A0A077Z9P0_TRITR Loading...

DNA endonuclease RBBP8

AlphaFold DB , UniProt , Accession A0A077Z9P0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 210 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
1M51.3Low56Low236 Ų236165.4 Ų165.4100%1.16385%0.853SS**  0113.60-70.4-178.5167.100107.6
2S49Very low56.9Low107 Ų107168.7 Ų168.775%0.74886%0.856SS**  68.9134.5121.3-76.50000114.8
3M55.1Low56.8Low168 Ų168174.3 Ų174.383%0.82886%0.86SS**  cis-165.3149.62.4-99-74.6168.200104.7
4L49.3Very low56.4Low152 Ų152171.4 Ų171.480%0.79686%0.864SS**  trans-65.6145.6165.9-69.9114.9000110.4
5T69.2Low56Low140 Ų140166.6 Ų166.686%0.85985%0.852SS**  trans-140.2118148.954.60000110.5
6M49.1Very low56.2Low161 Ų161162.6 Ų162.679%0.79384%0.844SS**  trans-73.5159.8167.7-56.5-140.6106.700110.6
7T56.6Low55.4Low130 Ų130161.3 Ų161.380%0.79885%0.85SS**  154131.5114.751.60000110.2
8D57.5Low54.8Low158 Ų158157.9 Ų157.985%0.84584%0.842SS**  -165.2126.4118.4-133-45000111.1
9R55.4Low54.2Low232 Ų232162 Ų16288%0.87584%0.844SS**  trans-126103.3-179.1-150.5-179.5-166.7-178.44.1106.9V11R9-V11 PolarHBondContact O-N 3.04Å
10K64.3Low53.7Low207 Ų207162.3 Ų162.390%0.985%0.846SS**  trans-84.699.4-175.4-132.8160.9-174162.30110.2
11V58.8Low53.3Low128 Ų128160 Ų16078%0.77684%0.844SS**PPolyproline II helixtrans-91.6116.8168.2177.80000108.4R9 R13R9-V11 PolarHBondContact O-N 3.04Å; V11-R13 PolarHBondContact O-N 3.35Å
12K67.2Low52.6Low205 Ų205154.5 Ų154.589%0.89183%0.827SS**PPolyproline II helixtrans-78116.9170.5-89.5178.3174.41760109.4
13R55.4Low52.5Low242 Ų242154.8 Ų154.891%0.91383%0.829SS**PPolyproline II helixtrans-61.9135.6169.2-96.5174174.2164.8-1.4110.9V11V11-R13 PolarHBondContact O-N 3.35Å
14C51Low51.8Low134 Ų134153 Ų15391%0.90583%0.833SS**PPolyproline II helixtrans-88122.8156.8-147.80000107.8
15S50.7Low51.5Low99 Ų99148.9 Ų148.969%0.69283%0.828SS**PPolyproline II helixtrans-86.3154.717259.10000110.2
16S59.1Low50.3Low103 Ų103148.1 Ų148.172%0.7283%0.828SS**  trans69.584.7168.472.40000117.2
17C43Very low50.3Low140 Ų140146.5 Ų146.595%0.94683%0.83SS**  -146124.5125.8-1040000108.6
18S43.8Very low49.6Very low100 Ų100148.4 Ų148.470%0.69983%0.829SS**  trans-95.6140.3-160.6-45.10000110.1
19R44.8Very low48.9Very low236 Ų236147.4 Ų147.489%0.89182%0.823SS**  trans62.7102153.5-58.2174.8-172-168.41.5115.9
20L42.6Very low48.3Very low167 Ų167142 Ų14287%0.87481%0.812SS**  -157.3106124.3-93.5171.9000106.8
21S45.3Very low47.4Very low115 Ų115139.4 Ų139.480%0.80481%0.808SS**  trans-75.6116.5170.7490000108.9
22C38.4Very low47Very low120 Ų120141.8 Ų141.881%0.81181%0.811SS**  trans-128.2114.3164-660000108.2
23S46.3Very low45.9Very low114 Ų114140.5 Ų140.580%0.79781%0.813SS**  trans-61.1147-173.6-53.20000113.2G25S23-G25 PolarHBondContact O-N 3.43Å
24S40.8Very low45.6Very low129 Ų129137.1 Ų137.190%0.90281%0.807SS**  trans-52.9118.9161.949.40000111.3
25G43.1Very low45.6Very low67 Ų67135.3 Ų135.369%0.69180%0.796SS**  trans-150.9107168.200000109S23 P27S23-G25 PolarHBondContact O-N 3.43Å; G25-P27 WeakPolarHBondContact O-CD 3.49Å
26S43.4Very low45.3Very low124 Ų124138.8 Ų138.887%0.86781%0.805SS**  trans-73.9126.2169.9-55.30000109.3
27P47.8Very low44.7Very low127 Ų127142.4 Ų142.483%0.82581%0.811SS**  trans-97.3111.7161.119.8-2.1000108.7G25G25-P27 WeakPolarHBondContact O-CD 3.49Å
28Q43.5Very low45Very low169 Ų169143.6 Ų143.679%0.7981%0.806SS**  trans-81.6156.7154.5-80.1-161.613.100109.5
29L42.4Very low45.3Very low137 Ų137144.2 Ų144.272%0.71781%0.81SS**  trans79.8107.4156.9-78.6157.2000117.7
30N42.7Very low45.3Very low119 Ų119135.8 Ų135.864%0.63680%0.797SS**  112.7112125.5-57.7-12.8000118
31D46.2Very low45.7Very low152 Ų152136.2 Ų136.281%0.81380%0.801SS**  43.281128.2-62.5-40.8000117.3
32E48.9Very low46Very low179 Ų179135.7 Ų135.784%0.83680%0.797SS**  trans-144.674.8148.1-75.7-141.3123.500110.2
33L44.9Very low46.7Very low178 Ų178133.7 Ų133.793%0.93278%0.784SS**  trans-98.571155.5-77.9-179.7000108.3
34H49.9Very low47.2Very low170 Ų170133.9 Ų133.979%0.78778%0.783SS**  trans-102.8111.2164.5-101.9-134.8000108.9
35S49.7Very low47.9Very low97 Ų97135.8 Ų135.868%0.67878%0.777SS**  trans64.676.7146.3-510000117.8
36L45.6Very low48.3Very low171 Ų171138.3 Ų138.390%0.89577%0.774SS**  trans-106.188.7146-83168.9000108.6I38L36-I38 PolarHBondContact O-N 3.37Å; L36-I38 VanDerWaalsContact O-N 3.1Å
37E46Very low48.6Very low179 Ų179138.2 Ų138.284%0.83676%0.758SS**  trans-67.2101.5168-63-165.9147.400108.7S39E37-S39 VanDerWaalsContact C-N 3.27Å; E37-S39 PolarHBondContact O-N 3.49Å
38I48Very low49.1Very low166 Ų166137.2 Ų137.285%0.85175%0.754SS**  trans-76.987.9168.3-56.9173.6000106.8L36L36-I38 PolarHBondContact O-N 3.37Å; L36-I38 VanDerWaalsContact O-N 3.1Å
39S50.5Low49.7Very low112 Ų112131.5 Ų131.578%0.78374%0.741SS**  trans-70.9128.5168.864.80000110.3E37E37-S39 VanDerWaalsContact C-N 3.27Å; E37-S39 PolarHBondContact O-N 3.49Å
40G46.4Very low50.4Low60 Ų60131.7 Ų131.762%0.61973%0.733SS**SBendtrans114.999.1151.900000117.7S42G40-S42 PolarHBondContact O-N 3.36Å
41N50.2Low51.1Low176 Ų176128.9 Ų128.994%0.94172%0.723SS**  trans61.237.4130.5-58.69.9000120.3
42S50.9Low51.7Low103 Ų103126.7 Ų126.772%0.7271%0.711SS**  trans-92.7114.1165.364.60000112.2G40G40-S42 PolarHBondContact O-N 3.36Å
43S53.1Low52.2Low78 Ų78121 Ų12155%0.54569%0.685SS.*  trans-41.4135.9-178.3-162.50000116E45 L46S43-E45 PolarHBondContact O-N 3.23Å; S43-L46 PolarHBondContact O-N 3.21Å
44P57.2Low52.8Low118 Ų118115.2 Ų115.277%0.76666%0.656SS**G310 helixtrans-66.5-5.8-173.224.4-33.1000115.8L46P44-L46 PolarHBondContact O-N 3.06Å
45E55.7Low53.2Low170 Ų170117.5 Ų117.579%0.79466%0.657SS**G310 helixtrans-73.2-11.1178.6-71.4-80.2120.500113.6S43S43-E45 PolarHBondContact O-N 3.23Å
46L52.3Low53.8Low119 Ų119121 Ų12162%0.62366%0.663SS**G310 helixtrans-85.1-1.8-179.6-76170.3000114.7S43 P44S43-L46 PolarHBondContact O-N 3.21Å; P44-L46 PolarHBondContact O-N 3.06Å
47F48.9Very low54.5Low122 Ų122121.7 Ų121.754%0.53565%0.653SS.*G310 helixtrans-102.82.9-174.3-142.2-97000115.2G49 Y50 L54F47-G49 PolarHBondContact O-N 3.15Å; F47-G49 VanDerWaalsContact O-N 3.16Å; F47-Y50 HydrophobicContact CE2-CG 4.36Å; F47-Y50 PolarHBondContact O-N 3.16Å; F47-L54 HydrophobicContact CE1-CD1 4.34Å; F47-L54 HydrophobicContact CZ-CD1 4.21Å
48S58.8Low54.8Low106 Ų106116.5 Ų116.574%0.74165%0.648SS**THydrogen-bonded Turntrans-66-16.9-177.6154.80000114.7
49G54.9Low55.3Low49 Ų49112.5 Ų112.551%0.50563%0.631SS.*THydrogen-bonded Turntrans-107.5-3.9178.500000115.1F47F47-G49 PolarHBondContact O-N 3.15Å; F47-G49 VanDerWaalsContact O-N 3.16Å
50Y57.2Low55.5Low142 Ų142116 Ų11656%0.55764%0.635SS**THydrogen-bonded Turntrans-93.1-18.1-177-100.2-88.6000113.2F47 D52F47-Y50 HydrophobicContact CE2-CG 4.36Å; F47-Y50 PolarHBondContact O-N 3.16Å; Y50-D52 VanDerWaalsContact C-N 3.34Å; Y50-D52 PolarHBondContact O-N 2.8Å
51S57.9Low55.7Low60 Ų60118.9 Ų118.942%0.4264%0.636SS.*Hα-helixtrans-65.2-32.3177.945.10000113.6R55S51-R55 PolarHBondContact O-N 2.88Å; S51-R55 VanDerWaalsContact O-N 3.15Å
52D58.1Low56.2Low105 Ų105115.9 Ų115.956%0.56163%0.628SS**Hα-helixtrans-75.8-29.8-176.2-66.5-26.8000113.1Y50Y50-D52 VanDerWaalsContact C-N 3.34Å; Y50-D52 PolarHBondContact O-N 2.8Å
53I59.3Low56.4Low59 Ų59122.2 Ų122.230%0.30364%0.636SS.*Hα-helixtrans-76.9-30.7177.9-61.9171.2000111.2
54L57.3Low56.7Low58 Ų58124.3 Ų124.330%0.30465%0.649SS.*Hα-helixtrans-78.6-29.1176.6-73.1161.7000112.1F47 Q56 R57 L61F47-L54 HydrophobicContact CE1-CD1 4.34Å; F47-L54 HydrophobicContact CZ-CD1 4.21Å; L54-Q56 PolarHBondContact O-N 3.11Å; L54-R57 PolarHBondContact O-N 3.5Å; L54-L61 HydrophobicContact CD1-CD1 4.03Å
55R59.7Low56.8Low218 Ų218125.1 Ų125.182%0.82365%0.651SS**Hα-helixtrans-69.2-30.8177.7-144.4176.1-163.3-169.22.7113.4S51 R57S51-R55 PolarHBondContact O-N 2.88Å; S51-R55 VanDerWaalsContact O-N 3.15Å; R55-R57 VanDerWaalsContact C-N 3.29Å; R55-R57 PolarHBondContact O-N 3.39Å
56Q60.9Low56.8Low170 Ų170121.2 Ų121.279%0.79465%0.648SS**THydrogen-bonded Turntrans-74.1-13.4177.5-73.7-179.9-8.300114.2L54L54-Q56 PolarHBondContact O-N 3.11Å
57R60.7Low56.9Low185 Ų185125.9 Ų125.970%0.69866%0.657SS**THydrogen-bonded Turntrans-108.29-176.3-70.2-168.717199.5-4.1114.8L54 R55 V59L54-R57 PolarHBondContact O-N 3.5Å; R55-R57 VanDerWaalsContact C-N 3.29Å; R55-R57 PolarHBondContact O-N 3.39Å; R57-V59 HydrophobicContact CB-CG2 4.21Å; R57-V59 WeakPolarHBondContact O-CG2 3.42Å; R57-V59 PolarHBondContact O-N 2.97Å
58G53.5Low57.3Low70 Ų70126.8 Ų126.872%0.72267%0.668SS**THydrogen-bonded Turntrans61.517.1174.800000115Q60G58-Q60 PolarHBondContact O-N 2.87Å
59V57.1Low57.1Low83 Ų83128.7 Ų128.750%0.50367%0.668SS.*  trans-84.4107.6-178.6-177.40000109.1R57 L61R57-V59 HydrophobicContact CB-CG2 4.21Å; R57-V59 WeakPolarHBondContact O-CG2 3.42Å; R57-V59 PolarHBondContact O-N 2.97Å; V59-L61 HydrophobicContact CG1-CD2 4.41Å; V59-L61 PolarHBondContact O-N 3.41Å
60Q55.6Low56.9Low186 Ų186134.9 Ų134.987%0.86968%0.681SS**  trans-72.6104.2170-68.7-7933.900109G58 S62G58-Q60 PolarHBondContact O-N 2.87Å; Q60-S62 PolarHBondContact O-N 2.98Å
61L50.7Low56.7Low120 Ų120139.1 Ų139.163%0.62870%0.696SS**  trans-81107.4169.7-71.6173.1000109.1L54 V59 R63L54-L61 HydrophobicContact CD1-CD1 4.03Å; V59-L61 HydrophobicContact CG1-CD2 4.41Å; V59-L61 PolarHBondContact O-N 3.41Å; L61-R63 PolarHBondContact O-N 2.93Å
62S59.7Low56.8Low112 Ų112142.4 Ų142.478%0.78371%0.709SS**  trans-62.9115166.556.30000108.9Q60Q60-S62 PolarHBondContact O-N 2.98Å
63R55.8Low56.9Low236 Ų236146.7 Ų146.789%0.89172%0.723SS**PPolyproline II helixtrans-62.8126.7171.6-77.6-179.2166.7-172.9-4.4108.8L61 V65L61-R63 PolarHBondContact O-N 2.93Å; R63-V65 PolarHBondContact O-N 3.35Å
64P58.7Low56.4Low123 Ų123154 Ų15480%0.79975%0.752SS**PPolyproline II helixtrans-63.4131.8169.425.5-30.9000109.1A66P64-A66 PolarHBondContact O-N 3.29Å
65V60.1Low56.3Low134 Ų134155.4 Ų155.481%0.81277%0.772SS**PPolyproline II helixtrans-56.8123.7168.1173.90000107.4R63 R67R63-V65 PolarHBondContact O-N 3.35Å; V65-R67 PolarHBondContact O-N 3.33Å
66A54.8Low55.8Low89 Ų89151.2 Ų151.274%0.73677%0.774SS**PPolyproline II helixtrans-53.4116.1175.700000109.2P64P64-A66 PolarHBondContact O-N 3.29Å
67R55.7Low55.4Low216 Ų216147 Ų14782%0.81577%0.768SS**PPolyproline II helixtrans-91120.2164.9-79.8-177.4170.8153.5-2.3107.2V65 I69V65-R67 PolarHBondContact O-N 3.33Å; R67-I69 HydrophobicContact CB-CD1 4.25Å; R67-I69 HydrophobicContact CB-CG1 4.18Å; R67-I69 PolarHBondContact O-N 3.36Å
68D55.9Low55.3Low142 Ų142145.4 Ų145.476%0.75977%0.773SS**  trans-64.492173.6-64.3-40.1000109.9
69I54.7Low55.5Low146 Ų146151.2 Ų151.275%0.74978%0.779SS**  trans-98.81.7-179.2-61.3169.2000112.3R67R67-I69 HydrophobicContact CB-CD1 4.25Å; R67-I69 HydrophobicContact CB-CG1 4.18Å; R67-I69 PolarHBondContact O-N 3.36Å
70F50.9Low55.4Low179 Ų179154 Ų15479%0.78580%0.795SS**  trans-118.672.8172.7-105.3-96.1000111.1D72F70-D72 VanDerWaalsContact C-N 3.32Å; F70-D72 PolarHBondContact O-N 3.3Å
71R53.3Low55.7Low231 Ų231150 Ų15087%0.87278%0.784SS**  trans-85.382.9160-85.6-175.8168.9-179.5-2.6108.4
72D60Low56.1Low128 Ų128149.7 Ų149.768%0.68479%0.789SS**  trans-66153.9166.1-94.8-40.4000111.5F70F70-D72 VanDerWaalsContact C-N 3.32Å; F70-D72 PolarHBondContact O-N 3.3Å
73K60.4Low55.9Low195 Ų195150.5 Ų150.585%0.84879%0.789SS**  trans-62133.9-159.6-63.7170.9178.2174.30113.6A75K73-A75 PolarHBondContact O-N 3.23Å
74K49.3Very low55.9Low212 Ų212143.7 Ų143.792%0.92278%0.777SS**  trans-31.4117.7164.7-173.3178.9-175.3-175.70114.2
75A54.3Low56Low88 Ų88144.3 Ų144.373%0.72778%0.779SS**  trans-129.7144.1154.600000108.9K73K73-A75 PolarHBondContact O-N 3.23Å
76P50.7Low55.8Low131 Ų131146.8 Ų146.885%0.85178%0.778SS**  trans-80.9166.9-162.833.1-35000114.2
77A50.6Low55.6Low82 Ų82147.3 Ų147.368%0.67878%0.777SS**  trans-39161.5-174.600000118.2
78D59.5Low55.3Low150 Ų150145.1 Ų145.180%0.80278%0.781SS**  trans94.679.1159.1-47.6-30.3000116.6
79F56.8Low54.8Low193 Ų193141.8 Ų141.885%0.84677%0.772SS**  trans-165.6100.1131.5-128.9-103.2000110.6V81F79-V81 HydrophobicContact CD1-CG2 3.7Å; F79-V81 HydrophobicContact CE1-CG2 3.95Å
80V56.2Low54.8Low140 Ų140142 Ų14285%0.84878%0.775SS**  trans-92.6119168.6174.30000107.4
81V61.2Low54.4Low103 Ų103137 Ų13762%0.62477%0.767SS**  trans-120.3118.3162-167.20000107.8F79 V83F79-V81 HydrophobicContact CD1-CG2 3.7Å; F79-V81 HydrophobicContact CE1-CG2 3.95Å; V81-V83 PolarHBondContact O-N 3.16Å
82P59.7Low54.1Low113 Ų113131 Ų13173%0.73476%0.761SS**  trans-81.5114.6179.330.6-30.5000110.1
83V56.2Low53.4Low130 Ų130134.3 Ų134.379%0.78877%0.769SS**  trans-87.9110.5165.7-177.70000108.3V81 V85V81-V83 PolarHBondContact O-N 3.16Å; V83-V85 PolarHBondContact O-N 3.49Å
84S54.1Low52.7Low92 Ų92130.5 Ų130.564%0.64377%0.767SS**  trans-73.9105.9177.3-175.70000110.4K86S84-K86 PolarHBondContact O-N 2.7Å
85V61.5Low52.4Low137 Ų137126.3 Ų126.383%0.8377%0.765SS**  trans-86.988.7167.6-71.20000109.3V83 S87V83-V85 PolarHBondContact O-N 3.49Å; V85-S87 PolarHBondContact O-N 3.42Å
86K56Low51.7Low185 Ų185126.7 Ų126.780%0.80476%0.762SS**  trans-73108.2167.4-71-179.3-179177.80108.8S84S84-K86 PolarHBondContact O-N 2.7Å
87S49.5Very low50.8Low101 Ų101126.9 Ų126.971%0.70676%0.764SS**  trans34.796.4143.9-157.50000116.7V85V85-S87 PolarHBondContact O-N 3.42Å
88L49.8Very low50.8Low170 Ų170128 Ų12889%0.8977%0.767SS**  trans-107.257.4155.3-138.777.9000108.8
89A46.4Very low49.8Very low71 Ų71129.7 Ų129.759%0.58777%0.771SS**  trans-77.6135.2155.600000107.2
90N53.8Low49Very low151 Ų151128.5 Ų128.581%0.80777%0.767SS**  trans89.557.7-176-54.3-8.2000116
91A42.7Very low48.4Very low74 Ų74130.2 Ų130.261%0.61277%0.771SS**  trans-90.784.2144.300000107.9F93A91-F93 PolarHBondContact O-N 3.45Å
92S47.4Very low47.5Very low106 Ų106128.9 Ų128.974%0.74177%0.766SS**  trans-59101.7164.8-55.30000107.4S94S92-S94 PolarHBondContact O-N 3.35Å
93F45.8Very low46.7Very low197 Ų197131 Ų13186%0.86477%0.771SS**  trans-60.1106.6168.2-89.9-95.5000107.1A91 S95A91-F93 PolarHBondContact O-N 3.45Å; F93-S95 PolarHBondContact O-N 2.9Å
94S46Very low46.2Very low114 Ų114129.6 Ų129.680%0.79776%0.763SS**  trans-63.7103.7170.147.70000108.1S92 S96S92-S94 PolarHBondContact O-N 3.35Å; S94-S96 PolarHBondContact O-N 3.43Å
95S43.2Very low46Very low125 Ų125132.6 Ų132.687%0.87477%0.772SS**  trans-67.469.5171.8174.40000110.7F93F93-S95 PolarHBondContact O-N 2.9Å
96S39.7Very low45.7Very low96 Ų96133.7 Ų133.767%0.67177%0.768SS**  trans-132.769.2172.3176.40000109.7S94S94-S96 PolarHBondContact O-N 3.43Å
97C31.3Very low45.4Very low134 Ų134133.7 Ų133.791%0.90577%0.77SS**  trans-113.663.9160.2-137.70000107.4E99C97-E99 PolarHBondContact O-N 3.35Å
98S49.6Very low45.3Very low105 Ų105136.5 Ų136.573%0.73478%0.777SS**  trans-81.9107.4171.6-60.10000108.7
99E38.6Very low44.6Very low187 Ų187131 Ų13187%0.87476%0.762SS**  trans15.3117.2138.9-56.3-171.1125.900117.9C97C97-E99 PolarHBondContact O-N 3.35Å
100H39.5Very low44.1Very low168 Ų168136.1 Ų136.178%0.77877%0.771SS**  -169.580.9125.1-152.2-89.7000109.5S102H100-S102 PolarHBondContact O-N 2.77Å
101L44.6Very low43.5Very low176 Ų176137 Ų13792%0.92177%0.77SS**  trans-8887.9165.1-90.2159.5000106.8D103L101-D103 PolarHBondContact O-N 3.46Å
102S42.5Very low43.5Very low74 Ų74138.5 Ų138.552%0.51777%0.771SS.*  trans-67.6115167.646.30000108.5H100 T104H100-S102 PolarHBondContact O-N 2.77Å; S102-T104 PolarHBondContact O-N 3.23Å
103D42Very low43.4Very low158 Ų158142 Ų14285%0.84578%0.776SS**  trans-59.5102.7162.1-72.7-48.6000107.9L101L101-D103 PolarHBondContact O-N 3.46Å
104T45.5Very low43.5Very low100 Ų100137.1 Ų137.161%0.61377%0.766SS**  trans-112.2108.4158.955.40000106.6S102 E106S102-T104 PolarHBondContact O-N 3.23Å; T104-E106 PolarHBondContact O-N 3.46Å
105D51.4Low43.8Very low156 Ų156137 Ų13783%0.83477%0.765SS**  trans-55.764.4159.133.2-75.5000111.1E107D105-E107 PolarHBondContact O-N 2.81Å
106E55.1Low44.1Very low160 Ų160138.9 Ų138.975%0.74876%0.76SS**  trans-75.497.3166.9-78.8-88.8113.400107.5T104 L108T104-E106 PolarHBondContact O-N 3.46Å; E106-L108 PolarHBondContact O-N 3.49Å
107E50.2Low44.5Very low184 Ų184141.7 Ų141.786%0.8677%0.765SS**  trans-33.7121.7160.6-155.7-174.9-179.600109.8D105 G109D105-E107 PolarHBondContact O-N 2.81Å; E107-G109 PolarHBondContact O-N 3.26Å
108L45.4Very low45.2Very low161 Ų161145.4 Ų145.484%0.84377%0.765SS**  trans-66.382.6-176.5-71.8171000110.5E106 F110E106-L108 PolarHBondContact O-N 3.49Å; L108-F110 PolarHBondContact O-N 2.89Å
109G35.9Very low45.4Very low55 Ų55142.9 Ų142.957%0.56776%0.756SS**  trans-63.1110.6170.600000110.1E107 H111E107-G109 PolarHBondContact O-N 3.26Å; G109-H111 VanDerWaalsContact C-N 3.27Å; G109-H111 PolarHBondContact O-N 3.39Å
110F36.3Very low46.2Very low177 Ų177146.3 Ų146.378%0.77676%0.761SS**  trans-6880.2174-112.5-96.9000110.2L108 T112L108-F110 PolarHBondContact O-N 2.89Å; F110-T112 VanDerWaalsContact C-N 3.28Å; F110-T112 PolarHBondContact O-N 3.14Å
111H42Very low46.9Very low171 Ų171145.5 Ų145.579%0.79276%0.755SS**  trans-75.586.9168-77.9-83.9000109.8G109 E113G109-H111 VanDerWaalsContact C-N 3.27Å; G109-H111 PolarHBondContact O-N 3.39Å; H111-E113 VanDerWaalsContact C-N 3.27Å; H111-E113 PolarHBondContact O-N 2.99Å; H111-E113 VanDerWaalsContact O-N 3.14Å
112T42.7Very low47.5Very low104 Ų104144.3 Ų144.364%0.63875%0.748SS**  trans-82.471.8171.9-44.40000108.6F110 S114F110-T112 VanDerWaalsContact C-N 3.28Å; F110-T112 PolarHBondContact O-N 3.14Å; T112-S114 VanDerWaalsContact C-N 3.25Å; T112-S114 PolarHBondContact O-N 3.06Å
113E44.3Very low48.2Very low181 Ų181149.8 Ų149.885%0.84676%0.763SS**  trans-79.382.8168.3-73.4-170.5138.500109.2H111 S115H111-E113 VanDerWaalsContact C-N 3.27Å; H111-E113 PolarHBondContact O-N 2.99Å; H111-E113 VanDerWaalsContact O-N 3.14Å; E113-S115 PolarHBondContact O-N 2.78Å
114S48.3Very low49.2Very low93 Ų93150.5 Ų150.565%0.6576%0.755SS**  trans-67.592.3170.555.90000109.9T112 Q116T112-S114 VanDerWaalsContact C-N 3.25Å; T112-S114 PolarHBondContact O-N 3.06Å; S114-Q116 PolarHBondContact O-N 3.06Å; S114-Q116 VanDerWaalsContact O-N 3.1Å
115S52.7Low50.2Low112 Ų112149.6 Ų149.678%0.78375%0.749SS**  trans-58.3113.2167.9-166.90000109.5E113 M117E113-S115 PolarHBondContact O-N 2.78Å; S115-M117 PolarHBondContact O-N 3.06Å
116Q48Very low51.2Low164 Ų164145.8 Ų145.877%0.76673%0.729SS**  trans-7282.4-172.5-70.2178.9-5.300111.5S114 K118S114-Q116 PolarHBondContact O-N 3.06Å; S114-Q116 VanDerWaalsContact O-N 3.1Å; Q116-K118 PolarHBondContact O-N 3.49Å
117M48.6Very low52.3Low156 Ų156142 Ų14277%0.76872%0.72SS**  trans-80.6115.8165.8-76.2-139-176.300111.1S115 G119 K121S115-M117 PolarHBondContact O-N 3.06Å; M117-G119 PolarHBondContact O-N 3.3Å; M117-K121 WeakPolarHBondContact O-CE 3.43Å
118K46.3Very low54Low211 Ų211137.6 Ų137.692%0.91771%0.707SS**  trans-77.6106.3170.7-72.6176.7179.3175.50109.4Q116Q116-K118 PolarHBondContact O-N 3.49Å
119G53.6Low56Low53 Ų53131.8 Ų131.855%0.54668%0.678SS.*SBendtrans169.6142.2177.700000107M117 K121M117-G119 PolarHBondContact O-N 3.3Å; G119-K121 WeakPolarHBondContact O-CA 3.45Å; G119-K121 WeakPolarHBondContact O-CG 3.44Å; G119-K121 PolarHBondContact O-N 3.42Å
120R54.8Low58.5Low259 Ų259138.7 Ų138.798%0.97769%0.687SS**  trans-45.5102.1-170.4-67.9177.9179.3176.5-0.8110.8I122R120-I122 PolarHBondContact O-N 3.28Å; R120-I122 VanDerWaalsContact O-N 3.15Å
121K55.5Low61.2Low150 Ų150136.5 Ų136.565%0.65268%0.678SS**  trans-79.995.4-166.1-60.8178.5179.8176.50109.2M117 G119 K123M117-K121 WeakPolarHBondContact O-CE 3.43Å; G119-K121 WeakPolarHBondContact O-CA 3.45Å; G119-K121 WeakPolarHBondContact O-CG 3.44Å; G119-K121 PolarHBondContact O-N 3.42Å; K121-K123 PolarHBondContact O-N 3.3Å
122I56.5Low63.5Low151 Ų151137.1 Ų137.177%0.77467%0.673SS**  trans-71.5124.4165.2-62.4175.9000107.5R120 Y124R120-I122 PolarHBondContact O-N 3.28Å; R120-I122 VanDerWaalsContact O-N 3.15Å; I122-Y124 VanDerWaalsContact C-N 3.27Å; I122-Y124 WeakPolarHBondContact O-CD1 3.36Å; I122-Y124 PolarHBondContact O-N 3.43Å
123K56.4Low65.8Low189 Ų189138 Ų13882%0.82267%0.672SS**  trans-75.553.3-160.8-55.3172-179.4177.10113.2K121 V125K121-K123 PolarHBondContact O-N 3.3Å; K123-V125 PolarHBondContact O-N 3.14Å
124Y64.4Low68.1Low174 Ų174132.8 Ų132.868%0.68265%0.648SS**  trans-64.6112.6157.557.2-94.2000105.8I122 N126I122-Y124 VanDerWaalsContact C-N 3.27Å; I122-Y124 WeakPolarHBondContact O-CD1 3.36Å; I122-Y124 PolarHBondContact O-N 3.43Å; Y124-N126 WeakPolarHBondContact CD2-O 3.22Å; Y124-N126 PolarHBondContact O-N 2.71Å
125V66.3Low70Confident80 Ų80133.9 Ų133.949%0.48564%0.638SS.*SBendtrans-62.4-34.7-178178.10000109.2K123 Y174K123-V125 PolarHBondContact O-N 3.14Å; V125-Y174 HydrophobicContact CB-CD1 4.05Å; V125-Y174 HydrophobicContact CB-CD2 4.45Å; V125-Y174 HydrophobicContact CB-CE1 4.03Å; V125-Y174 HydrophobicContact CB-CE2 4.48Å; V125-Y174 HydrophobicContact CB-CG 4.25Å; V125-Y174 HydrophobicContact CG1-CD1 4.25Å; V125-Y174 HydrophobicContact CG1-CD2 3.75Å; V125-Y174 HydrophobicContact CG1-CE1 4.24Å; V125-Y174 HydrophobicContact CG1-CE2 3.8Å; V125-Y174 HydrophobicContact CG1-CG 3.99Å; V125-Y174 HydrophobicContact CG2-CD1 4.15Å; V125-Y174 HydrophobicContact CG2-CE1 3.62Å; V125-Y174 HydrophobicContact CG2-CE2 4.4Å
126N72.5Confident71.7Confident77 Ų77134.6 Ų134.641%0.41263%0.627SS.*SBendtrans-132145.7177.6-64.1-38.4000112.1Y124 Y174Y124-N126 WeakPolarHBondContact CD2-O 3.22Å; Y124-N126 PolarHBondContact O-N 2.71Å; N126-Y174 WeakPolarHBondContact ND2-CB 3.47Å
127S78.8Confident73.7Confident81 Ų81133.8 Ų133.857%0.56662%0.621SS**  trans-68.8139.6171.4-174.30000110.3V129S127-V129 PolarHBondContact O-N 2.94Å
128P84.4Confident75.7Confident91 Ų91127.1 Ų127.159%0.59159%0.588SS**  trans-54.5127176.8-25.533.3000112.4R130P128-R130 PolarHBondContact O-N 3.13Å; P128-R130 VanDerWaalsContact O-N 3.1Å
129V88.6Confident77.7Confident38 Ų38121.7 Ų121.723%0.2357%0.572CS.*  trans-74.9102.4179.8-176.70000110.6S127 E134 R135 L138 F173S127-V129 PolarHBondContact O-N 2.94Å; V129-E134 HydrophobicContact CG1-CB 3.25Å; V129-E134 HydrophobicContact CG1-CG 4.49Å; V129-R135 HydrophobicContact CB-CG 4.17Å; V129-R135 HydrophobicContact CG1-CB 4.47Å; V129-R135 HydrophobicContact CG1-CG 3.77Å; V129-R135 WeakPolarHBondContact O-CG 3.37Å; V129-L138 HydrophobicContact CB-CD1 4.41Å; V129-L138 HydrophobicContact CG2-CD1 4.37Å; V129-L138 HydrophobicContact CG2-CD2 4.43Å; V129-F173 HydrophobicContact CG2-CD2 4.41Å; V129-F173 HydrophobicContact CG2-CE2 3.91Å
130R88.7Confident79.4Confident200 Ų200119.4 Ų119.476%0.75555%0.549SS*.  trans-85.2-33.4-175.9-67.6-171.8173.9126.9-1.5113.7P128 R135P128-R130 PolarHBondContact O-N 3.13Å; P128-R130 VanDerWaalsContact O-N 3.1Å; R130-R135 PolarHBondContact O-NH1 3.27Å
131K91.7Very high81.1Confident132 Ų132112.3 Ų112.357%0.57452%0.523SS*.SBendtrans-80141.4-175.1-58.2-169.8-161144.60111.5I133 E134 R135K131-I133 VanDerWaalsContact C-N 3.31Å; K131-I133 PolarHBondContact O-N 3.36Å; K131-E134 HydrophobicContact CB-CB 4.31Å; K131-E134 HydrophobicContact CB-CG 4.1Å; K131-E134 VanDerWaalsContact CD-OE1 3.28Å; K131-E134 WeakPolarHBondContact CD-OE1 3.3Å; K131-E134 IonicContact NZ-OE1 3.75Å; K131-E134 PolarHBondContact NZ-OE1 2.92Å; K131-E134 VanDerWaalsContact NZ-OE1 3.17Å; K131-E134 PolarHBondContact O-N 3.16Å; K131-R135 PolarHBondContact O-N 3.35Å
132R90.7Very high82.8Confident183 Ų183108 Ų10869%0.69151%0.512SS*.Hα-helixtrans-59.4-41.2179-173.3-179.8-171.8-175.43.8112.3R135 K136R132-R135 PolarHBondContact O-N 3.38Å; R132-K136 WeakPolarHBondContact O-CG 3.46Å; R132-K136 PolarHBondContact O-N 2.86Å; R132-K136 VanDerWaalsContact O-N 3.14Å
133I91.7Very high84.4Confident123 Ų123102 Ų10263%0.63148%0.484SS*.Hα-helixtrans-65.2-46-178.4-60.4173000110.1K131 R135 K136 K137K131-I133 VanDerWaalsContact C-N 3.31Å; K131-I133 PolarHBondContact O-N 3.36Å; I133-R135 PolarHBondContact O-N 3.31Å; I133-K136 WeakPolarHBondContact O-CB 3.33Å; I133-K136 PolarHBondContact O-N 3.21Å; I133-K137 PolarHBondContact O-N 2.7Å
134E91Very high86.1Confident72 Ų7299.6 Ų99.634%0.33648%0.479SS..Hα-helixtrans-63.7-40.9177.6-64.6163.6-17000111V129 K131 K136 K137 L138V129-E134 HydrophobicContact CG1-CB 3.25Å; V129-E134 HydrophobicContact CG1-CG 4.49Å; K131-E134 HydrophobicContact CB-CB 4.31Å; K131-E134 HydrophobicContact CB-CG 4.1Å; K131-E134 VanDerWaalsContact CD-OE1 3.28Å; K131-E134 WeakPolarHBondContact CD-OE1 3.3Å; K131-E134 IonicContact NZ-OE1 3.75Å; K131-E134 PolarHBondContact NZ-OE1 2.92Å; K131-E134 VanDerWaalsContact NZ-OE1 3.17Å; K131-E134 PolarHBondContact O-N 3.16Å; E134-K136 VanDerWaalsContact C-N 3.26Å; E134-K136 PolarHBondContact O-N 2.94Å; E134-K137 WeakPolarHBondContact O-CB 3.5Å; E134-K137 PolarHBondContact O-N 3.19Å; E134-L138 PolarHBondContact O-N 3.32Å
135R89.8Confident87.4Confident116 Ų11696.6 Ų96.644%0.43848%0.483SS..Hα-helixtrans-60.6-32.1174.4-74.2-160.3-63.7-90.51.2113.7V129 R130 K131 R132 I133 K137 L138V129-R135 HydrophobicContact CB-CG 4.17Å; V129-R135 HydrophobicContact CG1-CB 4.47Å; V129-R135 HydrophobicContact CG1-CG 3.77Å; V129-R135 WeakPolarHBondContact O-CG 3.37Å; R130-R135 PolarHBondContact O-NH1 3.27Å; K131-R135 PolarHBondContact O-N 3.35Å; R132-R135 PolarHBondContact O-N 3.38Å; I133-R135 PolarHBondContact O-N 3.31Å; R135-K137 VanDerWaalsContact C-N 3.28Å; R135-L138 HydrophobicContact CB-CD1 4.44Å; R135-L138 HydrophobicContact CG-CD1 4.42Å; R135-L138 WeakPolarHBondContact O-CB 3.45Å; R135-L138 PolarHBondContact O-N 3.28Å
136K87.8Confident88.6Confident127 Ų12794.4 Ų94.455%0.55247%0.47SS*.Hα-helixtrans-71.6-23.7176.4-74-178.4177.1-172.20112.8R132 I133 E134R132-K136 WeakPolarHBondContact O-CG 3.46Å; R132-K136 PolarHBondContact O-N 2.86Å; R132-K136 VanDerWaalsContact O-N 3.14Å; I133-K136 WeakPolarHBondContact O-CB 3.33Å; I133-K136 PolarHBondContact O-N 3.21Å; E134-K136 VanDerWaalsContact C-N 3.26Å; E134-K136 PolarHBondContact O-N 2.94Å
137K89.8Confident89.6Confident147 Ų14797.2 Ų97.264%0.63948%0.475SS*.Hα-helixtrans-78.8-21.5176.8-63.3178.6178.6-172.30112.6I133 E134 R135I133-K137 PolarHBondContact O-N 2.7Å; E134-K137 WeakPolarHBondContact O-CB 3.5Å; E134-K137 PolarHBondContact O-N 3.19Å; R135-K137 VanDerWaalsContact C-N 3.28Å
138L90Very high90.2Very high15 Ų15100.4 Ų100.48%0.07948%0.481CS..SBendtrans-59.4138.4176.1-69.8166.2000111.8V129 E134 R135 G140 R171 F173V129-L138 HydrophobicContact CB-CD1 4.41Å; V129-L138 HydrophobicContact CG2-CD1 4.37Å; V129-L138 HydrophobicContact CG2-CD2 4.43Å; E134-L138 PolarHBondContact O-N 3.32Å; R135-L138 HydrophobicContact CB-CD1 4.44Å; R135-L138 HydrophobicContact CG-CD1 4.42Å; R135-L138 WeakPolarHBondContact O-CB 3.45Å; R135-L138 PolarHBondContact O-N 3.28Å; L138-G140 PolarHBondContact O-N 3.1Å; L138-R171 HydrophobicContact CB-CB 3.76Å; L138-R171 HydrophobicContact CD1-CB 4.06Å; L138-F173 HydrophobicContact CD2-CB 4.38Å; L138-F173 HydrophobicContact CD2-CD1 3.79Å; L138-F173 HydrophobicContact CD2-CD2 3.17Å; L138-F173 HydrophobicContact CD2-CE1 3.75Å; L138-F173 HydrophobicContact CD2-CE2 3.15Å; L138-F173 HydrophobicContact CD2-CG 3.49Å; L138-F173 VanDerWaalsContact CD2-CG 3.49Å; L138-F173 HydrophobicContact CD2-CZ 3.44Å; L138-F173 VanDerWaalsContact CD2-CZ 3.44Å; L138-F173 HydrophobicContact CG-CD2 4.44Å; L138-F173 HydrophobicContact CG-CE1 4.48Å; L138-F173 HydrophobicContact CG-CE2 4.02Å; L138-F173 HydrophobicContact CG-CZ 4.03Å
139V89.3Confident90.7Very high97 Ų97100.7 Ų100.759%0.58847%0.471SS*.EExtended strand (participates in β ladder)trans-73.4126.4175.2-1790000108.6R171 D172V139-R171 WeakPolarHBondContact O-CA 3.43Å; V139-D172 PolarHBondContact O-N 2.7Å
140G89.4Confident90.9Very high6 Ų6100.2 Ų100.26%0.06247%0.466CS..EExtended strand (participates in β ladder)trans-78.4140.8170.800000110L138 L164 H170L138-G140 PolarHBondContact O-N 3.1Å; G140-L164 WeakPolarHBondContact O-CD2 3.22Å; G140-H170 VanDerWaalsContact CA-O 3.25Å; G140-H170 WeakPolarHBondContact CA-O 3.16Å
141Y90.1Very high91.1Very high109 Ų10995.7 Ų95.743%0.42745%0.453SS..  trans-124.3160.2172.168.2-90.2000110.9C143 S168 H170 D172Y141-C143 HydrophobicContact CD2-CB 4.47Å; Y141-C143 HydrophobicContact CE2-CB 3.98Å; Y141-S168 PolarHBondContact O-OG 2.97Å; Y141-S168 VanDerWaalsContact O-OG 3.1Å; Y141-H170 HydrophobicContact CD1-CB 4.25Å; Y141-H170 HydrophobicContact CD2-CB 4.34Å; Y141-H170 HydrophobicContact CE1-CB 3.91Å; Y141-H170 HydrophobicContact CE2-CB 3.99Å; Y141-H170 HydrophobicContact CG-CB 4.46Å; Y141-H170 PolarHBondContact N-O 2.68Å; Y141-D172 HydrophobicContact CE1-CB 4.21Å
142S91.4Very high91.3Very high59 Ų5993 Ų9341%0.41345%0.451SS..  trans-95.6106.4172.545.30000108.9
143C90.7Very high91.4Very high27 Ų2787.2 Ų87.218%0.18243%0.434CS..  trans-68.3168.6169.3710000110.1Y141 C145 C146 R147 H170Y141-C143 HydrophobicContact CD2-CB 4.47Å; Y141-C143 HydrophobicContact CE2-CB 3.98Å; C143-C145 PolarHBondContact O-N 3.47Å; C143-C145 VanDerWaalsContact O-N 3.11Å; C143-C146 PolarHBondContact O-N 3.03Å; C143-C146 PolarHBondContact SG-N 2.97Å; C143-C146 VanDerWaalsContact SG-N 3.42Å; C143-C146 PolarHBondContact SG-SG 3.49Å; C143-R147 PolarHBondContact O-N 3.11Å; C143-H170 PolarHBondContact SG-NE2 2.96Å; C143-H170 VanDerWaalsContact SG-NE2 3.44Å
144N91.1Very high91.4Very high137 Ų13788.4 Ų88.473%0.73344%0.442SS*.Hα-helixtrans-52.2-38.2179.6-164.348.5000112.4
145C90.9Very high91.4Very high111 Ų11188 Ų8875%0.7544%0.442SS*.Hα-helixtrans-73.8-29.8179.2-46.30000113.9C143C143-C145 PolarHBondContact O-N 3.47Å; C143-C145 VanDerWaalsContact O-N 3.11Å
146C92.7Very high91.6Very high34 Ų3486 Ų8623%0.2345%0.445CS..Hα-helixtrans-89.8-16.6-179.7-68.20000112.9C143 E148 Y149 F150 H170C143-C146 PolarHBondContact O-N 3.03Å; C143-C146 PolarHBondContact SG-N 2.97Å; C143-C146 VanDerWaalsContact SG-N 3.42Å; C143-C146 PolarHBondContact SG-SG 3.49Å; C146-E148 PolarHBondContact O-N 3.17Å; C146-Y149 PolarHBondContact O-N 3.42Å; C146-F150 HydrophobicContact CB-CD2 4.36Å; C146-F150 HydrophobicContact CB-CE2 4.16Å; C146-F150 VanDerWaalsContact O-CD2 3.25Å; C146-F150 WeakPolarHBondContact O-CD2 3.06Å; C146-F150 PolarHBondContact O-N 3.3Å; C146-H170 PolarHBondContact SG-CD2 3.47Å
147R92.8Very high91.8Very high136 Ų13688.1 Ų88.151%0.51346%0.457SS..Hα-helixtrans-56.1-48.4-175.2-177174.3176.9167.51.7111.9C143 Y149 F150 E151C143-R147 PolarHBondContact O-N 3.11Å; R147-Y149 VanDerWaalsContact C-N 3.31Å; R147-Y149 PolarHBondContact O-N 3.04Å; R147-F150 PolarHBondContact O-N 3.42Å; R147-F150 VanDerWaalsContact O-N 3.13Å; R147-E151 HydrophobicContact CG-CG 4.24Å; R147-E151 WeakPolarHBondContact CG-OE1 3.47Å; R147-E151 IonicContact CZ-OE1 3.93Å; R147-E151 IonicContact NE-OE1 3.14Å; R147-E151 PolarHBondContact NE-OE1 3.1Å; R147-E151 IonicContact NH2-OE1 3.38Å; R147-E151 PolarHBondContact NH2-OE1 3.23Å; R147-E151 VanDerWaalsContact NH2-OE1 3.14Å; R147-E151 WeakPolarHBondContact O-CG 2.98Å; R147-E151 PolarHBondContact O-N 3.31Å
148E92.8Very high92Very high149 Ų14989 Ų8970%0.69646%0.461SS*.Hα-helixtrans-56.5-42.1-179.7-63.9177.5-176.900112.7C146 E151 S152C146-E148 PolarHBondContact O-N 3.17Å; E148-E151 PolarHBondContact O-N 3.18Å; E148-S152 WeakPolarHBondContact O-CB 3.41Å; E148-S152 PolarHBondContact O-N 3.45Å
149Y93.7Very high92.1Very high97 Ų9792.4 Ų92.438%0.3848%0.476SS..Hα-helixtrans-60.9-48.9176.8165.9-101000111.4C146 R147 S152 L153 R163C146-Y149 PolarHBondContact O-N 3.42Å; R147-Y149 VanDerWaalsContact C-N 3.31Å; R147-Y149 PolarHBondContact O-N 3.04Å; Y149-S152 PolarHBondContact O-N 3.43Å; Y149-S152 PolarHBondContact O-OG 3.03Å; Y149-L153 HydrophobicContact CE1-CD1 3.89Å; Y149-L153 HydrophobicContact CE2-CD1 4.33Å; Y149-L153 HydrophobicContact CE2-CD2 4.45Å; Y149-L153 WeakPolarHBondContact O-CG 3.25Å; Y149-L153 PolarHBondContact O-N 3.18Å; Y149-R163 PolarHBondContact OH-NH2 3.1Å
150F93.3Very high92.3Very high27 Ų2789.1 Ų89.112%0.11846%0.459CS..Hα-helixtrans-69-35.3-178.9-70.9-72.4000112.5C146 R147 L153 R163 L164C146-F150 HydrophobicContact CB-CD2 4.36Å; C146-F150 HydrophobicContact CB-CE2 4.16Å; C146-F150 VanDerWaalsContact O-CD2 3.25Å; C146-F150 WeakPolarHBondContact O-CD2 3.06Å; C146-F150 PolarHBondContact O-N 3.3Å; R147-F150 PolarHBondContact O-N 3.42Å; R147-F150 VanDerWaalsContact O-N 3.13Å; F150-L153 HydrophobicContact CD1-CD1 4.47Å; F150-L153 PolarHBondContact O-N 3.27Å; F150-R163 HydrophobicContact CE1-CB 4.44Å; F150-R163 HydrophobicContact CE1-CG 4.16Å; F150-L164 HydrophobicContact CD1-CD1 4.45Å; F150-L164 HydrophobicContact CD2-CD1 3.96Å; F150-L164 HydrophobicContact CE1-CB 4.4Å; F150-L164 HydrophobicContact CE1-CD1 4Å; F150-L164 HydrophobicContact CE2-CD1 3.45Å; F150-L164 VanDerWaalsContact CE2-CD1 3.45Å; F150-L164 HydrophobicContact CG-CD1 4.44Å; F150-L164 HydrophobicContact CZ-CD1 3.49Å; F150-L164 VanDerWaalsContact CZ-CD1 3.49Å
151E93.1Very high92.3Very high105 Ų10591.4 Ų91.449%0.49148%0.478SS..Hα-helixtrans-65.4-40.2174.5-72.3178.6167.700111.5R147 E148 L153 N154R147-E151 HydrophobicContact CG-CG 4.24Å; R147-E151 WeakPolarHBondContact CG-OE1 3.47Å; R147-E151 IonicContact CZ-OE1 3.93Å; R147-E151 IonicContact NE-OE1 3.14Å; R147-E151 PolarHBondContact NE-OE1 3.1Å; R147-E151 IonicContact NH2-OE1 3.38Å; R147-E151 PolarHBondContact NH2-OE1 3.23Å; R147-E151 VanDerWaalsContact NH2-OE1 3.14Å; R147-E151 WeakPolarHBondContact O-CG 2.98Å; R147-E151 PolarHBondContact O-N 3.31Å; E148-E151 PolarHBondContact O-N 3.18Å; E151-L153 PolarHBondContact O-N 3.49Å; E151-L153 VanDerWaalsContact O-N 3.16Å; E151-N154 PolarHBondContact O-N 3.29Å
152S94.8Very high92.4Very high75 Ų7594.1 Ų94.152%0.52449%0.487SS..Hα-helixtrans-62.7-22.5178.776.10000114.4E148 Y149 N154E148-S152 WeakPolarHBondContact O-CB 3.41Å; E148-S152 PolarHBondContact O-N 3.45Å; Y149-S152 PolarHBondContact O-N 3.43Å; Y149-S152 PolarHBondContact O-OG 3.03Å; S152-N154 VanDerWaalsContact C-N 3.29Å; S152-N154 PolarHBondContact O-N 3.37Å; S152-N154 PolarHBondContact O-ND2 3.14Å
153L92.8Very high92.5Very high62 Ų6295 Ų9533%0.32548%0.481SS..THydrogen-bonded Turntrans-76.6-14.8-178.8-65.9173.9000113.3Y149 F150 E151 L155 R163Y149-L153 HydrophobicContact CE1-CD1 3.89Å; Y149-L153 HydrophobicContact CE2-CD1 4.33Å; Y149-L153 HydrophobicContact CE2-CD2 4.45Å; Y149-L153 WeakPolarHBondContact O-CG 3.25Å; Y149-L153 PolarHBondContact O-N 3.18Å; F150-L153 HydrophobicContact CD1-CD1 4.47Å; F150-L153 PolarHBondContact O-N 3.27Å; E151-L153 PolarHBondContact O-N 3.49Å; E151-L153 VanDerWaalsContact O-N 3.16Å; L153-L155 HydrophobicContact CB-CD1 3.69Å; L153-L155 HydrophobicContact CB-CG 3.84Å; L153-L155 HydrophobicContact CD1-CD1 3.78Å; L153-L155 HydrophobicContact CG-CD1 4.36Å; L153-L155 PolarHBondContact O-N 3.48Å; L153-L155 VanDerWaalsContact O-N 3.16Å; L153-R163 HydrophobicContact CD1-CG 4.34Å
154N91.6Very high92.6Very high149 Ų14995.1 Ų95.180%0.79748%0.48SS*.THydrogen-bonded Turntrans48.740.8-179.8-61.4-73.1000113.6E151 S152E151-N154 PolarHBondContact O-N 3.29Å; S152-N154 VanDerWaalsContact C-N 3.29Å; S152-N154 PolarHBondContact O-N 3.37Å; S152-N154 PolarHBondContact O-ND2 3.14Å
155L92.1Very high92.6Very high64 Ų6494.8 Ų94.834%0.33547%0.472SS..  trans-85.2153.2-179.6-69.5163.2000111.1L153 E159 A160 R163L153-L155 HydrophobicContact CB-CD1 3.69Å; L153-L155 HydrophobicContact CB-CG 3.84Å; L153-L155 HydrophobicContact CD1-CD1 3.78Å; L153-L155 HydrophobicContact CG-CD1 4.36Å; L153-L155 PolarHBondContact O-N 3.48Å; L153-L155 VanDerWaalsContact O-N 3.16Å; L155-E159 HydrophobicContact CB-CB 4.02Å; L155-E159 HydrophobicContact CD2-CB 4.08Å; L155-E159 WeakPolarHBondContact CD2-OE2 3.47Å; L155-E159 HydrophobicContact CG-CB 4.5Å; L155-A160 HydrophobicContact CB-CB 4.3Å; L155-R163 HydrophobicContact CD1-CB 4.29Å; L155-R163 HydrophobicContact CD1-CG 4.3Å
156S93.7Very high92.6Very high73 Ų7393 Ų9351%0.5147%0.465SS..  trans-59.6149.4166.3178.50000110.4K158 E159 A160S156-K158 PolarHBondContact O-N 3.2Å; S156-K158 VanDerWaalsContact O-N 3.11Å; S156-E159 CarbonylContact O-C 3.57Å; S156-E159 WeakPolarHBondContact O-CA 3.39Å; S156-E159 WeakPolarHBondContact O-CB 3.48Å; S156-E159 PolarHBondContact O-N 3.01Å; S156-A160 PolarHBondContact O-N 3.28Å
157E91.6Very high92.5Very high171 Ų17194.6 Ų94.680%0.79947%0.474SS*.Hα-helixtrans-51.1-39.9-179.4-174.1175-16600113E159 A160 A161E157-E159 PolarHBondContact O-N 3.44Å; E157-A160 PolarHBondContact O-N 3.45Å; E157-A161 WeakPolarHBondContact O-CB 3.41Å; E157-A161 PolarHBondContact O-N 3.34Å
158K93.4Very high92.5Very high166 Ų16688.5 Ų88.572%0.72245%0.452SS*.Hα-helixtrans-66.3-37.6176.3-66.1-175179.9-1780112.8S156 R162S156-K158 PolarHBondContact O-N 3.2Å; S156-K158 VanDerWaalsContact O-N 3.11Å; K158-R162 WeakPolarHBondContact O-CG 3.46Å; K158-R162 PolarHBondContact O-N 3.28Å; K158-R162 VanDerWaalsContact O-N 3.14Å; K158-R162 PolarHBondContact O-NE 2.87Å
159E93.4Very high92.3Very high87 Ų8791.5 Ų91.541%0.40746%0.457SS..Hα-helixtrans-74.5-40.6177.3-73.9176176.600111.5L155 S156 E157 A161 R162 R163L155-E159 HydrophobicContact CB-CB 4.02Å; L155-E159 HydrophobicContact CD2-CB 4.08Å; L155-E159 WeakPolarHBondContact CD2-OE2 3.47Å; L155-E159 HydrophobicContact CG-CB 4.5Å; S156-E159 CarbonylContact O-C 3.57Å; S156-E159 WeakPolarHBondContact O-CA 3.39Å; S156-E159 WeakPolarHBondContact O-CB 3.48Å; S156-E159 PolarHBondContact O-N 3.01Å; E157-E159 PolarHBondContact O-N 3.44Å; E159-A161 VanDerWaalsContact C-N 3.34Å; E159-A161 PolarHBondContact O-N 3.42Å; E159-R162 PolarHBondContact O-N 3.05Å; E159-R162 IonicContact OE1-NH2 2.73Å; E159-R163 VanDerWaalsContact O-CB 3.3Å; E159-R163 WeakPolarHBondContact O-CB 3.42Å; E159-R163 PolarHBondContact O-N 2.94Å
160A92.2Very high92.1Very high27 Ų2790.1 Ų90.122%0.22345%0.453CS..Hα-helixtrans-58.3-46.717300000110.6L155 S156 E157 R162 R163 L164L155-A160 HydrophobicContact CB-CB 4.3Å; S156-A160 PolarHBondContact O-N 3.28Å; E157-A160 PolarHBondContact O-N 3.45Å; A160-R162 PolarHBondContact O-N 3Å; A160-R163 WeakPolarHBondContact O-CB 3.25Å; A160-R163 PolarHBondContact O-N 3.4Å; A160-L164 WeakPolarHBondContact O-CB 3.45Å; A160-L164 PolarHBondContact O-N 2.99Å
161A90.7Very high91.9Very high55 Ų5592.2 Ų92.246%0.45546%0.461SS..Hα-helixtrans-61.6-42.7176.100000112.6E157 E159 L164 K165E157-A161 WeakPolarHBondContact O-CB 3.41Å; E157-A161 PolarHBondContact O-N 3.34Å; E159-A161 VanDerWaalsContact C-N 3.34Å; E159-A161 PolarHBondContact O-N 3.42Å; A161-L164 PolarHBondContact O-N 3.14Å; A161-K165 WeakPolarHBondContact O-CB 3.16Å; A161-K165 PolarHBondContact O-N 3.4Å
162R92.5Very high91.5Very high166 Ų16690.6 Ų90.663%0.62646%0.455SS*.Hα-helixtrans-61.3-45.2173.8-76.2-175.5-74176.8-0.5111.5K158 E159 A160 L164 K165 A166K158-R162 WeakPolarHBondContact O-CG 3.46Å; K158-R162 PolarHBondContact O-N 3.28Å; K158-R162 VanDerWaalsContact O-N 3.14Å; K158-R162 PolarHBondContact O-NE 2.87Å; E159-R162 PolarHBondContact O-N 3.05Å; E159-R162 IonicContact OE1-NH2 2.73Å; A160-R162 PolarHBondContact O-N 3Å; R162-L164 VanDerWaalsContact C-N 3.35Å; R162-K165 PolarHBondContact O-N 3.37Å; R162-A166 WeakPolarHBondContact O-CB 3.49Å; R162-A166 PolarHBondContact O-N 3.17Å
163R92.6Very high90.9Very high76 Ų7692.2 Ų92.229%0.28745%0.453SS..Hα-helixtrans-63.9-40.6177.9-163.776.6174.61254.4111.5Y149 F150 L153 L155 E159 A160 A166 V167Y149-R163 PolarHBondContact OH-NH2 3.1Å; F150-R163 HydrophobicContact CE1-CB 4.44Å; F150-R163 HydrophobicContact CE1-CG 4.16Å; L153-R163 HydrophobicContact CD1-CG 4.34Å; L155-R163 HydrophobicContact CD1-CB 4.29Å; L155-R163 HydrophobicContact CD1-CG 4.3Å; E159-R163 VanDerWaalsContact O-CB 3.3Å; E159-R163 WeakPolarHBondContact O-CB 3.42Å; E159-R163 PolarHBondContact O-N 2.94Å; A160-R163 WeakPolarHBondContact O-CB 3.25Å; A160-R163 PolarHBondContact O-N 3.4Å; R163-A166 PolarHBondContact O-N 2.73Å; R163-V167 VanDerWaalsContact NH1-CG2 3.27Å; R163-V167 PolarHBondContact O-N 3.28Å
164L92.9Very high90.3Very high30 Ų3093.3 Ų93.316%0.15745%0.453CS..Hα-helixtrans-62.6-47.9176.7-167.271.1000110.6G140 F150 A160 A161 R162 A166 S168G140-L164 WeakPolarHBondContact O-CD2 3.22Å; F150-L164 HydrophobicContact CD1-CD1 4.45Å; F150-L164 HydrophobicContact CD2-CD1 3.96Å; F150-L164 HydrophobicContact CE1-CB 4.4Å; F150-L164 HydrophobicContact CE1-CD1 4Å; F150-L164 HydrophobicContact CE2-CD1 3.45Å; F150-L164 VanDerWaalsContact CE2-CD1 3.45Å; F150-L164 HydrophobicContact CG-CD1 4.44Å; F150-L164 HydrophobicContact CZ-CD1 3.49Å; F150-L164 VanDerWaalsContact CZ-CD1 3.49Å; A160-L164 WeakPolarHBondContact O-CB 3.45Å; A160-L164 PolarHBondContact O-N 2.99Å; A161-L164 PolarHBondContact O-N 3.14Å; R162-L164 VanDerWaalsContact C-N 3.35Å; L164-A166 VanDerWaalsContact C-N 3.27Å; L164-A166 PolarHBondContact O-N 3Å; L164-S168 WeakPolarHBondContact O-CA 3.28Å; L164-S168 WeakPolarHBondContact O-CB 3.49Å; L164-S168 PolarHBondContact O-N 3.44Å
165K90.9Very high89.8Confident131 Ų13192.1 Ų92.157%0.5745%0.452SS*.Hα-helixtrans-63.8-30.8175.6-171.9174-177.3175.50112.9A161 R162 R171A161-K165 WeakPolarHBondContact O-CB 3.16Å; A161-K165 PolarHBondContact O-N 3.4Å; R162-K165 PolarHBondContact O-N 3.37Å; K165-R171 VanDerWaalsContact O-CZ 3.3Å; K165-R171 PolarHBondContact O-NH1 3.47Å; K165-R171 PolarHBondContact O-NH2 3.34Å
166A90.7Very high89.3Confident72 Ų7293.5 Ų93.560%0.59546%0.464SS*.Hα-helixtrans-79.1-49.4179.300000112.8R162 R163 L164R162-A166 WeakPolarHBondContact O-CB 3.49Å; R162-A166 PolarHBondContact O-N 3.17Å; R163-A166 PolarHBondContact O-N 2.73Å; L164-A166 VanDerWaalsContact C-N 3.27Å; L164-A166 PolarHBondContact O-N 3Å
167V91.7Very high89Confident69 Ų6994.6 Ų94.642%0.41847%0.469SS..Hα-helixtrans-106.5-24.6-165.5-176.80000113.3R163 R169R163-V167 VanDerWaalsContact NH1-CG2 3.27Å; R163-V167 PolarHBondContact O-N 3.28Å; V167-R169 PolarHBondContact O-N 2.73Å
168S91.5Very high88.8Confident7 Ų796 Ų965%0.04947%0.473CS..  trans-61.8128.8-174.5-169.90000111.4Y141 L164 H170 R171Y141-S168 PolarHBondContact O-OG 2.97Å; Y141-S168 VanDerWaalsContact O-OG 3.1Å; L164-S168 WeakPolarHBondContact O-CA 3.28Å; L164-S168 WeakPolarHBondContact O-CB 3.49Å; L164-S168 PolarHBondContact O-N 3.44Å; S168-H170 PolarHBondContact OG-N 3.1Å; S168-H170 PolarHBondContact OG-O 3.33Å; S168-R171 PolarHBondContact O-NE 3.01Å; S168-R171 PolarHBondContact O-NH2 2.96Å
169R89.2Confident88.7Confident212 Ų21290.9 Ų90.980%0.846%0.458SS*.SBendtrans-78.5-25.2169.7-68.6-176.4171.5-174-2.3111.5V167 R171V167-R169 PolarHBondContact O-N 2.73Å; R169-R171 PolarHBondContact O-N 2.78Å
170H89.7Confident88.6Confident68 Ų6891 Ų9132%0.31547%0.467SS..  trans-86.9107.5-179.4-60-75.1000109.6G140 Y141 C143 C146 S168G140-H170 VanDerWaalsContact CA-O 3.25Å; G140-H170 WeakPolarHBondContact CA-O 3.16Å; Y141-H170 HydrophobicContact CD1-CB 4.25Å; Y141-H170 HydrophobicContact CD2-CB 4.34Å; Y141-H170 HydrophobicContact CE1-CB 3.91Å; Y141-H170 HydrophobicContact CE2-CB 3.99Å; Y141-H170 HydrophobicContact CG-CB 4.46Å; Y141-H170 PolarHBondContact N-O 2.68Å; C143-H170 PolarHBondContact SG-NE2 2.96Å; C143-H170 VanDerWaalsContact SG-NE2 3.44Å; C146-H170 PolarHBondContact SG-CD2 3.47Å; S168-H170 PolarHBondContact OG-N 3.1Å; S168-H170 PolarHBondContact OG-O 3.33Å
171R90Very high88.4Confident72 Ų7296.4 Ų96.427%0.27249%0.492SS..EExtended strand (participates in β ladder)trans-137.5128.4-176.6-64.8-178.7-172-118.1-0.4109.6L138 V139 K165 S168 R169L138-R171 HydrophobicContact CB-CB 3.76Å; L138-R171 HydrophobicContact CD1-CB 4.06Å; V139-R171 WeakPolarHBondContact O-CA 3.43Å; K165-R171 VanDerWaalsContact O-CZ 3.3Å; K165-R171 PolarHBondContact O-NH1 3.47Å; K165-R171 PolarHBondContact O-NH2 3.34Å; S168-R171 PolarHBondContact O-NE 3.01Å; S168-R171 PolarHBondContact O-NH2 2.96Å; R169-R171 PolarHBondContact O-N 2.78Å
172D83.6Confident88.3Confident71 Ų7197.6 Ų97.638%0.3849%0.488SS..EExtended strand (participates in β ladder)trans-152.2159.6177.7-151.8-28000110.3V139 Y141 Y174V139-D172 PolarHBondContact O-N 2.7Å; Y141-D172 HydrophobicContact CE1-CB 4.21Å; D172-Y174 PolarHBondContact OD1-N 3.28Å
173F82Confident88.2Confident109 Ų10995.9 Ų95.948%0.47849%0.485SS..SBendtrans-92.3-28.6165.1-70.6-60.3000111.7V129 L138V129-F173 HydrophobicContact CG2-CD2 4.41Å; V129-F173 HydrophobicContact CG2-CE2 3.91Å; L138-F173 HydrophobicContact CD2-CB 4.38Å; L138-F173 HydrophobicContact CD2-CD1 3.79Å; L138-F173 HydrophobicContact CD2-CD2 3.17Å; L138-F173 HydrophobicContact CD2-CE1 3.75Å; L138-F173 HydrophobicContact CD2-CE2 3.15Å; L138-F173 HydrophobicContact CD2-CG 3.49Å; L138-F173 VanDerWaalsContact CD2-CG 3.49Å; L138-F173 HydrophobicContact CD2-CZ 3.44Å; L138-F173 VanDerWaalsContact CD2-CZ 3.44Å; L138-F173 HydrophobicContact CG-CD2 4.44Å; L138-F173 HydrophobicContact CG-CE1 4.48Å; L138-F173 HydrophobicContact CG-CE2 4.02Å; L138-F173 HydrophobicContact CG-CZ 4.03Å
174Y81.4Confident88.2Confident84 Ų84101.5 Ų101.533%0.32951%0.506SS..  trans-111.8131.4-167.8-177.6-112.9000111.9V125 N126 D172 P177V125-Y174 HydrophobicContact CB-CD1 4.05Å; V125-Y174 HydrophobicContact CB-CD2 4.45Å; V125-Y174 HydrophobicContact CB-CE1 4.03Å; V125-Y174 HydrophobicContact CB-CE2 4.48Å; V125-Y174 HydrophobicContact CB-CG 4.25Å; V125-Y174 HydrophobicContact CG1-CD1 4.25Å; V125-Y174 HydrophobicContact CG1-CD2 3.75Å; V125-Y174 HydrophobicContact CG1-CE1 4.24Å; V125-Y174 HydrophobicContact CG1-CE2 3.8Å; V125-Y174 HydrophobicContact CG1-CG 3.99Å; V125-Y174 HydrophobicContact CG2-CD1 4.15Å; V125-Y174 HydrophobicContact CG2-CE1 3.62Å; V125-Y174 HydrophobicContact CG2-CE2 4.4Å; N126-Y174 WeakPolarHBondContact ND2-CB 3.47Å; D172-Y174 PolarHBondContact OD1-N 3.28Å; Y174-P177 WeakPolarHBondContact OH-CD 3.43Å
175V79.8Confident88.2Confident125 Ų125103.9 Ų103.976%0.75852%0.517SS*.PPolyproline II helixtrans-89.5121.1165.4-178.50000107.1
176P82Confident88.2Confident92 Ų92104.5 Ų104.560%0.59753%0.531SS*.PPolyproline II helixtrans-50.4140.7175.5-2835.5000111.3
177P86.7Confident88.2Confident96 Ų96105.1 Ų105.162%0.62353%0.531SS*.PPolyproline II helixtrans-64.8148176.430.9-25.6000107.4Y174Y174-P177 WeakPolarHBondContact OH-CD 3.43Å
178K88Confident88Confident201 Ų201111.3 Ų111.387%0.87455%0.553SS**PPolyproline II helixtrans-59145171.3-65.9-178-179.6178.10108.5
179S91.6Very high87.9Confident59 Ų59112.3 Ų112.341%0.41356%0.559SS.*PPolyproline II helixtrans-53.5138.1171.449.50000108.9W184S179-W184 PolarHBondContact OG-NE1 3.37Å
180P90Very high87.9Confident90 Ų90104.6 Ų104.658%0.58454%0.538SS*.PPolyproline II helixtrans-53.8155.7175.6-24.933.9000111.9H182 F183P180-H182 PolarHBondContact O-N 3.09Å; P180-F183 HydrophobicContact CB-CB 4.39Å; P180-F183 WeakPolarHBondContact O-CB 3.31Å; P180-F183 PolarHBondContact O-N 3.28Å
181D89.1Confident87.9Confident140 Ų140106.2 Ų106.275%0.74955%0.552SS**THydrogen-bonded Turntrans-56.9139.6175.9-61.7-20.7000110F183D181-F183 PolarHBondContact O-N 3.37Å; D181-F183 VanDerWaalsContact O-N 3.09Å
182H88.6Confident87.9Confident80 Ų80106.6 Ų106.637%0.3756%0.564SS.*THydrogen-bonded Turntrans63.24.9-178-44.7-67.3000116.6P180 W184 E185 W199P180-H182 PolarHBondContact O-N 3.09Å; H182-W184 VanDerWaalsContact C-N 3.29Å; H182-W184 PolarHBondContact O-N 3.19Å; H182-E185 HydrophobicContact CB-CG 4.3Å; H182-E185 IonicContact CE1-OE1 3.69Å; H182-E185 IonicContact CG-OE1 3.58Å; H182-E185 IonicContact CG-OE2 3.88Å; H182-E185 VanDerWaalsContact ND1-CD 3.34Å; H182-E185 IonicContact ND1-OE1 2.68Å; H182-E185 PolarHBondContact ND1-OE1 3.04Å; H182-E185 IonicContact ND1-OE2 3.53Å; H182-E185 PolarHBondContact O-N 2.95Å; H182-W199 HydrophobicContact CB-CH2 4.11Å; H182-W199 HydrophobicContact CB-CZ2 4.29Å
183F91.2Very high88.2Confident130 Ų130106.9 Ų106.957%0.5756%0.563SS**THydrogen-bonded Turntrans-62.3-32.2-177.6-177.3-95000113.9P180 D181P180-F183 HydrophobicContact CB-CB 4.39Å; P180-F183 WeakPolarHBondContact O-CB 3.31Å; P180-F183 PolarHBondContact O-N 3.28Å; D181-F183 PolarHBondContact O-N 3.37Å; D181-F183 VanDerWaalsContact O-N 3.09Å
184W92.5Very high88.6Confident193 Ų193103.7 Ų103.773%0.73155%0.551SS**THydrogen-bonded Turntrans-99.810.6-178.4-64.5113.2000114.1S179 H182 V186S179-W184 PolarHBondContact OG-NE1 3.37Å; H182-W184 VanDerWaalsContact C-N 3.29Å; H182-W184 PolarHBondContact O-N 3.19Å; W184-V186 PolarHBondContact O-N 2.92Å
185E91.5Very high88.9Confident81 Ų81103 Ų10338%0.37955%0.552SS.*  trans-73.5119.1174.9-69.5-179.5-178.300109.8H182 R197H182-E185 HydrophobicContact CB-CG 4.3Å; H182-E185 IonicContact CE1-OE1 3.69Å; H182-E185 IonicContact CG-OE1 3.58Å; H182-E185 IonicContact CG-OE2 3.88Å; H182-E185 VanDerWaalsContact ND1-CD 3.34Å; H182-E185 IonicContact ND1-OE1 2.68Å; H182-E185 PolarHBondContact ND1-OE1 3.04Å; H182-E185 IonicContact ND1-OE2 3.53Å; H182-E185 PolarHBondContact O-N 2.95Å; E185-R197 IonicContact OE1-NH2 3.17Å; E185-R197 IonicContact OE2-CZ 2.71Å; E185-R197 IonicContact OE2-NH1 2.78Å; E185-R197 PolarHBondContact OE2-NH1 2.79Å; E185-R197 IonicContact OE2-NH2 3.17Å; E185-R197 PolarHBondContact OE2-NH2 2.77Å
186V91.5Very high89.4Confident143 Ų143105.1 Ų105.187%0.86755%0.554SS**  trans-81.5-22.5-178.8-175.80000111.3W184W184-V186 PolarHBondContact O-N 2.92Å
187S90.1Very high89.7Confident85 Ų85103.4 Ų103.459%0.59454%0.536SS*.SBendtrans-81.2142.6178.650.90000111.9
188F88.1Confident89.7Confident200 Ų200101.2 Ų101.288%0.87753%0.53SS*.PPolyproline II helixtrans-67127.9168.7-62.2-72.8000109.5
189P89Confident89.6Confident27 Ų2798.5 Ų98.518%0.17552%0.515CS..PPolyproline II helixtrans-63.4142.3172.327.5-34.8000109.8E193 L194 W199P189-E193 VanDerWaalsContact CA-OE2 3.31Å; P189-E193 WeakPolarHBondContact CA-OE2 3.18Å; P189-E193 HydrophobicContact CB-CB 3.95Å; P189-L194 HydrophobicContact CB-CD2 4.22Å; P189-L194 HydrophobicContact CB-CG 4.15Å; P189-L194 HydrophobicContact CG-CD2 3.42Å; P189-L194 VanDerWaalsContact CG-CD2 3.42Å; P189-L194 HydrophobicContact CG-CG 3.77Å; P189-W199 HydrophobicContact CG-CE3 4.32Å; P189-W199 HydrophobicContact CG-CZ3 4.04Å
190S90.4Very high89.3Confident51 Ų5198.4 Ų98.436%0.35751%0.509SS..PPolyproline II helixtrans-63.9159171.163.30000110.7P192 E193 L194S190-P192 VanDerWaalsContact C-CD 3.49Å; S190-P192 WeakPolarHBondContact OG-CG 3.45Å; S190-E193 PolarHBondContact N-OE2 3.21Å; S190-E193 WeakPolarHBondContact O-CB 3.36Å; S190-E193 PolarHBondContact O-N 2.95Å; S190-E193 VanDerWaalsContact OG-CG 3.22Å; S190-E193 WeakPolarHBondContact OG-CG 2.91Å; S190-E193 PolarHBondContact OG-OE2 3.35Å; S190-E193 VanDerWaalsContact OG-OE2 3.04Å; S190-L194 PolarHBondContact O-N 3.06Å
191T89Confident89.1Confident101 Ų10198.9 Ų98.962%0.6251%0.507SS*.Hα-helixtrans-54.6-39.9177.252.90000114.3L194 I195T191-L194 PolarHBondContact O-N 2.93Å; T191-I195 WeakPolarHBondContact O-CD1 3.47Å; T191-I195 WeakPolarHBondContact O-CG1 3.22Å; T191-I195 PolarHBondContact O-N 3.44Å
192P90.6Very high88.6Confident80 Ų8096.6 Ų96.652%0.51949%0.494SS..Hα-helixtrans-64.6-39.9172.824.4-34.1000112.6S190 L194 I195 E196S190-P192 VanDerWaalsContact C-CD 3.49Å; S190-P192 WeakPolarHBondContact OG-CG 3.45Å; P192-L194 VanDerWaalsContact C-N 3.34Å; P192-L194 PolarHBondContact O-N 3.44Å; P192-I195 PolarHBondContact O-N 3.49Å; P192-E196 PolarHBondContact O-N 2.93Å
193E89.3Confident88.1Confident77 Ų7799.6 Ų99.636%0.3651%0.508SS..Hα-helixtrans-65.7-35.9178.8-71.6168.7163.100112.3P189 S190 I195 E196 R197P189-E193 VanDerWaalsContact CA-OE2 3.31Å; P189-E193 WeakPolarHBondContact CA-OE2 3.18Å; P189-E193 HydrophobicContact CB-CB 3.95Å; S190-E193 PolarHBondContact N-OE2 3.21Å; S190-E193 WeakPolarHBondContact O-CB 3.36Å; S190-E193 PolarHBondContact O-N 2.95Å; S190-E193 VanDerWaalsContact OG-CG 3.22Å; S190-E193 WeakPolarHBondContact OG-CG 2.91Å; S190-E193 PolarHBondContact OG-OE2 3.35Å; S190-E193 VanDerWaalsContact OG-OE2 3.04Å; E193-I195 VanDerWaalsContact C-N 3.26Å; E193-I195 PolarHBondContact O-N 3.37Å; E193-E196 PolarHBondContact O-N 3.37Å; E193-R197 WeakPolarHBondContact O-CB 3.47Å; E193-R197 WeakPolarHBondContact O-CD 3.47Å; E193-R197 WeakPolarHBondContact O-CG 3.39Å; E193-R197 PolarHBondContact O-N 3.07Å
194L89.8Confident87.4Confident43 Ų4397.9 Ų97.923%0.22551%0.508CS..Hα-helixtrans-60.1-37.4174.8-77.9171.7000112.5P189 S190 T191 P192 G198 W199 L200P189-L194 HydrophobicContact CB-CD2 4.22Å; P189-L194 HydrophobicContact CB-CG 4.15Å; P189-L194 HydrophobicContact CG-CD2 3.42Å; P189-L194 VanDerWaalsContact CG-CD2 3.42Å; P189-L194 HydrophobicContact CG-CG 3.77Å; S190-L194 PolarHBondContact O-N 3.06Å; T191-L194 PolarHBondContact O-N 2.93Å; P192-L194 VanDerWaalsContact C-N 3.34Å; P192-L194 PolarHBondContact O-N 3.44Å; L194-G198 PolarHBondContact O-N 3.42Å; L194-W199 HydrophobicContact CD2-CB 3.92Å; L194-W199 HydrophobicContact CD2-CD2 4.32Å; L194-W199 HydrophobicContact CD2-CE3 3.57Å; L194-W199 HydrophobicContact CD2-CZ3 4.43Å; L194-W199 PolarHBondContact O-N 3.46Å; L194-L200 HydrophobicContact CB-CB 3.93Å; L194-L200 PolarHBondContact O-N 2.85Å
195I89.2Confident86.3Confident68 Ų6891.3 Ų91.335%0.34950%0.496SS..Hα-helixtrans-73.6-44.7179.2-61.4157.6000109.9T191 P192 E193 R197 G198 L200 L202T191-I195 WeakPolarHBondContact O-CD1 3.47Å; T191-I195 WeakPolarHBondContact O-CG1 3.22Å; T191-I195 PolarHBondContact O-N 3.44Å; P192-I195 PolarHBondContact O-N 3.49Å; E193-I195 VanDerWaalsContact C-N 3.26Å; E193-I195 PolarHBondContact O-N 3.37Å; I195-R197 VanDerWaalsContact C-N 3.26Å; I195-R197 PolarHBondContact O-N 3.15Å; I195-G198 WeakPolarHBondContact O-CA 3.42Å; I195-G198 PolarHBondContact O-N 3.29Å; I195-L200 HydrophobicContact CG1-CB 4.36Å; I195-L200 HydrophobicContact CG1-CD2 4.38Å; I195-L202 HydrophobicContact CD1-CD1 3.41Å; I195-L202 VanDerWaalsContact CD1-CD1 3.41Å; I195-L202 HydrophobicContact CD1-CD2 3.92Å; I195-L202 HydrophobicContact CD1-CG 3.56Å; I195-L202 HydrophobicContact CG1-CD1 4.3Å; I195-L202 HydrophobicContact CG1-CD2 4.49Å; I195-L202 HydrophobicContact CG1-CG 4.01Å
196E89.5Confident85.2Confident170 Ų17095.3 Ų95.379%0.79451%0.507SS*.Hα-helixtrans-59.8-38.2177.2-172.4174.4-161.800111.8P192 E193 G198P192-E196 PolarHBondContact O-N 2.93Å; E193-E196 PolarHBondContact O-N 3.37Å; E196-G198 PolarHBondContact O-N 3.23Å
197R88.6Confident83.8Confident57 Ų5796.5 Ų96.522%0.21550%0.501CS..THydrogen-bonded Turntrans-74.8-9.1174.5-66.4169.1-168.9-156-1.9113.7E185 E193 I195 W199E185-R197 IonicContact OE1-NH2 3.17Å; E185-R197 IonicContact OE2-CZ 2.71Å; E185-R197 IonicContact OE2-NH1 2.78Å; E185-R197 PolarHBondContact OE2-NH1 2.79Å; E185-R197 IonicContact OE2-NH2 3.17Å; E185-R197 PolarHBondContact OE2-NH2 2.77Å; E193-R197 WeakPolarHBondContact O-CB 3.47Å; E193-R197 WeakPolarHBondContact O-CD 3.47Å; E193-R197 WeakPolarHBondContact O-CG 3.39Å; E193-R197 PolarHBondContact O-N 3.07Å; I195-R197 VanDerWaalsContact C-N 3.26Å; I195-R197 PolarHBondContact O-N 3.15Å; R197-W199 VanDerWaalsContact C-N 3.28Å; R197-W199 HydrophobicContact CB-CD2 4.21Å; R197-W199 HydrophobicContact CB-CG 4.13Å; R197-W199 PolarHBondContact O-N 3.47Å
198G86.6Confident82.4Confident50 Ų5095.6 Ų95.652%0.51551%0.505SS..THydrogen-bonded Turntrans71.817.3-176.200000114.4L194 I195 E196L194-G198 PolarHBondContact O-N 3.42Å; I195-G198 WeakPolarHBondContact O-CA 3.42Å; I195-G198 PolarHBondContact O-N 3.29Å; E196-G198 PolarHBondContact O-N 3.23Å
199W85.8Confident81.1Confident144 Ų14494.1 Ų94.155%0.54550%0.501SS..SBendtrans-83.3-19.9178.3-64.91000112.5H182 P189 L194 R197H182-W199 HydrophobicContact CB-CH2 4.11Å; H182-W199 HydrophobicContact CB-CZ2 4.29Å; P189-W199 HydrophobicContact CG-CE3 4.32Å; P189-W199 HydrophobicContact CG-CZ3 4.04Å; L194-W199 HydrophobicContact CD2-CB 3.92Å; L194-W199 HydrophobicContact CD2-CD2 4.32Å; L194-W199 HydrophobicContact CD2-CE3 3.57Å; L194-W199 HydrophobicContact CD2-CZ3 4.43Å; L194-W199 PolarHBondContact O-N 3.46Å; R197-W199 VanDerWaalsContact C-N 3.28Å; R197-W199 HydrophobicContact CB-CD2 4.21Å; R197-W199 HydrophobicContact CB-CG 4.13Å; R197-W199 PolarHBondContact O-N 3.47Å
200L85.5Confident79Confident57 Ų57103.1 Ų103.130%0.29855%0.547SS..  trans-130121.2178.6-174.968.6000111.1L194 I195 L202L194-L200 HydrophobicContact CB-CB 3.93Å; L194-L200 PolarHBondContact O-N 2.85Å; I195-L200 HydrophobicContact CG1-CB 4.36Å; I195-L200 HydrophobicContact CG1-CD2 4.38Å; L200-L202 HydrophobicContact CD2-CD2 4.34Å
201N85.3Confident78.4Confident100 Ų100105.7 Ų105.754%0.53556%0.557SS.*  trans-95.9108.6170.2-66.4-38.7000109.5E203 T204 A205N201-E203 PolarHBondContact O-N 3.25Å; N201-T204 HydrophobicContact CB-CG2 4.27Å; N201-T204 WeakPolarHBondContact CB-OG1 3.45Å; N201-T204 PolarHBondContact O-N 3.21Å; N201-T204 PolarHBondContact O-OG1 3.28Å; N201-A205 PolarHBondContact O-N 3.19Å
202L79.4Confident77.9Confident92 Ų92105.9 Ų105.948%0.48255%0.554SS.*Hα-helixtrans-62.3-23.1179.6-74178.1000113.7I195 L200 R206I195-L202 HydrophobicContact CD1-CD1 3.41Å; I195-L202 VanDerWaalsContact CD1-CD1 3.41Å; I195-L202 HydrophobicContact CD1-CD2 3.92Å; I195-L202 HydrophobicContact CD1-CG 3.56Å; I195-L202 HydrophobicContact CG1-CD1 4.3Å; I195-L202 HydrophobicContact CG1-CD2 4.49Å; I195-L202 HydrophobicContact CG1-CG 4.01Å; L200-L202 HydrophobicContact CD2-CD2 4.34Å; L202-R206 WeakPolarHBondContact O-CG 3.48Å; L202-R206 PolarHBondContact O-NE 3.27Å
203E77.4Confident77.2Confident143 Ų143107.4 Ų107.467%0.66856%0.556SS**Hα-helixtrans-72.3-37.3177.6-61.7-173.3171.900112.6N201N201-E203 PolarHBondContact O-N 3.25Å
204T76.5Confident76.5Confident93 Ų93109.2 Ų109.257%0.57157%0.567SS**Hα-helixtrans-78.2-34.5179.455.70000111.2N201 R206 K207N201-T204 HydrophobicContact CB-CG2 4.27Å; N201-T204 WeakPolarHBondContact CB-OG1 3.45Å; N201-T204 PolarHBondContact O-N 3.21Å; N201-T204 PolarHBondContact O-OG1 3.28Å; T204-R206 VanDerWaalsContact C-N 3.31Å; T204-R206 PolarHBondContact O-N 3.41Å; T204-K207 PolarHBondContact O-N 3.4Å
205A70.1Confident75.6Confident56 Ų56113.3 Ų113.346%0.46359%0.588SS.*Hα-helixtrans-61.6-38.3178.800000112.4N201 K207N201-A205 PolarHBondContact O-N 3.19Å; A205-K207 VanDerWaalsContact C-N 3.32Å; A205-K207 PolarHBondContact O-N 2.92Å
206R66.8Low74.7Confident165 Ų165116.3 Ų116.362%0.62360%0.604SS**G310 helixtrans-74.9-14.5-179.8-70.2-174.8-70.5143.6-6114.7L202 T204 G208L202-R206 WeakPolarHBondContact O-CG 3.48Å; L202-R206 PolarHBondContact O-NE 3.27Å; T204-R206 VanDerWaalsContact C-N 3.31Å; T204-R206 PolarHBondContact O-N 3.41Å; R206-G208 VanDerWaalsContact C-N 3.28Å; R206-G208 PolarHBondContact O-N 3.42Å
207K63.8Low73.7Confident167 Ų167112.5 Ų112.573%0.72659%0.591SS**G310 helixtrans-80.1-4.7-177.4-78179.5179.41760114.1T204 A205T204-K207 PolarHBondContact O-N 3.4Å; A205-K207 VanDerWaalsContact C-N 3.32Å; A205-K207 PolarHBondContact O-N 2.92Å
208G60.3Low72.5Confident67 Ų67116.8 Ų116.869%0.69162%0.62SS**G310 helixtrans-93.2-0.4177.800000115.5R206R206-G208 VanDerWaalsContact C-N 3.28Å; R206-G208 PolarHBondContact O-N 3.42Å
209E60.6Low71.4Confident169 Ų169122.3 Ų122.379%0.7963%0.628SS**  trans-109.26.3-173-69.9-178147.900114.6
210N44.9Very low70.1Confident215 Ų215120.4 Ų120.4100%1.1564%0.636SS**  trans-118.60171.6-65.7-43.3000110.6

Retrieved 210 of 210 residues in 114.5 ms (Link to these results)