A0A077ZEK0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZEK0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 376 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
1M37Very low39Very low218 Ų218128.6 Ų128.6100%1.07471%0.712SS**  0115.20-63.2-55.6164.700106.5V3M1-V3 HydrophobicContact SD-CG2 3.92Å
2P41.4Very low39.4Very low135 Ų135124.9 Ų124.988%0.87770%0.695SS**  -122.1-17763.239.4-31.6000116
3V32.6Very low39.4Very low120 Ų120128.3 Ų128.373%0.72769%0.691SS**  trans-148143-164.9173.70000105.4M1M1-V3 HydrophobicContact SD-CG2 3.92Å
4S35.9Very low39.8Very low88 Ų88126.6 Ų126.662%0.61568%0.68SS**  cis-155.8170.214.142.10000111.9
5N32.6Very low40.2Very low130 Ų130123.2 Ų123.270%0.69567%0.665SS**  trans63.7100.1145.8-69.6-32.3000119
6D42.1Very low40.2Very low147 Ų147122.6 Ų122.679%0.78666%0.657SS**  trans-120.378.6148.2-131.2-16.2000110.4T8D6-T8 HydrophobicContact CB-CG2 4.35Å; D6-T8 PolarHBondContact O-N 3.46Å; D6-T8 WeakPolarHBondContact OD1-CG2 3.24Å
7K36.4Very low40.4Very low187 Ų187121.4 Ų121.481%0.81365%0.649SS**  trans-76.962.3170.4-79.8-176.7175.1176.10109.8N9K7-N9 PolarHBondContact O-N 3.15Å
8T48.2Very low40.9Very low77 Ų77118.1 Ų118.147%0.47264%0.637SS.*  trans-68.1115.1177.858.80000110.3D6D6-T8 HydrophobicContact CB-CG2 4.35Å; D6-T8 PolarHBondContact O-N 3.46Å; D6-T8 WeakPolarHBondContact OD1-CG2 3.24Å
9N41.4Very low41.3Very low111 Ų111121.6 Ų121.659%0.59464%0.64SS**  trans-53.1120.3-177.7-84.2-65.9000112.4K7 N11 V12K7-N9 PolarHBondContact O-N 3.15Å; N9-N11 PolarHBondContact O-N 3.31Å; N9-N11 VanDerWaalsContact O-N 3.11Å; N9-V12 HydrophobicContact CB-CG2 4.2Å; N9-V12 PolarHBondContact O-N 2.89Å; N9-V12 VanDerWaalsContact O-N 3.08Å
10P42.9Very low41.4Very low89 Ų89123.4 Ų123.458%0.57864%0.643SS**Hα-helixtrans-60.8-26178.323.8-33.3000112.5V12 R13 I14P10-V12 PolarHBondContact O-N 2.89Å; P10-R13 PolarHBondContact O-N 3.03Å; P10-I14 WeakPolarHBondContact O-CG1 3.45Å; P10-I14 PolarHBondContact O-N 3.05Å
11N38.8Very low41.4Very low113 Ų113124.8 Ų124.860%0.60464%0.641SS**Hα-helixtrans-58.1-24.5175.2-75.7-32.7000114.6N9 V15N9-N11 PolarHBondContact O-N 3.31Å; N9-N11 VanDerWaalsContact O-N 3.11Å; N11-V15 WeakPolarHBondContact O-CG2 3.48Å; N11-V15 PolarHBondContact O-N 2.87Å
12V43.3Very low41.7Very low84 Ų84117.3 Ų117.351%0.50961%0.61SS.*Hα-helixtrans-73.4-49.2177.9-176.80000110.4N9 P10 I14 V15 E16N9-V12 HydrophobicContact CB-CG2 4.2Å; N9-V12 PolarHBondContact O-N 2.89Å; N9-V12 VanDerWaalsContact O-N 3.08Å; P10-V12 PolarHBondContact O-N 2.89Å; V12-I14 VanDerWaalsContact C-N 3.33Å; V12-I14 PolarHBondContact O-N 3.42Å; V12-V15 PolarHBondContact O-N 3.27Å; V12-E16 PolarHBondContact O-N 3Å
13R39.5Very low42.1Very low169 Ų169114.1 Ų114.164%0.63859%0.591SS**Hα-helixtrans-63.2-38-179.8-62.9-173.4-176.3-173.92.6112.2P10 V15 E16 I17P10-R13 PolarHBondContact O-N 3.03Å; R13-V15 VanDerWaalsContact C-N 3.34Å; R13-V15 PolarHBondContact O-N 2.94Å; R13-E16 PolarHBondContact O-N 3.46Å; R13-I17 WeakPolarHBondContact O-CG1 3.45Å; R13-I17 PolarHBondContact O-N 3.14Å; R13-I17 VanDerWaalsContact O-N 3.11Å
14I44.9Very low42.4Very low104 Ų104114 Ų11453%0.53359%0.585SS.*Hα-helixtrans-66.2-35177.9-63.2165.8000111.7P10 V12 S18P10-I14 WeakPolarHBondContact O-CG1 3.45Å; P10-I14 PolarHBondContact O-N 3.05Å; V12-I14 VanDerWaalsContact C-N 3.33Å; V12-I14 PolarHBondContact O-N 3.42Å; I14-S18 WeakPolarHBondContact O-CB 3.4Å; I14-S18 PolarHBondContact O-N 3.32Å; I14-S18 PolarHBondContact O-OG 3.09Å
15V45.9Very low42.8Very low76 Ų76115.7 Ų115.746%0.46159%0.587SS.*Hα-helixtrans-72.9-28.3176.7169.40000112.5N11 V12 R13 S18 R19N11-V15 WeakPolarHBondContact O-CG2 3.48Å; N11-V15 PolarHBondContact O-N 2.87Å; V12-V15 PolarHBondContact O-N 3.27Å; R13-V15 VanDerWaalsContact C-N 3.34Å; R13-V15 PolarHBondContact O-N 2.94Å; V15-S18 WeakPolarHBondContact CA-OG 3.27Å; V15-S18 PolarHBondContact O-OG 3.05Å; V15-R19 WeakPolarHBondContact O-CG 3.46Å
16E41Very low43.4Very low114 Ų114117.6 Ų117.653%0.53359%0.592SS.*Hα-helixtrans-77.1-45.9176.7-70.3178.6158.400111.7V12 R13 S18 R19 F20V12-E16 PolarHBondContact O-N 3Å; R13-E16 PolarHBondContact O-N 3.46Å; E16-S18 VanDerWaalsContact C-N 3.35Å; E16-S18 PolarHBondContact O-N 2.97Å; E16-R19 WeakPolarHBondContact O-CB 3.45Å; E16-R19 PolarHBondContact O-N 3.42Å; E16-F20 WeakPolarHBondContact O-CD2 3.35Å
17I43.7Very low43.5Very low101 Ų101120.7 Ų120.752%0.51859%0.592SS.*Hα-helixtrans-59.8-45.2177.5-64.2165.5000110.8R13 R19 F20 Y21R13-I17 WeakPolarHBondContact O-CG1 3.45Å; R13-I17 PolarHBondContact O-N 3.14Å; R13-I17 VanDerWaalsContact O-N 3.11Å; I17-R19 PolarHBondContact O-N 3.34Å; I17-F20 PolarHBondContact O-N 2.88Å; I17-Y21 HydrophobicContact CG2-CD2 3.78Å; I17-Y21 HydrophobicContact CG2-CE2 3.72Å; I17-Y21 WeakPolarHBondContact O-CD2 3.47Å; I17-Y21 PolarHBondContact O-N 3.04Å
18S48.7Very low43.7Very low63 Ų63116.3 Ų116.344%0.44159%0.585SS.*Hα-helixtrans-64.3-21.6179.851.50000114.6I14 V15 E16 S22I14-S18 WeakPolarHBondContact O-CB 3.4Å; I14-S18 PolarHBondContact O-N 3.32Å; I14-S18 PolarHBondContact O-OG 3.09Å; V15-S18 WeakPolarHBondContact CA-OG 3.27Å; V15-S18 PolarHBondContact O-OG 3.05Å; E16-S18 VanDerWaalsContact C-N 3.35Å; E16-S18 PolarHBondContact O-N 2.97Å; S18-S22 PolarHBondContact O-N 2.99Å; S18-S22 PolarHBondContact O-OG 3.03Å
19R48.3Very low43.3Very low184 Ų184116.1 Ų116.169%0.69460%0.599SS**Hα-helixtrans-73.6-28.5172.2-76.8174.5172.9-163.9-0.5113.5V15 E16 I17 S22V15-R19 WeakPolarHBondContact O-CG 3.46Å; E16-R19 WeakPolarHBondContact O-CB 3.45Å; E16-R19 PolarHBondContact O-N 3.42Å; I17-R19 PolarHBondContact O-N 3.34Å; R19-S22 PolarHBondContact O-OG 3.24Å
20F43Very low43.2Very low157 Ų157119.1 Ų119.169%0.68961%0.609SS**Hα-helixtrans-76.8-48.4175.3-77.9-82.3000111.3E16 I17 S22 S23E16-F20 WeakPolarHBondContact O-CD2 3.35Å; I17-F20 PolarHBondContact O-N 2.88Å; F20-S22 PolarHBondContact O-N 3.41Å; F20-S23 PolarHBondContact O-N 2.9Å; F20-S23 PolarHBondContact O-OG 3.41Å
21Y41.3Very low42.8Very low153 Ų153121.4 Ų121.460%0.662%0.621SS**Hα-helixtrans-64.2-35.7-176.8-81.3-84.9000114.4I17 S23 L24 L25I17-Y21 HydrophobicContact CG2-CD2 3.78Å; I17-Y21 HydrophobicContact CG2-CE2 3.72Å; I17-Y21 WeakPolarHBondContact O-CD2 3.47Å; I17-Y21 PolarHBondContact O-N 3.04Å; Y21-S23 VanDerWaalsContact C-N 3.26Å; Y21-S23 PolarHBondContact O-N 3.37Å; Y21-L24 PolarHBondContact O-N 3.43Å; Y21-L24 VanDerWaalsContact O-N 3.11Å; Y21-L25 PolarHBondContact O-N 2.9Å
22S44.5Very low42.5Very low61 Ų61121.1 Ų121.143%0.42764%0.635SS.*Hα-helixtrans-62.5-31.5178.539.90000113.2S18 R19 F20 L24 E26S18-S22 PolarHBondContact O-N 2.99Å; S18-S22 PolarHBondContact O-OG 3.03Å; R19-S22 PolarHBondContact O-OG 3.24Å; F20-S22 PolarHBondContact O-N 3.41Å; S22-L24 VanDerWaalsContact C-N 3.3Å; S22-L24 PolarHBondContact O-N 3.19Å; S22-E26 PolarHBondContact O-N 3.48Å
23S48.5Very low42.1Very low69 Ų69123.2 Ų123.248%0.48365%0.654SS.*Hα-helixtrans-75.7-14.5176.574.10000114.9F20 Y21F20-S23 PolarHBondContact O-N 2.9Å; F20-S23 PolarHBondContact O-OG 3.41Å; Y21-S23 VanDerWaalsContact C-N 3.26Å; Y21-S23 PolarHBondContact O-N 3.37Å
24L40.4Very low41.9Very low116 Ų116118.6 Ų118.661%0.60766%0.658SS**Hα-helixtrans-93.8-43.4175.3-78.6157.1000111.2Y21 S22 E26 R27Y21-L24 PolarHBondContact O-N 3.43Å; Y21-L24 VanDerWaalsContact O-N 3.11Å; S22-L24 VanDerWaalsContact C-N 3.3Å; S22-L24 PolarHBondContact O-N 3.19Å; L24-E26 VanDerWaalsContact C-N 3.35Å; L24-E26 PolarHBondContact O-N 2.82Å; L24-R27 PolarHBondContact O-N 2.9Å; L24-R27 VanDerWaalsContact O-N 3.16Å
25L42.6Very low41.4Very low125 Ų125121.4 Ų121.465%0.65467%0.674SS**Hα-helixtrans-64-33.5-179.7-115.273.5000113.8Y21 R27 S28Y21-L25 PolarHBondContact O-N 2.9Å; L25-R27 PolarHBondContact O-N 3.21Å; L25-S28 PolarHBondContact O-OG 3.47Å
26E46.6Very low40.9Very low169 Ų169127 Ų12779%0.7970%0.696SS**THydrogen-bonded Turntrans-72.9-4.6177.9-70.9-172164.300113.6S22 L24S22-E26 PolarHBondContact O-N 3.48Å; L24-E26 VanDerWaalsContact C-N 3.35Å; L24-E26 PolarHBondContact O-N 2.82Å
27R44.3Very low40.9Very low213 Ų213126.9 Ų126.980%0.80471%0.707SS**THydrogen-bonded Turntrans-107.7-11.8-178.7-58.1-17785.2149.74.6114.5L24 L25L24-R27 PolarHBondContact O-N 2.9Å; L24-R27 VanDerWaalsContact O-N 3.16Å; L25-R27 PolarHBondContact O-N 3.21Å
28S40Very low40.6Very low94 Ų94131 Ų13166%0.65772%0.724SS**SBendtrans-95-6.6-17957.70000114.4L25L25-S28 PolarHBondContact O-OG 3.47Å
29G38.9Very low39.8Very low74 Ų74134.1 Ų134.176%0.76375%0.746SS**SBendtrans-97.224.3-174.800000116
30Q40.1Very low39.1Very low174 Ų174131 Ų13181%0.81375%0.752SS**SBendtrans-140.325.4-164.5-139.2168.736.900116.9
31T33.9Very low38.6Very low136 Ų136128.8 Ų128.883%0.83476%0.757SS**  trans-152102.2169.548.70000111.5
32A34Very low38.3Very low107 Ų107126.4 Ų126.488%0.88476%0.762SS**  trans173.782.4154.900000110.9
33S33.9Very low37.9Very low129 Ų129135.1 Ų135.190%0.90279%0.786SS**  trans-156.7102.6162.163.70000109
34G34.7Very low37.2Very low71 Ų71139 Ų13973%0.73280%0.801SS**SBendtrans165.9114.8-178.200000109.1
35D35.6Very low37.3Very low164 Ų164141.7 Ų141.788%0.87782%0.815SS**  trans-60.6139.1-172.6-64.3-70.1000113.5
36E35.9Very low36.7Very low194 Ų194144.5 Ų144.591%0.90783%0.825SS**  trans-104.1110.5161.5-65.3-158.6157.500109.7
37S39.8Very low36.3Very low111 Ų111141.9 Ų141.978%0.77683%0.825SS**  trans-106.898.3170.232.70000110.6
38Q37.6Very low35.6Very low186 Ų186139.9 Ų139.987%0.86983%0.831SS**  trans26115.7146.5-60.4-179.2-21.700118.4
39S32Very low35.4Very low130 Ų130141.4 Ų141.491%0.90984%0.836SS**  -178.4152106.139.80000111.9
40S33.4Very low35Very low117 Ų117143.4 Ų143.482%0.81884%0.837SS**  trans-99150.2-173.545.80000112.6
41S33.5Very low34.5Very low112 Ų112139.5 Ų139.578%0.78383%0.829SS**  trans-165.9136.5130.946.20000113.3
42S33.9Very low34.9Very low103 Ų103138 Ų13872%0.7282%0.819SS**  trans7.6129.715546.30000121.1
43R36.1Very low35.1Very low244 Ų244136.2 Ų136.292%0.92180%0.801SS**  -162.9132.7105.7-105.5167.6-172.7179.92.7112.5
44D34.2Very low35.3Very low149 Ų149138 Ų13880%0.79780%0.795SS**  trans-68.2147.4173-48.9-79.3000111.7
45L41.5Very low35.4Very low174 Ų174142 Ų14291%0.91180%0.796SS**  trans-164.9119.9143-109.5160.3000109.8
46E31.3Very low35.7Very low183 Ų183140.8 Ų140.886%0.85579%0.789SS**  trans-69.3134.4-177.8-58.7160.8119.400111.4
47S38.5Very low35.8Very low114 Ų114137.9 Ų137.980%0.79778%0.779SS**  trans-173.2131141.633.30000113V49S47-V49 PolarHBondContact O-N 3.26Å
48N29.2Very low35.6Very low171 Ų171136.7 Ų136.791%0.91477%0.771SS**  trans-33.5109.3175.3-70.8-35.4000116.1
49V35.8Very low35.9Very low127 Ų127138.5 Ų138.577%0.7777%0.771SS**  trans-134.1131150.4-176.70000108.6S47 S51S47-V49 PolarHBondContact O-N 3.26Å; V49-S51 PolarHBondContact O-N 3.26Å
50C31Very low36.6Very low116 Ų116142.4 Ų142.478%0.78477%0.765SS**  trans-51.9102-177.3-168.30000112.6T52C50-T52 PolarHBondContact O-N 2.94Å
51S29.3Very low36.8Very low92 Ų92142.2 Ų142.264%0.64376%0.761SS**  trans-70.888.4-177-69.30000112.9V49 S53V49-S51 PolarHBondContact O-N 3.26Å; S51-S53 PolarHBondContact O-N 3.01Å
52T40.9Very low36.8Very low103 Ų103147 Ų14763%0.63277%0.768SS**THydrogen-bonded Turntrans-75.914.4165.655.20000113.1C50C50-T52 PolarHBondContact O-N 2.94Å
53S39.5Very low37.1Very low71 Ų71148.7 Ų148.750%0.49777%0.769SS.*THydrogen-bonded Turntrans-78.1-22.6-176.749.90000114.4S51S51-S53 PolarHBondContact O-N 3.01Å
54E37.7Very low37.3Very low166 Ų166143.3 Ų143.378%0.77676%0.763SS**G310 helixtrans-79.4-32.7-178.7-65.8-175.1156.800112.8L56E54-L56 PolarHBondContact O-N 3.48Å
55M37.8Very low37.5Very low156 Ų156140.1 Ų140.177%0.76876%0.758SS**G310 helixtrans-70.7-8.5179.4-70.5-175.371.200114.6
56L41.7Very low37.5Very low138 Ų138140.7 Ų140.772%0.72376%0.755SS**G310 helixtrans-99.1-1.7-175.1-67.2175.5000114.2E54E54-L56 PolarHBondContact O-N 3.48Å
57N36.4Very low38.1Very low132 Ų132139.2 Ų139.271%0.70675%0.748SS**SBendtrans-93.1-6.4178.7-72.9-28.9000114.5W59N57-W59 VanDerWaalsContact C-N 3.32Å; N57-W59 PolarHBondContact O-N 3.45Å
58S37.5Very low38.2Very low87 Ų87137.6 Ų137.661%0.60875%0.749SS**SBendtrans-82.94.3-174.359.20000115.8
59W42.7Very low39Very low224 Ų224135.6 Ų135.685%0.84874%0.738SS**  trans-122.548.9-175-65.587.6000113.2N57N57-W59 VanDerWaalsContact C-N 3.32Å; N57-W59 PolarHBondContact O-N 3.45Å
60R45.8Very low39.2Very low212 Ų212138.3 Ų138.380%0.875%0.749SS**  trans-78.7126.3162.5-72.7-164.6-179.9-139.73.3110F62R60-F62 PolarHBondContact O-N 3.31Å
61P38.1Very low39.9Very low112 Ų112136.4 Ų136.473%0.72774%0.742SS**  trans-77110.9174.3-4.521.2000110.4D63P61-D63 PolarHBondContact O-N 3.42Å; P61-D63 VanDerWaalsContact O-N 3.11Å
62F34.7Very low40.1Very low214 Ų214137.8 Ų137.894%0.93975%0.751SS**SBendtrans43.549.5158.6-68.8-82.5000117.7R60R60-F62 PolarHBondContact O-N 3.31Å
63D38.9Very low40.2Very low138 Ų138138.3 Ų138.374%0.73876%0.759SS**  trans-103.4123154.3-79.9-40.6000108.5P61P61-D63 PolarHBondContact O-N 3.42Å; P61-D63 VanDerWaalsContact O-N 3.11Å
64V41.8Very low40Very low131 Ų131141.9 Ų141.979%0.79478%0.778SS**  trans-13.1117.2179.6-177.30000115.4H66V64-H66 PolarHBondContact O-N 3.08Å
65A36.7Very low40.5Very low82 Ų82138.8 Ų138.868%0.67878%0.775SS**  trans-63.3102.3167.700000110.2E67A65-E67 PolarHBondContact O-N 2.69Å
66H42.3Very low40.8Very low186 Ų186137.3 Ų137.386%0.86177%0.77SS**  trans-8180.8152.6-105.6-58.2000107.3V64 G68V64-H66 PolarHBondContact O-N 3.08Å; H66-G68 PolarHBondContact O-N 2.93Å
67E44.6Very low41.3Very low152 Ų152138 Ų13871%0.7177%0.774SS**  trans-65.6128160.2-79.4178.7142.200108A65 D69A65-E67 PolarHBondContact O-N 2.69Å; E67-D69 VanDerWaalsContact C-N 3.29Å; E67-D69 PolarHBondContact O-N 2.99Å; E67-D69 VanDerWaalsContact O-N 3.14Å
68G39.2Very low42.3Very low79 Ų79135.6 Ų135.681%0.81477%0.767SS**  trans-79.383.5167.700000108.8H66H66-G68 PolarHBondContact O-N 2.93Å
69D45.9Very low43Very low129 Ų129135.4 Ų135.469%0.6976%0.762SS**  trans-100.2103.2168.6-91.1-14.5000109.7E67 A71E67-D69 VanDerWaalsContact C-N 3.29Å; E67-D69 PolarHBondContact O-N 2.99Å; E67-D69 VanDerWaalsContact O-N 3.14Å; D69-A71 HydrophobicContact CB-CB 4.47Å; D69-A71 PolarHBondContact O-N 2.8Å
70D41.5Very low43.5Very low184 Ų184129.9 Ų129.998%0.98475%0.748SS**  trans-68.374.9161.8-78.7-49000109.5
71A44.7Very low44.1Very low77 Ų77127.1 Ų127.164%0.63674%0.742SS**  trans-131.594.1178.300000111.2D69 S73D69-A71 HydrophobicContact CB-CB 4.47Å; D69-A71 PolarHBondContact O-N 2.8Å; A71-S73 PolarHBondContact O-N 3.31Å
72S34.4Very low45Very low121 Ų121127.2 Ų127.285%0.84674%0.737SS**  trans-65.4103.5172.658.60000111.1
73S42.8Very low46.3Very low113 Ų113124.2 Ų124.279%0.7972%0.723SS**  trans-153.9122.7161.7-83.70000112.9A71A71-S73 PolarHBondContact O-N 3.31Å
74T35.9Very low47.8Very low146 Ų146120.5 Ų120.590%0.89671%0.708SS**  trans-87.6112.7177.349.90000110.8
75S47.2Very low49.1Very low102 Ų102118.4 Ų118.471%0.71369%0.692SS**  trans-161.2124.3163.355.90000114.7
76D45.2Very low50.9Low124 Ų124121.2 Ų121.266%0.66369%0.691SS**  trans63.389.7143.8-56.3-14000121.4S78D76-S78 PolarHBondContact O-N 2.95Å
77L51.4Low52.4Low153 Ų153115.1 Ų115.180%0.80167%0.673SS**THydrogen-bonded Turntrans-61.21.6171.2-77.4152.3000116.5I80L77-I80 HydrophobicContact CD2-CD1 4.39Å
78S58Low53.6Low81 Ų81115.9 Ų115.957%0.56667%0.669SS**THydrogen-bonded Turntrans-81.8-40.7-174.654.60000113.4D76 I80D76-S78 PolarHBondContact O-N 2.95Å; S78-I80 VanDerWaalsContact C-N 3.26Å; S78-I80 PolarHBondContact O-N 3.34Å
79T51.8Low55.3Low84 Ų84117.9 Ų117.952%0.51566%0.66SS.*Hα-helixtrans-74.4-10.6-173.855.70000114.8
80I52.5Low56.9Low108 Ų108119.2 Ų119.255%0.55466%0.66SS**Hα-helixtrans-73.6-28.8-178.8-59.6174.4000111.3L77 S78L77-I80 HydrophobicContact CD2-CD1 4.39Å; S78-I80 VanDerWaalsContact C-N 3.26Å; S78-I80 PolarHBondContact O-N 3.34Å
81K58Low58.3Low154 Ų154113.4 Ų113.467%0.6764%0.637SS**Hα-helixtrans-72.2-43.4-175.8-71.5-176.9178.4176.40113S84 L85K81-S84 WeakPolarHBondContact O-CB 3.5Å; K81-S84 PolarHBondContact O-N 2.66Å; K81-S84 VanDerWaalsContact O-N 3.14Å; K81-S84 PolarHBondContact O-OG 3.43Å; K81-L85 PolarHBondContact O-N 3.47Å
82D57.7Low59.4Low114 Ų114112.9 Ų112.961%0.6163%0.629SS**Hα-helixtrans-69.2-40.4-175.8-63.5-27.1000112.1S84 L85 E86D82-S84 PolarHBondContact O-N 3.33Å; D82-L85 PolarHBondContact O-N 2.94Å; D82-E86 PolarHBondContact O-N 3.13Å
83K62.6Low61.5Low150 Ų150109.9 Ų109.965%0.65261%0.608SS**Hα-helixtrans-56.3-33.5171.8-67.1179.4179.7177.50112.2A87K83-A87 WeakPolarHBondContact O-CB 3.35Å; K83-A87 PolarHBondContact O-N 3.21Å; K83-A87 VanDerWaalsContact O-N 3.14Å
84S70Confident63.2Low60 Ų60107 Ų10742%0.4259%0.591SS.*Hα-helixtrans-72.4-32.317686.30000113.5K81 D82 R88K81-S84 WeakPolarHBondContact O-CB 3.5Å; K81-S84 PolarHBondContact O-N 2.66Å; K81-S84 VanDerWaalsContact O-N 3.14Å; K81-S84 PolarHBondContact O-OG 3.43Å; D82-S84 PolarHBondContact O-N 3.33Å; S84-R88 WeakPolarHBondContact O-CB 3.36Å; S84-R88 VanDerWaalsContact O-CG 3.25Å; S84-R88 WeakPolarHBondContact O-CG 3.45Å; S84-R88 PolarHBondContact O-N 3.3Å; S84-R88 VanDerWaalsContact O-N 3.13Å
85L67.8Low65.4Low87 Ų87109.2 Ų109.246%0.45558%0.583SS.*Hα-helixtrans-74.2-44.4177.1-78.4171.4000111.3K81 D82 A87 R88 I89K81-L85 PolarHBondContact O-N 3.47Å; D82-L85 PolarHBondContact O-N 2.94Å; L85-A87 VanDerWaalsContact C-N 3.34Å; L85-A87 PolarHBondContact O-N 2.95Å; L85-R88 PolarHBondContact O-N 3.08Å; L85-R88 VanDerWaalsContact O-N 3.14Å; L85-I89 WeakPolarHBondContact O-CG1 3.32Å; L85-I89 PolarHBondContact O-N 3.23Å
86E75.4Confident67.2Low142 Ų142110.6 Ų110.666%0.66458%0.578SS**Hα-helixtrans-61.1-42.9175.8-168.6179.1-178.500111.4D82 R88 I89 K90D82-E86 PolarHBondContact O-N 3.13Å; E86-R88 VanDerWaalsContact C-N 3.33Å; E86-R88 PolarHBondContact O-N 3.07Å; E86-I89 PolarHBondContact O-N 2.97Å; E86-K90 WeakPolarHBondContact O-CB 3.18Å; E86-K90 PolarHBondContact O-N 3.18Å
87A73.6Confident69Low58 Ų58108.9 Ų108.948%0.47957%0.569SS.*Hα-helixtrans-59.5-40.5173.300000112.6K83 L85 A91K83-A87 WeakPolarHBondContact O-CB 3.35Å; K83-A87 PolarHBondContact O-N 3.21Å; K83-A87 VanDerWaalsContact O-N 3.14Å; L85-A87 VanDerWaalsContact C-N 3.34Å; L85-A87 PolarHBondContact O-N 2.95Å; A87-A91 VanDerWaalsContact O-CB 3.29Å; A87-A91 WeakPolarHBondContact O-CB 3.47Å; A87-A91 PolarHBondContact O-N 3.46Å
88R70.2Confident70.6Confident167 Ų167108.5 Ų108.563%0.6356%0.558SS**Hα-helixtrans-68.8-38.8176.2-76.2173.163.8-166.3-2113.1S84 L85 E86 S92S84-R88 WeakPolarHBondContact O-CB 3.36Å; S84-R88 VanDerWaalsContact O-CG 3.25Å; S84-R88 WeakPolarHBondContact O-CG 3.45Å; S84-R88 PolarHBondContact O-N 3.3Å; S84-R88 VanDerWaalsContact O-N 3.13Å; L85-R88 PolarHBondContact O-N 3.08Å; L85-R88 VanDerWaalsContact O-N 3.14Å; E86-R88 VanDerWaalsContact C-N 3.33Å; E86-R88 PolarHBondContact O-N 3.07Å; R88-S92 WeakPolarHBondContact O-CB 3.31Å; R88-S92 PolarHBondContact O-N 3.18Å; R88-S92 PolarHBondContact O-OG 3.11Å
89I74Confident72Confident121 Ų121108.4 Ų108.462%0.62155%0.548SS*.Hα-helixtrans-64.1-47.3174.2-67.6165.1000109.8L85 E86 A91 S92 S93L85-I89 WeakPolarHBondContact O-CG1 3.32Å; L85-I89 PolarHBondContact O-N 3.23Å; E86-I89 PolarHBondContact O-N 2.97Å; I89-A91 PolarHBondContact O-N 3.11Å; I89-S92 WeakPolarHBondContact O-CB 3.38Å; I89-S92 PolarHBondContact O-N 2.97Å; I89-S93 PolarHBondContact O-N 3.17Å
90K79.6Confident73.9Confident158 Ų158109.8 Ų109.869%0.68755%0.549SS*.Hα-helixtrans-61.9-40.2177.1-167.8172.7-175.5174.40112.8E86 S92 A94E86-K90 WeakPolarHBondContact O-CB 3.18Å; E86-K90 PolarHBondContact O-N 3.18Å; K90-S92 VanDerWaalsContact C-N 3.29Å; K90-S92 PolarHBondContact O-N 3.23Å; K90-A94 WeakPolarHBondContact O-CB 3.45Å; K90-A94 PolarHBondContact O-N 3.3Å
91A70.9Confident75.7Confident62 Ų62109.1 Ų109.151%0.51255%0.546SS..Hα-helixtrans-65.9-30.9173.300000113A87 I89 R95A87-A91 VanDerWaalsContact O-CB 3.29Å; A87-A91 WeakPolarHBondContact O-CB 3.47Å; A87-A91 PolarHBondContact O-N 3.46Å; I89-A91 PolarHBondContact O-N 3.11Å; A91-R95 PolarHBondContact O-N 2.98Å
92S68.8Low77.3Confident66 Ų66105 Ų10546%0.46253%0.528SS..Hα-helixtrans-75.2-44.8177.5-55.50000111.1R88 I89 K90 R95 E96R88-S92 WeakPolarHBondContact O-CB 3.31Å; R88-S92 PolarHBondContact O-N 3.18Å; R88-S92 PolarHBondContact O-OG 3.11Å; I89-S92 WeakPolarHBondContact O-CB 3.38Å; I89-S92 PolarHBondContact O-N 2.97Å; K90-S92 VanDerWaalsContact C-N 3.29Å; K90-S92 PolarHBondContact O-N 3.23Å; S92-R95 WeakPolarHBondContact O-CB 3.36Å; S92-R95 PolarHBondContact O-N 3.14Å; S92-R95 VanDerWaalsContact O-N 3.15Å; S92-E96 PolarHBondContact O-N 3.46Å; S92-E96 VanDerWaalsContact O-N 3.08Å
93S78.3Confident78.8Confident57 Ų57104.6 Ų104.640%0.39953%0.525SS..Hα-helixtrans-57.9-47170.9163.20000112I89 R95 E96 D97I89-S93 PolarHBondContact O-N 3.17Å; S93-R95 PolarHBondContact O-N 3.2Å; S93-E96 WeakPolarHBondContact O-CB 3.47Å; S93-E96 PolarHBondContact O-N 3.4Å; S93-D97 PolarHBondContact O-N 3.35Å
94A79.2Confident80.3Confident54 Ų54102.1 Ų102.145%0.44652%0.519SS..Hα-helixtrans-61.1-29.1176.800000113.3K90 Y98K90-A94 WeakPolarHBondContact O-CB 3.45Å; K90-A94 PolarHBondContact O-N 3.3Å; A94-Y98 WeakPolarHBondContact O-CB 3.38Å; A94-Y98 PolarHBondContact O-N 2.67Å; A94-Y98 VanDerWaalsContact O-N 3.07Å
95R81.5Confident81.3Confident192 Ų192103 Ų10373%0.72552%0.518SS*.Hα-helixtrans-73.6-36.8174.5-174.8180-179.91770.7112.2A91 S92 S93 E99A91-R95 PolarHBondContact O-N 2.98Å; S92-R95 WeakPolarHBondContact O-CB 3.36Å; S92-R95 PolarHBondContact O-N 3.14Å; S92-R95 VanDerWaalsContact O-N 3.15Å; S93-R95 PolarHBondContact O-N 3.2Å; R95-E99 PolarHBondContact O-N 3.14Å; R95-E99 VanDerWaalsContact O-N 3.15Å
96E85.1Confident82.5Confident131 Ų131106 Ų10661%0.61252%0.524SS*.Hα-helixtrans-66.8-46.5173.4-69.9176.2-169.300111S92 S93 Y98 E99 Q100S92-E96 PolarHBondContact O-N 3.46Å; S92-E96 VanDerWaalsContact O-N 3.08Å; S93-E96 WeakPolarHBondContact O-CB 3.47Å; S93-E96 PolarHBondContact O-N 3.4Å; E96-Y98 VanDerWaalsContact C-N 3.27Å; E96-Y98 PolarHBondContact O-N 3.28Å; E96-E99 PolarHBondContact O-N 3.28Å; E96-E99 VanDerWaalsContact O-N 3.13Å; E96-Q100 WeakPolarHBondContact O-CG 3.36Å; E96-Q100 PolarHBondContact O-N 3.3Å
97D82.3Confident83.3Confident88 Ų88103.4 Ų103.447%0.47151%0.511SS..Hα-helixtrans-57-40.2174.5-68.6-21000111.9S93 Q100 L101S93-D97 PolarHBondContact O-N 3.35Å; D97-Q100 PolarHBondContact O-N 3.02Å; D97-L101 WeakPolarHBondContact O-CB 3.26Å; D97-L101 PolarHBondContact O-N 3.35Å
98Y85.9Confident84.2Confident145 Ų145106 Ų10657%0.56951%0.513SS*.Hα-helixtrans-64.7-42.1175.7178.8-103.5000112.9A94 E96 L101 K102A94-Y98 WeakPolarHBondContact O-CB 3.38Å; A94-Y98 PolarHBondContact O-N 2.67Å; A94-Y98 VanDerWaalsContact O-N 3.07Å; E96-Y98 VanDerWaalsContact C-N 3.27Å; E96-Y98 PolarHBondContact O-N 3.28Å; Y98-L101 PolarHBondContact O-N 3.17Å; Y98-K102 HydrophobicContact CE1-CD 4.3Å; Y98-K102 WeakPolarHBondContact O-CB 3.34Å; Y98-K102 PolarHBondContact O-N 3Å
99E87.7Confident85.2Confident78 Ų78105.1 Ų105.136%0.36451%0.514SS..Hα-helixtrans-69.1-35.2174.8-70.6-63.3141.100112R95 E96 K102 L103R95-E99 PolarHBondContact O-N 3.14Å; R95-E99 VanDerWaalsContact O-N 3.15Å; E96-E99 PolarHBondContact O-N 3.28Å; E96-E99 VanDerWaalsContact O-N 3.13Å; E99-K102 PolarHBondContact O-N 3.49Å; E99-K102 IonicContact OE1-NZ 3.96Å; E99-K102 PolarHBondContact OE1-NZ 3.3Å; E99-K102 WeakPolarHBondContact OE2-CD 3.46Å; E99-K102 IonicContact OE2-NZ 2.95Å; E99-K102 PolarHBondContact OE2-NZ 2.94Å; E99-L103 WeakPolarHBondContact O-CG 3.33Å; E99-L103 PolarHBondContact O-N 3.48Å
100Q91.2Very high86.1Confident114 Ų114106.2 Ų106.253%0.53352%0.515SS..Hα-helixtrans-61.5-47.8171-69.2-17532.200111.7E96 D97 K102 L103 L104E96-Q100 WeakPolarHBondContact O-CG 3.36Å; E96-Q100 PolarHBondContact O-N 3.3Å; D97-Q100 PolarHBondContact O-N 3.02Å; Q100-K102 VanDerWaalsContact C-N 3.3Å; Q100-K102 PolarHBondContact O-N 2.93Å; Q100-L103 WeakPolarHBondContact O-CB 3.39Å; Q100-L103 PolarHBondContact O-N 3.43Å; Q100-L103 VanDerWaalsContact O-N 3.14Å; Q100-L104 PolarHBondContact O-N 3.37Å
101L90.4Very high86.7Confident94 Ų94102.7 Ų102.749%0.49250%0.499SS..Hα-helixtrans-59.6-41176.3178.960.5000111.7D97 Y98 L103 L104 I105D97-L101 WeakPolarHBondContact O-CB 3.26Å; D97-L101 PolarHBondContact O-N 3.35Å; Y98-L101 PolarHBondContact O-N 3.17Å; L101-L103 PolarHBondContact O-N 3.27Å; L101-L104 PolarHBondContact O-N 2.89Å; L101-I105 HydrophobicContact CD1-CD1 4.22Å; L101-I105 HydrophobicContact CD1-CG1 4.43Å; L101-I105 HydrophobicContact CG-CD1 3.98Å; L101-I105 VanDerWaalsContact O-CG1 3.28Å; L101-I105 WeakPolarHBondContact O-CG1 3.4Å; L101-I105 PolarHBondContact O-N 3.41Å
102K90.7Very high87.6Confident67 Ų67106.8 Ų106.829%0.29150%0.502SS..Hα-helixtrans-65.7-34.4176.4-177-179170.9-156.20112.5Y98 E99 Q100 R106Y98-K102 HydrophobicContact CE1-CD 4.3Å; Y98-K102 WeakPolarHBondContact O-CB 3.34Å; Y98-K102 PolarHBondContact O-N 3Å; E99-K102 PolarHBondContact O-N 3.49Å; E99-K102 IonicContact OE1-NZ 3.96Å; E99-K102 PolarHBondContact OE1-NZ 3.3Å; E99-K102 WeakPolarHBondContact OE2-CD 3.46Å; E99-K102 IonicContact OE2-NZ 2.95Å; E99-K102 PolarHBondContact OE2-NZ 2.94Å; Q100-K102 VanDerWaalsContact C-N 3.3Å; Q100-K102 PolarHBondContact O-N 2.93Å; K102-R106 VanDerWaalsContact O-CG 3.29Å; K102-R106 WeakPolarHBondContact O-CG 3.28Å; K102-R106 PolarHBondContact O-N 3.19Å; K102-R106 VanDerWaalsContact O-N 3.11Å
103L90.5Very high88.7Confident105 Ų105110.3 Ų110.355%0.5551%0.509SS..Hα-helixtrans-67-46.4169.9-72.2170000111.6E99 Q100 L101 I105 R106 E107E99-L103 WeakPolarHBondContact O-CG 3.33Å; E99-L103 PolarHBondContact O-N 3.48Å; Q100-L103 WeakPolarHBondContact O-CB 3.39Å; Q100-L103 PolarHBondContact O-N 3.43Å; Q100-L103 VanDerWaalsContact O-N 3.14Å; L101-L103 PolarHBondContact O-N 3.27Å; L103-I105 PolarHBondContact O-N 3.2Å; L103-R106 WeakPolarHBondContact O-CB 3.31Å; L103-R106 PolarHBondContact O-N 2.86Å; L103-R106 VanDerWaalsContact O-N 3.15Å; L103-E107 PolarHBondContact O-N 3.25Å
104L93.1Very high89.2Confident99 Ų99112 Ų11252%0.51851%0.514SS..Hα-helixtrans-58.9-43.4175.3-72.6168.6000112.1Q100 L101 R106 E107 Q108Q100-L104 PolarHBondContact O-N 3.37Å; L101-L104 PolarHBondContact O-N 2.89Å; L104-R106 VanDerWaalsContact C-N 3.35Å; L104-R106 PolarHBondContact O-N 2.96Å; L104-E107 PolarHBondContact O-N 3.18Å; L104-Q108 WeakPolarHBondContact O-CG 3.48Å; L104-Q108 PolarHBondContact O-N 3.38Å
105I91.6Very high89.8Confident79 Ų79118.4 Ų118.441%0.40553%0.527SS..Hα-helixtrans-62.7-40.3175.8-70.3165.8000111.3L101 L103 K109L101-I105 HydrophobicContact CD1-CD1 4.22Å; L101-I105 HydrophobicContact CD1-CG1 4.43Å; L101-I105 HydrophobicContact CG-CD1 3.98Å; L101-I105 VanDerWaalsContact O-CG1 3.28Å; L101-I105 WeakPolarHBondContact O-CG1 3.4Å; L101-I105 PolarHBondContact O-N 3.41Å; L103-I105 PolarHBondContact O-N 3.2Å; I105-K109 HydrophobicContact CG2-CD 4.09Å; I105-K109 WeakPolarHBondContact O-CB 3.42Å; I105-K109 VanDerWaalsContact O-CG 3.3Å; I105-K109 WeakPolarHBondContact O-CG 3.45Å; I105-K109 PolarHBondContact O-N 3.29Å
106R91.8Very high90.3Very high150 Ų150111.7 Ų111.757%0.56651%0.507SS*.Hα-helixtrans-63.8-41.7174.3-76168.9172.6179.3-2.3111.5K102 L103 L104 K109 K110K102-R106 VanDerWaalsContact O-CG 3.29Å; K102-R106 WeakPolarHBondContact O-CG 3.28Å; K102-R106 PolarHBondContact O-N 3.19Å; K102-R106 VanDerWaalsContact O-N 3.11Å; L103-R106 WeakPolarHBondContact O-CB 3.31Å; L103-R106 PolarHBondContact O-N 2.86Å; L103-R106 VanDerWaalsContact O-N 3.15Å; L104-R106 VanDerWaalsContact C-N 3.35Å; L104-R106 PolarHBondContact O-N 2.96Å; R106-K109 PolarHBondContact O-N 3.21Å; R106-K110 PolarHBondContact O-N 3.22Å
107E93Very high90.5Very high86 Ų86110.1 Ų110.140%0.40250%0.502SS..Hα-helixtrans-66-44.5178-156.1-147.6175.500111.9L103 L104 K109 K110 K111L103-E107 PolarHBondContact O-N 3.25Å; L104-E107 PolarHBondContact O-N 3.18Å; E107-K109 PolarHBondContact O-N 2.77Å; E107-K110 WeakPolarHBondContact O-CB 3.47Å; E107-K110 PolarHBondContact O-N 3.2Å; E107-K110 VanDerWaalsContact O-N 3.14Å; E107-K111 VanDerWaalsContact CD-CE 3.46Å; E107-K111 WeakPolarHBondContact O-CG 3.48Å; E107-K111 PolarHBondContact O-N 3.37Å; E107-K111 WeakPolarHBondContact OE1-CE 3.46Å; E107-K111 IonicContact OE1-NZ 2.69Å; E107-K111 PolarHBondContact OE1-NZ 2.89Å; E107-K111 IonicContact OE2-NZ 2.78Å; E107-K111 PolarHBondContact OE2-NZ 3.44Å
108Q92Very high90.9Very high113 Ų113108.5 Ų108.553%0.52850%0.501SS..Hα-helixtrans-62.7-41175.2-69.9-67.5-0.100111.9L104 K110 K111 Y112L104-Q108 WeakPolarHBondContact O-CG 3.48Å; L104-Q108 PolarHBondContact O-N 3.38Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 3.33Å; Q108-K111 PolarHBondContact O-N 3.11Å; Q108-Y112 WeakPolarHBondContact O-CB 3.43Å; Q108-Y112 PolarHBondContact O-N 2.9Å
109K92Very high91Very high148 Ų148105.9 Ų105.964%0.64349%0.494SS*.Hα-helixtrans-61.1-38.8172.6-76.2174.9178.6178.10111.9I105 R106 E107 K113I105-K109 HydrophobicContact CG2-CD 4.09Å; I105-K109 WeakPolarHBondContact O-CB 3.42Å; I105-K109 VanDerWaalsContact O-CG 3.3Å; I105-K109 WeakPolarHBondContact O-CG 3.45Å; I105-K109 PolarHBondContact O-N 3.29Å; R106-K109 PolarHBondContact O-N 3.21Å; E107-K109 PolarHBondContact O-N 2.77Å; K109-K113 WeakPolarHBondContact O-CB 3.44Å; K109-K113 PolarHBondContact O-N 2.7Å
110K92Very high91.3Very high145 Ų145107.3 Ų107.363%0.6350%0.499SS*.Hα-helixtrans-66.4-46.2174.1-171.1-179.4179.1-1760111.7R106 E107 Q108 Y112 K113 N114R106-K110 PolarHBondContact O-N 3.22Å; E107-K110 WeakPolarHBondContact O-CB 3.47Å; E107-K110 PolarHBondContact O-N 3.2Å; E107-K110 VanDerWaalsContact O-N 3.14Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 3.33Å; K110-Y112 PolarHBondContact O-N 3.45Å; K110-K113 PolarHBondContact O-N 3.14Å; K110-N114 PolarHBondContact O-N 3.13Å; K110-N114 PolarHBondContact O-OD1 3.06Å
111K93.1Very high91.1Very high84 Ų84104.8 Ų104.837%0.36550%0.497SS..Hα-helixtrans-58.8-45.3175.1-75.9169.1175163.10111.6E107 Q108 N114 R115E107-K111 VanDerWaalsContact CD-CE 3.46Å; E107-K111 WeakPolarHBondContact O-CG 3.48Å; E107-K111 PolarHBondContact O-N 3.37Å; E107-K111 WeakPolarHBondContact OE1-CE 3.46Å; E107-K111 IonicContact OE1-NZ 2.69Å; E107-K111 PolarHBondContact OE1-NZ 2.89Å; E107-K111 IonicContact OE2-NZ 2.78Å; E107-K111 PolarHBondContact OE2-NZ 3.44Å; Q108-K111 PolarHBondContact O-N 3.11Å; K111-N114 PolarHBondContact O-N 2.94Å; K111-R115 WeakPolarHBondContact O-CG 3.37Å; K111-R115 PolarHBondContact O-N 2.89Å
112Y89.6Confident91.2Very high148 Ų148107.3 Ų107.358%0.5850%0.504SS*.Hα-helixtrans-62-49176-178.8-102000112.1Q108 K110 N114 R115 V116Q108-Y112 WeakPolarHBondContact O-CB 3.43Å; Q108-Y112 PolarHBondContact O-N 2.9Å; K110-Y112 PolarHBondContact O-N 3.45Å; Y112-N114 VanDerWaalsContact C-N 3.29Å; Y112-N114 PolarHBondContact O-N 2.88Å; Y112-R115 PolarHBondContact O-N 3.06Å; Y112-R115 VanDerWaalsContact O-N 3.11Å; Y112-V116 HydrophobicContact CD1-CG2 4.16Å; Y112-V116 HydrophobicContact CD2-CG2 4.47Å; Y112-V116 HydrophobicContact CE1-CG2 3.73Å; Y112-V116 HydrophobicContact CE2-CG2 4.07Å; Y112-V116 WeakPolarHBondContact O-CG2 3.29Å; Y112-V116 PolarHBondContact O-N 3.19Å
113K91.3Very high91Very high139 Ų139111.9 Ų111.960%0.60452%0.52SS*.Hα-helixtrans-56.6-42.3176.7-173.5176.2-179.7179.10112K109 K110 V116 L117K109-K113 WeakPolarHBondContact O-CB 3.44Å; K109-K113 PolarHBondContact O-N 2.7Å; K110-K113 PolarHBondContact O-N 3.14Å; K113-V116 PolarHBondContact O-N 3.11Å; K113-L117 HydrophobicContact CG-CD1 4.29Å; K113-L117 WeakPolarHBondContact O-CG 3.22Å; K113-L117 PolarHBondContact O-N 3.16Å
114N90Very high91Very high93 Ų93112.3 Ų112.350%0.49752%0.517SS..Hα-helixtrans-65.5-41.3176.8-71.80.8000112.4K110 K111 Y112 L117 A118K110-N114 PolarHBondContact O-N 3.13Å; K110-N114 PolarHBondContact O-OD1 3.06Å; K111-N114 PolarHBondContact O-N 2.94Å; Y112-N114 VanDerWaalsContact C-N 3.29Å; Y112-N114 PolarHBondContact O-N 2.88Å; N114-L117 PolarHBondContact O-N 3.37Å; N114-A118 WeakPolarHBondContact O-CB 3.25Å; N114-A118 PolarHBondContact O-N 2.57Å
115R91.7Very high90.7Very high189 Ų189109.3 Ų109.371%0.71351%0.507SS*.Hα-helixtrans-61.5-46.3174.6-73.4177179.6-178.4-0111.8K111 Y112 L117 A118 E119K111-R115 WeakPolarHBondContact O-CG 3.37Å; K111-R115 PolarHBondContact O-N 2.89Å; Y112-R115 PolarHBondContact O-N 3.06Å; Y112-R115 VanDerWaalsContact O-N 3.11Å; R115-L117 VanDerWaalsContact C-N 3.34Å; R115-L117 PolarHBondContact O-N 3.08Å; R115-A118 PolarHBondContact O-N 3.39Å; R115-E119 WeakPolarHBondContact O-CB 3.41Å; R115-E119 PolarHBondContact O-N 3.35Å
116V90.9Very high90.6Very high50 Ų50109.9 Ų109.930%0.30351%0.51SS..Hα-helixtrans-62-40.4177.1173.50000111.6Y112 K113 E119 K120Y112-V116 HydrophobicContact CD1-CG2 4.16Å; Y112-V116 HydrophobicContact CD2-CG2 4.47Å; Y112-V116 HydrophobicContact CE1-CG2 3.73Å; Y112-V116 HydrophobicContact CE2-CG2 4.07Å; Y112-V116 WeakPolarHBondContact O-CG2 3.29Å; Y112-V116 PolarHBondContact O-N 3.19Å; K113-V116 PolarHBondContact O-N 3.11Å; V116-E119 PolarHBondContact O-N 2.99Å; V116-K120 VanDerWaalsContact O-CB 3.32Å; V116-K120 WeakPolarHBondContact O-CB 3.22Å; V116-K120 PolarHBondContact O-N 2.92Å
117L89.8Confident90.2Very high98 Ų98109.1 Ų109.151%0.51351%0.513SS..Hα-helixtrans-65.7-42.4175.2-73.3171.8000112.4K113 N114 R115 E119 K120 A121K113-L117 HydrophobicContact CG-CD1 4.29Å; K113-L117 WeakPolarHBondContact O-CG 3.22Å; K113-L117 PolarHBondContact O-N 3.16Å; N114-L117 PolarHBondContact O-N 3.37Å; R115-L117 VanDerWaalsContact C-N 3.34Å; R115-L117 PolarHBondContact O-N 3.08Å; L117-E119 VanDerWaalsContact C-N 3.35Å; L117-K120 PolarHBondContact O-N 3.15Å; L117-A121 WeakPolarHBondContact O-CB 3.44Å; L117-A121 PolarHBondContact O-N 2.94Å
118A90.7Very high89.8Confident54 Ų54112.1 Ų112.145%0.44652%0.52SS..Hα-helixtrans-63.9-39.8175.400000111.8N114 R115 A121 K122N114-A118 WeakPolarHBondContact O-CB 3.25Å; N114-A118 PolarHBondContact O-N 2.57Å; R115-A118 PolarHBondContact O-N 3.39Å; A118-A121 WeakPolarHBondContact O-CB 3.5Å; A118-A121 PolarHBondContact O-N 3.02Å; A118-K122 WeakPolarHBondContact O-CG 3.35Å; A118-K122 PolarHBondContact O-N 3.3Å
119E88.7Confident89.4Confident90 Ų90111.5 Ų111.542%0.42152%0.52SS..Hα-helixtrans-68.1-42.5175.9-157.1-163152.500111.9R115 V116 L117 A121 K122 R123R115-E119 WeakPolarHBondContact O-CB 3.41Å; R115-E119 PolarHBondContact O-N 3.35Å; V116-E119 PolarHBondContact O-N 2.99Å; L117-E119 VanDerWaalsContact C-N 3.35Å; E119-A121 VanDerWaalsContact C-N 3.26Å; E119-A121 PolarHBondContact O-N 3.45Å; E119-K122 WeakPolarHBondContact O-CB 3.31Å; E119-K122 PolarHBondContact O-N 2.91Å; E119-K122 VanDerWaalsContact O-N 3.13Å; E119-R123 WeakPolarHBondContact O-CG 3.41Å; E119-R123 PolarHBondContact O-N 3.11Å; E119-R123 IonicContact OE1-CZ 2.61Å; E119-R123 IonicContact OE1-NE 3.2Å; E119-R123 PolarHBondContact OE1-NE 2.77Å; E119-R123 IonicContact OE1-NH2 2.75Å; E119-R123 PolarHBondContact OE1-NH2 3.38Å
120K92.4Very high88.9Confident108 Ų108110.2 Ų110.247%0.4752%0.515SS..Hα-helixtrans-59.5-37.5173.2-169.8168.8-172.6165.40111.5V116 L117 K124V116-K120 VanDerWaalsContact O-CB 3.32Å; V116-K120 WeakPolarHBondContact O-CB 3.22Å; V116-K120 PolarHBondContact O-N 2.92Å; L117-K120 PolarHBondContact O-N 3.15Å; K120-K124 WeakPolarHBondContact O-CB 3.3Å; K120-K124 PolarHBondContact O-N 3.38Å
121A88.8Confident88.3Confident61 Ų61106.1 Ų106.150%0.50451%0.508SS..Hα-helixtrans-66.2-43.917300000112.4L117 A118 E119 K124 A125L117-A121 WeakPolarHBondContact O-CB 3.44Å; L117-A121 PolarHBondContact O-N 2.94Å; A118-A121 WeakPolarHBondContact O-CB 3.5Å; A118-A121 PolarHBondContact O-N 3.02Å; E119-A121 VanDerWaalsContact C-N 3.26Å; E119-A121 PolarHBondContact O-N 3.45Å; A121-K124 PolarHBondContact O-N 3.03Å; A121-A125 PolarHBondContact O-N 3.16Å
122K91.6Very high87.6Confident147 Ų147111.4 Ų111.464%0.63953%0.526SS*.Hα-helixtrans-60.2-49.7174.2-73.7179.7177.9-171.60112A118 E119 K124 A125 I126A118-K122 WeakPolarHBondContact O-CG 3.35Å; A118-K122 PolarHBondContact O-N 3.3Å; E119-K122 WeakPolarHBondContact O-CB 3.31Å; E119-K122 PolarHBondContact O-N 2.91Å; E119-K122 VanDerWaalsContact O-N 3.13Å; K122-K124 VanDerWaalsContact C-N 3.32Å; K122-K124 PolarHBondContact O-N 2.78Å; K122-A125 WeakPolarHBondContact O-CB 3.41Å; K122-A125 PolarHBondContact O-N 3.4Å; K122-A125 VanDerWaalsContact O-N 3.08Å; K122-I126 WeakPolarHBondContact O-CG1 3.39Å; K122-I126 PolarHBondContact O-N 3.45Å
123R86.4Confident87Confident164 Ų164111.8 Ų111.862%0.61953%0.53SS*.Hα-helixtrans-56.9-44.6177-68.5178.9-173.9-158.24.6111.3E119 A125 I126 E127E119-R123 WeakPolarHBondContact O-CG 3.41Å; E119-R123 PolarHBondContact O-N 3.11Å; E119-R123 IonicContact OE1-CZ 2.61Å; E119-R123 IonicContact OE1-NE 3.2Å; E119-R123 PolarHBondContact OE1-NE 2.77Å; E119-R123 IonicContact OE1-NH2 2.75Å; E119-R123 PolarHBondContact OE1-NH2 3.38Å; R123-A125 VanDerWaalsContact C-N 3.34Å; R123-A125 PolarHBondContact O-N 3.31Å; R123-I126 PolarHBondContact O-N 3.27Å; R123-E127 WeakPolarHBondContact O-CB 3.38Å; R123-E127 PolarHBondContact O-N 3.32Å
124K90.7Very high85.8Confident113 Ų113111.4 Ų111.449%0.49154%0.535SS..Hα-helixtrans-67.4-28.6176.3-169.5170.2-172.4170.10113.8K120 A121 K122 R128K120-K124 WeakPolarHBondContact O-CB 3.3Å; K120-K124 PolarHBondContact O-N 3.38Å; A121-K124 PolarHBondContact O-N 3.03Å; K122-K124 VanDerWaalsContact C-N 3.32Å; K122-K124 PolarHBondContact O-N 2.78Å; K124-R128 WeakPolarHBondContact O-CD 3.31Å; K124-R128 VanDerWaalsContact O-CG 3.27Å; K124-R128 WeakPolarHBondContact O-CG 3.42Å; K124-R128 PolarHBondContact O-N 3.32Å
125A87.2Confident84.3Confident37 Ų37111.2 Ų111.231%0.30654%0.541SS..Hα-helixtrans-71.2-44.2172.100000111.2A121 K122 R123 R128 L129A121-A125 PolarHBondContact O-N 3.16Å; K122-A125 WeakPolarHBondContact O-CB 3.41Å; K122-A125 PolarHBondContact O-N 3.4Å; K122-A125 VanDerWaalsContact O-N 3.08Å; R123-A125 VanDerWaalsContact C-N 3.34Å; R123-A125 PolarHBondContact O-N 3.31Å; A125-R128 PolarHBondContact O-N 3.4Å; A125-L129 WeakPolarHBondContact O-CG 3.42Å; A125-L129 PolarHBondContact O-N 2.87Å; A125-L129 VanDerWaalsContact O-N 3.07Å
126I88.2Confident82.5Confident90 Ų90105.5 Ų105.546%0.46253%0.534SS..Hα-helixtrans-61.6-45.5175.7-68.2165.8000111K122 R123 R128 L129 F130K122-I126 WeakPolarHBondContact O-CG1 3.39Å; K122-I126 PolarHBondContact O-N 3.45Å; R123-I126 PolarHBondContact O-N 3.27Å; I126-R128 VanDerWaalsContact C-N 3.3Å; I126-R128 PolarHBondContact O-N 3.07Å; I126-L129 WeakPolarHBondContact O-CB 3.48Å; I126-L129 PolarHBondContact O-N 3.45Å; I126-L129 VanDerWaalsContact O-N 3.07Å; I126-F130 HydrophobicContact CG2-CD2 3.59Å; I126-F130 HydrophobicContact CG2-CE2 3.49Å; I126-F130 VanDerWaalsContact CG2-CE2 3.49Å; I126-F130 WeakPolarHBondContact O-CD2 3.38Å; I126-F130 PolarHBondContact O-N 3.05Å
127E83.8Confident80.2Confident134 Ų134108 Ų10863%0.62655%0.554SS**Hα-helixtrans-56.5-41.8175.6-174.3-176.7-16800112.2R123 F130 A131R123-E127 WeakPolarHBondContact O-CB 3.38Å; R123-E127 PolarHBondContact O-N 3.32Å; E127-F130 PolarHBondContact O-N 3.08Å; E127-A131 WeakPolarHBondContact O-CB 3.42Å; E127-A131 PolarHBondContact O-N 3.19Å
128R84.8Confident78Confident150 Ų150109 Ų10957%0.56657%0.566SS**Hα-helixtrans-66.4-36.2174.7-73.2165.5172.8162.7-8.4113.1K124 A125 I126 R132K124-R128 WeakPolarHBondContact O-CD 3.31Å; K124-R128 VanDerWaalsContact O-CG 3.27Å; K124-R128 WeakPolarHBondContact O-CG 3.42Å; K124-R128 PolarHBondContact O-N 3.32Å; A125-R128 PolarHBondContact O-N 3.4Å; I126-R128 VanDerWaalsContact C-N 3.3Å; I126-R128 PolarHBondContact O-N 3.07Å; R128-R132 WeakPolarHBondContact O-CB 3.37Å; R128-R132 PolarHBondContact O-N 3.23Å
129L84.6Confident75.6Confident99 Ų99111.5 Ų111.552%0.51858%0.581SS.*Hα-helixtrans-67.2-44.1175.2-69.7171.8000111.1A125 I126 R132 K133A125-L129 WeakPolarHBondContact O-CG 3.42Å; A125-L129 PolarHBondContact O-N 2.87Å; A125-L129 VanDerWaalsContact O-N 3.07Å; I126-L129 WeakPolarHBondContact O-CB 3.48Å; I126-L129 PolarHBondContact O-N 3.45Å; I126-L129 VanDerWaalsContact O-N 3.07Å; L129-R132 PolarHBondContact O-N 3.37Å; L129-K133 PolarHBondContact O-N 3.13Å
130F80.5Confident73Confident121 Ų121116.4 Ų116.453%0.53160%0.603SS.*Hα-helixtrans-65-41.3174.2-80.8-68000112.6I126 E127 R132 K133 N134I126-F130 HydrophobicContact CG2-CD2 3.59Å; I126-F130 HydrophobicContact CG2-CE2 3.49Å; I126-F130 VanDerWaalsContact CG2-CE2 3.49Å; I126-F130 WeakPolarHBondContact O-CD2 3.38Å; I126-F130 PolarHBondContact O-N 3.05Å; E127-F130 PolarHBondContact O-N 3.08Å; F130-R132 VanDerWaalsContact C-N 3.33Å; F130-R132 PolarHBondContact O-N 3.15Å; F130-K133 PolarHBondContact O-N 3.01Å; F130-N134 WeakPolarHBondContact O-CB 3.28Å; F130-N134 PolarHBondContact O-N 2.99Å; F130-N134 PolarHBondContact O-OD1 3.13Å
131A79.4Confident70.7Confident60 Ų60116.2 Ų116.250%0.49662%0.615SS.*Hα-helixtrans-59-44.4173.800000111.5E127 N134 S135E127-A131 WeakPolarHBondContact O-CB 3.42Å; E127-A131 PolarHBondContact O-N 3.19Å; A131-N134 PolarHBondContact O-N 2.88Å; A131-S135 WeakPolarHBondContact O-CB 3.21Å; A131-S135 PolarHBondContact O-N 2.83Å; A131-S135 PolarHBondContact O-OG 3.15Å
132R77.7Confident68.2Low194 Ų194122.5 Ų122.573%0.73264%0.635SS**Hα-helixtrans-65.2-37.5176.6-171.3179.3-178.7-164.9-0.6112.9R128 L129 F130 S135 A136R128-R132 WeakPolarHBondContact O-CB 3.37Å; R128-R132 PolarHBondContact O-N 3.23Å; L129-R132 PolarHBondContact O-N 3.37Å; F130-R132 VanDerWaalsContact C-N 3.33Å; F130-R132 PolarHBondContact O-N 3.15Å; R132-S135 WeakPolarHBondContact CA-OG 3.43Å; R132-S135 PolarHBondContact O-OG 2.92Å; R132-A136 PolarHBondContact O-N 2.93Å
133K77.3Confident65.4Low157 Ų157118.9 Ų118.968%0.68364%0.639SS**Hα-helixtrans-67.5-40.7175.3-173.1176.2179.9178.60111.5L129 F130 A136L129-K133 PolarHBondContact O-N 3.13Å; F130-K133 PolarHBondContact O-N 3.01Å; K133-A136 WeakPolarHBondContact O-CB 3.35Å; K133-A136 PolarHBondContact O-N 3.3Å
134N66Low63Low130 Ų130117.1 Ų117.170%0.69565%0.646SS**Hα-helixtrans-77.9-20.8-179.5-63.7-7000113.2F130 A131 A136F130-N134 WeakPolarHBondContact O-CB 3.28Å; F130-N134 PolarHBondContact O-N 2.99Å; F130-N134 PolarHBondContact O-OD1 3.13Å; A131-N134 PolarHBondContact O-N 2.88Å; N134-A136 VanDerWaalsContact C-N 3.35Å
135S59.8Low60.3Low90 Ų90118.7 Ų118.763%0.62967%0.665SS**THydrogen-bonded Turntrans-84.5-7.3169.564.70000113.6A131 R132 S137A131-S135 WeakPolarHBondContact O-CB 3.21Å; A131-S135 PolarHBondContact O-N 2.83Å; A131-S135 PolarHBondContact O-OG 3.15Å; R132-S135 WeakPolarHBondContact CA-OG 3.43Å; R132-S135 PolarHBondContact O-OG 2.92Å; S135-S137 PolarHBondContact O-N 2.87Å
136A52.8Low58Low68 Ų68121.5 Ų121.556%0.56268%0.683SS**SBendtrans-84.288.7171.600000108.4R132 K133 N134R132-A136 PolarHBondContact O-N 2.93Å; K133-A136 WeakPolarHBondContact O-CB 3.35Å; K133-A136 PolarHBondContact O-N 3.3Å; N134-A136 VanDerWaalsContact C-N 3.35Å
137S43.5Very low55.4Low104 Ų104125.3 Ų125.373%0.72771%0.705SS**  trans-54.3129.3170.848.10000110.2S135 S139S135-S137 PolarHBondContact O-N 2.87Å; S137-S139 PolarHBondContact O-N 3.25Å; S137-S139 VanDerWaalsContact O-N 3.15Å
138P43.6Very low53.1Low118 Ų118126.4 Ų126.477%0.76671%0.714SS**  trans-70.3111.1173.829.2-31.7000108.7E140P138-E140 PolarHBondContact O-N 3.41Å
139S39Very low50.6Low107 Ų107124.8 Ų124.875%0.74872%0.721SS**  trans-77.2104.5162.455.50000107.6S137 S141S137-S139 PolarHBondContact O-N 3.25Å; S137-S139 VanDerWaalsContact O-N 3.15Å; S139-S141 PolarHBondContact O-N 3.5Å
140E34.6Very low48.1Very low192 Ų192127.6 Ų127.690%0.89774%0.735SS**  trans-66.3115.4169.2-65-178.1153.500108.7P138P138-E140 PolarHBondContact O-N 3.41Å
141S43.8Very low45.9Very low104 Ų104127.9 Ų127.973%0.72775%0.747SS**  trans-144.1114165.363.10000109.3S139S139-S141 PolarHBondContact O-N 3.5Å
142E37.4Very low43.7Very low194 Ų194134 Ų13491%0.90777%0.765SS**  trans-25.2150.4168.4-55.1170131.600117.8
143G32.4Very low41.5Very low70 Ų70129.9 Ų129.972%0.72277%0.766SS**  trans68.6137.8154.400000116.2
144T36.2Very low39.6Very low127 Ų127128.4 Ų128.478%0.77978%0.776SS**  cis-161.1142.128.3-57.10000107.8S146T144-S146 PolarHBondContact O-N 3.02Å
145T34.2Very low38.2Very low146 Ų146129.7 Ų129.790%0.89678%0.778SS**  trans-72.8107.3168.848.50000110
146S38.9Very low37Very low97 Ų97134.9 Ų134.968%0.67879%0.792SS**  trans-129.3118.6168.253.90000110.9T144 L148T144-S146 PolarHBondContact O-N 3.02Å; S146-L148 PolarHBondContact O-N 2.92Å
147N32.3Very low36.4Very low170 Ų170135.2 Ų135.291%0.90979%0.787SS**  trans-61.8124.4174.4-64.6-44.6000109.5
148L37.3Very low36.6Very low157 Ų157135 Ų13582%0.82278%0.778SS**  trans-13794.3167.8-119.8155.8000111S146S146-L148 PolarHBondContact O-N 2.92Å
149T30.6Very low36.5Very low116 Ų116139 Ų13971%0.71278%0.778SS**  trans1.8128.2158.8-36.90000118.2T151T149-T151 PolarHBondContact O-N 3.43Å
150L33.2Very low37.5Very low157 Ų157137.5 Ų137.582%0.82277%0.767SS**  trans-48.5114.8161.6-136.381.6000111.4
151T33.8Very low38.6Very low127 Ų127131.9 Ų131.978%0.77974%0.744SS**  trans-123.1116.4156.140.20000109.2T149 S153T149-T151 PolarHBondContact O-N 3.43Å; T151-S153 PolarHBondContact O-N 3.22Å
152Q33Very low39.6Very low188 Ų188133.5 Ų133.588%0.87974%0.74SS**  trans-68.4115.8175.9-65.9166.9-18.300108.5
153S32.5Very low41Very low108 Ų108130.2 Ų130.276%0.75572%0.723SS**  trans-127.3118.2161.169.90000110.2T151 Q155T151-S153 PolarHBondContact O-N 3.22Å; S153-Q155 PolarHBondContact O-N 2.86Å; S153-Q155 VanDerWaalsContact O-N 3.16Å
154S36.7Very low42.6Very low126 Ų126131.8 Ų131.888%0.88171%0.714SS**  trans-75.796.6179.350.40000109.9
155Q37.1Very low44.3Very low157 Ų157130.2 Ų130.273%0.73470%0.701SS**  trans-140.976.5169.9-145.9174.726.500111.6S153 T157S153-Q155 PolarHBondContact O-N 2.86Å; S153-Q155 VanDerWaalsContact O-N 3.16Å; Q155-T157 VanDerWaalsContact C-N 3.25Å; Q155-T157 HydrophobicContact CG-CG2 4.44Å; Q155-T157 PolarHBondContact O-N 2.78Å; Q155-T157 PolarHBondContact O-OG1 2.69Å
156E34Very low46Very low199 Ų199126.7 Ų126.793%0.9368%0.677SS**  trans-61.186.8167.2-69.2-172.1138.900110
157T41.3Very low47.2Very low76 Ų76126.4 Ų126.447%0.46667%0.667SS.*  trans-87.6120.4174.923.70000108.9Q155 W159Q155-T157 VanDerWaalsContact C-N 3.25Å; Q155-T157 HydrophobicContact CG-CG2 4.44Å; Q155-T157 PolarHBondContact O-N 2.78Å; Q155-T157 PolarHBondContact O-OG1 2.69Å; T157-W159 VanDerWaalsContact C-N 3.31Å; T157-W159 PolarHBondContact O-N 2.86Å
158N47.2Very low48.8Very low98 Ų98122.4 Ų122.452%0.52464%0.644SS.*  trans-66.182.6-179-83.9-12.7000112.5S160 D161 Q162N158-S160 PolarHBondContact O-N 3.22Å; N158-S160 VanDerWaalsContact O-N 3.17Å; N158-D161 HydrophobicContact CB-CB 3.98Å; N158-D161 PolarHBondContact ND2-OD2 2.95Å; N158-D161 PolarHBondContact O-N 3.43Å; N158-D161 VanDerWaalsContact O-N 3.11Å; N158-Q162 PolarHBondContact O-N 3.49Å
159W40.8Very low49.9Very low202 Ų202123.5 Ų123.577%0.76564%0.638SS**Hα-helixtrans-56.4-27.1171.6-68.392.7000112.6T157 F163T157-W159 VanDerWaalsContact C-N 3.31Å; T157-W159 PolarHBondContact O-N 2.86Å; W159-F163 WeakPolarHBondContact O-CB 3.46Å; W159-F163 PolarHBondContact O-N 3.27Å
160S61.3Low51.3Low76 Ų76124.2 Ų124.253%0.53163%0.631SS.*Hα-helixtrans-67.1-46.3173.645.50000113.2N158 F163 L164N158-S160 PolarHBondContact O-N 3.22Å; N158-S160 VanDerWaalsContact O-N 3.17Å; S160-F163 PolarHBondContact O-N 3.45Å; S160-L164 WeakPolarHBondContact O-CB 3.35Å; S160-L164 PolarHBondContact O-N 2.94Å
161D56.4Low52.1Low74 Ų74121.3 Ų121.340%0.39662%0.62SS.*Hα-helixtrans-79.1-37.1-171.3-66.3-20.1000112.2N158 F163 L164 N165N158-D161 HydrophobicContact CB-CB 3.98Å; N158-D161 PolarHBondContact ND2-OD2 2.95Å; N158-D161 PolarHBondContact O-N 3.43Å; N158-D161 VanDerWaalsContact O-N 3.11Å; D161-F163 VanDerWaalsContact C-N 3.32Å; D161-F163 PolarHBondContact O-N 2.9Å; D161-L164 PolarHBondContact O-N 3.15Å; D161-N165 WeakPolarHBondContact O-CB 3Å; D161-N165 PolarHBondContact O-N 2.96Å; D161-N165 PolarHBondContact O-ND2 3.14Å
162Q65.7Low52.7Low139 Ų139120.1 Ų120.165%0.6561%0.612SS**Hα-helixtrans-60.3-44.7171.2-81.2-173.3-8.300110.6N158 L164 N165 D166N158-Q162 PolarHBondContact O-N 3.49Å; Q162-L164 PolarHBondContact O-N 2.89Å; Q162-N165 PolarHBondContact O-N 3.37Å; Q162-D166 VanDerWaalsContact O-CB 3.31Å; Q162-D166 WeakPolarHBondContact O-CB 3.28Å; Q162-D166 PolarHBondContact O-N 3.21Å
163F66.9Low53.4Low124 Ų124122.2 Ų122.254%0.54461%0.612SS.*Hα-helixtrans-65.7-38.2178.5-165.2-91.3000112.7W159 S160 D161 L167W159-F163 WeakPolarHBondContact O-CB 3.46Å; W159-F163 PolarHBondContact O-N 3.27Å; S160-F163 PolarHBondContact O-N 3.45Å; D161-F163 VanDerWaalsContact C-N 3.32Å; D161-F163 PolarHBondContact O-N 2.9Å; F163-L167 WeakPolarHBondContact O-CB 3.37Å; F163-L167 PolarHBondContact O-N 3.38Å
164L65.8Low53.7Low103 Ų103127.7 Ų127.754%0.53962%0.616SS.*Hα-helixtrans-65.5-46.7176.9-144.383.8000111.6S160 D161 Q162 D166 L167 I168S160-L164 WeakPolarHBondContact O-CB 3.35Å; S160-L164 PolarHBondContact O-N 2.94Å; D161-L164 PolarHBondContact O-N 3.15Å; Q162-L164 PolarHBondContact O-N 2.89Å; L164-D166 VanDerWaalsContact C-N 3.34Å; L164-D166 PolarHBondContact O-N 3.28Å; L164-L167 WeakPolarHBondContact O-CB 3.38Å; L164-L167 PolarHBondContact O-N 3.36Å; L164-I168 VanDerWaalsContact O-CG1 3.3Å; L164-I168 WeakPolarHBondContact O-CG1 3.46Å; L164-I168 PolarHBondContact O-N 3.34Å
165N71.2Confident53.5Low94 Ų94125.9 Ų125.950%0.50360%0.603SS.*Hα-helixtrans-63.1-39.6178.1-80.2-60.5000112.2D161 Q162 I168 R169D161-N165 WeakPolarHBondContact O-CB 3Å; D161-N165 PolarHBondContact O-N 2.96Å; D161-N165 PolarHBondContact O-ND2 3.14Å; Q162-N165 PolarHBondContact O-N 3.37Å; N165-I168 PolarHBondContact O-N 3.28Å; N165-R169 WeakPolarHBondContact O-CG 3.44Å; N165-R169 PolarHBondContact O-N 3.16Å
166D70.1Confident53.3Low73 Ų73123.6 Ų123.639%0.3960%0.6SS.*Hα-helixtrans-71.3-32.2178.9-143.746000112.1Q162 L164 K170Q162-D166 VanDerWaalsContact O-CB 3.31Å; Q162-D166 WeakPolarHBondContact O-CB 3.28Å; Q162-D166 PolarHBondContact O-N 3.21Å; L164-D166 VanDerWaalsContact C-N 3.34Å; L164-D166 PolarHBondContact O-N 3.28Å; D166-K170 WeakPolarHBondContact O-CB 3.22Å; D166-K170 WeakPolarHBondContact O-CD 3.43Å; D166-K170 WeakPolarHBondContact O-CG 3.43Å; D166-K170 PolarHBondContact O-N 3.1Å; D166-K170 VanDerWaalsContact O-N 3.17Å; D166-K170 IonicContact OD2-NZ 3.2Å; D166-K170 PolarHBondContact OD2-NZ 2.89Å
167L63.7Low53.5Low90 Ų90120.4 Ų120.447%0.47160%0.596SS.*Hα-helixtrans-65.2-47171-161.680.3000111.3F163 L164 K170 T171F163-L167 WeakPolarHBondContact O-CB 3.37Å; F163-L167 PolarHBondContact O-N 3.38Å; L164-L167 WeakPolarHBondContact O-CB 3.38Å; L164-L167 PolarHBondContact O-N 3.36Å; L167-K170 PolarHBondContact O-N 3.43Å; L167-T171 PolarHBondContact O-N 3.38Å; L167-T171 PolarHBondContact O-OG1 3.45Å; L167-T171 VanDerWaalsContact O-OG1 3.1Å
168I65.4Low53.1Low86 Ų86122.3 Ų122.344%0.44161%0.608SS.*Hα-helixtrans-61.3-47.6178.6-68.1163.6000110.7L164 N165 K170 T171 V172L164-I168 VanDerWaalsContact O-CG1 3.3Å; L164-I168 WeakPolarHBondContact O-CG1 3.46Å; L164-I168 PolarHBondContact O-N 3.34Å; N165-I168 PolarHBondContact O-N 3.28Å; I168-K170 PolarHBondContact O-N 3.2Å; I168-T171 PolarHBondContact O-N 3.27Å; I168-T171 PolarHBondContact O-OG1 3.34Å; I168-T171 VanDerWaalsContact O-OG1 3.14Å; I168-V172 HydrophobicContact CG2-CG2 4.27Å; I168-V172 WeakPolarHBondContact O-CG2 3.37Å; I168-V172 PolarHBondContact O-N 2.8Å
169R61.8Low52.6Low181 Ų181128.8 Ų128.868%0.68363%0.625SS**Hα-helixtrans-57.4-36.6175.7-75.3178.8178.6-166.50.1112.5N165 R173N165-R169 WeakPolarHBondContact O-CG 3.44Å; N165-R169 PolarHBondContact O-N 3.16Å; R169-R173 PolarHBondContact O-N 2.95Å
170K59.3Low52.2Low131 Ų131127.2 Ų127.257%0.5763%0.626SS**Hα-helixtrans-79-24.5-180-76.7166.9179.4155.20114.3D166 L167 I168D166-K170 WeakPolarHBondContact O-CB 3.22Å; D166-K170 WeakPolarHBondContact O-CD 3.43Å; D166-K170 WeakPolarHBondContact O-CG 3.43Å; D166-K170 PolarHBondContact O-N 3.1Å; D166-K170 VanDerWaalsContact O-N 3.17Å; D166-K170 IonicContact OD2-NZ 3.2Å; D166-K170 PolarHBondContact OD2-NZ 2.89Å; L167-K170 PolarHBondContact O-N 3.43Å; I168-K170 PolarHBondContact O-N 3.2Å
171T51.2Low51Low95 Ų95133.1 Ų133.158%0.58364%0.643SS**Hα-helixtrans-82.5-37.6170.3350000113L167 I168 R173 R174L167-T171 PolarHBondContact O-N 3.38Å; L167-T171 PolarHBondContact O-OG1 3.45Å; L167-T171 VanDerWaalsContact O-OG1 3.1Å; I168-T171 PolarHBondContact O-N 3.27Å; I168-T171 PolarHBondContact O-OG1 3.34Å; I168-T171 VanDerWaalsContact O-OG1 3.14Å; T171-R173 VanDerWaalsContact C-N 3.28Å; T171-R173 PolarHBondContact O-N 2.95Å; T171-R174 PolarHBondContact O-N 3.4Å; T171-R174 VanDerWaalsContact O-N 3.15Å
172V46.1Very low50.1Low102 Ų102139 Ų13962%0.61867%0.665SS**Hα-helixtrans-62.2-34.5178.5171.10000112I168 R174I168-V172 HydrophobicContact CG2-CG2 4.27Å; I168-V172 WeakPolarHBondContact O-CG2 3.37Å; I168-V172 PolarHBondContact O-N 2.8Å; V172-R174 PolarHBondContact O-N 2.84Å
173R46.2Very low48.3Very low233 Ų233140.3 Ų140.388%0.87968%0.676SS**THydrogen-bonded Turntrans-79.310.7176.5-70.6-170.7173.6-162.3-1.6115.3R169 T171R169-R173 PolarHBondContact O-N 2.95Å; T171-R173 VanDerWaalsContact C-N 3.28Å; T171-R173 PolarHBondContact O-N 2.95Å
174R40.2Very low47.1Very low223 Ų223144.1 Ų144.184%0.84269%0.693SS**THydrogen-bonded Turntrans-123.79.8-172.8-123.9177.9-179.7133.11.3115.7T171 V172T171-R174 PolarHBondContact O-N 3.4Å; T171-R174 VanDerWaalsContact O-N 3.15Å; V172-R174 PolarHBondContact O-N 2.84Å
175S31.4Very low45.5Very low87 Ų87144.7 Ų144.761%0.60871%0.705SS**  trans-89.6132.9171.553.40000111.8
176V34.2Very low43.7Very low110 Ų110146.6 Ų146.667%0.66772%0.72SS**  trans76.3116.1168.9-164.80000114T178V176-T178 HydrophobicContact CG1-CG2 4.07Å
177P36.8Very low42.2Very low131 Ų131152.8 Ų152.885%0.85175%0.747SS**  -112.2123.695.3-10.328.5000113
178T33Very low40.8Very low117 Ų117152.3 Ų152.372%0.71876%0.764SS**  trans-67.9125.9166.525.30000109.3V176V176-T178 HydrophobicContact CG1-CG2 4.07Å
179R36.8Very low39.3Very low234 Ų234156.7 Ų156.788%0.88379%0.787SS**  trans-111.2110.9162.9-97.4-173.3171.4-178.5-2.5109.5
180E33.4Very low37.8Very low169 Ų169154.4 Ų154.479%0.7980%0.799SS**  trans-65.9136.3176.6-55.6168.2172.100110.5
181F35.8Very low36.5Very low200 Ų200151.6 Ų151.688%0.87781%0.808SS**  trans-136.2131157.7-92.2-82000109.8
182K37Very low35.5Very low197 Ų197158.4 Ų158.486%0.85782%0.824SS**  trans-78.3143.5-162.4-74.6172.2171.31720113.6
183N28.4Very low34.6Very low167 Ų167159.5 Ų159.589%0.89384%0.835SS**  trans-75.3134.9165.2-68.4-29.9000111.7
184K40.8Very low33.7Very low204 Ų204154 Ų15489%0.88783%0.832SS**  trans-155.3145159.1-75.2-172.8176.4-174.70105.9
185S33.6Very low33.2Very low114 Ų114149.8 Ų149.880%0.79784%0.835SS**  cis-159.6142.9-17.9-179.30000106.1
186T32.3Very low33.1Very low134 Ų134150.2 Ų150.282%0.82284%0.838SS**  trans-73.6129.8176.639.40000112.3
187Q38.7Very low33.1Very low204 Ų204152.3 Ų152.395%0.95385%0.846SS**  trans-166.1146.2155-114.8175.10.700110.2
188G35.4Very low32.8Very low80 Ų80149.7 Ų149.783%0.82584%0.842SS**  trans110.177.7172.100000115.3
189L31.9Very low32.7Very low177 Ų177149 Ų14993%0.92784%0.843SS**  trans-75.1166.5165.2-76.7157.1000111.5
190S30.6Very low32.7Very low133 Ų133148.6 Ų148.693%0.9384%0.843SS**  trans94.5134.4166.4-1580000117
191G33.6Very low33Very low73 Ų73151.8 Ų151.875%0.75385%0.847SS**  trans126.147.3171.900000117.5C193G191-C193 PolarHBondContact O-N 3.15Å
192Y28.4Very low32.9Very low238 Ų238147.7 Ų147.793%0.93384%0.843SS**  trans-72.4113.7160.9-101.5-96000109.6
193C27.2Very low32.8Very low125 Ų125143.1 Ų143.185%0.84584%0.843SS**  trans-164.3145.8150.6-106.50000113.6G191G191-C193 PolarHBondContact O-N 3.15Å
194S27.5Very low33Very low118 Ų118141.3 Ų141.383%0.82584%0.838SS**  trans-47.8130.8-175.6-59.80000116.6
195C30.7Very low32.8Very low134 Ų134137.3 Ų137.391%0.90584%0.836SS**  trans-9888.7163-66.10000110.8
196S29.2Very low32.9Very low96 Ų96142.6 Ų142.667%0.67184%0.838SS**  trans-74.7155.4153.951.40000109.9
197N33.9Very low33Very low154 Ų154142.4 Ų142.482%0.82484%0.839SS**SBendtrans57.381.8170.3-60.9-11.6000116.8S199N197-S199 PolarHBondContact O-N 3.19Å
198G31.3Very low32.7Very low75 Ų75140.8 Ų140.877%0.77383%0.834SS**  trans-66.985.4171.800000114.1
199S29.9Very low32.8Very low104 Ų104143.1 Ų143.173%0.72783%0.832SS**  trans-84.2108.1168.6-177.10000110.8N197 R201N197-S199 PolarHBondContact O-N 3.19Å; S199-R201 PolarHBondContact O-N 3.45Å
200Y37.8Very low32.9Very low225 Ų225141.2 Ų141.288%0.88282%0.822SS**  trans-89.7102.6172.3-80.2-82.2000110.6
201R39.9Very low33Very low236 Ų236139.7 Ų139.789%0.89182%0.818SS**  trans-70.1143.4171.6-76.8-178170.1-1190.8111.6S199S199-R201 PolarHBondContact O-N 3.45Å
202S31.9Very low33.1Very low113 Ų113140.4 Ų140.479%0.7982%0.816SS**  trans-64.9138.8-179.5-47.50000113.4
203A35.6Very low33.6Very low102 Ų102134 Ų13484%0.84381%0.806SS**  trans-116.8104.1159.900000108.6
204T33Very low34Very low129 Ų129136.5 Ų136.579%0.79181%0.806SS**  trans-113.4111.7177.5-50.50000109
205S36.6Very low34.4Very low120 Ų120137.5 Ų137.584%0.83980%0.802SS**  trans-116.5117.6166.444.70000109.6
206R35.5Very low34.7Very low224 Ų224135.9 Ų135.985%0.84579%0.792SS**  trans-76170.3169.4-73.7179.2167.6-176.1-4.9110.1
207P34.6Very low35.1Very low130 Ų130137 Ų13784%0.84480%0.799SS**  -121.3165.3116.233.9-30.8000113.9
208M32.8Very low35Very low171 Ų171134 Ų13484%0.84280%0.797SS**  trans-79.4152.4-170.7-62158.161.700113.8
209V37.4Very low35.4Very low129 Ų129136 Ų13678%0.78280%0.796SS**  trans-142.2120.1139-1770000108.7
210N34.4Very low35.4Very low137 Ų137135.9 Ų135.973%0.73380%0.795SS**  trans34.6118.4150.6-53.5-9.1000119.7
211A32.9Very low35.4Very low101 Ų101130.3 Ų130.384%0.83579%0.789SS**  86.2137.385.900000112.9
212A35.1Very low35.1Very low87 Ų87124.6 Ų124.672%0.71979%0.785SS**  cis-159.2172.1-6.400000110.9
213S38.4Very low35.3Very low103 Ų103124.6 Ų124.672%0.7278%0.783SS**  trans80.1122.2152.8-51.20000121.4
214Q36.1Very low35Very low179 Ų179129.5 Ų129.584%0.83679%0.788SS**  trans65.6148.4143.3-65.1177.8-27.800120.3
215D36.2Very low35.1Very low139 Ų139131.2 Ų131.274%0.74379%0.787SS**  cis-160.4167-38.2-117-36.9000108.5
216S37.1Very low34.8Very low100 Ų100130 Ų13070%0.69978%0.784SS**  trans-19.3138.1172.139.80000118.3
217S36.8Very low34.6Very low118 Ų118124.4 Ų124.483%0.82578%0.775SS**  -173.4155.566.4-570000113.4
218A32.8Very low34.7Very low93 Ų93125 Ų12577%0.76978%0.776SS**  trans-116.7173163.800000108.5
219P39Very low35Very low116 Ų116122.7 Ų122.775%0.75377%0.772SS**  cis-152.6-179.842.141-17.6000119.6
220S30.6Very low34.9Very low102 Ų102121.6 Ų121.671%0.71377%0.769SS**  trans56.9115.5147.162.50000122.7
221S36.8Very low35Very low108 Ų108118.1 Ų118.176%0.75577%0.766SS**  170.8135.789.648.50000115.1
222S33Very low35Very low116 Ų116122.8 Ų122.881%0.81176%0.762SS**  trans63.2160.7165.979.70000120.1
223P37.3Very low35.2Very low113 Ų113126 Ų12673%0.73477%0.767SS**  cis-105.6171.2-39.837.8-28.5000111.4Q225P223-Q225 PolarHBondContact O-N 3.11Å
224E29.4Very low35.6Very low204 Ų204129.5 Ų129.595%0.95376%0.764SS**  trans-70.478.2-175.2-64.9-177.2129.200114.4A226E224-A226 PolarHBondContact O-N 3.45Å
225Q33.8Very low36.1Very low166 Ų166129.5 Ų129.578%0.77676%0.762SS**  trans-82.5105.8151.5-74.6-168.65.500108.8P223 T227P223-Q225 PolarHBondContact O-N 3.11Å; Q225-T227 PolarHBondContact O-N 2.79Å
226A30.3Very low36.5Very low94 Ų94129 Ų12978%0.77776%0.758SS**  trans-67.381.1170.400000110.4E224 V228E224-A226 PolarHBondContact O-N 3.45Å; A226-V228 PolarHBondContact O-N 3.1Å
227T31.1Very low36.6Very low107 Ų107129 Ų12966%0.65676%0.756SS**  trans-61.196.5169.544.50000109Q225 T229Q225-T227 PolarHBondContact O-N 2.79Å; T227-T229 VanDerWaalsContact C-N 3.32Å; T227-T229 PolarHBondContact O-N 3.14Å
228V38.5Very low36.7Very low141 Ų141131.9 Ų131.986%0.85576%0.761SS**  trans-64.894.7173.71790000108.4A226 S230A226-V228 PolarHBondContact O-N 3.1Å; V228-S230 VanDerWaalsContact C-N 3.32Å; V228-S230 PolarHBondContact O-N 3.42Å
229T37.7Very low37.2Very low124 Ų124133.1 Ų133.176%0.76175%0.751SS**  trans-71.781.9-175.933.30000111.6T227 G231T227-T229 VanDerWaalsContact C-N 3.32Å; T227-T229 PolarHBondContact O-N 3.14Å; T229-G231 VanDerWaalsContact C-N 3.34Å; T229-G231 PolarHBondContact O-N 3.31Å
230S34.9Very low37Very low105 Ų105132.3 Ų132.373%0.73475%0.748SS**  trans46.942.6142.6-1740000117.3V228 R232V228-S230 VanDerWaalsContact C-N 3.32Å; V228-S230 PolarHBondContact O-N 3.42Å; S230-R232 PolarHBondContact O-N 2.8Å
231G37.1Very low37.6Very low65 Ų65135.8 Ų135.867%0.6776%0.759SS**  trans-72.3102.3161.700000110.2T229 L233T229-G231 VanDerWaalsContact C-N 3.34Å; T229-G231 PolarHBondContact O-N 3.31Å; G231-L233 VanDerWaalsContact C-N 3.34Å; G231-L233 PolarHBondContact O-N 3.11Å
232R33.9Very low37.9Very low199 Ų199133.6 Ų133.675%0.75175%0.748SS**  trans-6281.1-177.5-85.5178.5162.2-165.7-0.1113.4S230 W234S230-R232 PolarHBondContact O-N 2.8Å; R232-W234 PolarHBondContact O-N 3.49Å
233L37.7Very low38.6Very low155 Ų155137 Ų13781%0.81275%0.751SS**  trans-86.2103.3166.3-79.7163.6000110G231 F235G231-L233 VanDerWaalsContact C-N 3.34Å; G231-L233 PolarHBondContact O-N 3.11Å; L233-F235 PolarHBondContact O-N 2.84Å
234W48Very low39.1Very low176 Ų176134 Ų13467%0.66773%0.732SS**  trans-82.514.2-178.7-75.293.6000114.5R232R232-W234 PolarHBondContact O-N 3.49Å
235F45.4Very low40.3Very low178 Ų178129 Ų12978%0.78172%0.718SS**  trans-115.6114.6-176.2-63.7-79.4000109.9L233L233-F235 PolarHBondContact O-N 2.84Å
236L46Very low41.1Very low129 Ų129127.1 Ų127.168%0.67571%0.712SS**  trans-64131.3167.1-72.1167000108.5L238L236-L238 PolarHBondContact O-N 3.01Å
237P38.4Very low42.1Very low101 Ų101123.5 Ų123.566%0.65668%0.681SS**  trans-56.9125.8166.7-21.132.8000109.1Q239P237-Q239 HydrophobicContact CB-CG 4.39Å; P237-Q239 PolarHBondContact O-N 3.39Å
238L40Very low43.3Very low178 Ų178123.7 Ų123.793%0.93268%0.677SS**  trans-73.785166.9-69.7172000107L236 S240L236-L238 PolarHBondContact O-N 3.01Å; L238-S240 PolarHBondContact O-N 2.96Å
239Q42.8Very low44.1Very low119 Ų119123.8 Ų123.856%0.55667%0.669SS**  trans-62.1121-179.2-80.5175.6-9.200110.3P237 S247P237-Q239 HydrophobicContact CB-CG 4.39Å; P237-Q239 PolarHBondContact O-N 3.39Å; Q239-S247 VanDerWaalsContact NE2-CB 3.28Å
240S35.2Very low45Very low98 Ų98120 Ų12069%0.68565%0.65SS**  trans-55.9159144.943.90000109.5L238 A242L238-S240 PolarHBondContact O-N 2.96Å; S240-A242 PolarHBondContact O-N 3.31Å
241N42.2Very low46.2Very low175 Ų175118.6 Ų118.694%0.93663%0.634SS**SBendtrans-71.449.3-172.6-60.5-20.1000114.1
242A42.1Very low47.5Very low63 Ų63119.2 Ų119.252%0.52162%0.622SS.*  trans-95.9106.8169.900000108.7S240 S244S240-A242 PolarHBondContact O-N 3.31Å; A242-S244 PolarHBondContact O-N 2.84Å
243E48.4Very low48.9Very low188 Ų188112.2 Ų112.288%0.87960%0.604SS**  trans-70.366.8172.2-63.5-175.2154.600110.5
244S49.1Very low50Low48 Ų48108.2 Ų108.234%0.33658%0.583SS.*  trans-71134.6173.2-179.50000109.6A242 L246 S247A242-S244 PolarHBondContact O-N 2.84Å; S244-L246 PolarHBondContact O-N 3.48Å; S244-L246 PolarHBondContact OG-N 3Å; S244-S247 WeakPolarHBondContact O-CB 3.46Å; S244-S247 PolarHBondContact O-N 3.43Å; S244-S247 PolarHBondContact O-OG 3.48Å
245P54.4Low50.9Low101 Ų101105.7 Ų105.766%0.65657%0.573SS**Hα-helixtrans-58.4-22.417622.4-33.1000113.3S247 Q249P245-S247 VanDerWaalsContact C-N 3.32Å; P245-S247 PolarHBondContact O-N 3.14Å; P245-Q249 PolarHBondContact O-N 2.61Å
246L49.9Very low52.1Low125 Ų125102.5 Ų102.565%0.65457%0.568SS**Hα-helixtrans-70.5-23.3173.5-63.2172000113.3S244 A250S244-L246 PolarHBondContact O-N 3.48Å; S244-L246 PolarHBondContact OG-N 3Å; L246-A250 WeakPolarHBondContact O-CB 3.23Å; L246-A250 PolarHBondContact O-N 2.75Å; L246-A250 VanDerWaalsContact O-N 3.16Å
247S52.1Low53.5Low19 Ų19106.4 Ų106.413%0.13357%0.574CS.*Hα-helixtrans-73.6-43.1175.474.70000111.5Q239 S244 P245 A250 D251Q239-S247 VanDerWaalsContact NE2-CB 3.28Å; S244-S247 WeakPolarHBondContact O-CB 3.46Å; S244-S247 PolarHBondContact O-N 3.43Å; S244-S247 PolarHBondContact O-OG 3.48Å; P245-S247 VanDerWaalsContact C-N 3.32Å; P245-S247 PolarHBondContact O-N 3.14Å; S247-A250 PolarHBondContact O-N 3.24Å; S247-D251 PolarHBondContact O-N 2.88Å
248L54.5Low55.1Low110 Ų110107.7 Ų107.758%0.57657%0.566SS**Hα-helixtrans-58.7-49174.9-74.9160.8000111A250 D251 D252L248-A250 VanDerWaalsContact C-N 3.3Å; L248-A250 PolarHBondContact O-N 3.44Å; L248-D251 PolarHBondContact O-N 3.11Å; L248-D252 PolarHBondContact O-N 3.42Å
249Q55.5Low57Low144 Ų144102.1 Ų102.167%0.67354%0.54SS*.Hα-helixtrans-64.8-33.8179.3-150.9177.840.100112.5P245 S253P245-Q249 PolarHBondContact O-N 2.61Å; Q249-S253 WeakPolarHBondContact O-CB 3.38Å; Q249-S253 PolarHBondContact O-N 3.37Å; Q249-S253 VanDerWaalsContact O-N 3.09Å
250A57.9Low58.8Low44 Ų44102.3 Ų102.336%0.36454%0.541SS..Hα-helixtrans-67.9-46173.300000112.2L246 S247 L248 D252 S253 L254L246-A250 WeakPolarHBondContact O-CB 3.23Å; L246-A250 PolarHBondContact O-N 2.75Å; L246-A250 VanDerWaalsContact O-N 3.16Å; S247-A250 PolarHBondContact O-N 3.24Å; L248-A250 VanDerWaalsContact C-N 3.3Å; L248-A250 PolarHBondContact O-N 3.44Å; A250-D252 PolarHBondContact O-N 3.4Å; A250-S253 PolarHBondContact O-N 2.8Å; A250-S253 PolarHBondContact O-OG 2.96Å; A250-L254 WeakPolarHBondContact O-CG 3.42Å; A250-L254 PolarHBondContact O-N 3.31Å
251D60.1Low60.8Low76 Ų76100.3 Ų100.341%0.40652%0.524SS..Hα-helixtrans-64.5-37.6178.5-95.3-4.1000112S247 L248 L254 R255S247-D251 PolarHBondContact O-N 2.88Å; L248-D251 PolarHBondContact O-N 3.11Å; D251-L254 PolarHBondContact O-N 2.7Å; D251-R255 WeakPolarHBondContact O-CG 3.3Å; D251-R255 PolarHBondContact O-N 3.41Å
252D63.4Low62.4Low77 Ų7793.1 Ų93.141%0.41249%0.487SS..Hα-helixtrans-70.4-33.6174.6-73.1-22.4000112.7L248 A250 L254 R255 T256L248-D252 PolarHBondContact O-N 3.42Å; A250-D252 PolarHBondContact O-N 3.4Å; D252-L254 VanDerWaalsContact C-N 3.28Å; D252-L254 PolarHBondContact O-N 3.2Å; D252-R255 PolarHBondContact O-N 2.66Å; D252-R255 WeakPolarHBondContact OD1-CD 3.39Å; D252-R255 IonicContact OD1-CZ 2.7Å; D252-R255 IonicContact OD1-NH1 2.87Å; D252-R255 PolarHBondContact OD1-NH1 2.94Å; D252-T256 WeakPolarHBondContact O-CG2 3.42Å; D252-T256 PolarHBondContact O-N 2.84Å; D252-T256 PolarHBondContact O-OG1 2.96Å
253S63.9Low64Low53 Ų5398 Ų9837%0.37149%0.491SS..Hα-helixtrans-65.2-30.817085.40000112.8Q249 A250 T256 R257Q249-S253 WeakPolarHBondContact O-CB 3.38Å; Q249-S253 PolarHBondContact O-N 3.37Å; Q249-S253 VanDerWaalsContact O-N 3.09Å; A250-S253 PolarHBondContact O-N 2.8Å; A250-S253 PolarHBondContact O-OG 2.96Å; S253-T256 WeakPolarHBondContact CA-OG1 3.47Å; S253-T256 PolarHBondContact O-OG1 3.08Å; S253-T256 VanDerWaalsContact O-OG1 3.1Å; S253-R257 VanDerWaalsContact O-CB 3.31Å; S253-R257 WeakPolarHBondContact O-CB 3.29Å; S253-R257 VanDerWaalsContact O-CG 3.31Å; S253-R257 WeakPolarHBondContact O-CG 3.36Å; S253-R257 PolarHBondContact O-N 3.38Å
254L61.7Low65.3Low70 Ų7092.8 Ų92.837%0.36648%0.476SS..Hα-helixtrans-78.4-37.2175.4-71.2172.9000112.1A250 D251 D252 R258 V262A250-L254 WeakPolarHBondContact O-CG 3.42Å; A250-L254 PolarHBondContact O-N 3.31Å; D251-L254 PolarHBondContact O-N 2.7Å; D252-L254 VanDerWaalsContact C-N 3.28Å; D252-L254 PolarHBondContact O-N 3.2Å; L254-R258 CarbonylContact O-C 3.44Å; L254-R258 WeakPolarHBondContact O-CA 3.39Å; L254-R258 PolarHBondContact O-N 2.87Å; L254-V262 HydrophobicContact CB-CG2 4.29Å
255R66.4Low66.5Low124 Ų12493.8 Ų93.847%0.46848%0.477SS..Hα-helixtrans-59.9-48.7173.3-79.6167.4166.7168.1-3.5111.9D251 D252 P259 V262D251-R255 WeakPolarHBondContact O-CG 3.3Å; D251-R255 PolarHBondContact O-N 3.41Å; D252-R255 PolarHBondContact O-N 2.66Å; D252-R255 WeakPolarHBondContact OD1-CD 3.39Å; D252-R255 IonicContact OD1-CZ 2.7Å; D252-R255 IonicContact OD1-NH1 2.87Å; D252-R255 PolarHBondContact OD1-NH1 2.94Å; R255-P259 WeakPolarHBondContact O-CD 3.21Å; R255-V262 HydrophobicContact CG-CB 4.44Å; R255-V262 HydrophobicContact CG-CG1 3.96Å; R255-V262 HydrophobicContact CG-CG2 4.11Å
256T69.3Low67.9Low111 Ų11193 Ų9368%0.68146%0.464SS*.Hα-helixtrans-66.9-45.5178.848.90000112.3D252 S253D252-T256 WeakPolarHBondContact O-CG2 3.42Å; D252-T256 PolarHBondContact O-N 2.84Å; D252-T256 PolarHBondContact O-OG1 2.96Å; S253-T256 WeakPolarHBondContact CA-OG1 3.47Å; S253-T256 PolarHBondContact O-OG1 3.08Å; S253-T256 VanDerWaalsContact O-OG1 3.1Å
257R75.2Confident69.3Low211 Ų21191.5 Ų91.580%0.79646%0.457SS*.Hα-helixtrans-79.5-29.4-176.9-68-178.9173.1-153.6-2.7114.7S253S253-R257 VanDerWaalsContact O-CB 3.31Å; S253-R257 WeakPolarHBondContact O-CB 3.29Å; S253-R257 VanDerWaalsContact O-CG 3.31Å; S253-R257 WeakPolarHBondContact O-CG 3.36Å; S253-R257 PolarHBondContact O-N 3.38Å
258R73.9Confident70.5Confident128 Ų12896 Ų9648%0.48347%0.471SS..  trans-146.462.6-172.9-65.8-170.1176.3174.8-1113.3L254 H260 V261 V262L254-R258 CarbonylContact O-C 3.44Å; L254-R258 WeakPolarHBondContact O-CA 3.39Å; L254-R258 PolarHBondContact O-N 2.87Å; R258-H260 PolarHBondContact O-N 3.46Å; R258-V261 HydrophobicContact CB-CB 4.06Å; R258-V261 HydrophobicContact CB-CG2 3.94Å; R258-V261 PolarHBondContact O-N 3.27Å; R258-V262 PolarHBondContact O-N 3.17Å
259P79.3Confident71.8Confident60 Ų6097.5 Ų97.539%0.3947%0.469SS..Hα-helixtrans-61.3-24.1-176.424.7-35.2000114.1R255 R263R255-P259 WeakPolarHBondContact O-CD 3.21Å; P259-R263 WeakPolarHBondContact O-CB 3.4Å; P259-R263 WeakPolarHBondContact O-CG 3.45Å; P259-R263 PolarHBondContact O-N 3.11Å; P259-R263 VanDerWaalsContact O-N 3.13Å; P259-R263 PolarHBondContact O-NE 3.41Å
260H79.4Confident73.1Confident123 Ų12393.9 Ų93.957%0.56945%0.453SS*.Hα-helixtrans-74.2-31.7174.961.8-93000113R258 S264R258-H260 PolarHBondContact O-N 3.46Å; H260-S264 VanDerWaalsContact O-CB 3.32Å; H260-S264 WeakPolarHBondContact O-CB 3.36Å; H260-S264 PolarHBondContact O-N 2.88Å; H260-S264 VanDerWaalsContact O-N 3.16Å
261V78Confident74Confident56 Ų5696 Ų9634%0.33945%0.451SS..Hα-helixtrans-72.6-44.5175.4179.20000109.7R258 S264 I265R258-V261 HydrophobicContact CB-CB 4.06Å; R258-V261 HydrophobicContact CB-CG2 3.94Å; R258-V261 PolarHBondContact O-N 3.27Å; V261-S264 WeakPolarHBondContact O-CB 3.28Å; V261-S264 PolarHBondContact O-N 3.35Å; V261-S264 VanDerWaalsContact O-N 3.16Å; V261-I265 HydrophobicContact CG1-CD1 3.82Å; V261-I265 HydrophobicContact CG1-CG1 4.39Å; V261-I265 WeakPolarHBondContact O-CG1 3.44Å; V261-I265 PolarHBondContact O-N 2.95Å
262V75.8Confident75Confident24 Ų2495 Ų9515%0.14545%0.446CS..Hα-helixtrans-60.2-51.5177.8179.60000110.7L254 R255 R258 S264 I265 E266L254-V262 HydrophobicContact CB-CG2 4.29Å; R255-V262 HydrophobicContact CG-CB 4.44Å; R255-V262 HydrophobicContact CG-CG1 3.96Å; R255-V262 HydrophobicContact CG-CG2 4.11Å; R258-V262 PolarHBondContact O-N 3.17Å; V262-S264 PolarHBondContact O-N 3.13Å; V262-I265 PolarHBondContact O-N 2.99Å; V262-E266 HydrophobicContact CG1-CG 4.23Å; V262-E266 WeakPolarHBondContact CG1-OE1 3.03Å; V262-E266 WeakPolarHBondContact O-CG 3.4Å; V262-E266 PolarHBondContact O-N 3.38Å
263R76.8Confident76Confident165 Ų16598.7 Ų98.762%0.62345%0.454SS*.Hα-helixtrans-55.6-35.6174.1-80.4-175.8-82.2155.8-14.9113.6P259 N267P259-R263 WeakPolarHBondContact O-CB 3.4Å; P259-R263 WeakPolarHBondContact O-CG 3.45Å; P259-R263 PolarHBondContact O-N 3.11Å; P259-R263 VanDerWaalsContact O-N 3.13Å; P259-R263 PolarHBondContact O-NE 3.41Å; R263-N267 WeakPolarHBondContact O-CB 3.49Å; R263-N267 PolarHBondContact O-N 3.13Å
264S75.6Confident76.9Confident80 Ų80101.5 Ų101.556%0.55946%0.459SS*.Hα-helixtrans-69.9-41.4176.4-173.70000112.3H260 V261 V262 R268H260-S264 VanDerWaalsContact O-CB 3.32Å; H260-S264 WeakPolarHBondContact O-CB 3.36Å; H260-S264 PolarHBondContact O-N 2.88Å; H260-S264 VanDerWaalsContact O-N 3.16Å; V261-S264 WeakPolarHBondContact O-CB 3.28Å; V261-S264 PolarHBondContact O-N 3.35Å; V261-S264 VanDerWaalsContact O-N 3.16Å; V262-S264 PolarHBondContact O-N 3.13Å; S264-R268 WeakPolarHBondContact O-CB 3.4Å; S264-R268 PolarHBondContact O-N 3.36Å
265I74.2Confident77.7Confident68 Ų6898.7 Ų98.735%0.34945%0.445SS..Hα-helixtrans-66-44.1174.9-68.1168.8000110.6V261 V262 R268 R269V261-I265 HydrophobicContact CG1-CD1 3.82Å; V261-I265 HydrophobicContact CG1-CG1 4.39Å; V261-I265 WeakPolarHBondContact O-CG1 3.44Å; V261-I265 PolarHBondContact O-N 2.95Å; V262-I265 PolarHBondContact O-N 2.99Å; I265-R268 PolarHBondContact O-N 3.47Å; I265-R269 HydrophobicContact CG2-CG 4.4Å; I265-R269 WeakPolarHBondContact O-CB 3.5Å; I265-R269 WeakPolarHBondContact O-CG 3.4Å; I265-R269 PolarHBondContact O-N 2.83Å
266E82.4Confident78.3Confident84 Ų84101.7 Ų101.739%0.39346%0.457SS..Hα-helixtrans-63.2-47.9177.7-71.8169.5160.700111.4V262 R268 R269 E270V262-E266 HydrophobicContact CG1-CG 4.23Å; V262-E266 WeakPolarHBondContact CG1-OE1 3.03Å; V262-E266 WeakPolarHBondContact O-CG 3.4Å; V262-E266 PolarHBondContact O-N 3.38Å; E266-R268 VanDerWaalsContact C-N 3.31Å; E266-R268 PolarHBondContact O-N 3.49Å; E266-R269 PolarHBondContact O-N 2.95Å; E266-E270 WeakPolarHBondContact O-CB 3.48Å; E266-E270 PolarHBondContact O-N 2.93Å
267N79.8Confident79Confident95 Ų95100.2 Ų100.251%0.50845%0.451SS..Hα-helixtrans-60.4-39.1174.6-172.1-17.5000111.7R263 E270 R271R263-N267 WeakPolarHBondContact O-CB 3.49Å; R263-N267 PolarHBondContact O-N 3.13Å; N267-E270 PolarHBondContact O-N 3.43Å; N267-R271 WeakPolarHBondContact O-CB 3.34Å; N267-R271 PolarHBondContact O-N 3.45Å
268R76.7Confident79.3Confident112 Ų11291.8 Ų91.842%0.42342%0.419SS..Hα-helixtrans-66.5-45173.7-169.9177.2-175.1-142.8-3.8112.2S264 I265 E266 E270 R271 L272 D320S264-R268 WeakPolarHBondContact O-CB 3.4Å; S264-R268 PolarHBondContact O-N 3.36Å; I265-R268 PolarHBondContact O-N 3.47Å; E266-R268 VanDerWaalsContact C-N 3.31Å; E266-R268 PolarHBondContact O-N 3.49Å; R268-E270 VanDerWaalsContact C-N 3.27Å; R268-E270 PolarHBondContact O-N 2.87Å; R268-R271 PolarHBondContact O-N 2.94Å; R268-L272 HydrophobicContact CG-CD1 4.19Å; R268-L272 WeakPolarHBondContact O-CB 3.44Å; R268-L272 VanDerWaalsContact O-CG 3.28Å; R268-L272 WeakPolarHBondContact O-CG 3.47Å; R268-L272 PolarHBondContact O-N 3.38Å; R268-D320 IonicContact CZ-OD1 3.91Å; R268-D320 IonicContact NE-OD1 2.67Å; R268-D320 PolarHBondContact NE-OD1 3.2Å; R268-D320 IonicContact NH2-OD1 2.94Å; R268-D320 PolarHBondContact NH2-OD1 3.26Å
269R82.5Confident79.6Confident142 Ų14292.9 Ų92.954%0.53642%0.423SS..Hα-helixtrans-56.5-44.2174.4-77.6175.5173.1178.1-1.8110.2I265 E266 L272 R273I265-R269 HydrophobicContact CG2-CG 4.4Å; I265-R269 WeakPolarHBondContact O-CB 3.5Å; I265-R269 WeakPolarHBondContact O-CG 3.4Å; I265-R269 PolarHBondContact O-N 2.83Å; E266-R269 PolarHBondContact O-N 2.95Å; R269-L272 PolarHBondContact O-N 2.99Å; R269-R273 WeakPolarHBondContact O-CG 3.43Å; R269-R273 PolarHBondContact O-N 3Å
270E82.2Confident79.8Confident69 Ų6993.8 Ų93.832%0.32243%0.431SS..Hα-helixtrans-68.7-41.4-179.8-17050.2-14400112.9E266 N267 R268 L272 R273 K274E266-E270 WeakPolarHBondContact O-CB 3.48Å; E266-E270 PolarHBondContact O-N 2.93Å; N267-E270 PolarHBondContact O-N 3.43Å; R268-E270 VanDerWaalsContact C-N 3.27Å; R268-E270 PolarHBondContact O-N 2.87Å; E270-L272 VanDerWaalsContact C-N 3.28Å; E270-L272 PolarHBondContact O-N 3.37Å; E270-R273 PolarHBondContact O-N 3.01Å; E270-R273 IonicContact OE2-CZ 2.66Å; E270-R273 IonicContact OE2-NH1 2.94Å; E270-R273 PolarHBondContact OE2-NH1 3.26Å; E270-K274 WeakPolarHBondContact O-CG 3.44Å; E270-K274 PolarHBondContact O-N 3.18Å; E270-K274 WeakPolarHBondContact OE1-CE 3.43Å
271R77.9Confident80.1Confident87 Ų8790.9 Ų90.933%0.32842%0.419SS..Hα-helixtrans-59.6-39.2171.2-169.7-178.9-58.1-160-1.2112.1N267 R268 S275 F316N267-R271 WeakPolarHBondContact O-CB 3.34Å; N267-R271 PolarHBondContact O-N 3.45Å; R268-R271 PolarHBondContact O-N 2.94Å; R271-S275 WeakPolarHBondContact O-CB 3.44Å; R271-S275 PolarHBondContact O-N 3.16Å; R271-S275 PolarHBondContact O-OG 3.45Å; R271-F316 HydrophobicContact CG-CD1 4.06Å; R271-F316 HydrophobicContact CG-CE1 4.48Å
272L80Confident80.5Confident57 Ų5790.6 Ų90.630%0.29842%0.415SS..Hα-helixtrans-70.7-33.9176-70.5170.5000112.7R268 R269 E270 S275 R276R268-L272 HydrophobicContact CG-CD1 4.19Å; R268-L272 WeakPolarHBondContact O-CB 3.44Å; R268-L272 VanDerWaalsContact O-CG 3.28Å; R268-L272 WeakPolarHBondContact O-CG 3.47Å; R268-L272 PolarHBondContact O-N 3.38Å; R269-L272 PolarHBondContact O-N 2.99Å; E270-L272 VanDerWaalsContact C-N 3.28Å; E270-L272 PolarHBondContact O-N 3.37Å; L272-S275 PolarHBondContact O-OG 2.98Å; L272-R276 WeakPolarHBondContact O-CB 3.33Å; L272-R276 VanDerWaalsContact O-CG 3.23Å; L272-R276 WeakPolarHBondContact O-CG 3.43Å; L272-R276 PolarHBondContact O-N 3.27Å
273R84.7Confident80.9Confident154 Ų15492.1 Ų92.158%0.58143%0.427SS*.Hα-helixtrans-63.9-49.6170.3-72.4-177.3-171.2129.4-6.8111R269 E270 S275 R276 S277R269-R273 WeakPolarHBondContact O-CG 3.43Å; R269-R273 PolarHBondContact O-N 3Å; E270-R273 PolarHBondContact O-N 3.01Å; E270-R273 IonicContact OE2-CZ 2.66Å; E270-R273 IonicContact OE2-NH1 2.94Å; E270-R273 PolarHBondContact OE2-NH1 3.26Å; R273-S275 VanDerWaalsContact C-N 3.34Å; R273-S275 PolarHBondContact O-N 3.28Å; R273-R276 PolarHBondContact O-N 3.13Å; R273-S277 WeakPolarHBondContact O-CB 3.4Å; R273-S277 PolarHBondContact O-N 3.16Å
274K83.3Confident81.4Confident111 Ų11186.3 Ų86.348%0.48341%0.414SS..Hα-helixtrans-59.1-42.2177.4-70.5177.7179.8179.90112E270 S277 Y278 F316E270-K274 WeakPolarHBondContact O-CG 3.44Å; E270-K274 PolarHBondContact O-N 3.18Å; E270-K274 WeakPolarHBondContact OE1-CE 3.43Å; K274-S277 PolarHBondContact O-N 3.27Å; K274-Y278 VanDerWaalsContact O-CB 3.3Å; K274-Y278 WeakPolarHBondContact O-CB 3.48Å; K274-Y278 PolarHBondContact O-N 3.44Å; K274-F316 HydrophobicContact CB-CD1 4.3Å; K274-F316 HydrophobicContact CB-CE1 3.54Å; K274-F316 HydrophobicContact CB-CZ 3.98Å; K274-F316 HydrophobicContact CD-CE1 4.41Å
275S77.4Confident82Confident11 Ų1186.8 Ų86.88%0.07741%0.406CS..Hα-helixtrans-69.6-36.5177.576.70000113.4R271 L272 R273 R279R271-S275 WeakPolarHBondContact O-CB 3.44Å; R271-S275 PolarHBondContact O-N 3.16Å; R271-S275 PolarHBondContact O-OG 3.45Å; L272-S275 PolarHBondContact O-OG 2.98Å; R273-S275 VanDerWaalsContact C-N 3.34Å; R273-S275 PolarHBondContact O-N 3.28Å; S275-R279 WeakPolarHBondContact O-CB 3.32Å; S275-R279 VanDerWaalsContact O-CG 3.28Å; S275-R279 WeakPolarHBondContact O-CG 3.41Å; S275-R279 PolarHBondContact O-N 3.07Å
276R81.1Confident82.6Confident188 Ų18886.6 Ų86.671%0.70941%0.405SS*.Hα-helixtrans-66-46.4172.5-75.1174.9-178.7-163.61.1111.9L272 R273 R279 S280L272-R276 WeakPolarHBondContact O-CB 3.33Å; L272-R276 VanDerWaalsContact O-CG 3.23Å; L272-R276 WeakPolarHBondContact O-CG 3.43Å; L272-R276 PolarHBondContact O-N 3.27Å; R273-R276 PolarHBondContact O-N 3.13Å; R276-R279 PolarHBondContact O-N 3.34Å; R276-S280 PolarHBondContact O-N 3.04Å
277S83.2Confident82.8Confident79 Ų7989.3 Ų89.355%0.55241%0.412SS*.Hα-helixtrans-58.5-49.2175.7176.40000111.2R273 K274 R279 S280 M281R273-S277 WeakPolarHBondContact O-CB 3.4Å; R273-S277 PolarHBondContact O-N 3.16Å; K274-S277 PolarHBondContact O-N 3.27Å; S277-R279 PolarHBondContact O-N 2.84Å; S277-S280 WeakPolarHBondContact O-CB 3.36Å; S277-S280 PolarHBondContact O-N 3.01Å; S277-S280 VanDerWaalsContact O-N 3.15Å; S277-M281 PolarHBondContact O-N 2.93Å
278Y82.2Confident83.2Confident34 Ų3489.2 Ų89.213%0.13341%0.408CS..Hα-helixtrans-57.4-45.9175.7176-86000112.5K274 S280 M281 L282 P311 P313K274-Y278 VanDerWaalsContact O-CB 3.3Å; K274-Y278 WeakPolarHBondContact O-CB 3.48Å; K274-Y278 PolarHBondContact O-N 3.44Å; Y278-S280 VanDerWaalsContact C-N 3.33Å; Y278-S280 PolarHBondContact O-N 3.33Å; Y278-M281 HydrophobicContact CD2-CE 3.64Å; Y278-M281 HydrophobicContact CE2-CE 3.72Å; Y278-M281 HydrophobicContact CG-CE 4.49Å; Y278-M281 PolarHBondContact O-N 3.07Å; Y278-L282 HydrophobicContact CE1-CB 4.19Å; Y278-L282 HydrophobicContact CE1-CD1 3.99Å; Y278-L282 WeakPolarHBondContact O-CB 3.48Å; Y278-L282 PolarHBondContact O-N 3.06Å; Y278-L282 WeakPolarHBondContact OH-CD1 3.46Å; Y278-P311 HydrophobicContact CE2-CB 4.4Å; Y278-P311 VanDerWaalsContact CE2-O 3.31Å; Y278-P311 WeakPolarHBondContact CE2-O 3.38Å; Y278-P311 VanDerWaalsContact CZ-O 3.24Å; Y278-P311 PolarHBondContact OH-O 3.16Å; Y278-P313 HydrophobicContact CD1-CB 4.24Å; Y278-P313 HydrophobicContact CE1-CB 3.73Å; Y278-P313 HydrophobicContact CE1-CG 4.45Å
279R80.2Confident83.6Confident152 Ų15285.3 Ų85.357%0.57440%0.395SS*.Hα-helixtrans-62.4-38.7176.6-75.8174.7-179.3-1692112.5S275 R276 S277 S283S275-R279 WeakPolarHBondContact O-CB 3.32Å; S275-R279 VanDerWaalsContact O-CG 3.28Å; S275-R279 WeakPolarHBondContact O-CG 3.41Å; S275-R279 PolarHBondContact O-N 3.07Å; R276-R279 PolarHBondContact O-N 3.34Å; S277-R279 PolarHBondContact O-N 2.84Å; R279-S283 VanDerWaalsContact O-CB 3.31Å; R279-S283 WeakPolarHBondContact O-CB 3.37Å; R279-S283 PolarHBondContact O-N 3.44Å
280S81.6Confident83.7Confident79 Ų7981.3 Ų81.355%0.55239%0.392SS*.Hα-helixtrans-63.5-48.7175.7-167.90000111.2R276 S277 Y278 L282 S283 A284R276-S280 PolarHBondContact O-N 3.04Å; S277-S280 WeakPolarHBondContact O-CB 3.36Å; S277-S280 PolarHBondContact O-N 3.01Å; S277-S280 VanDerWaalsContact O-N 3.15Å; Y278-S280 VanDerWaalsContact C-N 3.33Å; Y278-S280 PolarHBondContact O-N 3.33Å; S280-L282 PolarHBondContact O-N 3.39Å; S280-S283 PolarHBondContact O-N 2.91Å; S280-A284 WeakPolarHBondContact O-CB 3.27Å; S280-A284 PolarHBondContact O-N 2.93Å
281M87.7Confident84Confident62 Ų6283 Ų8331%0.30540%0.4SS..Hα-helixtrans-60.6-45.4177177.4-85.8-64.900112.3S277 Y278 A284 K285S277-M281 PolarHBondContact O-N 2.93Å; Y278-M281 HydrophobicContact CD2-CE 3.64Å; Y278-M281 HydrophobicContact CE2-CE 3.72Å; Y278-M281 HydrophobicContact CG-CE 4.49Å; Y278-M281 PolarHBondContact O-N 3.07Å; M281-A284 PolarHBondContact O-N 3.22Å; M281-K285 WeakPolarHBondContact O-CG 3.39Å; M281-K285 PolarHBondContact O-N 2.88Å; M281-K285 HydrophobicContact SD-CD 3.75Å; M281-K285 HydrophobicContact SD-CG 4.33Å
282L85.5Confident84.5Confident50 Ų5081.4 Ų81.426%0.26240%0.396SS..Hα-helixtrans-63.6-41.3176.1178134.2000111.6Y278 S280 K285 I286 L310Y278-L282 HydrophobicContact CE1-CB 4.19Å; Y278-L282 HydrophobicContact CE1-CD1 3.99Å; Y278-L282 WeakPolarHBondContact O-CB 3.48Å; Y278-L282 PolarHBondContact O-N 3.06Å; Y278-L282 WeakPolarHBondContact OH-CD1 3.46Å; S280-L282 PolarHBondContact O-N 3.39Å; L282-K285 PolarHBondContact O-N 3.28Å; L282-I286 HydrophobicContact CD2-CD1 3.52Å; L282-I286 HydrophobicContact CG-CD1 3.88Å; L282-I286 WeakPolarHBondContact O-CB 3.37Å; L282-I286 VanDerWaalsContact O-CG1 3.28Å; L282-I286 WeakPolarHBondContact O-CG1 3.41Å; L282-I286 PolarHBondContact O-N 2.94Å; L282-L310 HydrophobicContact CD1-CD1 4.04Å; L282-L310 HydrophobicContact CG-CD1 4.19Å
283S84.5Confident84.8Confident56 Ų5681.1 Ų81.139%0.39240%0.397SS..Hα-helixtrans-65.4-37175176.80000113R279 S280 R287R279-S283 VanDerWaalsContact O-CB 3.31Å; R279-S283 WeakPolarHBondContact O-CB 3.37Å; R279-S283 PolarHBondContact O-N 3.44Å; S280-S283 PolarHBondContact O-N 2.91Å; S283-R287 WeakPolarHBondContact O-CG 3.34Å; S283-R287 PolarHBondContact O-N 2.97Å; S283-R287 VanDerWaalsContact O-N 3.13Å; S283-R287 PolarHBondContact O-NE 3.28Å
284A87.2Confident84.8Confident43 Ų4378 Ų7836%0.35540%0.404SS..Hα-helixtrans-65.8-47.3174.200000111.4S280 M281 I286 R287 Q288S280-A284 WeakPolarHBondContact O-CB 3.27Å; S280-A284 PolarHBondContact O-N 2.93Å; M281-A284 PolarHBondContact O-N 3.22Å; A284-I286 PolarHBondContact O-N 3.47Å; A284-R287 PolarHBondContact O-N 3.47Å; A284-Q288 PolarHBondContact O-N 3.02Å
285K88.4Confident85.2Confident89 Ų8978.8 Ų78.839%0.38741%0.412SS..Hα-helixtrans-63-41.5177.6-71.9-170.7178.7-171.70112.8M281 L282 R287 Q288 Q289 L310M281-K285 WeakPolarHBondContact O-CG 3.39Å; M281-K285 PolarHBondContact O-N 2.88Å; M281-K285 HydrophobicContact SD-CD 3.75Å; M281-K285 HydrophobicContact SD-CG 4.33Å; L282-K285 PolarHBondContact O-N 3.28Å; K285-R287 VanDerWaalsContact C-N 3.33Å; K285-R287 PolarHBondContact O-N 2.95Å; K285-Q288 PolarHBondContact O-N 3.29Å; K285-Q289 VanDerWaalsContact O-CG 3.31Å; K285-Q289 WeakPolarHBondContact O-CG 3.31Å; K285-Q289 PolarHBondContact O-N 2.94Å; K285-L310 HydrophobicContact CB-CD1 4.32Å; K285-L310 HydrophobicContact CD-CD2 3.5Å
286I85.3Confident85.5Confident65 Ų6581.3 Ų81.333%0.33344%0.44SS..Hα-helixtrans-62.7-40.3175.8-70.1168.5000111.1L282 A284 Q289 A290 I307L282-I286 HydrophobicContact CD2-CD1 3.52Å; L282-I286 HydrophobicContact CG-CD1 3.88Å; L282-I286 WeakPolarHBondContact O-CB 3.37Å; L282-I286 VanDerWaalsContact O-CG1 3.28Å; L282-I286 WeakPolarHBondContact O-CG1 3.41Å; L282-I286 PolarHBondContact O-N 2.94Å; A284-I286 PolarHBondContact O-N 3.47Å; I286-Q289 PolarHBondContact O-N 2.85Å; I286-A290 WeakPolarHBondContact O-CB 3.46Å; I286-A290 PolarHBondContact O-N 3.24Å; I286-I307 HydrophobicContact CD1-CG2 4.4Å; I286-I307 HydrophobicContact CG1-CD1 4.09Å; I286-I307 HydrophobicContact CG1-CG1 4.06Å; I286-I307 HydrophobicContact CG1-CG2 4.17Å; I286-I307 HydrophobicContact CG2-CD1 4.36Å
287R87.6Confident85.8Confident141 Ų14177.9 Ų77.953%0.53244%0.435SS..Hα-helixtrans-62.7-48.3174.2-78.2-176.3-71.1150.9-3.4111.9S283 A284 K285 Q289 A290 E291S283-R287 WeakPolarHBondContact O-CG 3.34Å; S283-R287 PolarHBondContact O-N 2.97Å; S283-R287 VanDerWaalsContact O-N 3.13Å; S283-R287 PolarHBondContact O-NE 3.28Å; A284-R287 PolarHBondContact O-N 3.47Å; K285-R287 VanDerWaalsContact C-N 3.33Å; K285-R287 PolarHBondContact O-N 2.95Å; R287-Q289 VanDerWaalsContact C-N 3.31Å; R287-Q289 PolarHBondContact O-N 3.02Å; R287-A290 CarbonylContact O-C 3.54Å; R287-A290 WeakPolarHBondContact O-CB 3.3Å; R287-A290 PolarHBondContact O-N 3.32Å; R287-E291 WeakPolarHBondContact O-CG 3.32Å; R287-E291 PolarHBondContact O-N 3.28Å
288Q88.5Confident86Confident93 Ų9375.4 Ų75.444%0.43542%0.416SS..Hα-helixtrans-56.7-43.2176.2-174.1-176.58.400112.2A284 K285 E291 H292A284-Q288 PolarHBondContact O-N 3.02Å; K285-Q288 PolarHBondContact O-N 3.29Å; Q288-E291 PolarHBondContact O-N 3.45Å; Q288-H292 WeakPolarHBondContact CG-NE2 3.41Å; Q288-H292 PolarHBondContact NE2-NE2 2.84Å; Q288-H292 WeakPolarHBondContact O-CB 3.49Å; Q288-H292 PolarHBondContact O-CD2 3.44Å; Q288-H292 VanDerWaalsContact O-CG 3.31Å; Q288-H292 PolarHBondContact O-N 3.01Å
289Q85.5Confident86.1Confident30 Ų3076.9 Ų76.914%0.1443%0.431CS..Hα-helixtrans-66.6-38.2176.4-64.8-62.4-58.300111.9K285 I286 R287 H292 V293 A303 T306 I307K285-Q289 VanDerWaalsContact O-CG 3.31Å; K285-Q289 WeakPolarHBondContact O-CG 3.31Å; K285-Q289 PolarHBondContact O-N 2.94Å; I286-Q289 PolarHBondContact O-N 2.85Å; R287-Q289 VanDerWaalsContact C-N 3.31Å; R287-Q289 PolarHBondContact O-N 3.02Å; Q289-H292 PolarHBondContact O-N 2.8Å; Q289-V293 WeakPolarHBondContact O-CG2 3.4Å; Q289-V293 PolarHBondContact O-N 2.72Å; Q289-A303 HydrophobicContact CB-CB 4.25Å; Q289-T306 PolarHBondContact OE1-OG1 3.06Å; Q289-I307 HydrophobicContact CB-CD1 4.25Å; Q289-I307 HydrophobicContact CB-CG1 4.39Å; Q289-I307 HydrophobicContact CG-CG1 4.26Å
290A83.5Confident86.3Confident58 Ų5874.9 Ų74.948%0.47943%0.428SS..Hα-helixtrans-66-37.9174.400000112.5I286 R287 V293 A294I286-A290 WeakPolarHBondContact O-CB 3.46Å; I286-A290 PolarHBondContact O-N 3.24Å; R287-A290 CarbonylContact O-C 3.54Å; R287-A290 WeakPolarHBondContact O-CB 3.3Å; R287-A290 PolarHBondContact O-N 3.32Å; A290-V293 PolarHBondContact O-N 3.35Å; A290-A294 WeakPolarHBondContact O-CB 3.43Å; A290-A294 PolarHBondContact O-N 3.26Å
291E88.7Confident86.5Confident105 Ų10578.8 Ų78.849%0.49144%0.435SS..Hα-helixtrans-64.6-45.1173.2-72.4157.9-159.900111R287 Q288 V293 A294 L295R287-E291 WeakPolarHBondContact O-CG 3.32Å; R287-E291 PolarHBondContact O-N 3.28Å; Q288-E291 PolarHBondContact O-N 3.45Å; E291-V293 VanDerWaalsContact C-N 3.33Å; E291-V293 PolarHBondContact O-N 2.9Å; E291-A294 PolarHBondContact O-N 3.3Å; E291-L295 WeakPolarHBondContact O-CB 3.42Å; E291-L295 WeakPolarHBondContact O-CG 3.49Å; E291-L295 PolarHBondContact O-N 3.27Å
292H88.7Confident86.3Confident53 Ų5380.5 Ų80.525%0.24544%0.442CS..Hα-helixtrans-62.5-37175.6-72-156000112.4Q288 Q289 G296 L297 I298Q288-H292 WeakPolarHBondContact CG-NE2 3.41Å; Q288-H292 PolarHBondContact NE2-NE2 2.84Å; Q288-H292 WeakPolarHBondContact O-CB 3.49Å; Q288-H292 PolarHBondContact O-CD2 3.44Å; Q288-H292 VanDerWaalsContact O-CG 3.31Å; Q288-H292 PolarHBondContact O-N 3.01Å; Q289-H292 PolarHBondContact O-N 2.8Å; H292-G296 PolarHBondContact O-N 2.94Å; H292-L297 HydrophobicContact CB-CB 4.4Å; H292-L297 PolarHBondContact O-N 3.45Å; H292-I298 HydrophobicContact CB-CD1 3.55Å; H292-I298 HydrophobicContact CB-CG1 3.72Å; H292-I298 HydrophobicContact CB-CG2 4.46Å
293V86.3Confident86Confident51 Ų5178.4 Ų78.431%0.30943%0.432SS..Hα-helixtrans-67.6-42.9172.5171.40000111.1Q289 A290 E291 L295 G296 I298 A303Q289-V293 WeakPolarHBondContact O-CG2 3.4Å; Q289-V293 PolarHBondContact O-N 2.72Å; A290-V293 PolarHBondContact O-N 3.35Å; E291-V293 VanDerWaalsContact C-N 3.33Å; E291-V293 PolarHBondContact O-N 2.9Å; V293-L295 VanDerWaalsContact C-N 3.3Å; V293-L295 PolarHBondContact O-N 2.93Å; V293-G296 PolarHBondContact O-N 3.17Å; V293-I298 HydrophobicContact CG2-CD1 4.14Å; V293-I298 HydrophobicContact CG2-CG1 3.75Å; V293-A303 HydrophobicContact CG2-CB 3.43Å; V293-A303 VanDerWaalsContact CG2-CB 3.43Å
294A84.6Confident85.8Confident88 Ų8882.9 Ų82.973%0.72744%0.44SS*.Hα-helixtrans-65.2-32.7178.900000112.9A290 E291 G296A290-A294 WeakPolarHBondContact O-CB 3.43Å; A290-A294 PolarHBondContact O-N 3.26Å; E291-A294 PolarHBondContact O-N 3.3Å; A294-G296 VanDerWaalsContact C-N 3.28Å
295L90.8Very high85.6Confident127 Ų12785.4 Ų85.467%0.66545%0.448SS*.THydrogen-bonded Turntrans-80.6-2.9172.6-66.7173.2000113.5E291 V293 L297E291-L295 WeakPolarHBondContact O-CB 3.42Å; E291-L295 WeakPolarHBondContact O-CG 3.49Å; E291-L295 PolarHBondContact O-N 3.27Å; V293-L295 VanDerWaalsContact C-N 3.3Å; V293-L295 PolarHBondContact O-N 2.93Å; L295-L297 HydrophobicContact CB-CD1 4.03Å; L295-L297 HydrophobicContact CB-CG 3.86Å; L295-L297 HydrophobicContact CD1-CD1 4.03Å; L295-L297 PolarHBondContact O-N 3.03Å
296G85.3Confident85.2Confident64 Ų6483.4 Ų83.466%0.6644%0.443SS*.THydrogen-bonded Turntrans6914.7-177.900000114.9H292 V293 A294H292-G296 PolarHBondContact O-N 2.94Å; V293-G296 PolarHBondContact O-N 3.17Å; A294-G296 VanDerWaalsContact C-N 3.28Å
297L87.6Confident84.9Confident116 Ų11683 Ų8361%0.60744%0.441SS*.SBendtrans-75.4-27.2-177.8-62.9175.1000113H292 L295H292-L297 HydrophobicContact CB-CB 4.4Å; H292-L297 PolarHBondContact O-N 3.45Å; L295-L297 HydrophobicContact CB-CD1 4.03Å; L295-L297 HydrophobicContact CB-CG 3.86Å; L295-L297 HydrophobicContact CD1-CD1 4.03Å; L295-L297 PolarHBondContact O-N 3.03Å
298I86.3Confident84.3Confident28 Ų2881.5 Ų81.514%0.14444%0.443CS..SBendtrans-137.2154.5178.266.1-177.8000110.4H292 V293 E302 A303H292-I298 HydrophobicContact CB-CD1 3.55Å; H292-I298 HydrophobicContact CB-CG1 3.72Å; H292-I298 HydrophobicContact CB-CG2 4.46Å; V293-I298 HydrophobicContact CG2-CD1 4.14Å; V293-I298 HydrophobicContact CG2-CG1 3.75Å; I298-E302 HydrophobicContact CB-CG 4.37Å; I298-A303 HydrophobicContact CD1-CB 3.74Å; I298-A303 HydrophobicContact CG1-CB 4.34Å
299S84.8Confident83.9Confident65 Ų6581.6 Ų81.646%0.45545%0.454SS..  trans-73.6152.7172.670.50000111.7K301 E302 A303S299-K301 PolarHBondContact O-N 2.99Å; S299-E302 PolarHBondContact N-OE2 3.09Å; S299-E302 WeakPolarHBondContact O-CB 3.39Å; S299-E302 PolarHBondContact O-N 3.04Å; S299-E302 VanDerWaalsContact O-N 3.09Å; S299-E302 VanDerWaalsContact OG-CB 3.24Å; S299-E302 WeakPolarHBondContact OG-CB 3.46Å; S299-E302 PolarHBondContact OG-N 3.07Å; S299-E302 VanDerWaalsContact OG-N 3.15Å; S299-A303 PolarHBondContact O-N 3.25Å
300E84.1Confident83.5Confident110 Ų11081.3 Ų81.351%0.51445%0.453SS..Hα-helixtrans-59.9-33.7175.3-160.2-157.5150.400112E302 A303 R304E300-E302 VanDerWaalsContact C-N 3.35Å; E300-A303 PolarHBondContact O-N 3.42Å; E300-R304 WeakPolarHBondContact O-CB 3.38Å; E300-R304 VanDerWaalsContact O-CG 3.27Å; E300-R304 WeakPolarHBondContact O-CG 3.34Å; E300-R304 PolarHBondContact O-N 2.95Å; E300-R304 IonicContact OE1-CZ 3.12Å; E300-R304 IonicContact OE1-NE 2.8Å; E300-R304 PolarHBondContact OE1-NE 3.48Å; E300-R304 IonicContact OE1-NH2 2.66Å; E300-R304 PolarHBondContact OE1-NH2 3.2Å
301K85.4Confident83Confident160 Ų16082.2 Ų82.270%0.69646%0.455SS*.Hα-helixtrans-64.1-40176-173174.7-178.3175.80111.9S299 N305S299-K301 PolarHBondContact O-N 2.99Å; K301-N305 VanDerWaalsContact O-CG 3.25Å; K301-N305 PolarHBondContact O-N 2.86Å; K301-N305 PolarHBondContact O-ND2 2.71Å
302E83.7Confident82Confident98 Ų9885.2 Ų85.246%0.45846%0.461SS..Hα-helixtrans-67.4-47.1174.9-177173.9-165.600111.3I298 S299 E300 R304 N305 T306I298-E302 HydrophobicContact CB-CG 4.37Å; S299-E302 PolarHBondContact N-OE2 3.09Å; S299-E302 WeakPolarHBondContact O-CB 3.39Å; S299-E302 PolarHBondContact O-N 3.04Å; S299-E302 VanDerWaalsContact O-N 3.09Å; S299-E302 VanDerWaalsContact OG-CB 3.24Å; S299-E302 WeakPolarHBondContact OG-CB 3.46Å; S299-E302 PolarHBondContact OG-N 3.07Å; S299-E302 VanDerWaalsContact OG-N 3.15Å; E300-E302 VanDerWaalsContact C-N 3.35Å; E302-R304 VanDerWaalsContact C-N 3.29Å; E302-R304 PolarHBondContact O-N 3.24Å; E302-N305 WeakPolarHBondContact O-CB 3.44Å; E302-N305 PolarHBondContact O-N 2.86Å; E302-T306 WeakPolarHBondContact O-CG2 3.34Å; E302-T306 PolarHBondContact O-N 3.38Å; E302-T306 PolarHBondContact O-OG1 2.85Å
303A79.8Confident80.7Confident6 Ų684 Ų845%0.0546%0.458CS..Hα-helixtrans-57.6-39.2173.900000112.9Q289 V293 I298 S299 E300 T306 I307Q289-A303 HydrophobicContact CB-CB 4.25Å; V293-A303 HydrophobicContact CG2-CB 3.43Å; V293-A303 VanDerWaalsContact CG2-CB 3.43Å; I298-A303 HydrophobicContact CD1-CB 3.74Å; I298-A303 HydrophobicContact CG1-CB 4.34Å; S299-A303 PolarHBondContact O-N 3.25Å; E300-A303 PolarHBondContact O-N 3.42Å; A303-T306 WeakPolarHBondContact CA-OG1 3.47Å; A303-T306 PolarHBondContact O-OG1 2.86Å; A303-I307 WeakPolarHBondContact O-CB 3.41Å; A303-I307 WeakPolarHBondContact O-CD1 3.41Å; A303-I307 WeakPolarHBondContact O-CG1 3.43Å; A303-I307 PolarHBondContact O-N 2.67Å; A303-I307 VanDerWaalsContact O-N 3.08Å
304R80Confident79.4Confident150 Ų15086.1 Ų86.157%0.56647%0.468SS*.Hα-helixtrans-64.6-43.1173.2-73.6171.3178.8-142.37.8111.5E300 E302 I307 L308E300-R304 WeakPolarHBondContact O-CB 3.38Å; E300-R304 VanDerWaalsContact O-CG 3.27Å; E300-R304 WeakPolarHBondContact O-CG 3.34Å; E300-R304 PolarHBondContact O-N 2.95Å; E300-R304 IonicContact OE1-CZ 3.12Å; E300-R304 IonicContact OE1-NE 2.8Å; E300-R304 PolarHBondContact OE1-NE 3.48Å; E300-R304 IonicContact OE1-NH2 2.66Å; E300-R304 PolarHBondContact OE1-NH2 3.2Å; E302-R304 VanDerWaalsContact C-N 3.29Å; E302-R304 PolarHBondContact O-N 3.24Å; R304-I307 PolarHBondContact O-N 3.3Å; R304-L308 WeakPolarHBondContact O-CB 3.35Å; R304-L308 VanDerWaalsContact O-CG 3.26Å; R304-L308 WeakPolarHBondContact O-CG 3.32Å; R304-L308 PolarHBondContact O-N 2.97Å
305N82.5Confident77.9Confident97 Ų9787.1 Ų87.152%0.51946%0.464SS..Hα-helixtrans-66.4-40.3178.8-73-15.1000112.7K301 E302 L308 S309K301-N305 VanDerWaalsContact O-CG 3.25Å; K301-N305 PolarHBondContact O-N 2.86Å; K301-N305 PolarHBondContact O-ND2 2.71Å; E302-N305 WeakPolarHBondContact O-CB 3.44Å; E302-N305 PolarHBondContact O-N 2.86Å; N305-L308 PolarHBondContact O-N 3.02Å; N305-S309 PolarHBondContact O-N 3.17Å
306T80.3Confident76Confident46 Ų4683.7 Ų83.728%0.28244%0.444SS..Hα-helixtrans-68-35.1175.858.30000112.2Q289 E302 A303 S309Q289-T306 PolarHBondContact OE1-OG1 3.06Å; E302-T306 WeakPolarHBondContact O-CG2 3.34Å; E302-T306 PolarHBondContact O-N 3.38Å; E302-T306 PolarHBondContact O-OG1 2.85Å; A303-T306 WeakPolarHBondContact CA-OG1 3.47Å; A303-T306 PolarHBondContact O-OG1 2.86Å; T306-S309 PolarHBondContact O-N 3.28Å; T306-S309 PolarHBondContact O-OG 3.36Å
307I78.6Confident74.4Confident57 Ų5782.6 Ų82.629%0.29242%0.423SS..Hα-helixtrans-67.7-38.8172.7-68.8167.2000111I286 Q289 A303 R304 S309 L310I286-I307 HydrophobicContact CD1-CG2 4.4Å; I286-I307 HydrophobicContact CG1-CD1 4.09Å; I286-I307 HydrophobicContact CG1-CG1 4.06Å; I286-I307 HydrophobicContact CG1-CG2 4.17Å; I286-I307 HydrophobicContact CG2-CD1 4.36Å; Q289-I307 HydrophobicContact CB-CD1 4.25Å; Q289-I307 HydrophobicContact CB-CG1 4.39Å; Q289-I307 HydrophobicContact CG-CG1 4.26Å; A303-I307 WeakPolarHBondContact O-CB 3.41Å; A303-I307 WeakPolarHBondContact O-CD1 3.41Å; A303-I307 WeakPolarHBondContact O-CG1 3.43Å; A303-I307 PolarHBondContact O-N 2.67Å; A303-I307 VanDerWaalsContact O-N 3.08Å; R304-I307 PolarHBondContact O-N 3.3Å; I307-S309 VanDerWaalsContact C-N 3.32Å; I307-S309 PolarHBondContact O-N 3.24Å; I307-L310 WeakPolarHBondContact O-CB 3.39Å; I307-L310 VanDerWaalsContact O-CG 3.31Å; I307-L310 WeakPolarHBondContact O-CG 3.31Å; I307-L310 PolarHBondContact O-N 2.93Å
308L75.2Confident72.5Confident109 Ų10982.3 Ų82.357%0.57142%0.422SS*.Hα-helixtrans-71-23177-72.2171.1000113.8R304 N305 L310R304-L308 WeakPolarHBondContact O-CB 3.35Å; R304-L308 VanDerWaalsContact O-CG 3.26Å; R304-L308 WeakPolarHBondContact O-CG 3.32Å; R304-L308 PolarHBondContact O-N 2.97Å; N305-L308 PolarHBondContact O-N 3.02Å; L308-L310 VanDerWaalsContact C-N 3.3Å
309S80.1Confident70.5Confident95 Ų9584.6 Ų84.666%0.66444%0.437SS*.THydrogen-bonded Turntrans-81.8-3.3174.973.10000114N305 T306 I307N305-S309 PolarHBondContact O-N 3.17Å; T306-S309 PolarHBondContact O-N 3.28Å; T306-S309 PolarHBondContact O-OG 3.36Å; I307-S309 VanDerWaalsContact C-N 3.32Å; I307-S309 PolarHBondContact O-N 3.24Å
310L77.9Confident68.7Low24 Ų2482.7 Ų82.713%0.12642%0.422CS..SBendtrans-65148.3177-62.4-179.4000111.9L282 K285 I307 L308 R312L282-L310 HydrophobicContact CD1-CD1 4.04Å; L282-L310 HydrophobicContact CG-CD1 4.19Å; K285-L310 HydrophobicContact CB-CD1 4.32Å; K285-L310 HydrophobicContact CD-CD2 3.5Å; I307-L310 WeakPolarHBondContact O-CB 3.39Å; I307-L310 VanDerWaalsContact O-CG 3.31Å; I307-L310 WeakPolarHBondContact O-CG 3.31Å; I307-L310 PolarHBondContact O-N 2.93Å; L308-L310 VanDerWaalsContact C-N 3.3Å; L310-R312 PolarHBondContact O-N 3.26Å
311P72.6Confident66.7Low78 Ų7881 Ų8151%0.50642%0.416SS..PPolyproline II helixtrans-60.2128.9-175.8-18.729.4000110.8Y278Y278-P311 HydrophobicContact CE2-CB 4.4Å; Y278-P311 VanDerWaalsContact CE2-O 3.31Å; Y278-P311 WeakPolarHBondContact CE2-O 3.38Å; Y278-P311 VanDerWaalsContact CZ-O 3.24Å; Y278-P311 PolarHBondContact OH-O 3.16Å
312R66.9Low64.5Low168 Ų16877.4 Ų77.463%0.63441%0.408SS*.PPolyproline II helixtrans-69.7138.7-174.2-65.9-174-177.4172.53112.4L310 D314L310-R312 PolarHBondContact O-N 3.26Å; R312-D314 WeakPolarHBondContact CB-OD2 3.49Å; R312-D314 PolarHBondContact O-N 2.93Å; R312-D314 VanDerWaalsContact O-N 3.16Å
313P62.9Low62.4Low28 Ų2882.3 Ų82.318%0.18242%0.422CS..  trans-80.914.7-174.234-38.2000115Y278 V315 F316 L317Y278-P313 HydrophobicContact CD1-CB 4.24Å; Y278-P313 HydrophobicContact CE1-CB 3.73Å; Y278-P313 HydrophobicContact CE1-CG 4.45Å; P313-V315 PolarHBondContact O-N 3.1Å; P313-F316 PolarHBondContact O-N 3.25Å; P313-L317 HydrophobicContact CB-CD1 3.76Å; P313-L317 HydrophobicContact CB-CG 4.18Å; P313-L317 HydrophobicContact CG-CD1 3.63Å
314D57.2Low60.5Low94 Ų9488 Ų8850%0.50345%0.447SS..Hα-helixtrans-58.8-24.7-163.8-60.6-32.2000114.3R312 N318R312-D314 WeakPolarHBondContact CB-OD2 3.49Å; R312-D314 PolarHBondContact O-N 2.93Å; R312-D314 VanDerWaalsContact O-N 3.16Å; D314-N318 PolarHBondContact O-ND2 3.03Å; D314-N318 VanDerWaalsContact O-ND2 3.1Å
315V54.2Low58.8Low109 Ų10986.2 Ų86.266%0.66145%0.453SS*.Hα-helixtrans-76-24.4177.3-174.30000113.1P313P313-V315 PolarHBondContact O-N 3.1Å
316F50.5Low56.6Low55 Ų5591.4 Ų91.424%0.24147%0.466CS..Hα-helixtrans-107.1-23.1-166.5-65.8-69.8000115.5R271 K274 P313R271-F316 HydrophobicContact CG-CD1 4.06Å; R271-F316 HydrophobicContact CG-CE1 4.48Å; K274-F316 HydrophobicContact CB-CD1 4.3Å; K274-F316 HydrophobicContact CB-CE1 3.54Å; K274-F316 HydrophobicContact CB-CZ 3.98Å; K274-F316 HydrophobicContact CD-CE1 4.41Å; P313-F316 PolarHBondContact O-N 3.25Å
317L52Low54.6Low41 Ų4199.1 Ų99.122%0.21549%0.49CS..Hα-helixtrans-95.7-29.6-170.7-66.5174.5000114.4P313 V319P313-L317 HydrophobicContact CB-CD1 3.76Å; P313-L317 HydrophobicContact CB-CG 4.18Å; P313-L317 HydrophobicContact CG-CD1 3.63Å; L317-V319 PolarHBondContact O-N 3.14Å
318N47.1Very low52.6Low111 Ų111101.9 Ų101.959%0.59451%0.511SS*.THydrogen-bonded Turntrans-78.2-14.3-164-71.1-38.4000116D314D314-N318 PolarHBondContact O-ND2 3.03Å; D314-N318 VanDerWaalsContact O-ND2 3.1Å
319V44.8Very low50.9Low76 Ų76102 Ų10246%0.46152%0.521SS..THydrogen-bonded Turntrans-100.1-34.4-169.5-175.20000114.1L317L317-V319 PolarHBondContact O-N 3.14Å
320D46.8Very low48.7Very low24 Ų24108.1 Ų108.113%0.12853%0.53CS..THydrogen-bonded Turntrans-79.8-34.9-175.7-77.5-62.8000113.1R268 V322 R323 E324R268-D320 IonicContact CZ-OD1 3.91Å; R268-D320 IonicContact NE-OD1 2.67Å; R268-D320 PolarHBondContact NE-OD1 3.2Å; R268-D320 IonicContact NH2-OD1 2.94Å; R268-D320 PolarHBondContact NH2-OD1 3.26Å; D320-V322 VanDerWaalsContact C-N 3.31Å; D320-V322 PolarHBondContact O-N 2.95Å; D320-R323 PolarHBondContact O-N 2.98Å; D320-E324 PolarHBondContact O-N 3.23Å
321L41.1Very low46.4Very low75 Ų75115.4 Ų115.439%0.39356%0.561SS.*Hα-helixtrans-63.8-29.5-176.2-75.5165.3000114.4T325 V340L321-T325 PolarHBondContact O-OG1 3.5Å; L321-V340 HydrophobicContact CD2-CG1 4.4Å
322V40.3Very low44.5Very low85 Ų85120.5 Ų120.552%0.51558%0.577SS.*Hα-helixtrans-78.7-20.5-177.6-175.30000112.5D320D320-V322 VanDerWaalsContact C-N 3.31Å; D320-V322 PolarHBondContact O-N 2.95Å
323R39Very low42.6Very low200 Ų200120.6 Ų120.676%0.75559%0.589SS**Hα-helixtrans-97.8-27.4-178.2-88.9-178.6165.7167-3114.4D320D320-R323 PolarHBondContact O-N 2.98Å
324E41.3Very low41.1Very low126 Ų126128 Ų12859%0.58962%0.619SS**Hα-helixtrans-75.4-33.8177.4-71.1-175.8161.300112.6D320 R326D320-E324 PolarHBondContact O-N 3.23Å; E324-R326 PolarHBondContact O-N 3.38Å
325T42.8Very low39.8Very low113 Ų113133 Ų13369%0.69364%0.639SS**THydrogen-bonded Turntrans-72.7-6.3-178.246.70000115.2L321L321-T325 PolarHBondContact O-OG1 3.5Å
326R36.8Very low38.8Very low205 Ų205132.3 Ų132.377%0.77465%0.645SS**THydrogen-bonded Turntrans-106.73.8-175.9-68.6-170.2177.4-163.20.4115.4E324E324-R326 PolarHBondContact O-N 3.38Å
327R38.3Very low37.9Very low208 Ų208137.6 Ų137.679%0.78568%0.675SS**SBendtrans-86.9123.8174.3-78.8-176.9171.5148.3-5.2110.8S329R327-S329 PolarHBondContact O-N 3.31Å
328P35.9Very low37Very low115 Ų115140 Ų14075%0.74770%0.695SS**  trans-70.4104.6172.628.4-32.5000109.8R330P328-R330 VanDerWaalsContact C-N 3.35Å; P328-R330 PolarHBondContact O-N 3.5Å
329S40.4Very low36.5Very low111 Ų111139.4 Ų139.478%0.77669%0.691SS**  trans-71.282.9179.455.60000111.5R327 F331R327-S329 PolarHBondContact O-N 3.31Å; S329-F331 VanDerWaalsContact C-N 3.25Å; S329-F331 PolarHBondContact O-N 3.15Å
330R33.2Very low36.1Very low225 Ų225137.9 Ų137.985%0.84968%0.682SS**  trans-76.7-2.5175.8-87.2-171.1173.3-178.8-1.3114.8P328P328-R330 VanDerWaalsContact C-N 3.35Å; P328-R330 PolarHBondContact O-N 3.5Å
331F30.7Very low35.6Very low177 Ų177143.2 Ų143.278%0.77670%0.704SS**SBendtrans-138.5150.5-179-67.4-83.8000111.9S329S329-F331 VanDerWaalsContact C-N 3.25Å; S329-F331 PolarHBondContact O-N 3.15Å
332H31.7Very low35.5Very low185 Ų185144.2 Ų144.286%0.85671%0.706SS**  trans69.875.9179.4-63.5-74.2000117.9K334H332-K334 PolarHBondContact O-N 3.23Å
333L28.5Very low35.3Very low169 Ų169143.1 Ų143.189%0.88570%0.702SS**  trans-8582.8162-157.3162.4000109.5
334K30.3Very low35.2Very low185 Ų185136 Ų13680%0.80468%0.683SS**SBendtrans-178130.8161.7-100.8155.8-171.4-177.80110H332H332-K334 PolarHBondContact O-N 3.23Å
335Q30.3Very low34.9Very low197 Ų197134 Ų13492%0.92168%0.675SS**  trans57.786.6164.4-62.7174.2-20.100118.3
336A32.3Very low34.7Very low95 Ų95131.6 Ų131.679%0.78566%0.663SS**  trans-158.299150.600000111.3S338A336-S338 PolarHBondContact O-N 3.18Å; A336-S338 VanDerWaalsContact O-N 3.13Å
337L31.9Very low34.9Very low166 Ų166129.5 Ų129.587%0.86967%0.667SS**  trans-79.286.6165.9-87.2167000109L339L337-L339 PolarHBondContact O-N 2.9Å; L337-L339 VanDerWaalsContact O-N 3.14Å
338S34.3Very low35.1Very low92 Ų92123 Ų12364%0.64367%0.666SS**  trans-75.696.8172.7-176.80000110.4A336 V340A336-S338 PolarHBondContact O-N 3.18Å; A336-S338 VanDerWaalsContact O-N 3.13Å; S338-V340 PolarHBondContact O-N 3.1Å; S338-V340 VanDerWaalsContact O-N 3.1Å
339L34.9Very low35.2Very low98 Ų98125.1 Ų125.151%0.51366%0.659SS.*  trans-6998.3166.8-93.2161000109.5L337 F341 L354L337-L339 PolarHBondContact O-N 2.9Å; L337-L339 VanDerWaalsContact O-N 3.14Å; L339-F341 HydrophobicContact CB-CE2 4.17Å; L339-F341 PolarHBondContact O-N 2.91Å; L339-L354 HydrophobicContact CD2-CD2 3.76Å
340V37.9Very low35.3Very low45 Ų45125.1 Ų125.127%0.27365%0.646SS.*EExtended strand (participates in β ladder)trans-88.1104.5173.5-175.80000109.2L321 S338 F342L321-V340 HydrophobicContact CD2-CG1 4.4Å; S338-V340 PolarHBondContact O-N 3.1Å; S338-V340 VanDerWaalsContact O-N 3.1Å; V340-F342 HydrophobicContact CG1-CD2 4.2Å
341F35.3Very low35.5Very low135 Ų135116.8 Ų116.859%0.59262%0.62SS**EExtended strand (participates in β ladder)trans-77.4117.1168.6-67.6-88.8000109.8L339 V352 L354L339-F341 HydrophobicContact CB-CE2 4.17Å; L339-F341 PolarHBondContact O-N 2.91Å; F341-V352 HydrophobicContact CD1-CG1 4.11Å; F341-L354 HydrophobicContact CD1-CD2 4.47Å; F341-L354 HydrophobicContact CE1-CD2 4.1Å
342F40.2Very low35.8Very low97 Ų97112.3 Ų112.343%0.42561%0.607SS.*EExtended strand (participates in β ladder)trans-100.7117.7167-116.1-92.5000108.2V340 V352 Y353V340-F342 HydrophobicContact CG1-CD2 4.2Å; F342-V352 CarbonylContact O-C 3.59Å; F342-V352 WeakPolarHBondContact O-CA 3.31Å; F342-Y353 HydrophobicContact CB-CD2 4.14Å; F342-Y353 HydrophobicContact CB-CG 4.37Å; F342-Y353 PolarHBondContact N-O 3.39Å; F342-Y353 PolarHBondContact O-N 3.28Å
343S34.8Very low36.2Very low61 Ų61109.2 Ų109.243%0.42759%0.589SS.*EExtended strand (participates in β ladder)trans-106.5110.1166.857.70000108.9
344C36.9Very low36.6Very low52 Ų52106 Ų10635%0.35157%0.572SS.*EExtended strand (participates in β ladder)trans-114.9132.8169.2-71.20000109.6V351 Y353C344-V351 PolarHBondContact N-O 2.78Å; C344-V351 VanDerWaalsContact N-O 3.13Å; C344-V351 PolarHBondContact O-N 3.35Å; C344-V351 VanDerWaalsContact O-N 3.08Å; C344-Y353 HydrophobicContact CB-CE2 4.22Å
345L36Very low37Very low82 Ų82100.3 Ų100.343%0.42955%0.55SS.*EExtended strand (participates in β ladder)trans-80117.4163.4-89.8147.4000108.2
346S39Very low37.1Very low63 Ų6396.9 Ų96.944%0.44153%0.533SS..EExtended strand (participates in β ladder)trans-129.4126168.5-175.70000107.9G348 R349S346-G348 VanDerWaalsContact C-N 3.28Å; S346-G348 PolarHBondContact O-N 3.45Å; S346-R349 PolarHBondContact N-O 3.42Å; S346-R349 PolarHBondContact O-N 3.15Å
347N41Very low37.5Very low161 Ų16199.8 Ų99.886%0.86153%0.532SS*.THydrogen-bonded Turntrans48.344.1-180-60-10.8000114.3R349N347-R349 PolarHBondContact O-N 3.26Å; N347-R349 VanDerWaalsContact O-N 3.11Å
348G42Very low37.7Very low73 Ų7396 Ų9675%0.75352%0.517SS*.THydrogen-bonded Turntrans71.7-2.4179.500000115.6S346S346-G348 VanDerWaalsContact C-N 3.28Å; S346-G348 PolarHBondContact O-N 3.45Å
349R37.1Very low37.7Very low159 Ų15997.8 Ų97.860%0.652%0.52SS*.EExtended strand (participates in β ladder)trans-95.9136176.7-65.3-177.9177.5179.8-1.8110.5S346 N347 V351S346-R349 PolarHBondContact N-O 3.42Å; S346-R349 PolarHBondContact O-N 3.15Å; N347-R349 PolarHBondContact O-N 3.26Å; N347-R349 VanDerWaalsContact O-N 3.11Å; R349-V351 PolarHBondContact O-N 3.48Å
350H42.4Very low37.6Very low111 Ų11197.4 Ų97.451%0.51454%0.539SS..EExtended strand (participates in β ladder)trans-85.1101.4179.2-145.8-83.7000109.2
351V37.3Very low37.5Very low50 Ų50102.5 Ų102.530%0.30356%0.56SS.*EExtended strand (participates in β ladder)trans-98.6114.9-178.1-171.30000109.9C344 R349 Y353C344-V351 PolarHBondContact N-O 2.78Å; C344-V351 VanDerWaalsContact N-O 3.13Å; C344-V351 PolarHBondContact O-N 3.35Å; C344-V351 VanDerWaalsContact O-N 3.08Å; R349-V351 PolarHBondContact O-N 3.48Å; V351-Y353 HydrophobicContact CB-CD2 4.44Å; V351-Y353 HydrophobicContact CB-CE2 3.84Å; V351-Y353 HydrophobicContact CG1-CD1 4.49Å; V351-Y353 HydrophobicContact CG1-CD2 3.91Å; V351-Y353 HydrophobicContact CG1-CE1 4.09Å; V351-Y353 HydrophobicContact CG1-CE2 3.43Å; V351-Y353 VanDerWaalsContact CG1-CE2 3.43Å; V351-Y353 HydrophobicContact CG1-CG 4.42Å
352V38Very low37.4Very low83 Ų83100.7 Ų100.750%0.50356%0.564SS.*EExtended strand (participates in β ladder)trans-94.9106.4173.2-177.70000109F341 F342F341-V352 HydrophobicContact CD1-CG1 4.11Å; F342-V352 CarbonylContact O-C 3.59Å; F342-V352 WeakPolarHBondContact O-CA 3.31Å
353Y40.6Very low36.9Very low119 Ų119104.6 Ų104.647%0.46759%0.588SS.*EExtended strand (participates in β ladder)trans-86.6117.2172.8-59.1-97000109.7F342 C344 V351 N355F342-Y353 HydrophobicContact CB-CD2 4.14Å; F342-Y353 HydrophobicContact CB-CG 4.37Å; F342-Y353 PolarHBondContact N-O 3.39Å; F342-Y353 PolarHBondContact O-N 3.28Å; C344-Y353 HydrophobicContact CB-CE2 4.22Å; V351-Y353 HydrophobicContact CB-CD2 4.44Å; V351-Y353 HydrophobicContact CB-CE2 3.84Å; V351-Y353 HydrophobicContact CG1-CD1 4.49Å; V351-Y353 HydrophobicContact CG1-CD2 3.91Å; V351-Y353 HydrophobicContact CG1-CE1 4.09Å; V351-Y353 HydrophobicContact CG1-CE2 3.43Å; V351-Y353 VanDerWaalsContact CG1-CE2 3.43Å; V351-Y353 HydrophobicContact CG1-CG 4.42Å; Y353-N355 PolarHBondContact O-N 2.87Å
354L36Very low36.6Very low101 Ų101109 Ų10953%0.52961%0.606SS.*EExtended strand (participates in β ladder)trans-87.394.7168.2-81.1163.6000109.4L339 F341 F356L339-L354 HydrophobicContact CD2-CD2 3.76Å; F341-L354 HydrophobicContact CD1-CD2 4.47Å; F341-L354 HydrophobicContact CE1-CD2 4.1Å; L354-F356 PolarHBondContact O-N 2.85Å; L354-F356 VanDerWaalsContact O-N 3.11Å
355N39.2Very low36.3Very low66 Ų66115.9 Ų115.935%0.35363%0.63SS.*EExtended strand (participates in β ladder)trans-78.793.6173.2-103.8-41.8000110.7Y353 M357Y353-N355 PolarHBondContact O-N 2.87Å; N355-M357 PolarHBondContact O-N 2.87Å
356F32.9Very low36Very low126 Ų126120.1 Ų120.155%0.55365%0.652SS**  trans-74.6112.2156-84.7-91.3000108.5L354 P358L354-F356 PolarHBondContact O-N 2.85Å; L354-F356 VanDerWaalsContact O-N 3.11Å; F356-P358 VanDerWaalsContact C-CD 3.47Å; F356-P358 WeakPolarHBondContact O-CD 3.44Å
357M41Very low35.7Very low155 Ų155122 Ų12276%0.76467%0.666SS**  trans-99.191.5170.6-76-84.596.300110.2N355N355-M357 PolarHBondContact O-N 2.87Å
358P34.7Very low35.2Very low88 Ų88120.1 Ų120.157%0.57166%0.662SS**  trans-76.8129.2161.932.5-32000109.5F356F356-P358 VanDerWaalsContact C-CD 3.47Å; F356-P358 WeakPolarHBondContact O-CD 3.44Å
359D34.2Very low34.7Very low129 Ų129124.4 Ų124.469%0.6967%0.667SS**SBendtrans48.273.7158.4-53.4-22.2000117.8Q361D359-Q361 VanDerWaalsContact C-N 3.31Å; D359-Q361 PolarHBondContact O-N 2.92Å
360G34.2Very low34.5Very low89 Ų89122.4 Ų122.492%0.91867%0.673SS**  trans54.128.4133.100000119.5
361Q34.3Very low34Very low152 Ų152123.1 Ų123.171%0.7168%0.679SS**  trans-115.6115.8175.6-70.7-168.8-23.700111.7D359D359-Q361 VanDerWaalsContact C-N 3.31Å; D359-Q361 PolarHBondContact O-N 2.92Å
362S34.8Very low33.8Very low97 Ų97128.7 Ų128.768%0.67871%0.706SS**  trans25.7112.9154.454.40000118.2L364S362-L364 PolarHBondContact O-N 3.2Å
363L28.5Very low33.5Very low180 Ų180131.4 Ų131.494%0.94271%0.713SS**  trans-37.9108.6145.6-71.4160.7000110.5
364L28.3Very low33.1Very low152 Ų152131.1 Ų131.180%0.79673%0.729SS**  trans-171.8129.8159.8-103.9165.7000110.1S362S362-L364 PolarHBondContact O-N 3.2Å
365K30.4Very low32.8Very low197 Ų197136.6 Ų136.686%0.85774%0.742SS**  trans59.494.6174.4-70.8-178.8174177.70117.6S367K365-S367 PolarHBondContact O-N 2.82Å
366L29.4Very low32.6Very low171 Ų171144.9 Ų144.990%0.89579%0.787SS**  trans-62.9118.9153.2-71.7160.7000109.6
367S33.4Very low32.6Very low103 Ų103145.8 Ų145.872%0.7280%0.798SS**  trans-97.8127.8167.452.40000110.1K365 L369K365-S367 PolarHBondContact O-N 2.82Å; S367-L369 PolarHBondContact O-N 3.5Å
368P30Very low32.1Very low122 Ų122145.3 Ų145.379%0.79280%0.8SS**  trans-82.4112.1178.532.2-31.4000110.8
369L32.4Very low32Very low162 Ų162148.5 Ų148.585%0.84881%0.813SS**  trans-176.9137.7165.6-91.9135.9000105.2S367S367-L369 PolarHBondContact O-N 3.5Å
370T32.8Very low31.9Very low118 Ų118149.6 Ų149.672%0.72482%0.82SS**  cis-132.7132.624.3-35.90000110.4
371I32.1Very low31.7Very low126 Ų126153.4 Ų153.465%0.64681%0.814SS**  trans-80.2116.5163.6-61.2172.3000106.4E373I371-E373 HydrophobicContact CG2-CG 3.83Å; I371-E373 PolarHBondContact O-N 3.49Å
372L33.2Very low31.6Very low167 Ų167153.5 Ų153.587%0.87482%0.821SS**  trans-80.196161-82.7167.4000107.1S374L372-S374 PolarHBondContact O-N 2.78Å
373E30.8Very low31.3Very low140 Ų140157.6 Ų157.665%0.65483%0.831SS**  trans-70.6101.2164-67.9-167138.500108.4I371 R375I371-E373 HydrophobicContact CG2-CG 3.83Å; I371-E373 PolarHBondContact O-N 3.49Å; E373-R375 PolarHBondContact O-N 2.89Å
374S32.8Very low31.5Very low113 Ų113155.8 Ų155.879%0.7982%0.822SS**  trans-73.6101.6149.755.40000106.9L372L372-S374 PolarHBondContact O-N 2.78Å
375R30.2Very low31.8Very low215 Ų215156.2 Ų156.281%0.81183%0.825SS**  trans-74117.2159.8-79.8-179.5171.8178.7-5.4107.6E373E373-R375 PolarHBondContact O-N 2.89Å
376D34.4Very low31.9Very low240 Ų240152.5 Ų152.5100%1.28382%0.822SS**  trans-165.90139.2-84.3-28.3000107.6

Retrieved 376 of 376 residues in 106.3 ms (Link to these results)