A0A077Z3N0_TRITR Loading...

Homeobox protein MSX-2

AlphaFold DB , UniProt , Accession A0A077Z3N0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 242 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
1M46.3Very low52.9Low232 Ų232161.8 Ų161.8100%1.14387%0.866SS**  0125.90-77.9172.1168.800106.7
2E50Low53.1Low202 Ų202160.3 Ų160.394%0.94486%0.856SS**  trans64131.2165.9-54.6179.1124.800116.5
3G51.3Low53.1Low75 Ų75156.4 Ų156.477%0.77386%0.86SS**  cis172.4122.60.700000105.9
4N46.6Very low53.3Low167 Ų167153.1 Ų153.189%0.89385%0.854SS**  trans-69.9129.4173.5-75.5-55.4000109.8
5R60.4Low53.6Low236 Ų236150.8 Ų150.889%0.89185%0.853SS**  trans-139.2111.8155.1-87.6-172.7178.6157.30.1109.5
6S53.6Low53.8Low118 Ų118151.2 Ų151.283%0.82585%0.851SS**  trans-97.4118.6165.6-45.10000106.5
7D62.8Low54.5Low154 Ų154149.1 Ų149.182%0.82484%0.844SS**  trans-120.8122.6166.2-92.1-47.4000108.7
8G51.4Low55.1Low79 Ų79146.1 Ų146.181%0.81484%0.841SS**  trans-71144.8176.700000111.6
9R51.8Low55.5Low249 Ų249146.7 Ų146.794%0.9484%0.84SS**  trans-136.396.5164.8-157.2171.8-1791710.4109.1
10S56.6Low55.9Low99 Ų99148.3 Ų148.369%0.69284%0.839SS**  trans-82.6158.9166.939.80000111.1
11E51.6Low56.4Low169 Ų169149.8 Ų149.879%0.7984%0.837SS**  trans72.9133.6169.4-52.8-158.686.900115.3
12L54.9Low57.3Low143 Ų143144.1 Ų144.175%0.74981%0.81SS**  cis-150.5131.235.1-74.1161.3000108.9S14L12-S14 PolarHBondContact O-N 3.4Å
13A53.4Low58.1Low110 Ų110140.3 Ų140.391%0.90980%0.803SS**  trans-79.2104.2165.200000108.9
14S55.6Low58.7Low110 Ų110144 Ų14477%0.76980%0.798SS**  trans-87.8108.6171.516.10000110.1L12 L16L12-S14 PolarHBondContact O-N 3.4Å; S14-L16 PolarHBondContact O-N 3.42Å
15S57.7Low59.5Low119 Ų119136.9 Ų136.983%0.83276%0.764SS**PPolyproline II helixtrans-46.3120.7171.7-172.50000112.6
16L57.3Low59.8Low157 Ų157130 Ų13082%0.82275%0.748SS**PPolyproline II helixtrans-81.4136.1169.2-73.2176.3000110S14S14-L16 PolarHBondContact O-N 3.42Å
17P65.3Low60.6Low115 Ų115129.6 Ų129.675%0.74773%0.733SS**PPolyproline II helixtrans-64.9137-179.526.4-33.2000111.3I19P17-I19 PolarHBondContact O-N 2.97Å
18A66Low60.6Low95 Ų95126.6 Ų126.679%0.78572%0.724SS**PPolyproline II helixtrans-52.9120.9174.700000110.8Q20A18-Q20 PolarHBondContact O-N 3.11Å
19I61.6Low61.3Low159 Ų159130.4 Ų130.482%0.81573%0.725SS**  trans-60.6109.9170.7-63.7173.7000107.2P17 K21P17-I19 PolarHBondContact O-N 2.97Å; I19-K21 PolarHBondContact O-N 3.47Å
20Q63.1Low62.1Low178 Ų178124.2 Ų124.283%0.83271%0.71SS**  trans-60.6110171.7-66.9-177.36.400107.9A18 L22A18-Q20 PolarHBondContact O-N 3.11Å; Q20-L22 PolarHBondContact O-N 3.24Å
21K67Low62.3Low179 Ų179123.9 Ų123.978%0.77871%0.707SS**  trans-61.1111.7174-72-174.7178-171.40108.2I19I19-K21 PolarHBondContact O-N 3.47Å
22L64.5Low62.8Low113 Ų113121.9 Ų121.959%0.59271%0.707SS**  trans-61.3140.9174-71162.2000109.3Q20 F24 G25Q20-L22 PolarHBondContact O-N 3.24Å; L22-F24 HydrophobicContact CB-CD1 4.32Å; L22-F24 HydrophobicContact CB-CD2 4.12Å; L22-F24 HydrophobicContact CB-CE1 3.89Å; L22-F24 HydrophobicContact CB-CE2 3.68Å; L22-F24 HydrophobicContact CB-CG 4.44Å; L22-F24 HydrophobicContact CB-CZ 3.57Å; L22-F24 HydrophobicContact CD1-CE2 3.72Å; L22-F24 HydrophobicContact CD1-CZ 3.67Å; L22-F24 HydrophobicContact CD2-CE1 4.06Å; L22-F24 HydrophobicContact CD2-CZ 3.71Å; L22-F24 HydrophobicContact CG-CE1 4.42Å; L22-F24 HydrophobicContact CG-CE2 4.16Å; L22-F24 HydrophobicContact CG-CZ 3.83Å; L22-F24 PolarHBondContact O-N 2.99Å; L22-G25 PolarHBondContact O-N 3.23Å
23P66.9Low63.1Low122 Ų122120.6 Ų120.679%0.79271%0.707SS**THydrogen-bonded Turntrans-671.8-172.626.1-34.2000114.8
24F64.3Low63.2Low154 Ų154123.6 Ų123.668%0.67570%0.701SS**THydrogen-bonded Turntrans-117.921.5-177.443.3-96.6000112.9L22 V26L22-F24 HydrophobicContact CB-CD1 4.32Å; L22-F24 HydrophobicContact CB-CD2 4.12Å; L22-F24 HydrophobicContact CB-CE1 3.89Å; L22-F24 HydrophobicContact CB-CE2 3.68Å; L22-F24 HydrophobicContact CB-CG 4.44Å; L22-F24 HydrophobicContact CB-CZ 3.57Å; L22-F24 HydrophobicContact CD1-CE2 3.72Å; L22-F24 HydrophobicContact CD1-CZ 3.67Å; L22-F24 HydrophobicContact CD2-CE1 4.06Å; L22-F24 HydrophobicContact CD2-CZ 3.71Å; L22-F24 HydrophobicContact CG-CE1 4.42Å; L22-F24 HydrophobicContact CG-CE2 4.16Å; L22-F24 HydrophobicContact CG-CZ 3.83Å; L22-F24 PolarHBondContact O-N 2.99Å; F24-V26 PolarHBondContact O-N 3.3Å
25G64.1Low63.4Low17 Ų17124 Ų12418%0.17570%0.699CS.*  trans-54.8134172.500000112.4L22 E27 S28L22-G25 PolarHBondContact O-N 3.23Å; G25-E27 WeakPolarHBondContact CA-OE1 3.46Å; G25-E27 PolarHBondContact O-N 3.34Å; G25-S28 PolarHBondContact O-N 3.12Å; G25-S28 VanDerWaalsContact O-N 3.14Å
26V66.7Low63.5Low92 Ų92123.1 Ų123.156%0.55869%0.69SS**THydrogen-bonded Turntrans-57.7-18.7174.638.40000112F24 S28 L29 I30F24-V26 PolarHBondContact O-N 3.3Å; V26-S28 PolarHBondContact O-N 3.36Å; V26-L29 PolarHBondContact O-N 3.02Å; V26-I30 HydrophobicContact CG2-CD1 3.42Å; V26-I30 VanDerWaalsContact CG2-CD1 3.42Å; V26-I30 HydrophobicContact CG2-CG1 4.11Å; V26-I30 PolarHBondContact O-N 3.37Å
27E69.2Low63.2Low109 Ų109127 Ų12751%0.50969%0.694SS.*Hα-helixtrans-52.8-32.817133-100.6116.100114.5G25 L29 I30 S31G25-E27 WeakPolarHBondContact CA-OE1 3.46Å; G25-E27 PolarHBondContact O-N 3.34Å; E27-L29 VanDerWaalsContact C-N 3.3Å; E27-L29 PolarHBondContact O-N 2.79Å; E27-I30 PolarHBondContact O-N 2.84Å; E27-S31 PolarHBondContact O-N 2.91Å; E27-S31 PolarHBondContact O-OG 3.39Å
28S62.9Low62.6Low91 Ų91128.3 Ų128.364%0.63670%0.695SS**Hα-helixtrans-72.5-23176.9-58.50000113.3G25 V26G25-S28 PolarHBondContact O-N 3.12Å; G25-S28 VanDerWaalsContact O-N 3.14Å; V26-S28 PolarHBondContact O-N 3.36Å
29L67.5Low61.9Low158 Ų158129.3 Ų129.383%0.82769%0.693SS**Hα-helixtrans-87.6-17.7179.9-68.2166.2000112.8V26 E27V26-L29 PolarHBondContact O-N 3.02Å; E27-L29 VanDerWaalsContact C-N 3.3Å; E27-L29 PolarHBondContact O-N 2.79Å
30I68.5Low61.1Low120 Ų120125.2 Ų125.262%0.61569%0.69SS**Hα-helixtrans-98.3-18.4-176.8-58.9159000111.5V26 E27 T32V26-I30 HydrophobicContact CG2-CD1 3.42Å; V26-I30 VanDerWaalsContact CG2-CD1 3.42Å; V26-I30 HydrophobicContact CG2-CG1 4.11Å; V26-I30 PolarHBondContact O-N 3.37Å; E27-I30 PolarHBondContact O-N 2.84Å; I30-T32 VanDerWaalsContact C-N 3.31Å; I30-T32 PolarHBondContact O-N 3.21Å
31S60.2Low60.5Low91 Ų91121.1 Ų121.164%0.63669%0.687SS**  trans-70.688175.5-62.30000109.9E27 P33E27-S31 PolarHBondContact O-N 2.91Å; E27-S31 PolarHBondContact O-OG 3.39Å; S31-P33 WeakPolarHBondContact O-CD 3.19Å
32T61.1Low59.1Low128 Ų128118.9 Ų118.979%0.78568%0.684SS**  trans-66.8121.5167.516.30000107.3I30 H34I30-T32 VanDerWaalsContact C-N 3.31Å; I30-T32 PolarHBondContact O-N 3.21Å; T32-H34 PolarHBondContact O-N 3.01Å; T32-H34 VanDerWaalsContact O-N 3.12Å
33P62.7Low58.4Low115 Ų115124.9 Ų124.975%0.74770%0.699SS**  trans-60.8121.6173.821.5-28.6000108.7S31 V35S31-P33 WeakPolarHBondContact O-CD 3.19Å; P33-V35 PolarHBondContact O-N 3.04Å
34H54.2Low57.8Low173 Ų173122.9 Ų122.980%0.80168%0.684SS**  trans-62.599.8173.3174.8-82.8000108.6T32 P36T32-H34 PolarHBondContact O-N 3.01Å; T32-H34 VanDerWaalsContact O-N 3.12Å; H34-P36 WeakPolarHBondContact O-CD 3.47Å
35V59.6Low57.3Low118 Ų118121.8 Ų121.872%0.71569%0.69SS**  trans-75.2122.3170.3-179.30000107.7P33 R37P33-V35 PolarHBondContact O-N 3.04Å; V35-R37 PolarHBondContact O-N 3.06Å
36P60.2Low56.3Low101 Ų101129.6 Ų129.666%0.65672%0.722SS**  trans-59124.1172.7-18.130000109.7H34 N38H34-P36 WeakPolarHBondContact O-CD 3.47Å; P36-N38 PolarHBondContact O-N 3.24Å; P36-N38 VanDerWaalsContact O-N 3.11Å
37R52.4Low55.3Low239 Ų239134.6 Ų134.690%0.90274%0.742SS**  trans-67.6103.1175.6-174.6-174.5-68.4-167.3-1.3108.6V35 P39V35-R37 PolarHBondContact O-N 3.06Å; R37-P39 WeakPolarHBondContact O-CD 3.34Å
38N51.4Low54.4Low142 Ų142138.8 Ų138.876%0.75976%0.761SS**  trans-87.1115.1163-165.6-24.9000108.2P36 G40P36-N38 PolarHBondContact O-N 3.24Å; P36-N38 VanDerWaalsContact O-N 3.11Å; N38-G40 PolarHBondContact O-N 2.87Å
39P52.1Low53.8Low116 Ų116139.1 Ų139.175%0.75377%0.769SS**  trans-85.2106.8176.831.4-26.2000109.5R37R37-P39 WeakPolarHBondContact O-CD 3.34Å
40G44.5Very low53Low73 Ų73139.5 Ų139.575%0.75377%0.773SS**  trans130.468.6168.900000114.1N38N38-G40 PolarHBondContact O-N 2.87Å
41A49.7Very low52Low92 Ų92139.5 Ų139.576%0.7678%0.78SS**  trans-149.593.415700000107.3W43A41-W43 PolarHBondContact O-N 3.03Å
42D39.3Very low51.3Low132 Ų132139 Ų13971%0.70679%0.789SS**  trans-60.7116167.4-161-14.7000107.4T44D42-T44 PolarHBondContact O-N 3.49Å; D42-T44 WeakPolarHBondContact OD1-CB 3.15Å; D42-T44 PolarHBondContact OD1-N 3.45Å; D42-T44 PolarHBondContact OD1-OG1 3.38Å
43W48.2Very low50.8Low240 Ų240142.7 Ų142.791%0.90979%0.794SS**  trans-81.14.3-179.656.9-86.8000112.1A41A41-W43 PolarHBondContact O-N 3.03Å
44T55.5Low49.9Very low80 Ų80141.6 Ų141.649%0.49180%0.795SS.*SBendtrans-91.3121.9178.7-35.30000108.8D42D42-T44 PolarHBondContact O-N 3.49Å; D42-T44 WeakPolarHBondContact OD1-CB 3.15Å; D42-T44 PolarHBondContact OD1-N 3.45Å; D42-T44 PolarHBondContact OD1-OG1 3.38Å
45T53.2Low49.8Very low130 Ų130140.8 Ų140.880%0.79880%0.796SS**  trans88.877.4168-42.40000116.9
46Q44.1Very low49.2Very low182 Ų182143.1 Ų143.185%0.8580%0.799SS**  trans-165.686.9142.7-154.5129.331.800112.6
47M45.3Very low48.6Very low197 Ų197143.4 Ų143.497%0.9780%0.799SS**  trans-147.585.6159.8-86.3-64.7148.100108.8
48Q50.6Low48.2Very low197 Ų197143 Ų14392%0.92180%0.797SS**  trans-148.6103.2169.6-169.6152.529.600110.1
49A50.6Low47.8Very low97 Ų97141 Ų14180%0.80280%0.795SS**  trans167.893.3154.600000107.4
50N50Low47.2Very low167 Ų167140.8 Ų140.889%0.89380%0.796SS**  83.613796.3-137.118.4000114.5
51P47.9Very low47.5Very low120 Ų120145.2 Ų145.278%0.77980%0.801SS**  trans-105.2168.4-157.240.3-32.3000114.5
52G44.7Very low47.4Very low79 Ų79146.4 Ų146.481%0.81480%0.799SS**  trans-150.2132.1172.800000111.8
53K50.8Low47.3Very low206 Ų206151 Ų15190%0.89681%0.807SS**  trans-78.3149.3-174.6-62.6174.8174.4-1790113.2
54A43.4Very low47Very low93 Ų93144.9 Ų144.977%0.76980%0.796SS**  trans-176.1104.314200000107.1
55L52.5Low46.5Very low155 Ų155149.5 Ų149.581%0.81281%0.812SS**  37.6103.681-73.3166.6000112.8
56E46Very low46.1Very low168 Ų168151.4 Ų151.479%0.78581%0.812SS**  180126.1108.5-114.4150.283.500114.3
57T48.2Very low46.2Very low106 Ų106147.3 Ų147.365%0.6580%0.801SS**  trans43.2120.5132.650.60000121.6
58R44.4Very low46.3Very low231 Ų231145.1 Ų145.187%0.87279%0.793SS**  117.4146.399.8-93.1172.2138.7-153.4-5.4108
59S43.4Very low46Very low101 Ų101139.7 Ų139.771%0.70678%0.781SS**  cis-163.2151.4-3.4-79.40000107.3
60S39.7Very low46Very low111 Ų111146 Ų14678%0.77678%0.784SS**  trans-63.2153.5170.3-44.50000113.7
61L50.2Low45.8Very low166 Ų166143.2 Ų143.287%0.86977%0.773SS**  trans-162.2119.2142.9-120.184.4000111.7
62T47.8Very low46.2Very low117 Ų117145.9 Ų145.972%0.71877%0.773SS**  trans50.6107.2135.6-17.20000119.7
63R37.1Very low46.7Very low228 Ų228149.2 Ų149.286%0.8677%0.772SS**  56.4110.976.6-153.5-165.2-168162.64.1115
64T42.5Very low46.3Very low111 Ų111147.1 Ų147.168%0.68177%0.769SS**  154.9137.1114.5-60.10000113.2
65Q45Very low47Very low177 Ų177148.2 Ų148.283%0.82777%0.768SS**  trans85.9104.3154.1-99.2179.4-22.900122.3
66E43.4Very low46.7Very low170 Ų170146.9 Ų146.979%0.79477%0.766SS**  trans-83.3155.3137.7-94.3-75.2134.400108.2
67P46.9Very low47Very low96 Ų96145 Ų14562%0.62377%0.766SS**  -159.3179.18744.3-23.8000117.9
68L47.9Very low46.8Very low152 Ų152147.3 Ų147.380%0.79677%0.774SS**  trans93.398.3151.3-65.8169.9000119.5
69A43.4Very low47Very low82 Ų82143.4 Ų143.468%0.67877%0.77SS**  52.394.9122.900000118.1
70R51.6Low46.7Very low229 Ų229147.2 Ų147.286%0.86478%0.777SS**  trans-98.582152.5-81.5-177.9167.7-174.8-0.8110.2F72R70-F72 HydrophobicContact CB-CD2 4.32Å; R70-F72 HydrophobicContact CB-CE2 4.27Å; R70-F72 HydrophobicContact CG-CE2 4.43Å; R70-F72 PolarHBondContact O-N 3.21Å
71T46Very low47Very low109 Ų109146.3 Ų146.367%0.66977%0.771SS**  trans-69.4106.7158.4-60.40000107.9L73T71-L73 HydrophobicContact CG2-CD2 4.04Å; T71-L73 HydrophobicContact CG2-CG 4.06Å
72F55.7Low47Very low176 Ų176143.2 Ų143.277%0.77276%0.763SS**  trans-96.5102.4163.7-87.6-85.1000108.5R70R70-F72 HydrophobicContact CB-CD2 4.32Å; R70-F72 HydrophobicContact CB-CE2 4.27Å; R70-F72 HydrophobicContact CG-CE2 4.43Å; R70-F72 PolarHBondContact O-N 3.21Å
73L54.5Low47.1Very low150 Ų150148.7 Ų148.779%0.78577%0.77SS**PPolyproline II helixtrans-66.4130.7169-66.3171.6000109.6T71T71-L73 HydrophobicContact CG2-CD2 4.04Å; T71-L73 HydrophobicContact CG2-CG 4.06Å
74L42.4Very low47.5Very low162 Ų162143.5 Ų143.585%0.84877%0.766SS**PPolyproline II helixtrans-67.1136.5164.9-76.2150.2000109.7V76L74-V76 PolarHBondContact O-N 3.14Å
75P59.6Low48Very low115 Ų115146.1 Ų146.175%0.74778%0.775SS**PPolyproline II helixtrans-79.2116.3162.430-26.8000109.3
76V46.1Very low48.5Very low127 Ų127145 Ų14577%0.7777%0.772SS**PPolyproline II helixtrans-68.3121.9155.4167.30000107.1L74L74-V76 PolarHBondContact O-N 3.14Å
77V50.6Low49.3Very low130 Ų130142.4 Ų142.479%0.78877%0.769SS**  trans-132.8105.1157.1-155.60000107.4
78L45.3Very low49.2Very low154 Ų154147.2 Ų147.281%0.80678%0.781SS**  trans-61.8124.4162-79.7156.7000108.2
79N48.2Very low49Very low148 Ų148150.6 Ų150.679%0.79178%0.783SS**  trans-148.7102.6147.7-169.832.6000109.3S81N79-S81 PolarHBondContact O-N 2.84Å
80E36.9Very low49.5Very low182 Ų182153.3 Ų153.385%0.8579%0.785SS**  trans-72.7104169.3-169.7100.6159.800108.2
81S46.1Very low49.3Very low92 Ų92147.3 Ų147.364%0.64377%0.774SS**  trans-158.7106.2155.1-148.30000111.5N79N79-S81 PolarHBondContact O-N 2.84Å
82S49.9Very low49.3Very low101 Ų101148.9 Ų148.971%0.70678%0.778SS**  trans50.892.4134.4-51.80000117
83R49.8Very low48.8Very low231 Ų231146.9 Ų146.987%0.87278%0.775SS**  trans-169.7112.6143.4-101.5156.9-141.8-82.35.3109.9L85R83-L85 PolarHBondContact O-N 3.36Å; R83-L85 VanDerWaalsContact O-N 3.1Å
84P45.6Very low48.3Very low120 Ų120146 Ų14678%0.77978%0.78SS**  trans-77.697.7171.130.5-27.7000108
85L53.2Low47.9Very low166 Ų166147.8 Ų147.887%0.86978%0.777SS**  trans-81.3116.5162.5-80.6173.1000108R83R83-L85 PolarHBondContact O-N 3.36Å; R83-L85 VanDerWaalsContact O-N 3.1Å
86M55.9Low46.8Very low153 Ų153150.1 Ų150.175%0.75478%0.776SS**  trans-41.8140-174.6-60-65.9162.300113F88M86-F88 PolarHBondContact O-N 3.45Å
87P59.4Low46.4Very low115 Ų115149 Ų14975%0.74777%0.774SS**  trans-63.5115.6172.826.3-30.8000108.2R89P87-R89 VanDerWaalsContact C-N 3.34Å; P87-R89 PolarHBondContact O-N 3.49Å
88F45.8Very low45.7Very low198 Ų198150.1 Ų150.187%0.86877%0.77SS**  trans-54.9105.2162.4-103.4-93.8000106.9M86 I90M86-F88 PolarHBondContact O-N 3.45Å; F88-I90 VanDerWaalsContact C-N 3.27Å; F88-I90 PolarHBondContact O-N 3.2Å
89R42.6Very low45.6Very low223 Ų223153.8 Ų153.884%0.84277%0.773SS**  trans-62.297.4164.2-71.6-171.4176.3-176.80.1106P87 T91P87-R89 VanDerWaalsContact C-N 3.34Å; P87-R89 PolarHBondContact O-N 3.49Å; R89-T91 PolarHBondContact O-N 3.07Å
90I53.9Low45.4Very low139 Ų139152.2 Ų152.271%0.71377%0.774SS**  trans-70.887.1154.3-63.2173000104F88 N92F88-I90 VanDerWaalsContact C-N 3.27Å; F88-I90 PolarHBondContact O-N 3.2Å; I90-N92 PolarHBondContact O-N 2.99Å
91T48.3Very low45.8Very low102 Ų102150.7 Ų150.763%0.62677%0.771SS**  trans-55.8113.4165.2-3.60000105.9R89 N93R89-T91 PolarHBondContact O-N 3.07Å; T91-N93 PolarHBondContact O-N 3.38Å
92N45.9Very low45.9Very low142 Ų142155 Ų15576%0.75978%0.782SS**  trans-65.672.4163.5-70.8-41.6000107.6I90 C94I90-N92 PolarHBondContact O-N 2.99Å; N92-C94 PolarHBondContact O-N 3.46Å
93N44.2Very low46Very low134 Ų134155.3 Ų155.372%0.71778%0.784SS**  trans-8161.5168.4-96.129.6000108.8T91 Y95T91-N93 PolarHBondContact O-N 3.38Å; N93-Y95 VanDerWaalsContact C-N 3.34Å
94C44.6Very low46.1Very low131 Ų131152.7 Ų152.789%0.88578%0.781SS**  trans-110.545.3146.8-60.80000106.8N92N92-C94 PolarHBondContact O-N 3.46Å
95Y35Very low46.2Very low201 Ų201151.7 Ų151.779%0.78877%0.774SS**  trans-97.8109.9164.8-137.1-93.3000105.7N93 S97N93-Y95 VanDerWaalsContact C-N 3.34Å; Y95-S97 PolarHBondContact O-N 3.37Å
96F36.1Very low46.3Very low164 Ų164148.6 Ų148.672%0.71976%0.762SS**  trans-49.5104.5166.5-175.8-104.7000107.3E98F96-E98 HydrophobicContact CD1-CB 4.49Å; F96-E98 HydrophobicContact CD1-CG 4.11Å; F96-E98 HydrophobicContact CE1-CG 3.7Å; F96-E98 PolarHBondContact O-N 2.91Å; F96-E98 VanDerWaalsContact O-N 3.15Å
97S37.4Very low46.3Very low103 Ų103150 Ų15072%0.7276%0.764SS**  trans-82.292.3175.5-131.10000106.6Y95 R99Y95-S97 PolarHBondContact O-N 3.37Å; S97-R99 VanDerWaalsContact C-N 3.28Å; S97-R99 PolarHBondContact O-N 3.32Å
98E34.6Very low46.2Very low153 Ų153151.8 Ų151.872%0.71577%0.768SS**  trans-61.491.7161.5-116.6154.7-167.600107.6F96F96-E98 HydrophobicContact CD1-CB 4.49Å; F96-E98 HydrophobicContact CD1-CG 4.11Å; F96-E98 HydrophobicContact CE1-CG 3.7Å; F96-E98 PolarHBondContact O-N 2.91Å; F96-E98 VanDerWaalsContact O-N 3.15Å
99R44.3Very low46.6Very low232 Ų232148.6 Ų148.688%0.87576%0.755SS**  trans-10490.8157.1-79.8-169.3-175.5-176.61107.2S97 D101S97-R99 VanDerWaalsContact C-N 3.28Å; S97-R99 PolarHBondContact O-N 3.32Å; R99-D101 PolarHBondContact O-N 3.17Å
100S43.4Very low47Very low114 Ų114144.3 Ų144.380%0.79775%0.745SS**  trans-70.7102.5163.2-48.70000107.6
101D46.8Very low47Very low150 Ų150142.2 Ų142.280%0.80275%0.749SS**  trans-137.1129.2154.6-151.5-4.2000109.5R99 S103R99-D101 PolarHBondContact O-N 3.17Å; D101-S103 PolarHBondContact O-N 3.14Å
102Q47Very low47.4Very low184 Ų184142.8 Ų142.886%0.8675%0.747SS**  trans-75.7110.9-164.4-69.3168.915.700109.6
103S51.1Low47.9Very low107 Ų107143.2 Ų143.275%0.74875%0.746SS**  trans-136.7127.7157.951.90000109.1D101D101-S103 PolarHBondContact O-N 3.14Å
104H52.2Low48.4Very low175 Ų175145.4 Ų145.481%0.8175%0.75SS**  trans-63.8123.5-173.7-62-97.6000109.8T106H104-T106 PolarHBondContact O-N 3.48Å; H104-T106 VanDerWaalsContact O-N 3.17Å
105P49.3Very low48.4Very low99 Ų99144.2 Ų144.264%0.64374%0.741SS**  trans-72.9113.2175.227.2-30.5000109.1
106T54Low49.4Very low101 Ų101143.2 Ų143.262%0.6274%0.744SS**  trans-55.7137.5164.242.10000109.4H104 D108 E109H104-T106 PolarHBondContact O-N 3.48Å; H104-T106 VanDerWaalsContact O-N 3.17Å; T106-D108 PolarHBondContact O-N 3.16Å; T106-E109 PolarHBondContact O-N 2.91Å
107K57.3Low50.8Low182 Ų182142.4 Ų142.479%0.79175%0.746SS**THydrogen-bonded Turntrans-59.3-12.1-166.3-74176.3176.4173.80115.4
108D55.7Low52.1Low154 Ų154146.6 Ų146.682%0.82475%0.751SS**THydrogen-bonded Turntrans-97.6-4.4-174.5-60.8-42.2000115.1T106T106-D108 PolarHBondContact O-N 3.16Å
109E54Low53.5Low130 Ų130149.1 Ų149.161%0.60776%0.76SS**SBendtrans-92.4-2.4178-148.9179.2149.200113.8T106 A111 L112T106-E109 PolarHBondContact O-N 2.91Å; E109-A111 PolarHBondContact O-N 3.23Å; E109-A111 VanDerWaalsContact O-N 3.08Å; E109-L112 PolarHBondContact O-N 3.14Å
110Q52.5Low54.5Low134 Ų134145.3 Ų145.363%0.62675%0.752SS**THydrogen-bonded Turntrans-73.20.5-178.4-62.6-172.210.200114.5
111A52.9Low55.5Low95 Ų95148.7 Ų148.779%0.78575%0.752SS**THydrogen-bonded Turntrans-85.2-6.8173.500000113.6E109 M113E109-A111 PolarHBondContact O-N 3.23Å; E109-A111 VanDerWaalsContact O-N 3.08Å; A111-M113 PolarHBondContact O-N 3.29Å
112L57.8Low56.6Low113 Ų113145.2 Ų145.259%0.59275%0.752SS**SBendtrans-76.4105.4178.4-163.260.7000110.3E109E109-L112 PolarHBondContact O-N 3.14Å
113M55.2Low57.7Low152 Ų152143.5 Ų143.575%0.74975%0.749SS**  trans64.554.3161.94.1-176.114900117.8A111 C115A111-M113 PolarHBondContact O-N 3.29Å; M113-C115 PolarHBondContact O-N 2.91Å
114K54.6Low59.2Low180 Ų180147.3 Ų147.378%0.78375%0.747SS**  trans-7388.9144.5-102.7147.9-178.6168.30108.4Q116K114-Q116 VanDerWaalsContact C-N 3.27Å; K114-Q116 PolarHBondContact O-N 3.12Å
115C46.1Very low60.7Low105 Ų105148 Ų14871%0.70975%0.748SS**  trans-55.998.9159.9-88.20000107.5M113 L117M113-C115 PolarHBondContact O-N 2.91Å; C115-L117 HydrophobicContact CB-CG 4.3Å; C115-L117 PolarHBondContact O-N 3.33Å
116Q55.5Low62.6Low180 Ų180148.9 Ų148.984%0.84175%0.753SS**  trans-69.358.3168.8-65.9-92.23600108.4K114 K118K114-Q116 VanDerWaalsContact C-N 3.27Å; K114-Q116 PolarHBondContact O-N 3.12Å; Q116-K118 VanDerWaalsContact C-N 3.33Å; Q116-K118 PolarHBondContact O-N 2.82Å
117L66Low64.4Low148 Ų148155 Ų15578%0.77577%0.765SS**  trans-62.6106.6161.1-70.4169.1000104.1C115 K119C115-L117 HydrophobicContact CB-CG 4.3Å; C115-L117 PolarHBondContact O-N 3.33Å; L117-K119 PolarHBondContact O-N 3.37Å
118K64.4Low66.1Low190 Ų190152 Ų15283%0.82676%0.762SS**  trans-33.3108.5169.4-91.9169.6167.7165.90106.7Q116 H120Q116-K118 VanDerWaalsContact C-N 3.33Å; Q116-K118 PolarHBondContact O-N 2.82Å; K118-H120 PolarHBondContact O-N 2.96Å
119K63.8Low68Low207 Ų207149.9 Ų149.990%0.976%0.757SS**  trans-58.693.1-176.9-170.4174.2-177.6179.90105.1L117 K121L117-K119 PolarHBondContact O-N 3.37Å; K119-K121 PolarHBondContact O-N 3.43Å
120H64.1Low70.1Confident152 Ų152146.4 Ų146.470%0.70474%0.74SS**  trans-57.5117.1-178.9-101.4-91.6000104.5K118 G122K118-H120 PolarHBondContact O-N 2.96Å; H120-G122 PolarHBondContact O-N 3.28Å
121K65.8Low72.3Confident184 Ų184143.7 Ų143.780%0.873%0.732SS**  trans-38.5113.4-178.7-168.6122.5166.9175.10107.4K119 N123K119-K121 PolarHBondContact O-N 3.43Å; K121-N123 HydrophobicContact CG-CB 4.45Å; K121-N123 PolarHBondContact O-N 3.17Å
122G70.3Confident74.5Confident78 Ų78144.3 Ų144.380%0.80473%0.726SS**SBendtrans-64.718.9-170.100000114.8H120 R124H120-G122 PolarHBondContact O-N 3.28Å; G122-R124 PolarHBondContact O-N 3.08Å
123N69.7Low76.4Confident147 Ų147144 Ų14479%0.78672%0.722SS**  trans-83.824-179.9-160.711.7000112.8K121K121-N123 HydrophobicContact CG-CB 4.45Å; K121-N123 PolarHBondContact O-N 3.17Å
124R82.9Confident78.5Confident188 Ų188138 Ų13871%0.70969%0.692SS**SBendtrans-100.2131.6170.4-67.5-170.8177.5-1630.1107.5G122G122-R124 PolarHBondContact O-N 3.08Å
125K83.5Confident80.6Confident190 Ų190133 Ų13383%0.82667%0.673SS**PPolyproline II helixtrans-50134.5173.1-81.29075.4172.20108.9R127K125-R127 PolarHBondContact O-N 3.03Å
126P89.2Confident83.1Confident117 Ų117133 Ų13376%0.7667%0.666SS**PPolyproline II helixtrans-55.1140.9177.223.9-33000109.4
127R90.7Very high85.1Confident228 Ų228127.1 Ų127.186%0.8664%0.638SS**PPolyproline II helixtrans-76.7125.5174.9-68.1-172.8176.5104.3-6.1108.4K125K125-R127 PolarHBondContact O-N 3.03Å
128T93.3Very high86.7Confident121 Ų121120.1 Ų120.174%0.74260%0.601SS**PPolyproline II helixtrans-83.7120.4171.4-49.50000109.4
129P96.1Very high88.3Confident108 Ų108113.5 Ų113.570%0.70157%0.573SS**PPolyproline II helixtrans-70152.9173.930.7-34.3000110.7
130F98Very high90Very high58 Ų58110.2 Ų110.225%0.25456%0.555SS.*PPolyproline II helixtrans-73.5143.9168.3-60.9-50000110.2Q134 L135 L138 L162 Q166 W170F130-Q134 HydrophobicContact CB-CB 4.27Å; F130-L135 HydrophobicContact CB-CD2 3.86Å; F130-L135 HydrophobicContact CB-CG 4Å; F130-L135 HydrophobicContact CD2-CD2 4.15Å; F130-L135 HydrophobicContact CG-CD2 4.48Å; F130-L138 HydrophobicContact CD2-CD1 4.5Å; F130-L162 HydrophobicContact CD1-CD1 4.02Å; F130-L162 HydrophobicContact CD1-CD2 3.81Å; F130-L162 HydrophobicContact CE1-CD1 3.9Å; F130-L162 HydrophobicContact CE1-CD2 3.7Å; F130-L162 HydrophobicContact CE1-CG 4.45Å; F130-Q166 HydrophobicContact CE1-CB 4.18Å; F130-Q166 HydrophobicContact CE1-CG 4.34Å; F130-Q166 HydrophobicContact CZ-CB 4.07Å; F130-Q166 HydrophobicContact CZ-CG 4.38Å; F130-W170 AromaticContact CD2-CD1 3.81Å; F130-W170 HydrophobicContact CE2-CB 4.27Å; F130-W170 AromaticContact CE2-CD1 3.64Å; F130-W170 HydrophobicContact CE2-CG 4.31Å
131T98.4Very high91.6Very high76 Ų76105.7 Ų105.747%0.46653%0.534SS..PPolyproline II helixtrans-69.8158.8175.570.10000110.9H133 Q134 L135T131-H133 VanDerWaalsContact C-N 3.26Å; T131-H133 PolarHBondContact O-N 2.91Å; T131-Q134 WeakPolarHBondContact O-CB 3.44Å; T131-Q134 PolarHBondContact O-N 3.49Å; T131-Q134 VanDerWaalsContact O-N 3.13Å; T131-Q134 VanDerWaalsContact OG1-CG 3.31Å; T131-Q134 WeakPolarHBondContact OG1-CG 3.17Å; T131-Q134 PolarHBondContact OG1-N 2.93Å; T131-L135 WeakPolarHBondContact O-CG 3.46Å; T131-L135 PolarHBondContact O-N 3.23Å
132T98.2Very high93.2Very high108 Ų10897.3 Ų97.366%0.66350%0.497SS*.Hα-helixtrans-56.1-41.9175.9-520000111.8Q134 L135 L136T132-Q134 PolarHBondContact O-N 2.78Å; T132-L135 PolarHBondContact O-N 3.39Å; T132-L136 HydrophobicContact CG2-CD1 4.32Å; T132-L136 VanDerWaalsContact O-CG 3.32Å; T132-L136 WeakPolarHBondContact O-CG 3.42Å; T132-L136 PolarHBondContact O-N 2.76Å
133H98.5Very high94.5Very high108 Ų108101.5 Ų101.550%0.549%0.493SS..Hα-helixtrans-57.8-48175.5174.1-95000112.2T131 L135 L136 H137T131-H133 VanDerWaalsContact C-N 3.26Å; T131-H133 PolarHBondContact O-N 2.91Å; H133-L135 PolarHBondContact O-N 3Å; H133-L136 PolarHBondContact O-N 2.81Å; H133-H137 AromaticContact CD2-NE2 3.98Å; H133-H137 AromaticContact NE2-CD2 3.84Å; H133-H137 AromaticContact NE2-CE1 3.71Å; H133-H137 AromaticContact NE2-NE2 3.42Å; H133-H137 PolarHBondContact NE2-NE2 3.4Å; H133-H137 PolarHBondContact O-CD2 3.35Å; H133-H137 PolarHBondContact O-N 3.29Å; H133-H137 VanDerWaalsContact O-N 3.16Å
134Q98.6Very high95.9Very high25 Ų25101 Ų10112%0.11749%0.486CS..Hα-helixtrans-59.7-46.4177-72.8170.2-22.900111.4F130 T131 T132 L136 H137 L138 L160F130-Q134 HydrophobicContact CB-CB 4.27Å; T131-Q134 WeakPolarHBondContact O-CB 3.44Å; T131-Q134 PolarHBondContact O-N 3.49Å; T131-Q134 VanDerWaalsContact O-N 3.13Å; T131-Q134 VanDerWaalsContact OG1-CG 3.31Å; T131-Q134 WeakPolarHBondContact OG1-CG 3.17Å; T131-Q134 PolarHBondContact OG1-N 2.93Å; T132-Q134 PolarHBondContact O-N 2.78Å; Q134-L136 PolarHBondContact O-N 2.74Å; Q134-H137 PolarHBondContact O-N 3.42Å; Q134-L138 WeakPolarHBondContact O-CB 3.34Å; Q134-L138 WeakPolarHBondContact O-CD1 3.41Å; Q134-L138 VanDerWaalsContact O-CG 3.25Å; Q134-L138 WeakPolarHBondContact O-CG 3.42Å; Q134-L138 PolarHBondContact O-N 2.9Å; Q134-L160 HydrophobicContact CG-CB 4.48Å; Q134-L160 PolarHBondContact NE2-O 3.15Å
135L98.6Very high96.6Very high75 Ų7596.2 Ų96.239%0.39347%0.47SS..Hα-helixtrans-61-41.4179.3-68.1174.3000112.5F130 T131 T132 H133 L138 E139F130-L135 HydrophobicContact CB-CD2 3.86Å; F130-L135 HydrophobicContact CB-CG 4Å; F130-L135 HydrophobicContact CD2-CD2 4.15Å; F130-L135 HydrophobicContact CG-CD2 4.48Å; T131-L135 WeakPolarHBondContact O-CG 3.46Å; T131-L135 PolarHBondContact O-N 3.23Å; T132-L135 PolarHBondContact O-N 3.39Å; H133-L135 PolarHBondContact O-N 3Å; L135-L138 PolarHBondContact O-N 3.29Å; L135-E139 WeakPolarHBondContact O-CB 3.43Å; L135-E139 PolarHBondContact O-N 2.92Å
136L98.5Very high97.3Very high106 Ų10691.9 Ų91.956%0.55545%0.453SS*.Hα-helixtrans-62.3-44.2177.4-72172.1000111.8T132 H133 Q134 E139 R140T132-L136 HydrophobicContact CG2-CD1 4.32Å; T132-L136 VanDerWaalsContact O-CG 3.32Å; T132-L136 WeakPolarHBondContact O-CG 3.42Å; T132-L136 PolarHBondContact O-N 2.76Å; H133-L136 PolarHBondContact O-N 2.81Å; Q134-L136 PolarHBondContact O-N 2.74Å; L136-E139 PolarHBondContact O-N 3.26Å; L136-R140 WeakPolarHBondContact O-CB 3.49Å; L136-R140 PolarHBondContact O-N 2.92Å
137H98.6Very high97.7Very high56 Ų5693.5 Ų93.526%0.25945%0.445SS..Hα-helixtrans-68.3-42.5178.5-80.6-129.4000111.8H133 Q134 E139 R140 K141 F156 L160H133-H137 AromaticContact CD2-NE2 3.98Å; H133-H137 AromaticContact NE2-CD2 3.84Å; H133-H137 AromaticContact NE2-CE1 3.71Å; H133-H137 AromaticContact NE2-NE2 3.42Å; H133-H137 PolarHBondContact NE2-NE2 3.4Å; H133-H137 PolarHBondContact O-CD2 3.35Å; H133-H137 PolarHBondContact O-N 3.29Å; H133-H137 VanDerWaalsContact O-N 3.16Å; Q134-H137 PolarHBondContact O-N 3.42Å; H137-E139 VanDerWaalsContact C-N 3.34Å; H137-E139 PolarHBondContact O-N 2.98Å; H137-R140 PolarHBondContact NE2-NH1 2.98Å; H137-R140 PolarHBondContact O-N 2.66Å; H137-K141 WeakPolarHBondContact O-CB 3.27Å; H137-K141 PolarHBondContact O-N 3.24Å; H137-F156 HydrophobicContact CB-CZ 4.39Å; H137-L160 HydrophobicContact CB-CD1 4.12Å; H137-L160 HydrophobicContact CB-CD2 3.59Å; H137-L160 HydrophobicContact CB-CG 4.45Å
138L98.9Very high98.1Very high0 Ų083.6 Ų83.60%041%0.409CS..Hα-helixtrans-57-47174.5-77.3160.3000111.2F130 Q134 L135 K141 F142 F156 L160 L162 W170 F171F130-L138 HydrophobicContact CD2-CD1 4.5Å; Q134-L138 WeakPolarHBondContact O-CB 3.34Å; Q134-L138 WeakPolarHBondContact O-CD1 3.41Å; Q134-L138 VanDerWaalsContact O-CG 3.25Å; Q134-L138 WeakPolarHBondContact O-CG 3.42Å; Q134-L138 PolarHBondContact O-N 2.9Å; L135-L138 PolarHBondContact O-N 3.29Å; L138-K141 PolarHBondContact O-N 3.41Å; L138-F142 WeakPolarHBondContact O-CB 3.35Å; L138-F142 PolarHBondContact O-N 3.24Å; L138-F156 HydrophobicContact CD2-CE1 3.72Å; L138-F156 HydrophobicContact CD2-CZ 4.42Å; L138-F156 HydrophobicContact CG-CE1 4.35Å; L138-L160 HydrophobicContact CD2-CD1 4.28Å; L138-L160 HydrophobicContact CG-CD1 3.92Å; L138-L162 HydrophobicContact CD1-CD1 4.31Å; L138-W170 VanDerWaalsContact C-CH2 3.41Å; L138-W170 HydrophobicContact CB-CD2 3.85Å; L138-W170 HydrophobicContact CB-CE3 3.92Å; L138-W170 HydrophobicContact CB-CH2 3.65Å; L138-W170 HydrophobicContact CB-CZ2 3.53Å; L138-W170 HydrophobicContact CB-CZ3 3.83Å; L138-W170 HydrophobicContact CD1-CD2 3.98Å; L138-W170 HydrophobicContact CD1-CG 3.93Å; L138-W170 HydrophobicContact CD2-CB 4.4Å; L138-W170 HydrophobicContact CD2-CD2 3.75Å; L138-W170 HydrophobicContact CD2-CE3 3.68Å; L138-W170 HydrophobicContact CD2-CG 4.05Å; L138-W170 HydrophobicContact CD2-CZ3 4.28Å; L138-W170 HydrophobicContact CG-CD2 4.08Å; L138-W170 HydrophobicContact CG-CE3 4.3Å; L138-W170 HydrophobicContact CG-CG 4.45Å; L138-W170 WeakPolarHBondContact O-CH2 3.4Å; L138-W170 WeakPolarHBondContact O-CZ3 3.25Å; L138-F171 HydrophobicContact CD2-CE2 4.17Å
139E98.7Very high98.3Very high52 Ų5280.4 Ų80.424%0.24339%0.392CS..Hα-helixtrans-67.4-40.7178.1-167.963.9-154.200112.1L135 L136 H137 K141 F142 K143 R174L135-E139 WeakPolarHBondContact O-CB 3.43Å; L135-E139 PolarHBondContact O-N 2.92Å; L136-E139 PolarHBondContact O-N 3.26Å; H137-E139 VanDerWaalsContact C-N 3.34Å; H137-E139 PolarHBondContact O-N 2.98Å; E139-K141 PolarHBondContact O-N 3.37Å; E139-F142 PolarHBondContact O-N 2.94Å; E139-K143 WeakPolarHBondContact O-CG 2.81Å; E139-K143 PolarHBondContact O-N 2.96Å; E139-R174 IonicContact OE1-CZ 3.78Å; E139-R174 IonicContact OE1-NE 2.72Å; E139-R174 PolarHBondContact OE1-NE 3.34Å; E139-R174 IonicContact OE1-NH2 3.86Å; E139-R174 PolarHBondContact OE1-NH2 3.42Å; E139-R174 WeakPolarHBondContact OE2-CD 3.39Å; E139-R174 IonicContact OE2-CZ 3.8Å; E139-R174 IonicContact OE2-NE 3.18Å; E139-R174 PolarHBondContact OE2-NE 2.94Å; E139-R174 IonicContact OE2-NH2 3.41Å
140R98.6Very high98.4Very high138 Ų13879.9 Ų79.952%0.52139%0.387SS..Hα-helixtrans-59.4-47.1175.5-172.6-174.3-67133.5-2.8111.1L136 H137 K143 Q144L136-R140 WeakPolarHBondContact O-CB 3.49Å; L136-R140 PolarHBondContact O-N 2.92Å; H137-R140 PolarHBondContact NE2-NH1 2.98Å; H137-R140 PolarHBondContact O-N 2.66Å; R140-K143 PolarHBondContact O-N 3.08Å; R140-Q144 PolarHBondContact O-N 3.37Å
141K98.5Very high98.5Very high57 Ų5780.6 Ų80.625%0.24840%0.403CS..Hα-helixtrans-65.3-39.5177.4-167.170.9174.2-176.10111.3H137 L138 E139 K143 Q144 K145 L148 F156 F171H137-K141 WeakPolarHBondContact O-CB 3.27Å; H137-K141 PolarHBondContact O-N 3.24Å; L138-K141 PolarHBondContact O-N 3.41Å; E139-K141 PolarHBondContact O-N 3.37Å; K141-K143 PolarHBondContact O-N 2.72Å; K141-Q144 WeakPolarHBondContact O-CB 3.31Å; K141-Q144 PolarHBondContact O-N 3.31Å; K141-Q144 VanDerWaalsContact O-N 3.14Å; K141-K145 PolarHBondContact O-N 3.05Å; K141-L148 HydrophobicContact CG-CD2 4.18Å; K141-F156 HydrophobicContact CB-CE1 4.01Å; K141-F156 HydrophobicContact CB-CE2 4.05Å; K141-F156 HydrophobicContact CB-CZ 3.61Å; K141-F156 HydrophobicContact CG-CD1 4.4Å; K141-F156 HydrophobicContact CG-CD2 4.48Å; K141-F156 HydrophobicContact CG-CE1 4.13Å; K141-F156 HydrophobicContact CG-CE2 4.23Å; K141-F156 HydrophobicContact CG-CZ 4.04Å; K141-F171 HydrophobicContact CB-CZ 4.3Å; K141-F171 HydrophobicContact CG-CZ 4.13Å
142F98.8Very high98.5Very high7 Ų779.3 Ų79.33%0.03139%0.392CS..Hα-helixtrans-61.7-40.2177.2-175.7-98.7000113.2L138 E139 Q144 K145 Q146 W170 F171 R174 R175L138-F142 WeakPolarHBondContact O-CB 3.35Å; L138-F142 PolarHBondContact O-N 3.24Å; E139-F142 PolarHBondContact O-N 2.94Å; F142-Q144 PolarHBondContact O-N 3.3Å; F142-K145 CarbonylContact O-C 3.47Å; F142-K145 PolarHBondContact O-N 3.45Å; F142-Q146 HydrophobicContact CD2-CB 4.44Å; F142-Q146 HydrophobicContact CD2-CG 4.41Å; F142-Q146 HydrophobicContact CE1-CG 4.17Å; F142-Q146 HydrophobicContact CE2-CB 3.89Å; F142-Q146 HydrophobicContact CE2-CG 3.91Å; F142-Q146 HydrophobicContact CZ-CB 4.2Å; F142-Q146 HydrophobicContact CZ-CG 3.77Å; F142-W170 HydrophobicContact CB-CH2 3.99Å; F142-W170 HydrophobicContact CB-CZ3 3.93Å; F142-W170 HydrophobicContact CD2-CZ3 4.31Å; F142-W170 HydrophobicContact CG-CH2 4.46Å; F142-W170 HydrophobicContact CG-CZ3 4.34Å; F142-F171 HydrophobicContact CB-CE1 4.27Å; F142-F171 AromaticContact CD2-CD1 3.87Å; F142-F171 HydrophobicContact CD2-CD1 3.87Å; F142-F171 AromaticContact CD2-CE1 3.89Å; F142-F171 HydrophobicContact CD2-CE1 3.89Å; F142-R174 HydrophobicContact CB-CG 4.5Å; F142-R174 HydrophobicContact CD1-CG 3.72Å; F142-R174 HydrophobicContact CD2-CB 4.2Å; F142-R174 HydrophobicContact CD2-CG 3.58Å; F142-R174 HydrophobicContact CE1-CG 3.74Å; F142-R174 HydrophobicContact CE2-CB 4.11Å; F142-R174 HydrophobicContact CE2-CG 3.6Å; F142-R174 HydrophobicContact CG-CG 3.65Å; F142-R174 HydrophobicContact CZ-CG 3.69Å; F142-R175 HydrophobicContact CE2-CG 3.77Å; F142-R175 HydrophobicContact CZ-CG 4.19Å
143K98.3Very high98.5Very high166 Ų16676.6 Ų76.672%0.72237%0.369SS*.Hα-helixtrans-61.7-33174.9-72.9177.7179.2-175.10112.4E139 R140 K141E139-K143 WeakPolarHBondContact O-CG 2.81Å; E139-K143 PolarHBondContact O-N 2.96Å; R140-K143 PolarHBondContact O-N 3.08Å; K141-K143 PolarHBondContact O-N 2.72Å
144Q98.1Very high98.5Very high137 Ų13773 Ų7364%0.6436%0.359SS*.Hα-helixtrans-78.4-45.2176.5-64.7170.3-3.600111.9R140 K141 F142R140-Q144 PolarHBondContact O-N 3.37Å; K141-Q144 WeakPolarHBondContact O-CB 3.31Å; K141-Q144 PolarHBondContact O-N 3.31Å; K141-Q144 VanDerWaalsContact O-N 3.14Å; F142-Q144 PolarHBondContact O-N 3.3Å
145K98.3Very high98.5Very high87 Ų8778.9 Ų78.938%0.37839%0.386SS..  trans-150.1116.6-175.4-161.7-177.9-169-178.30111.1K141 F142 Y147 L148 E152 F171K141-K145 PolarHBondContact O-N 3.05Å; F142-K145 CarbonylContact O-C 3.47Å; F142-K145 PolarHBondContact O-N 3.45Å; K145-Y147 VanDerWaalsContact C-N 3.32Å; K145-Y147 VanDerWaalsContact CD-O 3.27Å; K145-Y147 WeakPolarHBondContact CD-O 3.35Å; K145-Y147 WeakPolarHBondContact CE-O 3.3Å; K145-Y147 WeakPolarHBondContact CG-O 3.33Å; K145-Y147 PolarHBondContact O-N 3.49Å; K145-L148 HydrophobicContact CB-CD2 4.36Å; K145-L148 HydrophobicContact CD-CD2 4.25Å; K145-E152 IonicContact NZ-OE1 2.77Å; K145-E152 PolarHBondContact NZ-OE1 3.43Å; K145-E152 IonicContact NZ-OE2 2.66Å; K145-E152 PolarHBondContact NZ-OE2 3.42Å; K145-F171 WeakPolarHBondContact O-CE1 3.39Å
146Q98.3Very high98.5Very high100 Ų10076.3 Ų76.347%0.46737%0.372SS..SBendtrans-79.2-13.3-176.7-61.8-175.7-24.500114.4F142 R175F142-Q146 HydrophobicContact CD2-CB 4.44Å; F142-Q146 HydrophobicContact CD2-CG 4.41Å; F142-Q146 HydrophobicContact CE1-CG 4.17Å; F142-Q146 HydrophobicContact CE2-CB 3.89Å; F142-Q146 HydrophobicContact CE2-CG 3.91Å; F142-Q146 HydrophobicContact CZ-CB 4.2Å; F142-Q146 HydrophobicContact CZ-CG 3.77Å; Q146-R175 PolarHBondContact O-NH1 3.27Å
147Y98.6Very high98.5Very high150 Ų15071.7 Ų71.759%0.58835%0.348SS*.SBendtrans-133.2113.2-179.6-63.5-91.3000109.5K145 R175K145-Y147 VanDerWaalsContact C-N 3.32Å; K145-Y147 VanDerWaalsContact CD-O 3.27Å; K145-Y147 WeakPolarHBondContact CD-O 3.35Å; K145-Y147 WeakPolarHBondContact CE-O 3.3Å; K145-Y147 WeakPolarHBondContact CG-O 3.33Å; K145-Y147 PolarHBondContact O-N 3.49Å; Y147-R175 VanDerWaalsContact CE1-CD 3.43Å; Y147-R175 VanDerWaalsContact CE1-NE 3.28Å; Y147-R175 WeakPolarHBondContact OH-CD 3.36Å
148L98.2Very high98.5Very high20 Ų2074 Ų7411%0.10537%0.366CS..  trans-92.6137.2176.4-59-176.9000110.7K141 K145 E152 R153 F156 V167 F171K141-L148 HydrophobicContact CG-CD2 4.18Å; K145-L148 HydrophobicContact CB-CD2 4.36Å; K145-L148 HydrophobicContact CD-CD2 4.25Å; L148-E152 HydrophobicContact CB-CB 4.26Å; L148-E152 HydrophobicContact CD2-CB 4.41Å; L148-R153 HydrophobicContact CB-CB 4.49Å; L148-F156 HydrophobicContact CD1-CD1 4.13Å; L148-V167 HydrophobicContact CD1-CG1 4.16Å; L148-F171 HydrophobicContact CD1-CD2 4.14Å; L148-F171 HydrophobicContact CD1-CE1 4.07Å; L148-F171 HydrophobicContact CD1-CE2 3.51Å; L148-F171 HydrophobicContact CD1-CZ 3.47Å; L148-F171 VanDerWaalsContact CD1-CZ 3.47Å; L148-F171 HydrophobicContact CD2-CE1 4.34Å; L148-F171 HydrophobicContact CD2-CZ 4.25Å; L148-F171 HydrophobicContact CG-CD1 4.34Å; L148-F171 HydrophobicContact CG-CE1 3.84Å; L148-F171 HydrophobicContact CG-CE2 4.19Å; L148-F171 HydrophobicContact CG-CZ 3.76Å
149S98.3Very high98.5Very high55 Ų5577.4 Ų77.439%0.38539%0.39SS..  trans-64.9170.5166.881.70000110.7E152 R153S149-E152 WeakPolarHBondContact CB-OE2 3.43Å; S149-E152 PolarHBondContact N-OE2 3.32Å; S149-E152 VanDerWaalsContact OG-CG 3.3Å; S149-E152 WeakPolarHBondContact OG-CG 3.49Å; S149-E152 PolarHBondContact OG-N 3.4Å; S149-E152 PolarHBondContact OG-OE2 2.92Å; S149-R153 WeakPolarHBondContact O-CB 3.49Å; S149-R153 PolarHBondContact O-N 3.43Å
150V98.4Very high98.4Very high97 Ų9775.1 Ų75.159%0.58838%0.379SS*.Hα-helixtrans-62.5-47.5177.2179.20000110.6E152 R153 A154V150-E152 PolarHBondContact O-N 2.85Å; V150-R153 WeakPolarHBondContact O-CB 3.48Å; V150-R153 PolarHBondContact O-N 3.19Å; V150-A154 PolarHBondContact O-N 2.96Å
151A98.4Very high98.4Very high72 Ų7275.5 Ų75.560%0.59539%0.392SS*.Hα-helixtrans-61.3-46.2178.800000112.5R153 A154 E155A151-R153 VanDerWaalsContact C-N 3.26Å; A151-R153 PolarHBondContact O-N 2.93Å; A151-A154 PolarHBondContact O-N 2.99Å; A151-E155 PolarHBondContact O-N 3.2Å; A151-E155 VanDerWaalsContact O-N 3.12Å
152E98.5Very high98.4Very high49 Ų4973.8 Ų73.823%0.22939%0.385CS..Hα-helixtrans-62.6-35.4178.3-69.9171.9138.500112.1K145 L148 S149 V150 F156K145-E152 IonicContact NZ-OE1 2.77Å; K145-E152 PolarHBondContact NZ-OE1 3.43Å; K145-E152 IonicContact NZ-OE2 2.66Å; K145-E152 PolarHBondContact NZ-OE2 3.42Å; L148-E152 HydrophobicContact CB-CB 4.26Å; L148-E152 HydrophobicContact CD2-CB 4.41Å; S149-E152 WeakPolarHBondContact CB-OE2 3.43Å; S149-E152 PolarHBondContact N-OE2 3.32Å; S149-E152 VanDerWaalsContact OG-CG 3.3Å; S149-E152 WeakPolarHBondContact OG-CG 3.49Å; S149-E152 PolarHBondContact OG-N 3.4Å; S149-E152 PolarHBondContact OG-OE2 2.92Å; V150-E152 PolarHBondContact O-N 2.85Å; E152-F156 WeakPolarHBondContact O-CB 3.46Å; E152-F156 PolarHBondContact O-N 3.44Å
153R98.7Very high98.4Very high52 Ų5277 Ų7720%0.19641%0.406CS..Hα-helixtrans-69.1-43.5177.8-171.6-168.5-53.9135.79.2111.3L148 S149 V150 A151 F156 S157 E164 V167L148-R153 HydrophobicContact CB-CB 4.49Å; S149-R153 WeakPolarHBondContact O-CB 3.49Å; S149-R153 PolarHBondContact O-N 3.43Å; V150-R153 WeakPolarHBondContact O-CB 3.48Å; V150-R153 PolarHBondContact O-N 3.19Å; A151-R153 VanDerWaalsContact C-N 3.26Å; A151-R153 PolarHBondContact O-N 2.93Å; R153-F156 PolarHBondContact O-N 3.28Å; R153-S157 WeakPolarHBondContact O-CB 3.28Å; R153-S157 PolarHBondContact O-N 3.15Å; R153-S157 PolarHBondContact O-OG 2.88Å; R153-E164 VanDerWaalsContact CD-O 3.31Å; R153-E164 WeakPolarHBondContact CD-O 3.42Å; R153-E164 HydrophobicContact CG-CB 4.21Å; R153-E164 HydrophobicContact CG-CG 4.33Å; R153-V167 HydrophobicContact CG-CB 4.09Å; R153-V167 HydrophobicContact CG-CG1 3.93Å
154A98.6Very high98.4Very high33 Ų3372.9 Ų72.927%0.27339%0.389SS..Hα-helixtrans-57.7-53.9177.600000110.5V150 A151 F156 S157 T158 E164V150-A154 PolarHBondContact O-N 2.96Å; A151-A154 PolarHBondContact O-N 2.99Å; A154-F156 PolarHBondContact O-N 2.9Å; A154-S157 PolarHBondContact O-N 2.95Å; A154-S157 PolarHBondContact O-OG 2.86Å; A154-T158 PolarHBondContact O-N 3.04Å; A154-T158 PolarHBondContact O-OG1 3.36Å; A154-E164 HydrophobicContact CB-CG 4.47Å
155E98.6Very high98.4Very high147 Ų14770.6 Ų70.669%0.68738%0.384SS*.Hα-helixtrans-56.7-48.7177.6-173.8-171177.200112.2A151 S157 T158 S159A151-E155 PolarHBondContact O-N 3.2Å; A151-E155 VanDerWaalsContact O-N 3.12Å; E155-S157 PolarHBondContact O-N 2.76Å; E155-T158 PolarHBondContact O-N 3.1Å; E155-S159 PolarHBondContact O-N 2.97Å
156F98.5Very high98.4Very high22 Ų2269.7 Ų69.710%0.09638%0.381CS..Hα-helixtrans-67.6-36.1-177.1-171.9-125.8000112.8H137 L138 K141 L148 E152 R153 A154 S159 L160 V167 F171H137-F156 HydrophobicContact CB-CZ 4.39Å; L138-F156 HydrophobicContact CD2-CE1 3.72Å; L138-F156 HydrophobicContact CD2-CZ 4.42Å; L138-F156 HydrophobicContact CG-CE1 4.35Å; K141-F156 HydrophobicContact CB-CE1 4.01Å; K141-F156 HydrophobicContact CB-CE2 4.05Å; K141-F156 HydrophobicContact CB-CZ 3.61Å; K141-F156 HydrophobicContact CG-CD1 4.4Å; K141-F156 HydrophobicContact CG-CD2 4.48Å; K141-F156 HydrophobicContact CG-CE1 4.13Å; K141-F156 HydrophobicContact CG-CE2 4.23Å; K141-F156 HydrophobicContact CG-CZ 4.04Å; L148-F156 HydrophobicContact CD1-CD1 4.13Å; E152-F156 WeakPolarHBondContact O-CB 3.46Å; E152-F156 PolarHBondContact O-N 3.44Å; R153-F156 PolarHBondContact O-N 3.28Å; A154-F156 PolarHBondContact O-N 2.9Å; F156-S159 PolarHBondContact O-N 2.97Å; F156-S159 PolarHBondContact O-OG 3.05Å; F156-L160 HydrophobicContact CD1-CD1 4.41Å; F156-L160 HydrophobicContact CE1-CD1 3.77Å; F156-L160 HydrophobicContact CE2-CD1 3.9Å; F156-L160 HydrophobicContact CE2-CG 4.24Å; F156-L160 HydrophobicContact CZ-CD1 3.48Å; F156-L160 VanDerWaalsContact CZ-CD1 3.48Å; F156-L160 HydrophobicContact CZ-CG 4.32Å; F156-L160 PolarHBondContact O-N 3.39Å; F156-V167 HydrophobicContact CD1-CG1 3.95Å; F156-F171 HydrophobicContact CD1-CE2 4.44Å; F156-F171 HydrophobicContact CE1-CE2 4.14Å
157S98.6Very high98.4Very high8 Ų865 Ų656%0.05636%0.359CS..Hα-helixtrans-63.5-42.4178.174.10000111.9R153 A154 E155 S159 L160 N161 L162R153-S157 WeakPolarHBondContact O-CB 3.28Å; R153-S157 PolarHBondContact O-N 3.15Å; R153-S157 PolarHBondContact O-OG 2.88Å; A154-S157 PolarHBondContact O-N 2.95Å; A154-S157 PolarHBondContact O-OG 2.86Å; E155-S157 PolarHBondContact O-N 2.76Å; S157-S159 VanDerWaalsContact C-N 3.35Å; S157-S159 PolarHBondContact O-N 2.93Å; S157-L160 PolarHBondContact O-N 2.77Å; S157-N161 PolarHBondContact O-N 3.41Å; S157-N161 VanDerWaalsContact O-N 3.15Å; S157-L162 CarbonylContact C-O 3.38Å; S157-L162 VanDerWaalsContact CB-O 3.26Å; S157-L162 WeakPolarHBondContact CB-O 3.47Å; S157-L162 PolarHBondContact O-N 3.43Å; S157-L162 VanDerWaalsContact O-O 3.1Å
158T98.4Very high98.4Very high105 Ų10563.5 Ų63.564%0.64436%0.356SS*.Hα-helixtrans-59.8-44173.6-55.90000111.5A154 E155 L160 N161A154-T158 PolarHBondContact O-N 3.04Å; A154-T158 PolarHBondContact O-OG1 3.36Å; E155-T158 PolarHBondContact O-N 3.1Å; T158-L160 PolarHBondContact O-N 3.46Å; T158-N161 PolarHBondContact O-N 2.81Å
159S98.2Very high98.4Very high71 Ų7166.5 Ų66.550%0.49737%0.371SS..Hα-helixtrans-63.9-23.1-178.777.30000114.4E155 F156 S157E155-S159 PolarHBondContact O-N 2.97Å; F156-S159 PolarHBondContact O-N 2.97Å; F156-S159 PolarHBondContact O-OG 3.05Å; S157-S159 VanDerWaalsContact C-N 3.35Å; S157-S159 PolarHBondContact O-N 2.93Å
160L98Very high98.4Very high4 Ų465.3 Ų65.32%0.02136%0.359CS..THydrogen-bonded Turntrans-107.72.5-179.2-65.2-175.3000113.8Q134 H137 L138 F156 S157 T158 L162Q134-L160 HydrophobicContact CG-CB 4.48Å; Q134-L160 PolarHBondContact NE2-O 3.15Å; H137-L160 HydrophobicContact CB-CD1 4.12Å; H137-L160 HydrophobicContact CB-CD2 3.59Å; H137-L160 HydrophobicContact CB-CG 4.45Å; L138-L160 HydrophobicContact CD2-CD1 4.28Å; L138-L160 HydrophobicContact CG-CD1 3.92Å; F156-L160 HydrophobicContact CD1-CD1 4.41Å; F156-L160 HydrophobicContact CE1-CD1 3.77Å; F156-L160 HydrophobicContact CE2-CD1 3.9Å; F156-L160 HydrophobicContact CE2-CG 4.24Å; F156-L160 HydrophobicContact CZ-CD1 3.48Å; F156-L160 VanDerWaalsContact CZ-CD1 3.48Å; F156-L160 HydrophobicContact CZ-CG 4.32Å; F156-L160 PolarHBondContact O-N 3.39Å; S157-L160 PolarHBondContact O-N 2.77Å; T158-L160 PolarHBondContact O-N 3.46Å; L160-L162 HydrophobicContact CB-CD1 4.15Å; L160-L162 HydrophobicContact CB-CG 4.07Å; L160-L162 HydrophobicContact CD1-CD1 4.42Å; L160-L162 PolarHBondContact O-N 2.89Å
161N98.2Very high98.4Very high147 Ų14761 Ų6179%0.78633%0.332SS*.THydrogen-bonded Turntrans52.543.7-171.5-54.888.6000112S157 T158S157-N161 PolarHBondContact O-N 3.41Å; S157-N161 VanDerWaalsContact O-N 3.15Å; T158-N161 PolarHBondContact O-N 2.81Å
162L98Very high98.5Very high20 Ų2062.8 Ų62.811%0.10533%0.328CS..  trans-117159.4175.3-65.2-179.1000109.8F130 L138 S157 L160 Q166 V167F130-L162 HydrophobicContact CD1-CD1 4.02Å; F130-L162 HydrophobicContact CD1-CD2 3.81Å; F130-L162 HydrophobicContact CE1-CD1 3.9Å; F130-L162 HydrophobicContact CE1-CD2 3.7Å; F130-L162 HydrophobicContact CE1-CG 4.45Å; L138-L162 HydrophobicContact CD1-CD1 4.31Å; S157-L162 CarbonylContact C-O 3.38Å; S157-L162 VanDerWaalsContact CB-O 3.26Å; S157-L162 WeakPolarHBondContact CB-O 3.47Å; S157-L162 PolarHBondContact O-N 3.43Å; S157-L162 VanDerWaalsContact O-O 3.1Å; L160-L162 HydrophobicContact CB-CD1 4.15Å; L160-L162 HydrophobicContact CB-CG 4.07Å; L160-L162 HydrophobicContact CD1-CD1 4.42Å; L160-L162 PolarHBondContact O-N 2.89Å; L162-Q166 HydrophobicContact CB-CB 4.41Å; L162-V167 HydrophobicContact CB-CG2 4.23Å
163T98.3Very high98.5Very high76 Ų7665.1 Ų65.147%0.46634%0.342SS..  trans-76.9150.3169.262.10000110.7T165 Q166 V167T163-T165 PolarHBondContact O-N 3.29Å; T163-Q166 WeakPolarHBondContact O-CB 3.5Å; T163-Q166 PolarHBondContact O-N 3.4Å; T163-Q166 WeakPolarHBondContact OG1-CB 3.34Å; T163-Q166 VanDerWaalsContact OG1-CG 3.23Å; T163-Q166 WeakPolarHBondContact OG1-CG 3.4Å; T163-Q166 PolarHBondContact OG1-N 3.26Å; T163-Q166 VanDerWaalsContact OG1-N 3.16Å; T163-Q166 PolarHBondContact OG1-OE1 3.45Å; T163-V167 PolarHBondContact O-N 2.97Å; T163-V167 VanDerWaalsContact O-N 3.12Å
164E98.7Very high98.5Very high79 Ų7965.5 Ų65.537%0.36934%0.343SS..Hα-helixtrans-51.7-39.4171.7-72.7-176-109.400112R153 A154 Q166 V167 K168R153-E164 VanDerWaalsContact CD-O 3.31Å; R153-E164 WeakPolarHBondContact CD-O 3.42Å; R153-E164 HydrophobicContact CG-CB 4.21Å; R153-E164 HydrophobicContact CG-CG 4.33Å; A154-E164 HydrophobicContact CB-CG 4.47Å; E164-Q166 PolarHBondContact O-N 3.01Å; E164-V167 PolarHBondContact O-N 2.9Å; E164-K168 WeakPolarHBondContact O-CB 3.45Å; E164-K168 PolarHBondContact O-N 2.81Å
165T98.3Very high98.5Very high88 Ų8867.1 Ų67.154%0.5434%0.342SS..Hα-helixtrans-62.3-41.9177.3-59.40000112.3T163 K168 I169T163-T165 PolarHBondContact O-N 3.29Å; T165-K168 WeakPolarHBondContact O-CB 3.29Å; T165-K168 PolarHBondContact O-N 3.49Å; T165-I169 HydrophobicContact CG2-CD1 3.84Å; T165-I169 HydrophobicContact CG2-CG1 4.43Å; T165-I169 WeakPolarHBondContact O-CB 3.43Å; T165-I169 VanDerWaalsContact O-CG1 3.29Å; T165-I169 WeakPolarHBondContact O-CG1 3.36Å; T165-I169 PolarHBondContact O-N 3.18Å
166Q98.2Very high98.5Very high68 Ų6861.6 Ų61.632%0.31832%0.322SS..Hα-helixtrans-62.5-44.7175.4-78165.4-50.300111.5F130 L162 T163 E164 I169 W170F130-Q166 HydrophobicContact CE1-CB 4.18Å; F130-Q166 HydrophobicContact CE1-CG 4.34Å; F130-Q166 HydrophobicContact CZ-CB 4.07Å; F130-Q166 HydrophobicContact CZ-CG 4.38Å; L162-Q166 HydrophobicContact CB-CB 4.41Å; T163-Q166 WeakPolarHBondContact O-CB 3.5Å; T163-Q166 PolarHBondContact O-N 3.4Å; T163-Q166 WeakPolarHBondContact OG1-CB 3.34Å; T163-Q166 VanDerWaalsContact OG1-CG 3.23Å; T163-Q166 WeakPolarHBondContact OG1-CG 3.4Å; T163-Q166 PolarHBondContact OG1-N 3.26Å; T163-Q166 VanDerWaalsContact OG1-N 3.16Å; T163-Q166 PolarHBondContact OG1-OE1 3.45Å; E164-Q166 PolarHBondContact O-N 3.01Å; Q166-I169 PolarHBondContact O-N 2.92Å; Q166-W170 WeakPolarHBondContact O-CB 3.49Å; Q166-W170 PolarHBondContact O-N 2.94Å
167V98.7Very high98.5Very high1 Ų166.7 Ų66.71%0.00634%0.344CS..Hα-helixtrans-61.6-46.7175.4177.80000110.3L148 R153 F156 L162 T163 E164 I169 W170 F171L148-V167 HydrophobicContact CD1-CG1 4.16Å; R153-V167 HydrophobicContact CG-CB 4.09Å; R153-V167 HydrophobicContact CG-CG1 3.93Å; F156-V167 HydrophobicContact CD1-CG1 3.95Å; L162-V167 HydrophobicContact CB-CG2 4.23Å; T163-V167 PolarHBondContact O-N 2.97Å; T163-V167 VanDerWaalsContact O-N 3.12Å; E164-V167 PolarHBondContact O-N 2.9Å; V167-I169 PolarHBondContact O-N 3.34Å; V167-W170 PolarHBondContact O-N 3.28Å; V167-F171 HydrophobicContact CG1-CD2 3.74Å; V167-F171 HydrophobicContact CG1-CE2 3.84Å; V167-F171 WeakPolarHBondContact O-CD2 3.36Å; V167-F171 PolarHBondContact O-N 2.92Å
168K98.5Very high98.4Very high120 Ų12067.8 Ų67.852%0.52235%0.354SS..Hα-helixtrans-55.4-50.2176.9178.2-175.1174-176.30111.8E164 T165 F171 Q172E164-K168 WeakPolarHBondContact O-CB 3.45Å; E164-K168 PolarHBondContact O-N 2.81Å; T165-K168 WeakPolarHBondContact O-CB 3.29Å; T165-K168 PolarHBondContact O-N 3.49Å; K168-F171 PolarHBondContact O-N 3.49Å; K168-Q172 WeakPolarHBondContact O-CB 3.23Å; K168-Q172 PolarHBondContact O-N 2.99Å
169I98.5Very high98.4Very high82 Ų8268.8 Ų68.842%0.42135%0.349SS..Hα-helixtrans-64.6-43179.7-69.6169.8000110.6T165 Q166 V167 F171 Q172 N173T165-I169 HydrophobicContact CG2-CD1 3.84Å; T165-I169 HydrophobicContact CG2-CG1 4.43Å; T165-I169 WeakPolarHBondContact O-CB 3.43Å; T165-I169 VanDerWaalsContact O-CG1 3.29Å; T165-I169 WeakPolarHBondContact O-CG1 3.36Å; T165-I169 PolarHBondContact O-N 3.18Å; Q166-I169 PolarHBondContact O-N 2.92Å; V167-I169 PolarHBondContact O-N 3.34Å; I169-F171 PolarHBondContact O-N 3.47Å; I169-Q172 PolarHBondContact O-N 3.48Å; I169-N173 WeakPolarHBondContact O-CB 3.46Å; I169-N173 PolarHBondContact O-N 3.39Å; I169-N173 PolarHBondContact O-ND2 3.41Å
170W98.7Very high98.3Very high31 Ų3172.9 Ų72.912%0.11735%0.354CS..Hα-helixtrans-60.3-47.8178-17496.6000111.3F130 L138 F142 Q166 V167 Q172 N173 R174F130-W170 AromaticContact CD2-CD1 3.81Å; F130-W170 HydrophobicContact CE2-CB 4.27Å; F130-W170 AromaticContact CE2-CD1 3.64Å; F130-W170 HydrophobicContact CE2-CG 4.31Å; L138-W170 VanDerWaalsContact C-CH2 3.41Å; L138-W170 HydrophobicContact CB-CD2 3.85Å; L138-W170 HydrophobicContact CB-CE3 3.92Å; L138-W170 HydrophobicContact CB-CH2 3.65Å; L138-W170 HydrophobicContact CB-CZ2 3.53Å; L138-W170 HydrophobicContact CB-CZ3 3.83Å; L138-W170 HydrophobicContact CD1-CD2 3.98Å; L138-W170 HydrophobicContact CD1-CG 3.93Å; L138-W170 HydrophobicContact CD2-CB 4.4Å; L138-W170 HydrophobicContact CD2-CD2 3.75Å; L138-W170 HydrophobicContact CD2-CE3 3.68Å; L138-W170 HydrophobicContact CD2-CG 4.05Å; L138-W170 HydrophobicContact CD2-CZ3 4.28Å; L138-W170 HydrophobicContact CG-CD2 4.08Å; L138-W170 HydrophobicContact CG-CE3 4.3Å; L138-W170 HydrophobicContact CG-CG 4.45Å; L138-W170 WeakPolarHBondContact O-CH2 3.4Å; L138-W170 WeakPolarHBondContact O-CZ3 3.25Å; F142-W170 HydrophobicContact CB-CH2 3.99Å; F142-W170 HydrophobicContact CB-CZ3 3.93Å; F142-W170 HydrophobicContact CD2-CZ3 4.31Å; F142-W170 HydrophobicContact CG-CH2 4.46Å; F142-W170 HydrophobicContact CG-CZ3 4.34Å; Q166-W170 WeakPolarHBondContact O-CB 3.49Å; Q166-W170 PolarHBondContact O-N 2.94Å; V167-W170 PolarHBondContact O-N 3.28Å; W170-Q172 VanDerWaalsContact C-N 3.33Å; W170-Q172 PolarHBondContact O-N 3.45Å; W170-N173 PolarHBondContact O-N 3.38Å; W170-R174 HydrophobicContact CD2-CB 4.5Å; W170-R174 HydrophobicContact CE3-CB 4.12Å; W170-R174 HydrophobicContact CH2-CB 3.98Å; W170-R174 HydrophobicContact CH2-CG 3.67Å; W170-R174 HydrophobicContact CZ2-CB 4.39Å; W170-R174 HydrophobicContact CZ2-CG 4.28Å; W170-R174 HydrophobicContact CZ3-CB 3.85Å; W170-R174 HydrophobicContact CZ3-CG 3.89Å; W170-R174 VanDerWaalsContact O-CB 3.28Å; W170-R174 WeakPolarHBondContact O-CB 3.44Å; W170-R174 PolarHBondContact O-N 3.45Å
171F98.8Very high98.2Very high6 Ų676.2 Ų76.23%0.02637%0.37CS..Hα-helixtrans-61.9-39.7177.4-91.9-97.2000112.2L138 K141 F142 K145 L148 F156 V167 K168 I169 R174 R175L138-F171 HydrophobicContact CD2-CE2 4.17Å; K141-F171 HydrophobicContact CB-CZ 4.3Å; K141-F171 HydrophobicContact CG-CZ 4.13Å; F142-F171 HydrophobicContact CB-CE1 4.27Å; F142-F171 AromaticContact CD2-CD1 3.87Å; F142-F171 HydrophobicContact CD2-CD1 3.87Å; F142-F171 AromaticContact CD2-CE1 3.89Å; F142-F171 HydrophobicContact CD2-CE1 3.89Å; K145-F171 WeakPolarHBondContact O-CE1 3.39Å; L148-F171 HydrophobicContact CD1-CD2 4.14Å; L148-F171 HydrophobicContact CD1-CE1 4.07Å; L148-F171 HydrophobicContact CD1-CE2 3.51Å; L148-F171 HydrophobicContact CD1-CZ 3.47Å; L148-F171 VanDerWaalsContact CD1-CZ 3.47Å; L148-F171 HydrophobicContact CD2-CE1 4.34Å; L148-F171 HydrophobicContact CD2-CZ 4.25Å; L148-F171 HydrophobicContact CG-CD1 4.34Å; L148-F171 HydrophobicContact CG-CE1 3.84Å; L148-F171 HydrophobicContact CG-CE2 4.19Å; L148-F171 HydrophobicContact CG-CZ 3.76Å; F156-F171 HydrophobicContact CD1-CE2 4.44Å; F156-F171 HydrophobicContact CE1-CE2 4.14Å; V167-F171 HydrophobicContact CG1-CD2 3.74Å; V167-F171 HydrophobicContact CG1-CE2 3.84Å; V167-F171 WeakPolarHBondContact O-CD2 3.36Å; V167-F171 PolarHBondContact O-N 2.92Å; K168-F171 PolarHBondContact O-N 3.49Å; I169-F171 PolarHBondContact O-N 3.47Å; F171-R174 PolarHBondContact O-N 3.42Å; F171-R175 WeakPolarHBondContact O-CG 3.36Å; F171-R175 PolarHBondContact O-N 3.44Å
172Q98.6Very high98Very high109 Ų10975.8 Ų75.851%0.50936%0.363SS..Hα-helixtrans-62.6-48.7175.4-173.3176.931.600111.7K168 I169 W170 R174 R175 A176K168-Q172 WeakPolarHBondContact O-CB 3.23Å; K168-Q172 PolarHBondContact O-N 2.99Å; I169-Q172 PolarHBondContact O-N 3.48Å; W170-Q172 VanDerWaalsContact C-N 3.33Å; W170-Q172 PolarHBondContact O-N 3.45Å; Q172-R174 VanDerWaalsContact C-N 3.31Å; Q172-R174 PolarHBondContact O-N 3.41Å; Q172-R175 PolarHBondContact O-N 2.87Å; Q172-A176 PolarHBondContact O-N 2.88Å
173N98.6Very high97.9Very high99 Ų9979.3 Ų79.353%0.52938%0.379SS..Hα-helixtrans-62.3-39.6177-73.8-22000111.6I169 W170 A176 K177I169-N173 WeakPolarHBondContact O-CB 3.46Å; I169-N173 PolarHBondContact O-N 3.39Å; I169-N173 PolarHBondContact O-ND2 3.41Å; W170-N173 PolarHBondContact O-N 3.38Å; N173-A176 PolarHBondContact O-N 3.14Å; N173-K177 WeakPolarHBondContact O-CB 3.34Å; N173-K177 PolarHBondContact O-N 3.16Å
174R98.7Very high97.6Very high59 Ų5979 Ų7922%0.22337%0.374CS..Hα-helixtrans-65.1-41.3179-176.563.3-172.384-0.4112.2E139 F142 W170 F171 Q172 K177 A178E139-R174 IonicContact OE1-CZ 3.78Å; E139-R174 IonicContact OE1-NE 2.72Å; E139-R174 PolarHBondContact OE1-NE 3.34Å; E139-R174 IonicContact OE1-NH2 3.86Å; E139-R174 PolarHBondContact OE1-NH2 3.42Å; E139-R174 WeakPolarHBondContact OE2-CD 3.39Å; E139-R174 IonicContact OE2-CZ 3.8Å; E139-R174 IonicContact OE2-NE 3.18Å; E139-R174 PolarHBondContact OE2-NE 2.94Å; E139-R174 IonicContact OE2-NH2 3.41Å; F142-R174 HydrophobicContact CB-CG 4.5Å; F142-R174 HydrophobicContact CD1-CG 3.72Å; F142-R174 HydrophobicContact CD2-CB 4.2Å; F142-R174 HydrophobicContact CD2-CG 3.58Å; F142-R174 HydrophobicContact CE1-CG 3.74Å; F142-R174 HydrophobicContact CE2-CB 4.11Å; F142-R174 HydrophobicContact CE2-CG 3.6Å; F142-R174 HydrophobicContact CG-CG 3.65Å; F142-R174 HydrophobicContact CZ-CG 3.69Å; W170-R174 HydrophobicContact CD2-CB 4.5Å; W170-R174 HydrophobicContact CE3-CB 4.12Å; W170-R174 HydrophobicContact CH2-CB 3.98Å; W170-R174 HydrophobicContact CH2-CG 3.67Å; W170-R174 HydrophobicContact CZ2-CB 4.39Å; W170-R174 HydrophobicContact CZ2-CG 4.28Å; W170-R174 HydrophobicContact CZ3-CB 3.85Å; W170-R174 HydrophobicContact CZ3-CG 3.89Å; W170-R174 VanDerWaalsContact O-CB 3.28Å; W170-R174 WeakPolarHBondContact O-CB 3.44Å; W170-R174 PolarHBondContact O-N 3.45Å; F171-R174 PolarHBondContact O-N 3.42Å; Q172-R174 VanDerWaalsContact C-N 3.31Å; Q172-R174 PolarHBondContact O-N 3.41Å; R174-K177 PolarHBondContact O-N 2.81Å; R174-A178 PolarHBondContact O-N 3.01Å
175R98.7Very high97.3Very high67 Ų6780.5 Ų80.525%0.25338%0.38SS..Hα-helixtrans-64.7-44.2172.1-72.4-165.9-59.3-86.8-1112F142 Q146 Y147 F171 Q172 K177 A178 K179F142-R175 HydrophobicContact CE2-CG 3.77Å; F142-R175 HydrophobicContact CZ-CG 4.19Å; Q146-R175 PolarHBondContact O-NH1 3.27Å; Y147-R175 VanDerWaalsContact CE1-CD 3.43Å; Y147-R175 VanDerWaalsContact CE1-NE 3.28Å; Y147-R175 WeakPolarHBondContact OH-CD 3.36Å; F171-R175 WeakPolarHBondContact O-CG 3.36Å; F171-R175 PolarHBondContact O-N 3.44Å; Q172-R175 PolarHBondContact O-N 2.87Å; R175-K177 VanDerWaalsContact C-N 3.3Å; R175-K177 PolarHBondContact O-N 3.3Å; R175-A178 WeakPolarHBondContact O-CB 3.37Å; R175-A178 PolarHBondContact O-N 3.17Å; R175-K179 PolarHBondContact O-N 2.78Å
176A98.6Very high96.9Very high32 Ų3278.7 Ų78.726%0.26437%0.371SS..Hα-helixtrans-60.5-40.4175.900000111.7Q172 N173 R180Q172-A176 PolarHBondContact O-N 2.88Å; N173-A176 PolarHBondContact O-N 3.14Å; A176-R180 WeakPolarHBondContact O-CG 3.47Å; A176-R180 PolarHBondContact O-N 2.72Å; A176-R180 VanDerWaalsContact O-N 3.08Å; A176-R180 PolarHBondContact O-NH1 3.06Å
177K98.3Very high96.5Very high129 Ų12978 Ų7856%0.56138%0.377SS*.Hα-helixtrans-63.5-46.8173.1-172.7177-179.5-179.50111.4N173 R174 R175 K179 R180 M181N173-K177 WeakPolarHBondContact O-CB 3.34Å; N173-K177 PolarHBondContact O-N 3.16Å; R174-K177 PolarHBondContact O-N 2.81Å; R175-K177 VanDerWaalsContact C-N 3.3Å; R175-K177 PolarHBondContact O-N 3.3Å; K177-K179 VanDerWaalsContact C-N 3.35Å; K177-K179 PolarHBondContact O-N 3.12Å; K177-R180 PolarHBondContact O-N 3.49Å; K177-M181 HydrophobicContact CG-CG 4.43Å; K177-M181 VanDerWaalsContact O-CG 3.3Å; K177-M181 WeakPolarHBondContact O-CG 3.31Å; K177-M181 PolarHBondContact O-N 3.3Å
178A97.8Very high95.9Very high30 Ų3085.8 Ų85.825%0.24841%0.406CS..Hα-helixtrans-56.4-47.9177.800000111.9R174 R175 R180 M181 Q182R174-A178 PolarHBondContact O-N 3.01Å; R175-A178 WeakPolarHBondContact O-CB 3.37Å; R175-A178 PolarHBondContact O-N 3.17Å; A178-R180 PolarHBondContact O-N 3.3Å; A178-M181 PolarHBondContact O-N 3.28Å; A178-Q182 PolarHBondContact O-N 2.98Å
179K97.9Very high95.3Very high126 Ų12685.8 Ų85.855%0.54841%0.411SS..Hα-helixtrans-58.4-48.5176.7-179.9175171.8176.40111.9R175 K177 M181 Q182 E183R175-K179 PolarHBondContact O-N 2.78Å; K177-K179 VanDerWaalsContact C-N 3.35Å; K177-K179 PolarHBondContact O-N 3.12Å; K179-M181 VanDerWaalsContact C-N 3.31Å; K179-M181 PolarHBondContact O-N 3.48Å; K179-Q182 PolarHBondContact O-N 2.98Å; K179-E183 WeakPolarHBondContact CE-OE1 3.16Å; K179-E183 HydrophobicContact CG-CG 4.47Å; K179-E183 IonicContact NZ-OE1 2.81Å; K179-E183 WeakPolarHBondContact O-CG 3.45Å; K179-E183 PolarHBondContact O-N 3.13Å
180R97.1Very high94.4Very high158 Ų15888.7 Ų88.760%0.59642%0.421SS*.Hα-helixtrans-61-38.7178.2-72-175.5-160.5101.7-4.2112.7A176 K177 A178 M184A176-R180 WeakPolarHBondContact O-CG 3.47Å; A176-R180 PolarHBondContact O-N 2.72Å; A176-R180 VanDerWaalsContact O-N 3.08Å; A176-R180 PolarHBondContact O-NH1 3.06Å; K177-R180 PolarHBondContact O-N 3.49Å; A178-R180 PolarHBondContact O-N 3.3Å; R180-M184 VanDerWaalsContact O-CB 3.31Å; R180-M184 WeakPolarHBondContact O-CB 3.27Å; R180-M184 PolarHBondContact O-N 2.66Å
181M95.7Very high93.3Very high74 Ų7493.9 Ų93.937%0.36545%0.448SS..Hα-helixtrans-65-44.5177.2-66.7-57.1-60.800111.2K177 A178 K179 M184 E185K177-M181 HydrophobicContact CG-CG 4.43Å; K177-M181 VanDerWaalsContact O-CG 3.3Å; K177-M181 WeakPolarHBondContact O-CG 3.31Å; K177-M181 PolarHBondContact O-N 3.3Å; A178-M181 PolarHBondContact O-N 3.28Å; K179-M181 VanDerWaalsContact C-N 3.31Å; K179-M181 PolarHBondContact O-N 3.48Å; M181-M184 HydrophobicContact CE-CE 3.39Å; M181-M184 PolarHBondContact O-N 3.44Å; M181-M184 HydrophobicContact SD-CE 3.57Å; M181-M184 VanDerWaalsContact SD-CE 3.57Å; M181-E185 WeakPolarHBondContact O-CG 3.49Å; M181-E185 PolarHBondContact O-N 3.33Å
182Q93.9Very high92.2Very high138 Ų13897.2 Ų97.265%0.64547%0.472SS*.Hα-helixtrans-62.3-43.3176.6-175.3-178.6-0.500112.2A178 K179 E185 S186A178-Q182 PolarHBondContact O-N 2.98Å; K179-Q182 PolarHBondContact O-N 2.98Å; Q182-E185 PolarHBondContact O-N 2.98Å; Q182-S186 PolarHBondContact O-N 3.25Å
183E94.2Very high90.6Very high94 Ų9495.4 Ų95.444%0.43947%0.471SS..Hα-helixtrans-63.1-44.4176.5-72.6170.3166.500111.3K179 S186 A187K179-E183 WeakPolarHBondContact CE-OE1 3.16Å; K179-E183 HydrophobicContact CG-CG 4.47Å; K179-E183 IonicContact NZ-OE1 2.81Å; K179-E183 WeakPolarHBondContact O-CG 3.45Å; K179-E183 PolarHBondContact O-N 3.13Å; E183-S186 PolarHBondContact O-N 3.46Å; E183-S186 PolarHBondContact O-OG 2.91Å; E183-A187 WeakPolarHBondContact O-CB 3.32Å; E183-A187 PolarHBondContact O-N 3.31Å
184M93.2Very high88.8Confident70 Ų7094.6 Ų94.635%0.34547%0.47SS..Hα-helixtrans-63.4-40.5176.9-179.8177.358.200112.4R180 M181 A187 R188R180-M184 VanDerWaalsContact O-CB 3.31Å; R180-M184 WeakPolarHBondContact O-CB 3.27Å; R180-M184 PolarHBondContact O-N 2.66Å; M181-M184 HydrophobicContact CE-CE 3.39Å; M181-M184 PolarHBondContact O-N 3.44Å; M181-M184 HydrophobicContact SD-CE 3.57Å; M181-M184 VanDerWaalsContact SD-CE 3.57Å; M184-A187 PolarHBondContact O-N 3.42Å; M184-R188 WeakPolarHBondContact O-CB 3.32Å; M184-R188 WeakPolarHBondContact O-CG 3.48Å; M184-R188 PolarHBondContact O-N 2.91Å
185E92.2Very high86.8Confident110 Ų11095.5 Ų95.551%0.51449%0.49SS..Hα-helixtrans-63-44.4174.5-75.6168.9-170.100111.1M181 Q182 A187 R188 L189M181-E185 WeakPolarHBondContact O-CG 3.49Å; M181-E185 PolarHBondContact O-N 3.33Å; Q182-E185 PolarHBondContact O-N 2.98Å; E185-A187 VanDerWaalsContact C-N 3.33Å; E185-A187 PolarHBondContact O-N 3.16Å; E185-R188 PolarHBondContact O-N 3.3Å; E185-L189 WeakPolarHBondContact O-CG 3.32Å; E185-L189 PolarHBondContact O-N 2.78Å
186S89.3Confident84.9Confident50 Ų5099.7 Ų99.735%0.3552%0.517SS..Hα-helixtrans-64.2-36.3176.778.90000113Q182 E183 K190Q182-S186 PolarHBondContact O-N 3.25Å; E183-S186 PolarHBondContact O-N 3.46Å; E183-S186 PolarHBondContact O-OG 2.91Å; S186-K190 VanDerWaalsContact O-CG 3.27Å; S186-K190 WeakPolarHBondContact O-CG 3.31Å; S186-K190 PolarHBondContact O-N 3.23Å; S186-K190 VanDerWaalsContact O-N 3.15Å
187A89.8Confident83.1Confident52 Ų52106.5 Ų106.543%0.4354%0.541SS..Hα-helixtrans-71-39.5176.300000111.6E183 M184 E185 K190 M191E183-A187 WeakPolarHBondContact O-CB 3.32Å; E183-A187 PolarHBondContact O-N 3.31Å; M184-A187 PolarHBondContact O-N 3.42Å; E185-A187 VanDerWaalsContact C-N 3.33Å; E185-A187 PolarHBondContact O-N 3.16Å; A187-K190 PolarHBondContact O-N 3.45Å; A187-M191 WeakPolarHBondContact O-CB 3.38Å; A187-M191 PolarHBondContact O-N 2.88Å
188R87.6Confident81.1Confident165 Ų165109.5 Ų109.562%0.62355%0.554SS**Hα-helixtrans-61-44.4174.3-81178.7162.3158.8-2.5111.9M184 E185 K190 M191 S192M184-R188 WeakPolarHBondContact O-CB 3.32Å; M184-R188 WeakPolarHBondContact O-CG 3.48Å; M184-R188 PolarHBondContact O-N 2.91Å; E185-R188 PolarHBondContact O-N 3.3Å; R188-K190 PolarHBondContact O-N 2.93Å; R188-M191 PolarHBondContact O-N 3.43Å; R188-S192 PolarHBondContact O-N 3.36Å; R188-S192 PolarHBondContact O-OG 2.97Å
189L84.2Confident79.3Confident120 Ų120113.4 Ų113.463%0.62858%0.577SS**Hα-helixtrans-63-41.4177.5-69.8166000111.9E185 S192 S193E185-L189 WeakPolarHBondContact O-CG 3.32Å; E185-L189 PolarHBondContact O-N 2.78Å; L189-S192 WeakPolarHBondContact CA-OG 3.26Å; L189-S192 PolarHBondContact O-N 3.3Å; L189-S192 PolarHBondContact O-OG 3.27Å; L189-S193 PolarHBondContact O-N 3.43Å; L189-S193 VanDerWaalsContact O-N 3.14Å; L189-S193 PolarHBondContact O-OG 3.05Å
190K81.2Confident77.5Confident143 Ų143112.8 Ų112.862%0.62259%0.588SS**Hα-helixtrans-67.3-35.6175.2-70.3171.3-177.5179.70113.3S186 A187 R188 S193 T194S186-K190 VanDerWaalsContact O-CG 3.27Å; S186-K190 WeakPolarHBondContact O-CG 3.31Å; S186-K190 PolarHBondContact O-N 3.23Å; S186-K190 VanDerWaalsContact O-N 3.15Å; A187-K190 PolarHBondContact O-N 3.45Å; R188-K190 PolarHBondContact O-N 2.93Å; K190-S193 PolarHBondContact O-OG 3.45Å; K190-S193 VanDerWaalsContact O-OG 3.12Å; K190-T194 WeakPolarHBondContact O-CG2 3.19Å; K190-T194 PolarHBondContact O-N 3.4Å; K190-T194 PolarHBondContact O-OG1 3.12Å
191M74.9Confident76Confident141 Ų141110.6 Ų110.670%0.69559%0.592SS**Hα-helixtrans-71.8-35.1176.4-155.773.880.800111.3A187 R188 T194 A195A187-M191 WeakPolarHBondContact O-CB 3.38Å; A187-M191 PolarHBondContact O-N 2.88Å; R188-M191 PolarHBondContact O-N 3.43Å; M191-T194 WeakPolarHBondContact CA-OG1 3.48Å; M191-T194 PolarHBondContact O-OG1 3.2Å; M191-A195 PolarHBondContact O-N 3.25Å
192S75.7Confident74.4Confident76 Ų76112.1 Ų112.153%0.53161%0.608SS.*Hα-helixtrans-69.7-30.6175.557.60000113.5R188 L189R188-S192 PolarHBondContact O-N 3.36Å; R188-S192 PolarHBondContact O-OG 2.97Å; L189-S192 WeakPolarHBondContact CA-OG 3.26Å; L189-S192 PolarHBondContact O-N 3.3Å; L189-S192 PolarHBondContact O-OG 3.27Å
193S65Low72.7Confident70 Ų70113 Ų11349%0.4962%0.617SS.*Hα-helixtrans-81.9-24.317858.70000113.7L189 K190L189-S193 PolarHBondContact O-N 3.43Å; L189-S193 VanDerWaalsContact O-N 3.14Å; L189-S193 PolarHBondContact O-OG 3.05Å; K190-S193 PolarHBondContact O-OG 3.45Å; K190-S193 VanDerWaalsContact O-OG 3.12Å
194T60Low70.9Confident83 Ų83114.3 Ų114.351%0.50963%0.631SS.*Hα-helixtrans-81.1-18.2177.745.30000113.5K190 M191 L196 F197K190-T194 WeakPolarHBondContact O-CG2 3.19Å; K190-T194 PolarHBondContact O-N 3.4Å; K190-T194 PolarHBondContact O-OG1 3.12Å; M191-T194 WeakPolarHBondContact CA-OG1 3.48Å; M191-T194 PolarHBondContact O-OG1 3.2Å; T194-L196 PolarHBondContact O-N 3.02Å; T194-L196 VanDerWaalsContact O-N 3.14Å; T194-F197 PolarHBondContact O-N 3.32Å
195A58Low69.1Low78 Ų78118.9 Ų118.965%0.64566%0.656SS**THydrogen-bonded Turntrans-66-12.5176.600000114.4M191M191-A195 PolarHBondContact O-N 3.25Å
196L59.4Low67.2Low155 Ų155116.5 Ų116.581%0.81266%0.66SS**THydrogen-bonded Turntrans-91-9.9176.8-70.4175000114.1T194 K198T194-L196 PolarHBondContact O-N 3.02Å; T194-L196 VanDerWaalsContact O-N 3.14Å; L196-K198 PolarHBondContact O-N 3.24Å
197F58.8Low65.6Low175 Ų175120 Ų12077%0.76868%0.68SS**  trans-98.584.2167.5-70.7-81.2000108.2T194 P199T194-F197 PolarHBondContact O-N 3.32Å; F197-P199 WeakPolarHBondContact O-CD 3.2Å; F197-P199 VanDerWaalsContact O-N 3.11Å
198K57.8Low63.9Low192 Ų192128 Ų12884%0.83571%0.705SS**  trans-53.3115.8158.8-84.6-179.2175.2-179.10106.4L196 S200L196-K198 PolarHBondContact O-N 3.24Å; K198-S200 VanDerWaalsContact C-N 3.32Å; K198-S200 PolarHBondContact O-N 3.49Å
199P59.3Low62.8Low112 Ų112125 Ų12573%0.72771%0.707SS**  trans-63.3107.616127.7-29.5000105F197 V201F197-P199 WeakPolarHBondContact O-CD 3.2Å; F197-P199 VanDerWaalsContact O-N 3.11Å; P199-V201 PolarHBondContact O-N 3.18Å
200S60.9Low61.7Low112 Ų112125.5 Ų125.578%0.78372%0.716SS**  trans-6391.5163.5-172.90000105.5K198 P202K198-S200 VanDerWaalsContact C-N 3.32Å; K198-S200 PolarHBondContact O-N 3.49Å; S200-P202 WeakPolarHBondContact O-CD 3.3Å
201V65.5Low60.5Low113 Ų113124 Ų12469%0.68572%0.723SS**  trans-70.9114.9163.4-75.60000105.9P199 N203P199-V201 PolarHBondContact O-N 3.18Å; V201-N203 PolarHBondContact O-N 3.42Å
202P62.1Low59.4Low106 Ų106123.2 Ų123.269%0.68873%0.728SS**  trans-64.8122.6162.225.7-28.8000107S200 V204S200-P202 WeakPolarHBondContact O-CD 3.3Å; P202-V204 PolarHBondContact O-N 3.26Å
203N58Low58.2Low156 Ų156127.8 Ų127.883%0.83475%0.746SS**  trans-46.1108.8160.6-97.29.3000108.5V201V201-N203 PolarHBondContact O-N 3.42Å
204V56Low57.7Low122 Ų122132.8 Ų132.874%0.73976%0.762SS**  trans-108.184155.9-178.80000105.9P202 G206P202-V204 PolarHBondContact O-N 3.26Å; V204-G206 PolarHBondContact O-N 3.23Å
205L56.1Low57.5Low166 Ų166138.6 Ų138.687%0.86978%0.776SS**  trans-69.4114.9163.3177.865.5000107.3
206G51.6Low57.7Low59 Ų59143.3 Ų143.361%0.60878%0.782SS**  trans69.595.6152.800000117.1V204V204-G206 PolarHBondContact O-N 3.23Å
207T56.7Low57.8Low123 Ų123140.5 Ų140.576%0.75577%0.773SS**  trans-167107.613516.60000108.5
208F54Low57.2Low220 Ų220140 Ų14097%0.96577%0.773SS**  trans-91124.9152.9-69.7-81000106.8
209P63.9Low56.5Low103 Ų103139.2 Ų139.267%0.66977%0.773SS**  trans-123.4118.2142.930.4-19.6000110.3
210T60.5Low56.1Low130 Ų130140.7 Ų140.780%0.79877%0.769SS**  trans11.4122.2131.635.10000118
211S55.3Low55.4Low112 Ų112143.5 Ų143.578%0.78377%0.774SS**  trans12.1148.7147.7-49.30000120.2
212P53.6Low54.7Low124 Ų124143 Ų14381%0.80578%0.781SS**  -141.2154.491.723.1-2.3000115.3Q214P212-Q214 PolarHBondContact O-N 3.15Å
213L48.6Very low54Low173 Ų173141 Ų14191%0.90678%0.781SS**  trans-38.4125.9163.3-73.4176.4000112.4
214Q55Low53.9Low174 Ų174140.5 Ų140.581%0.81378%0.783SS**  trans-99.2108.4152.8-79.9-164.5-50.400108.7P212P212-Q214 PolarHBondContact O-N 3.15Å
215Y55.4Low54Low206 Ų206140.4 Ų140.481%0.80879%0.788SS**  trans-64.1116.8165.3-180-97000108.8
216F63.4Low53.9Low177 Ų177135.8 Ų135.878%0.77678%0.78SS**  trans-112.9130.9164.5-100-86.5000107.8
217P61.2Low54.1Low96 Ų96140.7 Ų140.762%0.62379%0.791SS**  trans-75.4151.2-178.36.86.3000112.6
218E45.6Very low54.3Low165 Ų165142.7 Ų142.777%0.77180%0.796SS**  trans-45.7143.9168.8-73.5178.892.900113.1
219E42.8Very low54.9Low175 Ų175140.5 Ų140.582%0.81879%0.787SS**  -162.5128.4119.1-87.7-99.5145.900108.7
220H51.1Low55.3Low143 Ų143141.3 Ų141.366%0.66279%0.792SS**  trans-31.5133.2176.9-52.7-91.7000116
221I47.9Very low55.6Low170 Ų170143 Ų14387%0.87279%0.791SS**  -159.7127.2113.7-55.4-157.6000108.3
222A50.7Low56.4Low102 Ų102142.5 Ų142.584%0.84379%0.785SS**  trans-68154.9-178.200000114.2
223G46.8Very low57.5Low66 Ų66143.3 Ų143.368%0.6879%0.787SS**  trans136.877.4151.200000117.1
224T55.3Low58.6Low144 Ų144143.6 Ų143.688%0.88378%0.781SS**  trans10114.7139.2-480000117.4
225S57.8Low59.5Low120 Ų120140.1 Ų140.184%0.83977%0.774SS**  trans-137.394.8160.8-72.90000109.8
226G54.5Low60.4Low69 Ų69139.3 Ų139.371%0.71178%0.778SS**  trans-75.413516600000110.2L228G226-L228 PolarHBondContact O-N 3.19Å
227I56.3Low60.8Low162 Ų162138.7 Ų138.783%0.83178%0.776SS**  trans-64.3100.9173.8-58.4-78.6000108.3
228L61.5Low61.4Low165 Ų165139.8 Ų139.886%0.86478%0.784SS**  trans-95.5114.2173.6-169.372.6000109G226G226-L228 PolarHBondContact O-N 3.19Å
229F65.8Low62.7Low175 Ų175138.7 Ų138.777%0.76878%0.782SS**PPolyproline II helixtrans-64.9139.2170.2-97.9-97.3000110.6Q231F229-Q231 PolarHBondContact O-N 3.27Å
230P72.9Confident64Low119 Ų119141.1 Ų141.177%0.77378%0.784SS**PPolyproline II helixtrans-72.7122.5178.129.2-31.7000110.3
231Q66.1Low64.9Low167 Ų167142.3 Ų142.378%0.7879%0.789SS**PPolyproline II helixtrans-78.7139.8169.3-71.3-7936.800110.3F229 V233F229-Q231 PolarHBondContact O-N 3.27Å; Q231-V233 PolarHBondContact O-N 3.34Å
232P72.3Confident65.8Low101 Ų101148 Ų14866%0.65680%0.802SS**PPolyproline II helixtrans-73.2123.2175.328.5-31.4000111
233V76.3Confident66.6Low140 Ų140150.4 Ų150.485%0.84880%0.8SS**PPolyproline II helixtrans-86.5116.3173.2-175.80000108.7Q231Q231-V233 PolarHBondContact O-N 3.34Å
234F71.5Confident67.6Low179 Ų179154.8 Ų154.879%0.78581%0.806SS**PPolyproline II helixtrans-84.5136.1169.1-86.3-85.8000110.2Q236F234-Q236 PolarHBondContact O-N 2.7Å
235P74.7Confident68.3Low101 Ų101155.4 Ų155.466%0.65680%0.802SS**PPolyproline II helixtrans-67.8124172.7-10.824.9000110.1
236Q73.1Confident68.9Low190 Ų190157.5 Ų157.589%0.88880%0.799SS**PPolyproline II helixtrans-86.1124164.3-68.8-154.63.300109.4F234F234-Q236 PolarHBondContact O-N 2.7Å
237H72.3Confident69.8Low163 Ų163163 Ų16376%0.75581%0.805SS**PPolyproline II helixtrans-80.5135.5170.2-49.3-70.2000109I239H237-I239 PolarHBondContact O-N 3.19Å
238P75.3Confident70.7Confident120 Ų120163.1 Ų163.178%0.77980%0.803SS**PPolyproline II helixtrans-67.8126.8174.925.5-30.6000110.3R240P238-R240 PolarHBondContact O-N 3.39Å
239I71.2Confident71.3Confident142 Ų142162.9 Ų162.973%0.72880%0.799SS**  trans-68.6111.2167.1-60.6-179.2000106.9H237 H241H237-I239 PolarHBondContact O-N 3.19Å; I239-H241 PolarHBondContact O-N 3.21Å
240R70.5Confident71.8Confident226 Ų226162 Ų16285%0.85380%0.801SS**  trans-79.9111.3163.8-81.7-147.7169.8-155.9-1.2108.5P238P238-R240 PolarHBondContact O-N 3.39Å
241H71.2Confident71.7Confident167 Ų167165.6 Ų165.677%0.77380%0.804SS**  trans-80.9120.2155.7-74.9-84000108I239I239-H241 PolarHBondContact O-N 3.21Å
242Y65.8Low72.2Confident291 Ų291165.5 Ų165.5100%1.14181%0.806SS**  trans-148.60152.4-107.9-80.7000107.3

Retrieved 242 of 242 residues in 114.7 ms (Link to these results)