A0A087YF38_POEFO Loading...

Cyclin-D-binding Myb-like transcription factor 1

AlphaFold DB , UniProt , Accession A0A087YF38, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 569 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
1M33.2Very low32.2Very low250 Ų250143.3 Ų143.3100%1.23288%0.875SS**  0157.40-77.9171.1157.900108.2
2S33.2Very low31.9Very low118 Ų118139.9 Ų139.983%0.82587%0.873SS**  trans-66.2172.7173.3-430000111.1
3S32.3Very low31.7Very low119 Ų119142.7 Ų142.783%0.83288%0.876SS**  cis-147.4162.515.6-166.60000112.4
4A33.5Very low31.5Very low93 Ų93146.8 Ų146.877%0.76988%0.881SS**  trans-85163.817400000112.9
5A33.2Very low31.3Very low103 Ų103144.8 Ų144.885%0.85188%0.876SS**  trans-107.7166.6159.100000109.1
6A34.6Very low31.4Very low101 Ų101144.5 Ų144.584%0.83588%0.875SS**  trans-99.7148.7-170.900000113.7
7E30.8Very low31.6Very low199 Ų199147.1 Ų147.193%0.9387%0.871SS**  trans-118.2156.8161.5-65.9-178.8146.700108
8E30.5Very low31.6Very low197 Ų197145.8 Ų145.892%0.92187%0.868SS**  trans-130.5133.1-173.2-167.7166.9-139.900110
9E30.6Very low31.6Very low182 Ų182142.7 Ų142.785%0.8585%0.85SS**  trans-117.2163-168.6-98.1-90.6112.300111.5
10P33.5Very low31.7Very low108 Ų108140.7 Ų140.770%0.70184%0.839SS**PPolyproline II helixtrans-85.6160.5-154.833.4-37000116.3
11A28.9Very low31.8Very low106 Ų106139.1 Ų139.188%0.87683%0.826SS**PPolyproline II helixtrans-96154.8174.900000113
12A28.4Very low31.9Very low103 Ų103130.7 Ų130.785%0.85179%0.788SS**PPolyproline II helixtrans-99.5166.6-162.800000116.1
13L29.7Very low31.9Very low176 Ų176131 Ų13192%0.92178%0.777SS**PPolyproline II helixtrans-81.7139.2173.2-65.6164000111.6
14E28.9Very low32Very low200 Ų200129.9 Ų129.994%0.93576%0.761SS**PPolyproline II helixtrans-90.3157.2170.6-79.3-159.3124.700113.3
15S28.9Very low32.2Very low117 Ų117130.3 Ų130.382%0.81876%0.759SS**  trans-115.1136.7-174.8-1800000112.2
16V32.7Very low32.5Very low140 Ų140132 Ų13285%0.84875%0.754SS**PPolyproline II helixtrans-103.7143.7176.3-176.40000110.5
17K34Very low32.8Very low188 Ų188129.7 Ų129.782%0.81774%0.739SS**PPolyproline II helixtrans-81.7150.5-172.5-65.1179.3-177.9177.70112.9
18P31.1Very low32.9Very low124 Ų124123.8 Ų123.881%0.80572%0.72SS**PPolyproline II helixtrans-75150.4-177.130.7-36.3000113.8
19V32.8Very low33.2Very low88 Ų88119.9 Ų119.953%0.53370%0.704SS.*PPolyproline II helixtrans-96.3150168.71770000109L31V19-L31 HydrophobicContact CG1-CD2 3.78Å
20T34Very low33.4Very low102 Ų102114.9 Ų114.963%0.62668%0.682SS**  trans-112.6139.9177.7-43.30000110.7
21L33.7Very low33.4Very low108 Ų108115.7 Ų115.757%0.56568%0.68SS**EExtended strand (participates in β ladder)trans-115140.7-179.4-64.6169.4000110I29 L31L21-I29 HydrophobicContact CB-CG2 4.32Å; L21-I29 HydrophobicContact CD2-CG2 3.98Å; L21-L31 HydrophobicContact CD2-CD2 3.52Å; L21-L31 HydrophobicContact CD2-CG 3.63Å
22T33.8Very low33.6Very low72 Ų72116.4 Ų116.444%0.44267%0.665SS.*EExtended strand (participates in β ladder)trans-133158.6172.249.10000110.4I29 I30T22-I29 WeakPolarHBondContact O-CA 3.45Å; T22-I30 PolarHBondContact N-O 3.31Å; T22-I30 PolarHBondContact O-N 3.4Å
23H34.2Very low33.9Very low126 Ų126116.5 Ų116.558%0.58366%0.658SS**EExtended strand (participates in β ladder)trans-128.1129.7-171.7-177.1-66.2000109
24D35.1Very low34.1Very low94 Ų94113.2 Ų113.250%0.50365%0.648SS.*  trans-90.7172.9179.6-155.6-3.4000111.8D26 G27 S28D24-D26 PolarHBondContact O-N 3.13Å; D24-D26 VanDerWaalsContact O-N 3.1Å; D24-G27 PolarHBondContact O-N 3.08Å; D24-S28 PolarHBondContact N-O 3.1Å; D24-S28 VanDerWaalsContact N-O 3.08Å
25S36.6Very low34.3Very low103 Ų103109.3 Ų109.372%0.7264%0.642SS**THydrogen-bonded Turntrans-58.7-27-176.257.70000114.2
26D40.6Very low34.4Very low139 Ų139110.4 Ų110.474%0.74364%0.639SS**THydrogen-bonded Turntrans-100.923.7-167.4-64.816.6000112.6D24 S28D24-D26 PolarHBondContact O-N 3.13Å; D24-D26 VanDerWaalsContact O-N 3.1Å; D26-S28 VanDerWaalsContact C-N 3.34Å; D26-S28 PolarHBondContact O-N 3.4Å
27G40.3Very low34.3Very low51 Ų51112.3 Ų112.353%0.52664%0.638SS.*SBendtrans81.14.8172.200000115.9D24D24-G27 PolarHBondContact O-N 3.08Å
28S33.1Very low34.2Very low75 Ų75112 Ų11252%0.52464%0.637SS.*PPolyproline II helixtrans-94.5133.5-178.7-660000112D24 D26D24-S28 PolarHBondContact N-O 3.1Å; D24-S28 VanDerWaalsContact N-O 3.08Å; D26-S28 VanDerWaalsContact C-N 3.34Å; D26-S28 PolarHBondContact O-N 3.4Å
29I35.4Very low34.3Very low115 Ų115111.6 Ų111.659%0.5963%0.634SS**EExtended strand (participates in β ladder)trans-93.7128.5176.3-57.6174.8000109.1L21 T22L21-I29 HydrophobicContact CB-CG2 4.32Å; L21-I29 HydrophobicContact CD2-CG2 3.98Å; T22-I29 WeakPolarHBondContact O-CA 3.45Å
30I35.2Very low34.1Very low78 Ų78116.8 Ų116.840%0.465%0.65SS.*EExtended strand (participates in β ladder)trans-103.4128.4179.4-58.7-179.8000109.9T22T22-I30 PolarHBondContact N-O 3.31Å; T22-I30 PolarHBondContact O-N 3.4Å
31L34.4Very low33.8Very low124 Ų124117.4 Ų117.465%0.64965%0.653SS**EExtended strand (participates in β ladder)trans-98.6108.4179.4-103.9164.2000110.7V19 L21 C33V19-L31 HydrophobicContact CG1-CD2 3.78Å; L21-L31 HydrophobicContact CD2-CD2 3.52Å; L21-L31 HydrophobicContact CD2-CG 3.63Å; L31-C33 PolarHBondContact O-N 3.48Å
32H32.9Very low33.4Very low121 Ų121118.1 Ų118.156%0.5666%0.662SS**  trans-87.492.1174.1-71.7-71.9000111.1
33C34.6Very low33.1Very low105 Ų105121.2 Ų121.271%0.70968%0.681SS**  trans-94.9127.2172.5-166.20000110.9L31 S35L31-C33 PolarHBondContact O-N 3.48Å; C33-S35 PolarHBondContact O-N 2.88Å
34P33.2Very low32.7Very low108 Ų108119.3 Ų119.370%0.70168%0.682SS**  trans-79.3114-179.630.1-33.3000112.2N36P34-N36 PolarHBondContact O-N 3.19Å
35S32.9Very low32.4Very low117 Ų117123.3 Ų123.382%0.81870%0.696SS**  trans-60.1115.4173.8-58.90000111.8C33 E37C33-S35 PolarHBondContact O-N 2.88Å; S35-E37 VanDerWaalsContact C-N 3.34Å; S35-E37 PolarHBondContact O-N 3.2Å; S35-E37 VanDerWaalsContact O-N 3.13Å
36N31.1Very low32Very low140 Ų140125.1 Ų125.175%0.74970%0.697SS**  trans-89.463.1-175.4-168.419.3000111.9P34P34-N36 PolarHBondContact O-N 3.19Å
37E31Very low31.5Very low180 Ų180126.7 Ų126.784%0.84170%0.7SS**  trans-65.5141.2165-70.7-165.6156.500110.5S35S35-E37 VanDerWaalsContact C-N 3.34Å; S35-E37 PolarHBondContact O-N 3.2Å; S35-E37 VanDerWaalsContact O-N 3.13Å
38K32.1Very low30.9Very low183 Ų183131.8 Ų131.880%0.79671%0.71SS**  trans-131.1141.9165-84.8-173.9176.9175.90111.6
39P33Very low30.7Very low114 Ų114135.5 Ų135.574%0.7472%0.723SS**  trans-97.5161.3-159.137.7-37.9000114.3
40K28.9Very low30.1Very low197 Ų197137.4 Ų137.486%0.85773%0.73SS**  trans-167.796.3131.3-105.1158.6-174.8179.90114.3
41T27.6Very low30.2Very low115 Ų115138.8 Ų138.871%0.70674%0.744SS**  trans41.8116.1132.251.20000121.9
42T26.3Very low29.8Very low123 Ų123139 Ų13976%0.75575%0.745SS**  70.8106.3129.661.20000121.7
43T27.3Very low29.4Very low137 Ų137140.3 Ų140.384%0.8475%0.751SS**  156.5140114.145.70000109.2
44S25.6Very low29Very low86 Ų86143.5 Ų143.560%0.60175%0.753SS**  cis-176.5158-946.30000109.3
45F28.5Very low28.6Very low178 Ų178148 Ų14878%0.78176%0.762SS**  trans71.4120-178.9-61.3-84.8000113.4
46D28Very low28.2Very low141 Ų141149.1 Ų149.175%0.75476%0.764SS**  70.9133.982-65-33.4000112.1
47E30.5Very low27.8Very low173 Ų173152.2 Ų152.281%0.80877%0.765SS**  cis-153.7168.327-132.7169.5178.400113.5
48E28.1Very low27.4Very low158 Ų158149.8 Ų149.874%0.73876%0.762SS**  trans55.2113.7155.2-63.4-146.3118.600125.9
49L28.9Very low27Very low152 Ų152144.5 Ų144.580%0.79675%0.749SS**  86119.3124.3-64.2175.5000124.8
50E22.7Very low26.7Very low155 Ų155144.3 Ų144.372%0.72475%0.745SS**  trans-85.8-172.9154.6-121.6-155-159.100110.5L52E50-L52 WeakPolarHBondContact OE2-CD1 3.49Å
51P36.6Very low26.8Very low108 Ų108142.2 Ų142.270%0.70174%0.738SS**  cis-139.5-178.214.333.5-8.7000118.3
52L25.5Very low26.8Very low127 Ų127143.9 Ų143.967%0.66574%0.738SS**  trans-45159.9172.3-47.791.3000118.5E50E50-L52 WeakPolarHBondContact OE2-CD1 3.49Å
53Q25.6Very low26.8Very low149 Ų149144.2 Ų144.270%0.69674%0.735SS**  170.5140.4109-91.6176.14700119.1
54K24.9Very low26.7Very low173 Ų173144.6 Ų144.675%0.75273%0.731SS**  trans68.1118.9138.6-68.4169.3-178.7159.10125.3
55K26.1Very low26.8Very low201 Ų201149.4 Ų149.487%0.87474%0.744SS**  trans4.6151.4132.9-62.3179.7174.7-179.20121.9
56T23.9Very low26.6Very low142 Ų142147.2 Ų147.287%0.87175%0.746SS**  trans146.4150.2141.6-70.50000110.6
57R22.9Very low27.2Very low205 Ų205145.5 Ų145.577%0.77474%0.742SS**  cis-171.5176.7-30.4173.8168.4170.2177.2-1.8106.7
58V22.6Very low26.9Very low128 Ų128146.3 Ų146.378%0.77675%0.746SS**  trans126.1125.3148.7174.10000112.2
59S23.6Very low26.7Very low73 Ų73148 Ų14851%0.5175%0.752SS.*  cis92.8126.215.6-54.20000115.7
60T27.5Very low26.5Very low109 Ų109146 Ų14667%0.66975%0.75SS**  cis-162.7-171.5-13.4-21.50000108.4
61E29.2Very low26.6Very low153 Ų153143.9 Ų143.972%0.71575%0.748SS**  trans73.2147.3144.7-81.2151.6-120.200120.1
62E29.5Very low26Very low150 Ų150145.5 Ų145.570%0.70175%0.749SS**  cis-163.2-175.2-14.6-138.5-177.6-162.700113
63N24.5Very low26Very low130 Ų130145.2 Ų145.270%0.69575%0.753SS**  trans73.4138170.8-62.6-63.8000117.9
64L27.1Very low26Very low145 Ų145145.3 Ų145.376%0.75976%0.758SS**  cis124.6116.8-0.4-87.3177.5000110.9
65E25.8Very low25.9Very low187 Ų187145.3 Ų145.387%0.87476%0.758SS**  -177.3158.4125-102.8179.6-171.300112.2
66T25.8Very low25.8Very low132 Ų132144.1 Ų144.181%0.8176%0.76SS**  trans-154-172.8-178.762.60000107.6
67P39.6Very low25.8Very low105 Ų105145 Ų14568%0.68275%0.752SS**  cis-138.7-178.3-2.943.4-26.7000115.5
68Q25.6Very low25.9Very low191 Ų191140.3 Ų140.389%0.89375%0.751SS**  trans-162.4157.1131.1-112.8175.59.600113.2
69F23.8Very low25.9Very low194 Ų194141 Ų14185%0.85175%0.75SS**  trans-78.6162.2177.9-72.1-120.5000110
70S23.8Very low25.9Very low108 Ų108144.9 Ų144.976%0.75576%0.764SS**  cis-163177.427.480.60000109.5
71V24.2Very low25.7Very low112 Ų112146.2 Ų146.268%0.67977%0.771SS**  cis-165.4158.1-13.6117.50000110.6
72I24.2Very low25.4Very low142 Ų142144.2 Ų144.273%0.72877%0.774SS**  trans-0.5131.3153.9-42.1162.9000116.8
73T25.5Very low25.3Very low121 Ų121145.5 Ų145.574%0.74278%0.78SS**  cis-136.5170.235.748.80000112.5
74N26.1Very low25.4Very low151 Ų151146.1 Ų146.181%0.80778%0.784SS**  cis-147.7160.3-9.2-118.90.5000110.3
75F23.4Very low25.3Very low173 Ų173147 Ų14776%0.75979%0.789SS**  trans-76.7144.1178.3-114.2-123.3000113.2F77F75-F77 HydrophobicContact CD1-CD2 4.23Å; F75-F77 AromaticContact CE1-CD2 3.61Å; F75-F77 HydrophobicContact CE1-CD2 3.61Å; F75-F77 HydrophobicContact CE1-CE2 4.12Å; F75-F77 HydrophobicContact CZ-CD2 4.36Å
76L22.7Very low26.1Very low175 Ų175146.6 Ų146.692%0.91679%0.787SS**  -147.1142.4124.1-163.561.3000109.7
77F24.5Very low26Very low160 Ų160145.9 Ų145.970%0.70279%0.788SS**  trans-92.9154.4-169.3-144.7-110000111.8F75F75-F77 HydrophobicContact CD1-CD2 4.23Å; F75-F77 AromaticContact CE1-CD2 3.61Å; F75-F77 HydrophobicContact CE1-CD2 3.61Å; F75-F77 HydrophobicContact CE1-CE2 4.12Å; F75-F77 HydrophobicContact CZ-CD2 4.36Å
78S25.2Very low25.4Very low107 Ų107150.7 Ų150.775%0.74880%0.798SS**  trans-134.2125.8175.2176.50000109.6
79L23.1Very low25.4Very low144 Ų144150 Ų15075%0.75480%0.795SS**  trans-158116.5162.9-142.480.3000114
80L22.7Very low25.5Very low154 Ų154146.3 Ų146.381%0.80679%0.788SS**  trans14.8115.3143.9-62.1162.2000121.2
81V23.1Very low25.6Very low136 Ų136146.4 Ų146.482%0.82479%0.785SS**  trans-142.2121.9134.3-1790000104.4
82S24Very low25.6Very low111 Ų111149.4 Ų149.478%0.77679%0.793SS**  75.6150.368.3-140.20000114.4
83E26Very low25.9Very low177 Ų177148.6 Ų148.683%0.82780%0.795SS**  trans-82.6150.3-155-64.2171.310800116.7
84N27.1Very low25.9Very low143 Ų143147.7 Ų147.777%0.76580%0.8SS**  trans41.5119.6154.7-62.53.7000121.2
85D25.7Very low26.1Very low163 Ų163147.2 Ų147.287%0.87280%0.803SS**  -156.2166.392.7-112.5-18.8000111.6
86E41.3Very low26.5Very low179 Ų179143.7 Ų143.784%0.83681%0.806SS**  trans-76121.8-177.6-74.6-169.9123.200112.9
87S24.2Very low26.9Very low117 Ų117145.1 Ų145.182%0.81881%0.808SS**  trans-142.9144.5156.869.60000111.7
88F28.3Very low27.2Very low207 Ų207141.4 Ų141.491%0.90881%0.814SS**  trans-83.3126.8179.8-117.6-110.9000109.7V90F88-V90 HydrophobicContact CD1-CG2 4.32Å
89E24.3Very low27.5Very low175 Ų175143.6 Ų143.682%0.81882%0.817SS**  trans-108.9121.1168.4-169.8171.4-15800110.3
90V26.4Very low27.8Very low117 Ų117144.1 Ų144.171%0.70982%0.82SS**  trans-109.9100.4177.71780000108.5F88 M92F88-V90 HydrophobicContact CD1-CG2 4.32Å; V90-M92 HydrophobicContact CG1-CG 4.49Å; V90-M92 PolarHBondContact O-N 3.15Å
91T24.9Very low28.3Very low111 Ų111142.7 Ų142.768%0.68182%0.82SS**  trans-89102.2178.9-410000110.8
92M25.3Very low29.2Very low174 Ų174145.1 Ų145.186%0.85782%0.822SS**  trans-88.5121167.3-67.9-164.176.100110.8V90V90-M92 HydrophobicContact CG1-CG 4.49Å; V90-M92 PolarHBondContact O-N 3.15Å
93T29.4Very low30Very low125 Ų125147.7 Ų147.777%0.76783%0.827SS**  trans-101.8102.1171.553.10000110.3
94A26.4Very low30.2Very low102 Ų102142.3 Ų142.384%0.84382%0.819SS**  trans-84.9124.7170.100000110.6
95T30.1Very low30.6Very low142 Ų142142.3 Ų142.387%0.87182%0.824SS**  trans-114.4114.6166.151.80000108.5
96A32.1Very low30.6Very low99 Ų99140.4 Ų140.482%0.81882%0.819SS**  trans-130117.9-179.900000110.7
97E32.1Very low29.9Very low205 Ų205140.8 Ų140.896%0.95882%0.821SS**  trans-122.6128.9153.2-72.8-167.5152.800106.7
98G30Very low30.1Very low81 Ų81141.9 Ų141.984%0.83582%0.816SS**  trans150.1122.5-177.800000112.2
99D31.1Very low29.9Very low154 Ų154140.2 Ų140.282%0.82481%0.811SS**  trans-88.4132.9-176.4-87.9-46.7000113.5
100L29.2Very low30Very low155 Ų155138.8 Ų138.881%0.81281%0.807SS**  trans65.7163.6150.5-60.5171.5000118.2
101P34.2Very low29.9Very low123 Ų123140.2 Ų140.280%0.79981%0.81SS**  cis-116.7-168.4-1.742.6-30.2000113.9
102E42.6Very low30.1Very low187 Ų187143.4 Ų143.487%0.87482%0.817SS**  trans-75.8162.8177.7-65.2-176.5122.700114.8
103D40.6Very low30.3Very low165 Ų165144 Ų14488%0.88282%0.818SS**  trans66.797.2164.7-149.719.7000118
104G29.2Very low30.2Very low64 Ų64145.4 Ų145.466%0.6682%0.82SS**  trans-173.3103.9174.400000111.4T106G104-T106 PolarHBondContact O-N 3.01Å
105V35.3Very low30.6Very low143 Ų143150.2 Ų150.287%0.86782%0.822SS**  trans-73.4119.6177.4178.70000109.8
106T26.3Very low30.8Very low123 Ų123151 Ų15176%0.75582%0.816SS**  trans-102114.7170.643.50000110.7G104G104-T106 PolarHBondContact O-N 3.01Å
107E26.7Very low30.9Very low188 Ų188155.1 Ų155.188%0.87982%0.818SS**  trans-75.6125.6175.8-172.1165.4-151.200109.8
108I27Very low31.1Very low140 Ų140154.6 Ų154.672%0.71881%0.813SS**  trans-10299.1-178.4-57.5177.9000108.8I110I108-I110 HydrophobicContact CG2-CG1 4.39Å; I108-I110 PolarHBondContact O-N 3.41Å; I108-I110 VanDerWaalsContact O-N 3.1Å
109E24.2Very low31.8Very low172 Ų172153.6 Ų153.680%0.80480%0.797SS**  trans-65.4106.1165.5-76.4-167117.300109.9L111E109-L111 VanDerWaalsContact C-N 3.33Å; E109-L111 PolarHBondContact O-N 3.1Å
110I26.6Very low32.7Very low145 Ų145154.5 Ų154.574%0.74480%0.796SS**  trans-7789169.4-56.4178000107.9I108 H112I108-I110 HydrophobicContact CG2-CG1 4.39Å; I108-I110 PolarHBondContact O-N 3.41Å; I108-I110 VanDerWaalsContact O-N 3.1Å; I110-H112 PolarHBondContact O-N 3.39Å
111L25Very low34Very low147 Ų147150 Ų15077%0.7778%0.775SS**  trans-58118.8165.9-72.4171.5000109E109 E113E109-L111 VanDerWaalsContact C-N 3.33Å; E109-L111 PolarHBondContact O-N 3.1Å; L111-E113 PolarHBondContact O-N 3.49Å; L111-E113 VanDerWaalsContact O-N 3.15Å
112H29.7Very low35.3Very low177 Ų177144.7 Ų144.782%0.81974%0.741SS**  trans-67.9108.1167-91.481.6000108.5I110 D114I110-H112 PolarHBondContact O-N 3.39Å; H112-D114 PolarHBondContact O-N 3.45Å
113E28.3Very low36.1Very low187 Ų187139.2 Ų139.287%0.87472%0.721SS**  trans-67.2123.9157.1-70-163.514000108.3L111L111-E113 PolarHBondContact O-N 3.49Å; L111-E113 VanDerWaalsContact O-N 3.15Å
114D28.6Very low37.2Very low154 Ų154131.4 Ų131.482%0.82468%0.679SS**  trans-60146-179.9-89-52.3000111.7H112 E116H112-D114 PolarHBondContact O-N 3.45Å; D114-E116 VanDerWaalsContact C-N 3.33Å; D114-E116 PolarHBondContact O-N 3.27Å
115K33.6Very low39Very low203 Ų203128.5 Ų128.588%0.88365%0.649SS**  trans-67.485.8179-71.5176.4177.8171.10111.3Q117K115-Q117 PolarHBondContact O-N 2.8Å
116E35Very low40.5Very low160 Ų160126.7 Ų126.775%0.74863%0.631SS**  trans-52.6129.6157.4-82.4-148.7135.400108.3D114 K118D114-E116 VanDerWaalsContact C-N 3.33Å; D114-E116 PolarHBondContact O-N 3.27Å; E116-K118 PolarHBondContact O-N 3.25Å
117Q34Very low42.5Very low184 Ų184122.7 Ų122.786%0.8661%0.611SS**  trans-65.1124.1-170.3-66.2162.5-3.700109.4K115 A119K115-Q117 PolarHBondContact O-N 2.8Å; Q117-A119 PolarHBondContact O-N 2.7Å
118K36.9Very low44.7Very low194 Ų194118 Ų11884%0.84359%0.585SS**  trans-64.875.4179.5-171.5179.1179.8-1790110.3E116 E120E116-K118 PolarHBondContact O-N 3.25Å; K118-E120 PolarHBondContact O-N 3.21Å
119A44.1Very low46.8Very low60 Ų60118.3 Ų118.350%0.49658%0.581SS.*  trans-61.3118.2-176.100000109.8Q117 V121Q117-A119 PolarHBondContact O-N 2.7Å; A119-V121 PolarHBondContact O-N 3.29Å; A119-V121 VanDerWaalsContact O-N 3.09Å
120E49.6Very low49Very low174 Ų174112 Ų11281%0.81356%0.555SS**  trans-58.4114.5-173-167-177.9167.400110.8K118 S122K118-E120 PolarHBondContact O-N 3.21Å; E120-S122 PolarHBondContact O-N 3.09Å
121V56.7Low51.2Low59 Ų59108.2 Ų108.236%0.35854%0.538SS..  trans-78.3114.8-176.9-168.30000108.6A119 L195A119-V121 PolarHBondContact O-N 3.29Å; A119-V121 VanDerWaalsContact O-N 3.09Å; V121-L195 HydrophobicContact CB-CD2 4.47Å; V121-L195 HydrophobicContact CG1-CD2 4.06Å; V121-L195 HydrophobicContact CG2-CD2 3.78Å
122S61.9Low53.4Low12 Ų12107.6 Ų107.68%0.08453%0.53CS..  trans-50.6128.5177.7177.70000110.5E120 V124 S125 L197E120-S122 PolarHBondContact O-N 3.09Å; S122-V124 PolarHBondContact O-N 2.77Å; S122-V124 PolarHBondContact OG-N 3.05Å; S122-S125 PolarHBondContact O-N 2.79Å; S122-S125 VanDerWaalsContact O-N 3.07Å; S122-S125 PolarHBondContact O-OG 3.33Å; S122-S125 VanDerWaalsContact O-OG 3.08Å; S122-L197 WeakPolarHBondContact CB-O 3.5Å
123P59.1Low55.3Low72 Ų72104.7 Ų104.747%0.46852%0.516SS..THydrogen-bonded Turntrans-54.3-23176.8-28.535.8000113.7L138P123-L138 HydrophobicContact CB-CD2 4.02Å
124V63.6Low57.3Low1 Ų199.1 Ų99.11%0.00649%0.493CS..THydrogen-bonded Turntrans-85.9-20.4-174.4-157.70000112.7S122 T130 L138 H143 W145 P200S122-V124 PolarHBondContact O-N 2.77Å; S122-V124 PolarHBondContact OG-N 3.05Å; V124-T130 HydrophobicContact CG1-CG2 3.75Å; V124-L138 HydrophobicContact CG2-CD1 4.27Å; V124-H143 WeakPolarHBondContact CG2-NE2 3.27Å; V124-W145 HydrophobicContact CG1-CB 4.45Å; V124-W145 HydrophobicContact CG1-CD2 3.89Å; V124-W145 HydrophobicContact CG1-CE3 4.03Å; V124-W145 HydrophobicContact CG1-CG 4.12Å; V124-W145 HydrophobicContact CG1-CZ3 4.41Å; V124-W145 HydrophobicContact CG2-CB 3.98Å; V124-W145 HydrophobicContact CG2-CD2 4.19Å; V124-W145 HydrophobicContact CG2-CE3 3.82Å; V124-W145 HydrophobicContact CG2-CG 4.33Å; V124-W145 HydrophobicContact CG2-CZ3 4.49Å; V124-P200 HydrophobicContact CG1-CB 4.09Å; V124-P200 HydrophobicContact CG1-CG 3.63Å; V124-P200 WeakPolarHBondContact O-CA 3.32Å
125S66.4Low59.3Low3 Ų396.7 Ų96.72%0.02147%0.474CS..THydrogen-bonded Turntrans-89.6-6.6-179.261.90000114.3S122S122-S125 PolarHBondContact O-N 2.79Å; S122-S125 VanDerWaalsContact O-N 3.07Å; S122-S125 PolarHBondContact O-OG 3.33Å; S122-S125 VanDerWaalsContact O-OG 3.08Å
126Q67.1Low61Low105 Ų10590 Ų9049%0.49145%0.448SS..SBendtrans-69.3-40.4178.4-65-68.44.300113.2
127A69.3Low62.8Low39 Ų3985.7 Ų85.732%0.32243%0.433SS..SBendtrans-100.2140.3-176.100000112.3F129 L201A127-F129 VanDerWaalsContact C-N 3.28Å; A127-F129 PolarHBondContact O-N 3.35Å; A127-L201 VanDerWaalsContact O-CB 3.29Å; A127-L201 WeakPolarHBondContact O-CB 3.24Å
128W72.1Confident64.6Low91 Ų9178.1 Ų78.135%0.34540%0.399SS..SBendtrans-62.2-37.4171.9-84.292.9000112.2Y190 L201 F202 Y205W128-Y190 AromaticContact CH2-CD2 3.8Å; W128-Y190 HydrophobicContact CH2-CD2 3.8Å; W128-Y190 HydrophobicContact CH2-CE2 4.4Å; W128-Y190 HydrophobicContact CH2-CG 4.11Å; W128-Y190 HydrophobicContact CZ2-CD2 4.12Å; W128-L201 HydrophobicContact CD2-CD2 3.86Å; W128-L201 HydrophobicContact CD2-CG 4.33Å; W128-L201 HydrophobicContact CG-CD2 3.89Å; W128-L201 HydrophobicContact CZ2-CD2 4.42Å; W128-F202 WeakPolarHBondContact O-CB 3.5Å; W128-Y205 AromaticContact CH2-CD2 3.87Å; W128-Y205 HydrophobicContact CH2-CD2 3.87Å; W128-Y205 HydrophobicContact CH2-CE2 4.41Å; W128-Y205 HydrophobicContact CH2-CG 4.24Å; W128-Y205 HydrophobicContact CZ3-CD1 4.3Å; W128-Y205 AromaticContact CZ3-CD2 3.85Å; W128-Y205 HydrophobicContact CZ3-CD2 3.85Å; W128-Y205 HydrophobicContact CZ3-CE2 4.44Å; W128-Y205 AromaticContact CZ3-CG 3.77Å; W128-Y205 HydrophobicContact CZ3-CG 3.77Å
129F70.2Confident66.3Low146 Ų14671.8 Ų71.864%0.6438%0.382SS*.SBendtrans-130.7119173.6-57.5-82.1000108.3A127 F202A127-F129 VanDerWaalsContact C-N 3.28Å; A127-F129 PolarHBondContact O-N 3.35Å; F129-F202 HydrophobicContact CD1-CD1 4.32Å; F129-F202 AromaticContact CE1-CD1 3.82Å; F129-F202 HydrophobicContact CE1-CD1 3.82Å; F129-F202 AromaticContact CE1-CE1 3.83Å; F129-F202 HydrophobicContact CE1-CE1 3.83Å; F129-F202 HydrophobicContact CE1-CG 4.2Å; F129-F202 HydrophobicContact CE1-CZ 4.25Å
130T71.6Confident67.6Low39 Ų3975.8 Ų75.824%0.23940%0.395CS..  trans-67.9125.3158.244.30000108.3V124 W145V124-T130 HydrophobicContact CG1-CG2 3.75Å; T130-W145 HydrophobicContact CG2-CH2 4.45Å
131T72.8Confident68.7Low66 Ų6675.4 Ų75.441%0.40539%0.391SS..  trans-67.1173.8170.565.30000110.7E133 D134 K135T131-E133 WeakPolarHBondContact CB-OE2 3.41Å; T131-E133 PolarHBondContact OG1-N 3.27Å; T131-D134 WeakPolarHBondContact CB-OD2 3.39Å; T131-D134 WeakPolarHBondContact CG2-OD2 3.4Å; T131-D134 PolarHBondContact N-OD2 3.27Å; T131-D134 PolarHBondContact OG1-N 3.02Å; T131-D134 PolarHBondContact OG1-OD2 3.02Å; T131-K135 WeakPolarHBondContact O-CB 3.41Å; T131-K135 PolarHBondContact O-N 2.91Å; T131-K135 VanDerWaalsContact O-N 3.15Å
132K71.9Confident69.3Low134 Ų13475.3 Ų75.358%0.58340%0.402SS*.Hα-helixtrans-68.8-33.9172.8-174.7-157.7167.2-1280109.6K135 D136K132-K135 WeakPolarHBondContact O-CB 3.47Å; K132-K135 PolarHBondContact O-N 3.39Å; K132-D136 VanDerWaalsContact CE-OD2 3.24Å; K132-D136 WeakPolarHBondContact CE-OD2 3.41Å; K132-D136 IonicContact NZ-OD2 2.7Å; K132-D136 PolarHBondContact NZ-OD2 3.39Å; K132-D136 WeakPolarHBondContact O-CB 3.25Å; K132-D136 PolarHBondContact O-N 2.96Å
133E68.8Low69.8Low116 Ų11677.3 Ų77.354%0.54241%0.41SS..Hα-helixtrans-69.6-43.7-178.2-62.959.6-135.300110.4T131 K135 T137T131-E133 WeakPolarHBondContact CB-OE2 3.41Å; T131-E133 PolarHBondContact OG1-N 3.27Å; E133-K135 VanDerWaalsContact C-N 3.33Å; E133-K135 PolarHBondContact O-N 3.35Å; E133-T137 VanDerWaalsContact O-CB 3.22Å; E133-T137 WeakPolarHBondContact O-CB 3.33Å; E133-T137 PolarHBondContact O-N 3.21Å; E133-T137 PolarHBondContact O-OG1 3.08Å
134D69.9Low70.1Confident70 Ų7082.2 Ų82.237%0.37442%0.419SS..Hα-helixtrans-59.9-44.2169.6-60.6-47.2000111.1T131 T137 L138T131-D134 WeakPolarHBondContact CB-OD2 3.39Å; T131-D134 WeakPolarHBondContact CG2-OD2 3.4Å; T131-D134 PolarHBondContact N-OD2 3.27Å; T131-D134 PolarHBondContact OG1-N 3.02Å; T131-D134 PolarHBondContact OG1-OD2 3.02Å; D134-T137 PolarHBondContact O-N 3.25Å; D134-L138 VanDerWaalsContact O-CB 3.3Å; D134-L138 WeakPolarHBondContact O-CB 3.31Å; D134-L138 VanDerWaalsContact O-CG 3.28Å; D134-L138 WeakPolarHBondContact O-CG 3.34Å; D134-L138 PolarHBondContact O-N 3.07Å
135K70.3Confident70.6Confident102 Ų10283.8 Ų83.844%0.44343%0.425SS..Hα-helixtrans-62.5-49.5-179.3173.5179.9173.7-163.30111.6T131 K132 E133 T137 L138 A139 W145T131-K135 WeakPolarHBondContact O-CB 3.41Å; T131-K135 PolarHBondContact O-N 2.91Å; T131-K135 VanDerWaalsContact O-N 3.15Å; K132-K135 WeakPolarHBondContact O-CB 3.47Å; K132-K135 PolarHBondContact O-N 3.39Å; E133-K135 VanDerWaalsContact C-N 3.33Å; E133-K135 PolarHBondContact O-N 3.35Å; K135-T137 VanDerWaalsContact C-N 3.31Å; K135-L138 PolarHBondContact O-N 3.21Å; K135-A139 VanDerWaalsContact O-CB 3.3Å; K135-A139 WeakPolarHBondContact O-CB 3.46Å; K135-A139 PolarHBondContact O-N 3.18Å; K135-W145 HydrophobicContact CB-CH2 3.66Å; K135-W145 HydrophobicContact CB-CZ2 4.47Å; K135-W145 HydrophobicContact CB-CZ3 4.49Å; K135-W145 HydrophobicContact CD-CH2 4.29Å; K135-W145 HydrophobicContact CD-CZ2 4.4Å; K135-W145 HydrophobicContact CG-CH2 3.56Å; K135-W145 HydrophobicContact CG-CZ2 4.13Å; K135-W145 HydrophobicContact CG-CZ3 4.37Å
136D69.9Low71Confident62 Ų6287 Ų8733%0.33244%0.439SS..Hα-helixtrans-68.2-35.9-178.8-64.9-12.2000109.3K132 A139 N140K132-D136 VanDerWaalsContact CE-OD2 3.24Å; K132-D136 WeakPolarHBondContact CE-OD2 3.41Å; K132-D136 IonicContact NZ-OD2 2.7Å; K132-D136 PolarHBondContact NZ-OD2 3.39Å; K132-D136 WeakPolarHBondContact O-CB 3.25Å; K132-D136 PolarHBondContact O-N 2.96Å; D136-A139 PolarHBondContact O-N 3.28Å; D136-N140 WeakPolarHBondContact O-CB 3.22Å; D136-N140 PolarHBondContact O-N 3.4Å; D136-N140 PolarHBondContact O-ND2 3.45Å
137T73.1Confident71.4Confident70 Ų7088 Ų8843%0.42944%0.444SS..Hα-helixtrans-64.7-45.8173-58.80000113E133 D134 K135 N140 K141E133-T137 VanDerWaalsContact O-CB 3.22Å; E133-T137 WeakPolarHBondContact O-CB 3.33Å; E133-T137 PolarHBondContact O-N 3.21Å; E133-T137 PolarHBondContact O-OG1 3.08Å; D134-T137 PolarHBondContact O-N 3.25Å; K135-T137 VanDerWaalsContact C-N 3.31Å; T137-N140 PolarHBondContact O-N 3.48Å; T137-K141 HydrophobicContact CG2-CD 4.48Å; T137-K141 WeakPolarHBondContact O-CG 3.43Å; T137-K141 PolarHBondContact O-N 3.41Å
138L71.6Confident71.7Confident26 Ų2689.1 Ų89.114%0.13646%0.459CS..Hα-helixtrans-66.6-39.2177.2-76.2165.8000111.5P123 V124 D134 K135 K141 G142 H143 W145P123-L138 HydrophobicContact CB-CD2 4.02Å; V124-L138 HydrophobicContact CG2-CD1 4.27Å; D134-L138 VanDerWaalsContact O-CB 3.3Å; D134-L138 WeakPolarHBondContact O-CB 3.31Å; D134-L138 VanDerWaalsContact O-CG 3.28Å; D134-L138 WeakPolarHBondContact O-CG 3.34Å; D134-L138 PolarHBondContact O-N 3.07Å; K135-L138 PolarHBondContact O-N 3.21Å; L138-K141 CarbonylContact O-C 3.28Å; L138-K141 PolarHBondContact O-N 3.11Å; L138-G142 PolarHBondContact O-N 2.84Å; L138-H143 HydrophobicContact CB-CB 4.37Å; L138-H143 HydrophobicContact CD2-CB 4.3Å; L138-H143 WeakPolarHBondContact O-CB 3.41Å; L138-H143 PolarHBondContact O-N 3.16Å; L138-W145 HydrophobicContact CB-CZ3 4.01Å; L138-W145 HydrophobicContact CD1-CE3 4.39Å; L138-W145 HydrophobicContact CD1-CZ3 3.77Å
139A73.1Confident72.1Confident60 Ų6089.1 Ų89.150%0.49646%0.463SS..Hα-helixtrans-63.2-41173.400000112K135 D136 K141 G142K135-A139 VanDerWaalsContact O-CB 3.3Å; K135-A139 WeakPolarHBondContact O-CB 3.46Å; K135-A139 PolarHBondContact O-N 3.18Å; D136-A139 PolarHBondContact O-N 3.28Å; A139-K141 VanDerWaalsContact C-N 3.3Å; A139-K141 PolarHBondContact O-N 3.1Å; A139-G142 WeakPolarHBondContact O-CA 3.45Å; A139-G142 PolarHBondContact O-N 2.89Å
140N71.6Confident72.7Confident145 Ų14583.8 Ų83.878%0.77544%0.439SS*.Hα-helixtrans-65.8-31.8173.9-69.6-20.5000112.4D136 T137 G142D136-N140 WeakPolarHBondContact O-CB 3.22Å; D136-N140 PolarHBondContact O-N 3.4Å; D136-N140 PolarHBondContact O-ND2 3.45Å; T137-N140 PolarHBondContact O-N 3.48Å; N140-G142 PolarHBondContact O-N 2.85Å
141K72.2Confident73.3Confident165 Ų16582.7 Ų82.772%0.71743%0.433SS*.THydrogen-bonded Turntrans-779168.6-68.3180179.2-173.90113.3T137 L138 A139 H143T137-K141 HydrophobicContact CG2-CD 4.48Å; T137-K141 WeakPolarHBondContact O-CG 3.43Å; T137-K141 PolarHBondContact O-N 3.41Å; L138-K141 CarbonylContact O-C 3.28Å; L138-K141 PolarHBondContact O-N 3.11Å; A139-K141 VanDerWaalsContact C-N 3.3Å; A139-K141 PolarHBondContact O-N 3.1Å; K141-H143 PolarHBondContact O-N 3.37Å
142G69.1Low73.8Confident58 Ų5886.1 Ų86.160%0.59844%0.442SS*.THydrogen-bonded Turntrans73.81.7178.600000115.5L138 A139 N140 R144L138-G142 PolarHBondContact O-N 2.84Å; A139-G142 WeakPolarHBondContact O-CA 3.45Å; A139-G142 PolarHBondContact O-N 2.89Å; N140-G142 PolarHBondContact O-N 2.85Å; G142-R144 PolarHBondContact O-N 2.75Å
143H71.4Confident74.3Confident53 Ų5385.1 Ų85.125%0.24544%0.44CS..  trans-76.9113-172.6-177.974.8000111.9V124 L138 K141 N198V124-H143 WeakPolarHBondContact CG2-NE2 3.27Å; L138-H143 HydrophobicContact CB-CB 4.37Å; L138-H143 HydrophobicContact CD2-CB 4.3Å; L138-H143 WeakPolarHBondContact O-CB 3.41Å; L138-H143 PolarHBondContact O-N 3.16Å; K141-H143 PolarHBondContact O-N 3.37Å; H143-N198 PolarHBondContact CE1-OD1 3.26Å; H143-N198 PolarHBondContact NE2-OD1 3.3Å
144R66.5Low75.3Confident176 Ų17680.1 Ų80.166%0.66442%0.416SS*.PPolyproline II helixtrans-98.7117.2173.9-71.8171.262.6175.7-1.7110.2G142 N198 D355G142-R144 PolarHBondContact O-N 2.75Å; R144-N198 PolarHBondContact O-ND2 3.31Å; R144-D355 IonicContact CZ-OD1 2.75Å; R144-D355 IonicContact NH2-OD1 3.06Å; R144-D355 PolarHBondContact NH2-OD1 3.3Å
145W74.1Confident76.2Confident34 Ų3478.5 Ų78.513%0.12941%0.407CS..PPolyproline II helixtrans-98.8150.2170.671.177.1000112.5V124 T130 K135 L138 Q147 N198V124-W145 HydrophobicContact CG1-CB 4.45Å; V124-W145 HydrophobicContact CG1-CD2 3.89Å; V124-W145 HydrophobicContact CG1-CE3 4.03Å; V124-W145 HydrophobicContact CG1-CG 4.12Å; V124-W145 HydrophobicContact CG1-CZ3 4.41Å; V124-W145 HydrophobicContact CG2-CB 3.98Å; V124-W145 HydrophobicContact CG2-CD2 4.19Å; V124-W145 HydrophobicContact CG2-CE3 3.82Å; V124-W145 HydrophobicContact CG2-CG 4.33Å; V124-W145 HydrophobicContact CG2-CZ3 4.49Å; T130-W145 HydrophobicContact CG2-CH2 4.45Å; K135-W145 HydrophobicContact CB-CH2 3.66Å; K135-W145 HydrophobicContact CB-CZ2 4.47Å; K135-W145 HydrophobicContact CB-CZ3 4.49Å; K135-W145 HydrophobicContact CD-CH2 4.29Å; K135-W145 HydrophobicContact CD-CZ2 4.4Å; K135-W145 HydrophobicContact CG-CH2 3.56Å; K135-W145 HydrophobicContact CG-CZ2 4.13Å; K135-W145 HydrophobicContact CG-CZ3 4.37Å; L138-W145 HydrophobicContact CB-CZ3 4.01Å; L138-W145 HydrophobicContact CD1-CE3 4.39Å; L138-W145 HydrophobicContact CD1-CZ3 3.77Å; W145-Q147 VanDerWaalsContact NE1-NE2 3.11Å; W145-N198 WeakPolarHBondContact CA-OD1 3.32Å; W145-N198 WeakPolarHBondContact CB-OD1 3.34Å
146K74.4Confident77Confident70 Ų7076.5 Ų76.530%0.30440%0.401SS..PPolyproline II helixtrans-73137.8-176.1-70.9-164.4171.6-166.30111.5E154 N198 R199 D352K146-E154 VanDerWaalsContact CD-OE1 3.31Å; K146-E154 WeakPolarHBondContact CD-OE1 3.47Å; K146-N198 PolarHBondContact N-O 3.06Å; K146-R199 HydrophobicContact CB-CG 4.27Å; K146-D352 IonicContact NZ-OD2 2.71Å; K146-D352 PolarHBondContact NZ-OD2 3.09Å
147Q74.9Confident78Confident127 Ų12776.4 Ų76.459%0.59340%0.4SS*.  trans-135.6159.7179.9-62.5-172.437.900110.5W145W145-Q147 VanDerWaalsContact NE1-NE2 3.11Å
148G76.8Confident78.9Confident62 Ų6273.1 Ų73.164%0.63938%0.38SS*.SBendtrans81.4-134.3-178.800000112.9R199G148-R199 PolarHBondContact O-NH1 3.48Å; G148-R199 VanDerWaalsContact O-NH1 3.08Å
149M80.1Confident79.8Confident90 Ų9074.5 Ų74.544%0.44339%0.387SS..SBendtrans-61.8146.9-174.9-153.3-179.6-50.700110.7R199 N354 W379M149-R199 PolarHBondContact O-NH1 3.46Å; M149-R199 PolarHBondContact O-NH2 3.32Å; M149-N354 VanDerWaalsContact CB-OD1 3.25Å; M149-N354 WeakPolarHBondContact CB-OD1 3.21Å; M149-W379 HydrophobicContact CE-CZ2 4.14Å; M149-W379 HydrophobicContact SD-CZ2 4.49Å
150W83.8Confident80.7Confident35 Ų3576.1 Ų76.113%0.13339%0.387CS..PPolyproline II helixtrans-86132.8171-74.964.1000108.7E154 I155 L158 L197 V204 R207W150-E154 WeakPolarHBondContact CA-OE2 3.36Å; W150-E154 HydrophobicContact CE3-CB 3.75Å; W150-E154 HydrophobicContact CZ3-CB 4.22Å; W150-I155 HydrophobicContact CB-CD1 4.09Å; W150-I155 HydrophobicContact CB-CG1 4Å; W150-I155 HydrophobicContact CE3-CG1 4.43Å; W150-L158 HydrophobicContact CH2-CD1 4.45Å; W150-L158 HydrophobicContact CZ3-CD1 4.39Å; W150-L158 HydrophobicContact CZ3-CD2 4.2Å; W150-L197 HydrophobicContact CH2-CD1 4.11Å; W150-L197 HydrophobicContact CZ3-CD1 3.94Å; W150-L197 HydrophobicContact CZ3-CD2 4.48Å; W150-V204 HydrophobicContact CH2-CG2 4.21Å; W150-R207 HydrophobicContact CD2-CB 4.28Å; W150-R207 HydrophobicContact CD2-CG 3.77Å; W150-R207 HydrophobicContact CE3-CG 3.96Å; W150-R207 HydrophobicContact CG-CG 4.42Å; W150-R207 HydrophobicContact CH2-CB 3.85Å; W150-R207 HydrophobicContact CH2-CG 3.95Å; W150-R207 HydrophobicContact CZ2-CB 3.37Å; W150-R207 HydrophobicContact CZ2-CG 3.75Å; W150-R207 HydrophobicContact CZ3-CB 4.46Å; W150-R207 HydrophobicContact CZ3-CG 4.05Å
151S83.1Confident81.7Confident16 Ų1669.8 Ų69.811%0.11235%0.353CS..PPolyproline II helixtrans-73.5168.3171.691.60000110.4E153 E154 I155S151-E153 VanDerWaalsContact C-N 3.32Å; S151-E153 WeakPolarHBondContact CB-OE2 3.41Å; S151-E153 PolarHBondContact OG-N 3.4Å; S151-E153 PolarHBondContact OG-OE2 3.2Å; S151-E154 PolarHBondContact N-OE2 3.46Å; S151-E154 PolarHBondContact OG-N 3.42Å; S151-I155 WeakPolarHBondContact O-CD1 3.38Å; S151-I155 VanDerWaalsContact O-CG1 3.28Å; S151-I155 WeakPolarHBondContact O-CG1 3.49Å; S151-I155 PolarHBondContact O-N 2.96Å
152K82.4Confident82.6Confident137 Ų13761.9 Ų61.960%0.59632%0.319SS*.Hα-helixtrans-65.9-43.1178.3-170.4-162.9170.4-161.60110.1E154 I155 D156K152-E154 VanDerWaalsContact C-N 3.33Å; K152-E154 PolarHBondContact O-N 3.49Å; K152-I155 CarbonylContact O-C 3.56Å; K152-I155 WeakPolarHBondContact O-CA 3.34Å; K152-I155 WeakPolarHBondContact O-CB 3.22Å; K152-I155 PolarHBondContact O-N 2.88Å; K152-D156 VanDerWaalsContact CE-OD2 3.22Å; K152-D156 WeakPolarHBondContact CE-OD2 3.31Å; K152-D156 IonicContact NZ-OD2 3.5Å; K152-D156 VanDerWaalsContact O-CG 3.29Å; K152-D156 PolarHBondContact O-N 3.06Å
153E83.8Confident83.6Confident113 Ų11361.8 Ų61.853%0.52831%0.305SS..Hα-helixtrans-60.4-41.6-178.4-51.569.1-147.300110.9S151 I155 D156 I157S151-E153 VanDerWaalsContact C-N 3.32Å; S151-E153 WeakPolarHBondContact CB-OE2 3.41Å; S151-E153 PolarHBondContact OG-N 3.4Å; S151-E153 PolarHBondContact OG-OE2 3.2Å; E153-I155 VanDerWaalsContact C-N 3.29Å; E153-I155 PolarHBondContact O-N 2.9Å; E153-D156 PolarHBondContact O-N 3.46Å; E153-I157 WeakPolarHBondContact O-CB 3.43Å; E153-I157 WeakPolarHBondContact O-CD1 3.17Å; E153-I157 VanDerWaalsContact O-CG1 3.22Å; E153-I157 WeakPolarHBondContact O-CG1 2.84Å; E153-I157 PolarHBondContact O-N 3.02Å
154E88.5Confident84.4Confident12 Ų1264.2 Ų64.26%0.05631%0.312CS..Hα-helixtrans-67.1-27.2173.9-66.5175.8121.800113.4K146 W150 S151 K152 L158 L197 R199K146-E154 VanDerWaalsContact CD-OE1 3.31Å; K146-E154 WeakPolarHBondContact CD-OE1 3.47Å; W150-E154 WeakPolarHBondContact CA-OE2 3.36Å; W150-E154 HydrophobicContact CE3-CB 3.75Å; W150-E154 HydrophobicContact CZ3-CB 4.22Å; S151-E154 PolarHBondContact N-OE2 3.46Å; S151-E154 PolarHBondContact OG-N 3.42Å; K152-E154 VanDerWaalsContact C-N 3.33Å; K152-E154 PolarHBondContact O-N 3.49Å; E154-L158 VanDerWaalsContact O-CB 3.31Å; E154-L158 WeakPolarHBondContact O-CB 3.46Å; E154-L158 PolarHBondContact O-N 3Å; E154-L197 HydrophobicContact CB-CD2 4.09Å; E154-L197 HydrophobicContact CG-CD2 4.37Å; E154-R199 VanDerWaalsContact CD-NH2 3.27Å; E154-R199 IonicContact OE1-CZ 3.45Å; E154-R199 VanDerWaalsContact OE1-CZ 3.31Å; E154-R199 IonicContact OE1-NE 2.73Å; E154-R199 PolarHBondContact OE1-NE 3.27Å; E154-R199 IonicContact OE1-NH2 3.27Å; E154-R199 PolarHBondContact OE1-NH2 3.41Å; E154-R199 IonicContact OE2-CZ 3.9Å; E154-R199 IonicContact OE2-NE 2.66Å; E154-R199 PolarHBondContact OE2-NE 3.07Å; E154-R199 IonicContact OE2-NH2 3.79Å; E154-R199 PolarHBondContact OE2-NH2 3.2Å
155I88.8Confident85.5Confident36 Ų3656 Ų5619%0.18528%0.281CS..Hα-helixtrans-79.5-41.5175.6-63.6161.5000109.8W150 S151 K152 E153 L158 I159 R207 M211W150-I155 HydrophobicContact CB-CD1 4.09Å; W150-I155 HydrophobicContact CB-CG1 4Å; W150-I155 HydrophobicContact CE3-CG1 4.43Å; S151-I155 WeakPolarHBondContact O-CD1 3.38Å; S151-I155 VanDerWaalsContact O-CG1 3.28Å; S151-I155 WeakPolarHBondContact O-CG1 3.49Å; S151-I155 PolarHBondContact O-N 2.96Å; K152-I155 CarbonylContact O-C 3.56Å; K152-I155 WeakPolarHBondContact O-CA 3.34Å; K152-I155 WeakPolarHBondContact O-CB 3.22Å; K152-I155 PolarHBondContact O-N 2.88Å; E153-I155 VanDerWaalsContact C-N 3.29Å; E153-I155 PolarHBondContact O-N 2.9Å; I155-L158 WeakPolarHBondContact O-CB 3.43Å; I155-L158 PolarHBondContact O-N 3.45Å; I155-I159 HydrophobicContact CG2-CD1 3.9Å; I155-I159 WeakPolarHBondContact O-CG1 3.36Å; I155-I159 PolarHBondContact O-N 2.92Å; I155-R207 VanDerWaalsContact CD1-NH2 3.28Å; I155-M211 HydrophobicContact CG2-CE 4.24Å
156D88.4Confident86.2Confident59 Ų5955.3 Ų55.332%0.31628%0.279SS..Hα-helixtrans-66-41.4178.4-63.9-13000110.3K152 E153 L158 I159 N160K152-D156 VanDerWaalsContact CE-OD2 3.22Å; K152-D156 WeakPolarHBondContact CE-OD2 3.31Å; K152-D156 IonicContact NZ-OD2 3.5Å; K152-D156 VanDerWaalsContact O-CG 3.29Å; K152-D156 PolarHBondContact O-N 3.06Å; E153-D156 PolarHBondContact O-N 3.46Å; D156-L158 PolarHBondContact O-N 2.95Å; D156-I159 PolarHBondContact O-N 2.99Å; D156-N160 WeakPolarHBondContact O-CB 3.22Å; D156-N160 PolarHBondContact O-N 3.16Å; D156-N160 PolarHBondContact O-ND2 3.18Å
157I90.3Very high86.9Confident61 Ų6160.1 Ų60.131%0.31330%0.3SS..Hα-helixtrans-58.9-45.6170.3-70.3163.8000111E153 I159 N160 N161 L197E153-I157 WeakPolarHBondContact O-CB 3.43Å; E153-I157 WeakPolarHBondContact O-CD1 3.17Å; E153-I157 VanDerWaalsContact O-CG1 3.22Å; E153-I157 WeakPolarHBondContact O-CG1 2.84Å; E153-I157 PolarHBondContact O-N 3.02Å; I157-I159 PolarHBondContact O-N 3.23Å; I157-N160 PolarHBondContact O-N 3.09Å; I157-N161 WeakPolarHBondContact O-CB 3.49Å; I157-N161 PolarHBondContact O-N 2.94Å; I157-N161 PolarHBondContact O-ND2 3.47Å; I157-L197 HydrophobicContact CB-CD2 3.97Å; I157-L197 HydrophobicContact CD1-CD2 4.47Å; I157-L197 HydrophobicContact CG2-CD2 3.65Å; I157-L197 HydrophobicContact CG2-CG 3.92Å
158L92.1Very high87.5Confident0 Ų061.5 Ų61.50%030%0.3CS..Hα-helixtrans-60.7-44.4-179.1-171.577.9000112W150 E154 I155 D156 I162 V193 L197 V204 R207 V208 M211W150-L158 HydrophobicContact CH2-CD1 4.45Å; W150-L158 HydrophobicContact CZ3-CD1 4.39Å; W150-L158 HydrophobicContact CZ3-CD2 4.2Å; E154-L158 VanDerWaalsContact O-CB 3.31Å; E154-L158 WeakPolarHBondContact O-CB 3.46Å; E154-L158 PolarHBondContact O-N 3Å; I155-L158 WeakPolarHBondContact O-CB 3.43Å; I155-L158 PolarHBondContact O-N 3.45Å; D156-L158 PolarHBondContact O-N 2.95Å; L158-I162 HydrophobicContact CG-CD1 4.38Å; L158-I162 VanDerWaalsContact O-CG1 3.31Å; L158-I162 WeakPolarHBondContact O-CG1 3.47Å; L158-I162 PolarHBondContact O-N 3.31Å; L158-I162 VanDerWaalsContact O-N 3.16Å; L158-V193 HydrophobicContact CD1-CG1 3.36Å; L158-V193 HydrophobicContact CG-CG1 4.17Å; L158-L197 HydrophobicContact CB-CD1 4.31Å; L158-L197 HydrophobicContact CD1-CD1 3.6Å; L158-V204 HydrophobicContact CD1-CG1 3.61Å; L158-R207 HydrophobicContact CD2-CB 4.33Å; L158-R207 HydrophobicContact CD2-CG 3.55Å; L158-V208 HydrophobicContact CD1-CG2 3.91Å; L158-V208 HydrophobicContact CD2-CG2 4.04Å; L158-V208 HydrophobicContact CG-CG2 4.22Å; L158-M211 HydrophobicContact CD2-CE 4.21Å; L158-M211 HydrophobicContact CD2-SD 3.63Å
159I90.5Very high87.9Confident56 Ų5664.2 Ų64.229%0.28729%0.291SS..Hα-helixtrans-64.7-52.2177.2-66.9164.9000110I155 D156 I157 N161 I162 D163 M211I155-I159 HydrophobicContact CG2-CD1 3.9Å; I155-I159 WeakPolarHBondContact O-CG1 3.36Å; I155-I159 PolarHBondContact O-N 2.92Å; D156-I159 PolarHBondContact O-N 2.99Å; I157-I159 PolarHBondContact O-N 3.23Å; I159-N161 PolarHBondContact O-N 2.88Å; I159-I162 WeakPolarHBondContact O-CB 3.42Å; I159-I162 PolarHBondContact O-N 2.7Å; I159-D163 PolarHBondContact O-N 3.34Å; I159-M211 HydrophobicContact CD1-CE 4.14Å; I159-M211 HydrophobicContact CG1-CE 3.78Å
160N92.1Very high88Confident93 Ų9363 Ų6350%0.49730%0.301SS..Hα-helixtrans-57-35.5179.5-77.8-61.1000112.9D156 I157 R164D156-N160 WeakPolarHBondContact O-CB 3.22Å; D156-N160 PolarHBondContact O-N 3.16Å; D156-N160 PolarHBondContact O-ND2 3.18Å; I157-N160 PolarHBondContact O-N 3.09Å; N160-R164 WeakPolarHBondContact O-CB 3.23Å; N160-R164 PolarHBondContact O-N 2.88Å
161N92.5Very high88.2Confident12 Ų1262.5 Ų62.56%0.06430%0.301CS..Hα-helixtrans-72.4-34.5176.1-68.2-18.2000113.1I157 I159 R164 Y165 V193 L195I157-N161 WeakPolarHBondContact O-CB 3.49Å; I157-N161 PolarHBondContact O-N 2.94Å; I157-N161 PolarHBondContact O-ND2 3.47Å; I159-N161 PolarHBondContact O-N 2.88Å; N161-R164 PolarHBondContact OD1-NH1 2.95Å; N161-Y165 WeakPolarHBondContact O-CB 3.42Å; N161-Y165 PolarHBondContact O-N 3.38Å; N161-V193 PolarHBondContact ND2-O 3.21Å; N161-L195 PolarHBondContact ND2-O 3.27Å
162I90.6Very high88.1Confident0 Ų070.5 Ų70.50%034%0.337CS..Hα-helixtrans-66.5-48.9173.7-70167.8000109.8L158 I159 R164 Y165 M166 P174 F189 V193 V208 Y212L158-I162 HydrophobicContact CG-CD1 4.38Å; L158-I162 VanDerWaalsContact O-CG1 3.31Å; L158-I162 WeakPolarHBondContact O-CG1 3.47Å; L158-I162 PolarHBondContact O-N 3.31Å; L158-I162 VanDerWaalsContact O-N 3.16Å; I159-I162 WeakPolarHBondContact O-CB 3.42Å; I159-I162 PolarHBondContact O-N 2.7Å; I162-R164 VanDerWaalsContact C-N 3.3Å; I162-R164 PolarHBondContact O-N 2.95Å; I162-Y165 WeakPolarHBondContact O-CA 3.33Å; I162-Y165 WeakPolarHBondContact O-CB 3.37Å; I162-Y165 PolarHBondContact O-N 3.25Å; I162-M166 HydrophobicContact CG2-CG 4.41Å; I162-M166 HydrophobicContact CG2-SD 3.84Å; I162-M166 WeakPolarHBondContact O-CG 3.44Å; I162-M166 PolarHBondContact O-N 3.43Å; I162-P174 HydrophobicContact CG2-CB 4.13Å; I162-P174 HydrophobicContact CG2-CG 4.35Å; I162-F189 HydrophobicContact CG1-CE2 4.23Å; I162-F189 HydrophobicContact CG1-CZ 4.19Å; I162-V193 HydrophobicContact CD1-CG1 4.19Å; I162-V193 HydrophobicContact CG1-CB 4.37Å; I162-V193 HydrophobicContact CG1-CG1 3.79Å; I162-V193 HydrophobicContact CG1-CG2 3.57Å; I162-V208 HydrophobicContact CD1-CG1 4.34Å; I162-V208 HydrophobicContact CD1-CG2 4.19Å; I162-Y212 HydrophobicContact CD1-CE2 3.71Å
163D89.8Confident88.1Confident56 Ų5667.9 Ų67.930%0.29933%0.329SS..Hα-helixtrans-59.2-40.6178.2-67.3-3.4000111.8I159 K167I159-D163 PolarHBondContact O-N 3.34Å; D163-K167 WeakPolarHBondContact O-CB 3.49Å; D163-K167 WeakPolarHBondContact O-CD 3.3Å; D163-K167 VanDerWaalsContact O-CG 3.25Å; D163-K167 WeakPolarHBondContact O-CG 3.28Å; D163-K167 PolarHBondContact O-N 3.28Å
164R89.6Confident88.1Confident104 Ų10463.5 Ų63.539%0.39231%0.31SS..Hα-helixtrans-64.8-38.9174.2-165.3-170.1-59.6101.2-0.3111.8N160 N161 I162 R168N160-R164 WeakPolarHBondContact O-CB 3.23Å; N160-R164 PolarHBondContact O-N 2.88Å; N161-R164 PolarHBondContact OD1-NH1 2.95Å; I162-R164 VanDerWaalsContact C-N 3.3Å; I162-R164 PolarHBondContact O-N 2.95Å; R164-R168 WeakPolarHBondContact O-CG 3.08Å; R164-R168 PolarHBondContact O-N 3.31Å
165Y88.4Confident87.8Confident3 Ų364 Ų641%0.01232%0.317CS..Hα-helixtrans-66.7-46177.3-174.2-86.4000111.9N161 I162 R168 R169 I177 D188 F189N161-Y165 WeakPolarHBondContact O-CB 3.42Å; N161-Y165 PolarHBondContact O-N 3.38Å; I162-Y165 WeakPolarHBondContact O-CA 3.33Å; I162-Y165 WeakPolarHBondContact O-CB 3.37Å; I162-Y165 PolarHBondContact O-N 3.25Å; Y165-R168 PolarHBondContact O-N 3.42Å; Y165-R169 VanDerWaalsContact CZ-NE 3.3Å; Y165-R169 PolarHBondContact O-N 2.91Å; Y165-R169 PolarHBondContact OH-NE 2.9Å; Y165-R169 VanDerWaalsContact OH-NE 3.09Å; Y165-R169 PolarHBondContact OH-NH2 3.06Å; Y165-I177 HydrophobicContact CD1-CD1 3.96Å; Y165-I177 HydrophobicContact CE1-CD1 4.1Å; Y165-I177 HydrophobicContact CE1-CG2 4.18Å; Y165-D188 WeakPolarHBondContact CE2-OD2 3.35Å; Y165-D188 PolarHBondContact OH-OD2 2.56Å; Y165-F189 AromaticContact CD1-CD2 3.5Å; Y165-F189 HydrophobicContact CD1-CD2 3.5Å; Y165-F189 HydrophobicContact CD1-CE2 4.05Å; Y165-F189 HydrophobicContact CD2-CD2 4.18Å; Y165-F189 HydrophobicContact CE1-CB 4.09Å; Y165-F189 AromaticContact CE1-CD2 3.59Å; Y165-F189 HydrophobicContact CE1-CD2 3.59Å; Y165-F189 HydrophobicContact CE1-CE2 4.45Å; Y165-F189 HydrophobicContact CE1-CG 4.23Å; Y165-F189 HydrophobicContact CE2-CB 4.08Å; Y165-F189 HydrophobicContact CE2-CD2 4.27Å; Y165-F189 AromaticContact CG-CD2 3.8Å; Y165-F189 HydrophobicContact CG-CD2 3.8Å; Y165-F189 HydrophobicContact CG-CE2 4.39Å; Y165-F189 AromaticContact CZ-CD2 3.97Å
166M89.1Confident87.6Confident20 Ų2066.1 Ų66.110%0.09933%0.326CS..Hα-helixtrans-57.6-51.5176.1-74.3169.867.700112I162 R168 R169 G170 I171 Q172 P174 I177I162-M166 HydrophobicContact CG2-CG 4.41Å; I162-M166 HydrophobicContact CG2-SD 3.84Å; I162-M166 WeakPolarHBondContact O-CG 3.44Å; I162-M166 PolarHBondContact O-N 3.43Å; M166-R168 VanDerWaalsContact C-N 3.28Å; M166-R168 PolarHBondContact O-N 2.94Å; M166-R169 CarbonylContact O-C 3.56Å; M166-R169 PolarHBondContact O-N 2.66Å; M166-G170 PolarHBondContact O-N 3.07Å; M166-I171 WeakPolarHBondContact CE-O 3.29Å; M166-I171 PolarHBondContact O-N 2.81Å; M166-Q172 WeakPolarHBondContact CE-O 3.32Å; M166-P174 HydrophobicContact CE-CG 4.01Å; M166-P174 HydrophobicContact SD-CB 4.19Å; M166-P174 HydrophobicContact SD-CG 3.6Å; M166-P174 VanDerWaalsContact SD-CG 3.6Å; M166-I177 HydrophobicContact CG-CD1 3.75Å
167K89.4Confident87.2Confident170 Ų17063.3 Ų63.374%0.73931%0.311SS*.Hα-helixtrans-56.3-39.4179-75167.8-178170.30112.7D163 R169D163-K167 WeakPolarHBondContact O-CB 3.49Å; D163-K167 WeakPolarHBondContact O-CD 3.3Å; D163-K167 VanDerWaalsContact O-CG 3.25Å; D163-K167 WeakPolarHBondContact O-CG 3.28Å; D163-K167 PolarHBondContact O-N 3.28Å; K167-R169 VanDerWaalsContact C-N 3.28Å; K167-R169 PolarHBondContact O-N 2.91Å
168R87.5Confident86.9Confident157 Ų15760.5 Ų60.559%0.59230%0.297SS*.Hα-helixtrans-72.5-13.9177-69.5-170.6-53.6179.39.4114.6R164 Y165 M166R164-R168 WeakPolarHBondContact O-CG 3.08Å; R164-R168 PolarHBondContact O-N 3.31Å; Y165-R168 PolarHBondContact O-N 3.42Å; M166-R168 VanDerWaalsContact C-N 3.28Å; M166-R168 PolarHBondContact O-N 2.94Å
169R84.4Confident86.4Confident119 Ų11965 Ų6545%0.44932%0.316SS..Hα-helixtrans-116.5-0.3178.2-68.6-170.7179.4-118.514.8114.3Y165 M166 K167 I171 D188Y165-R169 VanDerWaalsContact CZ-NE 3.3Å; Y165-R169 PolarHBondContact O-N 2.91Å; Y165-R169 PolarHBondContact OH-NE 2.9Å; Y165-R169 VanDerWaalsContact OH-NE 3.09Å; Y165-R169 PolarHBondContact OH-NH2 3.06Å; M166-R169 CarbonylContact O-C 3.56Å; M166-R169 PolarHBondContact O-N 2.66Å; K167-R169 VanDerWaalsContact C-N 3.28Å; K167-R169 PolarHBondContact O-N 2.91Å; R169-I171 VanDerWaalsContact C-N 3.26Å; R169-I171 HydrophobicContact CB-CD1 3.95Å; R169-I171 HydrophobicContact CB-CG1 4.04Å; R169-I171 PolarHBondContact O-N 2.92Å; R169-D188 IonicContact CZ-OD2 2.66Å; R169-D188 VanDerWaalsContact NH2-CG 3.26Å; R169-D188 IonicContact NH2-OD1 3.94Å; R169-D188 PolarHBondContact NH2-OD1 3.32Å; R169-D188 IonicContact NH2-OD2 3.05Å; R169-D188 PolarHBondContact NH2-OD2 2.87Å
170G84.1Confident86Confident64 Ų6470.1 Ų70.166%0.6634%0.339SS*.THydrogen-bonded Turntrans72.612.7-179.700000115.2M166M166-G170 PolarHBondContact O-N 3.07Å
171I86.6Confident85.5Confident24 Ų2467.5 Ų67.512%0.12332%0.324CS..  trans-84.5136-175.3-58.2174.6000109.7M166 R169 E176 I177 M181M166-I171 WeakPolarHBondContact CE-O 3.29Å; M166-I171 PolarHBondContact O-N 2.81Å; R169-I171 VanDerWaalsContact C-N 3.26Å; R169-I171 HydrophobicContact CB-CD1 3.95Å; R169-I171 HydrophobicContact CB-CG1 4.04Å; R169-I171 PolarHBondContact O-N 2.92Å; I171-E176 HydrophobicContact CG2-CB 4.38Å; I171-E176 WeakPolarHBondContact CG2-OE2 3.23Å; I171-I177 HydrophobicContact CB-CD1 4.23Å; I171-I177 HydrophobicContact CD1-CD1 3.85Å; I171-I177 HydrophobicContact CD1-CG1 3.84Å; I171-I177 HydrophobicContact CG2-CD1 3.97Å; I171-I177 HydrophobicContact CG2-CG1 3.85Å; I171-M181 HydrophobicContact CD1-CE 4.32Å; I171-M181 HydrophobicContact CD1-SD 4.18Å
172Q81.3Confident84.9Confident184 Ų18469 Ų6986%0.8634%0.336SS*.  trans-98.5-25-174.8-64.3-166.441.200114.7M166M166-Q172 WeakPolarHBondContact CE-O 3.32Å
173D82.9Confident84.2Confident82 Ų8276.5 Ų76.544%0.43937%0.368SS..  trans-115.5125.7178.9-169.2-14.1000111.2A175 E176D173-A175 PolarHBondContact O-N 3.1Å; D173-A175 VanDerWaalsContact OD1-CB 3.23Å; D173-A175 WeakPolarHBondContact OD1-CB 3.31Å; D173-A175 PolarHBondContact OD1-N 3.31Å; D173-E176 HydrophobicContact CB-CB 4.44Å; D173-E176 WeakPolarHBondContact O-CB 3.27Å; D173-E176 PolarHBondContact O-N 2.99Å
174P83Confident83.4Confident21 Ų2180 Ų8014%0.13638%0.383CS..Hα-helixtrans-57.2-32.2169.3-19.929.4000113.4I162 M166 E176 I177 I178 Y212I162-P174 HydrophobicContact CG2-CB 4.13Å; I162-P174 HydrophobicContact CG2-CG 4.35Å; M166-P174 HydrophobicContact CE-CG 4.01Å; M166-P174 HydrophobicContact SD-CB 4.19Å; M166-P174 HydrophobicContact SD-CG 3.6Å; M166-P174 VanDerWaalsContact SD-CG 3.6Å; P174-E176 VanDerWaalsContact C-N 3.35Å; P174-E176 PolarHBondContact O-N 2.81Å; P174-I177 PolarHBondContact O-N 3.14Å; P174-I178 HydrophobicContact CB-CD1 4.11Å; P174-I178 VanDerWaalsContact O-CD1 3.24Å; P174-I178 WeakPolarHBondContact O-CD1 3.2Å; P174-I178 WeakPolarHBondContact O-CG1 3.38Å; P174-I178 PolarHBondContact O-N 3.21Å; P174-Y212 HydrophobicContact CB-CD1 3.69Å; P174-Y212 HydrophobicContact CB-CE1 3.54Å; P174-Y212 HydrophobicContact CB-CE2 4.41Å; P174-Y212 HydrophobicContact CB-CG 4.19Å; P174-Y212 HydrophobicContact CG-CD1 4.03Å; P174-Y212 HydrophobicContact CG-CE1 3.53Å
175A83.3Confident82.8Confident24 Ų2479.7 Ų79.720%0.19839%0.386CS..Hα-helixtrans-64.8-36.6-175.800000112.4D173 I177 I178 F179D173-A175 PolarHBondContact O-N 3.1Å; D173-A175 VanDerWaalsContact OD1-CB 3.23Å; D173-A175 WeakPolarHBondContact OD1-CB 3.31Å; D173-A175 PolarHBondContact OD1-N 3.31Å; A175-I177 VanDerWaalsContact C-N 3.31Å; A175-I177 PolarHBondContact O-N 3.04Å; A175-I178 PolarHBondContact O-N 2.71Å; A175-I178 VanDerWaalsContact O-N 3.08Å; A175-F179 HydrophobicContact CB-CD2 4.02Å; A175-F179 HydrophobicContact CB-CE2 4.39Å; A175-F179 WeakPolarHBondContact O-CD2 3.47Å; A175-F179 PolarHBondContact O-N 3.25Å
176E83.2Confident82.5Confident79 Ų7981.4 Ų81.437%0.36939%0.392SS..Iπ-helixtrans-51.5-50173.1-169.3-175.1152.300110.6I171 D173 P174 I178 E180 M181I171-E176 HydrophobicContact CG2-CB 4.38Å; I171-E176 WeakPolarHBondContact CG2-OE2 3.23Å; D173-E176 HydrophobicContact CB-CB 4.44Å; D173-E176 WeakPolarHBondContact O-CB 3.27Å; D173-E176 PolarHBondContact O-N 2.99Å; P174-E176 VanDerWaalsContact C-N 3.35Å; P174-E176 PolarHBondContact O-N 2.81Å; E176-I178 VanDerWaalsContact C-N 3.34Å; E176-I178 PolarHBondContact O-N 3.19Å; E176-E180 WeakPolarHBondContact O-CA 3.25Å; E176-E180 WeakPolarHBondContact O-CB 3.44Å; E176-E180 PolarHBondContact O-N 3.31Å; E176-M181 PolarHBondContact O-N 2.7Å
177I81.5Confident82.1Confident0 Ų087.1 Ų87.10%042%0.417CS..Iπ-helixtrans-67.1-33.5179.4-46-179.4000112.3Y165 M166 I171 P174 A175 M181 F189Y165-I177 HydrophobicContact CD1-CD1 3.96Å; Y165-I177 HydrophobicContact CE1-CD1 4.1Å; Y165-I177 HydrophobicContact CE1-CG2 4.18Å; M166-I177 HydrophobicContact CG-CD1 3.75Å; I171-I177 HydrophobicContact CB-CD1 4.23Å; I171-I177 HydrophobicContact CD1-CD1 3.85Å; I171-I177 HydrophobicContact CD1-CG1 3.84Å; I171-I177 HydrophobicContact CG2-CD1 3.97Å; I171-I177 HydrophobicContact CG2-CG1 3.85Å; P174-I177 PolarHBondContact O-N 3.14Å; A175-I177 VanDerWaalsContact C-N 3.31Å; A175-I177 PolarHBondContact O-N 3.04Å; I177-M181 HydrophobicContact CB-SD 4.24Å; I177-M181 HydrophobicContact CG1-SD 4.23Å; I177-M181 HydrophobicContact CG2-SD 4.03Å; I177-F189 HydrophobicContact CD1-CE2 4.42Å; I177-F189 HydrophobicContact CG2-CB 4.27Å; I177-F189 HydrophobicContact CG2-CD1 3.86Å; I177-F189 HydrophobicContact CG2-CD2 3.71Å; I177-F189 HydrophobicContact CG2-CE1 4.05Å; I177-F189 HydrophobicContact CG2-CE2 3.89Å; I177-F189 HydrophobicContact CG2-CG 3.68Å; I177-F189 HydrophobicContact CG2-CZ 4.05Å
178I82.8Confident81.9Confident2 Ų281.3 Ų81.31%0.0139%0.394CS..Iπ-helixtrans-89.2-29.5-170.5-65.1163.3000112.4P174 A175 E176 R186 F189 V208 L209 Y212P174-I178 HydrophobicContact CB-CD1 4.11Å; P174-I178 VanDerWaalsContact O-CD1 3.24Å; P174-I178 WeakPolarHBondContact O-CD1 3.2Å; P174-I178 WeakPolarHBondContact O-CG1 3.38Å; P174-I178 PolarHBondContact O-N 3.21Å; A175-I178 PolarHBondContact O-N 2.71Å; A175-I178 VanDerWaalsContact O-N 3.08Å; E176-I178 VanDerWaalsContact C-N 3.34Å; E176-I178 PolarHBondContact O-N 3.19Å; I178-R186 PolarHBondContact O-NH1 2.57Å; I178-F189 HydrophobicContact CD1-CZ 4.43Å; I178-F189 HydrophobicContact CG1-CE1 3.83Å; I178-F189 HydrophobicContact CG1-CZ 4Å; I178-V208 HydrophobicContact CD1-CG1 3.41Å; I178-V208 VanDerWaalsContact CD1-CG1 3.41Å; I178-V208 HydrophobicContact CG1-CG1 3.75Å; I178-V208 HydrophobicContact CG2-CG1 4.47Å; I178-L209 HydrophobicContact CG2-CD2 3.72Å; I178-L209 HydrophobicContact CG2-CG 4.47Å; I178-Y212 HydrophobicContact CD1-CD2 3.31Å; I178-Y212 HydrophobicContact CD1-CE2 4Å; I178-Y212 HydrophobicContact CD1-CG 3.64Å
179F81.9Confident81.9Confident95 Ų9573.8 Ų73.842%0.41737%0.365SS..Iπ-helixtrans-124.3-29-172.5-57.8-72000114.8A175 L209 Y212 D213A175-F179 HydrophobicContact CB-CD2 4.02Å; A175-F179 HydrophobicContact CB-CE2 4.39Å; A175-F179 WeakPolarHBondContact O-CD2 3.47Å; A175-F179 PolarHBondContact O-N 3.25Å; F179-L209 HydrophobicContact CD1-CD2 4.31Å; F179-L209 HydrophobicContact CE1-CD2 3.6Å; F179-L209 HydrophobicContact CZ-CD2 4.14Å; F179-Y212 WeakPolarHBondContact CE2-O 3.41Å; F179-D213 HydrophobicContact CE1-CB 4.35Å; F179-D213 HydrophobicContact CZ-CB 3.83Å
180E81.9Confident82.1Confident163 Ų16368.2 Ų68.276%0.76234%0.344SS*.Iπ-helixtrans-102.4-43.1-172.9-51.5-162.6156.400112.8E176E176-E180 WeakPolarHBondContact O-CA 3.25Å; E176-E180 WeakPolarHBondContact O-CB 3.44Å; E176-E180 PolarHBondContact O-N 3.31Å
181M81.1Confident82.3Confident38 Ų3870.5 Ų70.519%0.18733%0.333CS..SBendtrans-60.3145.2177.4-67.8-165.6108.900113.4I171 E176 I177 E185I171-M181 HydrophobicContact CD1-CE 4.32Å; I171-M181 HydrophobicContact CD1-SD 4.18Å; E176-M181 PolarHBondContact O-N 2.7Å; I177-M181 HydrophobicContact CB-SD 4.24Å; I177-M181 HydrophobicContact CG1-SD 4.23Å; I177-M181 HydrophobicContact CG2-SD 4.03Å; M181-E185 HydrophobicContact CB-CB 4.45Å; M181-E185 HydrophobicContact CE-CB 3.95Å
182S80.8Confident82.3Confident44 Ų4470.3 Ų70.331%0.30833%0.334SS..  trans-62.9165.8175.970.30000112.7E184 E185 R186S182-E184 PolarHBondContact O-N 3.17Å; S182-E185 WeakPolarHBondContact CB-OE2 3.44Å; S182-E185 PolarHBondContact N-OE2 3.1Å; S182-E185 VanDerWaalsContact OG-CD 3.22Å; S182-E185 VanDerWaalsContact OG-CG 3.26Å; S182-E185 WeakPolarHBondContact OG-CG 3.18Å; S182-E185 PolarHBondContact OG-N 3.23Å; S182-E185 PolarHBondContact OG-OE2 3.14Å; S182-R186 VanDerWaalsContact O-CD 3.24Å; S182-R186 WeakPolarHBondContact O-CD 3.31Å; S182-R186 WeakPolarHBondContact O-CG 3.07Å; S182-R186 PolarHBondContact O-N 2.84Å
183K75.1Confident82.7Confident157 Ų15761.6 Ų61.668%0.68329%0.293SS*.THydrogen-bonded Turntrans-65.8-29.1177.5-60169.9-174.71650111.2K187K183-K187 PolarHBondContact O-N 3.44Å
184E73.1Confident83Confident129 Ų12957.7 Ų57.760%0.60327%0.272SS*.THydrogen-bonded Turntrans-77-40.3-174.3-66.459.9-136.500110.9S182 K187S182-E184 PolarHBondContact O-N 3.17Å; E184-K187 WeakPolarHBondContact O-CB 3.38Å; E184-K187 VanDerWaalsContact O-CD 3.31Å; E184-K187 WeakPolarHBondContact O-CD 3.26Å; E184-K187 VanDerWaalsContact O-CG 3.25Å; E184-K187 WeakPolarHBondContact O-CG 3.17Å
185E78.1Confident83.2Confident98 Ų9859.5 Ų59.546%0.45828%0.281SS..THydrogen-bonded Turntrans-71.9-31.4175.7-69.6159.5131.600112.9M181 S182M181-E185 HydrophobicContact CB-CB 4.45Å; M181-E185 HydrophobicContact CE-CB 3.95Å; S182-E185 WeakPolarHBondContact CB-OE2 3.44Å; S182-E185 PolarHBondContact N-OE2 3.1Å; S182-E185 VanDerWaalsContact OG-CD 3.22Å; S182-E185 VanDerWaalsContact OG-CG 3.26Å; S182-E185 WeakPolarHBondContact OG-CG 3.18Å; S182-E185 PolarHBondContact OG-N 3.23Å; S182-E185 PolarHBondContact OG-OE2 3.14Å
186R81.9Confident83.2Confident39 Ų3960.6 Ų60.615%0.14729%0.294CS..THydrogen-bonded Turntrans-97.517178.978.4-159.7-169.1154.3-0.7114.3I178 S182 D188 F189 Y190I178-R186 PolarHBondContact O-NH1 2.57Å; S182-R186 VanDerWaalsContact O-CD 3.24Å; S182-R186 WeakPolarHBondContact O-CD 3.31Å; S182-R186 WeakPolarHBondContact O-CG 3.07Å; S182-R186 PolarHBondContact O-N 2.84Å; R186-D188 PolarHBondContact O-N 3.28Å; R186-F189 HydrophobicContact CB-CB 4.04Å; R186-F189 WeakPolarHBondContact O-CB 3.48Å; R186-F189 PolarHBondContact O-N 3.47Å; R186-Y190 HydrophobicContact CG-CE2 4.24Å
187K80.6Confident83.3Confident141 Ų14156.9 Ų56.961%0.61328%0.277SS*.THydrogen-bonded Turntrans-59.6-30.2-177.168.2-175.6176-174.60114K183 E184 R191K183-K187 PolarHBondContact O-N 3.44Å; E184-K187 WeakPolarHBondContact O-CB 3.38Å; E184-K187 VanDerWaalsContact O-CD 3.31Å; E184-K187 WeakPolarHBondContact O-CD 3.26Å; E184-K187 VanDerWaalsContact O-CG 3.25Å; E184-K187 WeakPolarHBondContact O-CG 3.17Å; K187-R191 PolarHBondContact O-NH1 2.89Å
188D85.1Confident83.5Confident47 Ų4759.3 Ų59.325%0.25129%0.29SS..THydrogen-bonded Turntrans-102.8-17.818056.2-66.1000113.2Y165 R169 R186 R191 S192Y165-D188 WeakPolarHBondContact CE2-OD2 3.35Å; Y165-D188 PolarHBondContact OH-OD2 2.56Å; R169-D188 IonicContact CZ-OD2 2.66Å; R169-D188 VanDerWaalsContact NH2-CG 3.26Å; R169-D188 IonicContact NH2-OD1 3.94Å; R169-D188 PolarHBondContact NH2-OD1 3.32Å; R169-D188 IonicContact NH2-OD2 3.05Å; R169-D188 PolarHBondContact NH2-OD2 2.87Å; R186-D188 PolarHBondContact O-N 3.28Å; D188-R191 PolarHBondContact O-N 3.38Å; D188-S192 WeakPolarHBondContact O-CB 3.48Å; D188-S192 PolarHBondContact O-N 3.23Å; D188-S192 PolarHBondContact O-OG 3Å
189F87.9Confident83.7Confident0 Ų059.5 Ų59.50%029%0.29CS..Hα-helixtrans-53-61.4178.5174-119.3000112.2I162 Y165 I177 I178 R186 R191 S192 V193 V208I162-F189 HydrophobicContact CG1-CE2 4.23Å; I162-F189 HydrophobicContact CG1-CZ 4.19Å; Y165-F189 AromaticContact CD1-CD2 3.5Å; Y165-F189 HydrophobicContact CD1-CD2 3.5Å; Y165-F189 HydrophobicContact CD1-CE2 4.05Å; Y165-F189 HydrophobicContact CD2-CD2 4.18Å; Y165-F189 HydrophobicContact CE1-CB 4.09Å; Y165-F189 AromaticContact CE1-CD2 3.59Å; Y165-F189 HydrophobicContact CE1-CD2 3.59Å; Y165-F189 HydrophobicContact CE1-CE2 4.45Å; Y165-F189 HydrophobicContact CE1-CG 4.23Å; Y165-F189 HydrophobicContact CE2-CB 4.08Å; Y165-F189 HydrophobicContact CE2-CD2 4.27Å; Y165-F189 AromaticContact CG-CD2 3.8Å; Y165-F189 HydrophobicContact CG-CD2 3.8Å; Y165-F189 HydrophobicContact CG-CE2 4.39Å; Y165-F189 AromaticContact CZ-CD2 3.97Å; I177-F189 HydrophobicContact CD1-CE2 4.42Å; I177-F189 HydrophobicContact CG2-CB 4.27Å; I177-F189 HydrophobicContact CG2-CD1 3.86Å; I177-F189 HydrophobicContact CG2-CD2 3.71Å; I177-F189 HydrophobicContact CG2-CE1 4.05Å; I177-F189 HydrophobicContact CG2-CE2 3.89Å; I177-F189 HydrophobicContact CG2-CG 3.68Å; I177-F189 HydrophobicContact CG2-CZ 4.05Å; I178-F189 HydrophobicContact CD1-CZ 4.43Å; I178-F189 HydrophobicContact CG1-CE1 3.83Å; I178-F189 HydrophobicContact CG1-CZ 4Å; R186-F189 HydrophobicContact CB-CB 4.04Å; R186-F189 WeakPolarHBondContact O-CB 3.48Å; R186-F189 PolarHBondContact O-N 3.47Å; F189-R191 PolarHBondContact O-N 2.84Å; F189-S192 PolarHBondContact O-N 3.28Å; F189-S192 VanDerWaalsContact O-N 3.16Å; F189-V193 HydrophobicContact CD2-CG2 3.76Å; F189-V193 HydrophobicContact CE2-CG2 3.55Å; F189-V193 HydrophobicContact CG-CG2 4.44Å; F189-V193 HydrophobicContact CZ-CG2 4.04Å; F189-V193 WeakPolarHBondContact O-CB 3.43Å; F189-V193 VanDerWaalsContact O-CG2 3.27Å; F189-V193 WeakPolarHBondContact O-CG2 3.37Å; F189-V193 PolarHBondContact O-N 2.83Å; F189-V208 HydrophobicContact CE1-CG1 4.22Å; F189-V208 HydrophobicContact CZ-CG1 4.4Å
190Y88.3Confident83.9Confident2 Ų256 Ų561%0.00828%0.277CS..Hα-helixtrans-63.2-28.9-176-67.5-72.5000113.1W128 R186 A194 L201 Y205 V208W128-Y190 AromaticContact CH2-CD2 3.8Å; W128-Y190 HydrophobicContact CH2-CD2 3.8Å; W128-Y190 HydrophobicContact CH2-CE2 4.4Å; W128-Y190 HydrophobicContact CH2-CG 4.11Å; W128-Y190 HydrophobicContact CZ2-CD2 4.12Å; R186-Y190 HydrophobicContact CG-CE2 4.24Å; Y190-A194 VanDerWaalsContact O-CB 3.27Å; Y190-A194 WeakPolarHBondContact O-CB 3.43Å; Y190-A194 PolarHBondContact O-N 2.95Å; Y190-A194 VanDerWaalsContact O-N 3.1Å; Y190-L201 WeakPolarHBondContact O-CD1 3.18Å; Y190-Y205 HydrophobicContact CD1-CD2 4.14Å; Y190-Y205 HydrophobicContact CD2-CD2 4.34Å; Y190-Y205 AromaticContact CE1-CD2 3.66Å; Y190-Y205 HydrophobicContact CE1-CD2 3.66Å; Y190-Y205 HydrophobicContact CE1-CG 4.47Å; Y190-Y205 AromaticContact CE2-CD2 3.9Å; Y190-Y205 HydrophobicContact CE2-CD2 3.9Å; Y190-Y205 HydrophobicContact CE2-CE2 4.25Å; Y190-Y205 HydrophobicContact CG-CD2 4.46Å; Y190-Y205 AromaticContact CZ-CD2 3.54Å; Y190-Y205 AromaticContact CZ-CE2 3.99Å; Y190-V208 HydrophobicContact CE1-CB 4.22Å; Y190-V208 HydrophobicContact CE1-CG1 4.12Å
191R87.3Confident84.1Confident111 Ų11148.3 Ų48.342%0.41924%0.241SC..Hα-helixtrans-72-46.9174.7-69.9-174.4175.6107.6-15.4111.6K187 D188 F189 V193 A194 L195 L201K187-R191 PolarHBondContact O-NH1 2.89Å; D188-R191 PolarHBondContact O-N 3.38Å; F189-R191 PolarHBondContact O-N 2.84Å; R191-V193 VanDerWaalsContact C-N 3.26Å; R191-V193 PolarHBondContact O-N 3.33Å; R191-A194 PolarHBondContact O-N 3.34Å; R191-A194 VanDerWaalsContact O-N 3.11Å; R191-L195 PolarHBondContact O-N 3.18Å; R191-L201 HydrophobicContact CG-CD1 4.39Å; R191-L201 HydrophobicContact CG-CD2 4.15Å
192S87.8Confident84.4Confident21 Ų2149 Ų4915%0.14724%0.243CC..Hα-helixtrans-58.5-39.8174.5-55.90000111.9D188 F189 A194 L195D188-S192 WeakPolarHBondContact O-CB 3.48Å; D188-S192 PolarHBondContact O-N 3.23Å; D188-S192 PolarHBondContact O-OG 3Å; F189-S192 PolarHBondContact O-N 3.28Å; F189-S192 VanDerWaalsContact O-N 3.16Å; S192-A194 VanDerWaalsContact C-N 3.31Å; S192-L195 WeakPolarHBondContact O-CB 3.28Å; S192-L195 WeakPolarHBondContact O-CD1 3.43Å; S192-L195 WeakPolarHBondContact O-CG 3.38Å; S192-L195 PolarHBondContact O-N 3.46Å
193V90.2Very high84.7Confident0 Ų048.4 Ų48.40%024%0.241CC..Hα-helixtrans-71.9-25.4178.8170.80000112.5L158 N161 I162 F189 R191 V204 V208L158-V193 HydrophobicContact CD1-CG1 3.36Å; L158-V193 HydrophobicContact CG-CG1 4.17Å; N161-V193 PolarHBondContact ND2-O 3.21Å; I162-V193 HydrophobicContact CD1-CG1 4.19Å; I162-V193 HydrophobicContact CG1-CB 4.37Å; I162-V193 HydrophobicContact CG1-CG1 3.79Å; I162-V193 HydrophobicContact CG1-CG2 3.57Å; F189-V193 HydrophobicContact CD2-CG2 3.76Å; F189-V193 HydrophobicContact CE2-CG2 3.55Å; F189-V193 HydrophobicContact CG-CG2 4.44Å; F189-V193 HydrophobicContact CZ-CG2 4.04Å; F189-V193 WeakPolarHBondContact O-CB 3.43Å; F189-V193 VanDerWaalsContact O-CG2 3.27Å; F189-V193 WeakPolarHBondContact O-CG2 3.37Å; F189-V193 PolarHBondContact O-N 2.83Å; R191-V193 VanDerWaalsContact C-N 3.26Å; R191-V193 PolarHBondContact O-N 3.33Å; V193-V204 HydrophobicContact CG1-CG1 4.05Å; V193-V208 HydrophobicContact CG1-CG2 4.05Å
194A88.6Confident85.4Confident0 Ų041 Ų410%021%0.208CC..THydrogen-bonded Turntrans-87.52.517700000115.1Y190 R191 S192 L197 L201 V204Y190-A194 VanDerWaalsContact O-CB 3.27Å; Y190-A194 WeakPolarHBondContact O-CB 3.43Å; Y190-A194 PolarHBondContact O-N 2.95Å; Y190-A194 VanDerWaalsContact O-N 3.1Å; R191-A194 PolarHBondContact O-N 3.34Å; R191-A194 VanDerWaalsContact O-N 3.11Å; S192-A194 VanDerWaalsContact C-N 3.31Å; A194-L197 PolarHBondContact O-N 3.36Å; A194-L201 HydrophobicContact CB-CD1 3.97Å; A194-V204 HydrophobicContact CB-CB 4.46Å; A194-V204 HydrophobicContact CB-CG1 4.24Å; A194-V204 HydrophobicContact CB-CG2 3.93Å
195L86.4Confident86.1Confident60 Ų6037.6 Ų37.631%0.31419%0.191SC..THydrogen-bonded Turntrans-63134174.6-64.9175.1000110.8V121 N161 R191 S192 L197V121-L195 HydrophobicContact CB-CD2 4.47Å; V121-L195 HydrophobicContact CG1-CD2 4.06Å; V121-L195 HydrophobicContact CG2-CD2 3.78Å; N161-L195 PolarHBondContact ND2-O 3.27Å; R191-L195 PolarHBondContact O-N 3.18Å; S192-L195 WeakPolarHBondContact O-CB 3.28Å; S192-L195 WeakPolarHBondContact O-CD1 3.43Å; S192-L195 WeakPolarHBondContact O-CG 3.38Å; S192-L195 PolarHBondContact O-N 3.46Å; L195-L197 PolarHBondContact O-N 2.91Å
196G83.4Confident86.6Confident46 Ų4639.3 Ų39.347%0.47419%0.193SC..THydrogen-bonded Turntrans71-2.6-174.400000115.7
197L86.4Confident87Confident2 Ų240.5 Ų40.51%0.0120%0.197CC..  trans-95.3117.7177.4-67.1-178.8000111.6S122 W150 E154 I157 L158 A194 L195 R199 V204S122-L197 WeakPolarHBondContact CB-O 3.5Å; W150-L197 HydrophobicContact CH2-CD1 4.11Å; W150-L197 HydrophobicContact CZ3-CD1 3.94Å; W150-L197 HydrophobicContact CZ3-CD2 4.48Å; E154-L197 HydrophobicContact CB-CD2 4.09Å; E154-L197 HydrophobicContact CG-CD2 4.37Å; I157-L197 HydrophobicContact CB-CD2 3.97Å; I157-L197 HydrophobicContact CD1-CD2 4.47Å; I157-L197 HydrophobicContact CG2-CD2 3.65Å; I157-L197 HydrophobicContact CG2-CG 3.92Å; L158-L197 HydrophobicContact CB-CD1 4.31Å; L158-L197 HydrophobicContact CD1-CD1 3.6Å; A194-L197 PolarHBondContact O-N 3.36Å; L195-L197 PolarHBondContact O-N 2.91Å; L197-R199 PolarHBondContact O-N 3.38Å; L197-V204 HydrophobicContact CD1-CG1 4.43Å; L197-V204 HydrophobicContact CD1-CG2 4.24Å
198N85.4Confident87.4Confident51 Ų5133.8 Ų33.827%0.27317%0.168SC..  trans-78.957.3174.6-170.110.6000112H143 R144 W145 K146H143-N198 PolarHBondContact CE1-OD1 3.26Å; H143-N198 PolarHBondContact NE2-OD1 3.3Å; R144-N198 PolarHBondContact O-ND2 3.31Å; W145-N198 WeakPolarHBondContact CA-OD1 3.32Å; W145-N198 WeakPolarHBondContact CB-OD1 3.34Å; K146-N198 PolarHBondContact N-O 3.06Å
199R85.9Confident87.4Confident6 Ų633.4 Ų33.42%0.02317%0.166CC..SBendtrans-144.8149.6-178.7-66.6-164.1-179.2-123.3-6.8112.6K146 G148 M149 E154 L197K146-R199 HydrophobicContact CB-CG 4.27Å; G148-R199 PolarHBondContact O-NH1 3.48Å; G148-R199 VanDerWaalsContact O-NH1 3.08Å; M149-R199 PolarHBondContact O-NH1 3.46Å; M149-R199 PolarHBondContact O-NH2 3.32Å; E154-R199 VanDerWaalsContact CD-NH2 3.27Å; E154-R199 IonicContact OE1-CZ 3.45Å; E154-R199 VanDerWaalsContact OE1-CZ 3.31Å; E154-R199 IonicContact OE1-NE 2.73Å; E154-R199 PolarHBondContact OE1-NE 3.27Å; E154-R199 IonicContact OE1-NH2 3.27Å; E154-R199 PolarHBondContact OE1-NH2 3.41Å; E154-R199 IonicContact OE2-CZ 3.9Å; E154-R199 IonicContact OE2-NE 2.66Å; E154-R199 PolarHBondContact OE2-NE 3.07Å; E154-R199 IonicContact OE2-NH2 3.79Å; E154-R199 PolarHBondContact OE2-NH2 3.2Å; L197-R199 PolarHBondContact O-N 3.38Å
200P86.9Confident87.3Confident22 Ų2239.2 Ų39.214%0.14319%0.188CC..  trans-57.5142.1173.1-21.429.3000113.6V124 F202 A203 V204V124-P200 HydrophobicContact CG1-CB 4.09Å; V124-P200 HydrophobicContact CG1-CG 3.63Å; V124-P200 WeakPolarHBondContact O-CA 3.32Å; P200-F202 VanDerWaalsContact C-N 3.26Å; P200-F202 PolarHBondContact O-N 2.82Å; P200-F202 VanDerWaalsContact O-N 3.16Å; P200-A203 WeakPolarHBondContact O-CA 3.47Å; P200-A203 VanDerWaalsContact O-CB 3.26Å; P200-A203 WeakPolarHBondContact O-CB 3.32Å; P200-A203 PolarHBondContact O-N 2.79Å; P200-V204 PolarHBondContact O-N 3.37Å
201L86.5Confident87.1Confident0 Ų041 Ų410%020%0.197CC..Hα-helixtrans-54.4-38.7-177.7-170.961.3000113.2A127 W128 Y190 R191 A194 A203 V204 Y205A127-L201 VanDerWaalsContact O-CB 3.29Å; A127-L201 WeakPolarHBondContact O-CB 3.24Å; W128-L201 HydrophobicContact CD2-CD2 3.86Å; W128-L201 HydrophobicContact CD2-CG 4.33Å; W128-L201 HydrophobicContact CG-CD2 3.89Å; W128-L201 HydrophobicContact CZ2-CD2 4.42Å; Y190-L201 WeakPolarHBondContact O-CD1 3.18Å; R191-L201 HydrophobicContact CG-CD1 4.39Å; R191-L201 HydrophobicContact CG-CD2 4.15Å; A194-L201 HydrophobicContact CB-CD1 3.97Å; L201-A203 VanDerWaalsContact C-N 3.3Å; L201-A203 PolarHBondContact O-N 3.48Å; L201-V204 WeakPolarHBondContact O-CB 3.44Å; L201-V204 PolarHBondContact O-N 3.33Å; L201-Y205 WeakPolarHBondContact O-CB 3.32Å; L201-Y205 PolarHBondContact O-N 3.18Å
202F86.4Confident86.9Confident54 Ų5438 Ų3824%0.23719%0.186CC..Hα-helixtrans-70.4-21.6176.4-173.5-132.9000114W128 F129 P200 Y205 R206W128-F202 WeakPolarHBondContact O-CB 3.5Å; F129-F202 HydrophobicContact CD1-CD1 4.32Å; F129-F202 AromaticContact CE1-CD1 3.82Å; F129-F202 HydrophobicContact CE1-CD1 3.82Å; F129-F202 AromaticContact CE1-CE1 3.83Å; F129-F202 HydrophobicContact CE1-CE1 3.83Å; F129-F202 HydrophobicContact CE1-CG 4.2Å; F129-F202 HydrophobicContact CE1-CZ 4.25Å; P200-F202 VanDerWaalsContact C-N 3.26Å; P200-F202 PolarHBondContact O-N 2.82Å; P200-F202 VanDerWaalsContact O-N 3.16Å; F202-Y205 AromaticContact CD2-CD1 3.63Å; F202-Y205 HydrophobicContact CD2-CD1 3.63Å; F202-Y205 HydrophobicContact CD2-CE1 4.25Å; F202-Y205 HydrophobicContact CD2-CG 4.45Å; F202-Y205 AromaticContact CE2-CD1 3.8Å; F202-Y205 HydrophobicContact CE2-CD1 3.8Å; F202-Y205 AromaticContact CE2-CE1 3.98Å; F202-Y205 HydrophobicContact CE2-CE1 3.98Å; F202-R206 VanDerWaalsContact CE1-NH2 3.27Å; F202-R206 HydrophobicContact CE2-CG 4.49Å; F202-R206 WeakPolarHBondContact O-CB 3.23Å; F202-R206 WeakPolarHBondContact O-CD 3.42Å; F202-R206 VanDerWaalsContact O-CG 3.25Å; F202-R206 WeakPolarHBondContact O-CG 3.48Å; F202-R206 PolarHBondContact O-N 2.85Å; F202-R206 VanDerWaalsContact O-N 3.16Å
203A87.4Confident86.5Confident31 Ų3138.4 Ų38.426%0.25619%0.186SC..Hα-helixtrans-74.8-39169.400000111.1P200 L201 R206 R207P200-A203 WeakPolarHBondContact O-CA 3.47Å; P200-A203 VanDerWaalsContact O-CB 3.26Å; P200-A203 WeakPolarHBondContact O-CB 3.32Å; P200-A203 PolarHBondContact O-N 2.79Å; L201-A203 VanDerWaalsContact C-N 3.3Å; L201-A203 PolarHBondContact O-N 3.48Å; A203-R206 PolarHBondContact O-N 3.31Å; A203-R207 PolarHBondContact O-N 3.15Å
204V89.1Confident85.8Confident0 Ų044.8 Ų44.80%022%0.221CC..Hα-helixtrans-60.9-54.3172.6-176.70000110.1W150 L158 V193 A194 L197 P200 L201 R206 R207 V208W150-V204 HydrophobicContact CH2-CG2 4.21Å; L158-V204 HydrophobicContact CD1-CG1 3.61Å; V193-V204 HydrophobicContact CG1-CG1 4.05Å; A194-V204 HydrophobicContact CB-CB 4.46Å; A194-V204 HydrophobicContact CB-CG1 4.24Å; A194-V204 HydrophobicContact CB-CG2 3.93Å; L197-V204 HydrophobicContact CD1-CG1 4.43Å; L197-V204 HydrophobicContact CD1-CG2 4.24Å; P200-V204 PolarHBondContact O-N 3.37Å; L201-V204 WeakPolarHBondContact O-CB 3.44Å; L201-V204 PolarHBondContact O-N 3.33Å; V204-R206 VanDerWaalsContact C-N 3.32Å; V204-R206 PolarHBondContact O-N 3.37Å; V204-R207 WeakPolarHBondContact O-CA 3.3Å; V204-R207 WeakPolarHBondContact O-CB 3.4Å; V204-R207 PolarHBondContact O-N 3.4Å; V204-V208 HydrophobicContact CG1-CG2 4.31Å; V204-V208 WeakPolarHBondContact O-CG2 3.39Å; V204-V208 PolarHBondContact O-N 3.49Å
205Y88.5Confident85.1Confident58 Ų5849.5 Ų49.523%0.22724%0.238CC..Hα-helixtrans-47.9-50.3173.1171.7-104.8000112.8W128 Y190 L201 F202 R207 L209W128-Y205 AromaticContact CH2-CD2 3.87Å; W128-Y205 HydrophobicContact CH2-CD2 3.87Å; W128-Y205 HydrophobicContact CH2-CE2 4.41Å; W128-Y205 HydrophobicContact CH2-CG 4.24Å; W128-Y205 HydrophobicContact CZ3-CD1 4.3Å; W128-Y205 AromaticContact CZ3-CD2 3.85Å; W128-Y205 HydrophobicContact CZ3-CD2 3.85Å; W128-Y205 HydrophobicContact CZ3-CE2 4.44Å; W128-Y205 AromaticContact CZ3-CG 3.77Å; W128-Y205 HydrophobicContact CZ3-CG 3.77Å; Y190-Y205 HydrophobicContact CD1-CD2 4.14Å; Y190-Y205 HydrophobicContact CD2-CD2 4.34Å; Y190-Y205 AromaticContact CE1-CD2 3.66Å; Y190-Y205 HydrophobicContact CE1-CD2 3.66Å; Y190-Y205 HydrophobicContact CE1-CG 4.47Å; Y190-Y205 AromaticContact CE2-CD2 3.9Å; Y190-Y205 HydrophobicContact CE2-CD2 3.9Å; Y190-Y205 HydrophobicContact CE2-CE2 4.25Å; Y190-Y205 HydrophobicContact CG-CD2 4.46Å; Y190-Y205 AromaticContact CZ-CD2 3.54Å; Y190-Y205 AromaticContact CZ-CE2 3.99Å; L201-Y205 WeakPolarHBondContact O-CB 3.32Å; L201-Y205 PolarHBondContact O-N 3.18Å; F202-Y205 AromaticContact CD2-CD1 3.63Å; F202-Y205 HydrophobicContact CD2-CD1 3.63Å; F202-Y205 HydrophobicContact CD2-CE1 4.25Å; F202-Y205 HydrophobicContact CD2-CG 4.45Å; F202-Y205 AromaticContact CE2-CD1 3.8Å; F202-Y205 HydrophobicContact CE2-CD1 3.8Å; F202-Y205 AromaticContact CE2-CE1 3.98Å; F202-Y205 HydrophobicContact CE2-CE1 3.98Å; Y205-R207 VanDerWaalsContact C-N 3.27Å; Y205-R207 PolarHBondContact O-N 2.92Å; Y205-L209 HydrophobicContact CD1-CD1 4.06Å; Y205-L209 HydrophobicContact CD2-CD1 4.26Å; Y205-L209 HydrophobicContact CE1-CD1 3.55Å; Y205-L209 HydrophobicContact CE2-CD1 3.78Å; Y205-L209 HydrophobicContact CE2-CG 4.36Å; Y205-L209 HydrophobicContact CG-CD1 4.39Å; Y205-L209 VanDerWaalsContact CZ-CD1 3.4Å; Y205-L209 WeakPolarHBondContact O-CB 3.48Å; Y205-L209 PolarHBondContact O-N 3.15Å
206R88.7Confident84.4Confident135 Ų13549.1 Ų49.151%0.50924%0.236SC..Hα-helixtrans-69-17.2176.9-77171.7165.2179.1-4.4114.1F202 A203 V204 R210F202-R206 VanDerWaalsContact CE1-NH2 3.27Å; F202-R206 HydrophobicContact CE2-CG 4.49Å; F202-R206 WeakPolarHBondContact O-CB 3.23Å; F202-R206 WeakPolarHBondContact O-CD 3.42Å; F202-R206 VanDerWaalsContact O-CG 3.25Å; F202-R206 WeakPolarHBondContact O-CG 3.48Å; F202-R206 PolarHBondContact O-N 2.85Å; F202-R206 VanDerWaalsContact O-N 3.16Å; A203-R206 PolarHBondContact O-N 3.31Å; V204-R206 VanDerWaalsContact C-N 3.32Å; V204-R206 PolarHBondContact O-N 3.37Å; R206-R210 VanDerWaalsContact O-CZ 3.25Å; R206-R210 PolarHBondContact O-NE 2.63Å; R206-R210 PolarHBondContact O-NH2 2.81Å
207R90.1Very high83.7Confident63 Ų6352.6 Ų52.624%0.23824%0.24CC..Hα-helixtrans-84.3-52.3173.8176.463.1-177.4159.98.2109.9W150 I155 L158 A203 V204 Y205 L209 R210 M211W150-R207 HydrophobicContact CD2-CB 4.28Å; W150-R207 HydrophobicContact CD2-CG 3.77Å; W150-R207 HydrophobicContact CE3-CG 3.96Å; W150-R207 HydrophobicContact CG-CG 4.42Å; W150-R207 HydrophobicContact CH2-CB 3.85Å; W150-R207 HydrophobicContact CH2-CG 3.95Å; W150-R207 HydrophobicContact CZ2-CB 3.37Å; W150-R207 HydrophobicContact CZ2-CG 3.75Å; W150-R207 HydrophobicContact CZ3-CB 4.46Å; W150-R207 HydrophobicContact CZ3-CG 4.05Å; I155-R207 VanDerWaalsContact CD1-NH2 3.28Å; L158-R207 HydrophobicContact CD2-CB 4.33Å; L158-R207 HydrophobicContact CD2-CG 3.55Å; A203-R207 PolarHBondContact O-N 3.15Å; V204-R207 WeakPolarHBondContact O-CA 3.3Å; V204-R207 WeakPolarHBondContact O-CB 3.4Å; V204-R207 PolarHBondContact O-N 3.4Å; Y205-R207 VanDerWaalsContact C-N 3.27Å; Y205-R207 PolarHBondContact O-N 2.92Å; R207-L209 PolarHBondContact O-N 3.27Å; R207-R210 PolarHBondContact O-N 3.5Å; R207-M211 HydrophobicContact CG-SD 3.85Å; R207-M211 VanDerWaalsContact CZ-SD 3.58Å; R207-M211 PolarHBondContact NE-SD 3.23Å; R207-M211 PolarHBondContact O-N 2.92Å
208V89.1Confident83.2Confident0 Ų056 Ų560%026%0.261CS..Hα-helixtrans-51.9-53.5177.1175.40000110.9L158 I162 I178 F189 Y190 V193 V204 R210 M211 Y212L158-V208 HydrophobicContact CD1-CG2 3.91Å; L158-V208 HydrophobicContact CD2-CG2 4.04Å; L158-V208 HydrophobicContact CG-CG2 4.22Å; I162-V208 HydrophobicContact CD1-CG1 4.34Å; I162-V208 HydrophobicContact CD1-CG2 4.19Å; I178-V208 HydrophobicContact CD1-CG1 3.41Å; I178-V208 VanDerWaalsContact CD1-CG1 3.41Å; I178-V208 HydrophobicContact CG1-CG1 3.75Å; I178-V208 HydrophobicContact CG2-CG1 4.47Å; F189-V208 HydrophobicContact CE1-CG1 4.22Å; F189-V208 HydrophobicContact CZ-CG1 4.4Å; Y190-V208 HydrophobicContact CE1-CB 4.22Å; Y190-V208 HydrophobicContact CE1-CG1 4.12Å; V193-V208 HydrophobicContact CG1-CG2 4.05Å; V204-V208 HydrophobicContact CG1-CG2 4.31Å; V204-V208 WeakPolarHBondContact O-CG2 3.39Å; V204-V208 PolarHBondContact O-N 3.49Å; V208-R210 PolarHBondContact O-N 2.84Å; V208-R210 VanDerWaalsContact O-N 3.09Å; V208-M211 PolarHBondContact O-N 3.44Å; V208-Y212 HydrophobicContact CG1-CD2 4.21Å; V208-Y212 HydrophobicContact CG1-CE2 4.43Å; V208-Y212 WeakPolarHBondContact O-CD2 3.42Å; V208-Y212 PolarHBondContact O-N 3.16Å
209L86.4Confident83Confident39 Ų3956 Ų5620%0.20427%0.273CS..Hα-helixtrans-53-35.7177.7-83.1172.5000114I178 F179 Y205 R207 D213I178-L209 HydrophobicContact CG2-CD2 3.72Å; I178-L209 HydrophobicContact CG2-CG 4.47Å; F179-L209 HydrophobicContact CD1-CD2 4.31Å; F179-L209 HydrophobicContact CE1-CD2 3.6Å; F179-L209 HydrophobicContact CZ-CD2 4.14Å; Y205-L209 HydrophobicContact CD1-CD1 4.06Å; Y205-L209 HydrophobicContact CD2-CD1 4.26Å; Y205-L209 HydrophobicContact CE1-CD1 3.55Å; Y205-L209 HydrophobicContact CE2-CD1 3.78Å; Y205-L209 HydrophobicContact CE2-CG 4.36Å; Y205-L209 HydrophobicContact CG-CD1 4.39Å; Y205-L209 VanDerWaalsContact CZ-CD1 3.4Å; Y205-L209 WeakPolarHBondContact O-CB 3.48Å; Y205-L209 PolarHBondContact O-N 3.15Å; R207-L209 PolarHBondContact O-N 3.27Å; L209-D213 WeakPolarHBondContact O-CB 3.33Å; L209-D213 PolarHBondContact O-N 2.93Å
210R84.1Confident82.9Confident122 Ų12265.2 Ų65.246%0.4631%0.313SS..Hα-helixtrans-91.61.4-178.2-75.7178.5-64.5168.95.4114R206 R207 V208 N216 H217R206-R210 VanDerWaalsContact O-CZ 3.25Å; R206-R210 PolarHBondContact O-NE 2.63Å; R206-R210 PolarHBondContact O-NH2 2.81Å; R207-R210 PolarHBondContact O-N 3.5Å; V208-R210 PolarHBondContact O-N 2.84Å; V208-R210 VanDerWaalsContact O-N 3.09Å; R210-N216 PolarHBondContact O-ND2 3.47Å; R210-N216 VanDerWaalsContact O-ND2 3.17Å; R210-H217 PolarHBondContact O-NE2 3.44Å
211M83.9Confident82.9Confident41 Ų4166 Ų6620%0.20231%0.314CS..Hα-helixtrans-95.2-32.5171.6-76.7172.652.200111.9I155 L158 I159 R207 V208I155-M211 HydrophobicContact CG2-CE 4.24Å; L158-M211 HydrophobicContact CD2-CE 4.21Å; L158-M211 HydrophobicContact CD2-SD 3.63Å; I159-M211 HydrophobicContact CD1-CE 4.14Å; I159-M211 HydrophobicContact CG1-CE 3.78Å; R207-M211 HydrophobicContact CG-SD 3.85Å; R207-M211 VanDerWaalsContact CZ-SD 3.58Å; R207-M211 PolarHBondContact NE-SD 3.23Å; R207-M211 PolarHBondContact O-N 2.92Å; V208-M211 PolarHBondContact O-N 3.44Å
212Y83.3Confident82.9Confident48 Ų4868.7 Ų68.719%0.18833%0.33CS..Hα-helixtrans-112.8-1.5-175.9-57.8-82.4000114.1I162 P174 I178 F179 V208 D214I162-Y212 HydrophobicContact CD1-CE2 3.71Å; P174-Y212 HydrophobicContact CB-CD1 3.69Å; P174-Y212 HydrophobicContact CB-CE1 3.54Å; P174-Y212 HydrophobicContact CB-CE2 4.41Å; P174-Y212 HydrophobicContact CB-CG 4.19Å; P174-Y212 HydrophobicContact CG-CD1 4.03Å; P174-Y212 HydrophobicContact CG-CE1 3.53Å; I178-Y212 HydrophobicContact CD1-CD2 3.31Å; I178-Y212 HydrophobicContact CD1-CE2 4Å; I178-Y212 HydrophobicContact CD1-CG 3.64Å; F179-Y212 WeakPolarHBondContact CE2-O 3.41Å; V208-Y212 HydrophobicContact CG1-CD2 4.21Å; V208-Y212 HydrophobicContact CG1-CE2 4.43Å; V208-Y212 WeakPolarHBondContact O-CD2 3.42Å; V208-Y212 PolarHBondContact O-N 3.16Å; Y212-D214 PolarHBondContact O-N 2.96Å
213D79.3Confident82.9Confident29 Ų2970.5 Ų70.516%0.15535%0.347CS..  trans-79.993.2168.9174.212.4000109.7F179 L209 R215 N216 H217 S250F179-D213 HydrophobicContact CE1-CB 4.35Å; F179-D213 HydrophobicContact CZ-CB 3.83Å; L209-D213 WeakPolarHBondContact O-CB 3.33Å; L209-D213 PolarHBondContact O-N 2.93Å; D213-R215 PolarHBondContact O-N 2.67Å; D213-R215 WeakPolarHBondContact OD1-CA 3.46Å; D213-R215 WeakPolarHBondContact OD1-CB 3.33Å; D213-R215 PolarHBondContact OD1-N 2.99Å; D213-N216 HydrophobicContact CB-CB 4.09Å; D213-N216 WeakPolarHBondContact O-CB 3.21Å; D213-N216 PolarHBondContact O-N 3.42Å; D213-N216 PolarHBondContact OD1-N 3.08Å; D213-H217 PolarHBondContact O-CD2 3.19Å; D213-S250 WeakPolarHBondContact OD2-CB 3.36Å
214D75.5Confident83Confident134 Ų13474.9 Ų74.972%0.71736%0.363SS*.G310 helixtrans-51.2-32.9176-70.2-30.8000112.8Y212 N216 H217Y212-D214 PolarHBondContact O-N 2.96Å; D214-N216 PolarHBondContact O-N 3.5Å; D214-H217 PolarHBondContact O-N 3.2Å
215R74.3Confident83Confident98 Ų9876.6 Ų76.637%0.3737%0.37SS..G310 helixtrans-73.1-6.8-178.4-41.7176.760.6153.30.5112.7D213 G244 A245 G248 S250D213-R215 PolarHBondContact O-N 2.67Å; D213-R215 WeakPolarHBondContact OD1-CA 3.46Å; D213-R215 WeakPolarHBondContact OD1-CB 3.33Å; D213-R215 PolarHBondContact OD1-N 2.99Å; R215-G244 PolarHBondContact NH2-O 3.48Å; R215-A245 VanDerWaalsContact NH2-CA 3.32Å; R215-A245 PolarHBondContact NH2-O 2.68Å; R215-G248 WeakPolarHBondContact CB-O 3.26Å; R215-G248 PolarHBondContact NE-O 2.72Å; R215-G248 VanDerWaalsContact NH2-CA 3.31Å; R215-G248 PolarHBondContact NH2-O 3.4Å; R215-S250 PolarHBondContact O-N 2.86Å
216N72.4Confident83.1Confident52 Ų5275.5 Ų75.528%0.27837%0.368SS..G310 helixtrans-80.1-23.8167.9-170.752.6000112.1R210 D213 D214R210-N216 PolarHBondContact O-ND2 3.47Å; R210-N216 VanDerWaalsContact O-ND2 3.17Å; D213-N216 HydrophobicContact CB-CB 4.09Å; D213-N216 WeakPolarHBondContact O-CB 3.21Å; D213-N216 PolarHBondContact O-N 3.42Å; D213-N216 PolarHBondContact OD1-N 3.08Å; D214-N216 PolarHBondContact O-N 3.5Å
217H68.8Low83.1Confident120 Ų12075.6 Ų75.656%0.55637%0.374SS*.  trans-97.81.4-169.8-63.9-74000115.1R210 D213 D214 G219R210-H217 PolarHBondContact O-NE2 3.44Å; D213-H217 PolarHBondContact O-CD2 3.19Å; D214-H217 PolarHBondContact O-N 3.2Å; H217-G219 PolarHBondContact O-N 3.01Å
218V76.1Confident83.2Confident72 Ų7277.9 Ų77.944%0.43639%0.386SS..SBendtrans-61-2.3-179-168.90000114.2R249V218-R249 HydrophobicContact CB-CG 4.17Å; V218-R249 HydrophobicContact CG1-CG 4.19Å; V218-R249 HydrophobicContact CG2-CG 4.26Å
219G79.9Confident83.3Confident52 Ų5277.9 Ų77.954%0.53639%0.386SS..  trans78.4-146.7169.200000114.7H217 R249H217-G219 PolarHBondContact O-N 3.01Å; G219-R249 PolarHBondContact O-NH1 3.3Å
220K85Confident83.4Confident199 Ų19980.7 Ų80.787%0.86540%0.397SS*.SBendtrans-68.6147.5-176.9-64.3175.9-175.1169.70110.9R249K220-R249 PolarHBondContact O-NH2 3.45Å
221Y86.5Confident83.8Confident40 Ų4077.6 Ų77.616%0.15740%0.397CS..PPolyproline II helixtrans-77132.9170.5-81.1-98.8000111E225 L229 R249 S253 V254 R257Y221-E225 VanDerWaalsContact CA-OE2 3.28Å; Y221-E225 WeakPolarHBondContact CA-OE2 3.41Å; Y221-E225 HydrophobicContact CD1-CB 4.06Å; Y221-L229 HydrophobicContact CE1-CD2 4.49Å; Y221-R249 VanDerWaalsContact CE1-CD 3.42Å; Y221-R249 WeakPolarHBondContact OH-CD 3.32Å; Y221-S253 VanDerWaalsContact OH-C 3.23Å; Y221-S253 PolarHBondContact OH-O 3.28Å; Y221-S253 PolarHBondContact OH-OG 3.39Å; Y221-V254 WeakPolarHBondContact OH-CA 3.49Å; Y221-V254 WeakPolarHBondContact OH-CG2 3.4Å; Y221-V254 PolarHBondContact OH-N 3.01Å; Y221-R257 HydrophobicContact CD1-CG 3.97Å; Y221-R257 HydrophobicContact CD2-CB 4.23Å; Y221-R257 HydrophobicContact CD2-CG 3.82Å; Y221-R257 HydrophobicContact CE1-CB 4.27Å; Y221-R257 HydrophobicContact CE1-CG 3.92Å; Y221-R257 HydrophobicContact CE2-CB 3.7Å; Y221-R257 HydrophobicContact CE2-CG 3.78Å; Y221-R257 HydrophobicContact CG-CG 3.92Å
222T87.1Confident84.2Confident56 Ų5676.9 Ų76.934%0.34439%0.394SS..PPolyproline II helixtrans-81.2160.4171.884.50000111.1E224 E225 I226T222-E224 VanDerWaalsContact C-N 3.26Å; T222-E224 WeakPolarHBondContact CB-OE2 3.49Å; T222-E224 PolarHBondContact O-N 3.39Å; T222-E224 PolarHBondContact OG1-N 3.31Å; T222-E224 PolarHBondContact OG1-OE2 2.7Å; T222-E225 PolarHBondContact N-OE2 2.84Å; T222-E225 PolarHBondContact O-N 2.89Å; T222-E225 WeakPolarHBondContact OG1-CG 3.28Å; T222-E225 PolarHBondContact OG1-N 3.38Å; T222-I226 VanDerWaalsContact O-CD1 3.25Å; T222-I226 WeakPolarHBondContact O-CD1 3.42Å; T222-I226 WeakPolarHBondContact O-CG1 3.25Å; T222-I226 PolarHBondContact O-N 2.9Å
223P86.1Confident84.6Confident91 Ų9180.6 Ų80.659%0.59141%0.408SS*.Hα-helixtrans-61.3-32.7176.923.1-30.5000113.2I226 E227P223-I226 WeakPolarHBondContact O-CB 3.43Å; P223-I226 PolarHBondContact O-N 3.41Å; P223-E227 PolarHBondContact O-N 2.84Å
224E88.7Confident85.2Confident124 Ų12487.5 Ų87.558%0.57944%0.439SS*.Hα-helixtrans-68.9-41.1177.5-49.875.3-164.100111.2T222 I226 E227 K228T222-E224 VanDerWaalsContact C-N 3.26Å; T222-E224 WeakPolarHBondContact CB-OE2 3.49Å; T222-E224 PolarHBondContact O-N 3.39Å; T222-E224 PolarHBondContact OG1-N 3.31Å; T222-E224 PolarHBondContact OG1-OE2 2.7Å; E224-I226 VanDerWaalsContact C-N 3.28Å; E224-I226 PolarHBondContact O-N 2.91Å; E224-E227 PolarHBondContact O-N 3.43Å; E224-K228 VanDerWaalsContact O-CB 3.29Å; E224-K228 WeakPolarHBondContact O-CB 3.39Å; E224-K228 PolarHBondContact O-N 2.96Å
225E90.2Very high86Confident35 Ų3588.9 Ų88.916%0.16444%0.439CS..Hα-helixtrans-65.2-32.8172.1-68.1178.2120.400112.3Y221 T222 L229 R249Y221-E225 VanDerWaalsContact CA-OE2 3.28Å; Y221-E225 WeakPolarHBondContact CA-OE2 3.41Å; Y221-E225 HydrophobicContact CD1-CB 4.06Å; T222-E225 PolarHBondContact N-OE2 2.84Å; T222-E225 PolarHBondContact O-N 2.89Å; T222-E225 WeakPolarHBondContact OG1-CG 3.28Å; T222-E225 PolarHBondContact OG1-N 3.38Å; E225-L229 WeakPolarHBondContact O-CB 3.43Å; E225-L229 PolarHBondContact O-N 3.37Å; E225-R249 VanDerWaalsContact CD-NH2 3.25Å; E225-R249 IonicContact OE1-CZ 3.75Å; E225-R249 VanDerWaalsContact OE1-CZ 3.27Å; E225-R249 IonicContact OE1-NE 3.5Å; E225-R249 PolarHBondContact OE1-NE 3.5Å; E225-R249 IonicContact OE1-NH2 3.34Å; E225-R249 PolarHBondContact OE1-NH2 3.46Å; E225-R249 IonicContact OE2-CZ 2.76Å; E225-R249 IonicContact OE2-NE 3.38Å; E225-R249 PolarHBondContact OE2-NE 3.44Å; E225-R249 IonicContact OE2-NH2 2.69Å; E225-R249 PolarHBondContact OE2-NH2 2.87Å
226I89.1Confident86.8Confident35 Ų3587.3 Ų87.318%0.17944%0.436CS..Hα-helixtrans-68.7-42.4176.6-71.5158.5000110.4T222 P223 E224 L229 K230 M261T222-I226 VanDerWaalsContact O-CD1 3.25Å; T222-I226 WeakPolarHBondContact O-CD1 3.42Å; T222-I226 WeakPolarHBondContact O-CG1 3.25Å; T222-I226 PolarHBondContact O-N 2.9Å; P223-I226 WeakPolarHBondContact O-CB 3.43Å; P223-I226 PolarHBondContact O-N 3.41Å; E224-I226 VanDerWaalsContact C-N 3.28Å; E224-I226 PolarHBondContact O-N 2.91Å; I226-L229 WeakPolarHBondContact O-CB 3.48Å; I226-L229 PolarHBondContact O-N 3.45Å; I226-K230 WeakPolarHBondContact O-CG 3.21Å; I226-K230 PolarHBondContact O-N 2.78Å; I226-K230 VanDerWaalsContact O-N 3.15Å; I226-M261 HydrophobicContact CG2-CE 3.76Å; I226-M261 HydrophobicContact CG2-SD 4.05Å
227E89.6Confident87.6Confident138 Ų13886.4 Ų86.465%0.64544%0.439SS*.Hα-helixtrans-66.8-48174.6-177.2168.6-148.600111.7P223 E224 L229 K230 A231P223-E227 PolarHBondContact O-N 2.84Å; E224-E227 PolarHBondContact O-N 3.43Å; E227-L229 PolarHBondContact O-N 3.4Å; E227-K230 WeakPolarHBondContact O-CB 3.24Å; E227-K230 PolarHBondContact O-N 3.33Å; E227-A231 PolarHBondContact O-N 2.87Å; E227-A231 VanDerWaalsContact O-N 3.1Å
228K91.5Very high88.7Confident110 Ų11086 Ų8648%0.47844%0.441SS..Hα-helixtrans-58.9-36.4175.2-169.5175.7178.6-1660111.8E224 L232 A246 L247E224-K228 VanDerWaalsContact O-CB 3.29Å; E224-K228 WeakPolarHBondContact O-CB 3.39Å; E224-K228 PolarHBondContact O-N 2.96Å; K228-L232 HydrophobicContact CG-CD1 3.94Å; K228-L232 HydrophobicContact CG-CG 4.39Å; K228-L232 VanDerWaalsContact O-CB 3.27Å; K228-L232 WeakPolarHBondContact O-CB 3.39Å; K228-L232 WeakPolarHBondContact O-CG 3.44Å; K228-L232 PolarHBondContact O-N 3.05Å; K228-A246 WeakPolarHBondContact CE-O 3.47Å; K228-A246 PolarHBondContact NZ-O 3.04Å; K228-L247 HydrophobicContact CB-CD2 3.96Å; K228-L247 HydrophobicContact CD-CD2 3.85Å; K228-L247 HydrophobicContact CG-CD2 3.81Å
229L91.3Very high89.4Confident1 Ų185.7 Ų85.71%0.00544%0.436CS..Hα-helixtrans-62.5-42171.7172.752.7000112.4Y221 E225 I226 E227 R233 I243 L247 V254 R257 M261Y221-L229 HydrophobicContact CE1-CD2 4.49Å; E225-L229 WeakPolarHBondContact O-CB 3.43Å; E225-L229 PolarHBondContact O-N 3.37Å; I226-L229 WeakPolarHBondContact O-CB 3.48Å; I226-L229 PolarHBondContact O-N 3.45Å; E227-L229 PolarHBondContact O-N 3.4Å; L229-R233 WeakPolarHBondContact O-CB 3.42Å; L229-R233 PolarHBondContact O-N 3.28Å; L229-I243 HydrophobicContact CD1-CG2 3.66Å; L229-L247 HydrophobicContact CB-CD1 3.95Å; L229-L247 HydrophobicContact CD1-CD1 4.04Å; L229-L247 HydrophobicContact CG-CD1 4.46Å; L229-V254 HydrophobicContact CD1-CG1 3.56Å; L229-R257 HydrophobicContact CD2-CB 4.2Å; L229-R257 HydrophobicContact CD2-CG 3.74Å; L229-M261 HydrophobicContact CD2-CE 4.25Å; L229-M261 HydrophobicContact CD2-SD 3.77Å; L229-M261 HydrophobicContact CG-CE 4.37Å
230K89.5Confident90Very high97 Ų9785.3 Ų85.342%0.42242%0.419SS..Hα-helixtrans-60.6-52.6175.6-64.8179.7-168.5-162.80111.2I226 E227 L232 R233 E234 M261 E263I226-K230 WeakPolarHBondContact O-CG 3.21Å; I226-K230 PolarHBondContact O-N 2.78Å; I226-K230 VanDerWaalsContact O-N 3.15Å; E227-K230 WeakPolarHBondContact O-CB 3.24Å; E227-K230 PolarHBondContact O-N 3.33Å; K230-L232 PolarHBondContact O-N 3.43Å; K230-R233 WeakPolarHBondContact O-CB 3.38Å; K230-R233 PolarHBondContact O-N 2.68Å; K230-R233 VanDerWaalsContact O-N 3.16Å; K230-E234 PolarHBondContact O-N 2.69Å; K230-M261 HydrophobicContact CG-CE 3.89Å; K230-E263 WeakPolarHBondContact CD-OE1 3.33Å; K230-E263 WeakPolarHBondContact CE-OE1 3.38Å; K230-E263 IonicContact NZ-OE1 2.64Å; K230-E263 PolarHBondContact NZ-OE1 2.93Å
231A92.2Very high90.3Very high58 Ų5878.9 Ų78.948%0.47940%0.403SS..Hα-helixtrans-62.3-41-178.600000112.5E227 E234 K235E227-A231 PolarHBondContact O-N 2.87Å; E227-A231 VanDerWaalsContact O-N 3.1Å; A231-E234 PolarHBondContact O-N 3.25Å; A231-K235 WeakPolarHBondContact O-CB 3.47Å; A231-K235 PolarHBondContact O-N 3.05Å; A231-K235 VanDerWaalsContact O-N 3.09Å
232L92.6Very high90.5Very high25 Ų2579.7 Ų79.713%0.13141%0.412CS..Hα-helixtrans-67-36175.1-73.4171.2000112.5K228 K230 K235 H236 I243 A246 L247K228-L232 HydrophobicContact CG-CD1 3.94Å; K228-L232 HydrophobicContact CG-CG 4.39Å; K228-L232 VanDerWaalsContact O-CB 3.27Å; K228-L232 WeakPolarHBondContact O-CB 3.39Å; K228-L232 WeakPolarHBondContact O-CG 3.44Å; K228-L232 PolarHBondContact O-N 3.05Å; K230-L232 PolarHBondContact O-N 3.43Å; L232-K235 PolarHBondContact O-N 2.93Å; L232-H236 WeakPolarHBondContact O-CB 3.28Å; L232-H236 PolarHBondContact O-CD2 3.33Å; L232-H236 PolarHBondContact O-N 3.2Å; L232-I243 HydrophobicContact CB-CB 4.49Å; L232-I243 HydrophobicContact CB-CG1 4.14Å; L232-I243 HydrophobicContact CB-CG2 3.88Å; L232-I243 HydrophobicContact CD1-CG2 4.22Å; L232-A246 HydrophobicContact CD1-CB 3.74Å; L232-A246 HydrophobicContact CD2-CB 4.11Å; L232-L247 HydrophobicContact CD1-CD2 4.02Å; L232-L247 HydrophobicContact CD1-CG 3.88Å
233R90.7Very high90.7Very high126 Ų12677 Ų7748%0.47540%0.396SS..Hα-helixtrans-68.9-38.1174.7-173.5-152.8176.8-143.4-5112.1L229 K230 K235 G237 I243 C258L229-R233 WeakPolarHBondContact O-CB 3.42Å; L229-R233 PolarHBondContact O-N 3.28Å; K230-R233 WeakPolarHBondContact O-CB 3.38Å; K230-R233 PolarHBondContact O-N 2.68Å; K230-R233 VanDerWaalsContact O-N 3.16Å; R233-K235 VanDerWaalsContact C-N 3.32Å; R233-G237 VanDerWaalsContact CG-O 3.29Å; R233-G237 WeakPolarHBondContact CG-O 3.33Å; R233-G237 WeakPolarHBondContact O-CA 3.44Å; R233-G237 PolarHBondContact O-N 2.76Å; R233-I243 HydrophobicContact CB-CD1 4.42Å; R233-C258 VanDerWaalsContact CD-SG 3.56Å
234E91.4Very high90.9Very high175 Ų17572.7 Ų72.782%0.81837%0.368SS*.Hα-helixtrans-63.4-40.6174.7-173.8168.4-155.400111.2K230 A231K230-E234 PolarHBondContact O-N 2.69Å; A231-E234 PolarHBondContact O-N 3.25Å
235K93.5Very high91Very high162 Ų16269.7 Ų69.770%0.70436%0.364SS*.Hα-helixtrans-78-38.5179.3-176.2-179.5172.3-171.90115A231 L232 R233A231-K235 WeakPolarHBondContact O-CB 3.47Å; A231-K235 PolarHBondContact O-N 3.05Å; A231-K235 VanDerWaalsContact O-N 3.09Å; L232-K235 PolarHBondContact O-N 2.93Å; R233-K235 VanDerWaalsContact C-N 3.32Å
236H90.1Very high91Very high66 Ų6670 Ų7031%0.30637%0.372SS..Hα-helixtrans-114.95.1-172-62.8-92.2000113.8L232 N238 D239 I243L232-H236 WeakPolarHBondContact O-CB 3.28Å; L232-H236 PolarHBondContact O-CD2 3.33Å; L232-H236 PolarHBondContact O-N 3.2Å; H236-N238 PolarHBondContact O-N 2.97Å; H236-D239 PolarHBondContact O-N 3.09Å; H236-I243 HydrophobicContact CB-CD1 4.3Å; H236-I243 HydrophobicContact CB-CG1 4.04Å
237G89.9Confident91Very high33 Ų3369 Ų6934%0.3437%0.367SS..THydrogen-bonded Turntrans61.9-118.7178.100000113.1R233R233-G237 VanDerWaalsContact CG-O 3.29Å; R233-G237 WeakPolarHBondContact CG-O 3.33Å; R233-G237 WeakPolarHBondContact O-CA 3.44Å; R233-G237 PolarHBondContact O-N 2.76Å
238N91.4Very high90.9Very high112 Ų11264.4 Ų64.460%0.59936%0.357SS*.THydrogen-bonded Turntrans-105.219.6-179.1-65.3-41.7000112.9H236 W240H236-N238 PolarHBondContact O-N 2.97Å; N238-W240 VanDerWaalsContact C-N 3.29Å; N238-W240 HydrophobicContact CB-CZ2 3.86Å; N238-W240 PolarHBondContact O-N 2.93Å; N238-W240 PolarHBondContact O-NE1 2.87Å; N238-W240 VanDerWaalsContact O-NE1 3.09Å; N238-W240 VanDerWaalsContact OD1-CZ2 3.31Å; N238-W240 WeakPolarHBondContact OD1-CZ2 3.25Å
239D92.1Very high90.8Very high65 Ų6559.5 Ų59.535%0.34834%0.336SS..  trans-75.481.3172.6-177.80.4000111.2H236 A241 T242 I243H236-D239 PolarHBondContact O-N 3.09Å; D239-A241 PolarHBondContact O-N 2.68Å; D239-A241 WeakPolarHBondContact OD1-CB 3.05Å; D239-A241 PolarHBondContact OD1-N 2.82Å; D239-T242 PolarHBondContact O-N 3Å; D239-T242 PolarHBondContact OD1-N 3.41Å; D239-T242 WeakPolarHBondContact OD2-CB 3.29Å; D239-T242 PolarHBondContact OD2-OG1 3.08Å; D239-I243 WeakPolarHBondContact O-CB 3.32Å; D239-I243 WeakPolarHBondContact O-CD1 3.28Å; D239-I243 WeakPolarHBondContact O-CG1 3.42Å; D239-I243 PolarHBondContact O-N 2.83Å
240W92.1Very high90.6Very high43 Ų4359.7 Ų59.716%0.16334%0.337CS..Hα-helixtrans-64-18.8178.6-46.8112000113.6N238 I243 G244 A251 V254 K255 C258N238-W240 VanDerWaalsContact C-N 3.29Å; N238-W240 HydrophobicContact CB-CZ2 3.86Å; N238-W240 PolarHBondContact O-N 2.93Å; N238-W240 PolarHBondContact O-NE1 2.87Å; N238-W240 VanDerWaalsContact O-NE1 3.09Å; N238-W240 VanDerWaalsContact OD1-CZ2 3.31Å; N238-W240 WeakPolarHBondContact OD1-CZ2 3.25Å; W240-I243 HydrophobicContact CE3-CD1 4.21Å; W240-I243 HydrophobicContact CZ3-CD1 4.3Å; W240-G244 WeakPolarHBondContact O-CA 3.46Å; W240-G244 PolarHBondContact O-N 3.38Å; W240-A251 HydrophobicContact CB-CB 4.06Å; W240-A251 WeakPolarHBondContact O-CA 3.34Å; W240-A251 WeakPolarHBondContact O-CB 3.34Å; W240-V254 HydrophobicContact CE3-CG1 3.85Å; W240-V254 HydrophobicContact CZ3-CG1 4.38Å; W240-K255 HydrophobicContact CB-CB 4.34Å; W240-K255 HydrophobicContact CD2-CB 3.75Å; W240-K255 HydrophobicContact CD2-CG 4.07Å; W240-K255 HydrophobicContact CE3-CB 4.31Å; W240-K255 HydrophobicContact CG-CB 3.73Å; W240-K255 HydrophobicContact CG-CD 4.3Å; W240-K255 HydrophobicContact CG-CG 4.14Å; W240-K255 HydrophobicContact CZ2-CG 4.39Å; W240-C258 HydrophobicContact CH2-CB 3.72Å; W240-C258 VanDerWaalsContact CH2-SG 3.58Å; W240-C258 HydrophobicContact CZ3-CB 3.64Å
241A89.9Confident90.5Very high65 Ų6556.9 Ų56.954%0.53733%0.332SS..Hα-helixtrans-74.7-52.6177.400000110.3D239 G244 A245D239-A241 PolarHBondContact O-N 2.68Å; D239-A241 WeakPolarHBondContact OD1-CB 3.05Å; D239-A241 PolarHBondContact OD1-N 2.82Å; A241-G244 PolarHBondContact O-N 2.84Å; A241-A245 WeakPolarHBondContact O-CB 3.39Å; A241-A245 PolarHBondContact O-N 3.37Å
242T90.9Very high90.2Very high56 Ų5657.8 Ų57.834%0.34434%0.335SS..Hα-helixtrans-65.4-40.9176-61.50000112.1D239 A245 A246D239-T242 PolarHBondContact O-N 3Å; D239-T242 PolarHBondContact OD1-N 3.41Å; D239-T242 WeakPolarHBondContact OD2-CB 3.29Å; D239-T242 PolarHBondContact OD2-OG1 3.08Å; T242-A245 WeakPolarHBondContact O-CB 3.26Å; T242-A245 PolarHBondContact O-N 3.23Å; T242-A246 PolarHBondContact O-N 2.91Å
243I92.2Very high89.9Confident0 Ų057.9 Ų57.90%034%0.338CS..Hα-helixtrans-66.9-39.1176.8-58.3165.4000110.5L229 L232 R233 H236 D239 W240 L247 V254L229-I243 HydrophobicContact CD1-CG2 3.66Å; L232-I243 HydrophobicContact CB-CB 4.49Å; L232-I243 HydrophobicContact CB-CG1 4.14Å; L232-I243 HydrophobicContact CB-CG2 3.88Å; L232-I243 HydrophobicContact CD1-CG2 4.22Å; R233-I243 HydrophobicContact CB-CD1 4.42Å; H236-I243 HydrophobicContact CB-CD1 4.3Å; H236-I243 HydrophobicContact CB-CG1 4.04Å; D239-I243 WeakPolarHBondContact O-CB 3.32Å; D239-I243 WeakPolarHBondContact O-CD1 3.28Å; D239-I243 WeakPolarHBondContact O-CG1 3.42Å; D239-I243 PolarHBondContact O-N 2.83Å; W240-I243 HydrophobicContact CE3-CD1 4.21Å; W240-I243 HydrophobicContact CZ3-CD1 4.3Å; I243-L247 HydrophobicContact CG2-CD1 3.85Å; I243-L247 HydrophobicContact CG2-CG 4.5Å; I243-L247 WeakPolarHBondContact O-CB 2.98Å; I243-L247 VanDerWaalsContact O-CG 3.29Å; I243-L247 WeakPolarHBondContact O-CG 3.39Å; I243-L247 PolarHBondContact O-N 2.7Å; I243-L247 VanDerWaalsContact O-N 3.14Å; I243-V254 HydrophobicContact CB-CG1 4.17Å; I243-V254 HydrophobicContact CG2-CG1 3.58Å
244G90.7Very high89.9Confident1 Ų151.9 Ų51.91%0.0132%0.315CS..Hα-helixtrans-60.3-49.5171.700000112.6R215 W240 A241 A246 L247 G248 R249R215-G244 PolarHBondContact NH2-O 3.48Å; W240-G244 WeakPolarHBondContact O-CA 3.46Å; W240-G244 PolarHBondContact O-N 3.38Å; A241-G244 PolarHBondContact O-N 2.84Å; G244-A246 PolarHBondContact O-N 3.49Å; G244-L247 PolarHBondContact O-N 3.19Å; G244-L247 VanDerWaalsContact O-N 3.12Å; G244-G248 PolarHBondContact O-N 3.07Å; G244-G248 VanDerWaalsContact O-N 3.12Å; G244-R249 CarbonylContact C-O 3.56Å; G244-R249 VanDerWaalsContact C-O 3.28Å; G244-R249 VanDerWaalsContact CA-O 3.29Å; G244-R249 WeakPolarHBondContact CA-O 3.24Å; G244-R249 PolarHBondContact O-N 3.34Å
245A90.4Very high89.8Confident60 Ų6049 Ų4950%0.49630%0.3SS..Hα-helixtrans-49.5-55.5175.300000111.2R215 A241 T242 L247 G248R215-A245 VanDerWaalsContact NH2-CA 3.32Å; R215-A245 PolarHBondContact NH2-O 2.68Å; A241-A245 WeakPolarHBondContact O-CB 3.39Å; A241-A245 PolarHBondContact O-N 3.37Å; T242-A245 WeakPolarHBondContact O-CB 3.26Å; T242-A245 PolarHBondContact O-N 3.23Å; A245-L247 VanDerWaalsContact C-N 3.28Å; A245-L247 PolarHBondContact O-N 3.23Å; A245-G248 PolarHBondContact O-N 3Å
246A90.3Very high89.4Confident41 Ų4144.8 Ų44.834%0.33929%0.285SS..Hα-helixtrans-70.9-13.3-177.800000115.5K228 L232 T242 G244K228-A246 WeakPolarHBondContact CE-O 3.47Å; K228-A246 PolarHBondContact NZ-O 3.04Å; L232-A246 HydrophobicContact CD1-CB 3.74Å; L232-A246 HydrophobicContact CD2-CB 4.11Å; T242-A246 PolarHBondContact O-N 2.91Å; G244-A246 PolarHBondContact O-N 3.49Å
247L88.9Confident89.2Confident15 Ų1545.2 Ų45.28%0.07928%0.284CS..Hα-helixtrans-101.7-0.9174.8-70.9175000113.6K228 L229 L232 I243 G244 A245 R249 V254K228-L247 HydrophobicContact CB-CD2 3.96Å; K228-L247 HydrophobicContact CD-CD2 3.85Å; K228-L247 HydrophobicContact CG-CD2 3.81Å; L229-L247 HydrophobicContact CB-CD1 3.95Å; L229-L247 HydrophobicContact CD1-CD1 4.04Å; L229-L247 HydrophobicContact CG-CD1 4.46Å; L232-L247 HydrophobicContact CD1-CD2 4.02Å; L232-L247 HydrophobicContact CD1-CG 3.88Å; I243-L247 HydrophobicContact CG2-CD1 3.85Å; I243-L247 HydrophobicContact CG2-CG 4.5Å; I243-L247 WeakPolarHBondContact O-CB 2.98Å; I243-L247 VanDerWaalsContact O-CG 3.29Å; I243-L247 WeakPolarHBondContact O-CG 3.39Å; I243-L247 PolarHBondContact O-N 2.7Å; I243-L247 VanDerWaalsContact O-N 3.14Å; G244-L247 PolarHBondContact O-N 3.19Å; G244-L247 VanDerWaalsContact O-N 3.12Å; A245-L247 VanDerWaalsContact C-N 3.28Å; A245-L247 PolarHBondContact O-N 3.23Å; L247-R249 PolarHBondContact O-N 3.22Å; L247-V254 HydrophobicContact CD1-CG1 4.26Å; L247-V254 HydrophobicContact CD1-CG2 3.89Å
248G87.8Confident88.9Confident42 Ų4244.4 Ų44.443%0.43327%0.273SS..THydrogen-bonded Turntrans70.5-9.2-173.200000114.8R215 G244 A245R215-G248 WeakPolarHBondContact CB-O 3.26Å; R215-G248 PolarHBondContact NE-O 2.72Å; R215-G248 VanDerWaalsContact NH2-CA 3.31Å; R215-G248 PolarHBondContact NH2-O 3.4Å; G244-G248 PolarHBondContact O-N 3.07Å; G244-G248 VanDerWaalsContact O-N 3.12Å; A245-G248 PolarHBondContact O-N 3Å
249R88.3Confident88.5Confident7 Ų746.7 Ų46.73%0.02627%0.273CS..SBendtrans-99.6164.1-174.1-67.7179.4-179.9-102.50.9113.6V218 G219 K220 Y221 E225 G244 L247 V254V218-R249 HydrophobicContact CB-CG 4.17Å; V218-R249 HydrophobicContact CG1-CG 4.19Å; V218-R249 HydrophobicContact CG2-CG 4.26Å; G219-R249 PolarHBondContact O-NH1 3.3Å; K220-R249 PolarHBondContact O-NH2 3.45Å; Y221-R249 VanDerWaalsContact CE1-CD 3.42Å; Y221-R249 WeakPolarHBondContact OH-CD 3.32Å; E225-R249 VanDerWaalsContact CD-NH2 3.25Å; E225-R249 IonicContact OE1-CZ 3.75Å; E225-R249 VanDerWaalsContact OE1-CZ 3.27Å; E225-R249 IonicContact OE1-NE 3.5Å; E225-R249 PolarHBondContact OE1-NE 3.5Å; E225-R249 IonicContact OE1-NH2 3.34Å; E225-R249 PolarHBondContact OE1-NH2 3.46Å; E225-R249 IonicContact OE2-CZ 2.76Å; E225-R249 IonicContact OE2-NE 3.38Å; E225-R249 PolarHBondContact OE2-NE 3.44Å; E225-R249 IonicContact OE2-NH2 2.69Å; E225-R249 PolarHBondContact OE2-NH2 2.87Å; G244-R249 CarbonylContact C-O 3.56Å; G244-R249 VanDerWaalsContact C-O 3.28Å; G244-R249 VanDerWaalsContact CA-O 3.29Å; G244-R249 WeakPolarHBondContact CA-O 3.24Å; G244-R249 PolarHBondContact O-N 3.34Å; L247-R249 PolarHBondContact O-N 3.22Å; R249-V254 HydrophobicContact CB-CG2 4.19Å
250S87.2Confident87.6Confident5 Ų547.7 Ų47.74%0.03528%0.278CS..  trans-68142.7176.777.10000112.7D213 R215 S252 S253 V254D213-S250 WeakPolarHBondContact OD2-CB 3.36Å; R215-S250 PolarHBondContact O-N 2.86Å; S250-S252 PolarHBondContact O-N 3.16Å; S250-S253 WeakPolarHBondContact O-CB 3.48Å; S250-S253 PolarHBondContact O-N 3.4Å; S250-S253 VanDerWaalsContact OG-CB 3.31Å; S250-S253 WeakPolarHBondContact OG-CB 3.25Å; S250-S253 PolarHBondContact OG-N 3.24Å; S250-V254 WeakPolarHBondContact O-CG2 3.43Å; S250-V254 PolarHBondContact O-N 3.32Å
251A88.6Confident86.6Confident38 Ų3847.4 Ų47.431%0.31428%0.279SS..Hα-helixtrans-56.6-34.8179.300000112.8W240 K255W240-A251 HydrophobicContact CB-CB 4.06Å; W240-A251 WeakPolarHBondContact O-CA 3.34Å; W240-A251 WeakPolarHBondContact O-CB 3.34Å; A251-K255 WeakPolarHBondContact O-CB 3.45Å; A251-K255 PolarHBondContact O-N 3.3Å
252S84.8Confident85.4Confident76 Ų7648.6 Ų48.653%0.53127%0.272SS..Hα-helixtrans-65.4-45.2175.5-63.20000112S250 V254 K255 D256S250-S252 PolarHBondContact O-N 3.16Å; S252-V254 VanDerWaalsContact C-N 3.35Å; S252-V254 PolarHBondContact O-N 2.77Å; S252-K255 PolarHBondContact O-N 3.41Å; S252-D256 PolarHBondContact O-N 3.23Å
253S87.6Confident83.7Confident28 Ų2852.6 Ų52.620%0.19629%0.287CS..Hα-helixtrans-61.6-43.7177.4-170.10000111.3Y221 S250 D256 R257Y221-S253 VanDerWaalsContact OH-C 3.23Å; Y221-S253 PolarHBondContact OH-O 3.28Å; Y221-S253 PolarHBondContact OH-OG 3.39Å; S250-S253 WeakPolarHBondContact O-CB 3.48Å; S250-S253 PolarHBondContact O-N 3.4Å; S250-S253 VanDerWaalsContact OG-CB 3.31Å; S250-S253 WeakPolarHBondContact OG-CB 3.25Å; S250-S253 PolarHBondContact OG-N 3.24Å; S253-D256 PolarHBondContact O-N 2.89Å; S253-R257 VanDerWaalsContact O-CB 3.25Å; S253-R257 WeakPolarHBondContact O-CB 3.42Å; S253-R257 PolarHBondContact O-N 2.9Å
254V89.8Confident82.1Confident0 Ų057.6 Ų57.60%032%0.317CS..Hα-helixtrans-62.8-46.7177174.80000112Y221 L229 W240 I243 L247 R249 S250 S252 R257 C258Y221-V254 WeakPolarHBondContact OH-CA 3.49Å; Y221-V254 WeakPolarHBondContact OH-CG2 3.4Å; Y221-V254 PolarHBondContact OH-N 3.01Å; L229-V254 HydrophobicContact CD1-CG1 3.56Å; W240-V254 HydrophobicContact CE3-CG1 3.85Å; W240-V254 HydrophobicContact CZ3-CG1 4.38Å; I243-V254 HydrophobicContact CB-CG1 4.17Å; I243-V254 HydrophobicContact CG2-CG1 3.58Å; L247-V254 HydrophobicContact CD1-CG1 4.26Å; L247-V254 HydrophobicContact CD1-CG2 3.89Å; R249-V254 HydrophobicContact CB-CG2 4.19Å; S250-V254 WeakPolarHBondContact O-CG2 3.43Å; S250-V254 PolarHBondContact O-N 3.32Å; S252-V254 VanDerWaalsContact C-N 3.35Å; S252-V254 PolarHBondContact O-N 2.77Å; V254-R257 PolarHBondContact O-N 3.22Å; V254-C258 WeakPolarHBondContact O-CB 3.34Å; V254-C258 PolarHBondContact O-N 3.48Å
255K88.8Confident81.3Confident115 Ų11558.8 Ų58.850%0.533%0.325SS..Hα-helixtrans-59.5-47.5177-178.6176.5-177.6174.30112W240 A251 S252 C258 R259W240-K255 HydrophobicContact CB-CB 4.34Å; W240-K255 HydrophobicContact CD2-CB 3.75Å; W240-K255 HydrophobicContact CD2-CG 4.07Å; W240-K255 HydrophobicContact CE3-CB 4.31Å; W240-K255 HydrophobicContact CG-CB 3.73Å; W240-K255 HydrophobicContact CG-CD 4.3Å; W240-K255 HydrophobicContact CG-CG 4.14Å; W240-K255 HydrophobicContact CZ2-CG 4.39Å; A251-K255 WeakPolarHBondContact O-CB 3.45Å; A251-K255 PolarHBondContact O-N 3.3Å; S252-K255 PolarHBondContact O-N 3.41Å; K255-C258 PolarHBondContact O-N 2.67Å; K255-R259 PolarHBondContact O-N 3.37Å
256D85.4Confident80.8Confident72 Ų7259.5 Ų59.539%0.38532%0.321SS..Hα-helixtrans-67.5-37.6178.5-88.1-20.3000112.1S252 S253 R259 L260S252-D256 PolarHBondContact O-N 3.23Å; S253-D256 PolarHBondContact O-N 2.89Å; D256-R259 PolarHBondContact O-N 3.13Å; D256-R259 IonicContact OD1-CZ 3.66Å; D256-R259 IonicContact OD1-NE 2.59Å; D256-R259 IonicContact OD1-NH1 2.68Å; D256-R259 PolarHBondContact OD1-NH1 2.83Å; D256-R259 VanDerWaalsContact OD1-NH1 3.15Å; D256-R259 IonicContact OD1-NH2 2.7Å; D256-R259 PolarHBondContact OD1-NH2 3.17Å; D256-R259 IonicContact OD2-NH2 3.47Å; D256-L260 VanDerWaalsContact O-CG 3.32Å; D256-L260 WeakPolarHBondContact O-CG 3Å; D256-L260 PolarHBondContact O-N 2.76Å
257R86.3Confident80.2Confident75 Ų7563.8 Ų63.828%0.28334%0.343SS..Hα-helixtrans-63-46.5174.6-178.860.9-173.9147.62.6111.3Y221 L229 S253 V254 L260 M261Y221-R257 HydrophobicContact CD1-CG 3.97Å; Y221-R257 HydrophobicContact CD2-CB 4.23Å; Y221-R257 HydrophobicContact CD2-CG 3.82Å; Y221-R257 HydrophobicContact CE1-CB 4.27Å; Y221-R257 HydrophobicContact CE1-CG 3.92Å; Y221-R257 HydrophobicContact CE2-CB 3.7Å; Y221-R257 HydrophobicContact CE2-CG 3.78Å; Y221-R257 HydrophobicContact CG-CG 3.92Å; L229-R257 HydrophobicContact CD2-CB 4.2Å; L229-R257 HydrophobicContact CD2-CG 3.74Å; S253-R257 VanDerWaalsContact O-CB 3.25Å; S253-R257 WeakPolarHBondContact O-CB 3.42Å; S253-R257 PolarHBondContact O-N 2.9Å; V254-R257 PolarHBondContact O-N 3.22Å; R257-L260 PolarHBondContact O-N 3.17Å; R257-M261 HydrophobicContact CG-SD 3.82Å; R257-M261 WeakPolarHBondContact O-CG 3.46Å; R257-M261 PolarHBondContact O-N 3.18Å; R257-M261 VanDerWaalsContact O-N 3.14Å
258C84.4Confident80Confident16 Ų1666 Ų6611%0.10837%0.37CS..Hα-helixtrans-62.4-44.2177.9-1760000112.2R233 W240 V254 K255 L260 M261R233-C258 VanDerWaalsContact CD-SG 3.56Å; W240-C258 HydrophobicContact CH2-CB 3.72Å; W240-C258 VanDerWaalsContact CH2-SG 3.58Å; W240-C258 HydrophobicContact CZ3-CB 3.64Å; V254-C258 WeakPolarHBondContact O-CB 3.34Å; V254-C258 PolarHBondContact O-N 3.48Å; K255-C258 PolarHBondContact O-N 2.67Å; C258-L260 PolarHBondContact O-N 3.45Å; C258-M261 PolarHBondContact O-N 3.47Å
259R81.1Confident80Confident161 Ų16173.5 Ų73.561%0.60839%0.39SS*.Hα-helixtrans-57.3-34.4175-175.5-173.762.9-152.2-9.1112.6K255 D256K255-R259 PolarHBondContact O-N 3.37Å; D256-R259 PolarHBondContact O-N 3.13Å; D256-R259 IonicContact OD1-CZ 3.66Å; D256-R259 IonicContact OD1-NE 2.59Å; D256-R259 IonicContact OD1-NH1 2.68Å; D256-R259 PolarHBondContact OD1-NH1 2.83Å; D256-R259 VanDerWaalsContact OD1-NH1 3.15Å; D256-R259 IonicContact OD1-NH2 2.7Å; D256-R259 PolarHBondContact OD1-NH2 3.17Å; D256-R259 IonicContact OD2-NH2 3.47Å
260L74.8Confident80.2Confident86 Ų8675.6 Ų75.645%0.4540%0.398SS..Hα-helixtrans-83.3-10.3178.7-66.8171.4000113.6D256 R257 C258 K262D256-L260 VanDerWaalsContact O-CG 3.32Å; D256-L260 WeakPolarHBondContact O-CG 3Å; D256-L260 PolarHBondContact O-N 2.76Å; R257-L260 PolarHBondContact O-N 3.17Å; C258-L260 PolarHBondContact O-N 3.45Å; L260-K262 VanDerWaalsContact C-N 3.34Å; L260-K262 PolarHBondContact O-N 3.19Å
261M71.1Confident80.5Confident37 Ų3777.6 Ų77.618%0.18241%0.412CS..  trans-89.859.3176.2-75.1167.447.100111.7I226 L229 K230 R257 C258 E263I226-M261 HydrophobicContact CG2-CE 3.76Å; I226-M261 HydrophobicContact CG2-SD 4.05Å; L229-M261 HydrophobicContact CD2-CE 4.25Å; L229-M261 HydrophobicContact CD2-SD 3.77Å; L229-M261 HydrophobicContact CG-CE 4.37Å; K230-M261 HydrophobicContact CG-CE 3.89Å; R257-M261 HydrophobicContact CG-SD 3.82Å; R257-M261 WeakPolarHBondContact O-CG 3.46Å; R257-M261 PolarHBondContact O-N 3.18Å; R257-M261 VanDerWaalsContact O-N 3.14Å; C258-M261 PolarHBondContact O-N 3.47Å; M261-E263 PolarHBondContact O-N 3.16Å
262K64.8Low80.7Confident89 Ų8983.4 Ų83.439%0.38743%0.433SS..  trans-75.2104.8160.9-80.1-167.8175-179.30108.3L260 T264 C265 D305L260-K262 VanDerWaalsContact C-N 3.34Å; L260-K262 PolarHBondContact O-N 3.19Å; K262-T264 PolarHBondContact O-N 3.09Å; K262-C265 VanDerWaalsContact CB-SG 3.51Å; K262-C265 WeakPolarHBondContact O-CB 3.03Å; K262-C265 PolarHBondContact O-N 3.37Å; K262-D305 IonicContact NZ-OD1 2.68Å; K262-D305 PolarHBondContact NZ-OD1 2.94Å; K262-D305 IonicContact NZ-OD2 3.47Å
263E54.9Low81Confident141 Ų14185.5 Ų85.566%0.65943%0.434SS*.THydrogen-bonded Turntrans-65.7-22-170.6-55.2-171.4116.800114.1K230 M261 C265K230-E263 WeakPolarHBondContact CD-OE1 3.33Å; K230-E263 WeakPolarHBondContact CE-OE1 3.38Å; K230-E263 IonicContact NZ-OE1 2.64Å; K230-E263 PolarHBondContact NZ-OE1 2.93Å; M261-E263 PolarHBondContact O-N 3.16Å; E263-C265 VanDerWaalsContact C-N 3.25Å; E263-C265 PolarHBondContact O-N 2.79Å
264T57.6Low81.2Confident105 Ų10584.5 Ų84.564%0.64443%0.426SS*.THydrogen-bonded Turntrans-802.8178.661.60000114.3K262K262-T264 PolarHBondContact O-N 3.09Å
265C74.9Confident81.4Confident25 Ų2585.7 Ų85.717%0.16943%0.432CS..  trans-91.9112.4-171.8-68.20000112.6K262 E263 T267 T309 R310 S311K262-C265 VanDerWaalsContact CB-SG 3.51Å; K262-C265 WeakPolarHBondContact O-CB 3.03Å; K262-C265 PolarHBondContact O-N 3.37Å; E263-C265 VanDerWaalsContact C-N 3.25Å; E263-C265 PolarHBondContact O-N 2.79Å; C265-T267 PolarHBondContact O-N 3.12Å; C265-T309 CarbonylContact C-O 3.55Å; C265-T309 WeakPolarHBondContact CA-O 3.49Å; C265-R310 VanDerWaalsContact SG-C 3.59Å; C265-S311 PolarHBondContact SG-N 3.17Å
266N80.1Confident81.5Confident76 Ų7682 Ų8241%0.40643%0.427SS..  trans-54.7134.5175.1-71.4-15.6000111.8E274 T309 R310 Q314N266-E274 PolarHBondContact ND2-OE1 3.09Å; N266-T309 WeakPolarHBondContact CB-O 3.16Å; N266-T309 PolarHBondContact N-O 3.17Å; N266-R310 WeakPolarHBondContact O-CD 3.32Å; N266-R310 PolarHBondContact O-NH1 3.1Å; N266-Q314 PolarHBondContact O-NE2 3.31Å
267T77.9Confident81.9Confident130 Ų13082.8 Ų82.880%0.79842%0.424SS*.  trans-99.6162.6167.355.30000110.2C265C265-T267 PolarHBondContact O-N 3.12Å
268G83.3Confident82.3Confident63 Ų6379.2 Ų79.265%0.64941%0.411SS*.SBendtrans85.4-165.7-17700000115R310G268-R310 PolarHBondContact O-NH1 3.04Å
269K89.3Confident82.7Confident199 Ų19978.7 Ų78.787%0.86541%0.408SS*.PPolyproline II helixtrans-55.3149.3-174.5-64.6-178.6-179.6179.30111.9R310K269-R310 PolarHBondContact O-NH2 3.3Å
270W92.4Very high83.3Confident51 Ų5177.2 Ų77.219%0.19341%0.408CS..PPolyproline II helixtrans-82.1142171.4-72.564.6000109.8E274 E275 L278 R310 Q314 K318W270-E274 WeakPolarHBondContact CA-OE2 3.36Å; W270-E274 HydrophobicContact CE3-CB 3.68Å; W270-E274 HydrophobicContact CZ3-CB 4.18Å; W270-E275 HydrophobicContact CB-CG 4.17Å; W270-L278 HydrophobicContact CE3-CD2 4.44Å; W270-L278 HydrophobicContact CH2-CD2 3.57Å; W270-L278 HydrophobicContact CZ2-CD2 4.48Å; W270-L278 HydrophobicContact CZ3-CB 4.13Å; W270-L278 HydrophobicContact CZ3-CD2 3.54Å; W270-L278 HydrophobicContact CZ3-CG 4.44Å; W270-R310 HydrophobicContact CE3-CG 4.48Å; W270-R310 HydrophobicContact CH2-CB 3.86Å; W270-R310 HydrophobicContact CH2-CG 3.61Å; W270-R310 HydrophobicContact CZ2-CB 4.17Å; W270-R310 HydrophobicContact CZ2-CG 3.82Å; W270-R310 HydrophobicContact CZ3-CG 3.97Å; W270-Q314 HydrophobicContact CZ2-CB 4.1Å; W270-K318 HydrophobicContact CD2-CB 4.35Å; W270-K318 HydrophobicContact CD2-CD 4.04Å; W270-K318 HydrophobicContact CD2-CG 3.73Å; W270-K318 HydrophobicContact CE3-CG 4Å; W270-K318 HydrophobicContact CG-CD 4.07Å; W270-K318 HydrophobicContact CG-CG 4.31Å; W270-K318 HydrophobicContact CH2-CB 3.95Å; W270-K318 HydrophobicContact CH2-CG 4.07Å; W270-K318 HydrophobicContact CZ2-CB 3.45Å; W270-K318 VanDerWaalsContact CZ2-CB 3.45Å; W270-K318 HydrophobicContact CZ2-CG 3.76Å; W270-K318 HydrophobicContact CZ3-CG 4.17Å
271S92.6Very high84.2Confident46 Ų4673.6 Ų73.632%0.32239%0.389SS..PPolyproline II helixtrans-86.6162.7167.382.70000111.2E273 E274 E275S271-E273 VanDerWaalsContact C-N 3.27Å; S271-E273 WeakPolarHBondContact CB-OE2 3.19Å; S271-E273 PolarHBondContact O-N 2.9Å; S271-E273 PolarHBondContact OG-OE2 3.25Å; S271-E274 PolarHBondContact N-OE2 3.37Å; S271-E274 WeakPolarHBondContact O-CB 3.36Å; S271-E274 PolarHBondContact O-N 3.03Å; S271-E274 VanDerWaalsContact O-N 3.15Å; S271-E274 PolarHBondContact OG-N 2.89Å; S271-E275 PolarHBondContact O-N 3.49Å
272E92Very high85.2Confident161 Ų16171.9 Ų71.975%0.75238%0.381SS*.Hα-helixtrans-66.9-30.7-178.8-59.9-164152.100112E275 G276E272-E275 PolarHBondContact O-N 3.39Å; E272-G276 PolarHBondContact O-N 3.25Å
273E91.4Very high86.5Confident119 Ų11968.2 Ų68.256%0.55636%0.364SS*.Hα-helixtrans-72-29.8174.3-42.278.9-177.600111.8S271 R277S271-E273 VanDerWaalsContact C-N 3.27Å; S271-E273 WeakPolarHBondContact CB-OE2 3.19Å; S271-E273 PolarHBondContact O-N 2.9Å; S271-E273 PolarHBondContact OG-OE2 3.25Å; E273-R277 WeakPolarHBondContact O-CB 3.44Å; E273-R277 WeakPolarHBondContact O-CG 3.41Å; E273-R277 PolarHBondContact O-N 2.72Å; E273-R277 PolarHBondContact O-NH1 3.05Å
274E92.4Very high88.2Confident7 Ų767 Ų673%0.03336%0.359CS..Hα-helixtrans-72.2-38.6170.2-69.8-177.4123.500112.2N266 W270 S271 L278 T309 R310N266-E274 PolarHBondContact ND2-OE1 3.09Å; W270-E274 WeakPolarHBondContact CA-OE2 3.36Å; W270-E274 HydrophobicContact CE3-CB 3.68Å; W270-E274 HydrophobicContact CZ3-CB 4.18Å; S271-E274 PolarHBondContact N-OE2 3.37Å; S271-E274 WeakPolarHBondContact O-CB 3.36Å; S271-E274 PolarHBondContact O-N 3.03Å; S271-E274 VanDerWaalsContact O-N 3.15Å; S271-E274 PolarHBondContact OG-N 2.89Å; E274-L278 VanDerWaalsContact O-CB 3.27Å; E274-L278 WeakPolarHBondContact O-CB 3.34Å; E274-L278 PolarHBondContact O-N 3.32Å; E274-L278 VanDerWaalsContact O-N 3.09Å; E274-T309 VanDerWaalsContact OE1-CB 3.23Å; E274-T309 WeakPolarHBondContact OE1-CB 3.46Å; E274-T309 PolarHBondContact OE1-OG1 2.93Å; E274-R310 IonicContact OE1-CZ 3.52Å; E274-R310 IonicContact OE1-NE 2.81Å; E274-R310 PolarHBondContact OE1-NE 3.06Å; E274-R310 IonicContact OE1-NH2 3.36Å; E274-R310 PolarHBondContact OE1-NH2 2.88Å; E274-R310 IonicContact OE2-CZ 2.95Å; E274-R310 IonicContact OE2-NE 3.99Å; E274-R310 PolarHBondContact OE2-NE 3.45Å; E274-R310 IonicContact OE2-NH2 3.15Å; E274-R310 PolarHBondContact OE2-NH2 3.32Å
275E93.3Very high89.7Confident25 Ų2564.6 Ų64.612%0.11734%0.341CS..Hα-helixtrans-63.6-44.4172.2-67.7-167.1179.500111.1W270 S271 E272 L278 A279 K318 L323 K326W270-E275 HydrophobicContact CB-CG 4.17Å; S271-E275 PolarHBondContact O-N 3.49Å; E272-E275 PolarHBondContact O-N 3.39Å; E275-L278 PolarHBondContact O-N 3.13Å; E275-A279 WeakPolarHBondContact O-CB 3.5Å; E275-A279 PolarHBondContact O-N 3.36Å; E275-K318 WeakPolarHBondContact OE1-CE 3.34Å; E275-K318 IonicContact OE1-NZ 3.42Å; E275-K318 PolarHBondContact OE1-NZ 3.45Å; E275-L323 HydrophobicContact CB-CD1 4.23Å; E275-L323 HydrophobicContact CB-CD2 4.13Å; E275-L323 HydrophobicContact CG-CD1 4.33Å; E275-L323 HydrophobicContact CG-CD2 4.01Å; E275-L323 WeakPolarHBondContact OE2-CD2 3.29Å; E275-K326 IonicContact OE2-NZ 3.8Å; E275-K326 PolarHBondContact OE2-NZ 3.12Å
276G92.3Very high90.3Very high38 Ų3865 Ų6539%0.39235%0.347SS..Hα-helixtrans-60.1-53.5177.500000113E272 L278 A279 E280E272-G276 PolarHBondContact O-N 3.25Å; G276-L278 VanDerWaalsContact C-N 3.29Å; G276-L278 PolarHBondContact O-N 3.13Å; G276-A279 PolarHBondContact O-N 3.14Å; G276-A279 VanDerWaalsContact O-N 3.14Å; G276-E280 WeakPolarHBondContact O-CB 3.34Å; G276-E280 PolarHBondContact O-N 3.18Å
277R93.8Very high90.6Very high88 Ų8864.8 Ų64.833%0.33236%0.362SS..Hα-helixtrans-61-35.8176.6-73.5-170.2-56-78.70.4112.8E273 V281E273-R277 WeakPolarHBondContact O-CB 3.44Å; E273-R277 WeakPolarHBondContact O-CG 3.41Å; E273-R277 PolarHBondContact O-N 2.72Å; E273-R277 PolarHBondContact O-NH1 3.05Å; R277-V281 WeakPolarHBondContact O-CB 3.4Å; R277-V281 VanDerWaalsContact O-CG2 3.26Å; R277-V281 WeakPolarHBondContact O-CG2 3.38Å; R277-V281 PolarHBondContact O-N 3.27Å; R277-V281 VanDerWaalsContact O-N 3.15Å
278L94.4Very high91.1Very high0 Ų061.5 Ų61.50%034%0.341CS..Hα-helixtrans-66.5-42.5175.3175.558000111.2W270 E274 E275 G276 V282 V303 V307 C315 K318 W319 L323W270-L278 HydrophobicContact CE3-CD2 4.44Å; W270-L278 HydrophobicContact CH2-CD2 3.57Å; W270-L278 HydrophobicContact CZ2-CD2 4.48Å; W270-L278 HydrophobicContact CZ3-CB 4.13Å; W270-L278 HydrophobicContact CZ3-CD2 3.54Å; W270-L278 HydrophobicContact CZ3-CG 4.44Å; E274-L278 VanDerWaalsContact O-CB 3.27Å; E274-L278 WeakPolarHBondContact O-CB 3.34Å; E274-L278 PolarHBondContact O-N 3.32Å; E274-L278 VanDerWaalsContact O-N 3.09Å; E275-L278 PolarHBondContact O-N 3.13Å; G276-L278 VanDerWaalsContact C-N 3.29Å; G276-L278 PolarHBondContact O-N 3.13Å; L278-V282 HydrophobicContact CD1-CG2 3.89Å; L278-V282 WeakPolarHBondContact O-CB 3.47Å; L278-V282 WeakPolarHBondContact O-CG2 3.47Å; L278-V282 PolarHBondContact O-N 2.7Å; L278-V282 VanDerWaalsContact O-N 3.11Å; L278-V303 HydrophobicContact CD1-CG1 3.42Å; L278-V303 VanDerWaalsContact CD1-CG1 3.42Å; L278-V307 HydrophobicContact CB-CG2 4.2Å; L278-V307 HydrophobicContact CD1-CG2 4.28Å; L278-C315 HydrophobicContact CD1-CB 3.82Å; L278-K318 HydrophobicContact CD2-CB 3.95Å; L278-K318 HydrophobicContact CD2-CG 3.83Å; L278-W319 HydrophobicContact CG-CE3 4.34Å; L278-L323 HydrophobicContact CB-CD1 4.39Å; L278-L323 HydrophobicContact CD2-CD1 3.67Å; L278-L323 HydrophobicContact CG-CD1 4.09Å
279A92.7Very high91.1Very high6 Ų662.3 Ų62.35%0.0534%0.337CS..Hα-helixtrans-65.6-50.1177.300000112.3E275 G276 V281 V282 Y283 W319E275-A279 WeakPolarHBondContact O-CB 3.5Å; E275-A279 PolarHBondContact O-N 3.36Å; G276-A279 PolarHBondContact O-N 3.14Å; G276-A279 VanDerWaalsContact O-N 3.14Å; A279-V281 PolarHBondContact O-N 3.12Å; A279-V282 PolarHBondContact O-N 3.12Å; A279-Y283 HydrophobicContact CB-CD2 4.39Å; A279-Y283 HydrophobicContact CB-CE2 4.29Å; A279-Y283 WeakPolarHBondContact O-CD2 3.27Å; A279-Y283 PolarHBondContact O-N 3.35Å; A279-W319 HydrophobicContact CB-CH2 4.34Å; A279-W319 HydrophobicContact CB-CZ3 3.81Å
280E92.9Very high90.8Very high129 Ų12957.8 Ų57.860%0.60333%0.328SS*.Hα-helixtrans-50.9-55.5176.9177.9-178.3-15000111.6G276 V282 Y283 E284G276-E280 WeakPolarHBondContact O-CB 3.34Å; G276-E280 PolarHBondContact O-N 3.18Å; E280-V282 VanDerWaalsContact C-N 3.34Å; E280-V282 PolarHBondContact O-N 3.39Å; E280-Y283 PolarHBondContact O-N 3.48Å; E280-E284 WeakPolarHBondContact O-CB 3.31Å; E280-E284 PolarHBondContact O-N 3.3Å
281V93.6Very high90.1Very high11 Ų1157 Ų577%0.06734%0.336CS..Hα-helixtrans-65.4-35.3-178.2171.70000112.2R277 A279 M285 V303 R306R277-V281 WeakPolarHBondContact O-CB 3.4Å; R277-V281 VanDerWaalsContact O-CG2 3.26Å; R277-V281 WeakPolarHBondContact O-CG2 3.38Å; R277-V281 PolarHBondContact O-N 3.27Å; R277-V281 VanDerWaalsContact O-N 3.15Å; A279-V281 PolarHBondContact O-N 3.12Å; V281-M285 HydrophobicContact CG1-CG 4.38Å; V281-M285 HydrophobicContact CG1-SD 4.03Å; V281-M285 VanDerWaalsContact O-CB 3.26Å; V281-M285 WeakPolarHBondContact O-CB 2.9Å; V281-M285 VanDerWaalsContact O-CG 3.26Å; V281-M285 WeakPolarHBondContact O-CG 3.41Å; V281-M285 PolarHBondContact O-N 3.03Å; V281-V303 HydrophobicContact CG1-CB 4.28Å; V281-V303 HydrophobicContact CG1-CG1 4.18Å; V281-V303 HydrophobicContact CG1-CG2 4.17Å; V281-R306 HydrophobicContact CG1-CB 3.97Å; V281-R306 HydrophobicContact CG1-CG 4.44Å; V281-R306 HydrophobicContact CG2-CB 3.91Å
282V92.6Very high89.5Confident0 Ų056.7 Ų56.70%033%0.334CS..Hα-helixtrans-70.5-39.5177.31690000111.5L278 A279 E280 A286 V294 V298 W300 V303 W319L278-V282 HydrophobicContact CD1-CG2 3.89Å; L278-V282 WeakPolarHBondContact O-CB 3.47Å; L278-V282 WeakPolarHBondContact O-CG2 3.47Å; L278-V282 PolarHBondContact O-N 2.7Å; L278-V282 VanDerWaalsContact O-N 3.11Å; A279-V282 PolarHBondContact O-N 3.12Å; E280-V282 VanDerWaalsContact C-N 3.34Å; E280-V282 PolarHBondContact O-N 3.39Å; V282-A286 WeakPolarHBondContact O-CB 3.15Å; V282-A286 PolarHBondContact O-N 2.94Å; V282-V294 HydrophobicContact CG1-CB 4.14Å; V282-V294 HydrophobicContact CG1-CG1 3.8Å; V282-V298 HydrophobicContact CG1-CG2 4.34Å; V282-V298 HydrophobicContact CG2-CG1 4.49Å; V282-W300 HydrophobicContact CG2-CH2 4.13Å; V282-W300 HydrophobicContact CG2-CZ3 3.86Å; V282-V303 HydrophobicContact CG2-CG1 4.07Å; V282-V303 HydrophobicContact CG2-CG2 4.16Å; V282-W319 HydrophobicContact CB-CD2 4.36Å; V282-W319 HydrophobicContact CB-CE3 4.4Å; V282-W319 HydrophobicContact CB-CZ2 4.46Å; V282-W319 HydrophobicContact CG1-CD2 3.91Å; V282-W319 HydrophobicContact CG1-CE3 4.38Å; V282-W319 HydrophobicContact CG1-CG 4.44Å; V282-W319 HydrophobicContact CG1-CH2 4.23Å; V282-W319 HydrophobicContact CG1-CZ2 3.7Å; V282-W319 HydrophobicContact CG2-CD2 4.31Å; V282-W319 HydrophobicContact CG2-CE3 4.39Å
283Y92Very high89Confident12 Ų1252.2 Ų52.25%0.04733%0.325CS..Hα-helixtrans-68-44.6175.8-75.4-56000112.4A279 E280 M285 A286 G287 V288 P290 G291 S292 V294 W319 H327A279-Y283 HydrophobicContact CB-CD2 4.39Å; A279-Y283 HydrophobicContact CB-CE2 4.29Å; A279-Y283 WeakPolarHBondContact O-CD2 3.27Å; A279-Y283 PolarHBondContact O-N 3.35Å; E280-Y283 PolarHBondContact O-N 3.48Å; Y283-M285 PolarHBondContact O-N 3.24Å; Y283-A286 PolarHBondContact O-N 3.27Å; Y283-G287 PolarHBondContact O-N 2.8Å; Y283-V288 HydrophobicContact CD1-CG2 3.94Å; Y283-V288 HydrophobicContact CE1-CG2 4.38Å; Y283-V288 PolarHBondContact O-N 2.89Å; Y283-P290 HydrophobicContact CD2-CB 4.09Å; Y283-P290 HydrophobicContact CD2-CG 4.14Å; Y283-P290 HydrophobicContact CE2-CB 4.03Å; Y283-P290 HydrophobicContact CG-CG 4.35Å; Y283-G291 PolarHBondContact OH-N 3.39Å; Y283-G291 VanDerWaalsContact OH-N 3.09Å; Y283-S292 WeakPolarHBondContact CE1-O 3.44Å; Y283-S292 PolarHBondContact OH-O 3.08Å; Y283-V294 HydrophobicContact CD1-CG2 4.2Å; Y283-V294 HydrophobicContact CE1-CG2 4.03Å; Y283-W319 HydrophobicContact CD2-CH2 4.46Å; Y283-W319 HydrophobicContact CE1-CH2 4.45Å; Y283-W319 HydrophobicContact CE1-CZ2 4.45Å; Y283-W319 AromaticContact CE2-CH2 3.74Å; Y283-W319 HydrophobicContact CE2-CH2 3.74Å; Y283-W319 HydrophobicContact CE2-CZ2 4.5Å; Y283-W319 AromaticContact CZ-CH2 3.72Å; Y283-H327 WeakPolarHBondContact OH-CB 3.41Å
284E90.7Very high88.6Confident116 Ų11647 Ų4754%0.54230%0.3SS..Hα-helixtrans-58-48.8174.3-170.4-149.5130.200111.3E280 A286 G287 R306E280-E284 WeakPolarHBondContact O-CB 3.31Å; E280-E284 PolarHBondContact O-N 3.3Å; E284-A286 VanDerWaalsContact C-N 3.33Å; E284-A286 PolarHBondContact O-N 3.33Å; E284-G287 PolarHBondContact O-N 2.62Å; E284-R306 IonicContact OE1-CZ 2.72Å; E284-R306 VanDerWaalsContact OE1-CZ 3.26Å; E284-R306 IonicContact OE1-NH1 3.35Å; E284-R306 PolarHBondContact OE1-NH1 3.28Å; E284-R306 IonicContact OE1-NH2 2.62Å; E284-R306 PolarHBondContact OE1-NH2 2.76Å; E284-R306 IonicContact OE2-CZ 2.7Å; E284-R306 IonicContact OE2-NH1 3.12Å; E284-R306 PolarHBondContact OE2-NH1 3.27Å; E284-R306 IonicContact OE2-NH2 3.92Å
285M89.5Confident88.2Confident54 Ų5449.2 Ų49.227%0.26632%0.315SS..Hα-helixtrans-70.6-24.5-179.3-75.2-171.464.600114.3V281 Y283 V298 T302 V303V281-M285 HydrophobicContact CG1-CG 4.38Å; V281-M285 HydrophobicContact CG1-SD 4.03Å; V281-M285 VanDerWaalsContact O-CB 3.26Å; V281-M285 WeakPolarHBondContact O-CB 2.9Å; V281-M285 VanDerWaalsContact O-CG 3.26Å; V281-M285 WeakPolarHBondContact O-CG 3.41Å; V281-M285 PolarHBondContact O-N 3.03Å; Y283-M285 PolarHBondContact O-N 3.24Å; M285-V298 HydrophobicContact CB-CG1 4.4Å; M285-V298 HydrophobicContact CE-CG1 4.36Å; M285-T302 HydrophobicContact CE-CG2 3.98Å; M285-T302 HydrophobicContact SD-CG2 4Å; M285-V303 HydrophobicContact CE-CG2 4.46Å; M285-V303 HydrophobicContact SD-CG2 3.66Å
286A88.1Confident87.7Confident35 Ų3551.7 Ų51.729%0.28934%0.339SS..Hα-helixtrans-85.9-16174.300000113V282 Y283 E284 V288 V294 V298V282-A286 WeakPolarHBondContact O-CB 3.15Å; V282-A286 PolarHBondContact O-N 2.94Å; Y283-A286 PolarHBondContact O-N 3.27Å; E284-A286 VanDerWaalsContact C-N 3.33Å; E284-A286 PolarHBondContact O-N 3.33Å; A286-V288 VanDerWaalsContact C-N 3.3Å; A286-V288 HydrophobicContact CB-CG2 3.97Å; A286-V288 PolarHBondContact O-N 2.94Å; A286-V294 HydrophobicContact CB-CG1 3.78Å; A286-V294 HydrophobicContact CB-CG2 3.91Å; A286-V298 HydrophobicContact CB-CG2 4.12Å
287G86Confident87.3Confident70 Ų7053.9 Ų53.972%0.72236%0.362SS*.THydrogen-bonded Turntrans68.724.4-177.300000114.2Y283 E284Y283-G287 PolarHBondContact O-N 2.8Å; E284-G287 PolarHBondContact O-N 2.62Å
288V87Confident87Confident61 Ų6150.3 Ų50.337%0.3735%0.35SS..  trans-123.7155.4-176.3-55.90000112.2Y283 A286 V294Y283-V288 HydrophobicContact CD1-CG2 3.94Å; Y283-V288 HydrophobicContact CE1-CG2 4.38Å; Y283-V288 PolarHBondContact O-N 2.89Å; A286-V288 VanDerWaalsContact C-N 3.3Å; A286-V288 HydrophobicContact CB-CG2 3.97Å; A286-V288 PolarHBondContact O-N 2.94Å; V288-V294 HydrophobicContact CG2-CG2 3.56Å
289S83.9Confident86.9Confident81 Ų8153 Ų5357%0.56637%0.369SS*.  trans-67.3147.2179.550.30000112.6S292S289-S292 WeakPolarHBondContact O-CB 3.43Å; S289-S292 PolarHBondContact O-N 2.83Å; S289-S292 VanDerWaalsContact O-N 3.11Å; S289-S292 PolarHBondContact O-OG 3.12Å; S289-S292 PolarHBondContact OG-OG 3.17Å
290P83.8Confident86.8Confident103 Ų10353.8 Ų53.867%0.66937%0.37SS*.THydrogen-bonded Turntrans-51.6139.8171.1-28.436.3000112.8Y283Y283-P290 HydrophobicContact CD2-CB 4.09Å; Y283-P290 HydrophobicContact CD2-CG 4.14Å; Y283-P290 HydrophobicContact CE2-CB 4.03Å; Y283-P290 HydrophobicContact CG-CG 4.35Å
291G76.6Confident86.6Confident36 Ų3649.3 Ų49.337%0.37136%0.355SS..THydrogen-bonded Turntrans92.8-17.8-171.900000114.3Y283 H327 S328Y283-G291 PolarHBondContact OH-N 3.39Å; Y283-G291 VanDerWaalsContact OH-N 3.09Å; G291-H327 WeakPolarHBondContact CA-O 3.46Å; G291-S328 WeakPolarHBondContact O-CA 3.42Å
292S80.9Confident86.4Confident39 Ų3951.6 Ų51.627%0.27337%0.37SS..SBendtrans-65.6143.8171-57.10000111.5Y283 S289 V294Y283-S292 WeakPolarHBondContact CE1-O 3.44Å; Y283-S292 PolarHBondContact OH-O 3.08Å; S289-S292 WeakPolarHBondContact O-CB 3.43Å; S289-S292 PolarHBondContact O-N 2.83Å; S289-S292 VanDerWaalsContact O-N 3.11Å; S289-S292 PolarHBondContact O-OG 3.12Å; S289-S292 PolarHBondContact OG-OG 3.17Å; S292-V294 PolarHBondContact O-N 3.03Å
293A81.3Confident86.4Confident67 Ų6751.6 Ų51.655%0.55437%0.37SS*.  trans-80.6108.9176.100000111.1N324A293-N324 WeakPolarHBondContact CA-OD1 3.42Å
294V84Confident86.3Confident8 Ų851.2 Ų51.25%0.04837%0.369CS..  trans-104.7102.2-179-179.20000109.9V282 Y283 A286 V288 S292 V298 W319 N324V282-V294 HydrophobicContact CG1-CB 4.14Å; V282-V294 HydrophobicContact CG1-CG1 3.8Å; Y283-V294 HydrophobicContact CD1-CG2 4.2Å; Y283-V294 HydrophobicContact CE1-CG2 4.03Å; A286-V294 HydrophobicContact CB-CG1 3.78Å; A286-V294 HydrophobicContact CB-CG2 3.91Å; V288-V294 HydrophobicContact CG2-CG2 3.56Å; S292-V294 PolarHBondContact O-N 3.03Å; V294-V298 HydrophobicContact CG1-CG2 3.71Å; V294-W319 HydrophobicContact CB-CZ2 4.22Å; V294-W319 PolarHBondContact O-NE1 2.77Å; V294-N324 PolarHBondContact N-OD1 3.31Å; V294-N324 PolarHBondContact O-OD1 3.03Å
295T82.7Confident86.2Confident55 Ų5550 Ų5034%0.33737%0.366SS..  trans-110.9-18.9-178.554.80000114
296A83.4Confident86.3Confident76 Ų7652.4 Ų52.463%0.62837%0.372SS*.SBendtrans-139.7-177.8-176.200000111.6V298A296-V298 VanDerWaalsContact C-N 3.27Å; A296-V298 PolarHBondContact O-N 3.1Å; A296-V298 VanDerWaalsContact O-N 3.16Å
297G82.7Confident86.4Confident84 Ų8450.8 Ų50.887%0.86636%0.359SS*.SBendtrans80.7-19.2173.300000116.9
298V88.9Confident86.5Confident13 Ų1356.8 Ų56.88%0.07936%0.36CS..  trans-95.1128.8-169.5179.60000113.7V282 M285 A286 V294 A296 W300 V303V282-V298 HydrophobicContact CG1-CG2 4.34Å; V282-V298 HydrophobicContact CG2-CG1 4.49Å; M285-V298 HydrophobicContact CB-CG1 4.4Å; M285-V298 HydrophobicContact CE-CG1 4.36Å; A286-V298 HydrophobicContact CB-CG2 4.12Å; V294-V298 HydrophobicContact CG1-CG2 3.71Å; A296-V298 VanDerWaalsContact C-N 3.27Å; A296-V298 PolarHBondContact O-N 3.1Å; A296-V298 VanDerWaalsContact O-N 3.16Å; V298-W300 HydrophobicContact CB-CZ2 4.29Å; V298-W300 HydrophobicContact CG1-CH2 4.47Å; V298-W300 HydrophobicContact CG1-CZ2 4.46Å; V298-W300 PolarHBondContact O-N 3.31Å; V298-W300 PolarHBondContact O-NE1 3.27Å; V298-V303 HydrophobicContact CG1-CG2 3.36Å
299S91Very high86.5Confident57 Ų5755.4 Ų55.440%0.39935%0.352SS..  trans-78.297171.3169.70000111.5A301 T302 V303S299-A301 PolarHBondContact O-N 3.32Å; S299-T302 WeakPolarHBondContact O-CB 3.31Å; S299-T302 PolarHBondContact O-N 2.99Å; S299-T302 VanDerWaalsContact O-N 3.13Å; S299-T302 PolarHBondContact OG-OG1 3.1Å; S299-V303 WeakPolarHBondContact O-CG2 3.3Å; S299-V303 PolarHBondContact O-N 3.3Å
300W91Very high86.7Confident22 Ų2251.9 Ų51.98%0.08333%0.326CS..Hα-helixtrans-61.3-24.9-176.8-63.4101.3000114.9V282 V298 V303 A304 E312 C315 R316 W319 L320V282-W300 HydrophobicContact CG2-CH2 4.13Å; V282-W300 HydrophobicContact CG2-CZ3 3.86Å; V298-W300 HydrophobicContact CB-CZ2 4.29Å; V298-W300 HydrophobicContact CG1-CH2 4.47Å; V298-W300 HydrophobicContact CG1-CZ2 4.46Å; V298-W300 PolarHBondContact O-N 3.31Å; V298-W300 PolarHBondContact O-NE1 3.27Å; W300-V303 HydrophobicContact CE3-CB 4.34Å; W300-V303 HydrophobicContact CE3-CG1 4.36Å; W300-V303 HydrophobicContact CE3-CG2 4.25Å; W300-V303 HydrophobicContact CZ3-CG1 4.47Å; W300-A304 WeakPolarHBondContact O-CB 3.39Å; W300-A304 PolarHBondContact O-N 3.25Å; W300-E312 HydrophobicContact CB-CG 3.49Å; W300-E312 VanDerWaalsContact CB-CG 3.49Å; W300-C315 HydrophobicContact CE3-CB 4.32Å; W300-R316 HydrophobicContact CB-CB 4.31Å; W300-R316 HydrophobicContact CD2-CB 3.56Å; W300-R316 HydrophobicContact CD2-CG 3.8Å; W300-R316 VanDerWaalsContact CE3-CA 3.48Å; W300-R316 HydrophobicContact CE3-CB 3.84Å; W300-R316 HydrophobicContact CE3-CG 4.44Å; W300-R316 HydrophobicContact CG-CB 3.75Å; W300-R316 HydrophobicContact CG-CG 3.95Å; W300-R316 HydrophobicContact CZ2-CG 4.34Å; W300-W319 HydrophobicContact CH2-CB 3.59Å; W300-W319 AromaticContact CH2-CD1 3.56Å; W300-W319 AromaticContact CH2-CG 3.65Å; W300-W319 HydrophobicContact CH2-CG 3.65Å; W300-W319 HydrophobicContact CZ3-CB 3.84Å; W300-W319 HydrophobicContact CZ3-CG 4.24Å; W300-L320 HydrophobicContact CZ2-CD1 4.45Å; W300-L320 HydrophobicContact CZ2-CD2 4.5Å; W300-L320 HydrophobicContact CZ2-CG 4.31Å
301A89.1Confident86.9Confident35 Ų3548 Ų4829%0.28930%0.301SS..Hα-helixtrans-65.7-50.4173.800000110.4S299 V303 A304 D305S299-A301 PolarHBondContact O-N 3.32Å; A301-V303 VanDerWaalsContact C-N 3.32Å; A301-V303 PolarHBondContact O-N 2.94Å; A301-A304 WeakPolarHBondContact O-CB 3.36Å; A301-A304 PolarHBondContact O-N 2.95Å; A301-A304 VanDerWaalsContact O-N 3.12Å; A301-D305 PolarHBondContact O-N 2.72Å
302T90.1Very high87.5Confident60 Ų6050.6 Ų50.637%0.36830%0.304SS..Hα-helixtrans-61-39175.6-43.40000111.8M285 S299 D305 R306M285-T302 HydrophobicContact CE-CG2 3.98Å; M285-T302 HydrophobicContact SD-CG2 4Å; S299-T302 WeakPolarHBondContact O-CB 3.31Å; S299-T302 PolarHBondContact O-N 2.99Å; S299-T302 VanDerWaalsContact O-N 3.13Å; S299-T302 PolarHBondContact OG-OG1 3.1Å; T302-D305 PolarHBondContact O-N 2.91Å; T302-R306 WeakPolarHBondContact O-CG 3.44Å; T302-R306 PolarHBondContact O-N 2.86Å; T302-R306 VanDerWaalsContact O-N 3.11Å
303V91.5Very high87.8Confident0 Ų056 Ų560%032%0.322CS..Hα-helixtrans-58.8-49.1172.5176.60000110.9L278 V281 V282 M285 V298 S299 W300 A301 D305 R306 V307 C315L278-V303 HydrophobicContact CD1-CG1 3.42Å; L278-V303 VanDerWaalsContact CD1-CG1 3.42Å; V281-V303 HydrophobicContact CG1-CB 4.28Å; V281-V303 HydrophobicContact CG1-CG1 4.18Å; V281-V303 HydrophobicContact CG1-CG2 4.17Å; V282-V303 HydrophobicContact CG2-CG1 4.07Å; V282-V303 HydrophobicContact CG2-CG2 4.16Å; M285-V303 HydrophobicContact CE-CG2 4.46Å; M285-V303 HydrophobicContact SD-CG2 3.66Å; V298-V303 HydrophobicContact CG1-CG2 3.36Å; S299-V303 WeakPolarHBondContact O-CG2 3.3Å; S299-V303 PolarHBondContact O-N 3.3Å; W300-V303 HydrophobicContact CE3-CB 4.34Å; W300-V303 HydrophobicContact CE3-CG1 4.36Å; W300-V303 HydrophobicContact CE3-CG2 4.25Å; W300-V303 HydrophobicContact CZ3-CG1 4.47Å; A301-V303 VanDerWaalsContact C-N 3.32Å; A301-V303 PolarHBondContact O-N 2.94Å; V303-D305 PolarHBondContact O-N 3.17Å; V303-R306 PolarHBondContact O-N 3.14Å; V303-V307 HydrophobicContact CG1-CG2 4.15Å; V303-V307 WeakPolarHBondContact O-CB 3.44Å; V303-V307 VanDerWaalsContact O-CG2 3.3Å; V303-V307 WeakPolarHBondContact O-CG2 3.28Å; V303-V307 PolarHBondContact O-N 3.43Å; V303-C315 HydrophobicContact CG1-CB 4.11Å
304A90.4Very high88.2Confident3 Ų355.1 Ų55.13%0.02531%0.307CS..Hα-helixtrans-63.5-39.6179.900000113W300 A301 R306 V307 R308 R310 E312W300-A304 WeakPolarHBondContact O-CB 3.39Å; W300-A304 PolarHBondContact O-N 3.25Å; A301-A304 WeakPolarHBondContact O-CB 3.36Å; A301-A304 PolarHBondContact O-N 2.95Å; A301-A304 VanDerWaalsContact O-N 3.12Å; A304-R306 VanDerWaalsContact C-N 3.28Å; A304-R306 PolarHBondContact O-N 3.41Å; A304-V307 PolarHBondContact O-N 2.95Å; A304-R308 WeakPolarHBondContact O-CA 3.42Å; A304-R308 PolarHBondContact O-N 3.07Å; A304-R310 WeakPolarHBondContact CB-O 3.36Å; A304-E312 HydrophobicContact CB-CB 4.4Å; A304-E312 VanDerWaalsContact CB-N 3.35Å
305D89Confident88.6Confident92 Ų9254.7 Ų54.749%0.49230%0.304SS..Hα-helixtrans-71.1-22.6179.3-66.3-34.1000113K262 A301 T302 V303 R308K262-D305 IonicContact NZ-OD1 2.68Å; K262-D305 PolarHBondContact NZ-OD1 2.94Å; K262-D305 IonicContact NZ-OD2 3.47Å; A301-D305 PolarHBondContact O-N 2.72Å; T302-D305 PolarHBondContact O-N 2.91Å; V303-D305 PolarHBondContact O-N 3.17Å; D305-R308 VanDerWaalsContact O-CG 3.27Å; D305-R308 WeakPolarHBondContact O-CG 3.25Å
306R90.9Very high89Confident103 Ų10357.4 Ų57.439%0.38931%0.308SS..Hα-helixtrans-84.2-41.7169.8-72.5172162.1-150.2-3.1113.3V281 E284 T302 V303 A304 R308V281-R306 HydrophobicContact CG1-CB 3.97Å; V281-R306 HydrophobicContact CG1-CG 4.44Å; V281-R306 HydrophobicContact CG2-CB 3.91Å; E284-R306 IonicContact OE1-CZ 2.72Å; E284-R306 VanDerWaalsContact OE1-CZ 3.26Å; E284-R306 IonicContact OE1-NH1 3.35Å; E284-R306 PolarHBondContact OE1-NH1 3.28Å; E284-R306 IonicContact OE1-NH2 2.62Å; E284-R306 PolarHBondContact OE1-NH2 2.76Å; E284-R306 IonicContact OE2-CZ 2.7Å; E284-R306 IonicContact OE2-NH1 3.12Å; E284-R306 PolarHBondContact OE2-NH1 3.27Å; E284-R306 IonicContact OE2-NH2 3.92Å; T302-R306 WeakPolarHBondContact O-CG 3.44Å; T302-R306 PolarHBondContact O-N 2.86Å; T302-R306 VanDerWaalsContact O-N 3.11Å; V303-R306 PolarHBondContact O-N 3.14Å; A304-R306 VanDerWaalsContact C-N 3.28Å; A304-R306 PolarHBondContact O-N 3.41Å; R306-R308 VanDerWaalsContact C-N 3.26Å; R306-R308 PolarHBondContact O-N 3.27Å
307V89.8Confident89.3Confident2 Ų256.6 Ų56.61%0.01230%0.298CS..Hα-helixtrans-65.8-30.9175.1169.60000111.5L278 V303 A304 T309 R310L278-V307 HydrophobicContact CB-CG2 4.2Å; L278-V307 HydrophobicContact CD1-CG2 4.28Å; V303-V307 HydrophobicContact CG1-CG2 4.15Å; V303-V307 WeakPolarHBondContact O-CB 3.44Å; V303-V307 VanDerWaalsContact O-CG2 3.3Å; V303-V307 WeakPolarHBondContact O-CG2 3.28Å; V303-V307 PolarHBondContact O-N 3.43Å; A304-V307 PolarHBondContact O-N 2.95Å; V307-T309 PolarHBondContact O-N 3.39Å; V307-R310 HydrophobicContact CG1-CB 4.32Å
308R87.6Confident89.8Confident195 Ų19554.2 Ų54.274%0.73626%0.264SS*.  trans63.5-35.5176.2-64172.7-177.4169.41.6116.6A304 D305 R306A304-R308 WeakPolarHBondContact O-CA 3.42Å; A304-R308 PolarHBondContact O-N 3.07Å; D305-R308 VanDerWaalsContact O-CG 3.27Å; D305-R308 WeakPolarHBondContact O-CG 3.25Å; R306-R308 VanDerWaalsContact C-N 3.26Å; R306-R308 PolarHBondContact O-N 3.27Å
309T87.3Confident90Very high33 Ų3353.6 Ų53.620%0.20226%0.26CS..SBendtrans-86.1-8.8-174.462.20000114.2C265 N266 E274 V307C265-T309 CarbonylContact C-O 3.55Å; C265-T309 WeakPolarHBondContact CA-O 3.49Å; N266-T309 WeakPolarHBondContact CB-O 3.16Å; N266-T309 PolarHBondContact N-O 3.17Å; E274-T309 VanDerWaalsContact OE1-CB 3.23Å; E274-T309 WeakPolarHBondContact OE1-CB 3.46Å; E274-T309 PolarHBondContact OE1-OG1 2.93Å; V307-T309 PolarHBondContact O-N 3.39Å
310R88.1Confident90Very high6 Ų651.1 Ų51.12%0.02324%0.242CC..SBendtrans-141.8148-172.6-60.5-66.4176.7154.68111.7C265 N266 G268 K269 W270 E274 A304 V307 Q314C265-R310 VanDerWaalsContact SG-C 3.59Å; N266-R310 WeakPolarHBondContact O-CD 3.32Å; N266-R310 PolarHBondContact O-NH1 3.1Å; G268-R310 PolarHBondContact O-NH1 3.04Å; K269-R310 PolarHBondContact O-NH2 3.3Å; W270-R310 HydrophobicContact CE3-CG 4.48Å; W270-R310 HydrophobicContact CH2-CB 3.86Å; W270-R310 HydrophobicContact CH2-CG 3.61Å; W270-R310 HydrophobicContact CZ2-CB 4.17Å; W270-R310 HydrophobicContact CZ2-CG 3.82Å; W270-R310 HydrophobicContact CZ3-CG 3.97Å; E274-R310 IonicContact OE1-CZ 3.52Å; E274-R310 IonicContact OE1-NE 2.81Å; E274-R310 PolarHBondContact OE1-NE 3.06Å; E274-R310 IonicContact OE1-NH2 3.36Å; E274-R310 PolarHBondContact OE1-NH2 2.88Å; E274-R310 IonicContact OE2-CZ 2.95Å; E274-R310 IonicContact OE2-NE 3.99Å; E274-R310 PolarHBondContact OE2-NE 3.45Å; E274-R310 IonicContact OE2-NH2 3.15Å; E274-R310 PolarHBondContact OE2-NH2 3.32Å; A304-R310 WeakPolarHBondContact CB-O 3.36Å; V307-R310 HydrophobicContact CG1-CB 4.32Å; R310-Q314 HydrophobicContact CB-CB 4.13Å
311S87.9Confident89.9Confident22 Ų2252.3 Ų52.315%0.15425%0.25CS..  trans-76.9160.3179.564.20000113C265 K313 Q314 C315C265-S311 PolarHBondContact SG-N 3.17Å; S311-K313 VanDerWaalsContact C-N 3.25Å; S311-K313 PolarHBondContact O-N 2.91Å; S311-K313 VanDerWaalsContact O-N 3.16Å; S311-Q314 WeakPolarHBondContact O-CA 3.29Å; S311-Q314 WeakPolarHBondContact O-CB 3.39Å; S311-Q314 PolarHBondContact O-N 3.22Å; S311-Q314 WeakPolarHBondContact OG-CG 3.44Å; S311-Q314 PolarHBondContact OG-OE1 2.68Å; S311-C315 PolarHBondContact O-N 3.05Å
312E89.5Confident89.9Confident90 Ų9054.6 Ų54.642%0.42125%0.252SS..Hα-helixtrans-43.2-50.5174.7-178.5-170.6164.600112.6W300 A304 Q314 C315 R316W300-E312 HydrophobicContact CB-CG 3.49Å; W300-E312 VanDerWaalsContact CB-CG 3.49Å; A304-E312 HydrophobicContact CB-CB 4.4Å; A304-E312 VanDerWaalsContact CB-N 3.35Å; E312-Q314 VanDerWaalsContact C-N 3.34Å; E312-Q314 PolarHBondContact O-N 2.94Å; E312-C315 PolarHBondContact O-N 2.99Å; E312-R316 VanDerWaalsContact O-CB 3.31Å; E312-R316 WeakPolarHBondContact O-CB 3.43Å; E312-R316 PolarHBondContact O-N 3.39Å
313K87.3Confident89.7Confident153 Ų15351.8 Ų51.867%0.66524%0.235SC*.Hα-helixtrans-65.1-35.4-179.3-177175.1178.4179.30112.4S311 S317S311-K313 VanDerWaalsContact C-N 3.25Å; S311-K313 PolarHBondContact O-N 2.91Å; S311-K313 VanDerWaalsContact O-N 3.16Å; K313-S317 WeakPolarHBondContact O-CB 3.37Å; K313-S317 PolarHBondContact O-N 3.49Å; K313-S317 VanDerWaalsContact O-N 3.13Å
314Q89.4Confident89.5Confident48 Ų4852 Ų5222%0.22424%0.236CC..Hα-helixtrans-70.5-49.1176.1-71.6167.4-69.900110.8N266 W270 R310 S311 E312 S317 K318N266-Q314 PolarHBondContact O-NE2 3.31Å; W270-Q314 HydrophobicContact CZ2-CB 4.1Å; R310-Q314 HydrophobicContact CB-CB 4.13Å; S311-Q314 WeakPolarHBondContact O-CA 3.29Å; S311-Q314 WeakPolarHBondContact O-CB 3.39Å; S311-Q314 PolarHBondContact O-N 3.22Å; S311-Q314 WeakPolarHBondContact OG-CG 3.44Å; S311-Q314 PolarHBondContact OG-OE1 2.68Å; E312-Q314 VanDerWaalsContact C-N 3.34Å; E312-Q314 PolarHBondContact O-N 2.94Å; Q314-S317 PolarHBondContact O-N 3Å; Q314-K318 WeakPolarHBondContact O-CB 3.33Å; Q314-K318 PolarHBondContact O-N 2.99Å
315C92.1Very high89.4Confident0 Ų053.4 Ų53.40%024%0.241CC..Hα-helixtrans-57.9-51.9177.7-64.10000111.6L278 W300 V303 S311 E312 S317 K318 W319L278-C315 HydrophobicContact CD1-CB 3.82Å; W300-C315 HydrophobicContact CE3-CB 4.32Å; V303-C315 HydrophobicContact CG1-CB 4.11Å; S311-C315 PolarHBondContact O-N 3.05Å; E312-C315 PolarHBondContact O-N 2.99Å; C315-S317 VanDerWaalsContact C-N 3.33Å; C315-S317 PolarHBondContact O-N 3.15Å; C315-K318 PolarHBondContact O-N 2.66Å; C315-W319 WeakPolarHBondContact O-CB 3.42Å; C315-W319 PolarHBondContact O-N 3.04Å
316R91.6Very high89.3Confident112 Ų11253.4 Ų53.442%0.42324%0.236SC..Hα-helixtrans-57.9-44177.9-175.3173.1-176.7173.32.3112.5W300 E312 L320W300-R316 HydrophobicContact CB-CB 4.31Å; W300-R316 HydrophobicContact CD2-CB 3.56Å; W300-R316 HydrophobicContact CD2-CG 3.8Å; W300-R316 VanDerWaalsContact CE3-CA 3.48Å; W300-R316 HydrophobicContact CE3-CB 3.84Å; W300-R316 HydrophobicContact CE3-CG 4.44Å; W300-R316 HydrophobicContact CG-CB 3.75Å; W300-R316 HydrophobicContact CG-CG 3.95Å; W300-R316 HydrophobicContact CZ2-CG 4.34Å; E312-R316 VanDerWaalsContact O-CB 3.31Å; E312-R316 WeakPolarHBondContact O-CB 3.43Å; E312-R316 PolarHBondContact O-N 3.39Å; R316-L320 HydrophobicContact CG-CD1 3.7Å; R316-L320 WeakPolarHBondContact O-CB 3.5Å; R316-L320 WeakPolarHBondContact O-CG 3.34Å; R316-L320 PolarHBondContact O-N 2.84Å; R316-L320 VanDerWaalsContact O-N 3.08Å
317S90.8Very high88.9Confident58 Ų5851.8 Ų51.841%0.40623%0.233SC..Hα-helixtrans-67.6-45.5179.4-175.50000112K313 Q314 C315 W319 N321K313-S317 WeakPolarHBondContact O-CB 3.37Å; K313-S317 PolarHBondContact O-N 3.49Å; K313-S317 VanDerWaalsContact O-N 3.13Å; Q314-S317 PolarHBondContact O-N 3Å; C315-S317 VanDerWaalsContact C-N 3.33Å; C315-S317 PolarHBondContact O-N 3.15Å; S317-W319 VanDerWaalsContact C-N 3.32Å; S317-W319 PolarHBondContact O-N 3.19Å; S317-N321 WeakPolarHBondContact O-CB 3.41Å; S317-N321 PolarHBondContact O-N 3.05Å; S317-N321 VanDerWaalsContact O-N 3.08Å; S317-N321 PolarHBondContact O-ND2 2.92Å; S317-N321 VanDerWaalsContact O-ND2 3.08Å; S317-N321 PolarHBondContact OG-ND2 2.84Å
318K92.8Very high88.4Confident34 Ų3454 Ų5415%0.14825%0.249CC..Hα-helixtrans-63.7-38.1179.617962.4172.5177.50111.9W270 E275 L278 Q314 C315 Y322 L323W270-K318 HydrophobicContact CD2-CB 4.35Å; W270-K318 HydrophobicContact CD2-CD 4.04Å; W270-K318 HydrophobicContact CD2-CG 3.73Å; W270-K318 HydrophobicContact CE3-CG 4Å; W270-K318 HydrophobicContact CG-CD 4.07Å; W270-K318 HydrophobicContact CG-CG 4.31Å; W270-K318 HydrophobicContact CH2-CB 3.95Å; W270-K318 HydrophobicContact CH2-CG 4.07Å; W270-K318 HydrophobicContact CZ2-CB 3.45Å; W270-K318 VanDerWaalsContact CZ2-CB 3.45Å; W270-K318 HydrophobicContact CZ2-CG 3.76Å; W270-K318 HydrophobicContact CZ3-CG 4.17Å; E275-K318 WeakPolarHBondContact OE1-CE 3.34Å; E275-K318 IonicContact OE1-NZ 3.42Å; E275-K318 PolarHBondContact OE1-NZ 3.45Å; L278-K318 HydrophobicContact CD2-CB 3.95Å; L278-K318 HydrophobicContact CD2-CG 3.83Å; Q314-K318 WeakPolarHBondContact O-CB 3.33Å; Q314-K318 PolarHBondContact O-N 2.99Å; C315-K318 PolarHBondContact O-N 2.66Å; K318-Y322 HydrophobicContact CD-CD1 4.36Å; K318-Y322 VanDerWaalsContact NZ-CD1 3.34Å; K318-Y322 PolarHBondContact O-N 3.33Å; K318-L323 HydrophobicContact CD-CG 4.31Å; K318-L323 HydrophobicContact CG-CD1 3.82Å; K318-L323 HydrophobicContact CG-CG 4.05Å; K318-L323 PolarHBondContact O-N 2.83Å
319W93.6Very high88Confident0 Ų048 Ų480%025%0.248CC..Iπ-helixtrans-67.8-64.5175.9-169.9-99.6000112.1L278 A279 V282 Y283 V294 W300 C315 S317 N321 Y322 L323 N324L278-W319 HydrophobicContact CG-CE3 4.34Å; A279-W319 HydrophobicContact CB-CH2 4.34Å; A279-W319 HydrophobicContact CB-CZ3 3.81Å; V282-W319 HydrophobicContact CB-CD2 4.36Å; V282-W319 HydrophobicContact CB-CE3 4.4Å; V282-W319 HydrophobicContact CB-CZ2 4.46Å; V282-W319 HydrophobicContact CG1-CD2 3.91Å; V282-W319 HydrophobicContact CG1-CE3 4.38Å; V282-W319 HydrophobicContact CG1-CG 4.44Å; V282-W319 HydrophobicContact CG1-CH2 4.23Å; V282-W319 HydrophobicContact CG1-CZ2 3.7Å; V282-W319 HydrophobicContact CG2-CD2 4.31Å; V282-W319 HydrophobicContact CG2-CE3 4.39Å; Y283-W319 HydrophobicContact CD2-CH2 4.46Å; Y283-W319 HydrophobicContact CE1-CH2 4.45Å; Y283-W319 HydrophobicContact CE1-CZ2 4.45Å; Y283-W319 AromaticContact CE2-CH2 3.74Å; Y283-W319 HydrophobicContact CE2-CH2 3.74Å; Y283-W319 HydrophobicContact CE2-CZ2 4.5Å; Y283-W319 AromaticContact CZ-CH2 3.72Å; V294-W319 HydrophobicContact CB-CZ2 4.22Å; V294-W319 PolarHBondContact O-NE1 2.77Å; W300-W319 HydrophobicContact CH2-CB 3.59Å; W300-W319 AromaticContact CH2-CD1 3.56Å; W300-W319 AromaticContact CH2-CG 3.65Å; W300-W319 HydrophobicContact CH2-CG 3.65Å; W300-W319 HydrophobicContact CZ3-CB 3.84Å; W300-W319 HydrophobicContact CZ3-CG 4.24Å; C315-W319 WeakPolarHBondContact O-CB 3.42Å; C315-W319 PolarHBondContact O-N 3.04Å; S317-W319 VanDerWaalsContact C-N 3.32Å; S317-W319 PolarHBondContact O-N 3.19Å; W319-N321 VanDerWaalsContact C-N 3.3Å; W319-N321 PolarHBondContact O-N 3.23Å; W319-Y322 PolarHBondContact O-N 3.04Å; W319-L323 HydrophobicContact CD2-CB 4.28Å; W319-L323 HydrophobicContact CE3-CB 3.5Å; W319-L323 HydrophobicContact CE3-CD1 4.04Å; W319-L323 HydrophobicContact CE3-CG 4.42Å; W319-L323 HydrophobicContact CZ3-CB 3.7Å; W319-L323 HydrophobicContact CZ3-CD1 4.35Å; W319-L323 PolarHBondContact O-N 3.21Å; W319-N324 HydrophobicContact CD2-CB 4.47Å; W319-N324 HydrophobicContact CZ2-CB 4.35Å; W319-N324 WeakPolarHBondContact O-CB 3.41Å; W319-N324 PolarHBondContact O-N 3.4Å
320L90.9Very high87.7Confident5 Ų547.2 Ų47.23%0.02625%0.246CC..Iπ-helixtrans-68.6-24-169.7-65174.6000114W300 R316 S370W300-L320 HydrophobicContact CZ2-CD1 4.45Å; W300-L320 HydrophobicContact CZ2-CD2 4.5Å; W300-L320 HydrophobicContact CZ2-CG 4.31Å; R316-L320 HydrophobicContact CG-CD1 3.7Å; R316-L320 WeakPolarHBondContact O-CB 3.5Å; R316-L320 WeakPolarHBondContact O-CG 3.34Å; R316-L320 PolarHBondContact O-N 2.84Å; R316-L320 VanDerWaalsContact O-N 3.08Å; L320-S370 VanDerWaalsContact O-CB 3.3Å; L320-S370 WeakPolarHBondContact O-CB 3.33Å; L320-S370 PolarHBondContact O-OG 3.32Å
321N88.9Confident87.6Confident48 Ų4848.8 Ų48.826%0.25726%0.26SS..Iπ-helixtrans-98.7-7.1179.6-59.5-48.3000114.2S317 W319 R369S317-N321 WeakPolarHBondContact O-CB 3.41Å; S317-N321 PolarHBondContact O-N 3.05Å; S317-N321 VanDerWaalsContact O-N 3.08Å; S317-N321 PolarHBondContact O-ND2 2.92Å; S317-N321 VanDerWaalsContact O-ND2 3.08Å; S317-N321 PolarHBondContact OG-ND2 2.84Å; W319-N321 VanDerWaalsContact C-N 3.3Å; W319-N321 PolarHBondContact O-N 3.23Å; N321-R369 WeakPolarHBondContact O-CD 3.16Å; N321-R369 PolarHBondContact O-NH1 3.19Å
322Y87.6Confident87.6Confident83 Ų8355.3 Ų55.333%0.32529%0.288SS..Iπ-helixtrans-154.5-63-174.7-176-107.8000115.2K318 W319 N324 W325 K326K318-Y322 HydrophobicContact CD-CD1 4.36Å; K318-Y322 VanDerWaalsContact NZ-CD1 3.34Å; K318-Y322 PolarHBondContact O-N 3.33Å; W319-Y322 PolarHBondContact O-N 3.04Å; Y322-N324 PolarHBondContact O-N 2.71Å; Y322-W325 HydrophobicContact CD2-CE3 4.46Å; Y322-W325 HydrophobicContact CE2-CZ3 4.25Å; Y322-W325 PolarHBondContact O-N 3.4Å; Y322-K326 HydrophobicContact CD1-CD 4.49Å; Y322-K326 HydrophobicContact CE1-CD 3.67Å; Y322-K326 PolarHBondContact O-N 3.24Å
323L87.3Confident87.5Confident0 Ų052.8 Ų52.80%028%0.275CS..Iπ-helixtrans-65.6-38.4-169.3-67.3178.7000113.3E275 L278 K318 W319 W325 K326 H327E275-L323 HydrophobicContact CB-CD1 4.23Å; E275-L323 HydrophobicContact CB-CD2 4.13Å; E275-L323 HydrophobicContact CG-CD1 4.33Å; E275-L323 HydrophobicContact CG-CD2 4.01Å; E275-L323 WeakPolarHBondContact OE2-CD2 3.29Å; L278-L323 HydrophobicContact CB-CD1 4.39Å; L278-L323 HydrophobicContact CD2-CD1 3.67Å; L278-L323 HydrophobicContact CG-CD1 4.09Å; K318-L323 HydrophobicContact CD-CG 4.31Å; K318-L323 HydrophobicContact CG-CD1 3.82Å; K318-L323 HydrophobicContact CG-CG 4.05Å; K318-L323 PolarHBondContact O-N 2.83Å; W319-L323 HydrophobicContact CD2-CB 4.28Å; W319-L323 HydrophobicContact CE3-CB 3.5Å; W319-L323 HydrophobicContact CE3-CD1 4.04Å; W319-L323 HydrophobicContact CE3-CG 4.42Å; W319-L323 HydrophobicContact CZ3-CB 3.7Å; W319-L323 HydrophobicContact CZ3-CD1 4.35Å; W319-L323 PolarHBondContact O-N 3.21Å; L323-W325 VanDerWaalsContact C-N 3.26Å; L323-W325 PolarHBondContact O-N 3.12Å; L323-K326 HydrophobicContact CD2-CD 4.07Å; L323-K326 PolarHBondContact O-N 2.86Å; L323-H327 PolarHBondContact O-CD2 3.5Å; L323-H327 PolarHBondContact O-N 3.39Å
324N86.7Confident87.7Confident5 Ų548.9 Ų48.93%0.02726%0.264CS..Hα-helixtrans-52.1-49.1176.8-173.256000111.4A293 V294 W319 Y322 S328 R369A293-N324 WeakPolarHBondContact CA-OD1 3.42Å; V294-N324 PolarHBondContact N-OD1 3.31Å; V294-N324 PolarHBondContact O-OD1 3.03Å; W319-N324 HydrophobicContact CD2-CB 4.47Å; W319-N324 HydrophobicContact CZ2-CB 4.35Å; W319-N324 WeakPolarHBondContact O-CB 3.41Å; W319-N324 PolarHBondContact O-N 3.4Å; Y322-N324 PolarHBondContact O-N 2.71Å; N324-S328 VanDerWaalsContact O-CB 3.29Å; N324-S328 WeakPolarHBondContact O-CB 3.31Å; N324-S328 PolarHBondContact O-N 2.77Å; N324-S328 PolarHBondContact O-OG 3.34Å; N324-R369 PolarHBondContact ND2-O 2.98Å
325W88.3Confident87.4Confident33 Ų3352.3 Ų52.313%0.12528%0.278CS..Hα-helixtrans-68.8-41.7178.317087.9000113.5Y322 L323 H327 S328 G329 G330 A331 E332 R369Y322-W325 HydrophobicContact CD2-CE3 4.46Å; Y322-W325 HydrophobicContact CE2-CZ3 4.25Å; Y322-W325 PolarHBondContact O-N 3.4Å; L323-W325 VanDerWaalsContact C-N 3.26Å; L323-W325 PolarHBondContact O-N 3.12Å; W325-H327 VanDerWaalsContact C-N 3.32Å; W325-H327 PolarHBondContact O-N 3.26Å; W325-S328 PolarHBondContact O-N 2.73Å; W325-S328 PolarHBondContact O-OG 2.82Å; W325-G329 PolarHBondContact O-N 3Å; W325-G330 VanDerWaalsContact NE1-C 3.29Å; W325-G330 PolarHBondContact NE1-O 3.35Å; W325-G330 PolarHBondContact O-N 2.86Å; W325-A331 PolarHBondContact NE1-O 3.43Å; W325-E332 HydrophobicContact CZ2-CG 4.36Å; W325-R369 HydrophobicContact CB-CB 3.79Å; W325-R369 HydrophobicContact CB-CG 3.7Å; W325-R369 HydrophobicContact CD2-CG 4.34Å; W325-R369 HydrophobicContact CG-CB 4.29Å; W325-R369 HydrophobicContact CG-CG 3.66Å
326K86.4Confident87Confident92 Ų9256.6 Ų56.640%0.430%0.298SS..Hα-helixtrans-61-40.2176.8175.3-178.3171.5179.10111.4E275 Y322 L323E275-K326 IonicContact OE2-NZ 3.8Å; E275-K326 PolarHBondContact OE2-NZ 3.12Å; Y322-K326 HydrophobicContact CD1-CD 4.49Å; Y322-K326 HydrophobicContact CE1-CD 3.67Å; Y322-K326 PolarHBondContact O-N 3.24Å; L323-K326 HydrophobicContact CD2-CD 4.07Å; L323-K326 PolarHBondContact O-N 2.86Å
327H82.3Confident86.8Confident68 Ų6852 Ų5232%0.31528%0.282SS..Hα-helixtrans-81.8-32.7-179.9-73.6-118.1000112.5Y283 G291 L323 W325 G329Y283-H327 WeakPolarHBondContact OH-CB 3.41Å; G291-H327 WeakPolarHBondContact CA-O 3.46Å; L323-H327 PolarHBondContact O-CD2 3.5Å; L323-H327 PolarHBondContact O-N 3.39Å; W325-H327 VanDerWaalsContact C-N 3.32Å; W325-H327 PolarHBondContact O-N 3.26Å; H327-G329 PolarHBondContact O-N 3.29Å
328S80.6Confident86.6Confident50 Ų5050.4 Ų50.435%0.3527%0.269SS..THydrogen-bonded Turntrans-81.58.117878.20000114.7G291 N324 W325 G330G291-S328 WeakPolarHBondContact O-CA 3.42Å; N324-S328 VanDerWaalsContact O-CB 3.29Å; N324-S328 WeakPolarHBondContact O-CB 3.31Å; N324-S328 PolarHBondContact O-N 2.77Å; N324-S328 PolarHBondContact O-OG 3.34Å; W325-S328 PolarHBondContact O-N 2.73Å; W325-S328 PolarHBondContact O-OG 2.82Å; S328-G330 VanDerWaalsContact C-N 3.28Å; S328-G330 PolarHBondContact O-N 2.96Å
329G79.6Confident86.1Confident69 Ų6949.4 Ų49.471%0.71127%0.265SS*.THydrogen-bonded Turntrans60.333.8-178.500000114W325 H327W325-G329 PolarHBondContact O-N 3Å; H327-G329 PolarHBondContact O-N 3.29Å
330G80.7Confident85.8Confident16 Ų1652.3 Ų52.317%0.16528%0.28CS..PPolyproline II helixtrans-65.3152.2-175.500000113.7W325 S328 S366W325-G330 VanDerWaalsContact NE1-C 3.29Å; W325-G330 PolarHBondContact NE1-O 3.35Å; W325-G330 PolarHBondContact O-N 2.86Å; S328-G330 VanDerWaalsContact C-N 3.28Å; S328-G330 PolarHBondContact O-N 2.96Å; G330-S366 CarbonylContact C-O 3.41Å; G330-S366 VanDerWaalsContact CA-O 3.31Å; G330-S366 WeakPolarHBondContact CA-O 3.38Å
331A85.8Confident85.7Confident39 Ų3952 Ų5232%0.32228%0.279SS..PPolyproline II helixtrans-74.4155.318000000111.8W325 S366W325-A331 PolarHBondContact NE1-O 3.43Å; A331-S366 PolarHBondContact N-O 3.38Å
332E86.8Confident85.4Confident158 Ų15849.8 Ų49.874%0.73827%0.267SS*.PPolyproline II helixtrans-68.7146.1171.5-63.4-151.6131.900111.6W325W325-E332 HydrophobicContact CZ2-CG 4.36Å
333W89.2Confident85.1Confident38 Ų3850.6 Ų50.614%0.14427%0.269CS..PPolyproline II helixtrans-87.9119.9-178.4-178.9-75.6000111D337 D338 L341 W365 V368 W373 L374W333-D337 HydrophobicContact CD2-CB 3.52Å; W333-D337 VanDerWaalsContact CE2-CB 3.46Å; W333-D337 HydrophobicContact CE3-CB 3.73Å; W333-D337 HydrophobicContact CG-CB 4.07Å; W333-D337 HydrophobicContact CH2-CB 3.93Å; W333-D337 VanDerWaalsContact CZ2-C 3.48Å; W333-D337 HydrophobicContact CZ2-CB 3.72Å; W333-D337 WeakPolarHBondContact CZ2-O 3.21Å; W333-D337 HydrophobicContact CZ3-CB 3.91Å; W333-D338 VanDerWaalsContact NE1-CG 3.29Å; W333-D338 PolarHBondContact NE1-OD1 3.38Å; W333-L341 HydrophobicContact CH2-CB 4.23Å; W333-L341 HydrophobicContact CH2-CD2 4.18Å; W333-L341 HydrophobicContact CZ2-CB 4.29Å; W333-L341 HydrophobicContact CZ2-CD2 4.15Å; W333-W365 AromaticContact CH2-CH2 3.5Å; W333-W365 HydrophobicContact CH2-CH2 3.5Å; W333-W365 VanDerWaalsContact CH2-CH2 3.5Å; W333-W365 AromaticContact CH2-CZ2 3.54Å; W333-W365 HydrophobicContact CH2-CZ2 3.54Å; W333-W365 HydrophobicContact CH2-CZ3 4.21Å; W333-W365 HydrophobicContact CZ2-CH2 4.48Å; W333-W365 HydrophobicContact CZ2-CZ2 4.47Å; W333-W365 HydrophobicContact CZ3-CD2 4.48Å; W333-W365 AromaticContact CZ3-CE2 3.88Å; W333-W365 AromaticContact CZ3-CH2 3.92Å; W333-W365 HydrophobicContact CZ3-CH2 3.92Å; W333-W365 AromaticContact CZ3-CZ2 3.6Å; W333-W365 HydrophobicContact CZ3-CZ2 3.6Å; W333-W365 HydrophobicContact CZ3-CZ3 4.46Å; W333-V368 HydrophobicContact CZ3-CG2 3.87Å; W333-W373 HydrophobicContact CB-CH2 3.94Å; W333-W373 AromaticContact CD2-CH2 3.55Å; W333-W373 HydrophobicContact CD2-CH2 3.55Å; W333-W373 AromaticContact CD2-CZ3 3.98Å; W333-W373 HydrophobicContact CD2-CZ3 3.98Å; W333-W373 AromaticContact CE3-CH2 3.5Å; W333-W373 HydrophobicContact CE3-CH2 3.5Å; W333-W373 VanDerWaalsContact CE3-CH2 3.5Å; W333-W373 AromaticContact CE3-CZ3 3.48Å; W333-W373 HydrophobicContact CE3-CZ3 3.48Å; W333-W373 VanDerWaalsContact CE3-CZ3 3.48Å; W333-W373 AromaticContact CG-CH2 3.77Å; W333-W373 HydrophobicContact CG-CH2 3.77Å; W333-W373 HydrophobicContact CH2-CZ3 4.48Å; W333-W373 HydrophobicContact CZ3-CH2 4.24Å; W333-W373 AromaticContact CZ3-CZ3 3.79Å; W333-W373 HydrophobicContact CZ3-CZ3 3.79Å; W333-L374 HydrophobicContact CH2-CD1 3.58Å; W333-L374 HydrophobicContact CZ3-CD1 3.9Å
334T89.6Confident85.1Confident70 Ų7054 Ų5443%0.42928%0.282SS..  trans-98.8175-174.671.70000112.9E336 D337 D338T334-E336 VanDerWaalsContact C-N 3.29Å; T334-E336 PolarHBondContact OG1-N 3.23Å; T334-D337 WeakPolarHBondContact CB-OD2 3.32Å; T334-D337 PolarHBondContact N-OD2 2.77Å; T334-D337 WeakPolarHBondContact O-CB 3.09Å; T334-D337 PolarHBondContact O-N 3.32Å; T334-D337 PolarHBondContact OG1-N 3.16Å; T334-D337 VanDerWaalsContact OG1-N 3.1Å; T334-D337 PolarHBondContact OG1-OD2 3.33Å; T334-D338 PolarHBondContact O-N 3.37Å
335K83.5Confident85.1Confident121 Ų12153.9 Ų53.953%0.52628%0.281SS..Hα-helixtrans-66.9-30.2168.6-69.4-174.7178.4-178.70112.5D337 D338 L339K335-D337 VanDerWaalsContact C-N 3.31Å; K335-D338 PolarHBondContact O-N 3.12Å; K335-L339 PolarHBondContact O-N 2.82Å
336E84.3Confident84.7Confident90 Ų9054.6 Ų54.642%0.42129%0.291SS..Hα-helixtrans-69.4-32.6174.4-17258.7-149.900110.5T334 D338 L339 N340 R343T334-E336 VanDerWaalsContact C-N 3.29Å; T334-E336 PolarHBondContact OG1-N 3.23Å; E336-D338 VanDerWaalsContact C-N 3.34Å; E336-D338 PolarHBondContact O-N 3.31Å; E336-L339 PolarHBondContact O-N 3.39Å; E336-N340 WeakPolarHBondContact O-CB 3.38Å; E336-N340 PolarHBondContact O-N 3.48Å; E336-R343 IonicContact OE1-CZ 3.04Å; E336-R343 IonicContact OE1-NH1 2.7Å; E336-R343 PolarHBondContact OE1-NH1 3.18Å
337D88.1Confident84.4Confident16 Ų1654.3 Ų54.39%0.08630%0.301CS..Hα-helixtrans-64.3-35.7171.6-64.5-82.5000112.3W333 T334 K335 N340 L341 W365 S367W333-D337 HydrophobicContact CD2-CB 3.52Å; W333-D337 VanDerWaalsContact CE2-CB 3.46Å; W333-D337 HydrophobicContact CE3-CB 3.73Å; W333-D337 HydrophobicContact CG-CB 4.07Å; W333-D337 HydrophobicContact CH2-CB 3.93Å; W333-D337 VanDerWaalsContact CZ2-C 3.48Å; W333-D337 HydrophobicContact CZ2-CB 3.72Å; W333-D337 WeakPolarHBondContact CZ2-O 3.21Å; W333-D337 HydrophobicContact CZ3-CB 3.91Å; T334-D337 WeakPolarHBondContact CB-OD2 3.32Å; T334-D337 PolarHBondContact N-OD2 2.77Å; T334-D337 WeakPolarHBondContact O-CB 3.09Å; T334-D337 PolarHBondContact O-N 3.32Å; T334-D337 PolarHBondContact OG1-N 3.16Å; T334-D337 VanDerWaalsContact OG1-N 3.1Å; T334-D337 PolarHBondContact OG1-OD2 3.33Å; K335-D337 VanDerWaalsContact C-N 3.31Å; D337-N340 PolarHBondContact O-N 3.18Å; D337-L341 WeakPolarHBondContact O-CB 3.13Å; D337-L341 PolarHBondContact O-N 2.88Å; D337-W365 HydrophobicContact CB-CZ2 3.86Å; D337-W365 PolarHBondContact OD1-NE1 3.23Å; D337-S367 WeakPolarHBondContact OD1-CB 3.15Å; D337-S367 PolarHBondContact OD1-OG 3.32Å
338D85.9Confident84.4Confident24 Ų2453.2 Ų53.213%0.12830%0.299CS..Hα-helixtrans-62.1-44171.7-67.2-44.4000110.6W333 T334 K335 E336 L341 L342 K377 I381 M407W333-D338 VanDerWaalsContact NE1-CG 3.29Å; W333-D338 PolarHBondContact NE1-OD1 3.38Å; T334-D338 PolarHBondContact O-N 3.37Å; K335-D338 PolarHBondContact O-N 3.12Å; E336-D338 VanDerWaalsContact C-N 3.34Å; E336-D338 PolarHBondContact O-N 3.31Å; D338-L341 WeakPolarHBondContact O-CB 3.42Å; D338-L341 PolarHBondContact O-N 3.28Å; D338-L342 WeakPolarHBondContact O-CG 3.36Å; D338-L342 PolarHBondContact O-N 3.28Å; D338-K377 IonicContact OD1-NZ 3.42Å; D338-K377 PolarHBondContact OD1-NZ 3.19Å; D338-K377 IonicContact OD2-NZ 3.59Å; D338-I381 HydrophobicContact CB-CD1 3.99Å; D338-I381 WeakPolarHBondContact OD1-CD1 3.29Å; D338-M407 HydrophobicContact CB-CE 4.13Å
339L81.8Confident83.8Confident12 Ų1260.9 Ų60.96%0.06333%0.326CS..Hα-helixtrans-66.1-40.5174.2-65.9-177.2000112.9K335 E336 L341 L342 R343 E404 M407K335-L339 PolarHBondContact O-N 2.82Å; E336-L339 PolarHBondContact O-N 3.39Å; L339-L341 VanDerWaalsContact C-N 3.28Å; L339-L341 PolarHBondContact O-N 3.23Å; L339-L342 HydrophobicContact CD2-CD1 4.25Å; L339-L342 WeakPolarHBondContact O-CB 3.11Å; L339-L342 PolarHBondContact O-N 3.02Å; L339-R343 WeakPolarHBondContact O-CG 3.5Å; L339-R343 PolarHBondContact O-N 3.08Å; L339-E404 HydrophobicContact CD2-CG 3.67Å; L339-M407 HydrophobicContact CD2-CE 4.25Å; L339-M407 HydrophobicContact CD2-SD 3.57Å; L339-M407 VanDerWaalsContact CD2-SD 3.57Å; L339-M407 HydrophobicContact CG-SD 3.86Å
340N87.4Confident83.6Confident61 Ų6159.7 Ų59.733%0.32631%0.305SS..Hα-helixtrans-63.7-35.4177.2-132.8-45.5000111.1E336 D337 R343 R344 W365E336-N340 WeakPolarHBondContact O-CB 3.38Å; E336-N340 PolarHBondContact O-N 3.48Å; D337-N340 PolarHBondContact O-N 3.18Å; N340-R343 PolarHBondContact O-N 3.26Å; N340-R344 WeakPolarHBondContact O-CB 3.37Å; N340-R344 WeakPolarHBondContact O-CG 3.45Å; N340-R344 PolarHBondContact O-N 3.29Å; N340-W365 HydrophobicContact CB-CH2 4.15Å; N340-W365 HydrophobicContact CB-CZ2 3.96Å
341L88.2Confident82.8Confident0 Ų068.1 Ų68.10%034%0.34CS..Hα-helixtrans-62.9-46174.6-177.652.5000111.1W333 D337 D338 L339 R344 I345 W365 L374 K377 W378 I381W333-L341 HydrophobicContact CH2-CB 4.23Å; W333-L341 HydrophobicContact CH2-CD2 4.18Å; W333-L341 HydrophobicContact CZ2-CB 4.29Å; W333-L341 HydrophobicContact CZ2-CD2 4.15Å; D337-L341 WeakPolarHBondContact O-CB 3.13Å; D337-L341 PolarHBondContact O-N 2.88Å; D338-L341 WeakPolarHBondContact O-CB 3.42Å; D338-L341 PolarHBondContact O-N 3.28Å; L339-L341 VanDerWaalsContact C-N 3.28Å; L339-L341 PolarHBondContact O-N 3.23Å; L341-R344 PolarHBondContact O-N 2.77Å; L341-I345 HydrophobicContact CD1-CD1 3.72Å; L341-I345 HydrophobicContact CD1-CG1 4.08Å; L341-I345 HydrophobicContact CG-CD1 3.9Å; L341-I345 WeakPolarHBondContact O-CB 3.29Å; L341-I345 VanDerWaalsContact O-CG1 3.28Å; L341-I345 WeakPolarHBondContact O-CG1 3.4Å; L341-I345 PolarHBondContact O-N 3.44Å; L341-W365 HydrophobicContact CB-CH2 3.85Å; L341-W365 HydrophobicContact CB-CZ3 4.46Å; L341-W365 HydrophobicContact CD1-CH2 4.41Å; L341-W365 HydrophobicContact CD1-CZ3 4.19Å; L341-L374 HydrophobicContact CD1-CD1 3.7Å; L341-L374 HydrophobicContact CD1-CD2 4.18Å; L341-L374 HydrophobicContact CD1-CG 3.86Å; L341-L374 HydrophobicContact CD2-CD1 3.86Å; L341-L374 HydrophobicContact CG-CD1 4.37Å; L341-K377 HydrophobicContact CD2-CB 4.31Å; L341-W378 HydrophobicContact CD2-CB 4.18Å; L341-I381 HydrophobicContact CD2-CD1 3.95Å
342L83.1Confident81.9Confident0 Ų067.1 Ų67.10%033%0.329CS..Hα-helixtrans-61.5-46.4177-62.7172.8000111.5D338 L339 I345 S346 W378 I381 L400 L403D338-L342 WeakPolarHBondContact O-CG 3.36Å; D338-L342 PolarHBondContact O-N 3.28Å; L339-L342 HydrophobicContact CD2-CD1 4.25Å; L339-L342 WeakPolarHBondContact O-CB 3.11Å; L339-L342 PolarHBondContact O-N 3.02Å; L342-I345 PolarHBondContact O-N 2.99Å; L342-S346 WeakPolarHBondContact O-CB 3.35Å; L342-S346 PolarHBondContact O-N 3.08Å; L342-W378 HydrophobicContact CD2-CE3 4.12Å; L342-W378 HydrophobicContact CD2-CZ3 3.64Å; L342-I381 HydrophobicContact CD2-CG2 4.05Å; L342-L400 HydrophobicContact CB-CD2 3.42Å; L342-L400 VanDerWaalsContact CB-CD2 3.42Å; L342-L400 HydrophobicContact CB-CG 3.8Å; L342-L400 HydrophobicContact CD1-CD2 4.16Å; L342-L400 HydrophobicContact CG-CD2 4.41Å; L342-L403 HydrophobicContact CD1-CB 3.93Å; L342-L403 HydrophobicContact CD1-CD1 3.66Å; L342-L403 HydrophobicContact CD1-CG 4.42Å; L342-L403 HydrophobicContact CD2-CD1 3.95Å; L342-L403 HydrophobicContact CG-CD1 4.46Å
343R82.5Confident81.3Confident100 Ų10060.3 Ų60.338%0.37730%0.297SS..Hα-helixtrans-63.3-44.5177.5-68.1175.2-166.8141.66.9111.9E336 L339 N340 S346 S347 L400 E404E336-R343 IonicContact OE1-CZ 3.04Å; E336-R343 IonicContact OE1-NH1 2.7Å; E336-R343 PolarHBondContact OE1-NH1 3.18Å; L339-R343 WeakPolarHBondContact O-CG 3.5Å; L339-R343 PolarHBondContact O-N 3.08Å; N340-R343 PolarHBondContact O-N 3.26Å; R343-S346 PolarHBondContact O-N 3.07Å; R343-S347 PolarHBondContact O-N 3.08Å; R343-L400 HydrophobicContact CG-CD2 4.21Å; R343-E404 IonicContact CZ-OE1 2.96Å; R343-E404 IonicContact NE-OE1 3.31Å; R343-E404 PolarHBondContact NE-OE1 3.03Å; R343-E404 IonicContact NH2-OE1 2.82Å; R343-E404 PolarHBondContact NH2-OE1 3.32Å
344R87.4Confident80.5Confident73 Ų7360.5 Ų60.528%0.27530%0.301SS..Hα-helixtrans-60.9-48.5174.7-75.1-173.6-173.9-148.7-0.8111.5N340 L341 S346 S347 V348 L361N340-R344 WeakPolarHBondContact O-CB 3.37Å; N340-R344 WeakPolarHBondContact O-CG 3.45Å; N340-R344 PolarHBondContact O-N 3.29Å; L341-R344 PolarHBondContact O-N 2.77Å; R344-S346 VanDerWaalsContact C-N 3.33Å; R344-S346 PolarHBondContact O-N 3.38Å; R344-S347 WeakPolarHBondContact O-CB 3.03Å; R344-S347 PolarHBondContact O-N 3.13Å; R344-S347 VanDerWaalsContact O-N 3.1Å; R344-S347 PolarHBondContact O-OG 3.01Å; R344-V348 PolarHBondContact O-N 3.2Å; R344-L361 HydrophobicContact CB-CD2 3.81Å; R344-L361 PolarHBondContact NH1-O 2.57Å
345I85Confident79.8Confident1 Ų160.3 Ų60.31%0.00530%0.298CS..Hα-helixtrans-60.1-43.5177.6-69.6170.5000110.7L341 L342 S347 V348 I356 W358 L361 W378 F393 V396L341-I345 HydrophobicContact CD1-CD1 3.72Å; L341-I345 HydrophobicContact CD1-CG1 4.08Å; L341-I345 HydrophobicContact CG-CD1 3.9Å; L341-I345 WeakPolarHBondContact O-CB 3.29Å; L341-I345 VanDerWaalsContact O-CG1 3.28Å; L341-I345 WeakPolarHBondContact O-CG1 3.4Å; L341-I345 PolarHBondContact O-N 3.44Å; L342-I345 PolarHBondContact O-N 2.99Å; I345-S347 VanDerWaalsContact C-N 3.26Å; I345-S347 PolarHBondContact O-N 3.33Å; I345-V348 PolarHBondContact O-N 3.44Å; I345-V348 VanDerWaalsContact O-N 3.14Å; I345-I356 HydrophobicContact CG2-CD1 4.27Å; I345-W358 HydrophobicContact CD1-CH2 3.93Å; I345-W358 HydrophobicContact CD1-CZ3 4.17Å; I345-L361 HydrophobicContact CG1-CD1 3.93Å; I345-W378 HydrophobicContact CD1-CB 4.11Å; I345-W378 HydrophobicContact CD1-CD2 3.7Å; I345-W378 HydrophobicContact CD1-CE3 3.64Å; I345-W378 HydrophobicContact CD1-CG 3.91Å; I345-W378 HydrophobicContact CD1-CZ3 4.36Å; I345-F393 HydrophobicContact CG2-CE2 3.93Å; I345-F393 HydrophobicContact CG2-CZ 3.73Å; I345-V396 HydrophobicContact CG2-CG1 4.29Å
346S79.9Confident79.8Confident48 Ų4854.9 Ų54.934%0.33627%0.274SS..Hα-helixtrans-68.3-19.9176.9-169.10000114.5L342 R343 R344L342-S346 WeakPolarHBondContact O-CB 3.35Å; L342-S346 PolarHBondContact O-N 3.08Å; R343-S346 PolarHBondContact O-N 3.07Å; R344-S346 VanDerWaalsContact C-N 3.33Å; R344-S346 PolarHBondContact O-N 3.38Å
347S80.9Confident79.8Confident86 Ų8656.9 Ų56.960%0.60128%0.282SS*.Hα-helixtrans-79.8-25.2172.678.30000112.8R343 R344 I345 K349R343-S347 PolarHBondContact O-N 3.08Å; R344-S347 WeakPolarHBondContact O-CB 3.03Å; R344-S347 PolarHBondContact O-N 3.13Å; R344-S347 VanDerWaalsContact O-N 3.1Å; R344-S347 PolarHBondContact O-OG 3.01Å; I345-S347 VanDerWaalsContact C-N 3.26Å; I345-S347 PolarHBondContact O-N 3.33Å; S347-K349 PolarHBondContact O-N 3.5Å; S347-K349 VanDerWaalsContact O-N 3.07Å
348V82.3Confident79.9Confident46 Ų4656.6 Ų56.628%0.27928%0.279SS..SBendtrans-77.793.6174.6175.40000108.1R344 I345 V350 L361R344-V348 PolarHBondContact O-N 3.2Å; I345-V348 PolarHBondContact O-N 3.44Å; I345-V348 VanDerWaalsContact O-N 3.14Å; V348-V350 HydrophobicContact CG1-CB 4.01Å; V348-V350 HydrophobicContact CG1-CG2 3.51Å; V348-V350 PolarHBondContact O-N 3.45Å; V348-L361 HydrophobicContact CG2-CD2 3.85Å; V348-L361 HydrophobicContact CG2-CG 4.5Å
349K68.8Low79.9Confident211 Ų21160.1 Ų60.192%0.91730%0.295SS*.  trans-6780.3175.9-66-173.9-179.8-176.40111S347S347-K349 PolarHBondContact O-N 3.5Å; S347-K349 VanDerWaalsContact O-N 3.07Å
350V75.3Confident80.1Confident44 Ų4464.4 Ų64.427%0.26732%0.318SS..  trans-127.7143.8-180161.40000108.7V348 D352 D355 F393V348-V350 HydrophobicContact CG1-CB 4.01Å; V348-V350 HydrophobicContact CG1-CG2 3.51Å; V348-V350 PolarHBondContact O-N 3.45Å; V350-D352 WeakPolarHBondContact CG1-O 3.3Å; V350-D355 HydrophobicContact CG1-CB 3.57Å; V350-F393 WeakPolarHBondContact O-CD1 3.28Å; V350-F393 VanDerWaalsContact O-CE1 3.23Å; V350-F393 WeakPolarHBondContact O-CE1 3.47Å
351E63.4Low80.1Confident192 Ų19262 Ų6290%0.89731%0.305SS*.SBendtrans-85.7-29.3-174.7-60.4176.2166.500112.9
352D66.5Low80.1Confident19 Ų1962.8 Ų62.810%0.10231%0.312CS..SBendtrans-124.7131.6-174.9-168.8-42.6000111.1K146 V350 N354 D355K146-D352 IonicContact NZ-OD2 2.71Å; K146-D352 PolarHBondContact NZ-OD2 3.09Å; V350-D352 WeakPolarHBondContact CG1-O 3.3Å; D352-N354 PolarHBondContact O-N 2.58Å; D352-N354 WeakPolarHBondContact OD1-CB 3.34Å; D352-N354 PolarHBondContact OD1-N 3.04Å; D352-N354 PolarHBondContact OD1-ND2 3Å; D352-D355 PolarHBondContact O-N 3.21Å
353E73.6Confident80.2Confident14 Ų1473 Ų737%0.06535%0.35CS..THydrogen-bonded Turntrans-57.9-19.6178.7-156.1-163.5116.900113.6I356 W378 W379 K382 F393E353-I356 HydrophobicContact CB-CD1 4.42Å; E353-I356 HydrophobicContact CG-CD1 3.71Å; E353-I356 WeakPolarHBondContact O-CG1 3.2Å; E353-W378 PolarHBondContact OE1-NE1 2.97Å; E353-W378 PolarHBondContact OE2-NE1 3.19Å; E353-W379 VanDerWaalsContact OE1-CE2 3.22Å; E353-W379 WeakPolarHBondContact OE1-CZ2 3.45Å; E353-W379 PolarHBondContact OE1-NE1 2.95Å; E353-K382 IonicContact OE2-NZ 2.71Å; E353-K382 PolarHBondContact OE2-NZ 3.01Å; E353-F393 HydrophobicContact CB-CD2 3.84Å; E353-F393 HydrophobicContact CB-CE2 4.19Å; E353-F393 HydrophobicContact CB-CG 4.39Å; E353-F393 HydrophobicContact CG-CD2 3.89Å; E353-F393 HydrophobicContact CG-CE2 3.87Å
354N72.3Confident80.2Confident42 Ų4271.9 Ų71.923%0.22537%0.37CS..THydrogen-bonded Turntrans-78.8-22.3176.5-64.1-75.6000114M149 D352 I356 R375M149-N354 VanDerWaalsContact CB-OD1 3.25Å; M149-N354 WeakPolarHBondContact CB-OD1 3.21Å; D352-N354 PolarHBondContact O-N 2.58Å; D352-N354 WeakPolarHBondContact OD1-CB 3.34Å; D352-N354 PolarHBondContact OD1-N 3.04Å; D352-N354 PolarHBondContact OD1-ND2 3Å; N354-I356 VanDerWaalsContact C-N 3.29Å; N354-R375 PolarHBondContact OD1-NH2 3.43Å
355D76.4Confident80.2Confident66 Ų6669.5 Ų69.535%0.35336%0.361SS..SBendtrans-84.7-1.7176.5-81.3-63.6000113R144 V350 D352 K357R144-D355 IonicContact CZ-OD1 2.75Å; R144-D355 IonicContact NH2-OD1 3.06Å; R144-D355 PolarHBondContact NH2-OD1 3.3Å; V350-D355 HydrophobicContact CG1-CB 3.57Å; D352-D355 PolarHBondContact O-N 3.21Å; D355-K357 PolarHBondContact O-N 2.88Å
356I82.8Confident80Confident8 Ų873.1 Ų73.14%0.04139%0.387CS..  trans-64.7117171.4-59174.8000109.9I345 E353 N354 W358 L361 F393I345-I356 HydrophobicContact CG2-CD1 4.27Å; E353-I356 HydrophobicContact CB-CD1 4.42Å; E353-I356 HydrophobicContact CG-CD1 3.71Å; E353-I356 WeakPolarHBondContact O-CG1 3.2Å; N354-I356 VanDerWaalsContact C-N 3.29Å; I356-W358 HydrophobicContact CB-CZ2 4.07Å; I356-W358 HydrophobicContact CD1-CH2 4.29Å; I356-W358 HydrophobicContact CD1-CZ2 3.82Å; I356-W358 HydrophobicContact CG2-CD2 3.96Å; I356-W358 HydrophobicContact CG2-CE3 4.43Å; I356-W358 HydrophobicContact CG2-CG 4.37Å; I356-W358 HydrophobicContact CG2-CH2 4.23Å; I356-W358 HydrophobicContact CG2-CZ2 3.75Å; I356-W358 PolarHBondContact O-N 3.33Å; I356-W358 PolarHBondContact O-NE1 3.05Å; I356-L361 HydrophobicContact CG2-CD1 3.36Å; I356-L361 HydrophobicContact CG2-CG 4.37Å; I356-F393 HydrophobicContact CD1-CE2 3.73Å; I356-F393 HydrophobicContact CD1-CZ 3.63Å; I356-F393 HydrophobicContact CG1-CZ 4.17Å
357K85.1Confident80.4Confident131 Ų13171.3 Ų71.357%0.5737%0.374SS*.  trans-79102.4168.3-65.6179.6178.1-177.80110.2D355 E359 D360 L361D355-K357 PolarHBondContact O-N 2.88Å; K357-E359 VanDerWaalsContact C-N 3.27Å; K357-E359 PolarHBondContact O-N 3.14Å; K357-D360 HydrophobicContact CB-CB 4.07Å; K357-D360 WeakPolarHBondContact CD-OD2 3.39Å; K357-D360 IonicContact NZ-OD2 3.77Å; K357-L361 PolarHBondContact O-N 3.23Å
358W88.3Confident80.7Confident10 Ų1068.1 Ų68.14%0.03835%0.351CS..Hα-helixtrans-72.8-25-177.8-6589.1000112.3I345 I356 L361 A362 P371 L374 R375 W378I345-W358 HydrophobicContact CD1-CH2 3.93Å; I345-W358 HydrophobicContact CD1-CZ3 4.17Å; I356-W358 HydrophobicContact CB-CZ2 4.07Å; I356-W358 HydrophobicContact CD1-CH2 4.29Å; I356-W358 HydrophobicContact CD1-CZ2 3.82Å; I356-W358 HydrophobicContact CG2-CD2 3.96Å; I356-W358 HydrophobicContact CG2-CE3 4.43Å; I356-W358 HydrophobicContact CG2-CG 4.37Å; I356-W358 HydrophobicContact CG2-CH2 4.23Å; I356-W358 HydrophobicContact CG2-CZ2 3.75Å; I356-W358 PolarHBondContact O-N 3.33Å; I356-W358 PolarHBondContact O-NE1 3.05Å; W358-L361 HydrophobicContact CE3-CD1 4.16Å; W358-L361 HydrophobicContact CZ3-CD1 4.19Å; W358-A362 WeakPolarHBondContact O-CB 3.47Å; W358-A362 PolarHBondContact O-N 3.01Å; W358-P371 HydrophobicContact CB-CB 3.79Å; W358-L374 HydrophobicContact CE3-CB 4.24Å; W358-L374 HydrophobicContact CE3-CD2 4.41Å; W358-L374 HydrophobicContact CE3-CG 4.14Å; W358-L374 HydrophobicContact CZ3-CG 4.31Å; W358-R375 HydrophobicContact CD2-CB 3.6Å; W358-R375 HydrophobicContact CD2-CG 4.05Å; W358-R375 HydrophobicContact CE3-CB 3.85Å; W358-R375 HydrophobicContact CG-CB 4.04Å; W358-R375 HydrophobicContact CH2-CB 4.43Å; W358-R375 HydrophobicContact CH2-CG 4.42Å; W358-R375 HydrophobicContact CZ2-CB 4.19Å; W358-R375 HydrophobicContact CZ2-CG 3.86Å; W358-R375 HydrophobicContact CZ3-CB 4.26Å; W358-W378 HydrophobicContact CH2-CB 3.61Å; W358-W378 AromaticContact CH2-CD1 3.49Å; W358-W378 VanDerWaalsContact CH2-CD1 3.49Å; W358-W378 AromaticContact CH2-CG 3.63Å; W358-W378 HydrophobicContact CH2-CG 3.63Å; W358-W378 AromaticContact CZ2-CD1 3.92Å; W358-W378 HydrophobicContact CZ2-CG 4.48Å; W358-W378 HydrophobicContact CZ3-CB 3.93Å; W358-W378 HydrophobicContact CZ3-CG 4.42Å
359E86.1Confident81Confident99 Ų9968.7 Ų68.746%0.46335%0.348SS..Hα-helixtrans-63.2-52.2173.9-68.463.1-146.700110.7K357 L361 A362 W363 P371 Q372K357-E359 VanDerWaalsContact C-N 3.27Å; K357-E359 PolarHBondContact O-N 3.14Å; E359-L361 PolarHBondContact O-N 3.48Å; E359-A362 PolarHBondContact O-N 3.37Å; E359-W363 PolarHBondContact O-N 2.9Å; E359-P371 HydrophobicContact CB-CG 4.46Å; E359-P371 HydrophobicContact CG-CB 4.29Å; E359-P371 HydrophobicContact CG-CG 4.03Å; E359-P371 WeakPolarHBondContact OE1-CB 3.26Å; E359-Q372 PolarHBondContact OE1-NE2 3.14Å
360D86.8Confident81.9Confident101 Ų10158.8 Ų58.854%0.5431%0.305SS..Hα-helixtrans-63.4-41.9177.7-59.45.3000111.1K357 A362 W363K357-D360 HydrophobicContact CB-CB 4.07Å; K357-D360 WeakPolarHBondContact CD-OD2 3.39Å; K357-D360 IonicContact NZ-OD2 3.77Å; D360-A362 VanDerWaalsContact C-N 3.34Å; D360-A362 PolarHBondContact O-N 2.77Å; D360-W363 WeakPolarHBondContact O-CB 3.26Å; D360-W363 PolarHBondContact O-N 2.83Å
361L87.5Confident82.6Confident11 Ų1157 Ų576%0.05830%0.295CS..Hα-helixtrans-64.2-34.3176.7-81.2-179.2000113.9R344 I345 V348 I356 K357 W358 E359 W363 L374R344-L361 HydrophobicContact CB-CD2 3.81Å; R344-L361 PolarHBondContact NH1-O 2.57Å; I345-L361 HydrophobicContact CG1-CD1 3.93Å; V348-L361 HydrophobicContact CG2-CD2 3.85Å; V348-L361 HydrophobicContact CG2-CG 4.5Å; I356-L361 HydrophobicContact CG2-CD1 3.36Å; I356-L361 HydrophobicContact CG2-CG 4.37Å; K357-L361 PolarHBondContact O-N 3.23Å; W358-L361 HydrophobicContact CE3-CD1 4.16Å; W358-L361 HydrophobicContact CZ3-CD1 4.19Å; E359-L361 PolarHBondContact O-N 3.48Å; L361-W363 VanDerWaalsContact C-N 3.33Å; L361-L374 HydrophobicContact CB-CD2 4.08Å
362A87.3Confident83.7Confident17 Ų1750.9 Ų50.914%0.1427%0.266CS..Hα-helixtrans-79.6-14.2179.500000113.3W358 E359 D360 G364 W365 V368 P371 L374W358-A362 WeakPolarHBondContact O-CB 3.47Å; W358-A362 PolarHBondContact O-N 3.01Å; E359-A362 PolarHBondContact O-N 3.37Å; D360-A362 VanDerWaalsContact C-N 3.34Å; D360-A362 PolarHBondContact O-N 2.77Å; A362-G364 PolarHBondContact O-N 3.45Å; A362-W365 PolarHBondContact O-N 3.04Å; A362-V368 HydrophobicContact CB-CB 4.47Å; A362-V368 HydrophobicContact CB-CG1 3.73Å; A362-P371 HydrophobicContact CB-CG 4.1Å; A362-L374 HydrophobicContact CB-CD2 4.1Å
363W85.3Confident84.9Confident214 Ų21451.2 Ų51.281%0.81127%0.266SS*.THydrogen-bonded Turntrans-59.9137.1-175.2-170.3-92.4000112.3E359 D360 L361 W365E359-W363 PolarHBondContact O-N 2.9Å; D360-W363 WeakPolarHBondContact O-CB 3.26Å; D360-W363 PolarHBondContact O-N 2.83Å; L361-W363 VanDerWaalsContact C-N 3.33Å; W363-W365 PolarHBondContact O-N 3.16Å; W363-W365 VanDerWaalsContact O-N 3.12Å
364G82.4Confident85.7Confident77 Ų7750.5 Ų50.579%0.79426%0.263SS*.THydrogen-bonded Turntrans65.37178.100000116.2A362A362-G364 PolarHBondContact O-N 3.45Å
365W87.2Confident86.5Confident22 Ų2251.8 Ų51.88%0.08326%0.264CS..  trans-107.296.8-172.2-165.5-2.1000111.6W333 D337 N340 L341 A362 W363 S367 V368 L374W333-W365 AromaticContact CH2-CH2 3.5Å; W333-W365 HydrophobicContact CH2-CH2 3.5Å; W333-W365 VanDerWaalsContact CH2-CH2 3.5Å; W333-W365 AromaticContact CH2-CZ2 3.54Å; W333-W365 HydrophobicContact CH2-CZ2 3.54Å; W333-W365 HydrophobicContact CH2-CZ3 4.21Å; W333-W365 HydrophobicContact CZ2-CH2 4.48Å; W333-W365 HydrophobicContact CZ2-CZ2 4.47Å; W333-W365 HydrophobicContact CZ3-CD2 4.48Å; W333-W365 AromaticContact CZ3-CE2 3.88Å; W333-W365 AromaticContact CZ3-CH2 3.92Å; W333-W365 HydrophobicContact CZ3-CH2 3.92Å; W333-W365 AromaticContact CZ3-CZ2 3.6Å; W333-W365 HydrophobicContact CZ3-CZ2 3.6Å; W333-W365 HydrophobicContact CZ3-CZ3 4.46Å; D337-W365 HydrophobicContact CB-CZ2 3.86Å; D337-W365 PolarHBondContact OD1-NE1 3.23Å; N340-W365 HydrophobicContact CB-CH2 4.15Å; N340-W365 HydrophobicContact CB-CZ2 3.96Å; L341-W365 HydrophobicContact CB-CH2 3.85Å; L341-W365 HydrophobicContact CB-CZ3 4.46Å; L341-W365 HydrophobicContact CD1-CH2 4.41Å; L341-W365 HydrophobicContact CD1-CZ3 4.19Å; A362-W365 PolarHBondContact O-N 3.04Å; W363-W365 PolarHBondContact O-N 3.16Å; W363-W365 VanDerWaalsContact O-N 3.12Å; W365-S367 PolarHBondContact O-N 3.47Å; W365-S367 VanDerWaalsContact O-N 3.17Å; W365-V368 HydrophobicContact CB-CB 4.39Å; W365-V368 HydrophobicContact CB-CG2 3.72Å; W365-V368 HydrophobicContact CD2-CG2 3.39Å; W365-V368 HydrophobicContact CE3-CG2 3.45Å; W365-V368 VanDerWaalsContact CE3-CG2 3.45Å; W365-V368 HydrophobicContact CG-CG2 3.53Å; W365-V368 HydrophobicContact CZ3-CG2 4.21Å; W365-V368 WeakPolarHBondContact O-CB 3.34Å; W365-V368 PolarHBondContact O-N 3.38Å; W365-L374 HydrophobicContact CE3-CD2 4.48Å; W365-L374 HydrophobicContact CZ3-CD1 4.21Å; W365-L374 HydrophobicContact CZ3-CD2 4.34Å
366S82.4Confident87.1Confident78 Ų7852 Ų5255%0.54527%0.271SS..THydrogen-bonded Turntrans-62.1-22.2-17452.20000115.2G330 A331 V368G330-S366 CarbonylContact C-O 3.41Å; G330-S366 VanDerWaalsContact CA-O 3.31Å; G330-S366 WeakPolarHBondContact CA-O 3.38Å; A331-S366 PolarHBondContact N-O 3.38Å; S366-V368 VanDerWaalsContact C-N 3.28Å
367S87Confident87.4Confident10 Ų1054 Ų547%0.0728%0.279CS..THydrogen-bonded Turntrans-72.7-18.7172.7-38.30000113.1D337 W365D337-S367 WeakPolarHBondContact OD1-CB 3.15Å; D337-S367 PolarHBondContact OD1-OG 3.32Å; W365-S367 PolarHBondContact O-N 3.47Å; W365-S367 VanDerWaalsContact O-N 3.17Å
368V88.4Confident87.5Confident19 Ų1947.8 Ų47.812%0.11525%0.252CS..  trans-84.4123.3-176.3179.90000111.1W333 A362 W365 S366 S370 W373 L374W333-V368 HydrophobicContact CZ3-CG2 3.87Å; A362-V368 HydrophobicContact CB-CB 4.47Å; A362-V368 HydrophobicContact CB-CG1 3.73Å; W365-V368 HydrophobicContact CB-CB 4.39Å; W365-V368 HydrophobicContact CB-CG2 3.72Å; W365-V368 HydrophobicContact CD2-CG2 3.39Å; W365-V368 HydrophobicContact CE3-CG2 3.45Å; W365-V368 VanDerWaalsContact CE3-CG2 3.45Å; W365-V368 HydrophobicContact CG-CG2 3.53Å; W365-V368 HydrophobicContact CZ3-CG2 4.21Å; W365-V368 WeakPolarHBondContact O-CB 3.34Å; W365-V368 PolarHBondContact O-N 3.38Å; S366-V368 VanDerWaalsContact C-N 3.28Å; V368-S370 WeakPolarHBondContact CG1-O 3.48Å; V368-W373 HydrophobicContact CG1-CE3 4.46Å; V368-L374 HydrophobicContact CG1-CB 3.97Å; V368-L374 HydrophobicContact CG1-CD1 4.35Å; V368-L374 HydrophobicContact CG1-CD2 4.2Å; V368-L374 HydrophobicContact CG1-CG 4.41Å; V368-L374 HydrophobicContact CG2-CD1 3.91Å; V368-L374 HydrophobicContact CG2-CD2 4.17Å
369R88.3Confident87.4Confident58 Ų5850.5 Ų50.522%0.21926%0.262CS..  trans-79-34.2-178-48.6-166176.6167.9-1.2114.1N321 N324 W325 W373N321-R369 WeakPolarHBondContact O-CD 3.16Å; N321-R369 PolarHBondContact O-NH1 3.19Å; N324-R369 PolarHBondContact ND2-O 2.98Å; W325-R369 HydrophobicContact CB-CB 3.79Å; W325-R369 HydrophobicContact CB-CG 3.7Å; W325-R369 HydrophobicContact CD2-CG 4.34Å; W325-R369 HydrophobicContact CG-CB 4.29Å; W325-R369 HydrophobicContact CG-CG 3.66Å; R369-W373 HydrophobicContact CB-CB 4.14Å; R369-W373 HydrophobicContact CB-CD2 3.83Å; R369-W373 HydrophobicContact CB-CE3 4.1Å; R369-W373 HydrophobicContact CB-CG 3.87Å; R369-W373 HydrophobicContact CG-CD2 3.73Å; R369-W373 HydrophobicContact CG-CE3 3.97Å; R369-W373 HydrophobicContact CG-CG 4.2Å; R369-W373 HydrophobicContact CG-CH2 4.22Å; R369-W373 HydrophobicContact CG-CZ2 4.03Å; R369-W373 HydrophobicContact CG-CZ3 4.2Å
370S88.3Confident87.4Confident2 Ų248.8 Ų48.81%0.01426%0.261CS..  trans-171.4163172610000109.8L320 V368 Q372 W373 L374L320-S370 VanDerWaalsContact O-CB 3.3Å; L320-S370 WeakPolarHBondContact O-CB 3.33Å; L320-S370 PolarHBondContact O-OG 3.32Å; V368-S370 WeakPolarHBondContact CG1-O 3.48Å; S370-Q372 VanDerWaalsContact C-N 3.27Å; S370-Q372 PolarHBondContact O-N 3.24Å; S370-W373 PolarHBondContact O-N 3.11Å; S370-W373 VanDerWaalsContact OG-CB 3.28Å; S370-W373 WeakPolarHBondContact OG-CB 3.45Å; S370-W373 PolarHBondContact OG-N 2.98Å; S370-L374 PolarHBondContact O-N 2.81Å
371P89.3Confident87.3Confident7 Ų744.1 Ų44.15%0.04524%0.237CC..Hα-helixtrans-53.6-40.3170.9-29.337.9000113.5W358 E359 A362 L374 R375W358-P371 HydrophobicContact CB-CB 3.79Å; E359-P371 HydrophobicContact CB-CG 4.46Å; E359-P371 HydrophobicContact CG-CB 4.29Å; E359-P371 HydrophobicContact CG-CG 4.03Å; E359-P371 WeakPolarHBondContact OE1-CB 3.26Å; A362-P371 HydrophobicContact CB-CG 4.1Å; P371-L374 WeakPolarHBondContact O-CB 3.5Å; P371-L374 PolarHBondContact O-N 3.49Å; P371-R375 PolarHBondContact O-N 2.89Å
372Q87.4Confident86.9Confident63 Ų6344.7 Ų44.729%0.29424%0.238SC..Hα-helixtrans-75.2-30.1-178.5-61.975.924.800112.4E359 S370 S376E359-Q372 PolarHBondContact OE1-NE2 3.14Å; S370-Q372 VanDerWaalsContact C-N 3.27Å; S370-Q372 PolarHBondContact O-N 3.24Å; Q372-S376 WeakPolarHBondContact O-CB 3.48Å; Q372-S376 PolarHBondContact O-N 3.13Å; Q372-S376 VanDerWaalsContact O-N 3.12Å; Q372-S376 PolarHBondContact O-OG 3.44Å
373W91.3Very high86.7Confident26 Ų2651 Ų5110%0.09826%0.259CS..Hα-helixtrans-68.3-41168.1-179.686.8000110.8W333 V368 R369 S370 S376 K377W333-W373 HydrophobicContact CB-CH2 3.94Å; W333-W373 AromaticContact CD2-CH2 3.55Å; W333-W373 HydrophobicContact CD2-CH2 3.55Å; W333-W373 AromaticContact CD2-CZ3 3.98Å; W333-W373 HydrophobicContact CD2-CZ3 3.98Å; W333-W373 AromaticContact CE3-CH2 3.5Å; W333-W373 HydrophobicContact CE3-CH2 3.5Å; W333-W373 VanDerWaalsContact CE3-CH2 3.5Å; W333-W373 AromaticContact CE3-CZ3 3.48Å; W333-W373 HydrophobicContact CE3-CZ3 3.48Å; W333-W373 VanDerWaalsContact CE3-CZ3 3.48Å; W333-W373 AromaticContact CG-CH2 3.77Å; W333-W373 HydrophobicContact CG-CH2 3.77Å; W333-W373 HydrophobicContact CH2-CZ3 4.48Å; W333-W373 HydrophobicContact CZ3-CH2 4.24Å; W333-W373 AromaticContact CZ3-CZ3 3.79Å; W333-W373 HydrophobicContact CZ3-CZ3 3.79Å; V368-W373 HydrophobicContact CG1-CE3 4.46Å; R369-W373 HydrophobicContact CB-CB 4.14Å; R369-W373 HydrophobicContact CB-CD2 3.83Å; R369-W373 HydrophobicContact CB-CE3 4.1Å; R369-W373 HydrophobicContact CB-CG 3.87Å; R369-W373 HydrophobicContact CG-CD2 3.73Å; R369-W373 HydrophobicContact CG-CE3 3.97Å; R369-W373 HydrophobicContact CG-CG 4.2Å; R369-W373 HydrophobicContact CG-CH2 4.22Å; R369-W373 HydrophobicContact CG-CZ2 4.03Å; R369-W373 HydrophobicContact CG-CZ3 4.2Å; S370-W373 PolarHBondContact O-N 3.11Å; S370-W373 VanDerWaalsContact OG-CB 3.28Å; S370-W373 WeakPolarHBondContact OG-CB 3.45Å; S370-W373 PolarHBondContact OG-N 2.98Å; W373-S376 CarbonylContact O-C 3.51Å; W373-S376 WeakPolarHBondContact O-CA 3.44Å; W373-S376 WeakPolarHBondContact O-CB 3.31Å; W373-S376 PolarHBondContact O-N 2.97Å; W373-S376 VanDerWaalsContact O-N 3.08Å; W373-K377 HydrophobicContact CD2-CG 4.23Å; W373-K377 HydrophobicContact CE3-CG 4.21Å; W373-K377 HydrophobicContact CH2-CG 3.82Å; W373-K377 HydrophobicContact CZ2-CD 4.44Å; W373-K377 HydrophobicContact CZ2-CG 3.81Å; W373-K377 HydrophobicContact CZ3-CG 4Å; W373-K377 PolarHBondContact O-N 3.33Å
374L90.7Very high86.2Confident0 Ų046.9 Ų46.90%025%0.249CC..Hα-helixtrans-61.9-45.1177.5-165.859.8000112W333 L341 W358 L361 A362 W365 V368 S370 P371 S376 K377 W378W333-L374 HydrophobicContact CH2-CD1 3.58Å; W333-L374 HydrophobicContact CZ3-CD1 3.9Å; L341-L374 HydrophobicContact CD1-CD1 3.7Å; L341-L374 HydrophobicContact CD1-CD2 4.18Å; L341-L374 HydrophobicContact CD1-CG 3.86Å; L341-L374 HydrophobicContact CD2-CD1 3.86Å; L341-L374 HydrophobicContact CG-CD1 4.37Å; W358-L374 HydrophobicContact CE3-CB 4.24Å; W358-L374 HydrophobicContact CE3-CD2 4.41Å; W358-L374 HydrophobicContact CE3-CG 4.14Å; W358-L374 HydrophobicContact CZ3-CG 4.31Å; L361-L374 HydrophobicContact CB-CD2 4.08Å; A362-L374 HydrophobicContact CB-CD2 4.1Å; W365-L374 HydrophobicContact CE3-CD2 4.48Å; W365-L374 HydrophobicContact CZ3-CD1 4.21Å; W365-L374 HydrophobicContact CZ3-CD2 4.34Å; V368-L374 HydrophobicContact CG1-CB 3.97Å; V368-L374 HydrophobicContact CG1-CD1 4.35Å; V368-L374 HydrophobicContact CG1-CD2 4.2Å; V368-L374 HydrophobicContact CG1-CG 4.41Å; V368-L374 HydrophobicContact CG2-CD1 3.91Å; V368-L374 HydrophobicContact CG2-CD2 4.17Å; S370-L374 PolarHBondContact O-N 2.81Å; P371-L374 WeakPolarHBondContact O-CB 3.5Å; P371-L374 PolarHBondContact O-N 3.49Å; L374-S376 VanDerWaalsContact C-N 3.29Å; L374-S376 PolarHBondContact O-N 3.09Å; L374-K377 WeakPolarHBondContact O-CB 3.32Å; L374-K377 PolarHBondContact O-N 3.27Å; L374-K377 VanDerWaalsContact O-N 3.17Å; L374-W378 PolarHBondContact O-N 3.4Å
375R89.3Confident85.7Confident69 Ų6944.5 Ų44.526%0.2622%0.219SC..Hα-helixtrans-57.2-42.2170.8-173.3172.2-177.3141.35.6111.9N354 W358 P371 K377 W379N354-R375 PolarHBondContact OD1-NH2 3.43Å; W358-R375 HydrophobicContact CD2-CB 3.6Å; W358-R375 HydrophobicContact CD2-CG 4.05Å; W358-R375 HydrophobicContact CE3-CB 3.85Å; W358-R375 HydrophobicContact CG-CB 4.04Å; W358-R375 HydrophobicContact CH2-CB 4.43Å; W358-R375 HydrophobicContact CH2-CG 4.42Å; W358-R375 HydrophobicContact CZ2-CB 4.19Å; W358-R375 HydrophobicContact CZ2-CG 3.86Å; W358-R375 HydrophobicContact CZ3-CB 4.26Å; P371-R375 PolarHBondContact O-N 2.89Å; R375-K377 VanDerWaalsContact C-N 3.34Å; R375-W379 PolarHBondContact O-N 3.06Å
376S88.4Confident84.5Confident70 Ų7047 Ų4749%0.4924%0.244SC..Hα-helixtrans-67-35.1178.1-57.90000112.4Q372 W373 L374 W379 S380Q372-S376 WeakPolarHBondContact O-CB 3.48Å; Q372-S376 PolarHBondContact O-N 3.13Å; Q372-S376 VanDerWaalsContact O-N 3.12Å; Q372-S376 PolarHBondContact O-OG 3.44Å; W373-S376 CarbonylContact O-C 3.51Å; W373-S376 WeakPolarHBondContact O-CA 3.44Å; W373-S376 WeakPolarHBondContact O-CB 3.31Å; W373-S376 PolarHBondContact O-N 2.97Å; W373-S376 VanDerWaalsContact O-N 3.08Å; L374-S376 VanDerWaalsContact C-N 3.29Å; L374-S376 PolarHBondContact O-N 3.09Å; S376-W379 PolarHBondContact O-N 3.39Å; S376-S380 PolarHBondContact O-N 2.92Å; S376-S380 VanDerWaalsContact O-N 3.1Å
377K89.4Confident83.6Confident49 Ų4948.4 Ų48.421%0.21325%0.245CC..Hα-helixtrans-65.9-49.5174-98.9-66.7-149.2151.30111.8D338 L341 W373 L374 R375 W379 S380 I381D338-K377 IonicContact OD1-NZ 3.42Å; D338-K377 PolarHBondContact OD1-NZ 3.19Å; D338-K377 IonicContact OD2-NZ 3.59Å; L341-K377 HydrophobicContact CD2-CB 4.31Å; W373-K377 HydrophobicContact CD2-CG 4.23Å; W373-K377 HydrophobicContact CE3-CG 4.21Å; W373-K377 HydrophobicContact CH2-CG 3.82Å; W373-K377 HydrophobicContact CZ2-CD 4.44Å; W373-K377 HydrophobicContact CZ2-CG 3.81Å; W373-K377 HydrophobicContact CZ3-CG 4Å; W373-K377 PolarHBondContact O-N 3.33Å; L374-K377 WeakPolarHBondContact O-CB 3.32Å; L374-K377 PolarHBondContact O-N 3.27Å; L374-K377 VanDerWaalsContact O-N 3.17Å; R375-K377 VanDerWaalsContact C-N 3.34Å; K377-W379 VanDerWaalsContact C-N 3.31Å; K377-W379 PolarHBondContact O-N 3.16Å; K377-S380 WeakPolarHBondContact O-CA 3.45Å; K377-S380 VanDerWaalsContact O-CB 3.27Å; K377-S380 WeakPolarHBondContact O-CB 3.42Å; K377-S380 PolarHBondContact O-N 2.96Å; K377-I381 WeakPolarHBondContact O-CG1 3.38Å; K377-I381 PolarHBondContact O-N 3.12Å
378W87.4Confident82.6Confident1 Ų150.1 Ų50.10%0.00425%0.252CS..Hα-helixtrans-52.2-48.9171161.1-112.4000111.6L341 L342 I345 E353 W358 L374 S380 I381 K382 F393 V396 L399L341-W378 HydrophobicContact CD2-CB 4.18Å; L342-W378 HydrophobicContact CD2-CE3 4.12Å; L342-W378 HydrophobicContact CD2-CZ3 3.64Å; I345-W378 HydrophobicContact CD1-CB 4.11Å; I345-W378 HydrophobicContact CD1-CD2 3.7Å; I345-W378 HydrophobicContact CD1-CE3 3.64Å; I345-W378 HydrophobicContact CD1-CG 3.91Å; I345-W378 HydrophobicContact CD1-CZ3 4.36Å; E353-W378 PolarHBondContact OE1-NE1 2.97Å; E353-W378 PolarHBondContact OE2-NE1 3.19Å; W358-W378 HydrophobicContact CH2-CB 3.61Å; W358-W378 AromaticContact CH2-CD1 3.49Å; W358-W378 VanDerWaalsContact CH2-CD1 3.49Å; W358-W378 AromaticContact CH2-CG 3.63Å; W358-W378 HydrophobicContact CH2-CG 3.63Å; W358-W378 AromaticContact CZ2-CD1 3.92Å; W358-W378 HydrophobicContact CZ2-CG 4.48Å; W358-W378 HydrophobicContact CZ3-CB 3.93Å; W358-W378 HydrophobicContact CZ3-CG 4.42Å; L374-W378 PolarHBondContact O-N 3.4Å; W378-S380 PolarHBondContact O-N 3.32Å; W378-S380 VanDerWaalsContact O-N 3.13Å; W378-I381 PolarHBondContact O-N 3.45Å; W378-I381 VanDerWaalsContact O-N 3.17Å; W378-K382 HydrophobicContact CD2-CB 4.46Å; W378-K382 HydrophobicContact CH2-CB 4.28Å; W378-K382 HydrophobicContact CH2-CD 4.35Å; W378-K382 HydrophobicContact CH2-CG 4.21Å; W378-K382 HydrophobicContact CZ2-CB 4.18Å; W378-K382 HydrophobicContact CZ2-CD 3.67Å; W378-K382 HydrophobicContact CZ2-CG 4.01Å; W378-K382 HydrophobicContact CZ3-CB 4.47Å; W378-K382 WeakPolarHBondContact O-CB 3.13Å; W378-K382 PolarHBondContact O-N 2.91Å; W378-F393 HydrophobicContact CZ2-CE2 4.44Å; W378-V396 HydrophobicContact CH2-CG2 3.92Å; W378-V396 HydrophobicContact CZ2-CG2 4.37Å; W378-L399 HydrophobicContact CH2-CD1 4.13Å
379W85.1Confident81.4Confident67 Ų6757.9 Ų57.925%0.25428%0.284SS..Hα-helixtrans-66.6-10.6175.8-89.489.3000115.1M149 E353 R375 S376 K377 R383M149-W379 HydrophobicContact CE-CZ2 4.14Å; M149-W379 HydrophobicContact SD-CZ2 4.49Å; E353-W379 VanDerWaalsContact OE1-CE2 3.22Å; E353-W379 WeakPolarHBondContact OE1-CZ2 3.45Å; E353-W379 PolarHBondContact OE1-NE1 2.95Å; R375-W379 PolarHBondContact O-N 3.06Å; S376-W379 PolarHBondContact O-N 3.39Å; K377-W379 VanDerWaalsContact C-N 3.31Å; K377-W379 PolarHBondContact O-N 3.16Å; W379-R383 PolarHBondContact O-NE 3.44Å; W379-R383 PolarHBondContact O-NH2 2.96Å; W379-R383 VanDerWaalsContact O-NH2 3.12Å
380S86.3Confident80Confident63 Ų6362.1 Ų62.144%0.44131%0.306SS..Hα-helixtrans-88-44.5170.3-164.60000110.9S376 K377 W378 R383S376-S380 PolarHBondContact O-N 2.92Å; S376-S380 VanDerWaalsContact O-N 3.1Å; K377-S380 WeakPolarHBondContact O-CA 3.45Å; K377-S380 VanDerWaalsContact O-CB 3.27Å; K377-S380 WeakPolarHBondContact O-CB 3.42Å; K377-S380 PolarHBondContact O-N 2.96Å; W378-S380 PolarHBondContact O-N 3.32Å; W378-S380 VanDerWaalsContact O-N 3.13Å; S380-R383 PolarHBondContact O-N 3.37Å
381I83.9Confident78.7Confident4 Ų464.1 Ų64.12%0.02132%0.316CS..Hα-helixtrans-65.7-48.9177.8-59.8160.7000110.2D338 L341 L342 K377 W378 R383 Q384 L403D338-I381 HydrophobicContact CB-CD1 3.99Å; D338-I381 WeakPolarHBondContact OD1-CD1 3.29Å; L341-I381 HydrophobicContact CD2-CD1 3.95Å; L342-I381 HydrophobicContact CD2-CG2 4.05Å; K377-I381 WeakPolarHBondContact O-CG1 3.38Å; K377-I381 PolarHBondContact O-N 3.12Å; W378-I381 PolarHBondContact O-N 3.45Å; W378-I381 VanDerWaalsContact O-N 3.17Å; I381-R383 PolarHBondContact O-N 3.32Å; I381-R383 VanDerWaalsContact O-N 3.09Å; I381-Q384 WeakPolarHBondContact O-CB 3.39Å; I381-Q384 PolarHBondContact O-N 3.01Å; I381-L403 HydrophobicContact CG2-CD1 3.59Å; I381-L403 HydrophobicContact CG2-CD2 4.22Å
382K80.9Confident77.5Confident22 Ų2267.3 Ų67.310%0.09634%0.338CS..G310 helixtrans-52.5-36176.5-168-175.5-172.3-179.90111.9E353 W378 Q384 V385 H388E353-K382 IonicContact OE2-NZ 2.71Å; E353-K382 PolarHBondContact OE2-NZ 3.01Å; W378-K382 HydrophobicContact CD2-CB 4.46Å; W378-K382 HydrophobicContact CH2-CB 4.28Å; W378-K382 HydrophobicContact CH2-CD 4.35Å; W378-K382 HydrophobicContact CH2-CG 4.21Å; W378-K382 HydrophobicContact CZ2-CB 4.18Å; W378-K382 HydrophobicContact CZ2-CD 3.67Å; W378-K382 HydrophobicContact CZ2-CG 4.01Å; W378-K382 HydrophobicContact CZ3-CB 4.47Å; W378-K382 WeakPolarHBondContact O-CB 3.13Å; W378-K382 PolarHBondContact O-N 2.91Å; K382-Q384 VanDerWaalsContact C-N 3.35Å; K382-Q384 PolarHBondContact O-N 3.44Å; K382-V385 PolarHBondContact O-N 3.41Å; K382-H388 HydrophobicContact CG-CB 4.28Å; K382-H388 WeakPolarHBondContact O-CB 3.21Å
383R82.3Confident76.4Confident151 Ų15165.9 Ų65.957%0.5733%0.33SS*.G310 helixtrans-75.3-14.5179.4-99.7-177.4-74.2-173.4-5.4115.3W379 S380 I381 V385W379-R383 PolarHBondContact O-NE 3.44Å; W379-R383 PolarHBondContact O-NH2 2.96Å; W379-R383 VanDerWaalsContact O-NH2 3.12Å; S380-R383 PolarHBondContact O-N 3.37Å; I381-R383 PolarHBondContact O-N 3.32Å; I381-R383 VanDerWaalsContact O-N 3.09Å; R383-V385 VanDerWaalsContact C-N 3.32Å
384Q75.5Confident75Confident127 Ų12769.5 Ų69.559%0.59336%0.359SS*.G310 helixtrans-77-20.9175.4-68.1169.6-25.100112.3I381 K382I381-Q384 WeakPolarHBondContact O-CB 3.39Å; I381-Q384 PolarHBondContact O-N 3.01Å; K382-Q384 VanDerWaalsContact C-N 3.35Å; K382-Q384 PolarHBondContact O-N 3.44Å
385V71.9Confident73.6Confident27 Ų2770.4 Ų70.416%0.16437%0.367CS..SBendtrans-85.4139.6177.3-166.20000110.2K382 R383 H388 I391 L399 L403K382-V385 PolarHBondContact O-N 3.41Å; R383-V385 VanDerWaalsContact C-N 3.32Å; V385-H388 PolarHBondContact O-ND1 2.9Å; V385-H388 VanDerWaalsContact O-ND1 3.07Å; V385-I391 HydrophobicContact CG1-CD1 4.4Å; V385-L399 HydrophobicContact CB-CD2 3.91Å; V385-L399 HydrophobicContact CG1-CD2 3.69Å; V385-L399 HydrophobicContact CG2-CD2 4.02Å; V385-L403 HydrophobicContact CG2-CD1 3.88Å; V385-L403 HydrophobicContact CG2-CD2 3.81Å; V385-L403 HydrophobicContact CG2-CG 3.74Å
386A60.7Low72.4Confident75 Ų7567.3 Ų67.362%0.6236%0.356SS*.THydrogen-bonded Turntrans-58.6150.5171.400000110.9H388 I391A386-H388 PolarHBondContact O-N 2.7Å; A386-I391 VanDerWaalsContact O-CD1 3.32Å; A386-I391 WeakPolarHBondContact O-CD1 3.27Å
387N64.3Low71.3Confident107 Ų10767.4 Ų67.457%0.57236%0.355SS*.THydrogen-bonded Turntrans53.822.7176.6-56.49.5000115.7K389 E390 I391N387-K389 PolarHBondContact O-N 2.87Å; N387-E390 PolarHBondContact O-N 2.93Å; N387-I391 WeakPolarHBondContact O-CG1 3.49Å; N387-I391 PolarHBondContact O-N 3.16Å
388H65.4Low70Confident45 Ų4570.1 Ų70.121%0.20838%0.375CS..THydrogen-bonded Turntrans-57.8-5-179.465.2-102.1000117.1K382 V385 A386K382-H388 HydrophobicContact CG-CB 4.28Å; K382-H388 WeakPolarHBondContact O-CB 3.21Å; V385-H388 PolarHBondContact O-ND1 2.9Å; V385-H388 VanDerWaalsContact O-ND1 3.07Å; A386-H388 PolarHBondContact O-N 2.7Å
389K62.9Low68.9Low183 Ų18370.3 Ų70.380%0.79638%0.376SS*.THydrogen-bonded Turntrans-90-21.5172.8-61.7179.4-177.4172.30113.1N387N387-K389 PolarHBondContact O-N 2.87Å
390E59.4Low68Low146 Ų14668 Ų6868%0.68237%0.369SS*.THydrogen-bonded Turntrans-109.1-23.2-172.8-64.5165.8179.300111.4N387 P392N387-E390 PolarHBondContact O-N 2.93Å; E390-P392 WeakPolarHBondContact O-CD 3.32Å
391I61.7Low67Low44 Ų4471.4 Ų71.423%0.22638%0.376CS..SBendtrans-70.5115.4175.4-62.3170.7000109.2V385 A386 N387 A395 L399V385-I391 HydrophobicContact CG1-CD1 4.4Å; A386-I391 VanDerWaalsContact O-CD1 3.32Å; A386-I391 WeakPolarHBondContact O-CD1 3.27Å; N387-I391 WeakPolarHBondContact O-CG1 3.49Å; N387-I391 PolarHBondContact O-N 3.16Å; I391-A395 HydrophobicContact CG2-CB 3.59Å; I391-L399 HydrophobicContact CD1-CD2 3.65Å; I391-L399 HydrophobicContact CG2-CD1 4.22Å; I391-L399 HydrophobicContact CG2-CD2 3.95Å; I391-L399 HydrophobicContact CG2-CG 3.99Å
392P63.7Low66.2Low75 Ų7572.3 Ų72.349%0.48739%0.386SS..  trans-70.3161.4-179.130.5-36.2000111.4E390 S394 A395E390-P392 WeakPolarHBondContact O-CD 3.32Å; P392-S394 PolarHBondContact O-N 3.2Å; P392-A395 HydrophobicContact CG-CB 4.15Å; P392-A395 WeakPolarHBondContact O-CB 3.5Å; P392-A395 PolarHBondContact O-N 3Å
393F64.9Low65.4Low33 Ų3371.5 Ų71.515%0.14538%0.383CS..G310 helixtrans-62.4-29.7-178.7-171-105.4000113I345 V350 E353 I356 W378 A395 V396I345-F393 HydrophobicContact CG2-CE2 3.93Å; I345-F393 HydrophobicContact CG2-CZ 3.73Å; V350-F393 WeakPolarHBondContact O-CD1 3.28Å; V350-F393 VanDerWaalsContact O-CE1 3.23Å; V350-F393 WeakPolarHBondContact O-CE1 3.47Å; E353-F393 HydrophobicContact CB-CD2 3.84Å; E353-F393 HydrophobicContact CB-CE2 4.19Å; E353-F393 HydrophobicContact CB-CG 4.39Å; E353-F393 HydrophobicContact CG-CD2 3.89Å; E353-F393 HydrophobicContact CG-CE2 3.87Å; I356-F393 HydrophobicContact CD1-CE2 3.73Å; I356-F393 HydrophobicContact CD1-CZ 3.63Å; I356-F393 HydrophobicContact CG1-CZ 4.17Å; W378-F393 HydrophobicContact CZ2-CE2 4.44Å; F393-A395 PolarHBondContact O-N 3.26Å; F393-A395 VanDerWaalsContact O-N 3.14Å; F393-V396 HydrophobicContact CD2-CG2 3.78Å; F393-V396 HydrophobicContact CE2-CG2 3.72Å; F393-V396 HydrophobicContact CG-CG2 4.41Å; F393-V396 HydrophobicContact CZ-CG2 4.31Å; F393-V396 WeakPolarHBondContact O-CB 3.25Å; F393-V396 WeakPolarHBondContact O-CG2 3.21Å; F393-V396 PolarHBondContact O-N 3.22Å; F393-V396 VanDerWaalsContact O-N 3.1Å
394S61.2Low64.7Low101 Ų10167.4 Ų67.471%0.70637%0.37SS*.G310 helixtrans-60.1-19.7171.452.90000114.4P392 P397P392-S394 PolarHBondContact O-N 3.2Å; S394-P397 WeakPolarHBondContact O-CD 3.39Å
395A60.7Low64.3Low20 Ų2066.4 Ų66.417%0.16537%0.366CS..G310 helixtrans-94.213.4177.100000113.7I391 P392 F393 P397 V398 L399I391-A395 HydrophobicContact CG2-CB 3.59Å; P392-A395 HydrophobicContact CG-CB 4.15Å; P392-A395 WeakPolarHBondContact O-CB 3.5Å; P392-A395 PolarHBondContact O-N 3Å; F393-A395 PolarHBondContact O-N 3.26Å; F393-A395 VanDerWaalsContact O-N 3.14Å; A395-P397 VanDerWaalsContact C-CD 3.41Å; A395-P397 VanDerWaalsContact C-N 3.27Å; A395-V398 HydrophobicContact CB-CB 4.42Å; A395-V398 HydrophobicContact CB-CG2 4.31Å; A395-V398 WeakPolarHBondContact O-CA 3.15Å; A395-V398 WeakPolarHBondContact O-CB 3.21Å; A395-V398 PolarHBondContact O-N 3.16Å; A395-L399 PolarHBondContact O-N 3.24Å
396V64.8Low64Low4 Ų469.8 Ų69.82%0.02438%0.382CS..Hα-helixtrans-50.7-37.5167.2165.50000113.5I345 W378 F393 V398 L399 L400I345-V396 HydrophobicContact CG2-CG1 4.29Å; W378-V396 HydrophobicContact CH2-CG2 3.92Å; W378-V396 HydrophobicContact CZ2-CG2 4.37Å; F393-V396 HydrophobicContact CD2-CG2 3.78Å; F393-V396 HydrophobicContact CE2-CG2 3.72Å; F393-V396 HydrophobicContact CG-CG2 4.41Å; F393-V396 HydrophobicContact CZ-CG2 4.31Å; F393-V396 WeakPolarHBondContact O-CB 3.25Å; F393-V396 WeakPolarHBondContact O-CG2 3.21Å; F393-V396 PolarHBondContact O-N 3.22Å; F393-V396 VanDerWaalsContact O-N 3.1Å; V396-V398 VanDerWaalsContact C-N 3.26Å; V396-V398 PolarHBondContact O-N 3.43Å; V396-L399 HydrophobicContact CG2-CD1 4.36Å; V396-L399 WeakPolarHBondContact O-CB 3.29Å; V396-L399 PolarHBondContact O-N 2.82Å; V396-L400 WeakPolarHBondContact O-CB 3.47Å; V396-L400 PolarHBondContact O-N 2.94Å
397P64.1Low64Low71 Ų7167.3 Ų67.346%0.46136%0.358SS..Hα-helixtrans-62.1-28171.5-25.936.8000114.6S394 A395 L400 K401S394-P397 WeakPolarHBondContact O-CD 3.39Å; A395-P397 VanDerWaalsContact C-CD 3.41Å; A395-P397 VanDerWaalsContact C-N 3.27Å; P397-L400 WeakPolarHBondContact O-CB 3.1Å; P397-K401 PolarHBondContact O-N 2.93Å
398V63.7Low63.9Low106 Ų10666 Ų6664%0.64235%0.354SS*.Hα-helixtrans-79.8-39.7175.8-1720000110.5A395 V396 L400 K401 G402A395-V398 HydrophobicContact CB-CB 4.42Å; A395-V398 HydrophobicContact CB-CG2 4.31Å; A395-V398 WeakPolarHBondContact O-CA 3.15Å; A395-V398 WeakPolarHBondContact O-CB 3.21Å; A395-V398 PolarHBondContact O-N 3.16Å; V396-V398 VanDerWaalsContact C-N 3.26Å; V396-V398 PolarHBondContact O-N 3.43Å; V398-L400 VanDerWaalsContact C-N 3.3Å; V398-L400 PolarHBondContact O-N 3.47Å; V398-K401 PolarHBondContact O-N 2.82Å; V398-G402 PolarHBondContact O-N 3.38Å
399L64.4Low63.7Low6 Ų667.2 Ų67.23%0.03137%0.367CS..Hα-helixtrans-58.4-42.9169.4-64.3176.6000111.2W378 V385 I391 A395 V396 G402 L403W378-L399 HydrophobicContact CH2-CD1 4.13Å; V385-L399 HydrophobicContact CB-CD2 3.91Å; V385-L399 HydrophobicContact CG1-CD2 3.69Å; V385-L399 HydrophobicContact CG2-CD2 4.02Å; I391-L399 HydrophobicContact CD1-CD2 3.65Å; I391-L399 HydrophobicContact CG2-CD1 4.22Å; I391-L399 HydrophobicContact CG2-CD2 3.95Å; I391-L399 HydrophobicContact CG2-CG 3.99Å; A395-L399 PolarHBondContact O-N 3.24Å; V396-L399 HydrophobicContact CG2-CD1 4.36Å; V396-L399 WeakPolarHBondContact O-CB 3.29Å; V396-L399 PolarHBondContact O-N 2.82Å; L399-G402 PolarHBondContact O-N 2.93Å; L399-L403 VanDerWaalsContact O-CB 3.29Å; L399-L403 WeakPolarHBondContact O-CB 3.3Å; L399-L403 WeakPolarHBondContact O-CD1 3.41Å; L399-L403 VanDerWaalsContact O-CG 3.28Å; L399-L403 WeakPolarHBondContact O-CG 3.45Å; L399-L403 PolarHBondContact O-N 3.44Å
400L65.1Low63.3Low19 Ų1961.8 Ų61.810%0.09935%0.353CS..Hα-helixtrans-52.3-55.4173.5-104.9163.6000111.3L342 R343 V396 P397 V398 G402 L403 E404L342-L400 HydrophobicContact CB-CD2 3.42Å; L342-L400 VanDerWaalsContact CB-CD2 3.42Å; L342-L400 HydrophobicContact CB-CG 3.8Å; L342-L400 HydrophobicContact CD1-CD2 4.16Å; L342-L400 HydrophobicContact CG-CD2 4.41Å; R343-L400 HydrophobicContact CG-CD2 4.21Å; V396-L400 WeakPolarHBondContact O-CB 3.47Å; V396-L400 PolarHBondContact O-N 2.94Å; P397-L400 WeakPolarHBondContact O-CB 3.1Å; V398-L400 VanDerWaalsContact C-N 3.3Å; V398-L400 PolarHBondContact O-N 3.47Å; L400-G402 PolarHBondContact O-N 3.49Å; L400-L403 PolarHBondContact O-N 3.24Å; L400-E404 PolarHBondContact O-N 3.28Å
401K66.4Low62.7Low133 Ų13359.5 Ų59.558%0.57834%0.342SS*.Hα-helixtrans-60.4-47.8-178.6-177172173.2178.10112.2P397 V398 L403 E404 E405P397-K401 PolarHBondContact O-N 2.93Å; V398-K401 PolarHBondContact O-N 2.82Å; K401-L403 VanDerWaalsContact C-N 3.3Å; K401-L403 PolarHBondContact O-N 3.46Å; K401-E404 PolarHBondContact O-N 3.15Å; K401-E405 WeakPolarHBondContact CE-OE1 3.42Å; K401-E405 WeakPolarHBondContact CG-OE1 3.38Å; K401-E405 IonicContact NZ-OE1 3.8Å; K401-E405 WeakPolarHBondContact O-CB 3.49Å; K401-E405 VanDerWaalsContact O-CG 3.32Å; K401-E405 WeakPolarHBondContact O-CG 3.26Å; K401-E405 PolarHBondContact O-N 2.98Å
402G66.1Low61.7Low24 Ų2463.1 Ų63.125%0.24737%0.366CS..Hα-helixtrans-63.8-33.3177.600000113.5V398 L399 L400 L406V398-G402 PolarHBondContact O-N 3.38Å; L399-G402 PolarHBondContact O-N 2.93Å; L400-G402 PolarHBondContact O-N 3.49Å; G402-L406 WeakPolarHBondContact O-CB 3.43Å; G402-L406 VanDerWaalsContact O-CG 3.26Å; G402-L406 WeakPolarHBondContact O-CG 3.42Å; G402-L406 PolarHBondContact O-N 3.42Å
403L64.7Low60.7Low4 Ų463.9 Ų63.92%0.02138%0.379CS..Hα-helixtrans-75.7-38.2175.3-74.6163.7000112.3L342 I381 V385 L399 L400 K401 E405 L406 M407L342-L403 HydrophobicContact CD1-CB 3.93Å; L342-L403 HydrophobicContact CD1-CD1 3.66Å; L342-L403 HydrophobicContact CD1-CG 4.42Å; L342-L403 HydrophobicContact CD2-CD1 3.95Å; L342-L403 HydrophobicContact CG-CD1 4.46Å; I381-L403 HydrophobicContact CG2-CD1 3.59Å; I381-L403 HydrophobicContact CG2-CD2 4.22Å; V385-L403 HydrophobicContact CG2-CD1 3.88Å; V385-L403 HydrophobicContact CG2-CD2 3.81Å; V385-L403 HydrophobicContact CG2-CG 3.74Å; L399-L403 VanDerWaalsContact O-CB 3.29Å; L399-L403 WeakPolarHBondContact O-CB 3.3Å; L399-L403 WeakPolarHBondContact O-CD1 3.41Å; L399-L403 VanDerWaalsContact O-CG 3.28Å; L399-L403 WeakPolarHBondContact O-CG 3.45Å; L399-L403 PolarHBondContact O-N 3.44Å; L400-L403 PolarHBondContact O-N 3.24Å; K401-L403 VanDerWaalsContact C-N 3.3Å; K401-L403 PolarHBondContact O-N 3.46Å; L403-E405 VanDerWaalsContact C-N 3.35Å; L403-L406 PolarHBondContact O-N 3.05Å; L403-M407 WeakPolarHBondContact O-CB 3.42Å; L403-M407 VanDerWaalsContact O-CG 3.25Å; L403-M407 WeakPolarHBondContact O-CG 3.27Å; L403-M407 PolarHBondContact O-N 2.89Å
404E66.2Low59.2Low65 Ų6566.3 Ų66.330%0.30440%0.4SS..Hα-helixtrans-64.7-38.6172.3-75.7-175.7150.500111.1L339 R343 L400 K401 M407 T408L339-E404 HydrophobicContact CD2-CG 3.67Å; R343-E404 IonicContact CZ-OE1 2.96Å; R343-E404 IonicContact NE-OE1 3.31Å; R343-E404 PolarHBondContact NE-OE1 3.03Å; R343-E404 IonicContact NH2-OE1 2.82Å; R343-E404 PolarHBondContact NH2-OE1 3.32Å; L400-E404 PolarHBondContact O-N 3.28Å; K401-E404 PolarHBondContact O-N 3.15Å; E404-M407 PolarHBondContact O-N 2.88Å; E404-T408 WeakPolarHBondContact O-CB 3.33Å; E404-T408 VanDerWaalsContact O-CG2 3.28Å; E404-T408 WeakPolarHBondContact O-CG2 3.44Å; E404-T408 PolarHBondContact O-N 3.33Å; E404-T408 PolarHBondContact O-OG1 3.37Å
405E69.1Low57.8Low107 Ų10769 Ų6950%0.541%0.406SS..Hα-helixtrans-64.1-42.1172.9-73.4168.6179.100112.5K401 L403 T408 S409K401-E405 WeakPolarHBondContact CE-OE1 3.42Å; K401-E405 WeakPolarHBondContact CG-OE1 3.38Å; K401-E405 IonicContact NZ-OE1 3.8Å; K401-E405 WeakPolarHBondContact O-CB 3.49Å; K401-E405 VanDerWaalsContact O-CG 3.32Å; K401-E405 WeakPolarHBondContact O-CG 3.26Å; K401-E405 PolarHBondContact O-N 2.98Å; L403-E405 VanDerWaalsContact C-N 3.35Å; E405-T408 PolarHBondContact O-OG1 3.39Å; E405-S409 WeakPolarHBondContact O-CB 3.09Å; E405-S409 PolarHBondContact O-N 2.82Å; E405-S409 PolarHBondContact O-OG 3.3Å
406L63.7Low56.7Low98 Ų9874.6 Ų74.651%0.51344%0.44SS..Hα-helixtrans-68.7-34.9174-73.9168.4000113.2G402 L403 S409 S410G402-L406 WeakPolarHBondContact O-CB 3.43Å; G402-L406 VanDerWaalsContact O-CG 3.26Å; G402-L406 WeakPolarHBondContact O-CG 3.42Å; G402-L406 PolarHBondContact O-N 3.42Å; L403-L406 PolarHBondContact O-N 3.05Å; L406-S409 PolarHBondContact O-OG 2.94Å; L406-S409 VanDerWaalsContact O-OG 3.13Å; L406-S410 WeakPolarHBondContact O-CB 3.37Å; L406-S410 PolarHBondContact O-N 2.7Å; L406-S410 PolarHBondContact O-OG 3.01Å
407M62.6Low55.1Low23 Ų2377.4 Ų77.411%0.11347%0.47CS..Hα-helixtrans-82-28.8-179.5-70.7-168.1-158.400113.4D338 L339 L403 E404 Q411D338-M407 HydrophobicContact CB-CE 4.13Å; L339-M407 HydrophobicContact CD2-CE 4.25Å; L339-M407 HydrophobicContact CD2-SD 3.57Å; L339-M407 VanDerWaalsContact CD2-SD 3.57Å; L339-M407 HydrophobicContact CG-SD 3.86Å; L403-M407 WeakPolarHBondContact O-CB 3.42Å; L403-M407 VanDerWaalsContact O-CG 3.25Å; L403-M407 WeakPolarHBondContact O-CG 3.27Å; L403-M407 PolarHBondContact O-N 2.89Å; E404-M407 PolarHBondContact O-N 2.88Å; M407-Q411 WeakPolarHBondContact O-CG 3.43Å; M407-Q411 PolarHBondContact O-N 2.75Å; M407-Q411 PolarHBondContact O-NE2 3.29Å; M407-Q411 VanDerWaalsContact O-NE2 3.16Å
408T62.1Low53.3Low79 Ų7979.8 Ų79.849%0.48549%0.488SS..Hα-helixtrans-76-45175.147.80000111.8E404 E405 S410 Q411 T412E404-T408 WeakPolarHBondContact O-CB 3.33Å; E404-T408 VanDerWaalsContact O-CG2 3.28Å; E404-T408 WeakPolarHBondContact O-CG2 3.44Å; E404-T408 PolarHBondContact O-N 3.33Å; E404-T408 PolarHBondContact O-OG1 3.37Å; E405-T408 PolarHBondContact O-OG1 3.39Å; T408-S410 PolarHBondContact O-N 3.29Å; T408-Q411 PolarHBondContact O-N 3.23Å; T408-T412 PolarHBondContact O-N 3.11Å; T408-T412 PolarHBondContact O-OG1 2.92Å
409S60.2Low52.1Low70 Ų7081 Ų8149%0.4950%0.498SS..Hα-helixtrans-58.6-30.717153.20000112.8E405 L406 Q411 T412E405-S409 WeakPolarHBondContact O-CB 3.09Å; E405-S409 PolarHBondContact O-N 2.82Å; E405-S409 PolarHBondContact O-OG 3.3Å; L406-S409 PolarHBondContact O-OG 2.94Å; L406-S409 VanDerWaalsContact O-OG 3.13Å; S409-Q411 VanDerWaalsContact C-N 3.32Å; S409-Q411 PolarHBondContact O-N 3.11Å; S409-T412 PolarHBondContact O-OG1 3.4Å; S409-T412 VanDerWaalsContact O-OG1 3.13Å
410S54.1Low50.3Low69 Ų6986.1 Ų86.148%0.48354%0.535SS..THydrogen-bonded Turntrans-75-11.6171.7-63.10000115L406 T408L406-S410 WeakPolarHBondContact O-CB 3.37Å; L406-S410 PolarHBondContact O-N 2.7Å; L406-S410 PolarHBondContact O-OG 3.01Å; T408-S410 PolarHBondContact O-N 3.29Å
411Q47.2Very low48.6Very low98 Ų9890.6 Ų90.646%0.45857%0.567SS.*THydrogen-bonded Turntrans-106.1-27.7-178.8-79.5178.171.500113.2M407 T408 S409 A413 S414M407-Q411 WeakPolarHBondContact O-CG 3.43Å; M407-Q411 PolarHBondContact O-N 2.75Å; M407-Q411 PolarHBondContact O-NE2 3.29Å; M407-Q411 VanDerWaalsContact O-NE2 3.16Å; T408-Q411 PolarHBondContact O-N 3.23Å; S409-Q411 VanDerWaalsContact C-N 3.32Å; S409-Q411 PolarHBondContact O-N 3.11Å; Q411-A413 PolarHBondContact O-N 3.44Å; Q411-A413 VanDerWaalsContact O-N 3.09Å; Q411-S414 PolarHBondContact O-N 3.15Å; Q411-S414 PolarHBondContact O-OG 2.89Å
412T41.7Very low46.9Very low121 Ų12190.6 Ų90.674%0.74258%0.584SS**THydrogen-bonded Turntrans-62.9-12.317344.30000113.8T408 S409T408-T412 PolarHBondContact O-N 3.11Å; T408-T412 PolarHBondContact O-OG1 2.92Å; S409-T412 PolarHBondContact O-OG1 3.4Å; S409-T412 VanDerWaalsContact O-OG1 3.13Å
413A41.6Very low45.1Very low91 Ų9193.2 Ų93.275%0.75260%0.599SS**THydrogen-bonded Turntrans-83.4-4173.200000114.3Q411Q411-A413 PolarHBondContact O-N 3.44Å; Q411-A413 VanDerWaalsContact O-N 3.09Å
414S34Very low43.2Very low84 Ų84101.4 Ų101.459%0.58764%0.642SS**  trans-125.382.2-171.847.10000113.5Q411Q411-S414 PolarHBondContact O-N 3.15Å; Q411-S414 PolarHBondContact O-OG 2.89Å
415L32.5Very low41.1Very low158 Ų158105.9 Ų105.983%0.82766%0.663SS**  trans-115.2144.3160.2-86164.6000109.3G417L415-G417 PolarHBondContact O-N 2.87Å; L415-G417 VanDerWaalsContact O-N 3.14Å
416P36.7Very low39Very low136 Ų136108 Ų10888%0.88368%0.676SS**SBendtrans-81.598-167.131.3-34.8000112.8
417G30.8Very low37.1Very low63 Ų63114.3 Ų114.365%0.64969%0.693SS**SBendtrans-169.7108.3172.700000113.9L415L415-G417 PolarHBondContact O-N 2.87Å; L415-G417 VanDerWaalsContact O-N 3.14Å
418S26.5Very low35.3Very low121 Ų121121 Ų12185%0.84673%0.728SS**SBendtrans73.2150.6179.6-55.50000116.3
419P37.7Very low33.5Very low132 Ų132121.7 Ų121.786%0.85774%0.742SS**  trans-89.6134.1-174.634.2-33.5000112.7
420S27.5Very low31.8Very low113 Ų113128.4 Ų128.479%0.7976%0.757SS**  trans-150.8111.1167.951.60000111.5
421S30.1Very low30.5Very low113 Ų113133 Ų13379%0.7978%0.775SS**  trans-58.8142.2157.5-580000109S423S421-S423 VanDerWaalsContact C-N 3.28Å; S421-S423 PolarHBondContact O-N 3.47Å
422S30.4Very low29.7Very low133 Ų133133.9 Ų133.993%0.9378%0.783SS**  trans-7377.1-178.858.70000112.3
423S27.1Very low29.1Very low80 Ų80135.1 Ų135.156%0.55979%0.785SS**  trans-96.8144.416258.30000110.2S421 Q425S421-S423 VanDerWaalsContact C-N 3.28Å; S421-S423 PolarHBondContact O-N 3.47Å; S423-Q425 VanDerWaalsContact C-N 3.27Å; S423-Q425 PolarHBondContact O-N 3.43Å
424L24.9Very low28.5Very low176 Ų176135.9 Ų135.992%0.92179%0.785SS**  trans-7581.3173.2-71.9169.1000109.4I426L424-I426 PolarHBondContact O-N 2.93Å
425Q23.8Very low28.4Very low158 Ų158138 Ų13874%0.73880%0.799SS**  trans-7296.2172.9-76.6-167-28.100110.7S423 R427S423-Q425 VanDerWaalsContact C-N 3.27Å; S423-Q425 PolarHBondContact O-N 3.43Å; Q425-R427 PolarHBondContact O-N 3.14Å; Q425-R427 VanDerWaalsContact O-N 3.1Å
426I24.7Very low28.2Very low152 Ų152134.1 Ų134.178%0.77980%0.797SS**  trans-61.5109.4163.2-60.6173.1000107.5L424 L428L424-I426 PolarHBondContact O-N 2.93Å; I426-L428 HydrophobicContact CG2-CD1 4.38Å; I426-L428 PolarHBondContact O-N 3.36Å
427R23.8Very low27.7Very low231 Ų231133.6 Ų133.687%0.87280%0.796SS**  trans-78.9105.1172.2-73.7-171.2174.3-156.2-0.7109.4Q425 A429Q425-R427 PolarHBondContact O-N 3.14Å; Q425-R427 VanDerWaalsContact O-N 3.1Å; R427-A429 PolarHBondContact O-N 3.09Å
428L24.4Very low27.5Very low162 Ų162135.2 Ų135.285%0.84880%0.797SS**  trans-65112.7162.9-112.771.9000109I426I426-L428 HydrophobicContact CG2-CD1 4.38Å; I426-L428 PolarHBondContact O-N 3.36Å
429A24.3Very low27.8Very low94 Ų94134.7 Ų134.778%0.77779%0.794SS**  trans-76120.5162.100000108R427 L431R427-A429 PolarHBondContact O-N 3.09Å; A429-L431 PolarHBondContact O-N 2.82Å
430R24.4Very low27.3Very low212 Ų212134.7 Ų134.780%0.879%0.791SS**  trans-77.4106.8176.3-179.6175171.9133.64.8109D432R430-D432 IonicContact CZ-OD2 3.26Å; R430-D432 IonicContact NE-OD2 3.63Å; R430-D432 PolarHBondContact NE-OD2 2.59Å; R430-D432 IonicContact NH2-OD1 3.81Å; R430-D432 IonicContact NH2-OD2 2.75Å; R430-D432 PolarHBondContact NH2-OD2 2.72Å; R430-D432 VanDerWaalsContact NH2-OD2 3.12Å; R430-D432 PolarHBondContact O-N 3.35Å
431L27.2Very low27.5Very low166 Ų166135.2 Ų135.287%0.86979%0.794SS**  trans-80.8103.6167.3-144.483000107.6A429A429-L431 PolarHBondContact O-N 2.82Å
432D30.1Very low27.4Very low116 Ų116132.9 Ų132.962%0.6279%0.788SS**  trans-91.9125.6165.7-106.3-62000108.1R430 S434R430-D432 IonicContact CZ-OD2 3.26Å; R430-D432 IonicContact NE-OD2 3.63Å; R430-D432 PolarHBondContact NE-OD2 2.59Å; R430-D432 IonicContact NH2-OD1 3.81Å; R430-D432 IonicContact NH2-OD2 2.75Å; R430-D432 PolarHBondContact NH2-OD2 2.72Å; R430-D432 VanDerWaalsContact NH2-OD2 3.12Å; R430-D432 PolarHBondContact O-N 3.35Å; D432-S434 PolarHBondContact O-N 3.41Å
433D28.2Very low27.4Very low147 Ų147133 Ų13379%0.78679%0.785SS**  trans-94.595.2-166-160.1-6.6000111.1
434S28.8Very low27.4Very low107 Ų107137.4 Ų137.475%0.74880%0.802SS**  trans-15885.6179-79.20000113.5D432D432-S434 PolarHBondContact O-N 3.41Å
435S32.1Very low27.4Very low128 Ų128134.2 Ų134.290%0.89580%0.801SS**  trans49.897.4142.7-57.60000119.8
436G28.5Very low27.5Very low76 Ų76131.1 Ų131.178%0.78480%0.802SS**  trans154.692.2147.400000120.4
437C25.7Very low27.5Very low125 Ų125131.4 Ų131.485%0.84581%0.805SS**  trans68.1127.3141.3-144.90000121.8
438S28.1Very low27.7Very low97 Ų97129 Ų12968%0.67880%0.803SS**  trans69103.3150.2-65.60000122.9
439S31.7Very low27.6Very low111 Ų111127.6 Ų127.678%0.77680%0.795SS**  trans62.2137.4136.869.90000119.5
440V27.7Very low27.7Very low132 Ų132128.9 Ų128.980%0.880%0.795SS**  cis-154.7139.843166.20000112.2
441S30.8Very low27.7Very low124 Ų124124.3 Ų124.387%0.86779%0.791SS**  trans26.7127.8151.2-153.90000123.1
442G28.8Very low27.6Very low63 Ų63125.5 Ų125.565%0.64979%0.792SS**  trans153.6113.7156.500000114.6
443P30Very low27.4Very low135 Ų135126.7 Ų126.788%0.87780%0.797SS**  trans-84.8116.217931.9-32000112.4
444L27.1Very low27.4Very low173 Ų173125.1 Ų125.191%0.90680%0.795SS**  trans-95.6116.5167.9-72.1171.4000110A446L444-A446 PolarHBondContact O-N 2.62Å
445A25.2Very low27.3Very low110 Ų110127.5 Ų127.591%0.90980%0.798SS**  trans-78.7107.3173.600000110.4
446A26.5Very low27.1Very low92 Ų92129.8 Ų129.876%0.7680%0.795SS**  trans-90.9124.3175.500000111L444 Q448L444-A446 PolarHBondContact O-N 2.62Å; A446-Q448 PolarHBondContact O-N 3.34Å
447L24.1Very low27.1Very low159 Ų159132.8 Ų132.883%0.83279%0.791SS**  trans-85.4101.2175.6-167.479.4000110I449L447-I449 HydrophobicContact CD2-CD1 4.26Å; L447-I449 HydrophobicContact CD2-CG1 4.42Å; L447-I449 HydrophobicContact CG-CG1 4.5Å
448Q27Very low27.2Very low181 Ų181132.7 Ų132.785%0.84679%0.787SS**  trans-87126.1172.2-71.7-176.8-37.200110.6A446A446-Q448 PolarHBondContact O-N 3.34Å
449I24.2Very low27.2Very low132 Ų132136.3 Ų136.368%0.67779%0.793SS**  trans-114.9102.2172.5-57.1177.1000107.6L447L447-I449 HydrophobicContact CD2-CD1 4.26Å; L447-I449 HydrophobicContact CD2-CG1 4.42Å; L447-I449 HydrophobicContact CG-CG1 4.5Å
450P24.6Very low26.9Very low120 Ų120139 Ų13978%0.77980%0.798SS**  trans-76.4125.7177.429.9-32.5000110.5
451V25.5Very low26.9Very low117 Ų117137 Ų13771%0.70980%0.795SS**  trans-113.6114.3171.9-1780000108.4
452Q24.5Very low26.8Very low190 Ų190136.9 Ų136.989%0.88879%0.794SS**  trans-84.2127.9173.6-70.9-174.9-31.200110.1
453I27.1Very low26.7Very low141 Ų141141.8 Ų141.872%0.72381%0.806SS**  trans-103.7118.5176.3-58175.2000108.6L455I453-L455 PolarHBondContact O-N 2.79Å
454P26.8Very low26.6Very low115 Ų115140.2 Ų140.275%0.74780%0.804SS**  trans-74.4113.4171.7-11.927.8000110.3Q456P454-Q456 PolarHBondContact O-N 2.71Å
455L26.3Very low26.6Very low156 Ų156136.5 Ų136.582%0.81780%0.799SS**  trans-76.4108.1168.8-75.2168.4000109.9I453I453-L455 PolarHBondContact O-N 2.79Å
456Q28.5Very low26.7Very low177 Ų177136 Ų13683%0.82780%0.795SS**  trans-100.7115.2159.1-72.6-158.4-11.800109.7P454P454-Q456 PolarHBondContact O-N 2.71Å
457I29.7Very low26.8Very low138 Ų138139.5 Ų139.571%0.70880%0.8SS**  trans-93.3107.2177-58.1172.7000108.1
458T26.9Very low26.9Very low124 Ų124134.8 Ų134.876%0.76179%0.79SS**  trans-101.7100.5167.944.30000110L460T458-L460 PolarHBondContact O-N 2.68Å
459H27.9Very low26.9Very low172 Ų172134.2 Ų134.280%0.79679%0.793SS**  trans-64.9118.9168.4-88.5-99.3000110.3
460L26.5Very low27Very low169 Ų169132.7 Ų132.789%0.88580%0.8SS**  trans-117.592.9154.5-86.4166.9000107.2T458T458-L460 PolarHBondContact O-N 2.68Å
461A27.6Very low27Very low89 Ų89134.8 Ų134.874%0.73680%0.803SS**  trans-70.3138.2170.900000109.6
462S27.9Very low27.6Very low121 Ų121135.4 Ų135.485%0.84681%0.807SS**  trans-119.2134.5159.8-165.90000106.5
463D26.8Very low27.5Very low166 Ų166133.5 Ų133.589%0.88880%0.802SS**  trans-68.5155.7-164.7-78.9-59.2000114.5
464A27.5Very low27.5Very low102 Ų102133.8 Ų133.884%0.84381%0.805SS**  trans-87.4161.8-170.500000114.2
465A27.7Very low28.1Very low96 Ų96134.8 Ų134.879%0.79382%0.815SS**  trans-154.2126.1150.300000111
466A28Very low28.3Very low100 Ų100130.5 Ų130.583%0.82681%0.809SS**  trans65.6139.1168.200000117.1
467D27.1Very low28.8Very low165 Ų165126.8 Ų126.888%0.88281%0.808SS**  cis-158169-5.7-149.1-11.2000111.7
468G26.9Very low28.6Very low59 Ų59128.6 Ų128.661%0.60882%0.818SS**  trans79.690.5146.500000120.6
469D27.8Very low28.7Very low170 Ų170130 Ų13091%0.90982%0.816SS**  trans47.3129.2145-67.8-12.1000123
470A25.1Very low28.6Very low100 Ų100128.6 Ų128.683%0.82682%0.82SS**  trans-95.1138.517100000112.6
471I25.1Very low28.5Very low163 Ų163128.2 Ų128.284%0.83681%0.811SS**  trans-125.8126.4166.2-57.5179.3000108.5
472T37.7Very low28.6Very low131 Ų131131.6 Ų131.680%0.80481%0.812SS**  trans-89121.1-174.336.90000112.8
473L23.5Very low28.5Very low150 Ų150132.8 Ų132.879%0.78581%0.807SS**  trans-143.8123.6162.5-80.7-178.6000113.7
474N26.5Very low28.6Very low147 Ų147131 Ų13179%0.78680%0.797SS**  trans51.6129.7145.1-61.9-22.9000122.1G476N474-G476 PolarHBondContact O-N 2.96Å
475S40.1Very low29Very low135 Ų135129 Ų12994%0.94478%0.776SS**  trans-57.7119.3158.6-50.80000111.5
476G30.8Very low29.3Very low67 Ų67128.9 Ų128.969%0.69177%0.769SS**  trans177.1103.8173.900000113.4N474N474-G476 PolarHBondContact O-N 2.96Å
477A37.1Very low29.9Very low99 Ų99128.9 Ų128.982%0.81875%0.75SS**  trans41.891.6163.600000118
478L27.3Very low30.4Very low176 Ų176127 Ų12792%0.92174%0.736SS**  trans-117.3134149.8-72.9177.5000109.4
479Q27.3Very low30.9Very low153 Ų153129.2 Ų129.272%0.71573%0.733SS**  trans-84.2120.1-170.6-67.8165.3-22.500110.8F481Q479-F481 HydrophobicContact CB-CD2 4.33Å; Q479-F481 HydrophobicContact CB-CE2 3.89Å; Q479-F481 HydrophobicContact CB-CZ 4.19Å; Q479-F481 WeakPolarHBondContact O-CD2 2.98Å; Q479-F481 PolarHBondContact O-N 2.83Å
480T27.1Very low31.5Very low142 Ų142125.5 Ų125.587%0.87171%0.711SS**  trans-73.9103.2163.2450000109.2E482T480-E482 PolarHBondContact O-N 3.42Å
481F24.2Very low32.2Very low162 Ų162125.6 Ų125.671%0.71170%0.703SS**  trans-75103.2174.4-70.7-88000110.5Q479 I483Q479-F481 HydrophobicContact CB-CD2 4.33Å; Q479-F481 HydrophobicContact CB-CE2 3.89Å; Q479-F481 HydrophobicContact CB-CZ 4.19Å; Q479-F481 WeakPolarHBondContact O-CD2 2.98Å; Q479-F481 PolarHBondContact O-N 2.83Å; F481-I483 PolarHBondContact O-N 2.83Å; F481-I483 VanDerWaalsContact O-N 3.16Å
482E28.6Very low33Very low160 Ų160119.6 Ų119.675%0.74867%0.674SS**  trans-78.394.4170.4-167.3179.9-162.900109.9T480 L484T480-E482 PolarHBondContact O-N 3.42Å; E482-L484 HydrophobicContact CG-CD2 4.24Å; E482-L484 HydrophobicContact CG-CG 4.14Å; E482-L484 PolarHBondContact O-N 3.49Å; E482-L484 VanDerWaalsContact O-N 3.12Å
483I26.9Very low33.1Very low146 Ų146117 Ų11775%0.74967%0.673SS**  trans-82.286.6174.4-55178.9000108.5F481 P485F481-I483 PolarHBondContact O-N 2.83Å; F481-I483 VanDerWaalsContact O-N 3.16Å; I483-P485 VanDerWaalsContact O-CD 3.3Å; I483-P485 WeakPolarHBondContact O-CD 3.36Å
484L29.3Very low33.7Very low129 Ų129114 Ų11468%0.67566%0.661SS**  trans-68.8117.2169.6-68.8172.9000109.8E482 S486E482-L484 HydrophobicContact CG-CD2 4.24Å; E482-L484 HydrophobicContact CG-CG 4.14Å; E482-L484 PolarHBondContact O-N 3.49Å; E482-L484 VanDerWaalsContact O-N 3.12Å; L484-S486 PolarHBondContact O-N 3.36Å
485P35.2Very low34.1Very low60 Ų60112.9 Ų112.939%0.3966%0.662SS.*  trans-66.9131.4176.226-32.6000110.9I483 F487I483-P485 VanDerWaalsContact O-CD 3.3Å; I483-P485 WeakPolarHBondContact O-CD 3.36Å; P485-F487 HydrophobicContact CB-CE2 4.33Å; P485-F487 HydrophobicContact CB-CZ 4.09Å; P485-F487 HydrophobicContact CG-CE2 3.79Å; P485-F487 HydrophobicContact CG-CZ 3.64Å; P485-F487 WeakPolarHBondContact O-CD2 3.4Å; P485-F487 WeakPolarHBondContact O-CE2 3.45Å; P485-F487 PolarHBondContact O-N 3.24Å
486S34.3Very low33.8Very low92 Ų92107.8 Ų107.864%0.64363%0.631SS**  trans-83.3106.1179.744.10000111.4L484L484-S486 PolarHBondContact O-N 3.36Å
487F40.3Very low34Very low101 Ų101105 Ų10544%0.44360%0.601SS.*  trans-86.8139.4175-56.3-76.1000111.6P485 L500 T502 L508P485-F487 HydrophobicContact CB-CE2 4.33Å; P485-F487 HydrophobicContact CB-CZ 4.09Å; P485-F487 HydrophobicContact CG-CE2 3.79Å; P485-F487 HydrophobicContact CG-CZ 3.64Å; P485-F487 WeakPolarHBondContact O-CD2 3.4Å; P485-F487 WeakPolarHBondContact O-CE2 3.45Å; P485-F487 PolarHBondContact O-N 3.24Å; F487-L500 HydrophobicContact CB-CD2 3.93Å; F487-L500 HydrophobicContact CD1-CD2 3.83Å; F487-L500 HydrophobicContact CG-CD2 3.87Å; F487-T502 HydrophobicContact CD1-CG2 3.88Å; F487-T502 HydrophobicContact CE1-CG2 3.81Å; F487-L508 HydrophobicContact CE1-CD2 4.34Å
488Q37.4Very low34.1Very low124 Ų124104.6 Ų104.658%0.57958%0.58SS**EExtended strand (participates in β ladder)trans-107.7125.6176.5-155.2166.115.100110.2Q501Q488-Q501 PolarHBondContact N-O 2.64Å; Q488-Q501 PolarHBondContact O-N 2.98Å
489L36.8Very low34.6Very low106 Ų10699.8 Ų99.856%0.55555%0.551SS**EExtended strand (participates in β ladder)trans-98.3122.9179.9-73169.2000110.7F498 Y499 L500L489-F498 HydrophobicContact CD2-CB 4.09Å; L489-Y499 WeakPolarHBondContact CA-O 3.49Å; L489-L500 HydrophobicContact CD2-CD1 3.54Å; L489-L500 HydrophobicContact CD2-CG 3.82Å
490Q41Very low35.1Very low93 Ų9395 Ų9544%0.43553%0.53SS..EExtended strand (participates in β ladder)trans-111.3129.9171.8-72-165.5-3.900111.4F498 Y499Q490-F498 WeakPolarHBondContact O-CA 3.47Å; Q490-Y499 PolarHBondContact N-O 2.83Å; Q490-Y499 PolarHBondContact O-N 3.28Å
491P40.7Very low35.7Very low101 Ų10189.9 Ų89.966%0.65650%0.496SS*.EExtended strand (participates in β ladder)trans-65.9132173.6-18.831.6000111.7G493 F498P491-G493 VanDerWaalsContact C-N 3.28Å; P491-G493 PolarHBondContact O-N 2.9Å; P491-F498 HydrophobicContact CB-CD1 4.34Å; P491-F498 HydrophobicContact CB-CE1 4.35Å; P491-F498 HydrophobicContact CG-CD1 4.33Å; P491-F498 HydrophobicContact CG-CE1 4.26Å
492T41.4Very low36.6Very low37 Ų3784.9 Ų84.923%0.22748%0.479CS..  trans-84.63-17571.10000114.4T494 T497 Y499T492-T494 VanDerWaalsContact C-N 3.27Å; T492-T497 HydrophobicContact CG2-CG2 4.01Å; T492-T497 PolarHBondContact N-O 3.43Å; T492-T497 WeakPolarHBondContact OG1-CB 3.37Å; T492-T497 WeakPolarHBondContact OG1-CG2 3.41Å; T492-T497 PolarHBondContact OG1-O 3.04Å; T492-Y499 HydrophobicContact CG2-CD1 3.93Å; T492-Y499 HydrophobicContact CG2-CD2 3.62Å; T492-Y499 HydrophobicContact CG2-CE1 3.94Å; T492-Y499 HydrophobicContact CG2-CE2 3.62Å; T492-Y499 HydrophobicContact CG2-CG 3.76Å
493G39Very low37Very low77 Ų7781.7 Ų81.779%0.79447%0.47SS*.SBendtrans84.7-8.5-170.900000114.4P491P491-G493 VanDerWaalsContact C-N 3.28Å; P491-G493 PolarHBondContact O-N 2.9Å
494T37.3Very low37.7Very low86 Ų8679.7 Ų79.753%0.52847%0.469SS..SBendtrans-101131.7172.2-54.70000109.9T492 T497T492-T494 VanDerWaalsContact C-N 3.27Å; T494-T497 PolarHBondContact O-N 3.09Å
495P33.5Very low38.2Very low124 Ų12481.4 Ų81.481%0.80548%0.479SS*.THydrogen-bonded Turntrans-55.1139.9175.8-2635.2000112.4T497P495-T497 PolarHBondContact O-N 3.1Å; P495-T497 PolarHBondContact O-OG1 3.43Å
496G34.8Very low38.4Very low29 Ų2984.8 Ų84.830%0.29949%0.49SS..THydrogen-bonded Turntrans65.919179.800000115.3S536G496-S536 WeakPolarHBondContact CA-OG 3.27Å; G496-S536 PolarHBondContact O-N 2.53Å; G496-S536 VanDerWaalsContact O-N 3.14Å; G496-S536 PolarHBondContact O-OG 2.66Å
497T35.4Very low38.6Very low8 Ų885.9 Ų85.95%0.04950%0.497CS..EExtended strand (participates in β ladder)trans-131.5127.9-177.7-48.80000111.6T492 T494 P495 I533 L534 H535T492-T497 HydrophobicContact CG2-CG2 4.01Å; T492-T497 PolarHBondContact N-O 3.43Å; T492-T497 WeakPolarHBondContact OG1-CB 3.37Å; T492-T497 WeakPolarHBondContact OG1-CG2 3.41Å; T492-T497 PolarHBondContact OG1-O 3.04Å; T494-T497 PolarHBondContact O-N 3.09Å; P495-T497 PolarHBondContact O-N 3.1Å; P495-T497 PolarHBondContact O-OG1 3.43Å; T497-I533 HydrophobicContact CG2-CG2 3.55Å; T497-L534 WeakPolarHBondContact CA-O 3.07Å; T497-H535 PolarHBondContact OG1-ND1 2.83Å
498F39Very low38.4Very low90 Ų9084.8 Ų84.840%0.39550%0.496SS..EExtended strand (participates in β ladder)trans-135.6147.2-176.6-56.1-88.8000111.6L489 Q490 P491 L534L489-F498 HydrophobicContact CD2-CB 4.09Å; Q490-F498 WeakPolarHBondContact O-CA 3.47Å; P491-F498 HydrophobicContact CB-CD1 4.34Å; P491-F498 HydrophobicContact CB-CE1 4.35Å; P491-F498 HydrophobicContact CG-CD1 4.33Å; P491-F498 HydrophobicContact CG-CE1 4.26Å; F498-L534 PolarHBondContact N-O 3.39Å; F498-L534 PolarHBondContact O-N 3.04Å
499Y37.7Very low38.1Very low76 Ų7685 Ų8530%0.29851%0.508SS..EExtended strand (participates in β ladder)trans-86130.8163.5-66.1-54.7000109.6L489 Q490 T492 H531 I532 I533L489-Y499 WeakPolarHBondContact CA-O 3.49Å; Q490-Y499 PolarHBondContact N-O 2.83Å; Q490-Y499 PolarHBondContact O-N 3.28Å; T492-Y499 HydrophobicContact CG2-CD1 3.93Å; T492-Y499 HydrophobicContact CG2-CD2 3.62Å; T492-Y499 HydrophobicContact CG2-CE1 3.94Å; T492-Y499 HydrophobicContact CG2-CE2 3.62Å; T492-Y499 HydrophobicContact CG2-CG 3.76Å; Y499-H531 HydrophobicContact CD1-CB 3.83Å; Y499-H531 HydrophobicContact CE1-CB 4.06Å; Y499-H531 AromaticContact CG-ND1 3.87Å; Y499-I532 WeakPolarHBondContact CA-O 3.47Å; Y499-I533 HydrophobicContact CD1-CG1 4.05Å; Y499-I533 HydrophobicContact CE1-CD1 4.15Å; Y499-I533 HydrophobicContact CE1-CG1 3.75Å
500L37.6Very low37.8Very low53 Ų5386.3 Ų86.328%0.27752%0.515SS..EExtended strand (participates in β ladder)trans-81.4136.1154.1-9792.3000109.4F487 L489 I532 L534F487-L500 HydrophobicContact CB-CD2 3.93Å; F487-L500 HydrophobicContact CD1-CD2 3.83Å; F487-L500 HydrophobicContact CG-CD2 3.87Å; L489-L500 HydrophobicContact CD2-CD1 3.54Å; L489-L500 HydrophobicContact CD2-CG 3.82Å; L500-I532 PolarHBondContact N-O 3.35Å; L500-L534 HydrophobicContact CD1-CD1 3.65Å
501Q40.4Very low37Very low34 Ų3487.3 Ų87.316%0.15953%0.532CS..EExtended strand (participates in β ladder)trans-127.3126.1171.9-166.4168.321.400109Q488 Q529Q488-Q501 PolarHBondContact N-O 2.64Å; Q488-Q501 PolarHBondContact O-N 2.98Å; Q501-Q529 VanDerWaalsContact NE2-CD 3.34Å; Q501-Q529 VanDerWaalsContact NE2-NE2 3.14Å; Q501-Q529 VanDerWaalsContact NE2-OE1 3.16Å
502T41.5Very low36.3Very low57 Ų5790.7 Ų90.735%0.3554%0.544SS..PPolyproline II helixtrans-88.3149.3171.852.30000110.2F487 L508F487-T502 HydrophobicContact CD1-CG2 3.88Å; F487-T502 HydrophobicContact CE1-CG2 3.81Å; T502-L508 HydrophobicContact CG2-CD2 4.23Å
503T38.1Very low35.4Very low92 Ų9293.8 Ų93.856%0.56457%0.567SS**PPolyproline II helixtrans-69.9139.8164.451.30000109.6
504S41Very low34.8Very low105 Ų10596.6 Ų96.673%0.73456%0.564SS**SBendtrans-52.2144.4-170.249.90000114.9
505N39.7Very low34.3Very low165 Ų16599.7 Ų99.788%0.88258%0.577SS**SBendtrans8226.5175.8-53.9-19.3000117.3
506Q40Very low33.8Very low130 Ų13099 Ų9961%0.60758%0.575SS**  trans-127.2119.4157.4-68.8-172.5-5.600110.7
507S37.2Very low33.3Very low115 Ų115103.1 Ų103.180%0.80459%0.594SS**  trans-79.7134.8173.151.70000110.6P509S507-P509 WeakPolarHBondContact O-CD 3.23Å
508L36.6Very low32.7Very low79 Ų79109.8 Ų109.841%0.41464%0.635SS.*  trans-69.8123.9178.1-69.2167.4000111F487 T502 L510 I532F487-L508 HydrophobicContact CE1-CD2 4.34Å; T502-L508 HydrophobicContact CG2-CD2 4.23Å; L508-L510 HydrophobicContact CB-CD1 4.44Å; L508-L510 HydrophobicContact CB-CG 4.27Å; L508-L510 PolarHBondContact O-N 3.32Å; L508-I532 HydrophobicContact CD1-CD1 3.64Å
509P32Very low32Very low128 Ų128110.4 Ų110.483%0.83165%0.646SS**  trans-78.589.1174.731.6-32.9000110S507S507-P509 WeakPolarHBondContact O-CD 3.23Å
510L29Very low31.2Very low134 Ų134115 Ų11570%0.70268%0.675SS**  trans-110.5116.3176.4-67.6177.4000111L508 I532L508-L510 HydrophobicContact CB-CD1 4.44Å; L508-L510 HydrophobicContact CB-CG 4.27Å; L508-L510 PolarHBondContact O-N 3.32Å; L510-I532 HydrophobicContact CD1-CD1 4.29Å
511S24.4Very low30.6Very low113 Ų113118.4 Ų118.479%0.7970%0.698SS**  trans-133.3129.4167.1-177.10000108.2
512L25.8Very low30.2Very low173 Ų173123.9 Ų123.991%0.90673%0.734SS**  trans-139122.7179.1-78.5172.2000110
513S23.6Very low29.4Very low102 Ų102124.4 Ų124.471%0.71375%0.75SS**  trans-147.4149.4167.966.40000107.9
514N26.4Very low28.9Very low136 Ų136125.6 Ų125.673%0.72776%0.763SS**SBendcis-123.1159.46.9-82.5-55.6000112.2
515N25.7Very low28.1Very low151 Ų151126.4 Ų126.481%0.80777%0.768SS**SBendtrans66.5121.2165.2-47.7-28.5000117.1
516S24.7Very low28.4Very low108 Ų108124.4 Ų124.476%0.75577%0.765SS**  cis-174.3145.9-13.338.50000110.1
517T23.6Very low27.7Very low117 Ų117123.4 Ų123.472%0.71877%0.772SS**  cis-164.3123-19.1-73.80000107.6
518V23.3Very low27.4Very low147 Ų147123.5 Ų123.589%0.89177%0.773SS**  trans-138.4126.8154.4173.90000109.6
519T24Very low27.1Very low103 Ų103126 Ų12663%0.63278%0.782SS**  trans-99.1145.2174.8-49.10000110.1T521T519-T521 HydrophobicContact CG2-CG2 4.33Å
520L21.5Very low27.2Very low174 Ų174128.3 Ų128.391%0.91178%0.782SS**  trans-144149.1140.7-91.9-172.2000110.8
521T23.9Very low27.5Very low124 Ų124125.8 Ų125.876%0.76177%0.766SS**  trans-103.9144.7-168.750.40000112.7T519T519-T521 HydrophobicContact CG2-CG2 4.33Å
522T31.4Very low28Very low148 Ų148124 Ų12491%0.90875%0.747SS**  trans-74.7140.3178.349.30000112.5
523G25.4Very low28.2Very low68 Ų68120.1 Ų120.170%0.70173%0.726SS**  trans-140.984.6-176.600000113.6
524S27.1Very low28.5Very low117 Ų117120 Ų12082%0.81872%0.717SS**SBendtrans52.5113.5162.658.70000120.3
525S25.9Very low28.5Very low122 Ų122120.4 Ų120.485%0.85371%0.714SS**  trans75.7153.2153.5-69.20000118.9
526P44.2Very low28.7Very low124 Ų124117.1 Ų117.181%0.80570%0.703SS**  trans-104.7135.2-145.236.7-32.8000115.2
527S26.9Very low28.7Very low108 Ų108120.5 Ų120.576%0.75571%0.712SS**  trans-159.9150.1149.668.30000111.8
528S29.1Very low28.9Very low118 Ų118119.8 Ų119.883%0.82571%0.712SS**SBendtrans71.8159.4172.4-470000116.6
529Q32.3Very low29.2Very low130 Ų130119.9 Ų119.961%0.60771%0.712SS**  trans-86.7136.4-169-68.1166.7-35.400111.6Q501 H531Q501-Q529 VanDerWaalsContact NE2-CD 3.34Å; Q501-Q529 VanDerWaalsContact NE2-NE2 3.14Å; Q501-Q529 VanDerWaalsContact NE2-OE1 3.16Å; Q529-H531 PolarHBondContact O-CD2 3.15Å; Q529-H531 VanDerWaalsContact O-CD2 3.32Å
530E32.9Very low29.3Very low178 Ų178119.2 Ų119.283%0.83271%0.712SS**  trans-79128.4168.1-65-175.1154.600109.6
531H35.1Very low29.7Very low81 Ų81119.5 Ų119.538%0.37571%0.708SS.*  trans-120.6117.6-179.2-72.9-92.8000110.1Y499 Q529Y499-H531 HydrophobicContact CD1-CB 3.83Å; Y499-H531 HydrophobicContact CE1-CB 4.06Å; Y499-H531 AromaticContact CG-ND1 3.87Å; Q529-H531 PolarHBondContact O-CD2 3.15Å; Q529-H531 VanDerWaalsContact O-CD2 3.32Å
532I35.3Very low29.9Very low75 Ų75121.8 Ų121.839%0.38572%0.715SS.*EExtended strand (participates in β ladder)trans-92.7137.4173.2-60.3178.5000109.2Y499 L500 L508 L510Y499-I532 WeakPolarHBondContact CA-O 3.47Å; L500-I532 PolarHBondContact N-O 3.35Å; L508-I532 HydrophobicContact CD1-CD1 3.64Å; L510-I532 HydrophobicContact CD1-CD1 4.29Å
533I30.7Very low29.6Very low92 Ų92121 Ų12147%0.47271%0.71SS.*EExtended strand (participates in β ladder)trans-106126.6179.8-60.6176.5000109T497 Y499T497-I533 HydrophobicContact CG2-CG2 3.55Å; Y499-I533 HydrophobicContact CD1-CG1 4.05Å; Y499-I533 HydrophobicContact CE1-CD1 4.15Å; Y499-I533 HydrophobicContact CE1-CG1 3.75Å
534L29.3Very low29.6Very low100 Ų100127.2 Ų127.252%0.52472%0.718SS.*EExtended strand (participates in β ladder)trans-114.6141.8173.1-92.1153.9000110.8T497 F498 L500T497-L534 WeakPolarHBondContact CA-O 3.07Å; F498-L534 PolarHBondContact N-O 3.39Å; F498-L534 PolarHBondContact O-N 3.04Å; L500-L534 HydrophobicContact CD1-CD1 3.65Å
535H26.8Very low29.7Very low143 Ų143127.5 Ų127.566%0.66272%0.716SS**EExtended strand (participates in β ladder)trans-118.4136.1175.8-66.4-65.9000110.6T497T497-H535 PolarHBondContact OG1-ND1 2.83Å
536S29Very low29.8Very low83 Ų83126 Ų12658%0.5871%0.712SS**PPolyproline II helixtrans-96137.7168.357.60000111.5G496G496-S536 WeakPolarHBondContact CA-OG 3.27Å; G496-S536 PolarHBondContact O-N 2.53Å; G496-S536 VanDerWaalsContact O-N 3.14Å; G496-S536 PolarHBondContact O-OG 2.66Å
537L25.2Very low29Very low178 Ų178128.9 Ų128.993%0.93271%0.714SS**PPolyproline II helixtrans-78.4147.8175.9-65.5173.8000111.9
538S26.6Very low28.9Very low102 Ų102130.5 Ų130.571%0.71372%0.72SS**PPolyproline II helixtrans-88.6137.8-178.8-177.10000112.3S540S538-S540 PolarHBondContact O-N 3.36Å; S538-S540 PolarHBondContact OG-OG 2.81Å
539V30.3Very low28.8Very low150 Ų150132.7 Ų132.791%0.90972%0.722SS**  trans-84101.4172.8-1780000108.8
540S26.4Very low28.5Very low89 Ų89129.8 Ų129.862%0.62273%0.727SS**  trans-143.157.9-173.8-66.20000113.4S538S538-S540 PolarHBondContact O-N 3.36Å; S538-S540 PolarHBondContact OG-OG 2.81Å
541H28.9Very low28.1Very low179 Ų179130 Ų13083%0.82973%0.734SS**  trans-169102.4160.8-109.9-75.2000112
542L28.2Very low27.8Very low173 Ų173132.3 Ų132.391%0.90676%0.757SS**  trans-152.1137.7151.2-82.2-171000108.8
543V25.9Very low27.5Very low131 Ų131134.5 Ų134.579%0.79478%0.779SS**  trans-120.7133.3178174.90000108.2
544F26.1Very low27.4Very low199 Ų199134 Ų13487%0.87380%0.797SS**  trans-90.1135.9177.6-75.5-84.2000112.4
545P28.9Very low27.2Very low122 Ų122137.2 Ų137.279%0.79281%0.814SS**  trans-100.6178.4137.834.7-27.6000110.7
546A26.8Very low27.1Very low92 Ų92133.6 Ų133.676%0.7682%0.816SS**  trans-116.3161.3-157.200000116.5
547Q27.4Very low26.9Very low183 Ų183136 Ų13686%0.85583%0.827SS**  trans60.9111.6160.6-68.3-178.5-9.600119.7
548T25.8Very low27Very low143 Ų143135 Ų13588%0.87782%0.821SS**  -168.4169.8110.616.10000110.9
549D26Very low26.9Very low163 Ų163137.1 Ų137.187%0.87282%0.822SS**  trans-83.9150-167.5-58.2-85.7000116
550G26.4Very low26.5Very low69 Ų69138.2 Ų138.271%0.71182%0.817SS**  trans110.2118.3132.400000119.3
551L25.5Very low26.5Very low184 Ų184139.8 Ų139.896%0.96382%0.824SS**  trans71154.6157.4-64.1167.1000118
552C28.3Very low26.4Very low128 Ų128137.8 Ų137.887%0.86582%0.824SS**  trans-103.7130.7-162.7-51.90000112.7
553S28.3Very low26.4Very low122 Ų122134.6 Ų134.685%0.85382%0.816SS**  trans-156.2159.4146.3-80.20000108.6
554G29.1Very low26.5Very low81 Ų81133.1 Ų133.184%0.83582%0.817SS**  trans-85123-166.700000114.2G556G554-G556 PolarHBondContact O-N 3.29Å
555D24.3Very low26.7Very low168 Ų168131 Ų13190%0.89882%0.815SS**  trans-75112.9169.3-72.5-43.7000111.2
556G25.6Very low27Very low67 Ų67130.7 Ų130.769%0.69181%0.813SS**  trans-90.5126.1168.800000111G554 I558G554-G556 PolarHBondContact O-N 3.29Å; G556-I558 PolarHBondContact O-N 3.22Å
557V24.7Very low27.1Very low134 Ų134130.9 Ų130.981%0.81281%0.814SS**  trans-75.1109.2177-177.60000110.1I559V557-I559 HydrophobicContact CG1-CG1 3.98Å
558I26.8Very low27.9Very low157 Ų157127.8 Ų127.881%0.80581%0.81SS**  trans-84.6117.3167.9-59.1175.4000108.2G556G556-I558 PolarHBondContact O-N 3.22Å
559I25.4Very low28.4Very low145 Ų145130.1 Ų130.174%0.74483%0.832SS**  trans-100111.7169.6-57.5-177.5000108.4V557V557-I559 HydrophobicContact CG1-CG1 3.98Å
560Q22.5Very low28.5Very low173 Ų173128.5 Ų128.581%0.80883%0.83SS**  trans-96.5114.2176.3-169.3174.415.900109.4V562Q560-V562 PolarHBondContact O-N 3.04Å
561T26.5Very low28.6Very low123 Ų123131.6 Ų131.676%0.75584%0.837SS**  trans-78.6113.5-179.850.90000111.1
562V25Very low28.8Very low137 Ų137128.7 Ų128.783%0.8383%0.83SS**  trans-83.4113.1168.2-179.70000108.7Q560Q560-V562 PolarHBondContact O-N 3.04Å
563S29.4Very low28.8Very low106 Ų106128.7 Ų128.774%0.74183%0.827SS**PPolyproline II helixtrans-73.4132.3168.5-61.60000110.1
564A28.2Very low28.8Very low99 Ų99129.1 Ų129.182%0.81883%0.826SS**PPolyproline II helixtrans-89.7130.7160.800000108.6
565D29.4Very low28.8Very low156 Ų156132.3 Ų132.383%0.83483%0.825SS**PPolyproline II helixtrans-67.6145.9179.6-86.9-46000112.3
566P34.8Very low29.1Very low114 Ų114129.8 Ų129.874%0.7482%0.82SS**PPolyproline II helixtrans-73.1132.2170.931-33.2000110.8
567A29.8Very low29.4Very low96 Ų96134.6 Ų134.679%0.79383%0.83SS**PPolyproline II helixtrans-72.8136.9169.700000110.8
568P44.1Very low29.8Very low119 Ų119134.7 Ų134.777%0.77383%0.831SS**PPolyproline II helixtrans-78.4161171.736.2-37000110.8
569S35.5Very low30.1Very low191 Ų191132.6 Ų132.6100%1.33683%0.834SS**  cis-139012.5-37.30000111.7

Retrieved 569 of 569 residues in 92 ms (Link to these results)