A0A087WXE2_HUMAN Loading...

RNA pseudouridine synthase domain containing 2

AlphaFold DB , UniProt , Accession A0A087WXE2, Species HUMAN (Homo sapiens, Human), Gene RPUSD2, Length 172 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
1P48.8Very low44.8Very low186 Ų186142.8 Ų142.8100%1.20887%0.865SS**  0105.3018.6-33.4000107.7
2M36.9Very low44.2Very low196 Ų196141.5 Ų141.597%0.96686%0.857SS**  trans-79.8138.5-175.1-74.9-159.8170.400110.9
3A51.2Low43.7Very low100 Ų100144.8 Ų144.883%0.82686%0.858SS**  trans-119.3101.8170.700000109.3
4E51.3Low43Very low189 Ų189140.6 Ų140.688%0.88386%0.859SS**  trans25.6139.3141-52.6-168.8126.600122.6
5T45.4Very low42.3Very low136 Ų136136.3 Ų136.383%0.83485%0.854SS**  trans-71.2136.4-178.751.60000113.6
6V47.3Very low42.3Very low144 Ų144139.3 Ų139.387%0.87386%0.861SS**  trans-94115164173.20000109
7S50.9Low42Very low104 Ų104144.5 Ų144.573%0.72786%0.861SS**  trans-90.5119176.1-170.50000110.3
8T39.9Very low42Very low129 Ų129141.8 Ų141.879%0.79186%0.857SS**  trans-67129168.7-61.50000110.5
9Q42.4Very low42Very low186 Ų186139.8 Ų139.887%0.86985%0.85SS**  trans-129.1127.2160.5-68.9-163-55.300110.1
10V43.1Very low42.2Very low127 Ų127140.9 Ų140.977%0.7785%0.845SS**  trans-83.5128.9177.188.20000107.9
11G35.3Very low42.5Very low74 Ų74143.2 Ų143.276%0.76385%0.847SS**  trans-83.4114.9171.200000109.1
12T37.6Very low42.1Very low127 Ų127141 Ų14178%0.77982%0.821SS**  trans-101.1109170.4-27.60000108.7
13E38.1Very low41.9Very low185 Ų185139 Ų13986%0.86481%0.814SS**  trans-70.6141.8163.659.1-159.9112.600110.8
14G34.1Very low41.1Very low85 Ų85137.8 Ų137.888%0.87681%0.812SS**  trans147.5112.3160.800000116.1
15G32.9Very low40.4Very low76 Ų76136.5 Ų136.578%0.78481%0.811SS**  trans114.662.2142.800000117.6R17G15-R17 PolarHBondContact O-N 3.5Å; G15-R17 VanDerWaalsContact O-N 3.14Å
16L42.1Very low40Very low184 Ų184134.7 Ų134.796%0.96381%0.81SS**  trans-74.799.5156.1-72.9169.1000108.9A18L16-A18 PolarHBondContact O-N 3.39Å
17R36.5Very low39.3Very low229 Ų229131.3 Ų131.386%0.86480%0.804SS**  trans-67.8102176.6-159.4177.3-168.1-96.13.7108.8G15 S19G15-R17 PolarHBondContact O-N 3.5Å; G15-R17 VanDerWaalsContact O-N 3.14Å; R17-S19 PolarHBondContact O-N 3.22Å
18A42.1Very low38.4Very low96 Ų96129.9 Ų129.979%0.79381%0.806SS**  trans-64.5113.8169.300000109L16 H20L16-A18 PolarHBondContact O-N 3.39Å; A18-H20 PolarHBondContact O-N 2.76Å
19S42.1Very low38Very low103 Ų103132.1 Ų132.172%0.7281%0.813SS**  trans-62.7103.8175.6-60.90000109.8R17 Q21R17-S19 PolarHBondContact O-N 3.22Å; S19-Q21 PolarHBondContact O-N 3.02Å
20H45.7Very low37.6Very low162 Ų162127.9 Ų127.975%0.7581%0.809SS**  trans-60.997.8165.4-173.478.2000108.1A18 Q22A18-H20 PolarHBondContact O-N 2.76Å; H20-Q22 PolarHBondContact O-N 3.43Å
21Q49.4Very low37.1Very low189 Ų189130.9 Ų130.988%0.88381%0.812SS**  trans-72.2111.2168.4-80.2-172.119.800108.2S19S19-Q21 PolarHBondContact O-N 3.02Å
22Q40.6Very low37.1Very low141 Ų141134.2 Ų134.266%0.65982%0.817SS**  trans-88.2144.3175.5-133.2-179.85.600109.3H20H20-Q22 PolarHBondContact O-N 3.43Å
23N32.8Very low36.7Very low152 Ų152135.6 Ų135.681%0.81382%0.815SS**  trans104.9135.9148.7-54.6-28.3000119.4
24G34.3Very low36.4Very low76 Ų76134.3 Ų134.378%0.78481%0.813SS**  trans16845.1169.100000112.5
25D35.2Very low36.7Very low162 Ų162135.5 Ų135.587%0.86681%0.808SS**  trans-72.9119.8164.3-176.6-101.7000108
26A38.7Very low36.9Very low98 Ų98138.3 Ų138.381%0.8181%0.812SS**  trans-136.285169.500000107.6
27G31.8Very low36.4Very low73 Ų73132.8 Ų132.875%0.75380%0.8SS**  trans-62.5137.8162.200000111
28G31.8Very low36.9Very low74 Ų74127.9 Ų127.976%0.76380%0.798SS**  trans-143.895.9173.100000109.3A30G28-A30 PolarHBondContact O-N 3.29Å
29D31.8Very low36.6Very low176 Ų176129.7 Ų129.794%0.94180%0.801SS**  trans-60122.9166.3-108.9-88.1000110.1
30A34.1Very low36.3Very low96 Ų96134.5 Ų134.579%0.79381%0.81SS**  trans-148.3101.4162.400000110.2G28G28-A30 PolarHBondContact O-N 3.29Å
31K32.8Very low35.9Very low190 Ų190132.6 Ų132.683%0.82681%0.812SS**  trans-78115.5169.8-175.8-168.6-179.3-156.90109.1
32V34.2Very low35.1Very low144 Ų144128.7 Ų128.787%0.87381%0.811SS**  trans-139.6137.4160.4173.10000110
33E29.8Very low34.5Very low156 Ų156126 Ų12673%0.72982%0.821SS**  trans-97.2142.7-161.6-169.7-178.6106.400112.7
34L32.6Very low34.4Very low158 Ų158130.2 Ų130.283%0.82783%0.826SS**  trans54.2132.4157.7-9577.8000124.7
35S39.9Very low34.1Very low110 Ų110136 Ų13677%0.76983%0.832SS**  trans-83.1173.6171.7-470000114.1
36P37Very low34Very low135 Ų135133.7 Ų133.788%0.87782%0.824SS**  -140143.78934.1-17.6000111.9
37G32.2Very low33.5Very low69 Ų69136.4 Ų136.471%0.71182%0.82SS**  121.2121.654.800000107.9
38P45.8Very low33.8Very low126 Ų126138.7 Ų138.782%0.81882%0.821SS**PPolyproline II helixtrans-95.1148.3-171.534.7-32.5000113.8
39P35.6Very low33.8Very low133 Ų133139 Ų13986%0.86482%0.817SS**PPolyproline II helixtrans-84.1142.4170.532-31.1000112.7
40K36.8Very low34Very low205 Ų205136.3 Ų136.389%0.89181%0.809SS**PPolyproline II helixtrans-92162.5174.8-119-171.9171.4175.60111.5
41P36.5Very low33.7Very low122 Ų122139 Ų13979%0.79282%0.815SS**PPolyproline II helixtrans-92.4144.9-167.236-31.7000114.2
42A31.7Very low33.5Very low106 Ų106133.4 Ų133.488%0.87681%0.811SS**  trans-105.6140.3157.900000106.5
43G30Very low33.2Very low84 Ų84130.1 Ų130.187%0.86681%0.807SS**  cis134119.242.800000104.3
44R30.1Very low33.2Very low241 Ų241132.1 Ų132.191%0.90982%0.816SS**  trans-112126.1-171.9-179165.9178.5163.9-2.5108.5
45E27.8Very low33.2Very low198 Ų198133.4 Ų133.493%0.92582%0.817SS**  trans-135.6156.6169.7-73.5-173.2129.400110.8
46V32.1Very low33Very low114 Ų114134 Ų13469%0.69182%0.819SS**  trans-127165.9-151.8-169.10000111
47E28.4Very low32.7Very low155 Ų155133.1 Ų133.172%0.72482%0.816SS**  trans100.8153.4154.2-68.2-63.6117.900118.2
48P39.1Very low32.7Very low120 Ų120134.5 Ų134.578%0.77982%0.82SS**  cis-135.1177.28.826.6-1.3000118.3
49A32.4Very low31.9Very low82 Ų82133.6 Ų133.668%0.67882%0.824SS**  trans-65.4177.617900000117.8
50P34.1Very low32.1Very low119 Ų119131.9 Ų131.977%0.77382%0.821SS**  -147.4140.199.438.9-21.8000114.7
51V28.9Very low32.1Very low151 Ų151128.3 Ų128.392%0.91582%0.818SS**  86.3132.988.698.40000116.9
52G27.5Very low31.9Very low73 Ų73125.8 Ų125.875%0.75382%0.815SS**  trans121.191.5161.300000114.1
53G28.8Very low32.3Very low75 Ų75127.2 Ų127.277%0.77382%0.815SS**  98.7140.710100000109
54E29.9Very low32.6Very low199 Ų199126 Ų12693%0.9380%0.803SS**  cis-165.7152.523.6-38.7179.2121.900107.8
55H32.8Very low33Very low184 Ų184124.7 Ų124.785%0.85280%0.804SS**  trans-93.2157.1172.5-105.6-95.7000110.6
56P34.9Very low33.8Very low122 Ų122124.3 Ų124.379%0.79280%0.801SS**  -146.5175.8105.636.7-20.6000111
57S30.3Very low34.2Very low118 Ų118127.5 Ų127.583%0.82581%0.806SS**  cis-164.7151.8-26.9176.30000104.1
58A32.2Very low35.4Very low97 Ų97129.3 Ų129.380%0.80281%0.812SS**  trans-75.8157.3-169.400000115.4
59A31Very low35.9Very low107 Ų107134 Ų13488%0.88481%0.814SS**  trans-141140.4149.400000109.5
60A37.7Very low36.6Very low98 Ų98140.8 Ų140.881%0.8182%0.822SS**  trans-98.9-156.3-15500000114.6
61P38.3Very low37.6Very low129 Ų129139.1 Ų139.184%0.83883%0.827SS**  -113.2157.7-116.130.3-9.4000115.3
62G31.8Very low38.9Very low69 Ų69136 Ų13671%0.71182%0.816SS**  trans-111.2149.9171.700000112.8
63P40.9Very low40.4Very low137 Ų137139.5 Ų139.589%0.8982%0.823SS**  trans-78.1144.2-160.332-34.7000113.5
64G35.6Very low42.2Very low59 Ų59147.3 Ų147.361%0.60883%0.83SS**  trans-68.9153.4-173.200000115.9
65K38.6Very low44.1Very low212 Ų212145.8 Ų145.892%0.92282%0.822SS**  trans-134.276144.9-68.8-172.4-178.1178.70108.6K67K65-K67 VanDerWaalsContact C-N 3.35Å; K65-K67 PolarHBondContact O-N 3.41Å
66H44.1Very low46.1Very low190 Ų190147.7 Ų147.788%0.8882%0.822SS**  trans-76.888.2168-72.2-70.7000109.6K68H66-K68 PolarHBondContact O-N 3.46Å
67K41.8Very low48.1Very low181 Ų181147.6 Ų147.679%0.78782%0.819SS**  trans-84.491.7158.1-164.8160.8-176.8165.60108K65 R69K65-K67 VanDerWaalsContact C-N 3.35Å; K65-K67 PolarHBondContact O-N 3.41Å; K67-R69 HydrophobicContact CG-CG 4.09Å; K67-R69 PolarHBondContact O-N 3.26Å
68K52.8Low50.4Low194 Ų194147.1 Ų147.184%0.84381%0.811SS**  trans-6095.4167.1-168.6173.5-172.4173.30108.1H66H66-K68 PolarHBondContact O-N 3.46Å
69R49.2Very low52.7Low217 Ų217147 Ų14782%0.81980%0.802SS**  trans-97.4108.2162.9-65.8-167.680.1-175.82.2108.1K67K67-R69 HydrophobicContact CG-CG 4.09Å; K67-R69 PolarHBondContact O-N 3.26Å
70R48Very low54.9Low225 Ų225147.1 Ų147.185%0.84979%0.793SS**  trans-50.7158.2170-68.1166.7138.4-114.4-1.4111
71G53.9Low56.8Low85 Ų85148.6 Ų148.688%0.87680%0.795SS**  trans-32.4132.1-17400000116.4
72A55.9Low58.6Low85 Ų85151.6 Ų151.670%0.70280%0.795SS**  trans-131127.4152.400000105.1R74A72-R74 PolarHBondContact O-N 3.23Å
73T60.5Low60.4Low146 Ų146158.2 Ų158.290%0.89680%0.804SS**  trans-41.5104.3169.7-57.50000108.3E75T73-E75 PolarHBondContact O-N 3.02Å
74R65.5Low61.7Low240 Ų240159.4 Ų159.491%0.90679%0.791SS**  trans-71.290.8173.7-75.5-172.4171.4-161.1-1.9105.5A72 R76A72-R74 PolarHBondContact O-N 3.23Å; R74-R76 PolarHBondContact O-N 3.43Å
75E69.8Low63.3Low167 Ų167166.8 Ų166.878%0.7880%0.8SS**  trans-53.3115.4165.4-170.4169.9-165.600106.3T73 V77T73-E75 PolarHBondContact O-N 3.02Å; E75-V77 PolarHBondContact O-N 2.93Å
76R74.3Confident64.5Low224 Ų224164 Ų16485%0.84580%0.802SS**  trans-70.387.4-176.5-176.1-173.4-179-148.92.1106.8R74 V78R74-R76 PolarHBondContact O-N 3.43Å; R76-V78 PolarHBondContact O-N 3.1Å
77V78.1Confident65.6Low119 Ų119158.5 Ų158.572%0.72180%0.795SS**  trans-63.2104.8173.2178.70000107.1E75 P79E75-V77 PolarHBondContact O-N 2.93Å; V77-P79 VanDerWaalsContact O-CD 3.3Å; V77-P79 WeakPolarHBondContact O-CD 3.44Å
78V79.3Confident66.8Low109 Ų109155.8 Ų155.866%0.66179%0.794SS**  trans-72.9114.3169.2179.40000106R76R76-V78 PolarHBondContact O-N 3.1Å
79P78.7Confident67.5Low94 Ų94149.7 Ų149.761%0.6178%0.776SS**PPolyproline II helixtrans-59.6141.8179.622.6-30.7000109.5V77V77-P79 VanDerWaalsContact O-CD 3.3Å; V77-P79 WeakPolarHBondContact O-CD 3.44Å
80P79.1Confident68.6Low109 Ų109145.3 Ų145.371%0.70876%0.763SS**PPolyproline II helixtrans-57.1140.9-178.222.1-32.2000110.3K82P80-K82 PolarHBondContact O-N 2.76Å
81P76.7Confident69.9Low130 Ų130136.3 Ų136.384%0.84474%0.741SS**PPolyproline II helixtrans-57.5117.5-17720.1-29.7000109.9
82K75.9Confident71Confident192 Ų192139.3 Ų139.384%0.83574%0.737SS**PPolyproline II helixtrans-65.6135.4176.8-68.8179.8-179.7176.10108.8P80 R84P80-K82 PolarHBondContact O-N 2.76Å; K82-R84 PolarHBondContact O-N 3.36Å
83K70.8Confident72.2Confident207 Ų207143.9 Ų143.990%0.974%0.743SS**PPolyproline II helixtrans-53.9124.1173.7-70.5-177.6179.4-178.50109.1
84R67.4Low72.9Confident163 Ų163142.3 Ų142.362%0.61573%0.725SS**PPolyproline II helixtrans-62.4139.4176.6-63.417869.1-148.34.1108.5K82 T86 S89K82-R84 PolarHBondContact O-N 3.36Å; R84-T86 PolarHBondContact O-N 3.15Å; R84-S89 PolarHBondContact NH2-OG 3.31Å
85R69.8Low73.4Confident213 Ų213136 Ų13680%0.80471%0.705SS**PPolyproline II helixtrans-69.2117.6172.5-65.2-175-178.8-165.40.5108.2G87R85-G87 PolarHBondContact O-N 3.34Å
86T63.8Low74Confident155 Ų155131.9 Ų131.995%0.95170%0.699SS**THydrogen-bonded Turntrans-71.412.9-169.600000115.9R84R84-T86 PolarHBondContact O-N 3.15Å
87G67Low74.3Confident73 Ų73129.6 Ų129.675%0.75370%0.698SS**THydrogen-bonded Turntrans-136.84.6-176.100000116R85R85-G87 PolarHBondContact O-N 3.34Å
88V65.5Low74.7Confident125 Ų125126.7 Ų126.776%0.75868%0.681SS**SBendtrans-131.928.7-176.5-162.90000110.8
89S68.2Low75.2Confident66 Ų66125 Ų12546%0.46267%0.674SS.*SBendtrans-151157.5-176.4-91.60000110.3R84 G91R84-S89 PolarHBondContact NH2-OG 3.31Å; S89-G91 PolarHBondContact O-N 3.49Å
90F72.4Confident75.9Confident124 Ų124126.4 Ų126.454%0.54467%0.668SS.*  trans-50.4101.6165.5-53.4-76.9000108.9H94 F95F90-H94 HydrophobicContact CB-CB 4.15Å; F90-H94 HydrophobicContact CD1-CB 4.45Å; F90-H94 AromaticContact CD1-CD2 3.69Å; F90-H94 AromaticContact CD1-CE1 3.72Å; F90-H94 AromaticContact CD1-CG 3.71Å; F90-H94 AromaticContact CD1-ND1 3.74Å; F90-H94 AromaticContact CD1-NE2 3.66Å; F90-H94 AromaticContact CE1-CE1 3.96Å; F90-H94 AromaticContact CE1-NE2 3.95Å; F90-F95 HydrophobicContact CB-CE2 3.83Å; F90-F95 HydrophobicContact CB-CZ 3.74Å
91G76.4Confident76.7Confident37 Ų37125 Ų12538%0.38165%0.649SS.*  trans-83.8-178176.500000111.2S89 E93 H94 F95S89-G91 PolarHBondContact O-N 3.49Å; G91-E93 VanDerWaalsContact C-N 3.27Å; G91-E93 PolarHBondContact O-N 2.72Å; G91-H94 VanDerWaalsContact O-CB 3.28Å; G91-H94 WeakPolarHBondContact O-CB 3.45Å; G91-H94 PolarHBondContact O-N 3.05Å; G91-F95 VanDerWaalsContact O-CD2 3.3Å; G91-F95 WeakPolarHBondContact O-CD2 3.48Å
92D75.8Confident77.5Confident148 Ų148125.2 Ų125.279%0.79164%0.637SS**G310 helixtrans-61.2-36.3-176.8-64.3-30.6000112.5H94 F95 A96D92-H94 PolarHBondContact O-N 3.05Å; D92-F95 PolarHBondContact O-N 3.03Å; D92-A96 PolarHBondContact O-N 3.5Å; D92-A96 VanDerWaalsContact O-N 3.12Å
93E80.6Confident78.5Confident180 Ų180120.8 Ų120.884%0.84162%0.619SS**G310 helixtrans-49.5-41.5170.7-66.1-85.9141.400112.2G91 F95 A96G91-E93 VanDerWaalsContact C-N 3.27Å; G91-E93 PolarHBondContact O-N 2.72Å; E93-F95 PolarHBondContact O-N 3.31Å; E93-A96 WeakPolarHBondContact O-CB 3.43Å; E93-A96 PolarHBondContact O-N 3.02Å
94H76.4Confident79.8Confident113 Ų113115 Ų11552%0.52362%0.618SS.*G310 helixtrans-72.5-17.5-175.5-136.8-60.7000113.1F90 G91 D92F90-H94 HydrophobicContact CB-CB 4.15Å; F90-H94 HydrophobicContact CD1-CB 4.45Å; F90-H94 AromaticContact CD1-CD2 3.69Å; F90-H94 AromaticContact CD1-CE1 3.72Å; F90-H94 AromaticContact CD1-CG 3.71Å; F90-H94 AromaticContact CD1-ND1 3.74Å; F90-H94 AromaticContact CD1-NE2 3.66Å; F90-H94 AromaticContact CE1-CE1 3.96Å; F90-H94 AromaticContact CE1-NE2 3.95Å; G91-H94 VanDerWaalsContact O-CB 3.28Å; G91-H94 WeakPolarHBondContact O-CB 3.45Å; G91-H94 PolarHBondContact O-N 3.05Å; D92-H94 PolarHBondContact O-N 3.05Å
95F75.3Confident81.1Confident107 Ų107110.7 Ų110.747%0.46963%0.625SS.*G310 helixtrans-105.8-3.4176.9-60.6-68.2000112.5F90 G91 D92 E93 E97 T98F90-F95 HydrophobicContact CB-CE2 3.83Å; F90-F95 HydrophobicContact CB-CZ 3.74Å; G91-F95 VanDerWaalsContact O-CD2 3.3Å; G91-F95 WeakPolarHBondContact O-CD2 3.48Å; D92-F95 PolarHBondContact O-N 3.03Å; E93-F95 PolarHBondContact O-N 3.31Å; F95-E97 PolarHBondContact O-N 2.95Å; F95-T98 PolarHBondContact O-N 3.18Å; F95-T98 VanDerWaalsContact O-N 3.16Å
96A81.9Confident82.4Confident81 Ų81106.3 Ų106.367%0.66962%0.617SS**THydrogen-bonded Turntrans-63.2-23.2-17700000113D92 E93 T98D92-A96 PolarHBondContact O-N 3.5Å; D92-A96 VanDerWaalsContact O-N 3.12Å; E93-A96 WeakPolarHBondContact O-CB 3.43Å; E93-A96 PolarHBondContact O-N 3.02Å; A96-T98 PolarHBondContact O-N 2.97Å
97E81.3Confident83.8Confident176 Ų176106.8 Ų106.882%0.82260%0.601SS**THydrogen-bonded Turntrans-61.1-26.5176.3-62.3175.9-173.800113.2F95F95-E97 PolarHBondContact O-N 2.95Å
98T86.1Confident85.2Confident59 Ų59106.9 Ų106.936%0.36258%0.58SS.*SBendtrans-122115.1-172.3-56.80000112.1F95 A96 V109F95-T98 PolarHBondContact O-N 3.18Å; F95-T98 VanDerWaalsContact O-N 3.16Å; A96-T98 PolarHBondContact O-N 2.97Å; T98-V109 HydrophobicContact CG2-CB 4.17Å; T98-V109 HydrophobicContact CG2-CG1 3.34Å; T98-V109 HydrophobicContact CG2-CG2 3.77Å
99S90.8Very high86.5Confident72 Ų72104.4 Ų104.450%0.50357%0.565SS.*  trans-77.9133.6173.266.30000112R110S99-R110 PolarHBondContact O-N 2.85Å; S99-R110 WeakPolarHBondContact OG-CD 3.45Å
100Y93Very high87.8Confident125 Ų125107.8 Ų107.849%0.4957%0.568SS.*EExtended strand (participates in β ladder)trans-125.7161.8179.763.3-94.1000112.3F102 R107 K108Y100-F102 HydrophobicContact CD2-CD2 4.43Å; Y100-F102 AromaticContact CD2-CE2 3.97Å; Y100-F102 HydrophobicContact CD2-CE2 3.97Å; Y100-F102 HydrophobicContact CE2-CD2 4.42Å; Y100-F102 AromaticContact CE2-CE2 3.65Å; Y100-F102 HydrophobicContact CE2-CE2 3.65Å; Y100-F102 HydrophobicContact CE2-CZ 4.29Å; Y100-R107 HydrophobicContact CD2-CG 3.75Å; Y100-R107 HydrophobicContact CG-CG 3.98Å; Y100-K108 CarbonylContact C-O 3.57Å; Y100-K108 WeakPolarHBondContact CA-O 3.26Å; Y100-K108 VanDerWaalsContact CB-O 3.27Å; Y100-K108 WeakPolarHBondContact CB-O 3.39Å
101Y94.6Very high88.8Confident78 Ų78108.1 Ų108.131%0.30658%0.583SS.*EExtended strand (participates in β ladder)trans-140.1160.1172.566.4-78.7000110.1E103 R107 K108 R110Y101-E103 HydrophobicContact CD2-CB 4.35Å; Y101-E103 HydrophobicContact CE2-CB 4.14Å; Y101-R107 WeakPolarHBondContact O-CA 3.48Å; Y101-K108 HydrophobicContact CD1-CB 4.03Å; Y101-K108 HydrophobicContact CD2-CB 4.41Å; Y101-K108 HydrophobicContact CE1-CB 3.53Å; Y101-K108 HydrophobicContact CE2-CB 3.96Å; Y101-K108 HydrophobicContact CE2-CD 3.75Å; Y101-K108 HydrophobicContact CE2-CG 4.36Å; Y101-K108 HydrophobicContact CG-CB 4.44Å; Y101-K108 VanDerWaalsContact CZ-CB 3.49Å; Y101-K108 PolarHBondContact N-O 3.28Å; Y101-K108 PolarHBondContact O-N 3.21Å; Y101-K108 VanDerWaalsContact OH-CD 3.28Å; Y101-K108 WeakPolarHBondContact OH-CD 3.46Å; Y101-R110 HydrophobicContact CD1-CG 3.89Å; Y101-R110 HydrophobicContact CE1-CG 4.31Å
102F95.4Very high89.5Confident135 Ų135113.6 Ų113.659%0.59259%0.593SS**EExtended strand (participates in β ladder)trans-107.1134.7175.9-71.1-90.1000110.3Y100 L106 R107Y100-F102 HydrophobicContact CD2-CD2 4.43Å; Y100-F102 AromaticContact CD2-CE2 3.97Å; Y100-F102 HydrophobicContact CD2-CE2 3.97Å; Y100-F102 HydrophobicContact CE2-CD2 4.42Å; Y100-F102 AromaticContact CE2-CE2 3.65Å; Y100-F102 HydrophobicContact CE2-CE2 3.65Å; Y100-F102 HydrophobicContact CE2-CZ 4.29Å; F102-L106 VanDerWaalsContact CA-O 3.32Å; F102-L106 WeakPolarHBondContact CA-O 3.42Å; F102-R107 HydrophobicContact CD1-CB 4.04Å; F102-R107 HydrophobicContact CE1-CB 3.68Å; F102-R107 HydrophobicContact CE1-CG 4.16Å; F102-R107 HydrophobicContact CZ-CB 4.18Å; F102-R107 HydrophobicContact CZ-CG 4.16Å
103E96.9Very high90.1Very high100 Ų100117.2 Ų117.247%0.46760%0.597SS.*EExtended strand (participates in β ladder)trans-141.7123.1176-169.3-169.714100108.4Y101 G105 L106 K108Y101-E103 HydrophobicContact CD2-CB 4.35Å; Y101-E103 HydrophobicContact CE2-CB 4.14Å; E103-G105 PolarHBondContact O-N 3Å; E103-L106 PolarHBondContact N-O 2.84Å; E103-L106 PolarHBondContact O-N 3.11Å; E103-K108 HydrophobicContact CB-CD 4.32Å; E103-K108 IonicContact OE1-NZ 3.3Å; E103-K108 PolarHBondContact OE1-NZ 3.23Å; E103-K108 WeakPolarHBondContact OE2-CE 3.1Å; E103-K108 IonicContact OE2-NZ 3.05Å; E103-K108 PolarHBondContact OE2-NZ 3.36Å
104G96.4Very high90.6Very high85 Ų85114.4 Ų114.488%0.87658%0.582SS**THydrogen-bonded Turntrans58.529.2-176.600000114.2L106G104-L106 VanDerWaalsContact C-N 3.28Å; G104-L106 PolarHBondContact O-N 3.17Å
105G96.3Very high91.3Very high73 Ų73114.3 Ų114.375%0.75359%0.586SS**THydrogen-bonded Turntrans79.21.3-176.300000115.2E103E103-G105 PolarHBondContact O-N 3Å
106L96.1Very high92.2Very high121 Ų121118.1 Ų118.163%0.63460%0.602SS**EExtended strand (participates in β ladder)trans-100.8135.8177.1-67.8158000110.7F102 E103 G104F102-L106 VanDerWaalsContact CA-O 3.32Å; F102-L106 WeakPolarHBondContact CA-O 3.42Å; E103-L106 PolarHBondContact N-O 2.84Å; E103-L106 PolarHBondContact O-N 3.11Å; G104-L106 VanDerWaalsContact C-N 3.28Å; G104-L106 PolarHBondContact O-N 3.17Å
107R94.3Very high92.8Very high164 Ų164124.4 Ų124.462%0.61961%0.609SS**EExtended strand (participates in β ladder)trans-82.7122.2173.9-170.5175.769.61753110.2Y100 Y101 F102Y100-R107 HydrophobicContact CD2-CG 3.75Å; Y100-R107 HydrophobicContact CG-CG 3.98Å; Y101-R107 WeakPolarHBondContact O-CA 3.48Å; F102-R107 HydrophobicContact CD1-CB 4.04Å; F102-R107 HydrophobicContact CE1-CB 3.68Å; F102-R107 HydrophobicContact CE1-CG 4.16Å; F102-R107 HydrophobicContact CZ-CB 4.18Å; F102-R107 HydrophobicContact CZ-CG 4.16Å
108K94.6Very high93.4Very high75 Ų75120.4 Ų120.433%0.32660%0.596SS.*EExtended strand (participates in β ladder)trans-115.6145.1177.5-63.4-176.6-178.4-179.10110.5Y100 Y101 E103Y100-K108 CarbonylContact C-O 3.57Å; Y100-K108 WeakPolarHBondContact CA-O 3.26Å; Y100-K108 VanDerWaalsContact CB-O 3.27Å; Y100-K108 WeakPolarHBondContact CB-O 3.39Å; Y101-K108 HydrophobicContact CD1-CB 4.03Å; Y101-K108 HydrophobicContact CD2-CB 4.41Å; Y101-K108 HydrophobicContact CE1-CB 3.53Å; Y101-K108 HydrophobicContact CE2-CB 3.96Å; Y101-K108 HydrophobicContact CE2-CD 3.75Å; Y101-K108 HydrophobicContact CE2-CG 4.36Å; Y101-K108 HydrophobicContact CG-CB 4.44Å; Y101-K108 VanDerWaalsContact CZ-CB 3.49Å; Y101-K108 PolarHBondContact N-O 3.28Å; Y101-K108 PolarHBondContact O-N 3.21Å; Y101-K108 VanDerWaalsContact OH-CD 3.28Å; Y101-K108 WeakPolarHBondContact OH-CD 3.46Å; E103-K108 HydrophobicContact CB-CD 4.32Å; E103-K108 IonicContact OE1-NZ 3.3Å; E103-K108 PolarHBondContact OE1-NZ 3.23Å; E103-K108 WeakPolarHBondContact OE2-CE 3.1Å; E103-K108 IonicContact OE2-NZ 3.05Å; E103-K108 PolarHBondContact OE2-NZ 3.36Å
109V94.7Very high93.8Very high73 Ų73127.8 Ų127.844%0.44262%0.619SS.*EExtended strand (participates in β ladder)trans-86.7138.3171.91740000108.5T98 Y112T98-V109 HydrophobicContact CG2-CB 4.17Å; T98-V109 HydrophobicContact CG2-CG1 3.34Å; T98-V109 HydrophobicContact CG2-CG2 3.77Å; V109-Y112 HydrophobicContact CG1-CD1 3.81Å; V109-Y112 HydrophobicContact CG1-CE1 3.74Å
110R93.5Very high94Very high137 Ų137127.8 Ų127.852%0.51762%0.618SS.*PPolyproline II helixtrans-66.5143.4174.1-68-168.3175.8-91.4-0.2109.9S99 Y101 Y112S99-R110 PolarHBondContact O-N 2.85Å; S99-R110 WeakPolarHBondContact OG-CD 3.45Å; Y101-R110 HydrophobicContact CD1-CG 3.89Å; Y101-R110 HydrophobicContact CE1-CG 4.31Å; R110-Y112 WeakPolarHBondContact O-CD1 3.5Å; R110-Y112 PolarHBondContact O-N 3.3Å
111P94.8Very high94.1Very high131 Ų131126 Ų12685%0.85161%0.613SS**PPolyproline II helixtrans-51.4134.3173.8-25.934.5000111
112Y90.2Very high94.2Very high153 Ų153125.3 Ų125.360%0.663%0.63SS**  trans-145.6155.8-176.668.7-79.3000110.7V109 R110 F114V109-Y112 HydrophobicContact CG1-CD1 3.81Å; V109-Y112 HydrophobicContact CG1-CE1 3.74Å; R110-Y112 WeakPolarHBondContact O-CD1 3.5Å; R110-Y112 PolarHBondContact O-N 3.3Å; Y112-F114 HydrophobicContact CD2-CB 4.35Å; Y112-F114 HydrophobicContact CE2-CB 3.88Å; Y112-F114 HydrophobicContact CE2-CD2 4.01Å; Y112-F114 HydrophobicContact CE2-CG 4.36Å
113Y89.8Confident94.3Very high224 Ų224125.5 Ų125.588%0.87863%0.627SS**  trans-84135.9167.6-65.5-67.9000109.2
114F90.2Very high94.3Very high121 Ų121121.4 Ų121.453%0.53161%0.607SS.*  trans-115.4130.7176.4-176.4-104.9000110.5Y112 F116Y112-F114 HydrophobicContact CD2-CB 4.35Å; Y112-F114 HydrophobicContact CE2-CB 3.88Å; Y112-F114 HydrophobicContact CE2-CD2 4.01Å; Y112-F114 HydrophobicContact CE2-CG 4.36Å; F114-F116 AromaticContact CD1-CD1 3.87Å; F114-F116 HydrophobicContact CD1-CD1 3.87Å; F114-F116 HydrophobicContact CD1-CD2 4.08Å; F114-F116 AromaticContact CD1-CE1 3.75Å; F114-F116 HydrophobicContact CD1-CE1 3.75Å; F114-F116 AromaticContact CD1-CE2 3.97Å; F114-F116 HydrophobicContact CD1-CE2 3.97Å; F114-F116 HydrophobicContact CD1-CG 4.04Å; F114-F116 AromaticContact CD1-CZ 3.81Å; F114-F116 HydrophobicContact CD1-CZ 3.81Å; F114-F116 AromaticContact CE1-CD1 3.74Å; F114-F116 HydrophobicContact CE1-CD1 3.74Å; F114-F116 AromaticContact CE1-CE1 3.87Å; F114-F116 HydrophobicContact CE1-CE1 3.87Å; F114-F116 HydrophobicContact CE1-CG 4.17Å; F114-F116 HydrophobicContact CE1-CZ 4.4Å
115D91.8Very high94.3Very high110 Ų110120.4 Ų120.459%0.58858%0.584SS**  trans-89.3108.3176.3-66.3-20.3000110R117D115-R117 PolarHBondContact O-N 3.01Å; D115-R117 IonicContact OD2-NH2 3.94Å
116F93.6Very high94.4Very high187 Ų187119.5 Ų119.582%0.8257%0.574SS**  trans-73.6116.4172.5-66.8-84.3000110.1F114F114-F116 AromaticContact CD1-CD1 3.87Å; F114-F116 HydrophobicContact CD1-CD1 3.87Å; F114-F116 HydrophobicContact CD1-CD2 4.08Å; F114-F116 AromaticContact CD1-CE1 3.75Å; F114-F116 HydrophobicContact CD1-CE1 3.75Å; F114-F116 AromaticContact CD1-CE2 3.97Å; F114-F116 HydrophobicContact CD1-CE2 3.97Å; F114-F116 HydrophobicContact CD1-CG 4.04Å; F114-F116 AromaticContact CD1-CZ 3.81Å; F114-F116 HydrophobicContact CD1-CZ 3.81Å; F114-F116 AromaticContact CE1-CD1 3.74Å; F114-F116 HydrophobicContact CE1-CD1 3.74Å; F114-F116 AromaticContact CE1-CE1 3.87Å; F114-F116 HydrophobicContact CE1-CE1 3.87Å; F114-F116 HydrophobicContact CE1-CG 4.17Å; F114-F116 HydrophobicContact CE1-CZ 4.4Å
117R94.5Very high94.5Very high214 Ų214117.5 Ų117.581%0.80856%0.561SS**  trans-114.3135176.7-60.6-178.4-171.5174.42.9110.3D115D115-R117 PolarHBondContact O-N 3.01Å; D115-R117 IonicContact OD2-NH2 3.94Å
118T94.5Very high94.6Very high91 Ų91110.9 Ų110.956%0.55854%0.54SS*.  trans-148.3148.6176.1-1630000109.8W124 F137T118-W124 HydrophobicContact CG2-CH2 4.39Å; T118-W124 HydrophobicContact CG2-CZ3 4.32Å; T118-F137 HydrophobicContact CG2-CZ 4.1Å
119Y94.9Very high94.7Very high214 Ų214108 Ų10884%0.83953%0.528SS*.PPolyproline II helixtrans-86.5147.4173.2-65.2-69000110.3K121Y119-K121 PolarHBondContact O-N 2.91Å
120C94.8Very high94.8Very high72 Ų72106.9 Ų106.949%0.48652%0.52SS..PPolyproline II helixtrans-62.5129.6172.8-72.10000109.9
121K95.1Very high95Very high87 Ų87104.1 Ų104.138%0.37851%0.512SS..PPolyproline II helixtrans-85.4149.1174.5-60.9-173.6-174.8169.30110Y119 R123 W124Y119-K121 PolarHBondContact O-N 2.91Å; K121-R123 HydrophobicContact CB-CG 4.21Å; K121-R123 VanDerWaalsContact CD-CZ 3.45Å; K121-R123 VanDerWaalsContact CD-NH1 3.34Å; K121-R123 VanDerWaalsContact NZ-NH2 3.11Å; K121-R123 PolarHBondContact O-N 2.84Å; K121-W124 HydrophobicContact CB-CD2 3.89Å; K121-W124 HydrophobicContact CB-CE3 4.34Å; K121-W124 HydrophobicContact CB-CG 4.12Å; K121-W124 HydrophobicContact CB-CZ2 4.47Å; K121-W124 HydrophobicContact CD-CH2 4.38Å; K121-W124 HydrophobicContact CD-CZ2 3.84Å; K121-W124 HydrophobicContact CG-CD2 4.26Å; K121-W124 HydrophobicContact CG-CE3 4.47Å; K121-W124 HydrophobicContact CG-CH2 4.19Å; K121-W124 HydrophobicContact CG-CZ2 4.01Å; K121-W124 HydrophobicContact CG-CZ3 4.43Å; K121-W124 WeakPolarHBondContact O-CB 3.21Å; K121-W124 PolarHBondContact O-N 3.02Å
122G96.7Very high95.1Very high64 Ų6498.1 Ų98.166%0.6647%0.473SS*.G310 helixtrans-55.5-37.7179.100000113.5W124 V125G122-W124 PolarHBondContact O-N 3.47Å; G122-V125 WeakPolarHBondContact O-CB 3.41Å; G122-V125 WeakPolarHBondContact O-CG2 3.36Å; G122-V125 PolarHBondContact O-N 3.42Å; G122-V125 VanDerWaalsContact O-N 3.17Å
123R96.7Very high95.4Very high140 Ų14092 Ų9253%0.52845%0.45SS..G310 helixtrans-67.8-11.2176.767.5170.3-175.7-95.68.6115K121 H127 E136K121-R123 HydrophobicContact CB-CG 4.21Å; K121-R123 VanDerWaalsContact CD-CZ 3.45Å; K121-R123 VanDerWaalsContact CD-NH1 3.34Å; K121-R123 VanDerWaalsContact NZ-NH2 3.11Å; K121-R123 PolarHBondContact O-N 2.84Å; R123-H127 PolarHBondContact O-CD2 3.19Å; R123-E136 IonicContact CZ-OE1 2.77Å; R123-E136 VanDerWaalsContact CZ-OE1 3.3Å; R123-E136 IonicContact CZ-OE2 2.68Å; R123-E136 IonicContact NE-OE1 3.77Å; R123-E136 PolarHBondContact NE-OE1 3.36Å; R123-E136 IonicContact NE-OE2 3.24Å; R123-E136 VanDerWaalsContact NH2-CD 3.32Å; R123-E136 IonicContact NH2-OE1 2.72Å; R123-E136 PolarHBondContact NH2-OE1 3.3Å; R123-E136 IonicContact NH2-OE2 3.93Å; R123-E136 PolarHBondContact NH2-OE2 2.68Å
124W97.3Very high95.7Very high14 Ų1484.7 Ų84.75%0.05343%0.431CS..G310 helixtrans-90.1-13176.8-58.7-16.3000112.1T118 K121 G122 G126 H127 V132 E136 F137 L168T118-W124 HydrophobicContact CG2-CH2 4.39Å; T118-W124 HydrophobicContact CG2-CZ3 4.32Å; K121-W124 HydrophobicContact CB-CD2 3.89Å; K121-W124 HydrophobicContact CB-CE3 4.34Å; K121-W124 HydrophobicContact CB-CG 4.12Å; K121-W124 HydrophobicContact CB-CZ2 4.47Å; K121-W124 HydrophobicContact CD-CH2 4.38Å; K121-W124 HydrophobicContact CD-CZ2 3.84Å; K121-W124 HydrophobicContact CG-CD2 4.26Å; K121-W124 HydrophobicContact CG-CE3 4.47Å; K121-W124 HydrophobicContact CG-CH2 4.19Å; K121-W124 HydrophobicContact CG-CZ2 4.01Å; K121-W124 HydrophobicContact CG-CZ3 4.43Å; K121-W124 WeakPolarHBondContact O-CB 3.21Å; K121-W124 PolarHBondContact O-N 3.02Å; G122-W124 PolarHBondContact O-N 3.47Å; W124-G126 PolarHBondContact O-N 2.77Å; W124-H127 WeakPolarHBondContact O-CB 3.33Å; W124-H127 PolarHBondContact O-N 2.92Å; W124-V132 HydrophobicContact CB-CG2 3.9Å; W124-V132 HydrophobicContact CD2-CG1 3.8Å; W124-V132 HydrophobicContact CD2-CG2 4.23Å; W124-V132 HydrophobicContact CE3-CG1 3.97Å; W124-V132 HydrophobicContact CG-CG1 4.28Å; W124-V132 HydrophobicContact CG-CG2 3.88Å; W124-V132 HydrophobicContact CH2-CG1 4.3Å; W124-V132 HydrophobicContact CZ2-CG1 4.11Å; W124-V132 HydrophobicContact CZ3-CG1 4.22Å; W124-E136 HydrophobicContact CZ2-CB 4.24Å; W124-E136 HydrophobicContact CZ2-CG 4.06Å; W124-E136 PolarHBondContact NE1-OE1 3.22Å; W124-F137 AromaticContact CH2-CE2 3.74Å; W124-F137 HydrophobicContact CH2-CE2 3.74Å; W124-F137 AromaticContact CH2-CZ 3.7Å; W124-F137 HydrophobicContact CH2-CZ 3.7Å; W124-F137 HydrophobicContact CZ2-CE2 4.08Å; W124-F137 HydrophobicContact CZ2-CZ 4.28Å; W124-F137 HydrophobicContact CZ3-CE2 4.44Å; W124-L168 HydrophobicContact CB-CD1 3.84Å; W124-L168 HydrophobicContact CE3-CD1 4.39Å
125V96.9Very high95.9Very high64 Ų6482.4 Ų82.439%0.38843%0.427SS..THydrogen-bonded Turntrans-60.2133.91761770000109.2G122 H127 V170G122-V125 WeakPolarHBondContact O-CB 3.41Å; G122-V125 WeakPolarHBondContact O-CG2 3.36Å; G122-V125 PolarHBondContact O-N 3.42Å; G122-V125 VanDerWaalsContact O-N 3.17Å; V125-H127 VanDerWaalsContact C-N 3.26Å; V125-H127 PolarHBondContact O-N 3.18Å; V125-V170 HydrophobicContact CG1-CG2 4.15Å; V125-V170 HydrophobicContact CG2-CG2 3.83Å
126G96.9Very high96.1Very high53 Ų5380.6 Ų80.655%0.54642%0.415SS..THydrogen-bonded Turntrans83.5-6.4-175.300000114.3W124 L168W124-G126 PolarHBondContact O-N 2.77Å; G126-L168 PolarHBondContact N-O 3.29Å
127H98Very high96.1Very high79 Ų7974.8 Ų74.837%0.36639%0.39SS..SBendtrans-102.3151.6173.9-68.1-70.7000112.1R123 W124 V125 H131 V132 L168R123-H127 PolarHBondContact O-CD2 3.19Å; W124-H127 WeakPolarHBondContact O-CB 3.33Å; W124-H127 PolarHBondContact O-N 2.92Å; V125-H127 VanDerWaalsContact C-N 3.26Å; V125-H127 PolarHBondContact O-N 3.18Å; H127-H131 HydrophobicContact CB-CB 4.34Å; H127-H131 AromaticContact CE1-NE2 3.82Å; H127-H131 AromaticContact CG-CD2 3.55Å; H127-H131 AromaticContact ND1-CD2 3.34Å; H127-H131 PolarHBondContact ND1-CD2 2.98Å; H127-H131 VanDerWaalsContact ND1-CD2 3.34Å; H127-H131 AromaticContact ND1-CG 3.92Å; H127-H131 AromaticContact ND1-NE2 3.61Å; H127-V132 HydrophobicContact CB-CG2 4.33Å; H127-L168 PolarHBondContact O-N 3.06Å
128S97.8Very high96Very high26 Ų2675.7 Ų75.718%0.18239%0.393CS..BIsolated β-bridgetrans-76.1156.1173.665.30000112L130 H131 V132 I166S128-L130 PolarHBondContact O-N 2.84Å; S128-H131 WeakPolarHBondContact O-CB 3.46Å; S128-H131 PolarHBondContact O-N 3.47Å; S128-H131 VanDerWaalsContact O-N 3.1Å; S128-H131 PolarHBondContact OG-N 2.95Å; S128-V132 WeakPolarHBondContact O-CG2 3.34Å; S128-V132 PolarHBondContact O-N 2.94Å; S128-I166 CarbonylContact C-O 3.52Å; S128-I166 WeakPolarHBondContact CA-O 3.28Å
129L97Very high95.9Very high13 Ų1375.3 Ų75.37%0.06840%0.4CS..Hα-helixtrans-55.7-38.6171.2-72.1173.7000111.6H131 V132 F133 L154 V161 L164 I166 L168L129-H131 VanDerWaalsContact C-N 3.34Å; L129-H131 PolarHBondContact O-N 3.42Å; L129-V132 PolarHBondContact O-N 3.23Å; L129-F133 HydrophobicContact CB-CD2 4.28Å; L129-F133 HydrophobicContact CB-CE2 4.04Å; L129-F133 HydrophobicContact CD2-CE2 4.36Å; L129-F133 WeakPolarHBondContact O-CD2 3.18Å; L129-F133 WeakPolarHBondContact O-CG 3.3Å; L129-F133 PolarHBondContact O-N 3.34Å; L129-L154 HydrophobicContact CD1-CD2 4.36Å; L129-V161 HydrophobicContact CD1-CG1 3.9Å; L129-V161 HydrophobicContact CD1-CG2 4.1Å; L129-L164 HydrophobicContact CB-CD2 4.24Å; L129-L164 WeakPolarHBondContact CB-O 3.3Å; L129-L164 PolarHBondContact N-O 2.87Å; L129-I166 HydrophobicContact CD1-CB 4.35Å; L129-I166 PolarHBondContact N-O 3.17Å; L129-L168 HydrophobicContact CD2-CD1 4.24Å; L129-L168 HydrophobicContact CD2-CD2 3.9Å; L129-L168 HydrophobicContact CD2-CG 4.28Å; L129-L168 HydrophobicContact CG-CD2 4.37Å
130L96.8Very high95.9Very high51 Ų5169.4 Ų69.427%0.26738%0.38SS..Hα-helixtrans-54.8-49.4174.6-165.285.9000111.3S128 F133 S134 L142 L164S128-L130 PolarHBondContact O-N 2.84Å; L130-F133 PolarHBondContact O-N 3.19Å; L130-S134 WeakPolarHBondContact O-CB 3.4Å; L130-S134 PolarHBondContact O-N 3.38Å; L130-S134 PolarHBondContact O-OG 3.33Å; L130-L142 HydrophobicContact CD1-CD1 3.88Å; L130-L142 HydrophobicContact CD1-CD2 3.74Å; L130-L142 HydrophobicContact CD1-CG 3.99Å; L130-L142 HydrophobicContact CG-CD1 4.26Å; L130-L142 HydrophobicContact CG-CD2 4.12Å; L130-L164 HydrophobicContact CB-CB 3.98Å; L130-L164 HydrophobicContact CD1-CB 3.77Å; L130-L164 HydrophobicContact CD1-CD1 3.81Å; L130-L164 HydrophobicContact CD1-CG 4.46Å; L130-L164 PolarHBondContact N-O 3.22Å
131H97.1Very high96Very high79 Ų7970.1 Ų70.137%0.36638%0.383SS..Hα-helixtrans-62.3-46.3178.7-17778.6000111.2H127 S128 L129 S134 T135H127-H131 HydrophobicContact CB-CB 4.34Å; H127-H131 AromaticContact CE1-NE2 3.82Å; H127-H131 AromaticContact CG-CD2 3.55Å; H127-H131 AromaticContact ND1-CD2 3.34Å; H127-H131 PolarHBondContact ND1-CD2 2.98Å; H127-H131 VanDerWaalsContact ND1-CD2 3.34Å; H127-H131 AromaticContact ND1-CG 3.92Å; H127-H131 AromaticContact ND1-NE2 3.61Å; S128-H131 WeakPolarHBondContact O-CB 3.46Å; S128-H131 PolarHBondContact O-N 3.47Å; S128-H131 VanDerWaalsContact O-N 3.1Å; S128-H131 PolarHBondContact OG-N 2.95Å; L129-H131 VanDerWaalsContact C-N 3.34Å; L129-H131 PolarHBondContact O-N 3.42Å; H131-S134 PolarHBondContact O-N 3.35Å; H131-S134 PolarHBondContact O-OG 3.37Å; H131-T135 WeakPolarHBondContact O-CG2 3.48Å; H131-T135 PolarHBondContact O-N 2.88Å; H131-T135 VanDerWaalsContact O-N 3.15Å; H131-T135 PolarHBondContact O-OG1 2.9Å
132V97.3Very high96Very high4 Ų468.8 Ų68.82%0.02438%0.38CS..Hα-helixtrans-61.4-46.4179.2173.80000111.4W124 H127 S128 L129 S134 T135 E136 F137 L168W124-V132 HydrophobicContact CB-CG2 3.9Å; W124-V132 HydrophobicContact CD2-CG1 3.8Å; W124-V132 HydrophobicContact CD2-CG2 4.23Å; W124-V132 HydrophobicContact CE3-CG1 3.97Å; W124-V132 HydrophobicContact CG-CG1 4.28Å; W124-V132 HydrophobicContact CG-CG2 3.88Å; W124-V132 HydrophobicContact CH2-CG1 4.3Å; W124-V132 HydrophobicContact CZ2-CG1 4.11Å; W124-V132 HydrophobicContact CZ3-CG1 4.22Å; H127-V132 HydrophobicContact CB-CG2 4.33Å; S128-V132 WeakPolarHBondContact O-CG2 3.34Å; S128-V132 PolarHBondContact O-N 2.94Å; L129-V132 PolarHBondContact O-N 3.23Å; V132-S134 VanDerWaalsContact C-N 3.33Å; V132-S134 PolarHBondContact O-N 3.12Å; V132-T135 PolarHBondContact O-N 3.44Å; V132-T135 PolarHBondContact O-OG1 2.85Å; V132-E136 HydrophobicContact CG1-CB 4.5Å; V132-E136 HydrophobicContact CG1-CG 4.42Å; V132-E136 WeakPolarHBondContact O-CB 3.42Å; V132-E136 PolarHBondContact O-N 3.08Å; V132-F137 HydrophobicContact CG1-CD2 4.17Å; V132-F137 HydrophobicContact CG1-CE2 3.83Å; V132-L168 HydrophobicContact CG2-CD1 4.1Å
133F96.6Very high96Very high25 Ų2568.6 Ų68.611%0.1137%0.372CS..Hα-helixtrans-64.1-37.9177.9-72.8-51.4000112.6L129 L130 T135 F137 L142 Y145 L154 L164L129-F133 HydrophobicContact CB-CD2 4.28Å; L129-F133 HydrophobicContact CB-CE2 4.04Å; L129-F133 HydrophobicContact CD2-CE2 4.36Å; L129-F133 WeakPolarHBondContact O-CD2 3.18Å; L129-F133 WeakPolarHBondContact O-CG 3.3Å; L129-F133 PolarHBondContact O-N 3.34Å; L130-F133 PolarHBondContact O-N 3.19Å; F133-T135 VanDerWaalsContact C-N 3.31Å; F133-T135 PolarHBondContact O-N 2.89Å; F133-F137 HydrophobicContact CD1-CB 4.19Å; F133-F137 AromaticContact CD1-CD2 3.71Å; F133-F137 HydrophobicContact CD1-CD2 3.71Å; F133-F137 HydrophobicContact CD1-CE2 4.4Å; F133-F137 HydrophobicContact CD1-CG 4.12Å; F133-F137 HydrophobicContact CE1-CD2 4.1Å; F133-F137 HydrophobicContact CE1-CE2 4.39Å; F133-L142 HydrophobicContact CB-CD1 4.16Å; F133-Y145 HydrophobicContact CB-CD2 3.86Å; F133-Y145 HydrophobicContact CB-CE2 4.05Å; F133-Y145 HydrophobicContact CB-CG 4.22Å; F133-Y145 AromaticContact CD1-CD1 3.75Å; F133-Y145 HydrophobicContact CD1-CD1 3.75Å; F133-Y145 HydrophobicContact CD1-CD2 4.23Å; F133-Y145 AromaticContact CD1-CE1 3.57Å; F133-Y145 HydrophobicContact CD1-CE1 3.57Å; F133-Y145 HydrophobicContact CD1-CE2 4.05Å; F133-Y145 HydrophobicContact CD1-CG 4.08Å; F133-Y145 AromaticContact CD1-CZ 3.73Å; F133-Y145 HydrophobicContact CD2-CD1 4.22Å; F133-Y145 HydrophobicContact CD2-CG 4.09Å; F133-Y145 AromaticContact CE1-CD1 3.86Å; F133-Y145 HydrophobicContact CE1-CD1 3.86Å; F133-Y145 AromaticContact CE1-CE1 3.71Å; F133-Y145 HydrophobicContact CE1-CE1 3.71Å; F133-Y145 HydrophobicContact CE2-CD1 4.3Å; F133-Y145 AromaticContact CG-CD1 3.98Å; F133-Y145 HydrophobicContact CG-CD1 3.98Å; F133-Y145 AromaticContact CG-CD2 3.99Å; F133-Y145 HydrophobicContact CG-CD2 3.99Å; F133-Y145 HydrophobicContact CG-CE1 4.21Å; F133-Y145 HydrophobicContact CG-CE2 4.2Å; F133-Y145 AromaticContact CG-CG 3.87Å; F133-Y145 HydrophobicContact CG-CG 3.87Å; F133-Y145 HydrophobicContact CZ-CD1 4.16Å; F133-Y145 HydrophobicContact CZ-CE1 4.42Å; F133-L154 HydrophobicContact CE2-CD1 3.64Å; F133-L154 HydrophobicContact CE2-CD2 4.45Å; F133-L154 HydrophobicContact CZ-CD1 3.63Å; F133-L154 HydrophobicContact CZ-CD2 4.46Å; F133-L154 HydrophobicContact CZ-CG 4.45Å; F133-L164 HydrophobicContact CD2-CD2 3.9Å; F133-L164 HydrophobicContact CE2-CD2 3.8Å
134S95.3Very high96Very high70 Ų7066.5 Ų66.549%0.4937%0.365SS..Hα-helixtrans-68.1-27.9178.572.50000114.1L130 H131 V132L130-S134 WeakPolarHBondContact O-CB 3.4Å; L130-S134 PolarHBondContact O-N 3.38Å; L130-S134 PolarHBondContact O-OG 3.33Å; H131-S134 PolarHBondContact O-N 3.35Å; H131-S134 PolarHBondContact O-OG 3.37Å; V132-S134 VanDerWaalsContact C-N 3.33Å; V132-S134 PolarHBondContact O-N 3.12Å
135T95.3Very high95.9Very high73 Ų7367.1 Ų67.145%0.44837%0.368SS..Hα-helixtrans-105.1-41.6-169.950.60000113.1H131 V132 F133H131-T135 WeakPolarHBondContact O-CG2 3.48Å; H131-T135 PolarHBondContact O-N 2.88Å; H131-T135 VanDerWaalsContact O-N 3.15Å; H131-T135 PolarHBondContact O-OG1 2.9Å; V132-T135 PolarHBondContact O-N 3.44Å; V132-T135 PolarHBondContact O-OG1 2.85Å; F133-T135 VanDerWaalsContact C-N 3.31Å; F133-T135 PolarHBondContact O-N 2.89Å
136E95.7Very high95.9Very high72 Ų7267.9 Ų67.934%0.33637%0.367SS..Hα-helixtrans-98-32.3-171-62.8-86.8-173.800112.4R123 W124 V132R123-E136 IonicContact CZ-OE1 2.77Å; R123-E136 VanDerWaalsContact CZ-OE1 3.3Å; R123-E136 IonicContact CZ-OE2 2.68Å; R123-E136 IonicContact NE-OE1 3.77Å; R123-E136 PolarHBondContact NE-OE1 3.36Å; R123-E136 IonicContact NE-OE2 3.24Å; R123-E136 VanDerWaalsContact NH2-CD 3.32Å; R123-E136 IonicContact NH2-OE1 2.72Å; R123-E136 PolarHBondContact NH2-OE1 3.3Å; R123-E136 IonicContact NH2-OE2 3.93Å; R123-E136 PolarHBondContact NH2-OE2 2.68Å; W124-E136 HydrophobicContact CZ2-CB 4.24Å; W124-E136 HydrophobicContact CZ2-CG 4.06Å; W124-E136 PolarHBondContact NE1-OE1 3.22Å; V132-E136 HydrophobicContact CG1-CB 4.5Å; V132-E136 HydrophobicContact CG1-CG 4.42Å; V132-E136 WeakPolarHBondContact O-CB 3.42Å; V132-E136 PolarHBondContact O-N 3.08Å
137F93.9Very high95.9Very high65 Ų6566.9 Ų66.929%0.28535%0.354SS..  trans-109.782.9-171.7-64.9-81.8000112T118 W124 V132 F133 A139 Y145T118-F137 HydrophobicContact CG2-CZ 4.1Å; W124-F137 AromaticContact CH2-CE2 3.74Å; W124-F137 HydrophobicContact CH2-CE2 3.74Å; W124-F137 AromaticContact CH2-CZ 3.7Å; W124-F137 HydrophobicContact CH2-CZ 3.7Å; W124-F137 HydrophobicContact CZ2-CE2 4.08Å; W124-F137 HydrophobicContact CZ2-CZ 4.28Å; W124-F137 HydrophobicContact CZ3-CE2 4.44Å; V132-F137 HydrophobicContact CG1-CD2 4.17Å; V132-F137 HydrophobicContact CG1-CE2 3.83Å; F133-F137 HydrophobicContact CD1-CB 4.19Å; F133-F137 AromaticContact CD1-CD2 3.71Å; F133-F137 HydrophobicContact CD1-CD2 3.71Å; F133-F137 HydrophobicContact CD1-CE2 4.4Å; F133-F137 HydrophobicContact CD1-CG 4.12Å; F133-F137 HydrophobicContact CE1-CD2 4.1Å; F133-F137 HydrophobicContact CE1-CE2 4.39Å; F137-A139 VanDerWaalsContact C-N 3.29Å; F137-A139 PolarHBondContact O-N 3.24Å; F137-Y145 WeakPolarHBondContact CB-OH 3.28Å
138R91.8Very high95.8Very high233 Ų23363.4 Ų63.488%0.87934%0.338SS*.THydrogen-bonded Turntrans-83.72.3-175.8-59.2179.567.4167.92.2114.8
139A93.2Very high95.7Very high84 Ų8463 Ų6369%0.69434%0.335SS*.THydrogen-bonded Turntrans-75.9-26.4-175.500000113.2F137F137-A139 VanDerWaalsContact C-N 3.29Å; F137-A139 PolarHBondContact O-N 3.24Å
140Q94.8Very high95.7Very high89 Ų8971.1 Ų71.142%0.41637%0.365SS..SBendtrans-135.6148.4-179.3-66.7-63.5-60.200110.1Y144 Y145Q140-Y144 HydrophobicContact CB-CD1 3.73Å; Q140-Y144 HydrophobicContact CB-CE1 4.44Å; Q140-Y144 HydrophobicContact CB-CG 3.93Å; Q140-Y144 HydrophobicContact CG-CD1 3.86Å; Q140-Y144 HydrophobicContact CG-CE1 4.11Å; Q140-Y144 HydrophobicContact CG-CG 4.12Å; Q140-Y145 HydrophobicContact CB-CE2 3.98Å
141P95.8Very high95.6Very high87 Ų8771.8 Ų71.857%0.56538%0.377SS*.  trans-71160.717630.8-35.5000111.5A143 Y144P141-A143 VanDerWaalsContact C-N 3.26Å; P141-A143 PolarHBondContact O-N 3.02Å; P141-Y144 VanDerWaalsContact O-CB 3.26Å; P141-Y144 WeakPolarHBondContact O-CB 3.35Å; P141-Y144 PolarHBondContact O-N 3.41Å
142L95.2Very high95.5Very high60 Ų6069.8 Ų69.831%0.31438%0.378SS..Hα-helixtrans-57.5-38.2-178.3-161.964.3000113.2L130 F133 Y144 Y145 E146L130-L142 HydrophobicContact CD1-CD1 3.88Å; L130-L142 HydrophobicContact CD1-CD2 3.74Å; L130-L142 HydrophobicContact CD1-CG 3.99Å; L130-L142 HydrophobicContact CG-CD1 4.26Å; L130-L142 HydrophobicContact CG-CD2 4.12Å; F133-L142 HydrophobicContact CB-CD1 4.16Å; L142-Y144 PolarHBondContact O-N 3Å; L142-Y144 VanDerWaalsContact O-N 3.17Å; L142-Y145 PolarHBondContact O-N 3Å; L142-E146 PolarHBondContact O-N 3.34Å; L142-E146 VanDerWaalsContact O-N 3.11Å
143A96.3Very high95.5Very high60 Ų6076.7 Ų76.750%0.49640%0.403SS..Hα-helixtrans-57.6-29.917700000113.3P141 A147P141-A143 VanDerWaalsContact C-N 3.26Å; P141-A143 PolarHBondContact O-N 3.02Å; A143-A147 WeakPolarHBondContact O-CB 3.15Å; A143-A147 PolarHBondContact O-N 3.02Å
144Y96.8Very high95.4Very high95 Ų9576.6 Ų76.637%0.37340%0.404SS..Hα-helixtrans-65-44.1174.3173.6-91.6000111.1Q140 P141 L142 A147 A148Q140-Y144 HydrophobicContact CB-CD1 3.73Å; Q140-Y144 HydrophobicContact CB-CE1 4.44Å; Q140-Y144 HydrophobicContact CB-CG 3.93Å; Q140-Y144 HydrophobicContact CG-CD1 3.86Å; Q140-Y144 HydrophobicContact CG-CE1 4.11Å; Q140-Y144 HydrophobicContact CG-CG 4.12Å; P141-Y144 VanDerWaalsContact O-CB 3.26Å; P141-Y144 WeakPolarHBondContact O-CB 3.35Å; P141-Y144 PolarHBondContact O-N 3.41Å; L142-Y144 PolarHBondContact O-N 3Å; L142-Y144 VanDerWaalsContact O-N 3.17Å; Y144-A147 PolarHBondContact O-N 3.19Å; Y144-A148 WeakPolarHBondContact O-CB 3.47Å; Y144-A148 PolarHBondContact O-N 2.8Å
145Y96.4Very high95.5Very high27 Ų2779.3 Ų79.311%0.10641%0.409CS..Hα-helixtrans-68.5-38.1179.9-63.4-71.6000111.7F133 F137 Q140 L142 A147 A148 V149 L154F133-Y145 HydrophobicContact CB-CD2 3.86Å; F133-Y145 HydrophobicContact CB-CE2 4.05Å; F133-Y145 HydrophobicContact CB-CG 4.22Å; F133-Y145 AromaticContact CD1-CD1 3.75Å; F133-Y145 HydrophobicContact CD1-CD1 3.75Å; F133-Y145 HydrophobicContact CD1-CD2 4.23Å; F133-Y145 AromaticContact CD1-CE1 3.57Å; F133-Y145 HydrophobicContact CD1-CE1 3.57Å; F133-Y145 HydrophobicContact CD1-CE2 4.05Å; F133-Y145 HydrophobicContact CD1-CG 4.08Å; F133-Y145 AromaticContact CD1-CZ 3.73Å; F133-Y145 HydrophobicContact CD2-CD1 4.22Å; F133-Y145 HydrophobicContact CD2-CG 4.09Å; F133-Y145 AromaticContact CE1-CD1 3.86Å; F133-Y145 HydrophobicContact CE1-CD1 3.86Å; F133-Y145 AromaticContact CE1-CE1 3.71Å; F133-Y145 HydrophobicContact CE1-CE1 3.71Å; F133-Y145 HydrophobicContact CE2-CD1 4.3Å; F133-Y145 AromaticContact CG-CD1 3.98Å; F133-Y145 HydrophobicContact CG-CD1 3.98Å; F133-Y145 AromaticContact CG-CD2 3.99Å; F133-Y145 HydrophobicContact CG-CD2 3.99Å; F133-Y145 HydrophobicContact CG-CE1 4.21Å; F133-Y145 HydrophobicContact CG-CE2 4.2Å; F133-Y145 AromaticContact CG-CG 3.87Å; F133-Y145 HydrophobicContact CG-CG 3.87Å; F133-Y145 HydrophobicContact CZ-CD1 4.16Å; F133-Y145 HydrophobicContact CZ-CE1 4.42Å; F137-Y145 WeakPolarHBondContact CB-OH 3.28Å; Q140-Y145 HydrophobicContact CB-CE2 3.98Å; L142-Y145 PolarHBondContact O-N 3Å; Y145-A147 PolarHBondContact O-N 2.98Å; Y145-A148 WeakPolarHBondContact O-CB 3.28Å; Y145-A148 PolarHBondContact O-N 3.25Å; Y145-V149 WeakPolarHBondContact O-CG2 3.37Å; Y145-V149 PolarHBondContact O-N 2.96Å; Y145-L154 HydrophobicContact CD1-CD1 4.28Å
146E95.6Very high95.5Very high80 Ų8078 Ų7837%0.37440%0.399SS..Hα-helixtrans-60.8-44.6172-67.9176.8-17500111.7L142 A148 V149 R150 L164L142-E146 PolarHBondContact O-N 3.34Å; L142-E146 VanDerWaalsContact O-N 3.11Å; E146-A148 VanDerWaalsContact C-N 3.31Å; E146-A148 PolarHBondContact O-N 3.16Å; E146-V149 PolarHBondContact O-N 3.01Å; E146-R150 WeakPolarHBondContact O-CG 3.42Å; E146-R150 PolarHBondContact O-N 2.92Å; E146-L164 HydrophobicContact CG-CD1 3.77Å
147A96.4Very high95.5Very high33 Ų3380.1 Ų80.127%0.27341%0.413SS..Hα-helixtrans-64.4-36.5174.800000112A143 Y144 Y145 R150 A151A143-A147 WeakPolarHBondContact O-CB 3.15Å; A143-A147 PolarHBondContact O-N 3.02Å; Y144-A147 PolarHBondContact O-N 3.19Å; Y145-A147 PolarHBondContact O-N 2.98Å; A147-R150 PolarHBondContact O-N 3.01Å; A147-A151 VanDerWaalsContact O-CB 3.3Å; A147-A151 WeakPolarHBondContact O-CB 3.21Å; A147-A151 PolarHBondContact O-N 2.86Å
148A95.9Very high95.5Very high5 Ų585.7 Ų85.74%0.04144%0.44CS..Hα-helixtrans-66.1-38.6175.900000112.4Y144 Y145 E146 A151 G152 R153Y144-A148 WeakPolarHBondContact O-CB 3.47Å; Y144-A148 PolarHBondContact O-N 2.8Å; Y145-A148 WeakPolarHBondContact O-CB 3.28Å; Y145-A148 PolarHBondContact O-N 3.25Å; E146-A148 VanDerWaalsContact C-N 3.31Å; E146-A148 PolarHBondContact O-N 3.16Å; A148-A151 CarbonylContact O-C 3.47Å; A148-A151 PolarHBondContact O-N 3.3Å; A148-G152 PolarHBondContact O-N 3.18Å; A148-G152 VanDerWaalsContact O-N 3.12Å; A148-R153 HydrophobicContact CB-CB 4.39Å; A148-R153 PolarHBondContact O-N 2.79Å
149V96.9Very high95.7Very high17 Ų1781.9 Ų81.910%0.10343%0.429CS..Hα-helixtrans-63-49.4172.2165.90000110.7Y145 E146 A151 G152 L154 V161 Q162 L164Y145-V149 WeakPolarHBondContact O-CG2 3.37Å; Y145-V149 PolarHBondContact O-N 2.96Å; E146-V149 PolarHBondContact O-N 3.01Å; V149-A151 PolarHBondContact O-N 2.86Å; V149-G152 PolarHBondContact O-N 2.87Å; V149-L154 HydrophobicContact CG2-CB 4.05Å; V149-L154 HydrophobicContact CG2-CD1 4.17Å; V149-V161 HydrophobicContact CG2-CG1 4.11Å; V149-Q162 VanDerWaalsContact CG1-C 3.44Å; V149-Q162 WeakPolarHBondContact CG1-O 3.27Å; V149-L164 HydrophobicContact CG2-CD2 3.53Å; V149-L164 HydrophobicContact CG2-CG 3.95Å
150R96.1Very high95.8Very high185 Ų18582.1 Ų82.170%0.69842%0.424SS*.Hα-helixtrans-58.4-34.4176-70.6-169.2-62.7-101.82113E146 A147 G152E146-R150 WeakPolarHBondContact O-CG 3.42Å; E146-R150 PolarHBondContact O-N 2.92Å; A147-R150 PolarHBondContact O-N 3.01Å; R150-G152 VanDerWaalsContact C-N 3.32Å
151A95.6Very high95.9Very high65 Ų6578.3 Ų78.354%0.53741%0.406SS..THydrogen-bonded Turntrans-83.2-1.317700000114A147 A148 V149 R153A147-A151 VanDerWaalsContact O-CB 3.3Å; A147-A151 WeakPolarHBondContact O-CB 3.21Å; A147-A151 PolarHBondContact O-N 2.86Å; A148-A151 CarbonylContact O-C 3.47Å; A148-A151 PolarHBondContact O-N 3.3Å; V149-A151 PolarHBondContact O-N 2.86Å; A151-R153 VanDerWaalsContact C-N 3.26Å; A151-R153 HydrophobicContact CB-CG 4.1Å; A151-R153 PolarHBondContact O-N 3.05Å
152G95.6Very high95.8Very high36 Ų3682.9 Ų82.937%0.37142%0.42SS..THydrogen-bonded Turntrans68.819-178.700000114.9A148 V149 R150A148-G152 PolarHBondContact O-N 3.18Å; A148-G152 VanDerWaalsContact O-N 3.12Å; V149-G152 PolarHBondContact O-N 2.87Å; R150-G152 VanDerWaalsContact C-N 3.32Å
153R95.4Very high95.9Very high149 Ų14983.7 Ų83.756%0.56243%0.425SS*.  trans-86.2-11.7-177.6-64.8-173.6-64.5-176.41.3113.7A148 A151A148-R153 HydrophobicContact CB-CB 4.39Å; A148-R153 PolarHBondContact O-N 2.79Å; A151-R153 VanDerWaalsContact C-N 3.26Å; A151-R153 HydrophobicContact CB-CG 4.1Å; A151-R153 PolarHBondContact O-N 3.05Å
154L96.3Very high95.9Very high23 Ų2381 Ų8112%0.1240%0.402CS..  trans-102.2126.4-178.5-157.9145.1000109.7L129 F133 Y145 V149 V161 L164L129-L154 HydrophobicContact CD1-CD2 4.36Å; F133-L154 HydrophobicContact CE2-CD1 3.64Å; F133-L154 HydrophobicContact CE2-CD2 4.45Å; F133-L154 HydrophobicContact CZ-CD1 3.63Å; F133-L154 HydrophobicContact CZ-CD2 4.46Å; F133-L154 HydrophobicContact CZ-CG 4.45Å; Y145-L154 HydrophobicContact CD1-CD1 4.28Å; V149-L154 HydrophobicContact CG2-CB 4.05Å; V149-L154 HydrophobicContact CG2-CD1 4.17Å; L154-V161 HydrophobicContact CD2-CB 3.67Å; L154-V161 HydrophobicContact CD2-CG1 4.06Å; L154-V161 HydrophobicContact CD2-CG2 3.53Å; L154-V161 PolarHBondContact O-N 3.04Å; L154-L164 HydrophobicContact CD1-CD2 4.37Å
155Q96.4Very high95.9Very high127 Ų12781 Ų8159%0.59341%0.409SS*.EExtended strand (participates in β ladder)trans-126.4144-177.6-61.4178.2600110.6K159Q155-K159 CarbonylContact C-O 3.55Å; Q155-K159 WeakPolarHBondContact CA-O 3.32Å
156L95.8Very high95.9Very high47 Ų4783 Ų8325%0.24642%0.42CS..EExtended strand (participates in β ladder)trans-126.9121.3172.2-179.663.7000107.4E158 K159 V161 I166 L168L156-E158 VanDerWaalsContact C-N 3.29Å; L156-E158 PolarHBondContact O-N 3.18Å; L156-K159 PolarHBondContact N-O 3.22Å; L156-K159 PolarHBondContact O-N 3.19Å; L156-K159 VanDerWaalsContact O-N 3.08Å; L156-V161 HydrophobicContact CB-CG2 3.62Å; L156-I166 HydrophobicContact CD2-CG2 4.46Å; L156-L168 HydrophobicContact CD1-CD2 4.12Å; L156-L168 HydrophobicContact CD2-CD2 3.9Å
157N94.6Very high96Very high116 Ų11683.1 Ų83.162%0.6243%0.427SS*.THydrogen-bonded Turntrans49.850.4-174.3-59.6-9.8000112K159N157-K159 PolarHBondContact O-N 3.12Å
158E94.6Very high96Very high182 Ų18282.1 Ų82.185%0.8542%0.417SS*.THydrogen-bonded Turntrans62.98.4179.4-51.1-177.9151.900115.1L156L156-E158 VanDerWaalsContact C-N 3.29Å; L156-E158 PolarHBondContact O-N 3.18Å
159K95.2Very high95.9Very high153 Ų15390.7 Ų90.767%0.66545%0.453SS*.EExtended strand (participates in β ladder)trans-109.1137.1177.3-66.1174.2-1751720110.3Q155 L156 N157 V161Q155-K159 CarbonylContact C-O 3.55Å; Q155-K159 WeakPolarHBondContact CA-O 3.32Å; L156-K159 PolarHBondContact N-O 3.22Å; L156-K159 PolarHBondContact O-N 3.19Å; L156-K159 VanDerWaalsContact O-N 3.08Å; N157-K159 PolarHBondContact O-N 3.12Å; K159-V161 PolarHBondContact O-N 3.27Å
160P96Very high95.7Very high89 Ų8994.9 Ų94.958%0.57848%0.478SS*.EExtended strand (participates in β ladder)trans-62.9135.3177.626.5-33.6000110.6
161V96.6Very high95.2Very high8 Ų894 Ų945%0.04848%0.482CS..  trans-84.4134176.1170.20000109.2L129 V149 L154 L156 K159 D163 I166L129-V161 HydrophobicContact CD1-CG1 3.9Å; L129-V161 HydrophobicContact CD1-CG2 4.1Å; V149-V161 HydrophobicContact CG2-CG1 4.11Å; L154-V161 HydrophobicContact CD2-CB 3.67Å; L154-V161 HydrophobicContact CD2-CG1 4.06Å; L154-V161 HydrophobicContact CD2-CG2 3.53Å; L154-V161 PolarHBondContact O-N 3.04Å; L156-V161 HydrophobicContact CB-CG2 3.62Å; K159-V161 PolarHBondContact O-N 3.27Å; V161-D163 WeakPolarHBondContact CG1-O 3.14Å; V161-I166 HydrophobicContact CG1-CD1 3.93Å
162Q95.1Very high94.1Very high183 Ų18399.5 Ų99.586%0.85552%0.517SS*.SBendtrans-98.1-27177.7-60.2-174.426.200113.1V149V149-Q162 VanDerWaalsContact CG1-C 3.44Å; V149-Q162 WeakPolarHBondContact CG1-O 3.27Å
163D95.6Very high94Very high77 Ų77102.7 Ų102.741%0.41252%0.524SS..  trans-144.5142.7-177.8-171.80.5000110.8V161 N165 I166V161-D163 WeakPolarHBondContact CG1-O 3.14Å; D163-N165 VanDerWaalsContact C-N 3.29Å; D163-N165 PolarHBondContact OD1-N 3.2Å; D163-N165 PolarHBondContact OD1-ND2 2.99Å; D163-N165 WeakPolarHBondContact OD2-CB 3.32Å; D163-N165 PolarHBondContact OD2-ND2 3.2Å; D163-I166 WeakPolarHBondContact O-CD1 3.3Å; D163-I166 VanDerWaalsContact O-CG1 3.28Å; D163-I166 WeakPolarHBondContact O-CG1 3.49Å
164L96.6Very high93.9Very high4 Ų4100.3 Ų100.32%0.02152%0.522CS..THydrogen-bonded Turntrans-77.4-13.2174.3-65.4-178.6000112.9L129 L130 F133 E146 V149 L154 I166L129-L164 HydrophobicContact CB-CD2 4.24Å; L129-L164 WeakPolarHBondContact CB-O 3.3Å; L129-L164 PolarHBondContact N-O 2.87Å; L130-L164 HydrophobicContact CB-CB 3.98Å; L130-L164 HydrophobicContact CD1-CB 3.77Å; L130-L164 HydrophobicContact CD1-CD1 3.81Å; L130-L164 HydrophobicContact CD1-CG 4.46Å; L130-L164 PolarHBondContact N-O 3.22Å; F133-L164 HydrophobicContact CD2-CD2 3.9Å; F133-L164 HydrophobicContact CE2-CD2 3.8Å; E146-L164 HydrophobicContact CG-CD1 3.77Å; V149-L164 HydrophobicContact CG2-CD2 3.53Å; V149-L164 HydrophobicContact CG2-CG 3.95Å; L154-L164 HydrophobicContact CD1-CD2 4.37Å; L164-I166 PolarHBondContact O-N 3.14Å
165N97.1Very high93.8Very high96 Ų96104.6 Ų104.651%0.51354%0.544SS..THydrogen-bonded Turntrans-75.2-2.9176.5-63.3-63.8000113.9D163 V167D163-N165 VanDerWaalsContact C-N 3.29Å; D163-N165 PolarHBondContact OD1-N 3.2Å; D163-N165 PolarHBondContact OD1-ND2 2.99Å; D163-N165 WeakPolarHBondContact OD2-CB 3.32Å; D163-N165 PolarHBondContact OD2-ND2 3.2Å; N165-V167 PolarHBondContact O-N 3.32Å
166I96.7Very high93.6Very high67 Ų67103.2 Ų103.234%0.34454%0.542SS..PPolyproline II helixtrans-57.2124.7175.5-64.4173000110S128 L129 L156 V161 D163 L164S128-I166 CarbonylContact C-O 3.52Å; S128-I166 WeakPolarHBondContact CA-O 3.28Å; L129-I166 HydrophobicContact CD1-CB 4.35Å; L129-I166 PolarHBondContact N-O 3.17Å; L156-I166 HydrophobicContact CD2-CG2 4.46Å; V161-I166 HydrophobicContact CG1-CD1 3.93Å; D163-I166 WeakPolarHBondContact O-CD1 3.3Å; D163-I166 VanDerWaalsContact O-CG1 3.28Å; D163-I166 WeakPolarHBondContact O-CG1 3.49Å; L164-I166 PolarHBondContact O-N 3.14Å
167V97.2Very high93.5Very high84 Ų84106.8 Ų106.851%0.50956%0.56SS.*BIsolated β-bridgetrans-84.8126.5176.5-179.60000110.1N165N165-V167 PolarHBondContact O-N 3.32Å
168L96.6Very high93.4Very high11 Ų11106.1 Ų106.16%0.05856%0.556CS.*PPolyproline II helixtrans-73134.2177.6-64175.7000110.5W124 G126 H127 L129 V132 L156W124-L168 HydrophobicContact CB-CD1 3.84Å; W124-L168 HydrophobicContact CE3-CD1 4.39Å; G126-L168 PolarHBondContact N-O 3.29Å; H127-L168 PolarHBondContact O-N 3.06Å; L129-L168 HydrophobicContact CD2-CD1 4.24Å; L129-L168 HydrophobicContact CD2-CD2 3.9Å; L129-L168 HydrophobicContact CD2-CG 4.28Å; L129-L168 HydrophobicContact CG-CD2 4.37Å; V132-L168 HydrophobicContact CG2-CD1 4.1Å; L156-L168 HydrophobicContact CD1-CD2 4.12Å; L156-L168 HydrophobicContact CD2-CD2 3.9Å
169K94.8Very high93.3Very high185 Ų185100.7 Ų100.780%0.80454%0.535SS*.  trans-136.2156.3-179.662.4179.7-179.1175.20110.8
170V92.5Very high93.2Very high105 Ų10596.7 Ų96.764%0.63653%0.525SS*.  trans-72.2132169.7-1770000107.8V125 S172V125-V170 HydrophobicContact CG1-CG2 4.15Å; V125-V170 HydrophobicContact CG2-CG2 3.83Å; V170-S172 PolarHBondContact O-N 2.97Å
171E84.1Confident93Very high167 Ų16797.3 Ų97.378%0.7852%0.521SS*.  trans-73.5117.2171-165.9161.8-158.200107.7
172S72.4Confident92.6Very high181 Ų181105.5 Ų105.5100%1.26656%0.563SS**  trans-96.40-176.954.90000111.5V170V170-S172 PolarHBondContact O-N 2.97Å

Retrieved 172 of 172 residues in 178.7 ms (Link to these results)