Very high0 Ų053.2 Ų53.20%031%0.31CS..THydrogen-bonded Turntrans-111.9-13.8171.6-65.10000113.2V553 L556 S557 E561 Y562V553-C559 HydrophobicContact CG1-CB 4.21Å; V553-C559 CarbonylContact O-C 3.49Å; V553-C559 VanDerWaalsContact O-CB 3.31Å; V553-C559 WeakPolarHBondContact O-CB 3.42Å; L556-C559 HydrophobicContact CB-CB 3.61Å; L556-C559 WeakPolarHBondContact O-CB 3.47Å; L556-C559 PolarHBondContact O-N 3.32Å; S557-C559 VanDerWaalsContact C-N 3.27Å; S557-C559 PolarHBondContact O-N 3.29Å; C559-E561 PolarHBondContact O-N 2.97Å; C559-E561 VanDerWaalsContact O-N 3.08Å; C559-Y562 WeakPolarHBondContact O-CB 3.4Å; C559-Y562 WeakPolarHBondContact O-CD2 3.18Å; C559-Y562 PolarHBondContact O-N 3.49Å
560G91.5Very high93.8Very high32 Ų3255 Ų5533%0.3333%0.328SS..G310 helixtrans-52.4-32.6-179.200000114.9Y562 T563G560-Y562 PolarHBondContact O-N 3.45Å; G560-T563 WeakPolarHBondContact O-CB 3.44Å; G560-T563 WeakPolarHBondContact O-CG2 3.37Å; G560-T563 PolarHBondContact O-N 2.89Å; G560-T563 PolarHBondContact O-OG1 3.23Å
561E92.7Very high93.8Very high113 Ų11354.9 Ų54.953%0.52833%0.327SS..G310 helixtrans-60-23.2174.667-160.3-123.900114.1C559 K591C559-E561 PolarHBondContact O-N 2.97Å; C559-E561 VanDerWaalsContact O-N 3.08Å; E561-K591 IonicContact OE1-NZ 2.72Å; E561-K591 PolarHBondContact OE1-NZ 2.93Å
562Y93.7Very high93.8Very high18 Ų1853.2 Ų53.27%0.07131%0.311CS..G310 helixtrans-96.3-9-179.5-53.9-72.6000114C559 G560 R564 V565 F566 L590 K591 P594C559-Y562 WeakPolarHBondContact O-CB 3.4Å; C559-Y562 WeakPolarHBondContact O-CD2 3.18Å; C559-Y562 PolarHBondContact O-N 3.49Å; G560-Y562 PolarHBondContact O-N 3.45Å; Y562-R564 PolarHBondContact O-N 3.4Å; Y562-V565 WeakPolarHBondContact O-CA 3.32Å; Y562-V565 WeakPolarHBondContact O-CB 3.41Å; Y562-V565 PolarHBondContact O-N 3.3Å; Y562-F566 WeakPolarHBondContact O-CD2 3.41Å; Y562-F566 PolarHBondContact O-N 2.89Å; Y562-F566 VanDerWaalsContact O-N 3.12Å; Y562-L590 HydrophobicContact CD1-CD1 3.61Å; Y562-L590 HydrophobicContact CD1-CG 3.58Å; Y562-L590 HydrophobicContact CD2-CD2 4.45Å; Y562-L590 HydrophobicContact CD2-CG 4.16Å; Y562-L590 HydrophobicContact CE1-CB 4.43Å; Y562-L590 HydrophobicContact CE1-CD1 4.24Å; Y562-L590 HydrophobicContact CE1-CG 3.88Å; Y562-L590 HydrophobicContact CE2-CG 4.45Å; Y562-L590 HydrophobicContact CG-CD1 3.95Å; Y562-L590 HydrophobicContact CG-CD2 4.24Å; Y562-L590 HydrophobicContact CG-CG 3.72Å; Y562-K591 VanDerWaalsContact OH-CD 3.3Å; Y562-K591 WeakPolarHBondContact OH-CD 3.46Å; Y562-K591 VanDerWaalsContact OH-CE 3.3Å; Y562-K591 WeakPolarHBondContact OH-CE 3.46Å; Y562-K591 PolarHBondContact OH-NZ 3.17Å; Y562-K591 VanDerWaalsContact OH-NZ 3.13Å; Y562-P594 HydrophobicContact CD2-CB 3.94Å; Y562-P594 HydrophobicContact CD2-CG 4.32Å; Y562-P594 HydrophobicContact CE2-CB 3.55Å; Y562-P594 HydrophobicContact CE2-CG 3.48Å; Y562-P594 VanDerWaalsContact CE2-CG 3.48Å
563T95Very high93.8Very high38 Ų3852 Ų5223%0.23331%0.305CS..Hα-helixtrans-54-39.8178.854.50000112.5C550 V553 G554 G560 V565 F566 R567C550-T563 VanDerWaalsContact O-CG2 3.31Å; C550-T563 WeakPolarHBondContact O-CG2 3.42Å; C550-T563 PolarHBondContact SG-O 3.44Å; C550-T563 VanDerWaalsContact SG-O 3.41Å; V553-T563 HydrophobicContact CB-CG2 4.16Å; V553-T563 HydrophobicContact CG1-CG2 3.99Å; G554-T563 VanDerWaalsContact CA-CG2 3.46Å; G554-T563 VanDerWaalsContact N-CG2 3.31Å; G560-T563 WeakPolarHBondContact O-CB 3.44Å; G560-T563 WeakPolarHBondContact O-CG2 3.37Å; G560-T563 PolarHBondContact O-N 2.89Å; G560-T563 PolarHBondContact O-OG1 3.23Å; T563-V565 VanDerWaalsContact C-N 3.31Å; T563-V565 PolarHBondContact O-N 3.5Å; T563-F566 PolarHBondContact O-N 2.87Å; T563-R567 PolarHBondContact O-N 3.22Å
564R95.2Very high93.6Very high172 Ų17258.1 Ų58.165%0.64933%0.334SS*.Hα-helixtrans-57.9-40.7173178.4176.4169.5173.4-0.9112.5Y562 R567 E568Y562-R564 PolarHBondContact O-N 3.4Å; R564-R567 PolarHBondContact O-N 2.94Å; R564-E568 HydrophobicContact CG-CG 4.3Å; R564-E568 IonicContact CZ-OE1 2.72Å; R564-E568 IonicContact NE-OE1 2.69Å; R564-E568 PolarHBondContact NE-OE1 3.44Å; R564-E568 IonicContact NE-OE2 3.17Å; R564-E568 IonicContact NH2-OE1 3.93Å; R564-E568 PolarHBondContact NH2-OE1 2.72Å; R564-E568 WeakPolarHBondContact O-CB 3.48Å; R564-E568 WeakPolarHBondContact O-CG 3.49Å; R564-E568 PolarHBondContact O-N 2.94Å
565V95.1Very high93.6Very high33 Ų3358.6 Ų58.620%0.233%0.33CS..Hα-helixtrans-68.7-40.7180-172.40000110.7Y562 T563 R567 E568 Q569 M588Y562-V565 WeakPolarHBondContact O-CA 3.32Å; Y562-V565 WeakPolarHBondContact O-CB 3.41Å; Y562-V565 PolarHBondContact O-N 3.3Å; T563-V565 VanDerWaalsContact C-N 3.31Å; T563-V565 PolarHBondContact O-N 3.5Å; V565-R567 VanDerWaalsContact C-N 3.3Å; V565-R567 PolarHBondContact O-N 3.44Å; V565-E568 PolarHBondContact O-N 2.95Å; V565-Q569 HydrophobicContact CG1-CG 4.26Å; V565-Q569 WeakPolarHBondContact O-CB 3.39Å; V565-Q569 VanDerWaalsContact O-CG 3.27Å; V565-Q569 WeakPolarHBondContact O-CG 3.49Å; V565-Q569 PolarHBondContact O-N 2.88Å; V565-M588 HydrophobicContact CG1-CB 3.79Å; V565-M588 HydrophobicContact CG1-CG 4.03Å; V565-M588 HydrophobicContact CG1-SD 4.29Å
566F95.3Very high93.6Very high0 Ų056.3 Ų56.30%030%0.303CS..Hα-helixtrans-62.2-38.8173.9-81.8-110000111.6V549 V553 Y562 T563 G570 I571 L576 L579 L584 M588 L590 I598V549-F566 HydrophobicContact CG1-CD1 3.73Å; V549-F566 HydrophobicContact CG1-CE1 4.42Å; V553-F566 HydrophobicContact CG1-CD2 4.3Å; V553-F566 HydrophobicContact CG1-CE2 4.41Å; V553-F566 HydrophobicContact CG2-CD1 4.06Å; V553-F566 HydrophobicContact CG2-CE1 4.05Å; V553-F566 HydrophobicContact CG2-CE2 4.5Å; V553-F566 HydrophobicContact CG2-CG 4.31Å; V553-F566 HydrophobicContact CG2-CZ 4.28Å; Y562-F566 WeakPolarHBondContact O-CD2 3.41Å; Y562-F566 PolarHBondContact O-N 2.89Å; Y562-F566 VanDerWaalsContact O-N 3.12Å; T563-F566 PolarHBondContact O-N 2.87Å; F566-G570 PolarHBondContact O-N 3.02Å; F566-G570 VanDerWaalsContact O-N 3.11Å; F566-I571 HydrophobicContact CB-CB 4.41Å; F566-I571 HydrophobicContact CB-CG1 4.39Å; F566-I571 HydrophobicContact CD1-CB 3.79Å; F566-I571 HydrophobicContact CD1-CG1 3.89Å; F566-I571 HydrophobicContact CD1-CG2 3.83Å; F566-I571 HydrophobicContact CE1-CG1 4.5Å; F566-I571 HydrophobicContact CE1-CG2 4.18Å; F566-I571 HydrophobicContact CG-CB 4.47Å; F566-I571 HydrophobicContact CG-CG1 4.31Å; F566-I571 PolarHBondContact O-N 3.03Å; F566-L576 HydrophobicContact CE1-CD1 3.99Å; F566-L579 HydrophobicContact CE1-CD1 3.77Å; F566-L579 HydrophobicContact CZ-CD1 4.25Å; F566-L584 HydrophobicContact CE2-CD2 4.31Å; F566-L584 HydrophobicContact CZ-CD2 3.65Å; F566-M588 HydrophobicContact CD2-SD 3.99Å; F566-M588 HydrophobicContact CE2-SD 3.73Å; F566-M588 HydrophobicContact CG-SD 4.5Å; F566-M588 HydrophobicContact CZ-CE 4.43Å; F566-M588 HydrophobicContact CZ-SD 4.01Å; F566-L590 HydrophobicContact CE2-CD1 4.38Å; F566-L590 HydrophobicContact CE2-CD2 4.24Å; F566-I598 HydrophobicContact CE1-CG2 4.38Å; F566-I598 HydrophobicContact CE2-CD1 3.99Å; F566-I598 HydrophobicContact CZ-CD1 3.86Å; F566-I598 HydrophobicContact CZ-CG2 4.1Å
567R96.1Very high93.5Very high121 Ų12160 Ų6046%0.45733%0.327SS..Hα-helixtrans-66.8-43.5173.1-168.4175.3-66.1-90.52.8113.2V546 D547 T563 R564 V565 Q569 G570V546-R567 HydrophobicContact CG1-CG 4.49Å; D547-R567 IonicContact OD1-CZ 3.13Å; D547-R567 IonicContact OD1-NH1 2.72Å; D547-R567 PolarHBondContact OD1-NH1 2.93Å; D547-R567 IonicContact OD1-NH2 2.74Å; D547-R567 PolarHBondContact OD1-NH2 3.47Å; D547-R567 IonicContact OD2-CZ 3.65Å; D547-R567 IonicContact OD2-NH1 2.71Å; D547-R567 PolarHBondContact OD2-NH1 3.22Å; T563-R567 PolarHBondContact O-N 3.22Å; R564-R567 PolarHBondContact O-N 2.94Å; V565-R567 VanDerWaalsContact C-N 3.3Å; V565-R567 PolarHBondContact O-N 3.44Å; R567-Q569 VanDerWaalsContact C-N 3.34Å; R567-G570 PolarHBondContact O-N 3.13Å
568E95.6Very high93.5Very high119 Ų11962.5 Ų62.556%0.55633%0.333SS*.Hα-helixtrans-69.4-29.7-179.9-76.4175.4160.900112.8R564 V565R564-E568 HydrophobicContact CG-CG 4.3Å; R564-E568 IonicContact CZ-OE1 2.72Å; R564-E568 IonicContact NE-OE1 2.69Å; R564-E568 PolarHBondContact NE-OE1 3.44Å; R564-E568 IonicContact NE-OE2 3.17Å; R564-E568 IonicContact NH2-OE1 3.93Å; R564-E568 PolarHBondContact NH2-OE1 2.72Å; R564-E568 WeakPolarHBondContact O-CB 3.48Å; R564-E568 WeakPolarHBondContact O-CG 3.49Å; R564-E568 PolarHBondContact O-N 2.94Å; V565-E568 PolarHBondContact O-N 2.95Å
569Q94.7Very high93.7Very high101 Ų10160.7 Ų60.747%0.47231%0.311SS..THydrogen-bonded Turntrans-85.8-6.5172.2-62.5-68.3-14.200113.2V565 R567 I571 M588V565-Q569 HydrophobicContact CG1-CG 4.26Å; V565-Q569 WeakPolarHBondContact O-CB 3.39Å; V565-Q569 VanDerWaalsContact O-CG 3.27Å; V565-Q569 WeakPolarHBondContact O-CG 3.49Å; V565-Q569 PolarHBondContact O-N 2.88Å; R567-Q569 VanDerWaalsContact C-N 3.34Å; Q569-I571 HydrophobicContact CB-CD1 3.76Å; Q569-I571 HydrophobicContact CB-CG1 3.93Å; Q569-M588 HydrophobicContact CG-CG 4.27Å
570G94.3Very high93.7Very high36 Ų3664.2 Ų64.237%0.37133%0.333SS..THydrogen-bonded Turntrans65.933.6-179.900000114.4F566 R567 D572F566-G570 PolarHBondContact O-N 3.02Å; F566-G570 VanDerWaalsContact O-N 3.11Å; R567-G570 PolarHBondContact O-N 3.13Å; G570-D572 PolarHBondContact O-N 3.36Å; G570-D572 VanDerWaalsContact O-N 3.16Å
571I95.4Very high93.8Very high7 Ų766.1 Ų66.14%0.03633%0.333CS..  trans-70.7110.8-176.4-51.7-54.1000110.4V546 V549 F566 Q569 T575 L576 L579 M588V546-I571 WeakPolarHBondContact CA-O 3.11Å; V549-I571 WeakPolarHBondContact CB-O 3.4Å; V549-I571 HydrophobicContact CG1-CB 4.44Å; V549-I571 HydrophobicContact CG1-CG2 4.09Å; F566-I571 HydrophobicContact CB-CB 4.41Å; F566-I571 HydrophobicContact CB-CG1 4.39Å; F566-I571 HydrophobicContact CD1-CB 3.79Å; F566-I571 HydrophobicContact CD1-CG1 3.89Å; F566-I571 HydrophobicContact CD1-CG2 3.83Å; F566-I571 HydrophobicContact CE1-CG1 4.5Å; F566-I571 HydrophobicContact CE1-CG2 4.18Å; F566-I571 HydrophobicContact CG-CB 4.47Å; F566-I571 HydrophobicContact CG-CG1 4.31Å; F566-I571 PolarHBondContact O-N 3.03Å; Q569-I571 HydrophobicContact CB-CD1 3.76Å; Q569-I571 HydrophobicContact CB-CG1 3.93Å; I571-T575 HydrophobicContact CD1-CG2 3.97Å; I571-T575 HydrophobicContact CG2-CG2 4.36Å; I571-L576 HydrophobicContact CG2-CB 4.11Å; I571-L579 HydrophobicContact CD1-CD2 4.23Å; I571-L579 HydrophobicContact CG1-CD1 4.47Å; I571-L579 HydrophobicContact CG2-CD1 3.83Å; I571-M588 HydrophobicContact CD1-CE 3.67Å; I571-M588 HydrophobicContact CG1-CE 3.76Å
572D95.1Very high93.9Very high54 Ų5467.5 Ų67.529%0.28934%0.339SS..  trans-98.1-177.3173.260.617.6000112.4V546 G570 E574 T575 L576V546-D572 HydrophobicContact CG2-CB 4.14Å; G570-D572 PolarHBondContact O-N 3.36Å; G570-D572 VanDerWaalsContact O-N 3.16Å; D572-E574 VanDerWaalsContact C-N 3.34Å; D572-E574 PolarHBondContact O-N 3.11Å; D572-E574 PolarHBondContact OD1-N 2.93Å; D572-T575 PolarHBondContact O-N 3.28Å; D572-T575 WeakPolarHBondContact OD1-CB 3.47Å; D572-T575 PolarHBondContact OD1-N 3.15Å; D572-T575 PolarHBondContact OD1-OG1 3.3Å; D572-L576 WeakPolarHBondContact O-CB 3.37Å; D572-L576 PolarHBondContact O-N 2.81Å
573G92.9Very high93.9Very high0 Ų069.2 Ų69.20%035%0.348CS..THydrogen-bonded Turntrans-65.1-28.5179.500000115.8V541 W544 P577V541-G573 CarbonylContact O-C 3.37Å; V541-G573 WeakPolarHBondContact O-CA 3.47Å; W544-G573 WeakPolarHBondContact O-CA 3.47Å; W544-G573 PolarHBondContact O-N 3.35Å; G573-P577 WeakPolarHBondContact O-CD 3.46Å
574E91.6Very high93.9Very high129 Ų12967.4 Ų67.460%0.60334%0.337SS*.THydrogen-bonded Turntrans-76.4-35.6174.3-57.9-162.1154.800111T542 D572T542-E574 VanDerWaalsContact O-CG 3.29Å; T542-E574 WeakPolarHBondContact O-CG 3.13Å; D572-E574 VanDerWaalsContact C-N 3.34Å; D572-E574 PolarHBondContact O-N 3.11Å; D572-E574 PolarHBondContact OD1-N 2.93Å
575T92.4Very high93.9Very high49 Ų4962.1 Ų62.130%0.30132%0.321SS..THydrogen-bonded Turntrans-80.3-37.6-178.9-54.10000112.7I571 D572 L578 L579I571-T575 HydrophobicContact CD1-CG2 3.97Å; I571-T575 HydrophobicContact CG2-CG2 4.36Å; D572-T575 PolarHBondContact O-N 3.28Å; D572-T575 WeakPolarHBondContact OD1-CB 3.47Å; D572-T575 PolarHBondContact OD1-N 3.15Å; D572-T575 PolarHBondContact OD1-OG1 3.3Å; T575-L578 WeakPolarHBondContact O-CA 3.42Å; T575-L578 WeakPolarHBondContact O-CB 3.18Å; T575-L578 PolarHBondContact O-N 3.39Å; T575-L579 HydrophobicContact CG2-CD2 4.08Å; T575-L579 PolarHBondContact O-N 2.9Å
576L92.4Very high93.7Very high14 Ų1465.3 Ų65.37%0.07334%0.341CS..G310 helixtrans-52-45.3-175.4174.767.1000113.9V549 F552 F566 I571 D572 L578 L579 I598 P603V549-L576 HydrophobicContact CG1-CD1 4.29Å; V549-L576 HydrophobicContact CG1-CD2 4.23Å; V549-L576 HydrophobicContact CG2-CB 4.43Å; V549-L576 HydrophobicContact CG2-CD2 4.14Å; F552-L576 HydrophobicContact CD1-CD2 4.35Å; F552-L576 HydrophobicContact CE1-CD2 4.4Å; F566-L576 HydrophobicContact CE1-CD1 3.99Å; I571-L576 HydrophobicContact CG2-CB 4.11Å; D572-L576 WeakPolarHBondContact O-CB 3.37Å; D572-L576 PolarHBondContact O-N 2.81Å; L576-L578 VanDerWaalsContact C-N 3.28Å; L576-L578 PolarHBondContact O-N 3.2Å; L576-L579 HydrophobicContact CD1-CD1 4.21Å; L576-L579 WeakPolarHBondContact O-CB 3.35Å; L576-L579 PolarHBondContact O-N 3.46Å; L576-I598 HydrophobicContact CD1-CG2 4.11Å; L576-P603 HydrophobicContact CD2-CG 3.84Å
577P90.8Very high93.5Very high87 Ų8770 Ų7057%0.56537%0.366SS*.G310 helixtrans-69.1-21176.4-20.434.1000114.4V541 G573 L579V541-P577 HydrophobicContact CG1-CG 4.15Å; G573-P577 WeakPolarHBondContact O-CD 3.46Å; P577-L579 VanDerWaalsContact C-N 3.32Å
578L92Very high93.3Very high136 Ų13664.9 Ų64.971%0.71235%0.347SS*.G310 helixtrans-83.4-9.5179.9-55.5177.1000112.5T575 L576 T580T575-L578 WeakPolarHBondContact O-CA 3.42Å; T575-L578 WeakPolarHBondContact O-CB 3.18Å; T575-L578 PolarHBondContact O-N 3.39Å; L576-L578 VanDerWaalsContact C-N 3.28Å; L576-L578 PolarHBondContact O-N 3.2Å; L578-T580 PolarHBondContact O-N 3.31Å; L578-T580 VanDerWaalsContact O-N 3.14Å
579L92.6Very high93.1Very high15 Ų1561.8 Ų61.88%0.07935%0.347CS..  trans-70.2108.1-177.6-62.6-174.9000112.3F566 I571 T575 L576 P577 L584 M588F566-L579 HydrophobicContact CE1-CD1 3.77Å; F566-L579 HydrophobicContact CZ-CD1 4.25Å; I571-L579 HydrophobicContact CD1-CD2 4.23Å; I571-L579 HydrophobicContact CG1-CD1 4.47Å; I571-L579 HydrophobicContact CG2-CD1 3.83Å; T575-L579 HydrophobicContact CG2-CD2 4.08Å; T575-L579 PolarHBondContact O-N 2.9Å; L576-L579 HydrophobicContact CD1-CD1 4.21Å; L576-L579 WeakPolarHBondContact O-CB 3.35Å; L576-L579 PolarHBondContact O-N 3.46Å; P577-L579 VanDerWaalsContact C-N 3.32Å; L579-L584 HydrophobicContact CB-CD2 4.38Å; L579-L584 HydrophobicContact CB-CG 4.33Å; L579-L584 HydrophobicContact CD1-CD2 3.97Å; L579-M588 HydrophobicContact CD1-CE 3.56Å; L579-M588 HydrophobicContact CD2-CE 3.82Å; L579-M588 HydrophobicContact CG-CE 4.33Å
580T93.9Very high93.1Very high75 Ų7557.3 Ų57.346%0.4633%0.326SS..  trans-71.5158.2172.569.80000111.6L578 E582 H583 L584L578-T580 PolarHBondContact O-N 3.31Å; L578-T580 VanDerWaalsContact O-N 3.14Å; T580-E582 VanDerWaalsContact C-N 3.27Å; T580-E582 PolarHBondContact O-N 2.99Å; T580-H583 PolarHBondContact O-N 2.87Å; T580-H583 WeakPolarHBondContact OG1-CB 3.39Å; T580-H583 PolarHBondContact OG1-N 2.91Å; T580-H583 VanDerWaalsContact OG1-N 3.14Å; T580-L584 WeakPolarHBondContact O-CG 3.44Å; T580-L584 PolarHBondContact O-N 2.81Å; T580-L584 VanDerWaalsContact O-N 3.09Å
581E93.6Very high93.2Very high71 Ų7161.7 Ų61.733%0.33234%0.335SS..Hα-helixtrans-58.1-41.7173.4-160.1171.9129.700111.8H583 L584 L585 L592 L596 R599E581-H583 VanDerWaalsContact C-N 3.35Å; E581-H583 PolarHBondContact O-N 3.45Å; E581-L584 PolarHBondContact O-N 3.48Å; E581-L585 HydrophobicContact CG-CD1 4.1Å; E581-L585 WeakPolarHBondContact O-CB 3.39Å; E581-L585 WeakPolarHBondContact O-CG 3.43Å; E581-L585 PolarHBondContact O-N 3.13Å; E581-L592 HydrophobicContact CG-CD1 4.41Å; E581-L592 WeakPolarHBondContact OE1-CD1 3.41Å; E581-L596 WeakPolarHBondContact OE2-CD2 3.38Å; E581-R599 IonicContact OE2-CZ 2.67Å; E581-R599 IonicContact OE2-NH1 3.18Å; E581-R599 PolarHBondContact OE2-NH1 3.15Å
582E93.3Very high93.1Very high142 Ų14265.6 Ų65.666%0.66436%0.356SS*.Hα-helixtrans-59.7-43.2176-177.8174-162.100111.9T580 L585 T586T580-E582 VanDerWaalsContact C-N 3.27Å; T580-E582 PolarHBondContact O-N 2.99Å; E582-L585 PolarHBondContact O-N 3.48Å; E582-T586 WeakPolarHBondContact O-CA 3.48Å; E582-T586 WeakPolarHBondContact O-CB 3.49Å; E582-T586 PolarHBondContact O-N 3.03Å; E582-T586 PolarHBondContact O-OG1 3.41Å
583H94.3Very high93Very high54 Ų5465 Ų6525%0.2536%0.363CS..Hα-helixtrans-66.3-44.2178.9-177101000111.7T580 E581 L585 T586 N587 M588T580-H583 PolarHBondContact O-N 2.87Å; T580-H583 WeakPolarHBondContact OG1-CB 3.39Å; T580-H583 PolarHBondContact OG1-N 2.91Å; T580-H583 VanDerWaalsContact OG1-N 3.14Å; E581-H583 VanDerWaalsContact C-N 3.35Å; E581-H583 PolarHBondContact O-N 3.45Å; H583-L585 PolarHBondContact O-N 2.91Å; H583-T586 PolarHBondContact O-N 3.24Å; H583-N587 WeakPolarHBondContact O-CA 3.38Å; H583-N587 WeakPolarHBondContact O-CB 3.43Å; H583-N587 PolarHBondContact O-N 3.41Å; H583-M588 PolarHBondContact O-N 3.12Å; H583-M588 VanDerWaalsContact O-N 3.16Å
584L95.1Very high93Very high0 Ų065.9 Ų65.90%037%0.368CS..Hα-helixtrans-60.6-44.6175.8-68.5166.5000111.6F566 L579 T580 E581 M588 G589 L590 A595 R599F566-L584 HydrophobicContact CE2-CD2 4.31Å; F566-L584 HydrophobicContact CZ-CD2 3.65Å; L579-L584 HydrophobicContact CB-CD2 4.38Å; L579-L584 HydrophobicContact CB-CG 4.33Å; L579-L584 HydrophobicContact CD1-CD2 3.97Å; T580-L584 WeakPolarHBondContact O-CG 3.44Å; T580-L584 PolarHBondContact O-N 2.81Å; T580-L584 VanDerWaalsContact O-N 3.09Å; E581-L584 PolarHBondContact O-N 3.48Å; L584-M588 HydrophobicContact CD2-CE 4.09Å; L584-M588 HydrophobicContact CD2-SD 4.14Å; L584-G589 PolarHBondContact O-N 3.49Å; L584-L590 HydrophobicContact CD2-CD2 4.23Å; L584-L590 WeakPolarHBondContact O-CB 3.41Å; L584-L590 PolarHBondContact O-N 3.31Å; L584-A595 HydrophobicContact CB-CB 3.82Å; L584-A595 HydrophobicContact CD1-CB 4.16Å; L584-R599 HydrophobicContact CD1-CG 3.65Å
585L95Very high93.1Very high61 Ų6159.8 Ų59.832%0.31934%0.339SS..Hα-helixtrans-71-40.1179.7-69173.4000113.2E581 E582 H583 G589 L590 L592 A595E581-L585 HydrophobicContact CG-CD1 4.1Å; E581-L585 WeakPolarHBondContact O-CB 3.39Å; E581-L585 WeakPolarHBondContact O-CG 3.43Å; E581-L585 PolarHBondContact O-N 3.13Å; E582-L585 PolarHBondContact O-N 3.48Å; H583-L585 PolarHBondContact O-N 2.91Å; L585-G589 WeakPolarHBondContact O-CA 3.48Å; L585-L590 VanDerWaalsContact CD2-O 3.3Å; L585-L590 WeakPolarHBondContact CD2-O 3.37Å; L585-L592 HydrophobicContact CD1-CD1 4.23Å; L585-L592 HydrophobicContact CD2-CB 4.21Å; L585-L592 HydrophobicContact CD2-CD1 4.35Å; L585-A595 HydrophobicContact CD2-CB 4.24Å
586T91.4Very high93.2Very high100 Ų10060.9 Ų60.961%0.61334%0.343SS*.Hα-helixtrans-102.6-42.9-164.6-45.60000112.8E582 H583E582-T586 WeakPolarHBondContact O-CA 3.48Å; E582-T586 WeakPolarHBondContact O-CB 3.49Å; E582-T586 PolarHBondContact O-N 3.03Å; E582-T586 PolarHBondContact O-OG1 3.41Å; H583-T586 PolarHBondContact O-N 3.24Å
587N90.8Very high93.1Very high100 Ų10064 Ų6454%0.53536%0.356SS..THydrogen-bonded Turntrans-88.2-38.4-178.1-6268.3000111.5H583H583-N587 WeakPolarHBondContact O-CA 3.38Å; H583-N587 WeakPolarHBondContact O-CB 3.43Å; H583-N587 PolarHBondContact O-N 3.41Å
588M92.3Very high93.2Very high13 Ų1360.2 Ų60.26%0.06433%0.331CS..SBendtrans-97-9.8177.7-61-162.6-14800114.2V565 F566 Q569 I571 L579 H583 L584 L590V565-M588 HydrophobicContact CG1-CB 3.79Å; V565-M588 HydrophobicContact CG1-CG 4.03Å; V565-M588 HydrophobicContact CG1-SD 4.29Å; F566-M588 HydrophobicContact CD2-SD 3.99Å; F566-M588 HydrophobicContact CE2-SD 3.73Å; F566-M588 HydrophobicContact CG-SD 4.5Å; F566-M588 HydrophobicContact CZ-CE 4.43Å; F566-M588 HydrophobicContact CZ-SD 4.01Å; Q569-M588 HydrophobicContact CG-CG 4.27Å; I571-M588 HydrophobicContact CD1-CE 3.67Å; I571-M588 HydrophobicContact CG1-CE 3.76Å; L579-M588 HydrophobicContact CD1-CE 3.56Å; L579-M588 HydrophobicContact CD2-CE 3.82Å; L579-M588 HydrophobicContact CG-CE 4.33Å; H583-M588 PolarHBondContact O-N 3.12Å; H583-M588 VanDerWaalsContact O-N 3.16Å; L584-M588 HydrophobicContact CD2-CE 4.09Å; L584-M588 HydrophobicContact CD2-SD 4.14Å; M588-L590 VanDerWaalsContact C-N 3.3Å; M588-L590 HydrophobicContact CB-CD1 3.52Å; M588-L590 PolarHBondContact O-N 2.93Å
589G91.9Very high93Very high53 Ų5359.5 Ų59.555%0.54632%0.319SS..  trans68.521.4176.900000115.1L584 L585L584-G589 PolarHBondContact O-N 3.49Å; L585-G589 WeakPolarHBondContact O-CA 3.48Å
590L94.6Very high92.6Very high8 Ų862.6 Ų62.64%0.04235%0.347CS..  trans-66152177.5-87.368.8000111.3Y562 F566 L584 L585 M588 P594 A595 I598Y562-L590 HydrophobicContact CD1-CD1 3.61Å; Y562-L590 HydrophobicContact CD1-CG 3.58Å; Y562-L590 HydrophobicContact CD2-CD2 4.45Å; Y562-L590 HydrophobicContact CD2-CG 4.16Å; Y562-L590 HydrophobicContact CE1-CB 4.43Å; Y562-L590 HydrophobicContact CE1-CD1 4.24Å; Y562-L590 HydrophobicContact CE1-CG 3.88Å; Y562-L590 HydrophobicContact CE2-CG 4.45Å; Y562-L590 HydrophobicContact CG-CD1 3.95Å; Y562-L590 HydrophobicContact CG-CD2 4.24Å; Y562-L590 HydrophobicContact CG-CG 3.72Å; F566-L590 HydrophobicContact CE2-CD1 4.38Å; F566-L590 HydrophobicContact CE2-CD2 4.24Å; L584-L590 HydrophobicContact CD2-CD2 4.23Å; L584-L590 WeakPolarHBondContact O-CB 3.41Å; L584-L590 PolarHBondContact O-N 3.31Å; L585-L590 VanDerWaalsContact CD2-O 3.3Å; L585-L590 WeakPolarHBondContact CD2-O 3.37Å; M588-L590 VanDerWaalsContact C-N 3.3Å; M588-L590 HydrophobicContact CB-CD1 3.52Å; M588-L590 PolarHBondContact O-N 2.93Å; L590-P594 HydrophobicContact CD2-CB 4.15Å; L590-P594 HydrophobicContact CG-CB 4.49Å; L590-A595 HydrophobicContact CB-CB 4.18Å; L590-A595 HydrophobicContact CD2-CB 4.41Å; L590-I598 HydrophobicContact CD2-CD1 3.58Å
591K95.6Very high91.8Very high127 Ų12763.8 Ų63.855%0.55235%0.347SS*.  trans-75.4152.1165.2-59159.4-161.6140.60108.7E561 Y562 G593 P594 A595E561-K591 IonicContact OE1-NZ 2.72Å; E561-K591 PolarHBondContact OE1-NZ 2.93Å; Y562-K591 VanDerWaalsContact OH-CD 3.3Å; Y562-K591 WeakPolarHBondContact OH-CD 3.46Å; Y562-K591 VanDerWaalsContact OH-CE 3.3Å; Y562-K591 WeakPolarHBondContact OH-CE 3.46Å; Y562-K591 PolarHBondContact OH-NZ 3.17Å; Y562-K591 VanDerWaalsContact OH-NZ 3.13Å; K591-G593 VanDerWaalsContact C-N 3.27Å; K591-G593 PolarHBondContact O-N 3.08Å; K591-P594 HydrophobicContact CB-CG 4.28Å; K591-P594 VanDerWaalsContact O-CD 3.28Å; K591-P594 WeakPolarHBondContact O-CD 3.48Å; K591-A595 PolarHBondContact O-N 3.36Å
592L93.1Very high90.4Very high90 Ų9064.5 Ų64.547%0.47136%0.358SS..Hα-helixtrans-55.4-37.2-178.1-175.963.9000113.8E581 L585 A595 L596E581-L592 HydrophobicContact CG-CD1 4.41Å; E581-L592 WeakPolarHBondContact OE1-CD1 3.41Å; L585-L592 HydrophobicContact CD1-CD1 4.23Å; L585-L592 HydrophobicContact CD2-CB 4.21Å; L585-L592 HydrophobicContact CD2-CD1 4.35Å; L592-A595 PolarHBondContact O-N 3.12Å; L592-L596 HydrophobicContact CD1-CD1 3.89Å; L592-L596 HydrophobicContact CD1-CD2 4.46Å; L592-L596 HydrophobicContact CD1-CG 3.9Å; L592-L596 HydrophobicContact CD2-CD1 4.46Å; L592-L596 HydrophobicContact CG-CD1 3.82Å; L592-L596 HydrophobicContact CG-CG 4.23Å; L592-L596 WeakPolarHBondContact O-CB 3.5Å; L592-L596 VanDerWaalsContact O-CG 3.28Å; L592-L596 WeakPolarHBondContact O-CG 3.44Å; L592-L596 PolarHBondContact O-N 3.45Å
593G93.1Very high88.8Confident42 Ų4258.9 Ų58.943%0.43333%0.333SS..Hα-helixtrans-58.3-62.3176.200000113K591 A595 L596 K597K591-G593 VanDerWaalsContact C-N 3.27Å; K591-G593 PolarHBondContact O-N 3.08Å; G593-A595 PolarHBondContact O-N 3.04Å; G593-L596 PolarHBondContact O-N 3.33Å; G593-K597 WeakPolarHBondContact O-CG 3.49Å; G593-K597 PolarHBondContact O-N 3.24Å
594P93.6Very high87Confident18 Ų1860.5 Ų60.512%0.11735%0.347CS..Hα-helixtrans-51.2-45.6171.4-30.935.2000114.6Y562 L590 K591 L596 K597 I598Y562-P594 HydrophobicContact CD2-CB 3.94Å; Y562-P594 HydrophobicContact CD2-CG 4.32Å; Y562-P594 HydrophobicContact CE2-CB 3.55Å; Y562-P594 HydrophobicContact CE2-CG 3.48Å; Y562-P594 VanDerWaalsContact CE2-CG 3.48Å; L590-P594 HydrophobicContact CD2-CB 4.15Å; L590-P594 HydrophobicContact CG-CB 4.49Å; K591-P594 HydrophobicContact CB-CG 4.28Å; K591-P594 VanDerWaalsContact O-CD 3.28Å; K591-P594 WeakPolarHBondContact O-CD 3.48Å; P594-L596 PolarHBondContact O-N 3.44Å; P594-K597 PolarHBondContact O-N 2.94Å; P594-I598 WeakPolarHBondContact O-CG1 3.37Å; P594-I598 PolarHBondContact O-N 2.95Å
595A94.1Very high84.6Confident0 Ų065.2 Ų65.20%037%0.372CS..Hα-helixtrans-62-41.1179.800000112.5L584 L585 L590 K591 L592 G593 R599L584-A595 HydrophobicContact CB-CB 3.82Å; L584-A595 HydrophobicContact CD1-CB 4.16Å; L585-A595 HydrophobicContact CD2-CB 4.24Å; L590-A595 HydrophobicContact CB-CB 4.18Å; L590-A595 HydrophobicContact CD2-CB 4.41Å; K591-A595 PolarHBondContact O-N 3.36Å; L592-A595 PolarHBondContact O-N 3.12Å; G593-A595 PolarHBondContact O-N 3.04Å; A595-R599 PolarHBondContact O-N 3.41Å
596L93Very high82.1Confident72 Ų7272.9 Ų72.938%0.37740%0.397SS..Hα-helixtrans-71-37174-69.7175.8000112.3E581 L592 G593 P594 I598 R599 A600E581-L596 WeakPolarHBondContact OE2-CD2 3.38Å; L592-L596 HydrophobicContact CD1-CD1 3.89Å; L592-L596 HydrophobicContact CD1-CD2 4.46Å; L592-L596 HydrophobicContact CD1-CG 3.9Å; L592-L596 HydrophobicContact CD2-CD1 4.46Å; L592-L596 HydrophobicContact CG-CD1 3.82Å; L592-L596 HydrophobicContact CG-CG 4.23Å; L592-L596 WeakPolarHBondContact O-CB 3.5Å; L592-L596 VanDerWaalsContact O-CG 3.28Å; L592-L596 WeakPolarHBondContact O-CG 3.44Å; L592-L596 PolarHBondContact O-N 3.45Å; G593-L596 PolarHBondContact O-N 3.33Å; P594-L596 PolarHBondContact O-N 3.44Å; L596-I598 PolarHBondContact O-N 3.44Å; L596-R599 PolarHBondContact O-N 3.37Å; L596-A600 WeakPolarHBondContact O-CB 3.5Å; L596-A600 PolarHBondContact O-N 3.32Å
597K91.9Very high79.3Confident79 Ų7972.1 Ų72.134%0.34340%0.401SS..Hα-helixtrans-58.7-48.1175.3-77.9-173.6179.1-168.70111.9S557 G593 P594 R599 A600 Q601S557-K597 PolarHBondContact O-NZ 2.69Å; S557-K597 PolarHBondContact OG-NZ 2.91Å; G593-K597 WeakPolarHBondContact O-CG 3.49Å; G593-K597 PolarHBondContact O-N 3.24Å; P594-K597 PolarHBondContact O-N 2.94Å; K597-R599 VanDerWaalsContact C-N 3.31Å; K597-R599 PolarHBondContact O-N 3.29Å; K597-A600 PolarHBondContact O-N 3.11Å; K597-Q601 PolarHBondContact O-N 3.2Å; K597-Q601 VanDerWaalsContact O-N 3.14Å
598I91.2Very high76.8Confident8 Ų872.6 Ų72.64%0.04141%0.409CS..Hα-helixtrans-65.9-34.6-177.9-65.9162.4000111.3V553 L556 F566 L576 L590 P594 L596V553-I598 HydrophobicContact CG1-CD1 4.09Å; V553-I598 HydrophobicContact CG2-CD1 4.34Å; V553-I598 HydrophobicContact CG2-CG1 4.39Å; L556-I598 HydrophobicContact CD1-CB 4.38Å; L556-I598 HydrophobicContact CD1-CG1 3.65Å; F566-I598 HydrophobicContact CE1-CG2 4.38Å; F566-I598 HydrophobicContact CE2-CD1 3.99Å; F566-I598 HydrophobicContact CZ-CD1 3.86Å; F566-I598 HydrophobicContact CZ-CG2 4.1Å; L576-I598 HydrophobicContact CD1-CG2 4.11Å; L590-I598 HydrophobicContact CD2-CD1 3.58Å; P594-I598 WeakPolarHBondContact O-CG1 3.37Å; P594-I598 PolarHBondContact O-N 2.95Å; L596-I598 PolarHBondContact O-N 3.44Å
599R89Confident74Confident122 Ų12280.1 Ų80.146%0.4644%0.444SS..Hα-helixtrans-83.5-23.7176.7-74179.858.4-116.73.1115E581 L584 A595 L596 K597E581-R599 IonicContact OE2-CZ 2.67Å; E581-R599 IonicContact OE2-NH1 3.18Å; E581-R599 PolarHBondContact OE2-NH1 3.15Å; L584-R599 HydrophobicContact CD1-CG 3.65Å; A595-R599 PolarHBondContact O-N 3.41Å; L596-R599 PolarHBondContact O-N 3.37Å; K597-R599 VanDerWaalsContact C-N 3.31Å; K597-R599 PolarHBondContact O-N 3.29Å
600A84.9Confident71.3Confident80 Ų8088.8 Ų88.866%0.66146%0.46SS*.Hα-helixtrans-91.5-21.4-176.600000113.6L596 K597 P602L596-A600 WeakPolarHBondContact O-CB 3.5Å; L596-A600 PolarHBondContact O-N 3.32Å; K597-A600 PolarHBondContact O-N 3.11Å; A600-P602 WeakPolarHBondContact O-CD 3.46Å
601Q75.9Confident68.3Low99 Ų9997.6 Ų97.646%0.46350%0.502SS..SBendtrans-89.2114.9168.5-63.4-159.823.300108.9F552 L556 K597F552-Q601 HydrophobicContact CZ-CB 4.18Å; L556-Q601 HydrophobicContact CD2-CB 4.48Å; L556-Q601 HydrophobicContact CD2-CG 4.2Å; L556-Q601 VanDerWaalsContact CD2-OE1 3.22Å; K597-Q601 PolarHBondContact O-N 3.2Å; K597-Q601 VanDerWaalsContact O-N 3.14Å
602P63.9Low65.2Low86 Ų8699.5 Ų99.556%0.55852%0.517SS*.  trans-60.3146.1165.128.5-33.6000108A600 T604A600-P602 WeakPolarHBondContact O-CD 3.46Å; P602-T604 HydrophobicContact CG-CG2 4.49Å; P602-T604 PolarHBondContact O-N 3.28Å; P602-T604 PolarHBondContact O-OG1 3.04Å
603P60.8Low62.2Low24 Ų2498.4 Ų98.416%0.15653%0.527CS..  trans-74.143.5178.9-16.833000113.7V541 W544 F552 L576 L605V541-P603 HydrophobicContact CG1-CB 4.02Å; V541-P603 HydrophobicContact CG1-CG 3.79Å; V541-P603 HydrophobicContact CG2-CB 3.92Å; V541-P603 HydrophobicContact CG2-CG 4.13Å; W544-P603 HydrophobicContact CE3-CB 4.29Å; W544-P603 HydrophobicContact CH2-CB 3.25Å; W544-P603 WeakPolarHBondContact CH2-O 3.44Å; W544-P603 HydrophobicContact CZ2-CB 3.74Å; W544-P603 WeakPolarHBondContact CZ2-O 3.4Å; W544-P603 HydrophobicContact CZ3-CB 3.55Å; F552-P603 HydrophobicContact CE1-CG 4.36Å; F552-P603 HydrophobicContact CE2-CB 4.38Å; F552-P603 HydrophobicContact CZ-CB 4.31Å; F552-P603 HydrophobicContact CZ-CG 4.29Å; L576-P603 HydrophobicContact CD2-CG 3.84Å; P603-L605 PolarHBondContact O-N 2.97Å
604T55Low59.3Low88 Ų88103.4 Ų103.454%0.5455%0.55SS..  trans-70.2111.3164.248.60000108.5P602 R606P602-T604 HydrophobicContact CG-CG2 4.49Å; P602-T604 PolarHBondContact O-N 3.28Å; P602-T604 PolarHBondContact O-OG1 3.04Å; T604-R606 PolarHBondContact O-N 3.14Å
605L45.6Very low56.5Low100 Ų100106 Ų10652%0.52458%0.58SS.*  trans-57.1110.9179.6-67178.2000111.5E539 W544 P603E539-L605 VanDerWaalsContact CD-CD1 3.41Å; E539-L605 HydrophobicContact CG-CD1 4.19Å; E539-L605 WeakPolarHBondContact OE1-CD1 3.43Å; E539-L605 WeakPolarHBondContact OE2-CD1 3.33Å; W544-L605 HydrophobicContact CH2-CD2 3.6Å; W544-L605 HydrophobicContact CH2-CG 4.35Å; W544-L605 HydrophobicContact CZ2-CD2 3.44Å; W544-L605 VanDerWaalsContact CZ2-CD2 3.44Å; W544-L605 HydrophobicContact CZ2-CG 3.76Å; P603-L605 PolarHBondContact O-N 2.97Å
606R42.6Very low53.7Low221 Ų221115.2 Ų115.283%0.83462%0.623SS**  trans-94.2118.9143.6-75.7-168.5174.1-149.5-1.5107.2T604T604-R606 PolarHBondContact O-N 3.14Å
607A33Very low50.9Low84 Ų84120 Ų12069%0.69464%0.643SS**  trans-55.2140.7163.900000108.8E609A607-E609 PolarHBondContact O-N 3.46Å
608P38.7Very low48.1Very low111 Ų111122 Ų12272%0.72166%0.664SS**  trans-68.1106.6179.426.8-33.3000109.7R610P608-R610 PolarHBondContact O-N 3.27Å; P608-R610 VanDerWaalsContact O-N 3.12Å
609E32.8Very low45.3Very low170 Ų170129.5 Ų129.579%0.79470%0.704SS**  trans-56.4117.7165.6-70.6-173.394.300108.2A607 E611A607-E609 PolarHBondContact O-N 3.46Å; E609-E611 PolarHBondContact O-N 3.28Å
610R34.8Very low42.5Very low235 Ų235129 Ų12989%0.88772%0.719SS**  trans-76.896.4-177-76.5-179.7166.9175.4-4.3109.4P608 L612P608-R610 PolarHBondContact O-N 3.27Å; P608-R610 VanDerWaalsContact O-N 3.12Å; R610-L612 PolarHBondContact O-N 3.41Å
611E31.8Very low40.4Very low194 Ų194131.3 Ų131.391%0.90773%0.727SS**  trans-55.881.5162.4-74.5-9096.500110.1E609 G613E609-E611 PolarHBondContact O-N 3.28Å; E611-G613 PolarHBondContact O-N 3.39Å
612L30.7Very low38.2Very low167 Ų167133.1 Ų133.187%0.87475%0.745SS**  trans-82.395.2179.2-171.871.6000109.2R610 T614R610-L612 PolarHBondContact O-N 3.41Å; L612-T614 PolarHBondContact O-N 3.07Å; L612-T614 VanDerWaalsContact O-N 3.14Å
613G29.8Very low36.6Very low67 Ų67135 Ų13569%0.69176%0.755SS**  trans-61.8112-178.800000113.6E611E611-G613 PolarHBondContact O-N 3.39Å
614T31.4Very low35.1Very low147 Ų147138.7 Ų138.790%0.90279%0.788SS**SBendtrans41100.5148.3-48.70000117.5L612L612-T614 PolarHBondContact O-N 3.07Å; L612-T614 VanDerWaalsContact O-N 3.14Å
615G36.5Very low34Very low73 Ų73140.2 Ų140.275%0.75380%0.797SS**  trans-179.535.8172.800000120
616E34.7Very low33.4Very low192 Ų192140.2 Ų140.290%0.89781%0.806SS**  trans179.9155.6155.1-92.7-93.759.800109
617Q33.9Very low33.3Very low172 Ų172135.4 Ų135.480%0.80480%0.803SS**PPolyproline II helixtrans-97.5130.3-175.3-71.9-172.8-106.100113.8
618P33Very low33.3Very low122 Ų122141.8 Ų141.879%0.79281%0.811SS**PPolyproline II helixtrans-86.2125.5159.910.36.6000110.8
619L32.8Very low32.8Very low165 Ų165140.2 Ų140.286%0.86482%0.815SS**PPolyproline II helixtrans-83.3152.8164.9-78.1168.5000111
620S31Very low32.8Very low113 Ų113135.8 Ų135.879%0.7982%0.815SS**PPolyproline II helixtrans-67.5152.3-165.9-52.20000115
621P39.2Very low32.6Very low127 Ų127127.7 Ų127.783%0.82580%0.804SS**PPolyproline II helixtrans-77.5159.1-179.433.1-36.8000113
622T29.3Very low32.7Very low138 Ų138127.8 Ų127.885%0.84780%0.804SS**  trans-133.8135.8164.1-65.40000110.5
623T31.9Very low32.8Very low124 Ų124124.8 Ų124.876%0.76180%0.804SS**  trans-55.1136.5-173.1-34.80000114.2
624A29.6Very low33Very low102 Ų102130.2 Ų130.284%0.84382%0.816SS**  trans-112.4130.1162.200000109.3
625T31.7Very low33.1Very low121 Ų121128 Ų12874%0.74281%0.813SS**  trans-119.9130.1-165.3-55.40000112.7
626S31.5Very low32.8Very low100 Ų100128.1 Ų128.170%0.69981%0.814SS**  trans24.1124.7155.7-159.60000120.7Y628S626-Y628 PolarHBondContact O-N 3.36Å
627P40.9Very low32.6Very low120 Ų120127.6 Ų127.678%0.77981%0.811SS**  trans-78110.8171.632.2-32.8000113.1
628Y32.6Very low32.4Very low218 Ų218125.9 Ų125.986%0.85581%0.813SS**  trans34.5101.2153.3-83-84.8000120.2S626S626-Y628 PolarHBondContact O-N 3.36Å
629G29.2Very low32.3Very low78 Ų78124.8 Ų124.880%0.80481%0.808SS**  -81.5141126.400000109.4
630G31.9Very low32.7Very low77 Ų77123.1 Ų123.179%0.79481%0.807SS**  trans-90.9158.6-17500000114.8
631G31.6Very low32.7Very low65 Ų65126.1 Ų126.167%0.6781%0.806SS**  trans167.4111.8169.300000115.8
632H33.9Very low32.4Very low195 Ų195127.8 Ų127.890%0.90380%0.803SS**  trans52109.3153.8-60.5-83.6000120.4
633A31.5Very low32.4Very low105 Ų105130 Ų13087%0.86880%0.803SS**PPolyproline II helixtrans-83.6151.115900000111.7
634L34.7Very low32.4Very low181 Ų181131.5 Ų131.595%0.94881%0.807SS**PPolyproline II helixtrans-95.7147.7172.5-108.1164.5000111.2
635A34Very low32.7Very low100 Ų100129.5 Ų129.583%0.82680%0.796SS**PPolyproline II helixtrans-89157.1-169.900000114.1
636G29.3Very low32.7Very low76 Ų76131.1 Ų131.178%0.78481%0.806SS**  trans-165.931.1-175.200000118.5
637Q31.9Very low33Very low180 Ų180134.2 Ų134.284%0.84181%0.814SS**  trans30.5131.4163.3-52.7-166.425.500120
638T29Very low32.8Very low137 Ų137132.4 Ų132.484%0.8481%0.809SS**  -164.8170.677.726.80000113
639S30.3Very low32.8Very low99 Ų99129.9 Ų129.969%0.69281%0.809SS**  trans-80.9164.4-173-157.60000113.2
640P41.5Very low33.2Very low130 Ų130133.8 Ų133.884%0.84481%0.811SS**  -129.1-172.685.739.2-31000113.8
641K31.4Very low34Very low175 Ų175136.5 Ų136.576%0.76182%0.815SS**  trans-143.5152.1-172.6-163.5-170.272.1175.20110.7
642Q32.3Very low33.9Very low162 Ų162137 Ų13776%0.75782%0.821SS**  trans76.6123153.7-176.3174.4-6.200119.3
643E30.2Very low34.2Very low184 Ų184132.4 Ų132.486%0.8682%0.816SS**  -162.8164.6120.9-166.7144.5100.500112
644N31.2Very low35.2Very low156 Ų156133.4 Ų133.483%0.83481%0.814SS**  trans-41.5163.6173.5-89.7-26.2000116.9
645G36Very low35.5Very low60 Ų60131.7 Ų131.762%0.61981%0.805SS**  cis113.5112.6-0.200000115.3
646T31.5Very low36.5Very low155 Ų155131.6 Ų131.695%0.95180%0.797SS**  trans177.6169.1159.3-790000110.6
647L38.5Very low36.9Very low166 Ų166132.5 Ų132.587%0.86979%0.791SS**  trans-122.4-178.3-160.8-119.5169.9000114.6
648A36.1Very low37.7Very low81 Ų81132.6 Ų132.667%0.66979%0.791SS**  trans93.9145.4167.800000117.7
649L32.9Very low39.2Very low165 Ų165130.6 Ų130.686%0.86478%0.78SS**  cis-158.5164.9-12-117.8169000110.8
650L37.5Very low39.8Very low160 Ų160133.6 Ų133.684%0.83879%0.788SS**  trans-95.3158.2174.1-61.6173.3000111
651P49.2Very low40.1Very low134 Ų134136.8 Ų136.887%0.8781%0.811SS**  -140178.972.635.2-15.6000113.9
652G30Very low40.5Very low77 Ų77134.9 Ų134.979%0.79481%0.814SS**  cis-176.8173.8-0.500000111.7
653A39.1Very low40.9Very low98 Ų98133.5 Ų133.581%0.8182%0.817SS**  trans-100.6-177.7-178.400000111.3
654P52.7Low41.5Very low126 Ų126130.7 Ų130.782%0.81881%0.814SS**  cis-143-175.825.643.4-22000118.9
655D40.7Very low42.2Very low144 Ų144129.2 Ų129.277%0.7781%0.813SS**  trans-65.6-176.8164-147.435.1000111.5
656P55.9Low42.5Very low99 Ų99133.5 Ų133.564%0.64383%0.825SS**  cis-152.5-169.922.843.2-18.7000120.8
657S37.8Very low43.3Very low95 Ų95132.1 Ų132.166%0.66482%0.817SS**  trans79.6105.9147.450.20000122.7
658Q48.3Very low43.6Very low181 Ų181129.6 Ų129.685%0.84681%0.813SS**  30.7162.4100.6-79.1-161.710.800121.3
659P61.2Low44.2Very low95 Ų95133.4 Ų133.462%0.61782%0.824SS**  cis-143.6-160.4-29.739.1-18.7000113.4
660L42.1Very low45.1Very low163 Ų163130.8 Ų130.885%0.85382%0.821SS**  trans69.7117.3160-67.5162.9000118.9
661C47.2Very low45.8Very low197 Ų197128.1 Ų128.1100%1.33182%0.82SS**  -155.6090.1-148.80000111.7

Retrieved 661 of 661 residues in 203.7 ms (Link to these results)