X6R3T8_HUMAN Loading...

SAP30 binding protein

AlphaFold DB , UniProt , Accession X6R3T8, Species HUMAN (Homo sapiens, Human), Gene SAP30BP, Length 235 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
1M37.5Very low50.5Low247 Ų247154.1 Ų154.1100%1.21788%0.878SS**  0121.60-68.5-169.1-165.100108.1
2A42.3Very low50.5Low104 Ų104148.8 Ų148.886%0.8687%0.867SS**PPolyproline II helixtrans-84.8121.6-178.100000110.5
3G51.2Low50.1Low69 Ų69146.9 Ų146.971%0.71186%0.859SS**PPolyproline II helixtrans-79.3122.2175.900000111.3
4K55.2Low49.5Very low212 Ų212153.6 Ų153.692%0.92287%0.865SS**PPolyproline II helixtrans-76122.8174.3-66165.2175.2177.30108.7
5K60.7Low49.1Very low189 Ų189148.1 Ų148.182%0.82285%0.846SS**PPolyproline II helixtrans-100.6120172-34.1179.9-165.5175.90107.7
6N52.7Low48.9Very low153 Ų153150 Ų15082%0.81885%0.845SS**PPolyproline II helixtrans-73.4132.1174.752.5-7.5000110.3
7V53.4Low48.6Very low139 Ų139151 Ų15184%0.84285%0.848SS**  trans-112.763.6-177.6-158.70000109.4
8L52.2Low48.6Very low172 Ų172147.4 Ų147.490%0.90184%0.835SS**  trans-140.372.4177.4-78.3174.1000110.4
9S52.6Low48.3Very low113 Ų113149 Ų14979%0.7983%0.834SS**  trans-164.686.2169.1162.50000109.1
10S53.5Low48.1Very low127 Ų127147.3 Ų147.389%0.88883%0.83SS**  trans-172.767.7152.9-86.10000108.9
11L44.1Very low47.6Very low170 Ų170149 Ų14989%0.8983%0.831SS**  trans-111.290.7161.7-175.167.2000106
12A50.5Low47.8Very low90 Ų90143 Ų14374%0.74481%0.813SS**  trans-85.1122.117500000108.9
13V45.1Very low47.8Very low125 Ų125145 Ų14576%0.75881%0.81SS**  trans-71.9118.2173.7172.90000108A15V13-A15 HydrophobicContact CG1-CB 4.26Å; V13-A15 PolarHBondContact O-N 3.26Å
14Y42.1Very low47.2Very low241 Ų241145.6 Ų145.695%0.94582%0.816SS**  trans-88.597163.7-104.1-97.2000107.5
15A43.5Very low46.5Very low71 Ų71144.7 Ų144.759%0.58782%0.815SS**  trans-96.6134.5166.200000108.7V13V13-A15 HydrophobicContact CG1-CB 4.26Å; V13-A15 PolarHBondContact O-N 3.26Å
16E46.4Very low45.4Very low178 Ų178140.6 Ų140.683%0.83282%0.816SS**  trans21.4110.1153.9-70175.4111.100118.1
17D42.8Very low44.5Very low167 Ų167136.4 Ų136.489%0.89381%0.81SS**  trans-133.998.1148.2-156.524.2000108.3
18S48.3Very low43.8Very low87 Ų87138.1 Ų138.161%0.60881%0.812SS**  trans-73.8130.5170.2-560000108.5
19E42.9Very low43Very low177 Ų177138.8 Ų138.883%0.82781%0.811SS**  151174.2103.5-72.1-144.415700107.5
20P44.8Very low42.3Very low115 Ų115138.3 Ų138.375%0.74781%0.814SS**  cis-125167.7-1824.3-2.9000114.1
21E37.4Very low41.3Very low182 Ų182139.4 Ų139.485%0.8582%0.815SS**  trans-58141.3168.1-64.7-176.1123.100112.4
22S41.5Very low40.7Very low121 Ų121134.4 Ų134.485%0.84680%0.804SS**  trans-132.594.7169.2179.10000108.4
23D43.5Very low39.8Very low147 Ų147136.1 Ų136.179%0.78681%0.81SS**  trans-66.7134171.2-67.9-36.9000110.6
24G37.5Very low39.4Very low82 Ų82135.2 Ų135.285%0.84582%0.816SS**  trans-145.974.1174.900000110.5
25E41.8Very low39.2Very low193 Ų193128.6 Ų128.690%0.90281%0.811SS**  trans-78.6123.8164.468.5-165.3158.700110.1
26A36.8Very low39.3Very low102 Ų102133.8 Ų133.884%0.84382%0.823SS**  trans176.7113.215400000105.8
27G33.7Very low39.1Very low66 Ų66134 Ų13468%0.6883%0.825SS**  112.683.270.300000107.2E29G27-E29 PolarHBondContact O-N 3.14Å
28I40.2Very low39.5Very low175 Ų175135.4 Ų135.490%0.89782%0.822SS**  trans-75.4107.7169.132160.8000108.7
29E34.5Very low39.1Very low186 Ų186134.1 Ų134.187%0.86982%0.823SS**  trans-148.8131.3160.825.4-151.414200112.1G27G27-E29 PolarHBondContact O-N 3.14Å
30A38.5Very low38.9Very low103 Ų103129.2 Ų129.285%0.85182%0.82SS**  trans-87.4136.9-176.600000111
31V32Very low38.9Very low150 Ų150131.6 Ų131.691%0.90983%0.826SS**  trans-171.9134.8134.270.30000109.4
32G32Very low39.2Very low64 Ų64128.6 Ų128.666%0.6682%0.819SS**  trans-87173.5-171.100000116.1
33S31Very low39.4Very low126 Ų126128.1 Ų128.188%0.88182%0.816SS**  trans-169.3129.3140.6-83.10000111.8
34A37.4Very low39.3Very low107 Ų107127.5 Ų127.588%0.88481%0.813SS**  trans11.9120.1154.700000120.6
35A36.5Very low39.5Very low101 Ų101128 Ų12884%0.83581%0.809SS**  trans-147.5125.114100000109.2E37A35-E37 PolarHBondContact O-N 3.03Å
36E46.3Very low39.7Very low181 Ų181129.7 Ų129.785%0.84681%0.809SS**  trans-60.2125.8170.7-74.1179.8101.300110.5
37E42.2Very low39.9Very low183 Ų183127.6 Ų127.686%0.85580%0.797SS**  trans-138.1108.6153.9-162.5-174.6163.600108.5A35 G39A35-E37 PolarHBondContact O-N 3.03Å; E37-G39 VanDerWaalsContact C-N 3.26Å; E37-G39 PolarHBondContact O-N 2.96Å
38K51Low40.5Very low195 Ų195133.7 Ų133.785%0.84881%0.807SS**  trans-74.180.1174.4-68.5-171.6178-179.30109.5G40K38-G40 PolarHBondContact O-N 2.97Å
39G39Very low40.6Very low60 Ų60132.3 Ų132.362%0.61980%0.802SS**  trans-84.998.4164.100000109.8E37 L41E37-G39 VanDerWaalsContact C-N 3.26Å; E37-G39 PolarHBondContact O-N 2.96Å; G39-L41 PolarHBondContact O-N 2.89Å
40G40.4Very low40.9Very low75 Ų75128.6 Ų128.677%0.77379%0.788SS**  trans-63.1111.2179.900000112.3K38 V42K38-G40 PolarHBondContact O-N 2.97Å; G40-V42 PolarHBondContact O-N 3.32Å
41L44.6Very low40.8Very low165 Ų165133.6 Ų133.686%0.86479%0.791SS**  trans-73.7107.9163.8-72.9160.5000107.8G39 S43G39-L41 PolarHBondContact O-N 2.89Å; L41-S43 PolarHBondContact O-N 3.36Å
42V42.6Very low41.6Very low118 Ų118131.3 Ų131.372%0.71578%0.782SS**  trans-70.796.1167.7176.20000107.1G40 D44G40-V42 PolarHBondContact O-N 3.32Å; V42-D44 VanDerWaalsContact C-N 3.27Å; V42-D44 PolarHBondContact O-N 3.26Å; V42-D44 VanDerWaalsContact O-N 3.12Å
43S45.3Very low42.5Very low111 Ų111138.6 Ų138.678%0.77679%0.789SS**  trans-74.586.7162-54.50000107.6L41 A45L41-S43 PolarHBondContact O-N 3.36Å; S43-A45 VanDerWaalsContact C-N 3.34Å; S43-A45 PolarHBondContact O-N 2.76Å
44D41.2Very low43.2Very low135 Ų135140.7 Ų140.772%0.72279%0.789SS**  trans-68.6102.5160.1-87.5-43.2000106.9V42 Y46V42-D44 VanDerWaalsContact C-N 3.27Å; V42-D44 PolarHBondContact O-N 3.26Å; V42-D44 VanDerWaalsContact O-N 3.12Å; D44-Y46 PolarHBondContact O-N 3.41Å
45A43.3Very low43.3Very low91 Ų91139 Ų13975%0.75278%0.783SS**  trans-56.8116.4166.300000107.7S43 G47S43-A45 VanDerWaalsContact C-N 3.34Å; S43-A45 PolarHBondContact O-N 2.76Å; A45-G47 PolarHBondContact O-N 3.04Å
46Y44.3Very low43.9Very low230 Ų230137.5 Ų137.590%0.90278%0.777SS**  trans-57.4108.1162.3-82.7-96.4000106.5D44 E48D44-Y46 PolarHBondContact O-N 3.41Å; Y46-E48 PolarHBondContact O-N 3.02Å
47G42.4Very low43.6Very low57 Ų57136.2 Ų136.259%0.58878%0.776SS**  trans-51.7130.4175.500000109.5A45 D49A45-G47 PolarHBondContact O-N 3.04Å; G47-D49 PolarHBondContact O-N 3.48Å
48E46.1Very low44.1Very low195 Ų195137.3 Ų137.391%0.91178%0.781SS**  trans-59.383157.2-74.3178.896.500108.1Y46 D50Y46-E48 PolarHBondContact O-N 3.02Å; E48-D50 VanDerWaalsContact C-N 3.26Å; E48-D50 PolarHBondContact O-N 3.4Å; E48-D50 VanDerWaalsContact O-N 3.1Å
49D41.1Very low43.5Very low146 Ų146134.9 Ų134.978%0.78178%0.777SS**  trans-77.492.5159.8-73.9-47.8000106.9G47 F51G47-D49 PolarHBondContact O-N 3.48Å; D49-F51 PolarHBondContact O-N 3.35Å
50D42Very low43.7Very low108 Ų108135.4 Ų135.458%0.57878%0.782SS**  trans-36.692165.4-177.623.5000112.1E48 S52E48-D50 VanDerWaalsContact C-N 3.26Å; E48-D50 PolarHBondContact O-N 3.4Å; E48-D50 VanDerWaalsContact O-N 3.1Å; D50-S52 PolarHBondContact O-N 3.4Å; D50-S52 WeakPolarHBondContact OD1-CB 3.37Å; D50-S52 PolarHBondContact OD1-N 3.11Å; D50-S52 PolarHBondContact OD1-OG 3.26Å
51F36.1Very low43.6Very low208 Ų208142 Ų14291%0.91279%0.785SS**THydrogen-bonded Turntrans-75.45.4171-114-89.7000112.6D49D49-F51 PolarHBondContact O-N 3.35Å
52S47.9Very low43.6Very low102 Ų102142.1 Ų142.171%0.71378%0.781SS**THydrogen-bonded Turntrans-935.3-167-14.60000114.8D50D50-S52 PolarHBondContact O-N 3.4Å; D50-S52 WeakPolarHBondContact OD1-CB 3.37Å; D50-S52 PolarHBondContact OD1-N 3.11Å; D50-S52 PolarHBondContact OD1-OG 3.26Å
53R51.1Low43.5Very low217 Ų217144.7 Ų144.782%0.81979%0.786SS**  trans-114.255.1-174.7-154.2177.5-176.3165.91.9114.6
54L45.7Very low43.3Very low169 Ų169147.2 Ų147.289%0.88579%0.785SS**  trans-121.395.3146.4-65.6174.7000104.1
55G40.5Very low43.5Very low72 Ų72149 Ų14974%0.74279%0.789SS**  72.781.173.500000106.1
56G48.5Very low43.2Very low69 Ų69152 Ų15271%0.71179%0.793SS**  trans-61.2145.8-169.400000113
57D39.7Very low43.4Very low155 Ų155148.9 Ų148.983%0.82979%0.786SS**  trans-136.2115.8143.5-76.5-48.2000105.6D59D57-D59 PolarHBondContact O-N 3.05Å
58E54.1Low43.2Very low205 Ų205151.9 Ų151.996%0.95879%0.789SS**  trans-8297.2172.7177.8-177.5145.500106.1
59D37.6Very low43.3Very low145 Ų145147.9 Ų147.978%0.77578%0.783SS**  trans-106.9110.7168.358.7-24000110.2D57 Y61D57-D59 PolarHBondContact O-N 3.05Å; D59-Y61 PolarHBondContact O-N 3.28Å
60G42.3Very low43.6Very low70 Ų70151 Ų15172%0.72278%0.784SS**  trans-60.2126177.100000111.4E62G60-E62 PolarHBondContact O-N 2.92Å
61Y39.1Very low43.9Very low214 Ų214154.5 Ų154.584%0.83980%0.797SS**  trans-76.2106.1167.253.9-82.8000107.9D59D59-Y61 PolarHBondContact O-N 3.28Å
62E45Very low44.2Very low167 Ų167149.5 Ų149.578%0.7879%0.787SS**  trans-89.1113.4161.5-71.1-89.6174.100106.4G60 E64G60-E62 PolarHBondContact O-N 2.92Å; E62-E64 PolarHBondContact O-N 3.22Å
63E40.7Very low43.8Very low172 Ų172151.1 Ų151.180%0.80479%0.788SS**  trans-73.7105.2166.6-87.3-179.4156.200108.1
64E40.8Very low43.6Very low164 Ų164146 Ų14677%0.76678%0.777SS**  trans-93.9107.8164.4-66.8-73.1-172.500108.2E62 D66E62-E64 PolarHBondContact O-N 3.22Å; E64-D66 PolarHBondContact O-N 2.84Å; E64-D66 VanDerWaalsContact O-N 3.14Å
65E44.2Very low43.6Very low172 Ų172142.6 Ų142.680%0.80476%0.763SS**  trans-69.597.9171.5-72.4-178.3154.900109.6E67E65-E67 PolarHBondContact O-N 3.45Å
66D37.8Very low44.1Very low156 Ų156145 Ų14583%0.83476%0.755SS**  trans-87.492.2176.6-130.1-30.4000110.6E64 N68E64-D66 PolarHBondContact O-N 2.84Å; E64-D66 VanDerWaalsContact O-N 3.14Å; D66-N68 PolarHBondContact O-N 2.81Å
67E49.8Very low44.2Very low163 Ų163144.2 Ų144.276%0.76274%0.742SS**  trans-63.590.3167.9-75.7-82.9173.600110.7E65E65-E67 PolarHBondContact O-N 3.45Å
68N37.1Very low44.8Very low120 Ų120145.5 Ų145.564%0.64274%0.743SS**  trans-121.572.7168.2-163.47.7000111.9D66 R70D66-N68 PolarHBondContact O-N 2.81Å; N68-R70 VanDerWaalsContact C-N 3.31Å; N68-R70 PolarHBondContact O-N 3.09Å
69S49.3Very low45Very low112 Ų112143.6 Ų143.678%0.78373%0.731SS**  trans-64.488.1160.7-75.20000110.5
70R45.7Very low46.1Very low211 Ų211142.5 Ų142.580%0.79672%0.716SS**  trans-114.291.9158.1-82.2-175.5172.1176.80.1109.6N68 S72N68-R70 VanDerWaalsContact C-N 3.31Å; N68-R70 PolarHBondContact O-N 3.09Å; R70-S72 PolarHBondContact O-N 2.84Å
71Q50.1Low47.8Very low182 Ų182143 Ų14385%0.8570%0.703SS**  trans-42.6101.5167.5-168.6160.5-16.800110.9
72S41.4Very low49.7Very low102 Ų102137 Ų13771%0.71369%0.689SS**  trans-107.5112.2159.362.90000106.2R70 N74R70-S72 PolarHBondContact O-N 2.84Å; S72-N74 PolarHBondContact O-N 3.27Å
73D40Very low51.1Low136 Ų136132.9 Ų132.973%0.72767%0.67SS**  trans-59.996.7174-93.5-53.2000109.2
74N45.7Very low53Low111 Ų111129.9 Ų129.959%0.59466%0.656SS**  trans-143.244168.5-138.9-2000110.6S72 E76 A77S72-N74 PolarHBondContact O-N 3.27Å; N74-E76 PolarHBondContact O-N 3.13Å; N74-A77 PolarHBondContact O-N 2.94Å
75T46.4Very low54.9Low96 Ų96126 Ų12659%0.58964%0.64SS**THydrogen-bonded Turntrans-71.93.9-171.9-310000114.6
76E49.9Very low56.6Low123 Ų123121.2 Ų121.258%0.57562%0.623SS**THydrogen-bonded Turntrans-112.7-9.3179.6-92.3-69.6124.800114.3N74 R80N74-E76 PolarHBondContact O-N 3.13Å; E76-R80 IonicContact OE2-CZ 3.78Å; E76-R80 IonicContact OE2-NH2 3.66Å; E76-R80 PolarHBondContact OE2-NH2 3.24Å
77A52.2Low58.8Low52 Ų52114.4 Ų114.443%0.4359%0.588SS.*THydrogen-bonded Turntrans-91.6-22.3-179.900000113.2N74 K79N74-A77 PolarHBondContact O-N 2.94Å; A77-K79 VanDerWaalsContact C-N 3.33Å; A77-K79 PolarHBondContact O-N 3.03Å
78E51.8Low60.2Low182 Ų182109.9 Ų109.985%0.8557%0.574SS**THydrogen-bonded Turntrans-83.1-3.4-175.7-68.8-167.7147.700114.6
79K57.2Low62.4Low166 Ų166110.6 Ų110.672%0.72257%0.572SS**THydrogen-bonded Turntrans-113.8-5.3-175.7-62.2-179.9-174.3173.60114.9A77A77-K79 VanDerWaalsContact C-N 3.33Å; A77-K79 PolarHBondContact O-N 3.03Å
80R61.7Low63.9Low121 Ų121106.9 Ų106.946%0.45755%0.546SS..SBendtrans-83.9134-178.8-65.4-90.417576.415108.8E76 L85E76-R80 IonicContact OE2-CZ 3.78Å; E76-R80 IonicContact OE2-NH2 3.66Å; E76-R80 PolarHBondContact OE2-NH2 3.24Å; R80-L85 HydrophobicContact CB-CD1 4.33Å; R80-L85 HydrophobicContact CB-CD2 3.83Å; R80-L85 HydrophobicContact CB-CG 3.94Å; R80-L85 HydrophobicContact CG-CD2 4.28Å
81D78.4Confident65.7Low82 Ų82101.6 Ų101.644%0.43953%0.53SS..  trans-58131.6174.3179.277.3000109.5Q83 E84 L85D81-Q83 PolarHBondContact O-N 3.22Å; D81-Q83 VanDerWaalsContact O-N 3.07Å; D81-Q83 PolarHBondContact OD1-OE1 3.46Å; D81-Q83 WeakPolarHBondContact OD2-CB 3.36Å; D81-Q83 PolarHBondContact OD2-N 2.98Å; D81-Q83 VanDerWaalsContact OD2-N 3.1Å; D81-Q83 PolarHBondContact OD2-OE1 2.88Å; D81-E84 HydrophobicContact CB-CB 4.45Å; D81-E84 HydrophobicContact CB-CG 4.16Å; D81-E84 WeakPolarHBondContact O-CB 3.21Å; D81-E84 PolarHBondContact O-N 3.34Å; D81-L85 PolarHBondContact O-N 3.46Å
82P78.5Confident67.3Low86 Ų86101.9 Ų101.956%0.55852%0.524SS*.Hα-helixtrans-53.6-31.5-177.5-29.135.9000113.6L85 V86P82-L85 PolarHBondContact O-N 3.22Å; P82-V86 WeakPolarHBondContact O-CG2 3.18Å; P82-V86 PolarHBondContact O-N 3.44Å; P82-V86 VanDerWaalsContact O-N 3.15Å
83Q75.6Confident69.2Low82 Ų8299.5 Ų99.538%0.38351%0.505SS..Hα-helixtrans-74.2-32.5179.7-65.673.6-10.300111.6D81 L85 V86 A87 K167D81-Q83 PolarHBondContact O-N 3.22Å; D81-Q83 VanDerWaalsContact O-N 3.07Å; D81-Q83 PolarHBondContact OD1-OE1 3.46Å; D81-Q83 WeakPolarHBondContact OD2-CB 3.36Å; D81-Q83 PolarHBondContact OD2-N 2.98Å; D81-Q83 VanDerWaalsContact OD2-N 3.1Å; D81-Q83 PolarHBondContact OD2-OE1 2.88Å; Q83-L85 VanDerWaalsContact C-N 3.34Å; Q83-V86 PolarHBondContact O-N 3.07Å; Q83-A87 WeakPolarHBondContact O-CB 3.37Å; Q83-A87 PolarHBondContact O-N 2.84Å; Q83-K167 HydrophobicContact CG-CD 4.47Å
84E78.9Confident71Confident109 Ų10999.5 Ų99.551%0.50949%0.494SS..Hα-helixtrans-66.2-36.4171.5-72.5-170.616400112.3D81 A87 S88D81-E84 HydrophobicContact CB-CB 4.45Å; D81-E84 HydrophobicContact CB-CG 4.16Å; D81-E84 WeakPolarHBondContact O-CB 3.21Å; D81-E84 PolarHBondContact O-N 3.34Å; E84-A87 PolarHBondContact O-N 3.4Å; E84-S88 VanDerWaalsContact O-CB 3.31Å; E84-S88 WeakPolarHBondContact O-CB 3.46Å; E84-S88 PolarHBondContact O-N 3.38Å; E84-S88 PolarHBondContact O-OG 2.87Å
85L80.9Confident72.8Confident82 Ų82100.1 Ų100.143%0.42950%0.498SS..Hα-helixtrans-65.5-42.7175.7-66.8177.5000111.4R80 D81 P82 Q83 F89R80-L85 HydrophobicContact CB-CD1 4.33Å; R80-L85 HydrophobicContact CB-CD2 3.83Å; R80-L85 HydrophobicContact CB-CG 3.94Å; R80-L85 HydrophobicContact CG-CD2 4.28Å; D81-L85 PolarHBondContact O-N 3.46Å; P82-L85 PolarHBondContact O-N 3.22Å; Q83-L85 VanDerWaalsContact C-N 3.34Å; L85-F89 WeakPolarHBondContact O-CB 3.46Å; L85-F89 PolarHBondContact O-N 3.26Å
86V81.3Confident74.4Confident71 Ų7199.8 Ų99.843%0.4349%0.491SS..Hα-helixtrans-63.2-46.5174.7173.70000110.6P82 Q83 S88 F89 S90 P166P82-V86 WeakPolarHBondContact O-CG2 3.18Å; P82-V86 PolarHBondContact O-N 3.44Å; P82-V86 VanDerWaalsContact O-N 3.15Å; Q83-V86 PolarHBondContact O-N 3.07Å; V86-S88 PolarHBondContact O-N 3.3Å; V86-F89 PolarHBondContact O-N 3.42Å; V86-S90 WeakPolarHBondContact O-CB 3.29Å; V86-S90 PolarHBondContact O-N 2.96Å; V86-S90 PolarHBondContact O-OG 3.15Å; V86-S90 VanDerWaalsContact O-OG 3.12Å; V86-P166 HydrophobicContact CG1-CB 4.41Å
87A82.4Confident75.9Confident14 Ų1496.1 Ų96.112%0.11648%0.479CS..Hα-helixtrans-58.9-47.6177.400000112.1Q83 E84 F89 S90 E91 P166Q83-A87 WeakPolarHBondContact O-CB 3.37Å; Q83-A87 PolarHBondContact O-N 2.84Å; E84-A87 PolarHBondContact O-N 3.4Å; A87-F89 VanDerWaalsContact C-N 3.33Å; A87-F89 PolarHBondContact O-N 3.47Å; A87-S90 PolarHBondContact O-N 3.27Å; A87-E91 WeakPolarHBondContact O-CB 3.29Å; A87-E91 PolarHBondContact O-N 3.38Å; A87-P166 HydrophobicContact CB-CB 3.81Å; A87-P166 HydrophobicContact CB-CG 4.46Å
88S80.6Confident77Confident67 Ų6798.8 Ų98.847%0.46949%0.492SS..Hα-helixtrans-61.3-40178.5-59.60000112.3E84 V86 R92E84-S88 VanDerWaalsContact O-CB 3.31Å; E84-S88 WeakPolarHBondContact O-CB 3.46Å; E84-S88 PolarHBondContact O-N 3.38Å; E84-S88 PolarHBondContact O-OG 2.87Å; V86-S88 PolarHBondContact O-N 3.3Å; S88-R92 WeakPolarHBondContact O-CB 3.3Å; S88-R92 PolarHBondContact O-N 3.08Å
89F81.9Confident78.3Confident136 Ų13697.3 Ų97.360%0.59649%0.489SS*.Hα-helixtrans-67.8-48.5176.1176.5-100.9000111.3L85 V86 A87 E91 R92 V93L85-F89 WeakPolarHBondContact O-CB 3.46Å; L85-F89 PolarHBondContact O-N 3.26Å; V86-F89 PolarHBondContact O-N 3.42Å; A87-F89 VanDerWaalsContact C-N 3.33Å; A87-F89 PolarHBondContact O-N 3.47Å; F89-E91 VanDerWaalsContact C-N 3.3Å; F89-E91 PolarHBondContact O-N 2.97Å; F89-R92 PolarHBondContact O-N 2.76Å; F89-V93 HydrophobicContact CD1-CG2 4.2Å; F89-V93 HydrophobicContact CD2-CG2 4.32Å; F89-V93 HydrophobicContact CE1-CG2 3.74Å; F89-V93 HydrophobicContact CE2-CG2 3.87Å; F89-V93 HydrophobicContact CG-CG2 4.47Å; F89-V93 HydrophobicContact CZ-CG2 3.57Å; F89-V93 WeakPolarHBondContact O-CG2 3.41Å; F89-V93 PolarHBondContact O-N 2.9Å
90S82.4Confident79.3Confident33 Ų3394.4 Ų94.423%0.23148%0.478CS..Hα-helixtrans-60.5-38.6177.4-66.30000112.1V86 A87 R94V86-S90 WeakPolarHBondContact O-CB 3.29Å; V86-S90 PolarHBondContact O-N 2.96Å; V86-S90 PolarHBondContact O-OG 3.15Å; V86-S90 VanDerWaalsContact O-OG 3.12Å; A87-S90 PolarHBondContact O-N 3.27Å; S90-R94 WeakPolarHBondContact O-CB 3.48Å; S90-R94 WeakPolarHBondContact O-CG 3.32Å; S90-R94 PolarHBondContact O-N 3.44Å; S90-R94 PolarHBondContact O-NE 2.76Å
91E82.9Confident80.1Confident101 Ų10193.4 Ų93.447%0.47248%0.481SS..Hα-helixtrans-63.3-47.5172.7-173.5176.5-169.300111.9A87 F89 V93 R94 N95A87-E91 WeakPolarHBondContact O-CB 3.29Å; A87-E91 PolarHBondContact O-N 3.38Å; F89-E91 VanDerWaalsContact C-N 3.3Å; F89-E91 PolarHBondContact O-N 2.97Å; E91-V93 VanDerWaalsContact C-N 3.35Å; E91-V93 PolarHBondContact O-N 3.07Å; E91-R94 PolarHBondContact O-N 3.24Å; E91-N95 PolarHBondContact O-N 2.98Å; E91-N95 VanDerWaalsContact O-N 3.12Å; E91-N95 PolarHBondContact O-ND2 3.41Å; E91-N95 VanDerWaalsContact O-ND2 3.14Å
92R82.6Confident80.1Confident188 Ų18897.8 Ų97.871%0.70950%0.496SS*.Hα-helixtrans-58.6-45.4176.2-178.6174.3-68.4-176.5-0.5112S88 F89 N95 M96S88-R92 WeakPolarHBondContact O-CB 3.3Å; S88-R92 PolarHBondContact O-N 3.08Å; F89-R92 PolarHBondContact O-N 2.76Å; R92-N95 PolarHBondContact O-N 3.15Å; R92-M96 WeakPolarHBondContact O-CG 3.47Å; R92-M96 PolarHBondContact O-N 3.41Å
93V81.4Confident80.2Confident52 Ų52101.2 Ų101.232%0.31551%0.509SS..Hα-helixtrans-65-39.8179.7173.60000111.5F89 E91 N95 M96 I101F89-V93 HydrophobicContact CD1-CG2 4.2Å; F89-V93 HydrophobicContact CD2-CG2 4.32Å; F89-V93 HydrophobicContact CE1-CG2 3.74Å; F89-V93 HydrophobicContact CE2-CG2 3.87Å; F89-V93 HydrophobicContact CG-CG2 4.47Å; F89-V93 HydrophobicContact CZ-CG2 3.57Å; F89-V93 WeakPolarHBondContact O-CG2 3.41Å; F89-V93 PolarHBondContact O-N 2.9Å; E91-V93 VanDerWaalsContact C-N 3.35Å; E91-V93 PolarHBondContact O-N 3.07Å; V93-N95 PolarHBondContact O-N 2.89Å; V93-M96 PolarHBondContact O-N 3Å; V93-I101 HydrophobicContact CG1-CD1 4.28Å
94R79.4Confident80.3Confident135 Ų135102.3 Ų102.351%0.50952%0.522SS..Hα-helixtrans-64-28.8176.5-75.7-178.5-64.7170.80.8113.3S90 E91 M169S90-R94 WeakPolarHBondContact O-CB 3.48Å; S90-R94 WeakPolarHBondContact O-CG 3.32Å; S90-R94 PolarHBondContact O-N 3.44Å; S90-R94 PolarHBondContact O-NE 2.76Å; E91-R94 PolarHBondContact O-N 3.24Å; R94-M169 PolarHBondContact NH1-SD 3.17Å; R94-M169 VanDerWaalsContact NH1-SD 3.44Å
95N82.7Confident80.1Confident124 Ų124102.8 Ų102.866%0.66354%0.535SS*.THydrogen-bonded Turntrans-89.8-3.9-178.2-64.6-24.5000113.5E91 R92 V93E91-N95 PolarHBondContact O-N 2.98Å; E91-N95 VanDerWaalsContact O-N 3.12Å; E91-N95 PolarHBondContact O-ND2 3.41Å; E91-N95 VanDerWaalsContact O-ND2 3.14Å; R92-N95 PolarHBondContact O-N 3.15Å; V93-N95 PolarHBondContact O-N 2.89Å
96M80.8Confident79.7Confident89 Ų89107.6 Ų107.644%0.43856%0.555SS.*SBendtrans-93.4151.4177.1-68-78.2-83.100110.6R92 V93 E100R92-M96 WeakPolarHBondContact O-CG 3.47Å; R92-M96 PolarHBondContact O-N 3.41Å; V93-M96 PolarHBondContact O-N 3Å; M96-E100 HydrophobicContact CE-CB 3.7Å
97S79.8Confident79.5Confident47 Ų47109.7 Ų109.733%0.32957%0.57SS.*  trans-72.4150.2172.265.40000110.7D99 E100S97-D99 PolarHBondContact O-N 3.29Å; S97-D99 VanDerWaalsContact O-N 3.07Å; S97-E100 PolarHBondContact N-OE2 3.39Å; S97-E100 VanDerWaalsContact N-OE2 3.12Å; S97-E100 PolarHBondContact O-N 3.03Å; S97-E100 VanDerWaalsContact OG-CG 3.26Å; S97-E100 WeakPolarHBondContact OG-CG 3.26Å; S97-E100 PolarHBondContact OG-OE2 2.87Å
98P76.3Confident78.8Confident108 Ų108115.6 Ų115.670%0.70161%0.608SS**G310 helixtrans-54.9-30.6-178.8-26.634.6000114.1E100 I101P98-E100 VanDerWaalsContact C-N 3.3Å; P98-E100 PolarHBondContact O-N 3.46Å; P98-I101 PolarHBondContact O-N 3.29Å
99D78.9Confident78.3Confident150 Ų150115.5 Ų115.580%0.80262%0.617SS**G310 helixtrans-75.5-17.7-179.3-62.9-29.9000113.3S97S97-D99 PolarHBondContact O-N 3.29Å; S97-D99 VanDerWaalsContact O-N 3.07Å
100E77.1Confident77.6Confident105 Ų105120.2 Ų120.249%0.49163%0.631SS.*G310 helixtrans-91.6-9.5177.3-67.7166.914800112.6M96 S97 P98 K102M96-E100 HydrophobicContact CE-CB 3.7Å; S97-E100 PolarHBondContact N-OE2 3.39Å; S97-E100 VanDerWaalsContact N-OE2 3.12Å; S97-E100 PolarHBondContact O-N 3.03Å; S97-E100 VanDerWaalsContact OG-CG 3.26Å; S97-E100 WeakPolarHBondContact OG-CG 3.26Å; S97-E100 PolarHBondContact OG-OE2 2.87Å; P98-E100 VanDerWaalsContact C-N 3.3Å; P98-E100 PolarHBondContact O-N 3.46Å; E100-K102 PolarHBondContact O-N 2.89Å; E100-K102 VanDerWaalsContact O-N 3.08Å
101I79.3Confident77.1Confident101 Ų101122.5 Ų122.552%0.51865%0.646SS.*  trans-75.699176.7-55.8176000108.7V93 P98V93-I101 HydrophobicContact CG1-CD1 4.28Å; P98-I101 PolarHBondContact O-N 3.29Å
102K79.4Confident77.2Confident173 Ų173121.3 Ų121.375%0.75265%0.649SS**  trans-106.1141.8174.9-65.6178.7-177173.20110.1E100E100-K102 PolarHBondContact O-N 2.89Å; E100-K102 VanDerWaalsContact O-N 3.08Å
103I80Confident77.4Confident159 Ų159117.8 Ų117.882%0.81564%0.644SS**PPolyproline II helixtrans-59.2127.8168.5-57.5176.1000106.8
104P76.5Confident77.7Confident104 Ų104121.5 Ų121.568%0.67566%0.658SS**PPolyproline II helixtrans-56.8144.7177.421-30.6000110.3
105P76.3Confident78.1Confident119 Ų119119.2 Ų119.277%0.77366%0.655SS**PPolyproline II helixtrans-59.8152.5176.627.7-34.7000110.1
106E72.6Confident78.3Confident183 Ų183117.1 Ų117.186%0.85564%0.642SS**PPolyproline II helixtrans-51.9131.4179.7-68-179.2-178.500110.2
107P75.8Confident78.8Confident115 Ų115117.6 Ų117.675%0.74765%0.646SS**PPolyproline II helixtrans-59.5130-177.522.8-32000109.4G109P107-G109 PolarHBondContact O-N 3.39Å
108P68.9Low79.3Confident138 Ų138120.7 Ų120.790%0.89665%0.653SS**SBendtrans-71.1103.5177.827.2-32.1000109.4
109G69.8Low80Confident65 Ų65120.4 Ų120.467%0.6765%0.645SS**SBendtrans172.2145176.300000112P107P107-G109 PolarHBondContact O-N 3.39Å
110R67.3Low80.5Confident235 Ų235118.2 Ų118.289%0.88763%0.63SS**PPolyproline II helixtrans-75.1130.7165.7-67-177.3-179.5-122.30.3107.3
111C72.1Confident81.1Confident82 Ų82119.9 Ų119.955%0.55464%0.636SS**PPolyproline II helixtrans-54.8155.1171.5-58.50000109.9N113 Q116C111-N113 PolarHBondContact O-N 3.14Å; C111-Q116 HydrophobicContact CB-CG 3.71Å; C111-Q116 PolarHBondContact O-NE2 3.18Å
112S84.3Confident81.4Confident75 Ų75118.6 Ų118.652%0.52463%0.629SS.*PPolyproline II helixtrans-57.1132.2178.173.50000110.7H114 L115 Q116S112-H114 VanDerWaalsContact C-N 3.26Å; S112-H114 PolarHBondContact O-N 3.41Å; S112-L115 PolarHBondContact O-N 3.35Å; S112-L115 WeakPolarHBondContact OG-CB 3.05Å; S112-Q116 PolarHBondContact O-N 3.12Å; S112-Q116 VanDerWaalsContact O-N 3.09Å
113N86.5Confident81.8Confident114 Ų114117.4 Ų117.461%0.6162%0.621SS**Hα-helixtrans-57.4-41.7-174.4-66.9-58.7000111.2C111 L115 Q116 D117C111-N113 PolarHBondContact O-N 3.14Å; N113-L115 VanDerWaalsContact C-N 3.29Å; N113-L115 PolarHBondContact O-N 3.27Å; N113-Q116 PolarHBondContact O-N 3.12Å; N113-D117 VanDerWaalsContact O-CG 3.26Å; N113-D117 PolarHBondContact O-N 3.27Å
114H87.5Confident82.2Confident130 Ų130113.2 Ų113.260%0.60260%0.598SS**Hα-helixtrans-57.6-37.5176.6-177.473.4000113.8S112 K118S112-H114 VanDerWaalsContact C-N 3.26Å; S112-H114 PolarHBondContact O-N 3.41Å; H114-K118 WeakPolarHBondContact NE2-CE 3.01Å; H114-K118 PolarHBondContact NE2-NZ 3.03Å; H114-K118 WeakPolarHBondContact O-CB 3.41Å; H114-K118 PolarHBondContact O-N 3.19Å; H114-K118 VanDerWaalsContact O-N 3.11Å
115L87.3Confident82.7Confident87 Ų87111.9 Ų111.946%0.45558%0.579SS.*Hα-helixtrans-77.2-38.3-179.8-168.4130.9000111.3S112 N113 K118 I119S112-L115 PolarHBondContact O-N 3.35Å; S112-L115 WeakPolarHBondContact OG-CB 3.05Å; N113-L115 VanDerWaalsContact C-N 3.29Å; N113-L115 PolarHBondContact O-N 3.27Å; L115-K118 PolarHBondContact O-N 3.44Å; L115-I119 HydrophobicContact CD2-CD1 3.57Å; L115-I119 HydrophobicContact CD2-CG1 4.5Å; L115-I119 HydrophobicContact CG-CD1 4.33Å; L115-I119 VanDerWaalsContact O-CG1 3.3Å; L115-I119 WeakPolarHBondContact O-CG1 3.39Å; L115-I119 PolarHBondContact O-N 3.12Å
116Q88.4Confident83.2Confident81 Ų81111.5 Ų111.538%0.37957%0.566SS.*Hα-helixtrans-59.7-47.5172.5-66.4-173.653.700111.2C111 S112 N113 K118 I119 Q120C111-Q116 HydrophobicContact CB-CG 3.71Å; C111-Q116 PolarHBondContact O-NE2 3.18Å; S112-Q116 PolarHBondContact O-N 3.12Å; S112-Q116 VanDerWaalsContact O-N 3.09Å; N113-Q116 PolarHBondContact O-N 3.12Å; Q116-K118 VanDerWaalsContact C-N 3.32Å; Q116-K118 PolarHBondContact O-N 2.93Å; Q116-I119 PolarHBondContact O-N 3.3Å; Q116-Q120 WeakPolarHBondContact O-CB 3.31Å; Q116-Q120 PolarHBondContact O-N 3.35Å
117D90.8Very high83.8Confident99 Ų99108 Ų10853%0.52955%0.552SS.*Hα-helixtrans-62.4-39.3178.3-67-25.9000111.9N113 Q120 K121N113-D117 VanDerWaalsContact O-CG 3.26Å; N113-D117 PolarHBondContact O-N 3.27Å; D117-Q120 PolarHBondContact O-N 3.07Å; D117-K121 WeakPolarHBondContact O-CB 3.36Å; D117-K121 PolarHBondContact O-N 3.28Å
118K90.8Very high84.2Confident112 Ų112110 Ų11049%0.48755%0.549SS..Hα-helixtrans-63.5-46.5176.4-172.7176-63.2174.70111.6H114 L115 Q116 K121 L122H114-K118 WeakPolarHBondContact NE2-CE 3.01Å; H114-K118 PolarHBondContact NE2-NZ 3.03Å; H114-K118 WeakPolarHBondContact O-CB 3.41Å; H114-K118 PolarHBondContact O-N 3.19Å; H114-K118 VanDerWaalsContact O-N 3.11Å; L115-K118 PolarHBondContact O-N 3.44Å; Q116-K118 VanDerWaalsContact C-N 3.32Å; Q116-K118 PolarHBondContact O-N 2.93Å; K118-K121 PolarHBondContact O-N 3.32Å; K118-L122 HydrophobicContact CG-CD1 4.45Å; K118-L122 VanDerWaalsContact O-CG 3.29Å; K118-L122 WeakPolarHBondContact O-CG 3.31Å; K118-L122 PolarHBondContact O-N 3.1Å
119I90.6Very high84.6Confident101 Ų101108.9 Ų108.952%0.51853%0.531SS..Hα-helixtrans-63.3-46.8177.1-68.7169.5000110L115 Q116 K121 L122 Y123L115-I119 HydrophobicContact CD2-CD1 3.57Å; L115-I119 HydrophobicContact CD2-CG1 4.5Å; L115-I119 HydrophobicContact CG-CD1 4.33Å; L115-I119 VanDerWaalsContact O-CG1 3.3Å; L115-I119 WeakPolarHBondContact O-CG1 3.39Å; L115-I119 PolarHBondContact O-N 3.12Å; Q116-I119 PolarHBondContact O-N 3.3Å; I119-K121 PolarHBondContact O-N 2.91Å; I119-L122 PolarHBondContact O-N 2.91Å; I119-Y123 WeakPolarHBondContact O-CB 3.44Å; I119-Y123 PolarHBondContact O-N 3.08Å
120Q90.3Very high85Confident105 Ų105108.4 Ų108.449%0.49153%0.526SS..Hα-helixtrans-59.5-47.1178.2-179172.4-8.800111.2Q116 D117 L122 Y123 E124Q116-Q120 WeakPolarHBondContact O-CB 3.31Å; Q116-Q120 PolarHBondContact O-N 3.35Å; D117-Q120 PolarHBondContact O-N 3.07Å; Q120-L122 VanDerWaalsContact C-N 3.3Å; Q120-L122 PolarHBondContact O-N 2.83Å; Q120-Y123 PolarHBondContact O-N 3.28Å; Q120-Y123 VanDerWaalsContact O-N 3.15Å; Q120-E124 HydrophobicContact CG-CG 4.46Å; Q120-E124 PolarHBondContact NE2-OE1 3.3Å; Q120-E124 VanDerWaalsContact NE2-OE1 3.13Å; Q120-E124 WeakPolarHBondContact O-CG 3.41Å; Q120-E124 PolarHBondContact O-N 2.91Å
121K89.6Confident85.1Confident140 Ų140101.2 Ų101.261%0.60950%0.504SS*.Hα-helixtrans-60.4-37.6177.6-170.1-178.6-179.3172.50112.4D117 K118 I119 R125D117-K121 WeakPolarHBondContact O-CB 3.36Å; D117-K121 PolarHBondContact O-N 3.28Å; K118-K121 PolarHBondContact O-N 3.32Å; I119-K121 PolarHBondContact O-N 2.91Å; K121-R125 WeakPolarHBondContact O-CB 3.41Å; K121-R125 PolarHBondContact O-N 3Å
122L85.6Confident85.6Confident73 Ų73100.1 Ų100.138%0.38249%0.493SS..Hα-helixtrans-70.2-40.4175.4-73.1171.8000111.8K118 I119 Q120 R125 K126 M133K118-L122 HydrophobicContact CG-CD1 4.45Å; K118-L122 VanDerWaalsContact O-CG 3.29Å; K118-L122 WeakPolarHBondContact O-CG 3.31Å; K118-L122 PolarHBondContact O-N 3.1Å; I119-L122 PolarHBondContact O-N 2.91Å; Q120-L122 VanDerWaalsContact C-N 3.3Å; Q120-L122 PolarHBondContact O-N 2.83Å; L122-R125 PolarHBondContact O-N 3.25Å; L122-K126 PolarHBondContact O-N 3.4Å; L122-M133 HydrophobicContact CD2-CE 3.96Å
123Y86.6Confident85.5Confident148 Ų148101.2 Ų101.258%0.5849%0.491SS*.Hα-helixtrans-65.4-45.9178.4-174.8-102.5000112I119 Q120 R125 K126 I127I119-Y123 WeakPolarHBondContact O-CB 3.44Å; I119-Y123 PolarHBondContact O-N 3.08Å; Q120-Y123 PolarHBondContact O-N 3.28Å; Q120-Y123 VanDerWaalsContact O-N 3.15Å; Y123-R125 VanDerWaalsContact C-N 3.3Å; Y123-R125 PolarHBondContact O-N 2.84Å; Y123-K126 WeakPolarHBondContact O-CB 3.44Å; Y123-K126 PolarHBondContact O-N 2.6Å; Y123-I127 HydrophobicContact CD1-CD1 3.78Å; Y123-I127 HydrophobicContact CE1-CD1 3.21Å; Y123-I127 HydrophobicContact CE1-CG1 4.37Å; Y123-I127 HydrophobicContact CE2-CD1 4.25Å; Y123-I127 HydrophobicContact CG-CD1 4.49Å; Y123-I127 VanDerWaalsContact CZ-CD1 3.49Å; Y123-I127 WeakPolarHBondContact O-CG1 3.37Å; Y123-I127 PolarHBondContact O-N 3.21Å; Y123-I127 VanDerWaalsContact O-N 3.07Å
124E89.4Confident85.5Confident71 Ų71100.2 Ų100.233%0.33249%0.485SS..Hα-helixtrans-60.9-40.2175.2-73.5-173.3-153.800112.1Q120 I127 K128Q120-E124 HydrophobicContact CG-CG 4.46Å; Q120-E124 PolarHBondContact NE2-OE1 3.3Å; Q120-E124 VanDerWaalsContact NE2-OE1 3.13Å; Q120-E124 WeakPolarHBondContact O-CG 3.41Å; Q120-E124 PolarHBondContact O-N 2.91Å; E124-I127 PolarHBondContact O-N 3.1Å; E124-K128 VanDerWaalsContact O-CB 3.29Å; E124-K128 WeakPolarHBondContact O-CB 3.21Å; E124-K128 VanDerWaalsContact O-CG 3.32Å; E124-K128 WeakPolarHBondContact O-CG 3.02Å; E124-K128 PolarHBondContact O-N 3.35Å; E124-K128 IonicContact OE2-NZ 3.28Å; E124-K128 PolarHBondContact OE2-NZ 2.97Å
125R85.3Confident85.4Confident76 Ų7699.1 Ų99.129%0.28748%0.477SS..Hα-helixtrans-64.9-42.3176.9-160.1179.2-45.1148.517.4112.1K121 L122 Y123 I127 E129 M131K121-R125 WeakPolarHBondContact O-CB 3.41Å; K121-R125 PolarHBondContact O-N 3Å; L122-R125 PolarHBondContact O-N 3.25Å; Y123-R125 VanDerWaalsContact C-N 3.3Å; Y123-R125 PolarHBondContact O-N 2.84Å; R125-I127 VanDerWaalsContact C-N 3.28Å; R125-I127 PolarHBondContact O-N 3.16Å; R125-E129 WeakPolarHBondContact CD-OE2 3.17Å; R125-E129 HydrophobicContact CG-CB 4.37Å; R125-E129 HydrophobicContact CG-CG 4.23Å; R125-E129 WeakPolarHBondContact CG-OE2 3.2Å; R125-E129 WeakPolarHBondContact O-CB 3.4Å; R125-E129 PolarHBondContact O-N 2.95Å; R125-M131 HydrophobicContact CG-SD 4.35Å
126K87.3Confident85.4Confident111 Ų11197.6 Ų97.648%0.48347%0.468SS..Hα-helixtrans-57.4-42.7174.1178.6179.3177.6174.90111.5L122 Y123 G130L122-K126 PolarHBondContact O-N 3.4Å; Y123-K126 WeakPolarHBondContact O-CB 3.44Å; Y123-K126 PolarHBondContact O-N 2.6Å; K126-G130 VanDerWaalsContact O-CA 3.31Å; K126-G130 WeakPolarHBondContact O-CA 3.31Å; K126-G130 PolarHBondContact O-N 3.42Å
127I85.6Confident85.3Confident111 Ų11197.5 Ų97.557%0.56947%0.47SS*.Hα-helixtrans-74.8-45.8-179-67.2176.4000112.1Y123 E124 R125Y123-I127 HydrophobicContact CD1-CD1 3.78Å; Y123-I127 HydrophobicContact CE1-CD1 3.21Å; Y123-I127 HydrophobicContact CE1-CG1 4.37Å; Y123-I127 HydrophobicContact CE2-CD1 4.25Å; Y123-I127 HydrophobicContact CG-CD1 4.49Å; Y123-I127 VanDerWaalsContact CZ-CD1 3.49Å; Y123-I127 WeakPolarHBondContact O-CG1 3.37Å; Y123-I127 PolarHBondContact O-N 3.21Å; Y123-I127 VanDerWaalsContact O-N 3.07Å; E124-I127 PolarHBondContact O-N 3.1Å; R125-I127 VanDerWaalsContact C-N 3.28Å; R125-I127 PolarHBondContact O-N 3.16Å
128K84.7Confident85.1Confident156 Ų15698.1 Ų98.168%0.67847%0.469SS*.Hα-helixtrans-77.5-43.7-173.4-70.8170.3179.11660112.9E124E124-K128 VanDerWaalsContact O-CB 3.29Å; E124-K128 WeakPolarHBondContact O-CB 3.21Å; E124-K128 VanDerWaalsContact O-CG 3.32Å; E124-K128 WeakPolarHBondContact O-CG 3.02Å; E124-K128 PolarHBondContact O-N 3.35Å; E124-K128 IonicContact OE2-NZ 3.28Å; E124-K128 PolarHBondContact OE2-NZ 2.97Å
129E77.6Confident84.9Confident114 Ų114100.4 Ų100.453%0.53348%0.475SS..Hα-helixtrans-101.8-6.1-172.4-61.5170.6-165.200112.5R125 M131R125-E129 WeakPolarHBondContact CD-OE2 3.17Å; R125-E129 HydrophobicContact CG-CB 4.37Å; R125-E129 HydrophobicContact CG-CG 4.23Å; R125-E129 WeakPolarHBondContact CG-OE2 3.2Å; R125-E129 WeakPolarHBondContact O-CB 3.4Å; R125-E129 PolarHBondContact O-N 2.95Å; E129-M131 HydrophobicContact CB-CE 4.36Å; E129-M131 HydrophobicContact CB-CG 3.95Å; E129-M131 PolarHBondContact O-N 3.28Å; E129-M131 WeakPolarHBondContact OE2-CE 3.37Å; E129-M131 VanDerWaalsContact OE2-SD 3.33Å
130G76.6Confident84.8Confident55 Ų55100.5 Ų100.557%0.56747%0.472SS*.  trans6416.9-174.400000113.4K126 D132K126-G130 VanDerWaalsContact O-CA 3.31Å; K126-G130 WeakPolarHBondContact O-CA 3.31Å; K126-G130 PolarHBondContact O-N 3.42Å; G130-D132 VanDerWaalsContact C-N 3.3Å; G130-D132 PolarHBondContact O-N 3.4Å
131M71.2Confident84.7Confident85 Ų85102.7 Ų102.742%0.41948%0.48SS..  trans-73.883177.5-72.8-167-167.500110.2R125 E129 I136R125-M131 HydrophobicContact CG-SD 4.35Å; E129-M131 HydrophobicContact CB-CE 4.36Å; E129-M131 HydrophobicContact CB-CG 3.95Å; E129-M131 PolarHBondContact O-N 3.28Å; E129-M131 WeakPolarHBondContact OE2-CE 3.37Å; E129-M131 VanDerWaalsContact OE2-SD 3.33Å; M131-I136 HydrophobicContact CB-CD1 4.13Å; M131-I136 HydrophobicContact CG-CD1 4.44Å
132D82.5Confident84.4Confident58 Ų58100.8 Ų100.831%0.3147%0.473SS..  trans-79.8118.3168.2-178.113.5000109.9G130 N134 Y135 I136G130-D132 VanDerWaalsContact C-N 3.3Å; G130-D132 PolarHBondContact O-N 3.4Å; D132-N134 VanDerWaalsContact C-N 3.26Å; D132-N134 PolarHBondContact O-N 3.07Å; D132-N134 PolarHBondContact OD1-N 2.92Å; D132-Y135 VanDerWaalsContact O-CB 3.31Å; D132-Y135 WeakPolarHBondContact O-CB 3.07Å; D132-Y135 PolarHBondContact O-N 3.46Å; D132-Y135 VanDerWaalsContact O-N 3.08Å; D132-I136 WeakPolarHBondContact O-CG1 3.42Å; D132-I136 PolarHBondContact O-N 3.05Å
133M81.8Confident84.4Confident99 Ų99101.2 Ų101.249%0.48847%0.472SS..Hα-helixtrans-58.6-39.1179.8-67.7-62.9174.100111.7L122 Y135 I136 I137L122-M133 HydrophobicContact CD2-CE 3.96Å; M133-Y135 VanDerWaalsContact C-N 3.3Å; M133-Y135 PolarHBondContact O-N 3.21Å; M133-I136 PolarHBondContact O-N 3.11Å; M133-I136 HydrophobicContact SD-CD1 4.35Å; M133-I137 WeakPolarHBondContact O-CD1 3.21Å; M133-I137 VanDerWaalsContact O-CG1 3.23Å; M133-I137 WeakPolarHBondContact O-CG1 3.2Å; M133-I137 PolarHBondContact O-N 2.66Å
134N86.2Confident84.4Confident92 Ų92102.2 Ų102.249%0.49247%0.474SS..Hα-helixtrans-62.4-41.4176.9-17529.6000111D132 I137 Q138D132-N134 VanDerWaalsContact C-N 3.26Å; D132-N134 PolarHBondContact O-N 3.07Å; D132-N134 PolarHBondContact OD1-N 2.92Å; N134-I137 PolarHBondContact O-N 2.82Å; N134-Q138 VanDerWaalsContact CG-NE2 3.27Å; N134-Q138 PolarHBondContact ND2-NE2 3.17Å; N134-Q138 VanDerWaalsContact ND2-NE2 3.2Å; N134-Q138 VanDerWaalsContact O-CG 3.31Å; N134-Q138 WeakPolarHBondContact O-CG 3.21Å; N134-Q138 PolarHBondContact O-N 3.2Å; N134-Q138 PolarHBondContact OD1-NE2 3.44Å
135Y86.1Confident84.4Confident107 Ų107103 Ų10342%0.4248%0.481SS..Hα-helixtrans-65.5-40.8177.1-169-115.1000113.1D132 M133 Q138 R139D132-Y135 VanDerWaalsContact O-CB 3.31Å; D132-Y135 WeakPolarHBondContact O-CB 3.07Å; D132-Y135 PolarHBondContact O-N 3.46Å; D132-Y135 VanDerWaalsContact O-N 3.08Å; M133-Y135 VanDerWaalsContact C-N 3.3Å; M133-Y135 PolarHBondContact O-N 3.21Å; Y135-Q138 PolarHBondContact O-N 3.14Å; Y135-R139 HydrophobicContact CE1-CG 4.43Å; Y135-R139 WeakPolarHBondContact O-CB 3.34Å; Y135-R139 PolarHBondContact O-N 2.96Å; Y135-R139 VanDerWaalsContact O-N 3.07Å; Y135-R139 PolarHBondContact OH-NE 3.41Å; Y135-R139 VanDerWaalsContact OH-NE 3.11Å; Y135-R139 PolarHBondContact OH-NH2 3.21Å
136I86.6Confident84.5Confident55 Ų55103.8 Ų103.828%0.28250%0.496SS..Hα-helixtrans-64.1-44.1176.8-67.2166.1000110.3M131 D132 M133 R139 K140M131-I136 HydrophobicContact CB-CD1 4.13Å; M131-I136 HydrophobicContact CG-CD1 4.44Å; D132-I136 WeakPolarHBondContact O-CG1 3.42Å; D132-I136 PolarHBondContact O-N 3.05Å; M133-I136 PolarHBondContact O-N 3.11Å; M133-I136 HydrophobicContact SD-CD1 4.35Å; I136-R139 PolarHBondContact O-N 3.44Å; I136-K140 HydrophobicContact CG2-CD 4.35Å; I136-K140 WeakPolarHBondContact O-CG 3.42Å; I136-K140 PolarHBondContact O-N 3.44Å; I136-K140 VanDerWaalsContact O-N 3.16Å
137I86.9Confident84.5Confident80 Ų80101.3 Ų101.341%0.4149%0.493SS..Hα-helixtrans-60.9-47178.1-68.5163.7000110.5M133 N134 R139 K140 F143M133-I137 WeakPolarHBondContact O-CD1 3.21Å; M133-I137 VanDerWaalsContact O-CG1 3.23Å; M133-I137 WeakPolarHBondContact O-CG1 3.2Å; M133-I137 PolarHBondContact O-N 2.66Å; N134-I137 PolarHBondContact O-N 2.82Å; I137-R139 VanDerWaalsContact C-N 3.33Å; I137-R139 PolarHBondContact O-N 3.32Å; I137-K140 PolarHBondContact O-N 3.06Å; I137-F143 HydrophobicContact CG2-CB 4.19Å; I137-F143 HydrophobicContact CG2-CD1 3.93Å; I137-F143 HydrophobicContact CG2-CE1 4.46Å; I137-F143 HydrophobicContact CG2-CG 3.97Å; I137-F143 WeakPolarHBondContact O-CB 3.45Å
138Q86.3Confident84.7Confident112 Ų11297.4 Ų97.452%0.52347%0.473SS..Hα-helixtrans-66.3-31.2179.9-69.4174.233.500114N134 Y135N134-Q138 VanDerWaalsContact CG-NE2 3.27Å; N134-Q138 PolarHBondContact ND2-NE2 3.17Å; N134-Q138 VanDerWaalsContact ND2-NE2 3.2Å; N134-Q138 VanDerWaalsContact O-CG 3.31Å; N134-Q138 WeakPolarHBondContact O-CG 3.21Å; N134-Q138 PolarHBondContact O-N 3.2Å; N134-Q138 PolarHBondContact OD1-NE2 3.44Å; Y135-Q138 PolarHBondContact O-N 3.14Å
139R86Confident84.9Confident159 Ų15997.1 Ų97.160%0.647%0.468SS*.Hα-helixtrans-77-31.2179.1-83.4-173164.1-174.5-2113.4Y135 I136 I137 K141 R144Y135-R139 HydrophobicContact CE1-CG 4.43Å; Y135-R139 WeakPolarHBondContact O-CB 3.34Å; Y135-R139 PolarHBondContact O-N 2.96Å; Y135-R139 VanDerWaalsContact O-N 3.07Å; Y135-R139 PolarHBondContact OH-NE 3.41Å; Y135-R139 VanDerWaalsContact OH-NE 3.11Å; Y135-R139 PolarHBondContact OH-NH2 3.21Å; I136-R139 PolarHBondContact O-N 3.44Å; I137-R139 VanDerWaalsContact C-N 3.33Å; I137-R139 PolarHBondContact O-N 3.32Å; R139-K141 PolarHBondContact O-N 3.4Å; R139-R144 PolarHBondContact O-NH2 2.85Å
140K89Confident85.4Confident103 Ų10397.7 Ų97.745%0.44847%0.471SS..  trans-66.1130.8179.6-78.4-179.4177-173.20110.4I136 I137 E142 F143I136-K140 HydrophobicContact CG2-CD 4.35Å; I136-K140 WeakPolarHBondContact O-CG 3.42Å; I136-K140 PolarHBondContact O-N 3.44Å; I136-K140 VanDerWaalsContact O-N 3.16Å; I137-K140 PolarHBondContact O-N 3.06Å; K140-E142 VanDerWaalsContact C-N 3.25Å; K140-E142 PolarHBondContact O-N 2.98Å; K140-F143 HydrophobicContact CB-CD2 3.65Å; K140-F143 HydrophobicContact CB-CE2 4.3Å; K140-F143 HydrophobicContact CD-CD2 4Å; K140-F143 HydrophobicContact CD-CE2 3.77Å; K140-F143 HydrophobicContact CG-CD2 4.48Å; K140-F143 PolarHBondContact O-N 2.8Å
141K87.3Confident86Confident152 Ų152101.9 Ų101.966%0.66147%0.474SS*.G310 helixtrans-70.2-27.3-177.463.8179.6-178.7177.70111.7R139 F143 R144R139-K141 PolarHBondContact O-N 3.4Å; K141-F143 PolarHBondContact O-N 3.08Å; K141-R144 WeakPolarHBondContact O-CB 3.4Å; K141-R144 PolarHBondContact O-N 3.02Å; K141-R144 VanDerWaalsContact O-N 3.14Å
142E84.3Confident86.9Confident100 Ų100100.6 Ų100.647%0.46747%0.468SS..G310 helixtrans-66.1-26.6-179.5-62.470.1-149.800112.1K140 I148K140-E142 VanDerWaalsContact C-N 3.25Å; K140-E142 PolarHBondContact O-N 2.98Å; E142-I148 WeakPolarHBondContact O-CB 3.23Å
143F84.8Confident87.2Confident81 Ų8199.8 Ų99.836%0.35546%0.464SS..G310 helixtrans-91.9-2.3177.5-69-89.4000113.4I137 K140 K141 I148 L152I137-F143 HydrophobicContact CG2-CB 4.19Å; I137-F143 HydrophobicContact CG2-CD1 3.93Å; I137-F143 HydrophobicContact CG2-CE1 4.46Å; I137-F143 HydrophobicContact CG2-CG 3.97Å; I137-F143 WeakPolarHBondContact O-CB 3.45Å; K140-F143 HydrophobicContact CB-CD2 3.65Å; K140-F143 HydrophobicContact CB-CE2 4.3Å; K140-F143 HydrophobicContact CD-CD2 4Å; K140-F143 HydrophobicContact CD-CE2 3.77Å; K140-F143 HydrophobicContact CG-CD2 4.48Å; K140-F143 PolarHBondContact O-N 2.8Å; K141-F143 PolarHBondContact O-N 3.08Å; F143-I148 HydrophobicContact CD1-CG1 4.36Å; F143-L152 HydrophobicContact CE1-CD2 4.4Å
144R86.6Confident87.6Confident169 Ų169102.1 Ų102.164%0.63847%0.473SS*.THydrogen-bonded Turntrans-85-24.3176.6-67-176.3-176.6148.73.1113R139 K141R139-R144 PolarHBondContact O-NH2 2.85Å; K141-R144 WeakPolarHBondContact O-CB 3.4Å; K141-R144 PolarHBondContact O-N 3.02Å; K141-R144 VanDerWaalsContact O-N 3.14Å
145N89.1Confident87.7Confident87 Ų87106.2 Ų106.247%0.46549%0.487SS..SBendtrans-84121.8178.4-171.2-18.2000109.1S147 I148N145-S147 PolarHBondContact ND2-OG 3.41Å; N145-S147 PolarHBondContact O-N 3.3Å; N145-S147 PolarHBondContact OD1-N 3.41Å; N145-S147 PolarHBondContact OD1-OG 3.41Å; N145-S147 VanDerWaalsContact OD1-OG 3.13Å; N145-I148 WeakPolarHBondContact O-CB 3.31Å; N145-I148 WeakPolarHBondContact O-CG2 3.23Å; N145-I148 PolarHBondContact O-N 3.48Å
146P86.9Confident87.8Confident93 Ų93104.6 Ų104.660%0.60449%0.49SS*.THydrogen-bonded Turntrans-58.1-17.9176.923.4-34000114I148 Y149P146-I148 PolarHBondContact O-N 3.27Å; P146-I148 VanDerWaalsContact O-N 3.15Å; P146-Y149 HydrophobicContact CB-CD2 4.44Å; P146-Y149 HydrophobicContact CB-CE2 4.45Å; P146-Y149 WeakPolarHBondContact O-CD2 3.18Å; P146-Y149 PolarHBondContact O-N 2.94Å
147S88.2Confident87.8Confident60 Ų60106.2 Ų106.242%0.4251%0.512SS..THydrogen-bonded Turntrans-65.8-10.9172.969.50000114.3N145 Y149N145-S147 PolarHBondContact ND2-OG 3.41Å; N145-S147 PolarHBondContact O-N 3.3Å; N145-S147 PolarHBondContact OD1-N 3.41Å; N145-S147 PolarHBondContact OD1-OG 3.41Å; N145-S147 VanDerWaalsContact OD1-OG 3.13Å; S147-Y149 PolarHBondContact O-N 3.28Å
148I90.4Very high87.8Confident28 Ų28107.1 Ų107.114%0.14452%0.517CS..Hα-helixtrans-65.3-26.1174.1-164.457.6000112.4E142 F143 N145 P146 E150 K151 L152E142-I148 WeakPolarHBondContact O-CB 3.23Å; F143-I148 HydrophobicContact CD1-CG1 4.36Å; N145-I148 WeakPolarHBondContact O-CB 3.31Å; N145-I148 WeakPolarHBondContact O-CG2 3.23Å; N145-I148 PolarHBondContact O-N 3.48Å; P146-I148 PolarHBondContact O-N 3.27Å; P146-I148 VanDerWaalsContact O-N 3.15Å; I148-E150 VanDerWaalsContact C-N 3.32Å; I148-E150 PolarHBondContact O-N 3.42Å; I148-K151 HydrophobicContact CD1-CB 4.46Å; I148-K151 HydrophobicContact CD1-CD 4.31Å; I148-K151 PolarHBondContact O-N 3.28Å; I148-K151 VanDerWaalsContact O-N 3.16Å; I148-L152 HydrophobicContact CG1-CD1 4.22Å; I148-L152 HydrophobicContact CG1-CG 4.24Å; I148-L152 HydrophobicContact CG2-CD1 4.28Å; I148-L152 WeakPolarHBondContact O-CG 3.41Å; I148-L152 PolarHBondContact O-N 3.12Å
149Y87.4Confident87.7Confident150 Ų150105.8 Ų105.859%0.58851%0.513SS*.Hα-helixtrans-61.7-39-177.5-68.9-56.3000112.2P146 S147 K151 L152 I153P146-Y149 HydrophobicContact CB-CD2 4.44Å; P146-Y149 HydrophobicContact CB-CE2 4.45Å; P146-Y149 WeakPolarHBondContact O-CD2 3.18Å; P146-Y149 PolarHBondContact O-N 2.94Å; S147-Y149 PolarHBondContact O-N 3.28Å; Y149-K151 VanDerWaalsContact C-N 3.28Å; Y149-K151 PolarHBondContact O-N 3.45Å; Y149-L152 HydrophobicContact CD1-CD1 4.24Å; Y149-L152 PolarHBondContact O-N 3.38Å; Y149-L152 VanDerWaalsContact O-N 3.08Å; Y149-I153 WeakPolarHBondContact O-CB 3.5Å; Y149-I153 WeakPolarHBondContact O-CD1 3.39Å; Y149-I153 WeakPolarHBondContact O-CG1 3.39Å; Y149-I153 PolarHBondContact O-N 2.99Å
150E88.7Confident87.4Confident127 Ų127105.2 Ų105.259%0.59352%0.517SS*.Hα-helixtrans-55.9-44175.8-66.7176.4-174.300111.5I148 Q154I148-E150 VanDerWaalsContact C-N 3.32Å; I148-E150 PolarHBondContact O-N 3.42Å; E150-Q154 WeakPolarHBondContact O-CB 3.47Å; E150-Q154 VanDerWaalsContact O-CG 3.23Å; E150-Q154 WeakPolarHBondContact O-CG 3.47Å; E150-Q154 PolarHBondContact O-N 2.99Å
151K90.3Very high86.9Confident142 Ų142105.5 Ų105.562%0.61752%0.523SS*.Hα-helixtrans-69.5-36.7177.6-63.3-176.3-179.4-179.10112.2I148 Y149 F155I148-K151 HydrophobicContact CD1-CB 4.46Å; I148-K151 HydrophobicContact CD1-CD 4.31Å; I148-K151 PolarHBondContact O-N 3.28Å; I148-K151 VanDerWaalsContact O-N 3.16Å; Y149-K151 VanDerWaalsContact C-N 3.28Å; Y149-K151 PolarHBondContact O-N 3.45Å; K151-F155 WeakPolarHBondContact O-CB 3.4Å; K151-F155 PolarHBondContact O-N 3.33Å
152L89.4Confident86.4Confident58 Ų58100.2 Ų100.230%0.30451%0.512SS..Hα-helixtrans-69.8-39.6178.2-67.8173.9000111.7F143 I148 Y149 F155 C156F143-L152 HydrophobicContact CE1-CD2 4.4Å; I148-L152 HydrophobicContact CG1-CD1 4.22Å; I148-L152 HydrophobicContact CG1-CG 4.24Å; I148-L152 HydrophobicContact CG2-CD1 4.28Å; I148-L152 WeakPolarHBondContact O-CG 3.41Å; I148-L152 PolarHBondContact O-N 3.12Å; Y149-L152 HydrophobicContact CD1-CD1 4.24Å; Y149-L152 PolarHBondContact O-N 3.38Å; Y149-L152 VanDerWaalsContact O-N 3.08Å; L152-F155 PolarHBondContact O-N 2.95Å; L152-C156 WeakPolarHBondContact O-CB 3.31Å; L152-C156 PolarHBondContact O-N 3.16Å; L152-C156 PolarHBondContact O-SG 3.36Å; L152-C156 VanDerWaalsContact O-SG 3.4Å
153I89.3Confident86.2Confident42 Ų4298 Ų9822%0.21551%0.505CS..Hα-helixtrans-60.9-48.1174.6-69.9160.9000109.3Y149 A157 I158 E160Y149-I153 WeakPolarHBondContact O-CB 3.5Å; Y149-I153 WeakPolarHBondContact O-CD1 3.39Å; Y149-I153 WeakPolarHBondContact O-CG1 3.39Å; Y149-I153 PolarHBondContact O-N 2.99Å; I153-A157 WeakPolarHBondContact O-CA 2.94Å; I153-A157 PolarHBondContact O-N 3.26Å; I153-I158 HydrophobicContact CG2-CB 4.29Å; I153-I158 VanDerWaalsContact CG2-O 3.31Å; I153-I158 WeakPolarHBondContact CG2-O 3.19Å; I153-I158 PolarHBondContact O-N 3.17Å; I153-E160 HydrophobicContact CD1-CG 4.13Å; I153-E160 HydrophobicContact CG2-CG 3.67Å
154Q88.7Confident86Confident148 Ų148101.7 Ų101.769%0.69253%0.529SS*.Hα-helixtrans-61.7-46.4175.5-70.6168.716.400112.5E150 A157E150-Q154 WeakPolarHBondContact O-CB 3.47Å; E150-Q154 VanDerWaalsContact O-CG 3.23Å; E150-Q154 WeakPolarHBondContact O-CG 3.47Å; E150-Q154 PolarHBondContact O-N 2.99Å; Q154-A157 PolarHBondContact O-N 3.01Å
155F89.9Confident85.6Confident178 Ų178100.5 Ų100.578%0.78153%0.525SS*.Hα-helixtrans-66.4-39.7-178.8177.9-99.3000112.7K151 L152 A157K151-F155 WeakPolarHBondContact O-CB 3.4Å; K151-F155 PolarHBondContact O-N 3.33Å; L152-F155 PolarHBondContact O-N 2.95Å; F155-A157 VanDerWaalsContact C-N 3.29Å
156C88Confident85.1Confident72 Ų7296.7 Ų96.749%0.48651%0.505SS..THydrogen-bonded Turntrans-86.50.6178.8-65.50000113L152 I158L152-C156 WeakPolarHBondContact O-CB 3.31Å; L152-C156 PolarHBondContact O-N 3.16Å; L152-C156 PolarHBondContact O-SG 3.36Å; L152-C156 VanDerWaalsContact O-SG 3.4Å; C156-I158 HydrophobicContact CB-CD1 3.64Å; C156-I158 HydrophobicContact CB-CG1 3.64Å; C156-I158 PolarHBondContact O-N 3.38Å
157A86Confident84.7Confident90 Ų9098.3 Ų98.374%0.74450%0.503SS*.THydrogen-bonded Turntrans47.745.4-175.200000112.6I153 Q154 F155I153-A157 WeakPolarHBondContact O-CA 2.94Å; I153-A157 PolarHBondContact O-N 3.26Å; Q154-A157 PolarHBondContact O-N 3.01Å; F155-A157 VanDerWaalsContact C-N 3.29Å
158I86.7Confident84Confident99 Ų99100.5 Ų100.551%0.50851%0.51SS..  trans-83.1130.4-179.6-62.7170.3000108.5I153 C156 E160I153-I158 HydrophobicContact CG2-CB 4.29Å; I153-I158 VanDerWaalsContact CG2-O 3.31Å; I153-I158 WeakPolarHBondContact CG2-O 3.19Å; I153-I158 PolarHBondContact O-N 3.17Å; C156-I158 HydrophobicContact CB-CD1 3.64Å; C156-I158 HydrophobicContact CB-CG1 3.64Å; C156-I158 PolarHBondContact O-N 3.38Å; I158-E160 PolarHBondContact O-N 3.33Å
159D84.3Confident83.4Confident83 Ų83103.3 Ų103.344%0.44452%0.523SS..  trans-76.9114.5167.2-177.81.9000109L161 G162 H173D159-L161 PolarHBondContact O-N 3.49Å; D159-L161 PolarHBondContact OD1-N 3.15Å; D159-L161 VanDerWaalsContact OD1-N 3.12Å; D159-G162 PolarHBondContact O-N 3.16Å; D159-G162 PolarHBondContact OD1-N 3.04Å; D159-G162 WeakPolarHBondContact OD2-CA 3.43Å; D159-G162 PolarHBondContact OD2-N 3.14Å; D159-H173 IonicContact OD1-CE1 2.94Å; D159-H173 IonicContact OD1-NE2 3.94Å; D159-H173 PolarHBondContact OD1-NE2 2.87Å; D159-H173 IonicContact OD2-CD2 2.94Å; D159-H173 IonicContact OD2-NE2 2.81Å; D159-H173 PolarHBondContact OD2-NE2 3.12Å
160E80.6Confident82.8Confident148 Ų148101.5 Ų101.569%0.69252%0.519SS*.THydrogen-bonded Turntrans-62.7-31.2-178.1-65-177-153.400112.9I153 I158I153-E160 HydrophobicContact CD1-CG 4.13Å; I153-E160 HydrophobicContact CG2-CG 3.67Å; I158-E160 PolarHBondContact O-N 3.33Å
161L76.9Confident82.3Confident108 Ų10898.6 Ų98.657%0.56551%0.507SS*.THydrogen-bonded Turntrans-97.5-2.3175.9-61179.4000111.3D159 P172D159-L161 PolarHBondContact O-N 3.49Å; D159-L161 PolarHBondContact OD1-N 3.15Å; D159-L161 VanDerWaalsContact OD1-N 3.12Å; L161-P172 HydrophobicContact CB-CB 3.96Å; L161-P172 WeakPolarHBondContact O-CB 3.47Å; L161-P172 WeakPolarHBondContact O-CG 3.48Å
162G78.1Confident81.8Confident41 Ų4193.1 Ų93.142%0.42349%0.486SS..  trans-60.4136.4-176.500000111.9D159D159-G162 PolarHBondContact O-N 3.16Å; D159-G162 PolarHBondContact OD1-N 3.04Å; D159-G162 WeakPolarHBondContact OD2-CA 3.43Å; D159-G162 PolarHBondContact OD2-N 3.14Å
163T79.4Confident81Confident54 Ų5495.1 Ų95.133%0.33149%0.494SS..  trans-110.9156.7173.676.50000111.8Y165 F170 P172T163-Y165 PolarHBondContact O-N 3.03Å; T163-Y165 PolarHBondContact OG1-N 3.19Å; T163-Y165 PolarHBondContact OG1-O 3.05Å; T163-F170 HydrophobicContact CG2-CD1 3.4Å; T163-F170 HydrophobicContact CG2-CE1 3.47Å; T163-F170 VanDerWaalsContact CG2-CE1 3.47Å; T163-P172 HydrophobicContact CG2-CG 3.43Å; T163-P172 VanDerWaalsContact CG2-CG 3.43Å
164N80.9Confident80.2Confident159 Ų15995.6 Ų95.685%0.8551%0.509SS*.SBendtrans-77.3-4.1168.1-164.8-96.4000112
165Y78.3Confident79.6Confident144 Ų14497.1 Ų97.157%0.56551%0.509SS*.SBendtrans-80.6145.7178.6-65.3-61.8000110.5T163 M169T163-Y165 PolarHBondContact O-N 3.03Å; T163-Y165 PolarHBondContact OG1-N 3.19Å; T163-Y165 PolarHBondContact OG1-O 3.05Å; Y165-M169 HydrophobicContact CD1-CE 2.98Å; Y165-M169 HydrophobicContact CE1-CE 3.58Å; Y165-M169 HydrophobicContact CG-CE 3.54Å
166P79.3Confident78.9Confident7 Ų791.8 Ų91.85%0.04549%0.494CS..  trans-62.6143.7170.930.9-36.8000109.4V86 A87 D168 M169 F170V86-P166 HydrophobicContact CG1-CB 4.41Å; A87-P166 HydrophobicContact CB-CB 3.81Å; A87-P166 HydrophobicContact CB-CG 4.46Å; P166-D168 WeakPolarHBondContact CB-OD1 3.16Å; P166-D168 WeakPolarHBondContact CG-OD1 3.42Å; P166-D168 PolarHBondContact O-N 3.01Å; P166-D168 VanDerWaalsContact O-N 3.17Å; P166-M169 HydrophobicContact CG-CB 4.26Å; P166-M169 PolarHBondContact O-N 3.13Å; P166-F170 PolarHBondContact O-N 3.2Å; P166-F170 VanDerWaalsContact O-N 3.14Å
167K77.2Confident78.1Confident126 Ų12695.9 Ų95.955%0.54851%0.506SS..THydrogen-bonded Turntrans-62.8-22.2-173.9-63.6178.5179.5-179.30113Q83 M169Q83-K167 HydrophobicContact CG-CD 4.47Å; K167-M169 PolarHBondContact O-N 3.04Å
168D74.9Confident77.3Confident106 Ų10697.5 Ų97.557%0.56750%0.502SS*.THydrogen-bonded Turntrans-64.2-29.617369.1-28.5000112.5P166P166-D168 WeakPolarHBondContact CB-OD1 3.16Å; P166-D168 WeakPolarHBondContact CG-OD1 3.42Å; P166-D168 PolarHBondContact O-N 3.01Å; P166-D168 VanDerWaalsContact O-N 3.17Å
169M76.5Confident76.8Confident88 Ų8895.7 Ų95.743%0.43350%0.498SS..THydrogen-bonded Turntrans-96.6-40.8-178-171.5169.66900111.9R94 Y165 P166 K167R94-M169 PolarHBondContact NH1-SD 3.17Å; R94-M169 VanDerWaalsContact NH1-SD 3.44Å; Y165-M169 HydrophobicContact CD1-CE 2.98Å; Y165-M169 HydrophobicContact CE1-CE 3.58Å; Y165-M169 HydrophobicContact CG-CE 3.54Å; P166-M169 HydrophobicContact CG-CB 4.26Å; P166-M169 PolarHBondContact O-N 3.13Å; K167-M169 PolarHBondContact O-N 3.04Å
170F75.6Confident76.6Confident111 Ų11197.4 Ų97.449%0.48750%0.499SS..  trans-152.6114.2178.3-174.5-109.9000110.6T163 P166 P172T163-F170 HydrophobicContact CG2-CD1 3.4Å; T163-F170 HydrophobicContact CG2-CE1 3.47Å; T163-F170 VanDerWaalsContact CG2-CE1 3.47Å; P166-F170 PolarHBondContact O-N 3.2Å; P166-F170 VanDerWaalsContact O-N 3.14Å; F170-P172 HydrophobicContact CD1-CG 4.04Å; F170-P172 HydrophobicContact CE1-CG 3.73Å; F170-P172 WeakPolarHBondContact O-CD 3.15Å
171D78.4Confident76.7Confident66 Ų6699.8 Ų99.835%0.35350%0.503SS..  trans-110.7103.1171.9-168-2.4000110.3H173 G174D171-H173 PolarHBondContact O-N 3.26Å; D171-H173 VanDerWaalsContact O-N 3.17Å; D171-H173 PolarHBondContact OD1-N 3.5Å; D171-G174 PolarHBondContact O-N 3.04Å
172P79.4Confident76.9Confident27 Ų27100.7 Ų100.718%0.17550%0.504CS..THydrogen-bonded Turntrans-51.6-31.3171.8-27.534.8000113.9L161 T163 F170L161-P172 HydrophobicContact CB-CB 3.96Å; L161-P172 WeakPolarHBondContact O-CB 3.47Å; L161-P172 WeakPolarHBondContact O-CG 3.48Å; T163-P172 HydrophobicContact CG2-CG 3.43Å; T163-P172 VanDerWaalsContact CG2-CG 3.43Å; F170-P172 HydrophobicContact CD1-CG 4.04Å; F170-P172 HydrophobicContact CE1-CG 3.73Å; F170-P172 WeakPolarHBondContact O-CD 3.15Å
173H73.4Confident77.1Confident100 Ų10099.7 Ų99.746%0.46349%0.492SS..THydrogen-bonded Turntrans-100.19.2-177.7-58.5-71.8000112.4D159 D171 W175D159-H173 IonicContact OD1-CE1 2.94Å; D159-H173 IonicContact OD1-NE2 3.94Å; D159-H173 PolarHBondContact OD1-NE2 2.87Å; D159-H173 IonicContact OD2-CD2 2.94Å; D159-H173 IonicContact OD2-NE2 2.81Å; D159-H173 PolarHBondContact OD2-NE2 3.12Å; D171-H173 PolarHBondContact O-N 3.26Å; D171-H173 VanDerWaalsContact O-N 3.17Å; D171-H173 PolarHBondContact OD1-N 3.5Å; H173-W175 PolarHBondContact O-N 2.94Å; H173-W175 VanDerWaalsContact O-N 3.16Å
174G72.3Confident77.2Confident53 Ų53102 Ų10255%0.54650%0.502SS..  trans-73.1-1.5-176.100000115.2D171D171-G174 PolarHBondContact O-N 3.04Å
175W76.1Confident77.4Confident180 Ų18096.2 Ų96.268%0.68248%0.477SS*.  trans-79.5120.9176.7-61.699.2000110.3H173 Y180H173-W175 PolarHBondContact O-N 2.94Å; H173-W175 VanDerWaalsContact O-N 3.16Å; W175-Y180 HydrophobicContact CB-CE2 4Å; W175-Y180 WeakPolarHBondContact O-CE2 3.42Å; W175-Y180 PolarHBondContact O-OH 2.85Å
176S75.1Confident77.6Confident66 Ų6694.7 Ų94.746%0.46247%0.473SS..  trans-72.5153.2173.258.40000111.5D178 S179 Y180S176-D178 PolarHBondContact O-N 3.12Å; S176-S179 WeakPolarHBondContact O-CB 3.22Å; S176-S179 PolarHBondContact O-N 3.18Å; S176-S179 PolarHBondContact OG-OG 3.35Å; S176-Y180 WeakPolarHBondContact O-CD2 3.07Å; S176-Y180 WeakPolarHBondContact O-CE2 3.38Å
177E71.1Confident77.8Confident158 Ų15897.1 Ų97.174%0.73849%0.493SS*.G310 helixtrans-51.5-32-179.9-161.3167.3-18000113.3S179 Y180 A183E177-S179 PolarHBondContact O-N 3.48Å; E177-Y180 WeakPolarHBondContact O-CD2 3.36Å; E177-Y180 PolarHBondContact O-N 3.02Å; E177-A183 WeakPolarHBondContact O-CB 3.48Å
178D69.1Low78.1Confident124 Ų12497.4 Ų97.466%0.66350%0.496SS*.G310 helixtrans-66.4-20.1177.6-65.2-29.9000114.7S176S176-D178 PolarHBondContact O-N 3.12Å
179S76.3Confident78.6Confident60 Ų6099 Ų9942%0.4250%0.498SS..G310 helixtrans-85.2-12.3177.4-61.80000112.9S176 E177S176-S179 WeakPolarHBondContact O-CB 3.22Å; S176-S179 PolarHBondContact O-N 3.18Å; S176-S179 PolarHBondContact OG-OG 3.35Å; E177-S179 PolarHBondContact O-N 3.48Å
180Y80.1Confident79Confident119 Ų11999 Ų9947%0.46750%0.499SS..SBendtrans-82.1151.1-178.6-65.8-93.5000111.4W175 S176 E177 E182 A183 L184W175-Y180 HydrophobicContact CB-CE2 4Å; W175-Y180 WeakPolarHBondContact O-CE2 3.42Å; W175-Y180 PolarHBondContact O-OH 2.85Å; S176-Y180 WeakPolarHBondContact O-CD2 3.07Å; S176-Y180 WeakPolarHBondContact O-CE2 3.38Å; E177-Y180 WeakPolarHBondContact O-CD2 3.36Å; E177-Y180 PolarHBondContact O-N 3.02Å; Y180-E182 PolarHBondContact O-N 3.18Å; Y180-E182 VanDerWaalsContact O-N 3.12Å; Y180-A183 PolarHBondContact O-N 2.99Å; Y180-L184 PolarHBondContact O-N 3.32Å
181Y82.7Confident79.3Confident198 Ų19899.2 Ų99.278%0.77650%0.502SS*.Hα-helixtrans-48.6-43.2-176.8174.5-99.4000113.3A183 L184 A185Y181-A183 PolarHBondContact O-N 3.4Å; Y181-L184 PolarHBondContact O-N 3.32Å; Y181-A185 WeakPolarHBondContact O-CB 3.4Å; Y181-A185 PolarHBondContact O-N 3.4Å
182E81.6Confident79.3Confident127 Ų127100.4 Ų100.459%0.59351%0.506SS*.Hα-helixtrans-63.4-41.8-179.7-71.3-159.5-174.100113.5Y180 K186Y180-E182 PolarHBondContact O-N 3.18Å; Y180-E182 VanDerWaalsContact O-N 3.12Å; E182-K186 WeakPolarHBondContact O-CB 3.17Å; E182-K186 WeakPolarHBondContact O-CD 3.39Å; E182-K186 WeakPolarHBondContact O-CG 3.48Å; E182-K186 PolarHBondContact O-N 3.49Å; E182-K186 IonicContact OE2-NZ 2.94Å; E182-K186 PolarHBondContact OE2-NZ 3.49Å
183A81Confident79.4Confident21 Ų21102.9 Ų102.917%0.17452%0.518CS..Hα-helixtrans-70.8-39.7-178.100000111.1E177 Y180 Y181 K186 A187E177-A183 WeakPolarHBondContact O-CB 3.48Å; Y180-A183 PolarHBondContact O-N 2.99Å; Y181-A183 PolarHBondContact O-N 3.4Å; A183-K186 PolarHBondContact O-N 3.31Å; A183-A187 WeakPolarHBondContact O-CB 3.4Å; A183-A187 PolarHBondContact O-N 3.32Å
184L82.6Confident79.8Confident101 Ų101105 Ų10553%0.52953%0.526SS..Hα-helixtrans-62-45.1173.9-66.8174.8000111.8Y180 Y181 K186 A187 Q188Y180-L184 PolarHBondContact O-N 3.32Å; Y181-L184 PolarHBondContact O-N 3.32Å; L184-K186 PolarHBondContact O-N 2.97Å; L184-A187 PolarHBondContact O-N 2.9Å; L184-Q188 WeakPolarHBondContact O-CB 3.34Å; L184-Q188 PolarHBondContact O-N 3.48Å
185A84.3Confident80Confident39 Ų39106.3 Ų106.332%0.32252%0.52SS..Hα-helixtrans-63.3-41.8177.200000111.9Y181 K189Y181-A185 WeakPolarHBondContact O-CB 3.4Å; Y181-A185 PolarHBondContact O-N 3.4Å; A185-K189 WeakPolarHBondContact O-CB 3.2Å; A185-K189 PolarHBondContact O-N 2.98Å
186K83.8Confident80.1Confident112 Ų112103.2 Ų103.249%0.48751%0.513SS..Hα-helixtrans-62.5-45.9174.5-73.1165-167.7161.50111E182 A183 L184 K189 I190E182-K186 WeakPolarHBondContact O-CB 3.17Å; E182-K186 WeakPolarHBondContact O-CD 3.39Å; E182-K186 WeakPolarHBondContact O-CG 3.48Å; E182-K186 PolarHBondContact O-N 3.49Å; E182-K186 IonicContact OE2-NZ 2.94Å; E182-K186 PolarHBondContact OE2-NZ 3.49Å; A183-K186 PolarHBondContact O-N 3.31Å; L184-K186 PolarHBondContact O-N 2.97Å; K186-K189 PolarHBondContact O-N 2.99Å; K186-I190 WeakPolarHBondContact O-CB 3.38Å; K186-I190 WeakPolarHBondContact O-CD1 3.31Å; K186-I190 WeakPolarHBondContact O-CG1 3.38Å; K186-I190 PolarHBondContact O-N 2.99Å
187A82.1Confident80.2Confident57 Ų57106.5 Ų106.547%0.47152%0.519SS..Hα-helixtrans-62-45.8178.600000112.1A183 L184 I190 E191A183-A187 WeakPolarHBondContact O-CB 3.4Å; A183-A187 PolarHBondContact O-N 3.32Å; L184-A187 PolarHBondContact O-N 2.9Å; A187-I190 PolarHBondContact O-N 3.37Å; A187-E191 PolarHBondContact O-N 2.95Å
188Q84.6Confident80.4Confident132 Ų132101.6 Ų101.662%0.61751%0.505SS*.Hα-helixtrans-62.7-43.6177.8-172.618027.300111.8L184 E191 M192L184-Q188 WeakPolarHBondContact O-CB 3.34Å; L184-Q188 PolarHBondContact O-N 3.48Å; Q188-E191 PolarHBondContact O-N 2.98Å; Q188-M192 WeakPolarHBondContact O-CB 3.21Å; Q188-M192 WeakPolarHBondContact O-CG 3.35Å; Q188-M192 PolarHBondContact O-N 3.24Å
189K85.3Confident80.7Confident139 Ų139102 Ų10260%0.60450%0.501SS*.Hα-helixtrans-61.3-45.5176.2-175.8178.6178.5-179.80111.6A185 K186 E191 M192 D193A185-K189 WeakPolarHBondContact O-CB 3.2Å; A185-K189 PolarHBondContact O-N 2.98Å; K186-K189 PolarHBondContact O-N 2.99Å; K189-E191 VanDerWaalsContact C-N 3.3Å; K189-E191 PolarHBondContact O-N 3.15Å; K189-M192 PolarHBondContact O-N 3.38Å; K189-D193 WeakPolarHBondContact O-CB 3.29Å; K189-D193 VanDerWaalsContact O-CG 3.22Å; K189-D193 PolarHBondContact O-N 3.05Å
190I85Confident80.5Confident88 Ų88107 Ų10745%0.45152%0.516SS..Hα-helixtrans-61.4-40.1178-70.3164.2000111.2K186 A187 K194K186-I190 WeakPolarHBondContact O-CB 3.38Å; K186-I190 WeakPolarHBondContact O-CD1 3.31Å; K186-I190 WeakPolarHBondContact O-CG1 3.38Å; K186-I190 PolarHBondContact O-N 2.99Å; A187-I190 PolarHBondContact O-N 3.37Å; I190-K194 HydrophobicContact CG2-CD 4.15Å; I190-K194 WeakPolarHBondContact O-CB 3.45Å; I190-K194 WeakPolarHBondContact O-CG 3.49Å; I190-K194 PolarHBondContact O-N 3.48Å
191E80.8Confident79.8Confident117 Ų117106.9 Ų106.955%0.54752%0.519SS..Hα-helixtrans-65.1-46.7176.2-162.6-155.7169.700111.6A187 Q188 K189 D193 K194 L195A187-E191 PolarHBondContact O-N 2.95Å; Q188-E191 PolarHBondContact O-N 2.98Å; K189-E191 VanDerWaalsContact C-N 3.3Å; K189-E191 PolarHBondContact O-N 3.15Å; E191-D193 PolarHBondContact O-N 2.93Å; E191-K194 WeakPolarHBondContact O-CB 3.44Å; E191-K194 PolarHBondContact O-N 2.85Å; E191-L195 WeakPolarHBondContact O-CG 3.38Å; E191-L195 PolarHBondContact O-N 3.43Å
192M78.3Confident78.9Confident90 Ų90107 Ų10744%0.44352%0.518SS..Hα-helixtrans-61-45.2177.6-74.6-61.8-6200111.9Q188 K189 K194 L195 E196Q188-M192 WeakPolarHBondContact O-CB 3.21Å; Q188-M192 WeakPolarHBondContact O-CG 3.35Å; Q188-M192 PolarHBondContact O-N 3.24Å; K189-M192 PolarHBondContact O-N 3.38Å; M192-K194 VanDerWaalsContact C-N 3.31Å; M192-K194 PolarHBondContact O-N 3.27Å; M192-L195 PolarHBondContact O-N 3.25Å; M192-L195 VanDerWaalsContact O-N 3.15Å; M192-E196 WeakPolarHBondContact O-CG 3.38Å; M192-E196 PolarHBondContact O-N 3.4Å
193D81.9Confident78.1Confident80 Ų80105.1 Ų105.143%0.42852%0.516SS..Hα-helixtrans-62.8-37.3177.3-71.5-14.6000111.6K189 E191 K197K189-D193 WeakPolarHBondContact O-CB 3.29Å; K189-D193 VanDerWaalsContact O-CG 3.22Å; K189-D193 PolarHBondContact O-N 3.05Å; E191-D193 PolarHBondContact O-N 2.93Å; D193-K197 VanDerWaalsContact O-CB 3.23Å; D193-K197 WeakPolarHBondContact O-CB 3.23Å; D193-K197 PolarHBondContact O-N 2.89Å
194K82.6Confident77.5Confident144 Ų144111 Ų11163%0.62654%0.537SS*.Hα-helixtrans-64.5-43.6173.9-77.1169.7-177.8173.70111.5I190 E191 M192 A198I190-K194 HydrophobicContact CG2-CD 4.15Å; I190-K194 WeakPolarHBondContact O-CB 3.45Å; I190-K194 WeakPolarHBondContact O-CG 3.49Å; I190-K194 PolarHBondContact O-N 3.48Å; E191-K194 WeakPolarHBondContact O-CB 3.44Å; E191-K194 PolarHBondContact O-N 2.85Å; M192-K194 VanDerWaalsContact C-N 3.31Å; M192-K194 PolarHBondContact O-N 3.27Å; K194-A198 VanDerWaalsContact O-CB 3.29Å; K194-A198 WeakPolarHBondContact O-CB 3.43Å; K194-A198 PolarHBondContact O-N 2.96Å
195L76.8Confident76.3Confident81 Ų81108.6 Ų108.642%0.42453%0.532SS..Hα-helixtrans-67.5-40.1177.9-70.5175.3000111.9E191 M192 A198 K199E191-L195 WeakPolarHBondContact O-CG 3.38Å; E191-L195 PolarHBondContact O-N 3.43Å; M192-L195 PolarHBondContact O-N 3.25Å; M192-L195 VanDerWaalsContact O-N 3.15Å; L195-A198 PolarHBondContact O-N 3.45Å; L195-K199 WeakPolarHBondContact O-CB 3.38Å; L195-K199 WeakPolarHBondContact O-CG 3.34Å; L195-K199 PolarHBondContact O-N 3.48Å
196E77.7Confident74.6Confident115 Ų115110.6 Ų110.654%0.53754%0.543SS..Hα-helixtrans-67.4-41.9176.3-74.5-169.9176.300112.1M192 K199 K200M192-E196 WeakPolarHBondContact O-CG 3.38Å; M192-E196 PolarHBondContact O-N 3.4Å; E196-K199 PolarHBondContact O-N 3.32Å; E196-K200 VanDerWaalsContact O-CB 3.26Å; E196-K200 WeakPolarHBondContact O-CB 3.22Å; E196-K200 PolarHBondContact O-N 3.16Å
197K76.8Confident73Confident135 Ų135109.4 Ų109.459%0.58755%0.547SS*.Hα-helixtrans-62.4-44.9174-170.3177.6-179.9-1770111.2D193 K199 K200 E201D193-K197 VanDerWaalsContact O-CB 3.23Å; D193-K197 WeakPolarHBondContact O-CB 3.23Å; D193-K197 PolarHBondContact O-N 2.89Å; K197-K199 PolarHBondContact O-N 2.85Å; K197-K200 PolarHBondContact O-N 3.47Å; K197-E201 VanDerWaalsContact CE-OE1 3.31Å; K197-E201 WeakPolarHBondContact CE-OE1 3.35Å; K197-E201 WeakPolarHBondContact O-CB 3.43Å; K197-E201 WeakPolarHBondContact O-CG 3.24Å; K197-E201 PolarHBondContact O-N 2.89Å
198A75.4Confident71.4Confident54 Ų54115.6 Ų115.645%0.44656%0.559SS.*Hα-helixtrans-63.1-40.6175.900000112.2K194 L195 R202K194-A198 VanDerWaalsContact O-CB 3.29Å; K194-A198 WeakPolarHBondContact O-CB 3.43Å; K194-A198 PolarHBondContact O-N 2.96Å; L195-A198 PolarHBondContact O-N 3.45Å; A198-R202 WeakPolarHBondContact O-CB 3.35Å; A198-R202 PolarHBondContact O-N 2.86Å
199K74.4Confident69.8Low133 Ų133115.8 Ų115.858%0.57856%0.564SS**Hα-helixtrans-64-46.7174.2-76.4171-179.1175.50111.4L195 E196 K197 E201 R202 T203L195-K199 WeakPolarHBondContact O-CB 3.38Å; L195-K199 WeakPolarHBondContact O-CG 3.34Å; L195-K199 PolarHBondContact O-N 3.48Å; E196-K199 PolarHBondContact O-N 3.32Å; K197-K199 PolarHBondContact O-N 2.85Å; K199-E201 VanDerWaalsContact C-N 3.33Å; K199-E201 PolarHBondContact O-N 3.46Å; K199-R202 PolarHBondContact O-N 3.32Å; K199-T203 PolarHBondContact O-N 2.8Å; K199-T203 PolarHBondContact O-OG1 2.84Å
200K72.8Confident68.3Low165 Ų165114.9 Ų114.972%0.71757%0.57SS**Hα-helixtrans-62.6-39.8178.6-172.2173-177.3173.30111.8E196 K197 K204E196-K200 VanDerWaalsContact O-CB 3.26Å; E196-K200 WeakPolarHBondContact O-CB 3.22Å; E196-K200 PolarHBondContact O-N 3.16Å; K197-K200 PolarHBondContact O-N 3.47Å; K200-K204 VanDerWaalsContact O-CB 3.24Å; K200-K204 WeakPolarHBondContact O-CB 3.45Å; K200-K204 PolarHBondContact O-N 3.15Å
201E65.6Low66.5Low116 Ų116115.6 Ų115.654%0.54258%0.583SS.*Hα-helixtrans-68.6-40.6174.1-73.7-179.2-175.300111.9K197 K199 K204 A205K197-E201 VanDerWaalsContact CE-OE1 3.31Å; K197-E201 WeakPolarHBondContact CE-OE1 3.35Å; K197-E201 WeakPolarHBondContact O-CB 3.43Å; K197-E201 WeakPolarHBondContact O-CG 3.24Å; K197-E201 PolarHBondContact O-N 2.89Å; K199-E201 VanDerWaalsContact C-N 3.33Å; K199-E201 PolarHBondContact O-N 3.46Å; E201-K204 PolarHBondContact O-N 3.03Å; E201-A205 WeakPolarHBondContact O-CB 3.48Å; E201-A205 PolarHBondContact O-N 3.45Å
202R63.5Low65.1Low200 Ų200114.1 Ų114.176%0.75559%0.591SS**Hα-helixtrans-64.5-41.5176.2-135.9-152.7-71.5-1462.9112.6A198 K199 A205 C206A198-R202 WeakPolarHBondContact O-CB 3.35Å; A198-R202 PolarHBondContact O-N 2.86Å; K199-R202 PolarHBondContact O-N 3.32Å; R202-A205 PolarHBondContact O-N 2.92Å; R202-C206 WeakPolarHBondContact O-CB 3.26Å; R202-C206 PolarHBondContact O-N 2.99Å
203T64.6Low63.3Low89 Ų89114.3 Ų114.355%0.54661%0.607SS.*Hα-helixtrans-68.5-39.4176.8-53.50000111.2K199 A205 C206 C207K199-T203 PolarHBondContact O-N 2.8Å; K199-T203 PolarHBondContact O-OG1 2.84Å; T203-A205 PolarHBondContact O-N 3.36Å; T203-C206 PolarHBondContact O-N 3.28Å; T203-C207 PolarHBondContact O-N 3.05Å; T203-C207 PolarHBondContact O-SG 3.41Å
204K68.9Low61.6Low144 Ų144117.1 Ų117.163%0.62663%0.629SS**Hα-helixtrans-66.6-34.3175.7-172.1176.7-179.1-179.80112.9K200 E201 R208K200-K204 VanDerWaalsContact O-CB 3.24Å; K200-K204 WeakPolarHBondContact O-CB 3.45Å; K200-K204 PolarHBondContact O-N 3.15Å; E201-K204 PolarHBondContact O-N 3.03Å; K204-R208 PolarHBondContact O-N 3.49Å
205A58Low59.9Low51 Ų51113.7 Ų113.742%0.42164%0.635SS.*Hα-helixtrans-67.2-49.517300000111.3E201 R202 T203 C207 R208 D209E201-A205 WeakPolarHBondContact O-CB 3.48Å; E201-A205 PolarHBondContact O-N 3.45Å; R202-A205 PolarHBondContact O-N 2.92Å; T203-A205 PolarHBondContact O-N 3.36Å; A205-C207 VanDerWaalsContact C-N 3.32Å; A205-C207 PolarHBondContact O-N 3.36Å; A205-R208 WeakPolarHBondContact O-CB 3.47Å; A205-R208 PolarHBondContact O-N 2.88Å; A205-D209 PolarHBondContact O-N 2.89Å
206C48.1Very low57.9Low81 Ų81117 Ų11755%0.54765%0.653SS.*Hα-helixtrans-54.9-43.2176.9-177.40000113R202 T203 R208 D209 V210R202-C206 WeakPolarHBondContact O-CB 3.26Å; R202-C206 PolarHBondContact O-N 2.99Å; T203-C206 PolarHBondContact O-N 3.28Å; C206-R208 VanDerWaalsContact C-N 3.31Å; C206-R208 PolarHBondContact O-N 3.22Å; C206-D209 PolarHBondContact O-N 3.46Å; C206-V210 WeakPolarHBondContact O-CG2 3.46Å
207C48.8Very low56.5Low86 Ų86122.9 Ų122.958%0.58167%0.67SS**Hα-helixtrans-72.2-21.2178.8-63.80000113.8T203 A205T203-C207 PolarHBondContact O-N 3.05Å; T203-C207 PolarHBondContact O-SG 3.41Å; A205-C207 VanDerWaalsContact C-N 3.32Å; A205-C207 PolarHBondContact O-N 3.36Å
208R50.5Low54.6Low187 Ų187121.8 Ų121.871%0.70668%0.68SS**Hα-helixtrans-75.6-37.2177.3-122.3175.7176.5171.3-3.3111.4K204 A205 C206 V210 S211K204-R208 PolarHBondContact O-N 3.49Å; A205-R208 WeakPolarHBondContact O-CB 3.47Å; A205-R208 PolarHBondContact O-N 2.88Å; C206-R208 VanDerWaalsContact C-N 3.31Å; C206-R208 PolarHBondContact O-N 3.22Å; R208-V210 PolarHBondContact O-N 2.96Å; R208-S211 PolarHBondContact O-N 3.08Å; R208-S211 PolarHBondContact O-OG 2.8Å
209D50.6Low53Low136 Ų136125.4 Ų125.473%0.72770%0.7SS**Hα-helixtrans-73.9-11.7179.7-63.7-49.5000113.6A205 C206 S211A205-D209 PolarHBondContact O-N 2.89Å; C206-D209 PolarHBondContact O-N 3.46Å; D209-S211 VanDerWaalsContact C-N 3.32Å; D209-S211 PolarHBondContact O-N 3.41Å
210V53.3Low51.5Low121 Ų121124.9 Ų124.973%0.73371%0.71SS**THydrogen-bonded Turntrans-85.72.1177173.10000113.1C206 R208C206-V210 WeakPolarHBondContact O-CG2 3.46Å; R208-V210 PolarHBondContact O-N 2.96Å
211S47.4Very low50Low103 Ų103121.6 Ų121.672%0.7271%0.708SS**THydrogen-bonded Turntrans-104.48-175.357.80000115.7R208 D209R208-S211 PolarHBondContact O-N 3.08Å; R208-S211 PolarHBondContact O-OG 2.8Å; D209-S211 VanDerWaalsContact C-N 3.32Å; D209-S211 PolarHBondContact O-N 3.41Å
212A50.6Low49.1Very low86 Ų86122.2 Ų122.271%0.71172%0.722SS**SBendtrans-115.2114.917000000111.7
213A41.2Very low47.9Very low94 Ų94119 Ų11978%0.77772%0.724SS**  trans89.4121.6168.100000118.5
214P45.3Very low46.9Very low139 Ų139125.8 Ų125.890%0.90374%0.74SS**  trans-83.8117.5157.533.1-24.9000108.6
215G46.7Very low45.6Very low72 Ų72123.1 Ų123.174%0.74275%0.745SS**  trans164.9114.9172.800000114.4
216D36.1Very low44.7Very low151 Ų151123.9 Ų123.981%0.80776%0.758SS**  trans66.297.9161.9-79.9-35.9000121.4S218D216-S218 PolarHBondContact O-N 3.5Å
217R47.9Very low44.6Very low237 Ų237125.9 Ų125.989%0.89477%0.767SS**  11.2102.5123.7-62.9176.9-177.8-114.5-0.6116.1
218S37.8Very low44.5Very low113 Ų113126.5 Ų126.579%0.7978%0.779SS**  -172.8124.7116.252.30000110.1D216D216-S218 PolarHBondContact O-N 3.5Å
219C40.7Very low44.2Very low129 Ų129121.9 Ų121.987%0.87278%0.775SS**PPolyproline II helixtrans-81.3126.8170.3-57.40000108.7
220P42.8Very low43.9Very low123 Ų123120.4 Ų120.480%0.79978%0.775SS**PPolyproline II helixtrans-79118153.230.2-24.9000107.4
221S41.8Very low43.2Very low96 Ų96125.9 Ų125.967%0.67178%0.783SS**PPolyproline II helixtrans-55.2143.2169.633.90000110.6V223S221-V223 PolarHBondContact O-N 3.31Å
222P45.8Very low43.3Very low129 Ų129126.9 Ų126.984%0.83878%0.784SS**  trans-70.9107.2171.728.5-28.9000107.6R224P222-R224 PolarHBondContact O-N 3.42Å
223V39Very low43Very low132 Ų132130.3 Ų130.380%0.879%0.79SS**  trans-62.8111.8166.6179.60000106.7S221 A225S221-V223 PolarHBondContact O-N 3.31Å; V223-A225 VanDerWaalsContact C-N 3.33Å; V223-A225 PolarHBondContact O-N 3.41Å
224R43.5Very low43.4Very low232 Ų232131.2 Ų131.288%0.87579%0.791SS**  trans-61.693.4171.3-165.4176.993.7-128.26.3108P222 G226P222-R224 PolarHBondContact O-N 3.42Å; R224-G226 VanDerWaalsContact C-N 3.28Å; R224-G226 PolarHBondContact O-N 3.33Å
225A41.9Very low43.5Very low87 Ų87135.6 Ų135.672%0.71981%0.805SS**  trans-70.391.9165.600000107.5V223 T227V223-A225 VanDerWaalsContact C-N 3.33Å; V223-A225 PolarHBondContact O-N 3.41Å; A225-T227 PolarHBondContact O-N 3Å; A225-T227 VanDerWaalsContact O-N 3.08Å
226G39.7Very low43.3Very low68 Ų68138.8 Ų138.870%0.70181%0.808SS**  trans-67.699.3165.700000108.5R224 A228R224-G226 VanDerWaalsContact C-N 3.28Å; R224-G226 PolarHBondContact O-N 3.33Å; G226-A228 PolarHBondContact O-N 3.31Å; G226-A228 VanDerWaalsContact O-N 3.15Å
227T45Very low43.7Very low122 Ų122138.1 Ų138.175%0.74881%0.808SS**  trans-7497.5161.451.60000107.1A225 S229A225-T227 PolarHBondContact O-N 3Å; A225-T227 VanDerWaalsContact O-N 3.08Å; T227-S229 VanDerWaalsContact C-N 3.3Å; T227-S229 PolarHBondContact O-N 3.06Å
228A45.9Very low43.5Very low100 Ų100132.6 Ų132.683%0.82680%0.804SS**  trans-70.489.8165.200000108.4G226 S230G226-A228 PolarHBondContact O-N 3.31Å; G226-A228 VanDerWaalsContact O-N 3.15Å; A228-S230 PolarHBondContact O-N 3.04Å
229S45.6Very low43.8Very low90 Ų90133.8 Ų133.863%0.62980%0.804SS**  trans-78.2100.4163.8-62.20000107.5T227 W231T227-S229 VanDerWaalsContact C-N 3.3Å; T227-S229 PolarHBondContact O-N 3.06Å; S229-W231 PolarHBondContact O-N 3.06Å; S229-W231 VanDerWaalsContact O-N 3.16Å
230S44.3Very low44Very low104 Ų104134.1 Ų134.173%0.72780%0.8SS**  trans-63.6107.4171.9-175.10000109.1A228 V232A228-S230 PolarHBondContact O-N 3.04Å; S230-V232 PolarHBondContact O-N 2.97Å
231W38.6Very low44.1Very low237 Ų237134.8 Ų134.890%0.89880%0.8SS**  trans-84.896.7162.5-71.578000107S229 L233S229-W231 PolarHBondContact O-N 3.06Å; S229-W231 VanDerWaalsContact O-N 3.16Å; W231-L233 PolarHBondContact O-N 3.5Å
232V49.2Very low44.3Very low123 Ų123137.6 Ų137.675%0.74581%0.81SS**  trans-82.8103.7165.2-179.80000107S230 S234S230-V232 PolarHBondContact O-N 2.97Å; V232-S234 PolarHBondContact O-N 3.4Å
233L43.9Very low44.2Very low159 Ų159138.2 Ų138.283%0.83281%0.807SS**  trans-65113.5161-85.4142.8000108.1W231W231-L233 PolarHBondContact O-N 3.5Å
234S49.7Very low44.6Very low112 Ų112138.8 Ų138.878%0.78381%0.808SS**  trans-95.7116159.7-153.90000107.7V232V232-S234 PolarHBondContact O-N 3.4Å
235L47.8Very low44.7Very low231 Ų231130.3 Ų130.3100%1.20980%0.802SS**  trans-61.10153.2-106.772.1000109.8

Retrieved 235 of 235 residues in 164 ms (Link to these results)