A0A3Q0KLG9_SCHMA Loading...

Apoptosis stimulating of P53, putative AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KLG9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,359 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
1M34.5Very low28.4Very low246 Ų246152.5 Ų152.5100%1.21282%0.819SS**  0165.50-75.2173.7170.200108.5
2H28.4Very low28.5Very low189 Ų189152.9 Ų152.988%0.87582%0.821SS**  trans-79.8154.4-149.5-94.6-86.7000117.2
3Q24.8Very low28.8Very low161 Ų161151.7 Ų151.775%0.75281%0.806SS**  trans-65.6150.2157.7-61.3169.3-48.200110.7
4N25.6Very low29Very low126 Ų126151.1 Ų151.167%0.67480%0.796SS**  trans63.6155.7161.5-48.8-16.6000114.7
5H26.6Very low29.3Very low170 Ų170148.5 Ų148.579%0.78778%0.778SS**  cis-142.5169.225.2-92.4-85.1000112.9
6T28.7Very low29.5Very low113 Ų113146.5 Ų146.569%0.69376%0.763SS**  trans-68.3154.116145.90000112.9
7N25.6Very low29.5Very low157 Ų157147.6 Ų147.684%0.8476%0.755SS**  trans76.2127165-59.2-12.3000118.1
8I30.6Very low29.6Very low171 Ų171148.2 Ų148.288%0.87775%0.754SS**  trans-101.2128.5157.8-66170.6000106.9
9S25.2Very low29.6Very low108 Ų108148.4 Ų148.476%0.75575%0.752SS**  trans-107.5139.5156.954.90000108.5
10S30.3Very low29.6Very low117 Ų117147.9 Ų147.982%0.81875%0.746SS**  trans-69.1155.6175.452.50000112.2
11V32.4Very low29.6Very low119 Ų119147 Ų14772%0.72174%0.744SS**  trans-89.7146.3-178.3173.40000110.4
12D28.9Very low29.4Very low158 Ų158144.8 Ų144.885%0.84572%0.723SS**  trans-154.7166.1135.5-120.4-33000113.3
13H32.4Very low29.5Very low137 Ų137141.8 Ų141.863%0.63472%0.719SS**  trans-122.9145.3-170.9-100.736.4000113.3
14H32.2Very low30Very low144 Ų144139.8 Ų139.867%0.66772%0.719SS**  trans-158.8-166.8135-118.9-64.8000111.5V168 N169H14-V168 CarbonylContact C-O 3.16Å; H14-N169 WeakPolarHBondContact O-CB 3.42Å; H14-N169 PolarHBondContact O-ND2 2.95Å
15Q32.6Very low30.1Very low111 Ų111143 Ų14352%0.51973%0.728SS.*  trans-148.9104.6-172.9-66.9-169.6-18.400115.9V168 N169 T170Q15-V168 CarbonylContact C-O 3.2Å; Q15-V168 WeakPolarHBondContact CA-O 3.49Å; Q15-V168 PolarHBondContact N-O 3.25Å; Q15-N169 CarbonylContact C-O 3.54Å; Q15-N169 HydrophobicContact CG-CB 4.26Å; Q15-T170 VanDerWaalsContact CB-OG1 3.3Å; Q15-T170 WeakPolarHBondContact CB-OG1 3.47Å; Q15-T170 HydrophobicContact CG-CG2 4.16Å; Q15-T170 WeakPolarHBondContact CG-OG1 3.4Å; Q15-T170 PolarHBondContact NE2-OG1 3.35Å; Q15-T170 PolarHBondContact OE1-OG1 2.81Å
16H33.4Very low30.1Very low117 Ų117141.8 Ų141.854%0.54273%0.726SS.*  trans177.2161143.7-86.6-50.7000109.3V168 N169H16-V168 PolarHBondContact N-O 3.28Å; H16-V168 CarbonylContact O-C 3.23Å; H16-V168 VanDerWaalsContact O-C 3.23Å; H16-N169 CarbonylContact C-O 3.49Å; H16-N169 VanDerWaalsContact C-O 3.28Å; H16-N169 WeakPolarHBondContact CA-O 3.34Å; H16-N169 PolarHBondContact N-O 2.85Å; H16-N169 PolarHBondContact O-N 2.93Å
17R29.1Very low30Very low166 Ų166143.4 Ų143.463%0.62673%0.726SS**  cis-176.8130.7-22.8168.5-169.9-70.8-145.8-8.7110.3
18Q31Very low30.2Very low158 Ų158142.4 Ų142.474%0.73872%0.716SS**  trans59.9151.4162.4-67.3164.7-3.200117.4
19Q30.1Very low30Very low151 Ų151141 Ų14171%0.70671%0.71SS**  cis-151.9137.1-3-137.8169-6.300111.7
20Q30.1Very low30.1Very low138 Ų138140.9 Ų140.965%0.64571%0.709SS**  trans33.3117.5145.8-63.5-171.5-52.500120.7
21D29.5Very low30Very low131 Ų131141 Ų14170%0.70171%0.705SS**  82.4140.474.2-67.1-45000112.8
22Y30.5Very low29.9Very low198 Ų198142.1 Ų142.178%0.77671%0.713SS**  cis-142.3143.144.7-92.5-102.1000116.1
23T30Very low29.9Very low127 Ų127139.2 Ų139.278%0.77971%0.71SS**  trans-138.3142.9132.757.60000109
24P34.1Very low29.7Very low118 Ų118137.1 Ų137.177%0.76672%0.717SS**  trans-101.1126172.533.8-28000112.4
25K27.9Very low29.6Very low194 Ų194136.5 Ų136.584%0.84372%0.723SS**  trans-118.1-176.9163.9-92.6-171.4177.9-179.60109.2
26L28Very low29.4Very low144 Ų144137.8 Ų137.875%0.75473%0.733SS**  trans99.2123.4166.1-52.9171.3000112.9
27Q26.9Very low29.2Very low147 Ų147137.2 Ų137.269%0.68774%0.738SS**  71.4145.558.2-71.2-175.2-26.900112.4
28H27.9Very low29.1Very low137 Ų137136.2 Ų136.263%0.63475%0.745SS**  cis-153.4164.317.9-130.1-64.8000112.5
29N28.2Very low29.1Very low141 Ų141135.3 Ų135.375%0.75474%0.744SS**  trans73.8134.9150.9-67.3-18.8000122.6
30S26.3Very low29Very low106 Ų106135.6 Ų135.674%0.74175%0.745SS**  trans-87.5157.3157.550.60000111.4
31T28.5Very low28.9Very low118 Ų118133.3 Ų133.372%0.72474%0.744SS**  173148.3125-67.70000110.2
32T30.6Very low29Very low144 Ų144137.1 Ų137.188%0.88375%0.749SS**  trans66.3146.7169.329.40000118.7
33A28.4Very low29Very low96 Ų96133.7 Ų133.779%0.79375%0.749SS**  trans-100163.6-171.400000113.8
34A27.7Very low29.2Very low93 Ų93132.2 Ų132.277%0.76974%0.743SS**  trans103.2135.6141.900000119.9
35V30Very low29.1Very low131 Ų131131.3 Ų131.379%0.79474%0.74SS**  trans73.490.2160.6-157.90000118.6
36N28.7Very low29.4Very low139 Ų139131.1 Ų131.174%0.74374%0.739SS**  24.8148.3115.8-64.13.6000120.7
37T29Very low29.6Very low104 Ų104128.8 Ų128.864%0.63874%0.735SS**  cis-179.4143.1-19.934.80000107.3
38N26.9Very low29.8Very low145 Ų145131.3 Ų131.378%0.77575%0.747SS**  trans62.3150.4153.5-71-37.6000117.8
39I31.2Very low29.8Very low139 Ų139128.7 Ų128.771%0.71376%0.756SS**  cis-154.5153.533.4-137.5145.3000113.4
40Q28.7Very low29.9Very low158 Ų158126.6 Ų126.674%0.73876%0.759SS**  trans-13.9158152.1-37.1166.7-17.600117.7
41S28.6Very low30.2Very low89 Ų89129.7 Ų129.762%0.62277%0.766SS**  166.4166.457.939.60000110.9
42R30.3Very low30.2Very low212 Ų212131.2 Ų131.280%0.877%0.765SS**  150.5110.5116.8-77.8-148171.1180-3.9117.1
43T30.9Very low30.1Very low126 Ų126132.7 Ų132.777%0.77376%0.755SS**  86.4163.311466.20000116.8
44S34Very low30.1Very low95 Ų95135.7 Ų135.766%0.66475%0.753SS**  cis-162.2141.926.657.80000118.9
45S33Very low30.4Very low99 Ų99138.5 Ų138.569%0.69275%0.75SS**  trans59.7140.9139.269.90000120.6
46K34.4Very low30.4Very low191 Ų191139 Ų13983%0.8375%0.747SS**  -172.9175.559-72.1176.5-170.8172.20109.9
47S30.6Very low30.4Very low95 Ų95139.3 Ų139.366%0.66475%0.749SS**  cis-178.1159-34.4630000111.5
48Q31.8Very low30.9Very low200 Ų200137.9 Ų137.994%0.93574%0.741SS**  trans79.5144.8166.1-61.2-172.2-17.200120.3
49G29Very low31.1Very low81 Ų81140.6 Ų140.684%0.83574%0.742SS**  trans146.4142.4176.800000112.5
50A29.3Very low30.9Very low98 Ų98142 Ų14281%0.8175%0.746SS**  trans-154.8175.3-17400000115.1
51L33.7Very low30.9Very low170 Ų170142.1 Ų142.189%0.8975%0.751SS**  trans80.6119.1-172.6-51.5174.9000113.1
52H27.7Very low30.8Very low151 Ų151144.4 Ų144.470%0.69976%0.762SS**  71.6115.850.4-136.461.8000110.7
53Y27.5Very low31.4Very low174 Ų174140.1 Ų140.168%0.68276%0.761SS**  -160.1149.957.4-123.8-71.3000113.5
54Q30.2Very low31.4Very low160 Ų160144 Ų14475%0.74877%0.768SS**  trans57.2150.3152.8-92163.35.300120.3
55Q32.1Very low31.1Very low151 Ų151147.6 Ų147.671%0.70678%0.778SS**  cis-143.9140.811.9-115.9179-12.100111.6
56I31.9Very low31Very low141 Ų141149.8 Ų149.872%0.72379%0.787SS**  trans60132.3140.7-62.4166.3000120
57N28.6Very low30.8Very low147 Ų147144.6 Ų144.679%0.78679%0.788SS**  cis-164.9-177.1-24.5-136.13000111.3
58P38.4Very low30.7Very low74 Ų74143.8 Ų143.848%0.48180%0.795SS.*  trans-97.1-172.3-138.945.1-29.3000113.5
59Y30.9Very low30.4Very low201 Ų201145.8 Ų145.879%0.78879%0.794SS**  cis-128.4157.412.8-69.4-80000109.9
60Q28.1Very low30.7Very low169 Ų169147.3 Ų147.379%0.7979%0.789SS**  cis7712338.8-70.2-167.9-11.100116.9
61N27.2Very low30.6Very low160 Ų160149.9 Ų149.986%0.85679%0.788SS**  trans-160.6119.6145.5-129-19.6000111.1
62T27.6Very low30.5Very low137 Ų137147.2 Ų147.284%0.8478%0.784SS**  trans-146.9156.7169.250.80000109.9
63P41.8Very low30.3Very low123 Ų123145.4 Ų145.480%0.79979%0.788SS**  trans-111.4-179.2-137.441.2-37.6000116.5
64K32.5Very low30.3Very low207 Ų207142.8 Ų142.890%0.980%0.795SS**  trans-134.4154.2163.6-78-173.2176.1178.50111.8
65L26.6Very low30.1Very low170 Ų170139.6 Ų139.689%0.8980%0.796SS**  trans-82160.2171.6-58.191.9000111.6
66V32.1Very low30Very low145 Ų145139.1 Ų139.188%0.87980%0.804SS**  -177.1132.7122.4143.40000111.9
67G29Very low29.9Very low83 Ų83140.1 Ų140.186%0.85681%0.81SS**  trans71.3129.9142.300000121.8
68G27.9Very low30.1Very low77 Ų77144.3 Ų144.379%0.79482%0.815SS**  trans147.766.6155.100000119.1
69W26.3Very low29.9Very low243 Ų243145.8 Ų145.892%0.9283%0.825SS**  trans-134.6138.3163.7-88.853.7000109.2
70P34.5Very low29.8Very low112 Ų112143.5 Ų143.573%0.72783%0.825SS**  -126.9149.81110.921.6000112.2
71L28.6Very low29.8Very low152 Ų152142.1 Ų142.180%0.79682%0.822SS**  57135.282.3-58173.1000114.1
72S30.8Very low30.1Very low115 Ų115140.2 Ų140.280%0.80482%0.817SS**  cis-159.5170.82.250.60000111.6
73S24.2Very low30.2Very low113 Ų113140 Ų14079%0.7981%0.811SS**  trans-100.9144.8175.550.30000112.8
74S26.3Very low29.8Very low119 Ų119140.8 Ų140.883%0.83281%0.807SS**  trans175.1169.4145.346.60000112
75A26.3Very low29.6Very low93 Ų93137.6 Ų137.677%0.76980%0.799SS**  trans6492.6167.200000119
76V30.7Very low30Very low141 Ų141134.4 Ų134.486%0.85579%0.787SS**  -137.2130.5112.1178.80000108.9
77N29.8Very low30Very low162 Ų162136.5 Ų136.587%0.86679%0.785SS**  trans-132144.7159.6-117.4-25000107.3
78R32.5Very low30.1Very low234 Ų234138.2 Ų138.288%0.88377%0.774SS**  trans-71164.1178.1-69.3-176.7169.2-163.4-2.4111.4
79P34.9Very low30.3Very low105 Ų105141 Ų14168%0.68277%0.77SS**  -152.9175.4102.438.9-20.7000116.9
80L28.8Very low30.4Very low154 Ų154134.1 Ų134.181%0.80676%0.759SS**  trans72.4147.5163-45.8-174.6000118.1
81L27.5Very low30.3Very low139 Ų139136.3 Ų136.373%0.72876%0.759SS**  cis-161.2178.5-20.4-119.3174000111.2
82T33Very low30.3Very low120 Ų120136 Ų13674%0.73675%0.754SS**  trans74.1143.1176.476.80000116
83N30.3Very low30Very low134 Ų134136 Ų13672%0.71775%0.749SS**  cis-154.8154.9-14-123.2-3.8000112.2
84I33.1Very low30.2Very low139 Ų139138.5 Ų138.571%0.71375%0.752SS**  trans29.1119150.1-52.9160.3000118.3
85N28.7Very low30.4Very low139 Ų139136.3 Ų136.374%0.74374%0.741SS**  cis95.2149.616-154.216.6000118
86T34.3Very low30.5Very low104 Ų104139.5 Ų139.564%0.63875%0.745SS**  trans77.7146.8178.875.10000117.4L88T86-L88 HydrophobicContact CG2-CD1 4.34Å
87K32.2Very low30.3Very low189 Ų189137.8 Ų137.882%0.82274%0.739SS**  cis-97151.3-0.7-72.2-173.1173.8-171.50112.5
88L31.5Very low30.1Very low119 Ų119136.2 Ų136.262%0.62373%0.731SS**  cis72.9141.147.9-9264.7000113.4T86T86-L88 HydrophobicContact CG2-CD1 4.34Å
89D31.5Very low30.1Very low136 Ų136132.1 Ų132.173%0.72772%0.722SS**  cis-116.7-106.821.3-69.8-81.7000117.7
90S30Very low29.9Very low98 Ų98136.5 Ų136.569%0.68573%0.73SS**  trans-161-174.9-152.668.50000114.1
91H30.6Very low29.9Very low157 Ų157136.3 Ų136.373%0.72773%0.729SS**  cis-153.9173.97.4-129.4-60.5000113.4
92Q29.4Very low30.2Very low145 Ų145136.1 Ų136.168%0.67873%0.733SS**  trans-46135.7163.6-83.2155.3-38.800117.5
93T25.1Very low30.1Very low115 Ų115133.6 Ų133.671%0.70673%0.731SS**  86.1148.57662.60000118
94I27.9Very low30.3Very low166 Ų166133.2 Ų133.285%0.85173%0.734SS**  trans83.8135.2168.9-60.1163.1000115.5
95A31Very low30.3Very low73 Ų73132.1 Ų132.160%0.60374%0.739SS**  cis-168.6160.6-20.600000113.6
96N28.1Very low30.2Very low161 Ų161128.9 Ų128.986%0.86174%0.739SS**  trans69.5161.7149.2-64.4-2.3000123.5
97S26.6Very low30.1Very low105 Ų105131.4 Ų131.473%0.73475%0.748SS**  trans-57.8167.2-178.852.50000115.7
98D26.1Very low29.8Very low128 Ų128133 Ų13368%0.68475%0.749SS**  cis-164.5171.632.9-150.10.9000115.6
99Q32.3Very low29.7Very low149 Ų149134.8 Ų134.870%0.69676%0.757SS**  trans59.5106.5151.5-78.11706000125.2
100F29.8Very low29.7Very low196 Ų196135.3 Ų135.386%0.8676%0.759SS**  72.6156.7113.7-97.8-85.8000126.2
101I30Very low29.4Very low150 Ų150137.3 Ų137.377%0.76976%0.762SS**  trans76128.2167.5-45.5-165.5000116.1
102T33.4Very low29.2Very low135 Ų135139.6 Ų139.683%0.82877%0.765SS**  cis-129.6168.5-918.70000107.6
103G30.3Very low29Very low67 Ų67142 Ų14269%0.69177%0.769SS**  cis143.7147.31400000107.3
104T34.6Very low29Very low127 Ų127142.8 Ų142.878%0.77977%0.769SS**  cis-154.8150.616.249.60000112.1
105S33.6Very low28.9Very low115 Ų115141.2 Ų141.280%0.80476%0.763SS**  trans35.5137.9149.556.70000121
106G26.7Very low28.6Very low72 Ų72145 Ų14574%0.74277%0.773SS**  cis102.2140.247.800000108.9
107D30.7Very low28.5Very low157 Ų157142.2 Ų142.284%0.8477%0.766SS**  cis-148.9-172.628.1-137-44.3000113.8
108R26.3Very low28.5Very low222 Ų222144 Ų14484%0.83877%0.768SS**  trans-81.2155.2-177.4-58161170.7155.6-4.9114
109I30.3Very low28.6Very low156 Ų156148.7 Ų148.780%0.878%0.777SS**  trans-171.7127.2131.6-100.2152.8000113.6
110I29.9Very low28.5Very low147 Ų147146.9 Ų146.975%0.75477%0.771SS**  trans29.6138.7143.3-36.9177.7000121.5
111N24.5Very low28.5Very low140 Ų140147.3 Ų147.375%0.74978%0.775SS**  trans-46.9152.7162.1-56.5-20.6000114.1
112Y26.5Very low28.4Very low205 Ų205147 Ų14780%0.80478%0.775SS**  178.7145.4109.9-109.5-90000112.5
113Y26Very low28.2Very low195 Ų195145.4 Ų145.477%0.76578%0.776SS**  trans7.6128.3157.3-86.3-104.3000122.9
114N24.8Very low28.1Very low132 Ų132146 Ų14671%0.70678%0.782SS**  64.7149.7129.7-89.811.2000124.7
115N26.3Very low27.8Very low133 Ų133147.4 Ų147.471%0.71178%0.783SS**  trans75.4101.7151.8-66.72.2000119.9
116N24Very low27.6Very low153 Ų153147.6 Ų147.682%0.81879%0.785SS**  33.799.4120.5-65.5-3.9000117.8
117S26Very low27.6Very low103 Ų103149.3 Ų149.372%0.7279%0.785SS**  -178.6143.1105.3-78.20000111.3
118N26.6Very low27.6Very low143 Ų143148.5 Ų148.577%0.76579%0.786SS**  trans161.7104.2134.1-87.5-50.4000112.3
119Y28.3Very low27.7Very low226 Ų226144.2 Ų144.289%0.88679%0.785SS**  trans-102.392.3133.2-100.6-95.9000105.6
120I30.2Very low27.7Very low111 Ų111143.1 Ų143.157%0.56979%0.785SS**  63.499.497.3-62.2166000111.6
121H29.2Very low27.9Very low204 Ų204141.7 Ų141.794%0.94478%0.783SS**  trans-132.5119.5130.8-115.9-87.9000107.9
122N27.4Very low28.1Very low143 Ų143142.3 Ų142.377%0.76579%0.786SS**  trans-150.3116.4-174.5-177.615.6000110.2
123A29.6Very low28.5Very low103 Ų103140.4 Ų140.485%0.85179%0.79SS**  trans-169.5127162.400000109.1
124G27.6Very low28.7Very low79 Ų79138 Ų13881%0.81479%0.791SS**  trans166.534.8-179.100000115.6
125I29.2Very low29.1Very low157 Ų157138.6 Ų138.681%0.80580%0.799SS**  trans-106.5123.7-179.8-55174000109.9
126S29.1Very low29.4Very low119 Ų119139.2 Ų139.283%0.83280%0.802SS**  trans-155.7112.2153.560.70000110.3
127S28Very low29.6Very low107 Ų107139.9 Ų139.975%0.74881%0.806SS**  trans-126133.816653.40000109.1
128T30.2Very low29.7Very low141 Ų141140.4 Ų140.487%0.86581%0.81SS**  trans-121.8121.6177.147.40000109
129T27.6Very low29.8Very low132 Ų132139.3 Ų139.381%0.8181%0.813SS**  trans-116.1134.1-178.543.20000111
130V31.3Very low29.8Very low132 Ų132131.6 Ų131.680%0.880%0.803SS**  trans-139.1107.6170.9178.60000109.2
131T33.7Very low29.7Very low117 Ų117135.9 Ų135.972%0.71882%0.818SS**  trans29.2113.1157.659.70000119.5
132N29.2Very low29.8Very low153 Ų153133.8 Ų133.882%0.81881%0.81SS**  65117.774.7-76.5-2.4000116.5
133N34Very low30Very low166 Ų166133.1 Ų133.189%0.88881%0.807SS**  -163.2156.9122.8-105.3-30.7000112.6
134N30.5Very low30Very low145 Ų145135 Ų13578%0.77580%0.802SS**  trans-93155.3-170.4-62.7-47.8000113.8
135T34Very low30.2Very low144 Ų144139.6 Ų139.688%0.88381%0.808SS**  -179.2162.6112.825.60000113.1
136N31.2Very low30.2Very low145 Ų145137.5 Ų137.578%0.77581%0.807SS**  trans-93.7150.5-171.5-50.8-34.6000113.2
137N29.1Very low30.7Very low168 Ų168136.9 Ų136.990%0.89880%0.803SS**  177.4167.5110.8-92.9-15.2000113.5
138S27.9Very low30.8Very low114 Ų114138.3 Ų138.380%0.79780%0.802SS**  trans-133.2132-168.458.90000115
139S29.5Very low30.9Very low120 Ų120139 Ų13984%0.83980%0.798SS**  trans-160143.3158.747.20000106.5
140G28.4Very low31.1Very low64 Ų64139 Ų13966%0.6680%0.798SS**  cis98.3126.442.800000107.8
141F28.2Very low31.1Very low201 Ų201136.5 Ų136.588%0.88279%0.791SS**  cis-163.5177.525.1-101.8-92.7000112.4
142M30.4Very low31.1Very low159 Ų159138.8 Ų138.878%0.78379%0.793SS**  trans101.7116.7148.5-57.9-145.3171.600122.4
143N31.1Very low31.2Very low130 Ų130137.5 Ų137.570%0.69579%0.786SS**  59.3111.3129.9-620.1000123.5
144N29.6Very low31Very low143 Ų143135.1 Ų135.177%0.76578%0.783SS**  50.1123.9120.5-56.85.2000121.5
145N33.3Very low31.5Very low174 Ų174134.1 Ų134.193%0.9378%0.784SS**  -146.2147124.2-112.7-23.1000110.1
146S28.9Very low31.1Very low113 Ų113138.9 Ų138.979%0.7979%0.786SS**  trans-159.5137.3-175.956.90000112.4
147S38.6Very low31Very low106 Ų106143.2 Ų143.274%0.74179%0.792SS**  trans-154.1109.5165.852.70000106.5
148D30.6Very low31.3Very low138 Ų138141 Ų14174%0.73879%0.789SS**  64.913284-84.8-19.3000112.9
149M31.9Very low31.8Very low156 Ų156140.2 Ų140.277%0.76878%0.781SS**  cis-91.7-173.83.6-80-75.9149.200111.4
150T32.9Very low31.9Very low132 Ų132146 Ų14681%0.8179%0.785SS**  cis-147.5175.726.655.40000114.8
151A31.1Very low32Very low79 Ų79148.3 Ų148.365%0.65379%0.786SS**  trans-66.2152.8172.200000113.7
152Q33.7Very low32.2Very low165 Ų165144.5 Ų144.577%0.77178%0.779SS**  cis-159.3152.81.5-124.4177.237.400113.5
153N30.9Very low32.1Very low125 Ų125143.3 Ų143.367%0.66878%0.776SS**  trans65.180.2146.6-63-23.3000122.4
154S29.8Very low32.2Very low117 Ų117142.6 Ų142.682%0.81878%0.776SS**  25.9140117.9-54.50000123.1
155P40.7Very low32Very low123 Ų123143 Ų14380%0.79978%0.779SS**  trans-95.1149.2175.337.4-34.8000115.1
156R25.1Very low31.8Very low245 Ų245145.8 Ų145.893%0.92578%0.778SS**  trans172.8120.7148.1-103.6171.1-175.4-113.53.3112.1
157R29.9Very low31.8Very low236 Ų236144.7 Ų144.789%0.89177%0.77SS**  trans166.4131.7131.3-96174.7-177.5-154.21.9113.4
158S34.7Very low31.2Very low121 Ų121143 Ų14385%0.84676%0.755SS**  trans-129.1140.4138.4-480000106.5
159P38.7Very low31Very low98 Ų98140.4 Ų140.464%0.63674%0.741SS**  trans-152.8139.8133.234.5-17000115.6
160R31.3Very low30.8Very low240 Ų240134.7 Ų134.791%0.90672%0.715SS**  trans63.2154.2150.7-66.6-175.4166.9163.3-4.6116.6
161T31.2Very low30.5Very low114 Ų114135.6 Ų135.670%0.69972%0.715SS**  cis-159.8162-9.518.70000105.5
162V32.1Very low30.4Very low121 Ų121136.3 Ų136.373%0.73372%0.721SS**  cis-154.1138.145.7169.40000109.9
163N29.1Very low30.2Very low134 Ų134134.2 Ų134.272%0.71772%0.719SS**  trans22.4149.5147.1-56.95000122.5
164T31.6Very low30.1Very low114 Ų114136.4 Ų136.470%0.69973%0.725SS**  cis-166.6149.7-6.519.20000110.2
165N26.2Very low30.1Very low153 Ų153136.3 Ų136.382%0.81873%0.725SS**  trans-78.4150.6155.1-64-20.4000110.5
166Y30Very low29.7Very low232 Ų232136.8 Ų136.891%0.9173%0.726SS**  trans-167.5167.6140-101.6-62.5000110.4
167S27.3Very low29.8Very low90 Ų90135 Ų13563%0.62972%0.72SS**  trans-154173.6-167.848.90000114
168V26.6Very low29.7Very low71 Ų71129.9 Ų129.943%0.4371%0.711SS.*  trans89.3108.4160-162.60000118.1H14 Q15 H16H14-V168 CarbonylContact C-O 3.16Å; Q15-V168 CarbonylContact C-O 3.2Å; Q15-V168 WeakPolarHBondContact CA-O 3.49Å; Q15-V168 PolarHBondContact N-O 3.25Å; H16-V168 PolarHBondContact N-O 3.28Å; H16-V168 CarbonylContact O-C 3.23Å; H16-V168 VanDerWaalsContact O-C 3.23Å
169N26.1Very low30Very low82 Ų82129 Ų12944%0.43970%0.702SS.*  trans90.5159.4138.9-1411.5000125.5H14 Q15 H16H14-N169 WeakPolarHBondContact O-CB 3.42Å; H14-N169 PolarHBondContact O-ND2 2.95Å; Q15-N169 CarbonylContact C-O 3.54Å; Q15-N169 HydrophobicContact CG-CB 4.26Å; H16-N169 CarbonylContact C-O 3.49Å; H16-N169 VanDerWaalsContact C-O 3.28Å; H16-N169 WeakPolarHBondContact CA-O 3.34Å; H16-N169 PolarHBondContact N-O 2.85Å; H16-N169 PolarHBondContact O-N 2.93Å
170T28.8Very low29.5Very low36 Ų36131 Ų13122%0.22171%0.706CS.*  trans47.4118.9163.261.80000125.2Q15Q15-T170 VanDerWaalsContact CB-OG1 3.3Å; Q15-T170 WeakPolarHBondContact CB-OG1 3.47Å; Q15-T170 HydrophobicContact CG-CG2 4.16Å; Q15-T170 WeakPolarHBondContact CG-OG1 3.4Å; Q15-T170 PolarHBondContact NE2-OG1 3.35Å; Q15-T170 PolarHBondContact OE1-OG1 2.81Å
171N25.4Very low29.4Very low151 Ų151127.9 Ų127.981%0.80770%0.702SS**  54.5148.3108.3-49.9-5.6000124.5
172A29.6Very low29.1Very low94 Ų94127.7 Ų127.778%0.77771%0.705SS**  trans76138.5160.600000118.5
173V30.3Very low29Very low121 Ų121128.3 Ų128.373%0.73371%0.713SS**  cis-155.6140-9.1116.10000111.4
174E27.3Very low29.2Very low171 Ų171126.1 Ų126.180%0.79971%0.714SS**  trans51.6166.8154.2-62-174.4116.600125.1
175S30.6Very low29.7Very low115 Ų115126 Ų12680%0.80472%0.715SS**  trans76125.7176.278.50000116.2
176T31.8Very low30Very low133 Ų133126.6 Ų126.682%0.81672%0.716SS**  cis-145.4165.3-3.8-46.10000111.5
177Y27.9Very low30.1Very low207 Ų207118.9 Ų118.981%0.81271%0.708SS**  trans-46.6136.8177.3-90.5-123.3000114.8
178N27.6Very low30.5Very low129 Ų129118.7 Ų118.769%0.6972%0.72SS**  76.7147.867-94.9-19000114.9
179P39.7Very low30.7Very low102 Ų102118.8 Ų118.866%0.66274%0.735SS**  cis-141.3-156.8-49.131.7-7.9000112.8
180I29.5Very low31.2Very low142 Ų142121.4 Ų121.473%0.72875%0.754SS**  trans101.5106.7158.8-56.2175.7000118.7
181E28.1Very low31.5Very low173 Ų173127.9 Ų127.981%0.80878%0.781SS**  trans46.1119.1138.9-56.6-178.2137.200123.7
182S25.3Very low32Very low110 Ų110124.6 Ų124.677%0.76978%0.775SS**  trans54.7103.114163.80000120.7
183C30.2Very low32.1Very low135 Ų135124.6 Ų124.691%0.91277%0.77SS**  -171148.6120.2-104.20000112.3
184A33.7Very low32.1Very low88 Ų88125.9 Ų125.973%0.72778%0.777SS**  trans-109.5177.4159.700000107.4
185P40.8Very low32Very low110 Ų110122.5 Ų122.571%0.71477%0.773SS**  cis-142.8-149.813.334.9-8.9000114.2
186I33.5Very low32Very low166 Ų166122.7 Ų122.785%0.85177%0.769SS**  trans85.5127.9166.2-49.5167.2000115.2
187G32.4Very low31.7Very low71 Ų71124.7 Ų124.773%0.73277%0.769SS**  cis175.4166.9-6.300000115.3
188G34.5Very low31.7Very low85 Ų85119.8 Ų119.888%0.87676%0.763SS**  trans87.1132.7-177.500000113.4
189G32.5Very low31.7Very low74 Ų74118.5 Ų118.576%0.76376%0.764SS**  cis130.1157.94.900000111
190V36Very low31.3Very low136 Ų136118.2 Ų118.282%0.82477%0.765SS**  cis-158.2141.3-1.1171.70000105.1
191Q35.8Very low31.4Very low172 Ų172117.5 Ų117.580%0.80476%0.762SS**  cis-131.6-137.74.9-147.8175.5-4.300107.3
192A34.4Very low31.6Very low82 Ų82116 Ų11668%0.67876%0.759SS**  cis-166.1168.8-13.100000108.5
193S32.3Very low31.8Very low94 Ų94117.2 Ų117.266%0.65776%0.761SS**  cis-178136.7-45.2520000110
194V29.7Very low31.8Very low148 Ų148121.7 Ų121.790%0.89776%0.759SS**  cis-160.7167-28.5105.70000107
195S24.7Very low32.1Very low101 Ų101123 Ų12371%0.70676%0.76SS**  trans-141.6173.7-178.7-168.10000112.6
196V31.2Very low31.6Very low118 Ų118127.3 Ų127.372%0.71577%0.768SS**  trans57.5124.9165.6-96.60000121.1
197H25.5Very low31.4Very low176 Ų176123.5 Ų123.582%0.81576%0.756SS**  51.5167.5124.8-77.6-119000120.4
198C28Very low31.4Very low104 Ų104126.5 Ų126.570%0.70376%0.76SS**  cis-153.9175.27.2-140.60000114.3
199S28Very low31.3Very low101 Ų101127.4 Ų127.471%0.70675%0.753SS**  trans-40.3167154-650000117.1
200S31.6Very low31.3Very low96 Ų96131.3 Ų131.367%0.67176%0.755SS**  cis-174.3-173.2-8.8-92.60000110.5
201N31.3Very low31.4Very low127 Ų127130.4 Ų130.468%0.67975%0.752SS**  trans90.3113.8160.9-59.4-12.2000117.2
202I31.4Very low31.3Very low143 Ų143127 Ų12773%0.73375%0.747SS**  86.2129.275.8-74.9165.6000111.7
203V30.8Very low31.3Very low135 Ų135129 Ų12982%0.81875%0.751SS**  cis-152.7169.1-5123.50000110.7
204R29.7Very low31.3Very low228 Ų228130 Ų13086%0.8675%0.753SS**  trans-77.4171.2-175.2-56176.7-179.1166.1-1.1115.3
205P41Very low31.6Very low117 Ų117129 Ų12976%0.7675%0.747SS**  -139.2168.1108.538-26000118.1
206F30.5Very low32.1Very low199 Ų199130 Ų13087%0.87375%0.749SS**  trans-32.1163.1168.6-61.9-92.4000119.6
207S29.1Very low32.3Very low87 Ų87131.5 Ų131.561%0.60876%0.759SS**  cis-177.1179.8-15.5580000112.1
208T31.1Very low33Very low134 Ų134127 Ų12782%0.82275%0.753SS**  trans72.6148.5173.870.80000116.8
209S32.3Very low33.5Very low103 Ų103128.1 Ų128.172%0.7276%0.756SS**  cis-161.8143.3-1246.30000113.3
210I33.4Very low33.8Very low157 Ų157129.7 Ų129.781%0.80576%0.755SS**  18.8136.7129.8-67.9168.1000117.6
211P38.7Very low33.9Very low116 Ų116134.9 Ų134.975%0.75377%0.767SS**  cis-140.6-179.243.724.12.4000120.2
212S32.6Very low34Very low102 Ų102133.7 Ų133.771%0.71377%0.768SS**  trans-47.3157.2173.4460000119.2
213T33.9Very low34.2Very low123 Ų123130 Ų13076%0.75577%0.765SS**  cis-156.2-131-4.724.30000109.5
214T33.7Very low34.4Very low114 Ų114129.8 Ų129.870%0.69976%0.759SS**  cis-169.5152.72.5-17.80000112.4
215T36.5Very low34.8Very low127 Ų127125.1 Ų125.178%0.77976%0.756SS**  trans41.6142.4148.6-55.20000122.7
216T34.9Very low34.5Very low122 Ų122125.1 Ų125.175%0.74875%0.749SS**  cis176.1134.2-33.7-83.70000108.5
217T34.8Very low34.9Very low150 Ų150120.3 Ų120.392%0.9274%0.74SS**  trans-155.9163.1166.711.60000113.5
218A39.3Very low35.4Very low83 Ų83122.4 Ų122.469%0.68675%0.75SS**  trans-164.2169.2-167.700000109.2
219T38.5Very low35.6Very low126 Ų126123.1 Ų123.177%0.77375%0.748SS**  cis-177.7177.8-12.933.80000105.5
220I35.7Very low35.8Very low134 Ų134127.4 Ų127.469%0.68775%0.753SS**  cis-161.4167.61.7-128.6163.8000106.8
221F32.9Very low35.8Very low206 Ų206126.4 Ų126.490%0.90475%0.75SS**  trans-155.6152.5150.3-124.9-80.4000115.5
222S33Very low35.5Very low101 Ų101129.4 Ų129.471%0.70675%0.751SS**  trans-155.2174.7-166.1-490000113.9
223G35.7Very low35.6Very low65 Ų65131.4 Ų131.467%0.6776%0.759SS**  trans138.7164.8151.100000115.4
224N36.2Very low35.3Very low132 Ų132134.7 Ų134.771%0.70676%0.763SS**  cis-152.2-179.1-18.9-103.436.3000106.6D226N224-D226 PolarHBondContact ND2-OD2 3.49Å
225V38.3Very low35.1Very low129 Ų129135.2 Ų135.278%0.78277%0.766SS**  -168.4119.157.6171.50000105.9
226D34.7Very low35.2Very low117 Ų117134.3 Ų134.363%0.62676%0.763SS**  71140.876.1-66.8-60000116.1N224N224-D226 PolarHBondContact ND2-OD2 3.49Å
227S38.8Very low34.9Very low98 Ų98133.9 Ų133.969%0.68577%0.765SS**  cis-167.7-129.9-15.362.10000111.5
228T38.6Very low34.5Very low131 Ų131137.6 Ų137.680%0.80476%0.761SS**  trans84.5178.9172.679.70000120.1
229L35.1Very low34Very low150 Ų150140.1 Ų140.179%0.78576%0.762SS**  trans-162.7165.8-137.6-84.5164.7000116.6
230K37.6Very low33.5Very low192 Ų192140.6 Ų140.684%0.83576%0.76SS**  trans111.7125.2158.1-60.4170.4-171.8177.10115.2
231N32.4Very low33.3Very low137 Ų137140.6 Ų140.673%0.73376%0.761SS**  cis95.9142.526.3-74.8-33.2000115.4
232K32.3Very low33Very low178 Ų178142.5 Ų142.577%0.77476%0.763SS**  cis179116.2-18.7178.6177.7-174.7178.70111.1
233T34.5Very low32.8Very low144 Ų144143.9 Ų143.988%0.88377%0.772SS**  trans-162.5173.9166.17.80000113.4
234F27.4Very low32.6Very low193 Ų193145.6 Ų145.685%0.84677%0.774SS**  trans-124.7162.4-173.7-84.3-174.1000109.4
235V29.4Very low32.3Very low124 Ų124145.9 Ų145.975%0.75278%0.78SS**  cis-168.7-177.6-4-92.20000106.3
236P39Very low31.9Very low109 Ų109144.1 Ų144.171%0.70877%0.774SS**  cis-132.2-179.3-1.942.1-25.4000116.7
237S29.2Very low31.6Very low113 Ų113145.9 Ų145.979%0.7978%0.783SS**  trans90.5140151.6820000121.5
238R26.6Very low31.3Very low227 Ų227148.6 Ų148.686%0.85778%0.784SS**  trans60.3111.7165.7-74.9-170.8173-167.8-0.9122.1
239I28.3Very low30.8Very low136 Ų136149.3 Ų149.370%0.69778%0.779SS**  88.4140.3127.2-66.1171.1000120.3
240N28.8Very low30.4Very low136 Ų136148.2 Ų148.273%0.72778%0.778SS**  trans83.6130.7163.5-80.3-4.3000123.2
241N30.6Very low30Very low134 Ų134145.6 Ų145.672%0.71778%0.778SS**  trans42.3124.1152.5-57.3-18000120.3
242R25.8Very low29.8Very low247 Ų247143.4 Ų143.493%0.93278%0.779SS**  62.5103.853-77.2-168.1166.8-174.4-2.1115.1
243S29.9Very low29.8Very low130 Ų130143.2 Ų143.291%0.90979%0.785SS**  trans-148.2-175.9153.463.60000108.9
244S30.6Very low29.5Very low101 Ų101141.2 Ų141.271%0.70678%0.777SS**  trans-139.2146.4-156.254.90000114.4
245V30.8Very low29.6Very low138 Ų138139.7 Ų139.784%0.83677%0.772SS**  trans65.1133.3152170.80000116.1
246S30.1Very low29.8Very low92 Ų92142.1 Ų142.164%0.64377%0.773SS**  cis-172.4158.8-11.552.10000108.7
247N28.7Very low29.5Very low153 Ų153144 Ų14482%0.81877%0.772SS**  trans-169.7167.1144.4-105.9-29.4000116.5
248H31.5Very low29.7Very low155 Ų155145 Ų14572%0.71877%0.768SS**  trans-57.4179.6177-71.4-98.9000116.2
249Q28.1Very low29.8Very low146 Ų146141.1 Ų141.168%0.68277%0.765SS**  cis166.1139.3-30.1-173.5-172.1-5.300107.8
250T26.7Very low30Very low127 Ų127142.7 Ų142.778%0.77977%0.772SS**  trans62.4171.4171.520.70000115.6
251V29.7Very low29.9Very low138 Ų138141.5 Ų141.584%0.83678%0.775SS**  cis-134.3163.111.6-175.10000110
252A28.9Very low30Very low91 Ų91140.7 Ų140.775%0.75278%0.78SS**  trans-110.5163.5174.800000113.8
253I31.9Very low30.2Very low174 Ų174137.7 Ų137.789%0.89278%0.776SS**  trans-126.5142.6176.9-68.2-180000111.1
254S27.1Very low30.6Very low102 Ų102137 Ų13771%0.71377%0.768SS**  trans-105.8162.2175.3-1640000108.8
255Q29.3Very low31.3Very low161 Ų161137.6 Ų137.675%0.75277%0.77SS**  -173.2163.652.9-63.4172-13.800109.7
256K34.1Very low31.7Very low174 Ų174136.4 Ų136.476%0.75777%0.765SS**  165.9126.7116.6-92.4-175.5163.3-177.10116.7
257H33.2Very low32.3Very low149 Ų149137.4 Ų137.469%0.6977%0.769SS**  trans72.1135.8139.5-76.3-65.6000125.7
258N33.3Very low32.7Very low134 Ų134136 Ų13672%0.71777%0.768SS**  trans91.689.7142-65.70.4000122.4
259N29.5Very low32.9Very low146 Ų146136.1 Ų136.178%0.78177%0.774SS**  32.3114.2112.8-76.310.2000120.6
260I32.7Very low33.3Very low168 Ų168134.3 Ų134.386%0.86278%0.775SS**  167152.8112.3-89.5154.3000110.4
261S26.3Very low33.4Very low111 Ų111135.9 Ų135.978%0.77677%0.773SS**  trans-115.2136.6175.576.20000113.2
262S32.7Very low33.2Very low118 Ų118135.3 Ų135.383%0.82576%0.764SS**  trans-168.8152.2150.348.30000113.3
263H29.9Very low33.3Very low184 Ų184138.4 Ų138.485%0.85276%0.764SS**  trans-99.7174.6170-104.9-67.2000109.3
264P38.1Very low33.2Very low114 Ų114136.6 Ų136.674%0.7475%0.751SS**  cis-129.3-129.8-9.440.6-18000112.9
265P45.3Very low33.3Very low114 Ų114138.1 Ų138.174%0.7475%0.747SS**  trans-113.8-139.3-150.334.5-6.4000112.5
266P38.7Very low33.6Very low114 Ų114137.7 Ų137.774%0.7474%0.742SS**  -145.4-139.352.846.4-22000112.4
267P42.3Very low33.5Very low113 Ų113135.4 Ų135.473%0.73474%0.743SS**  trans-100.9-161.1-17647.4-43.5000112.9
268P37.4Very low33.6Very low123 Ų123132.7 Ų132.780%0.79975%0.747SS**  cis-144.1-163.77.845.4-23.5000118.3
269L35.9Very low33.5Very low158 Ų158133.4 Ų133.483%0.82775%0.75SS**  trans-85.8154.4163.8-84.6164.5000110.7
270P35.7Very low33.8Very low108 Ų108134.6 Ų134.670%0.70176%0.756SS**  -156.6163.564.544.6-24.2000120.5
271Q28.9Very low33.8Very low160 Ų160133.8 Ų133.875%0.74875%0.75SS**  trans61.2134.3135.6-78.7-174.9-14.900125.5
272L26.9Very low34.5Very low125 Ų125135.8 Ų135.865%0.65475%0.751SS**  trans78150.6130.8-75.4175.9000119.9
273Q29.5Very low34.8Very low157 Ų157137.1 Ų137.173%0.73475%0.749SS**  cis-142.1152.66.4-65-167.4-62.500114.2
274H29.9Very low35.2Very low135 Ų135136.1 Ų136.163%0.62575%0.75SS**  53159.3128.2-68.4-128.3000121.3
275E30.4Very low35.1Very low134 Ų134139.3 Ų139.363%0.62676%0.755SS**  cis-156-1775.2-126.9163.8-142.800109.1
276K34Very low34.8Very low153 Ų153138.4 Ų138.467%0.66576%0.757SS**  cis-165.2138.622.2-143.2178.5-176.179.10113.2
277T31.9Very low35.3Very low126 Ų126141.2 Ų141.277%0.77377%0.766SS**  trans52.3157.1145.751.70000121.4
278A35.6Very low35.6Very low92 Ų92144.9 Ų144.976%0.7677%0.773SS**  cis-146.4176.214.500000113.3
279D30.9Very low36.9Very low149 Ų149143.6 Ų143.680%0.79776%0.758SS**  trans-71163.3-178-51.5-94.3000116.4
280L36.5Very low38.8Very low170 Ų170139.6 Ų139.689%0.8974%0.74SS**  -160.5149.5116.4-106.1173000113.1
281M33.8Very low40.8Very low151 Ų151140.2 Ų140.274%0.74474%0.737SS**  trans-84.7151.3-166-55.6139.253.100114.8
282L40.3Very low43.3Very low153 Ų153137 Ų13780%0.80173%0.731SS**  172.7160.2106.4-91.7169.2000113.1
283D38.1Very low46.1Very low146 Ų146135.8 Ų135.878%0.78172%0.722SS**  trans-86.7158-170.7-47-98.4000115.5
284D38.3Very low48.7Very low164 Ų164132.9 Ų132.988%0.87771%0.711SS**  -159.3162.8115.5-147.3-18.5000111.5
285Q36.1Very low51.4Low181 Ų181135.1 Ų135.185%0.84671%0.714SS**  trans-116.1126.4-173.5-69.4-172.8-7.200114.5
286A39.3Very low54.3Low95 Ų95131.3 Ų131.379%0.78570%0.703SS**  trans-155110.816200000113.9E288A286-E288 PolarHBondContact O-N 3.22Å
287N50Low57Low172 Ų172127 Ų12792%0.9269%0.686SS**  trans47.849.8161.5-78-0.7000118.3M289N287-M289 PolarHBondContact O-N 3.1Å
288E47.4Very low59.7Low190 Ų190123 Ų12389%0.88867%0.666SS**  trans-70.2101.8161.1-70.4-153.4141.300111A286 T290A286-E288 PolarHBondContact O-N 3.22Å; E288-T290 PolarHBondContact O-N 3.49Å
289M65.3Low62.5Low96 Ų96122.4 Ų122.447%0.47365%0.648SS.*  trans-55.3125.1166.1-179.2-173.8-59.800109.1N287 E293 L294 I297N287-M289 PolarHBondContact O-N 3.1Å; M289-E293 HydrophobicContact CG-CB 3.77Å; M289-E293 HydrophobicContact SD-CB 4.37Å; M289-L294 HydrophobicContact CB-CG 4.49Å; M289-L294 HydrophobicContact CG-CD2 4.43Å; M289-L294 HydrophobicContact CG-CG 4.13Å; M289-L294 HydrophobicContact SD-CD2 3.57Å; M289-L294 VanDerWaalsContact SD-CD2 3.57Å; M289-L294 HydrophobicContact SD-CG 3.85Å; M289-I297 HydrophobicContact CE-CD1 4.15Å; M289-I297 HydrophobicContact SD-CD1 3.52Å; M289-I297 VanDerWaalsContact SD-CD1 3.52Å
290T77Confident65.5Low75 Ų75122.1 Ų122.146%0.4664%0.635SS.*  trans-64.2148.6-168.260.20000111.7E288 S292 E293 L294E288-T290 PolarHBondContact O-N 3.49Å; T290-S292 PolarHBondContact O-N 3.14Å; T290-E293 PolarHBondContact N-OE2 3.4Å; T290-E293 WeakPolarHBondContact O-CA 3.29Å; T290-E293 WeakPolarHBondContact O-CB 2.98Å; T290-E293 PolarHBondContact O-N 3.24Å; T290-E293 WeakPolarHBondContact OG1-CG 3.36Å; T290-E293 PolarHBondContact OG1-OE2 3.38Å; T290-L294 PolarHBondContact O-N 2.81Å
291I77.4Confident68.2Low121 Ų121119.4 Ų119.462%0.62162%0.618SS**Hα-helixtrans-54.2-30179.5-61.8172.4000111.5R295I291-R295 WeakPolarHBondContact O-CB 3.48Å; I291-R295 WeakPolarHBondContact O-CD 3.26Å; I291-R295 WeakPolarHBondContact O-CG 3.41Å; I291-R295 PolarHBondContact O-N 2.91Å; I291-R295 VanDerWaalsContact O-N 3.08Å
292S81.7Confident71Confident91 Ų91120.3 Ų120.364%0.63661%0.613SS**Hα-helixtrans-67.3-41.1173.3-60.30000113.5T290 R295 S296T290-S292 PolarHBondContact O-N 3.14Å; S292-R295 PolarHBondContact O-N 3.05Å; S292-S296 WeakPolarHBondContact O-CB 3.25Å; S292-S296 PolarHBondContact O-N 3.02Å
293E84.1Confident73.6Confident100 Ų100117.3 Ų117.347%0.46760%0.595SS.*Hα-helixtrans-70.8-42.6176.8-71.1168.6118.900111.7M289 T290 R295 S296 I297M289-E293 HydrophobicContact CG-CB 3.77Å; M289-E293 HydrophobicContact SD-CB 4.37Å; T290-E293 PolarHBondContact N-OE2 3.4Å; T290-E293 WeakPolarHBondContact O-CA 3.29Å; T290-E293 WeakPolarHBondContact O-CB 2.98Å; T290-E293 PolarHBondContact O-N 3.24Å; T290-E293 WeakPolarHBondContact OG1-CG 3.36Å; T290-E293 PolarHBondContact OG1-OE2 3.38Å; E293-R295 VanDerWaalsContact C-N 3.3Å; E293-R295 PolarHBondContact O-N 3.05Å; E293-S296 CarbonylContact O-C 3.59Å; E293-S296 WeakPolarHBondContact O-CA 3.3Å; E293-S296 WeakPolarHBondContact O-CB 3.42Å; E293-S296 PolarHBondContact O-N 3.47Å; E293-I297 WeakPolarHBondContact O-CG1 3.36Å; E293-I297 PolarHBondContact O-N 2.72Å
294L84Confident76.3Confident96 Ų96115.9 Ų115.950%0.50358%0.584SS.*Hα-helixtrans-57.9-42.8172.8-75.1169000111.4M289 T290 I297 A298M289-L294 HydrophobicContact CB-CG 4.49Å; M289-L294 HydrophobicContact CG-CD2 4.43Å; M289-L294 HydrophobicContact CG-CG 4.13Å; M289-L294 HydrophobicContact SD-CD2 3.57Å; M289-L294 VanDerWaalsContact SD-CD2 3.57Å; M289-L294 HydrophobicContact SD-CG 3.85Å; T290-L294 PolarHBondContact O-N 2.81Å; L294-I297 PolarHBondContact O-N 2.85Å; L294-A298 WeakPolarHBondContact O-CB 3.46Å; L294-A298 PolarHBondContact O-N 2.95Å
295R88Confident78.9Confident182 Ų182113.3 Ų113.369%0.68757%0.569SS**Hα-helixtrans-62.3-42.3171.9-74.3171-175.9-167.73.1112.2I291 S292 E293 I297 A298 E299I291-R295 WeakPolarHBondContact O-CB 3.48Å; I291-R295 WeakPolarHBondContact O-CD 3.26Å; I291-R295 WeakPolarHBondContact O-CG 3.41Å; I291-R295 PolarHBondContact O-N 2.91Å; I291-R295 VanDerWaalsContact O-N 3.08Å; S292-R295 PolarHBondContact O-N 3.05Å; E293-R295 VanDerWaalsContact C-N 3.3Å; E293-R295 PolarHBondContact O-N 3.05Å; R295-I297 PolarHBondContact O-N 2.87Å; R295-A298 PolarHBondContact O-N 3.48Å; R295-E299 VanDerWaalsContact O-CB 3.23Å; R295-E299 WeakPolarHBondContact O-CB 3.34Å; R295-E299 PolarHBondContact O-N 3.44Å
296S90.7Very high81.6Confident55 Ų55107.1 Ų107.139%0.38555%0.549SS..Hα-helixtrans-64.5-34.6176.9175.90000113.4S292 E293 R300S292-S296 WeakPolarHBondContact O-CB 3.25Å; S292-S296 PolarHBondContact O-N 3.02Å; E293-S296 CarbonylContact O-C 3.59Å; E293-S296 WeakPolarHBondContact O-CA 3.3Å; E293-S296 WeakPolarHBondContact O-CB 3.42Å; E293-S296 PolarHBondContact O-N 3.47Å; S296-R300 WeakPolarHBondContact O-CB 3.47Å; S296-R300 WeakPolarHBondContact O-CG 3.43Å; S296-R300 PolarHBondContact O-N 3Å; S296-R300 VanDerWaalsContact O-N 3.14Å; S296-R300 PolarHBondContact O-NE 2.81Å; S296-R300 PolarHBondContact OG-NE 3.04Å; S296-R300 PolarHBondContact OG-NH2 2.8Å
297I89.8Confident84.2Confident62 Ų62109.7 Ų109.732%0.31854%0.539SS..Hα-helixtrans-73.7-48.1175.6-68.2166.2000110.3M289 E293 L294 R295 E299 R300 Q301M289-I297 HydrophobicContact CE-CD1 4.15Å; M289-I297 HydrophobicContact SD-CD1 3.52Å; M289-I297 VanDerWaalsContact SD-CD1 3.52Å; E293-I297 WeakPolarHBondContact O-CG1 3.36Å; E293-I297 PolarHBondContact O-N 2.72Å; L294-I297 PolarHBondContact O-N 2.85Å; R295-I297 PolarHBondContact O-N 2.87Å; I297-E299 VanDerWaalsContact C-N 3.29Å; I297-E299 PolarHBondContact O-N 2.88Å; I297-R300 PolarHBondContact O-N 2.86Å; I297-Q301 WeakPolarHBondContact O-CG 3.06Å; I297-Q301 PolarHBondContact O-N 3.04Å
298A90.3Very high86.3Confident42 Ų42106.2 Ų106.235%0.34752%0.517SS..Hα-helixtrans-59.7-38.7177.200000112.3L294 R295 Q301 R302L294-A298 WeakPolarHBondContact O-CB 3.46Å; L294-A298 PolarHBondContact O-N 2.95Å; R295-A298 PolarHBondContact O-N 3.48Å; A298-Q301 PolarHBondContact O-N 2.83Å; A298-R302 WeakPolarHBondContact O-CG 3.46Å; A298-R302 PolarHBondContact O-N 2.68Å
299E94.1Very high88.4Confident80 Ų8099.9 Ų99.937%0.37450%0.497SS..Hα-helixtrans-70.9-39.8177.3-173.949.6-142.700112.1R295 I297 Q301 R302 Q303R295-E299 VanDerWaalsContact O-CB 3.23Å; R295-E299 WeakPolarHBondContact O-CB 3.34Å; R295-E299 PolarHBondContact O-N 3.44Å; I297-E299 VanDerWaalsContact C-N 3.29Å; I297-E299 PolarHBondContact O-N 2.88Å; E299-Q301 VanDerWaalsContact C-N 3.33Å; E299-Q301 PolarHBondContact O-N 3.42Å; E299-R302 WeakPolarHBondContact O-CB 3.44Å; E299-R302 PolarHBondContact O-N 2.73Å; E299-R302 IonicContact OE2-NH1 3.44Å; E299-Q303 VanDerWaalsContact O-CG 3.32Å; E299-Q303 WeakPolarHBondContact O-CG 3.43Å; E299-Q303 PolarHBondContact O-N 2.98Å; E299-Q303 PolarHBondContact OE1-NE2 2.85Å
300R93.8Very high89.8Confident142 Ų142101.4 Ų101.454%0.53650%0.503SS..Hα-helixtrans-61.5-39.7170.9-80.1178.5-77.5176.7-4.3112.3S296 I297 Q303 Q304S296-R300 WeakPolarHBondContact O-CB 3.47Å; S296-R300 WeakPolarHBondContact O-CG 3.43Å; S296-R300 PolarHBondContact O-N 3Å; S296-R300 VanDerWaalsContact O-N 3.14Å; S296-R300 PolarHBondContact O-NE 2.81Å; S296-R300 PolarHBondContact OG-NE 3.04Å; S296-R300 PolarHBondContact OG-NH2 2.8Å; I297-R300 PolarHBondContact O-N 2.86Å; R300-Q303 PolarHBondContact O-N 3.46Å; R300-Q304 PolarHBondContact O-N 2.78Å
301Q91.9Very high90.6Very high114 Ų114104 Ų10453%0.53351%0.51SS..Hα-helixtrans-63.8-43.9173.9-73.6176.6-15.800112I297 A298 E299 Q303 Q304 L305I297-Q301 WeakPolarHBondContact O-CG 3.06Å; I297-Q301 PolarHBondContact O-N 3.04Å; A298-Q301 PolarHBondContact O-N 2.83Å; E299-Q301 VanDerWaalsContact C-N 3.33Å; E299-Q301 PolarHBondContact O-N 3.42Å; Q301-Q303 VanDerWaalsContact C-N 3.35Å; Q301-Q303 PolarHBondContact O-N 3.02Å; Q301-Q304 PolarHBondContact O-N 2.81Å; Q301-Q304 VanDerWaalsContact O-N 3.16Å; Q301-L305 WeakPolarHBondContact O-CG 3.19Å; Q301-L305 PolarHBondContact O-N 3.44Å
302R93.4Very high91.2Very high170 Ų170103.6 Ų103.664%0.64251%0.508SS*.Hα-helixtrans-57.8-44.9172.9-76171.2171.9-177.4-3.4112.2A298 E299 Q304 L305 A306A298-R302 WeakPolarHBondContact O-CG 3.46Å; A298-R302 PolarHBondContact O-N 2.68Å; E299-R302 WeakPolarHBondContact O-CB 3.44Å; E299-R302 PolarHBondContact O-N 2.73Å; E299-R302 IonicContact OE2-NH1 3.44Å; R302-Q304 VanDerWaalsContact C-N 3.28Å; R302-Q304 PolarHBondContact O-N 2.98Å; R302-L305 PolarHBondContact O-N 2.97Å; R302-A306 WeakPolarHBondContact O-CB 3.31Å; R302-A306 PolarHBondContact O-N 2.75Å
303Q95.4Very high91.7Very high90 Ų90104.6 Ų104.642%0.42150%0.502SS..Hα-helixtrans-68.7-24.1177.8-68.7172.516.800113.5E299 R300 Q301 R307E299-Q303 VanDerWaalsContact O-CG 3.32Å; E299-Q303 WeakPolarHBondContact O-CG 3.43Å; E299-Q303 PolarHBondContact O-N 2.98Å; E299-Q303 PolarHBondContact OE1-NE2 2.85Å; R300-Q303 PolarHBondContact O-N 3.46Å; Q301-Q303 VanDerWaalsContact C-N 3.35Å; Q301-Q303 PolarHBondContact O-N 3.02Å; Q303-R307 WeakPolarHBondContact O-CG 3.32Å; Q303-R307 PolarHBondContact O-N 3.05Å; Q303-R307 PolarHBondContact O-NE 2.98Å
304Q94.3Very high92Very high115 Ų115102.4 Ų102.454%0.53750%0.501SS..Hα-helixtrans-76.9-45.2171.8-176.5171.5-11.200111.3R300 Q301 R302 R307 Q308R300-Q304 PolarHBondContact O-N 2.78Å; Q301-Q304 PolarHBondContact O-N 2.81Å; Q301-Q304 VanDerWaalsContact O-N 3.16Å; R302-Q304 VanDerWaalsContact C-N 3.28Å; R302-Q304 PolarHBondContact O-N 2.98Å; Q304-R307 PolarHBondContact O-N 2.57Å; Q304-Q308 PolarHBondContact O-N 3.3Å
305L92.1Very high92.2Very high110 Ų110105.9 Ų105.958%0.57651%0.508SS*.Hα-helixtrans-62.4-41.8175.2-69.8168.2000111.9Q301 R302 R307 Q308 A309Q301-L305 WeakPolarHBondContact O-CG 3.19Å; Q301-L305 PolarHBondContact O-N 3.44Å; R302-L305 PolarHBondContact O-N 2.97Å; L305-R307 PolarHBondContact O-N 2.72Å; L305-Q308 PolarHBondContact O-N 3.29Å; L305-A309 WeakPolarHBondContact O-CB 3.46Å; L305-A309 PolarHBondContact O-N 3.29Å
306A93.9Very high92.4Very high51 Ų51103.6 Ų103.642%0.42151%0.505SS..Hα-helixtrans-60.5-41.9175.400000112.3R302 A309 Q310R302-A306 WeakPolarHBondContact O-CB 3.31Å; R302-A306 PolarHBondContact O-N 2.75Å; A306-A309 PolarHBondContact O-N 3.06Å; A306-Q310 WeakPolarHBondContact O-CG 3.47Å; A306-Q310 PolarHBondContact O-N 2.84Å
307R94.7Very high92.5Very high150 Ų150106.2 Ų106.257%0.56651%0.511SS*.Hα-helixtrans-65.9-38.1174.7-81.5179.1-80175.9-9.4112.6Q303 Q304 L305 Q311Q303-R307 WeakPolarHBondContact O-CG 3.32Å; Q303-R307 PolarHBondContact O-N 3.05Å; Q303-R307 PolarHBondContact O-NE 2.98Å; Q304-R307 PolarHBondContact O-N 2.57Å; L305-R307 PolarHBondContact O-N 2.72Å; R307-Q311 WeakPolarHBondContact O-CG 3.42Å; R307-Q311 PolarHBondContact O-N 2.79Å; R307-Q311 VanDerWaalsContact O-N 3.09Å
308Q92.6Very high92.5Very high99 Ų99112 Ų11246%0.46353%0.529SS..Hα-helixtrans-66.5-41.5173.4-73.9-177.1-18.500112Q304 L305 Q310 Q311 L312Q304-Q308 PolarHBondContact O-N 3.3Å; L305-Q308 PolarHBondContact O-N 3.29Å; Q308-Q310 PolarHBondContact O-N 3.15Å; Q308-Q311 PolarHBondContact O-N 3.38Å; Q308-L312 WeakPolarHBondContact O-CG 3.46Å; Q308-L312 PolarHBondContact O-N 2.95Å
309A92.9Very high92.3Very high56 Ų56118.1 Ų118.146%0.46354%0.543SS..Hα-helixtrans-60.4-44.6175.500000111.9L305 A306 Q311 L312 Q313L305-A309 WeakPolarHBondContact O-CB 3.46Å; L305-A309 PolarHBondContact O-N 3.29Å; A306-A309 PolarHBondContact O-N 3.06Å; A309-Q311 PolarHBondContact O-N 3.28Å; A309-L312 PolarHBondContact O-N 2.96Å; A309-Q313 WeakPolarHBondContact O-CB 3.38Å; A309-Q313 PolarHBondContact O-N 3.21Å
310Q94.6Very high92.1Very high129 Ų129116.8 Ų116.860%0.60355%0.546SS*.Hα-helixtrans-60.9-41.6174.2-74175.3-23.200112.6A306 Q308 L312 Q313 A314A306-Q310 WeakPolarHBondContact O-CG 3.47Å; A306-Q310 PolarHBondContact O-N 2.84Å; Q308-Q310 PolarHBondContact O-N 3.15Å; Q310-L312 VanDerWaalsContact C-N 3.35Å; Q310-Q313 PolarHBondContact O-N 2.99Å; Q310-A314 WeakPolarHBondContact O-CB 3.5Å; Q310-A314 PolarHBondContact O-N 3.19Å
311Q92.2Very high91.9Very high130 Ų130117.9 Ų117.961%0.60755%0.55SS**Hα-helixtrans-67.1-33.6175.6-74.4-175.5-2.400113.2R307 Q308 A309 R315R307-Q311 WeakPolarHBondContact O-CG 3.42Å; R307-Q311 PolarHBondContact O-N 2.79Å; R307-Q311 VanDerWaalsContact O-N 3.09Å; Q308-Q311 PolarHBondContact O-N 3.38Å; A309-Q311 PolarHBondContact O-N 3.28Å; Q311-R315 WeakPolarHBondContact O-CB 3.13Å; Q311-R315 WeakPolarHBondContact O-CG 3.11Å; Q311-R315 PolarHBondContact O-N 2.73Å
312L90.5Very high91.6Very high112 Ų112116.9 Ų116.959%0.58655%0.548SS*.Hα-helixtrans-70.2-45.7174.2-72.5170.6000111.1Q308 A309 Q310 A314 R315 E316Q308-L312 WeakPolarHBondContact O-CG 3.46Å; Q308-L312 PolarHBondContact O-N 2.95Å; A309-L312 PolarHBondContact O-N 2.96Å; Q310-L312 VanDerWaalsContact C-N 3.35Å; L312-A314 PolarHBondContact O-N 3.38Å; L312-R315 WeakPolarHBondContact O-CB 3.26Å; L312-R315 PolarHBondContact O-N 2.98Å; L312-R315 VanDerWaalsContact O-N 3.16Å; L312-E316 PolarHBondContact O-N 3.13Å
313Q93.2Very high91.3Very high111 Ų111117.3 Ų117.352%0.51955%0.55SS..Hα-helixtrans-57.1-50.5175.1-176.8-177.2-2400111.3A309 Q310 R315 E316 E317A309-Q313 WeakPolarHBondContact O-CB 3.38Å; A309-Q313 PolarHBondContact O-N 3.21Å; Q310-Q313 PolarHBondContact O-N 2.99Å; Q313-R315 VanDerWaalsContact C-N 3.26Å; Q313-R315 PolarHBondContact O-N 2.92Å; Q313-E316 PolarHBondContact O-N 2.76Å; Q313-E317 HydrophobicContact CG-CG 4.39Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.43Å; Q313-E317 PolarHBondContact NE2-OE1 2.93Å; Q313-E317 WeakPolarHBondContact O-CG 3.42Å; Q313-E317 PolarHBondContact O-N 3.36Å
314A90.5Very high90.9Very high54 Ų54116.2 Ų116.245%0.44655%0.552SS.*Hα-helixtrans-62-31.5178.200000113.2Q310 L312 R318Q310-A314 WeakPolarHBondContact O-CB 3.5Å; Q310-A314 PolarHBondContact O-N 3.19Å; L312-A314 PolarHBondContact O-N 3.38Å; A314-R318 WeakPolarHBondContact O-CB 3.13Å; A314-R318 PolarHBondContact O-N 2.83Å; A314-R318 VanDerWaalsContact O-N 3.13Å
315R87.8Confident90.5Very high169 Ų169114.5 Ų114.564%0.63855%0.546SS*.Hα-helixtrans-72.3-34.7172.5-81.8175.1162.3179.3-4.4112.5Q311 L312 Q313 R319Q311-R315 WeakPolarHBondContact O-CB 3.13Å; Q311-R315 WeakPolarHBondContact O-CG 3.11Å; Q311-R315 PolarHBondContact O-N 2.73Å; L312-R315 WeakPolarHBondContact O-CB 3.26Å; L312-R315 PolarHBondContact O-N 2.98Å; L312-R315 VanDerWaalsContact O-N 3.16Å; Q313-R315 VanDerWaalsContact C-N 3.26Å; Q313-R315 PolarHBondContact O-N 2.92Å; R315-R319 WeakPolarHBondContact O-CG 3.2Å; R315-R319 PolarHBondContact O-N 3.24Å; R315-R319 VanDerWaalsContact O-N 3.11Å
316E92.7Very high89.8Confident134 Ų134114.1 Ų114.163%0.62655%0.545SS*.Hα-helixtrans-73-44.2176.1-177.1150.6-141.900111.7L312 Q313 R318 R319 A320L312-E316 PolarHBondContact O-N 3.13Å; Q313-E316 PolarHBondContact O-N 2.76Å; E316-R318 VanDerWaalsContact C-N 3.34Å; E316-R318 PolarHBondContact O-N 2.78Å; E316-R319 CarbonylContact O-C 3.55Å; E316-R319 WeakPolarHBondContact O-CA 3.38Å; E316-R319 WeakPolarHBondContact O-CB 3.31Å; E316-R319 PolarHBondContact O-N 3.16Å; E316-A320 WeakPolarHBondContact O-CB 3.48Å; E316-A320 PolarHBondContact O-N 3.3Å
317E91.4Very high89.3Confident111 Ų111115.5 Ų115.552%0.51955%0.551SS.*Hα-helixtrans-56.1-46.4171.7-72.3170.8-177.600111.3Q313 R319 A320 W321Q313-E317 HydrophobicContact CG-CG 4.39Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.43Å; Q313-E317 PolarHBondContact NE2-OE1 2.93Å; Q313-E317 WeakPolarHBondContact O-CG 3.42Å; Q313-E317 PolarHBondContact O-N 3.36Å; E317-R319 VanDerWaalsContact C-N 3.32Å; E317-R319 PolarHBondContact O-N 2.85Å; E317-A320 PolarHBondContact O-N 2.87Å; E317-W321 WeakPolarHBondContact O-CB 3.17Å; E317-W321 PolarHBondContact O-N 2.97Å
318R90.4Very high88.6Confident184 Ų184114.6 Ų114.669%0.69455%0.553SS**Hα-helixtrans-62.2-36.5174.6-173.1172.9179174.3-0.1112.7A314 E316 L322A314-R318 WeakPolarHBondContact O-CB 3.13Å; A314-R318 PolarHBondContact O-N 2.83Å; A314-R318 VanDerWaalsContact O-N 3.13Å; E316-R318 VanDerWaalsContact C-N 3.34Å; E316-R318 PolarHBondContact O-N 2.78Å; R318-L322 WeakPolarHBondContact O-CG 3.4Å; R318-L322 PolarHBondContact O-N 2.99Å
319R87Confident87.9Confident170 Ų170117.9 Ų117.964%0.64256%0.561SS**Hα-helixtrans-70.8-37.8174.5-79.5172.6168.8167.3-3.9112.2R315 E316 E317 L322 R323R315-R319 WeakPolarHBondContact O-CG 3.2Å; R315-R319 PolarHBondContact O-N 3.24Å; R315-R319 VanDerWaalsContact O-N 3.11Å; E316-R319 CarbonylContact O-C 3.55Å; E316-R319 WeakPolarHBondContact O-CA 3.38Å; E316-R319 WeakPolarHBondContact O-CB 3.31Å; E316-R319 PolarHBondContact O-N 3.16Å; E317-R319 VanDerWaalsContact C-N 3.32Å; E317-R319 PolarHBondContact O-N 2.85Å; R319-L322 PolarHBondContact O-N 2.89Å; R319-R323 WeakPolarHBondContact O-CB 3.4Å; R319-R323 VanDerWaalsContact O-CG 3.3Å; R319-R323 WeakPolarHBondContact O-CG 3.08Å; R319-R323 PolarHBondContact O-N 3.21Å
320A88Confident87.1Confident52 Ų52117.8 Ų117.843%0.4356%0.557SS.*Hα-helixtrans-65.2-42.4174.900000111.2E316 E317 R323 S324E316-A320 WeakPolarHBondContact O-CB 3.48Å; E316-A320 PolarHBondContact O-N 3.3Å; E317-A320 PolarHBondContact O-N 2.87Å; A320-R323 PolarHBondContact O-N 3.3Å; A320-S324 WeakPolarHBondContact O-CB 3.22Å; A320-S324 PolarHBondContact O-N 3.04Å
321W90.3Very high86.2Confident164 Ų164114.3 Ų114.362%0.62155%0.551SS**Hα-helixtrans-61.5-46.8173.6-175.283.1000112.2E317 R323 S324 L325E317-W321 WeakPolarHBondContact O-CB 3.17Å; E317-W321 PolarHBondContact O-N 2.97Å; W321-R323 VanDerWaalsContact C-N 3.35Å; W321-R323 PolarHBondContact O-N 3.07Å; W321-S324 WeakPolarHBondContact O-CB 3.36Å; W321-S324 PolarHBondContact O-N 3.3Å; W321-S324 VanDerWaalsContact O-N 3.14Å; W321-L325 HydrophobicContact CH2-CD1 3.46Å; W321-L325 VanDerWaalsContact CH2-CD1 3.46Å; W321-L325 HydrophobicContact CZ2-CD1 3.64Å; W321-L325 HydrophobicContact CZ3-CD1 3.96Å; W321-L325 PolarHBondContact O-N 3.4Å
322L85.4Confident85.3Confident93 Ų93113.2 Ų113.249%0.48755%0.546SS..Hα-helixtrans-61.9-39.1175.1-73.2170.7000112.8R318 R319 N326R318-L322 WeakPolarHBondContact O-CG 3.4Å; R318-L322 PolarHBondContact O-N 2.99Å; R319-L322 PolarHBondContact O-N 2.89Å; L322-N326 WeakPolarHBondContact O-CB 3.36Å; L322-N326 PolarHBondContact O-N 2.74Å
323R86.5Confident84.5Confident180 Ų180112.1 Ų112.168%0.67954%0.54SS*.Hα-helixtrans-62.9-42172.3-75.3170.4176.7166.3-2111.6R319 A320 W321 S327R319-R323 WeakPolarHBondContact O-CB 3.4Å; R319-R323 VanDerWaalsContact O-CG 3.3Å; R319-R323 WeakPolarHBondContact O-CG 3.08Å; R319-R323 PolarHBondContact O-N 3.21Å; A320-R323 PolarHBondContact O-N 3.3Å; W321-R323 VanDerWaalsContact C-N 3.35Å; W321-R323 PolarHBondContact O-N 3.07Å; R323-S327 VanDerWaalsContact O-CB 3.23Å; R323-S327 WeakPolarHBondContact O-CB 3.44Å; R323-S327 PolarHBondContact O-N 2.86Å
324S88.8Confident83.3Confident66 Ų66114.8 Ų114.846%0.46255%0.546SS..Hα-helixtrans-63.8-46.6177.5-173.20000111.6A320 W321 S327 Q328A320-S324 WeakPolarHBondContact O-CB 3.22Å; A320-S324 PolarHBondContact O-N 3.04Å; W321-S324 WeakPolarHBondContact O-CB 3.36Å; W321-S324 PolarHBondContact O-N 3.3Å; W321-S324 VanDerWaalsContact O-N 3.14Å; S324-S327 WeakPolarHBondContact O-CB 3.39Å; S324-S327 PolarHBondContact O-N 3.3Å; S324-Q328 PolarHBondContact O-N 2.9Å
325L84.5Confident82Confident79 Ų79118.8 Ų118.841%0.41455%0.549SS..Hα-helixtrans-65.4-41.8178.8-163.5157.4000111.6W321 S327 Q328 R329W321-L325 HydrophobicContact CH2-CD1 3.46Å; W321-L325 VanDerWaalsContact CH2-CD1 3.46Å; W321-L325 HydrophobicContact CZ2-CD1 3.64Å; W321-L325 HydrophobicContact CZ3-CD1 3.96Å; W321-L325 PolarHBondContact O-N 3.4Å; L325-S327 VanDerWaalsContact C-N 3.32Å; L325-S327 PolarHBondContact O-N 2.9Å; L325-Q328 PolarHBondContact O-N 3.18Å; L325-R329 PolarHBondContact O-N 3Å
326N79.1Confident80.8Confident103 Ų103116.3 Ų116.355%0.55154%0.543SS*.Hα-helixtrans-69.1-31.3175.2-158.541000112.3L322 R329 S330L322-N326 WeakPolarHBondContact O-CB 3.36Å; L322-N326 PolarHBondContact O-N 2.74Å; N326-R329 PolarHBondContact O-N 3.48Å; N326-S330 WeakPolarHBondContact O-CB 3.38Å; N326-S330 PolarHBondContact O-N 3.14Å; N326-S330 PolarHBondContact O-OG 3.48Å
327S81.4Confident79Confident79 Ų79115.5 Ų115.555%0.55254%0.539SS*.Hα-helixtrans-67.7-41.5171.7-1770000112R323 S324 L325 S330 A331R323-S327 VanDerWaalsContact O-CB 3.23Å; R323-S327 WeakPolarHBondContact O-CB 3.44Å; R323-S327 PolarHBondContact O-N 2.86Å; S324-S327 WeakPolarHBondContact O-CB 3.39Å; S324-S327 PolarHBondContact O-N 3.3Å; L325-S327 VanDerWaalsContact C-N 3.32Å; L325-S327 PolarHBondContact O-N 2.9Å; S327-S330 PolarHBondContact O-N 3.23Å; S327-A331 WeakPolarHBondContact O-CB 3.43Å; S327-A331 PolarHBondContact O-N 3.39Å
328Q81.8Confident77.4Confident131 Ų131115.1 Ų115.161%0.61254%0.541SS*.Hα-helixtrans-61.3-45.7171.4-77.3-177.1-2500111.5S324 L325 S330 A331 Q332S324-Q328 PolarHBondContact O-N 2.9Å; L325-Q328 PolarHBondContact O-N 3.18Å; Q328-S330 VanDerWaalsContact C-N 3.32Å; Q328-S330 PolarHBondContact O-N 2.92Å; Q328-A331 PolarHBondContact O-N 2.83Å; Q328-A331 VanDerWaalsContact O-N 3.15Å; Q328-Q332 WeakPolarHBondContact O-CB 3.46Å; Q328-Q332 PolarHBondContact O-N 3.05Å
329R78.1Confident75.6Confident169 Ų169110.9 Ų110.964%0.63853%0.529SS*.Hα-helixtrans-61.3-40.3175.3-163.8177.5-170.8-177.33.5112.1L325 N326 A331 Q332 N333L325-R329 PolarHBondContact O-N 3Å; N326-R329 PolarHBondContact O-N 3.48Å; R329-A331 VanDerWaalsContact C-N 3.35Å; R329-Q332 PolarHBondContact O-N 2.94Å; R329-N333 WeakPolarHBondContact O-CB 3.15Å; R329-N333 VanDerWaalsContact O-CG 3.3Å; R329-N333 PolarHBondContact O-N 3.02Å; R329-N333 PolarHBondContact O-OD1 2.85Å
330S75Confident73.9Confident53 Ų53109.8 Ų109.837%0.37153%0.529SS..Hα-helixtrans-65-37.1174.5-56.80000112.5N326 S327 Q328 R334N326-S330 WeakPolarHBondContact O-CB 3.38Å; N326-S330 PolarHBondContact O-N 3.14Å; N326-S330 PolarHBondContact O-OG 3.48Å; S327-S330 PolarHBondContact O-N 3.23Å; Q328-S330 VanDerWaalsContact C-N 3.32Å; Q328-S330 PolarHBondContact O-N 2.92Å; S330-R334 WeakPolarHBondContact O-CG 3.38Å; S330-R334 PolarHBondContact O-N 3.01Å
331A75.2Confident72.3Confident57 Ų57111 Ų11147%0.47153%0.531SS..Hα-helixtrans-71.1-39.6175.400000111.9S327 Q328 R329 R334 W335S327-A331 WeakPolarHBondContact O-CB 3.43Å; S327-A331 PolarHBondContact O-N 3.39Å; Q328-A331 PolarHBondContact O-N 2.83Å; Q328-A331 VanDerWaalsContact O-N 3.15Å; R329-A331 VanDerWaalsContact C-N 3.35Å; A331-R334 PolarHBondContact O-N 3.07Å; A331-W335 WeakPolarHBondContact O-CB 3.11Å; A331-W335 PolarHBondContact O-N 2.83Å
332Q74Confident70.3Confident107 Ų107108.5 Ų108.550%0.553%0.534SS..Hα-helixtrans-60.8-46.1174.2-165.177.643.300110.8Q328 R329 W335 F336Q328-Q332 WeakPolarHBondContact O-CB 3.46Å; Q328-Q332 PolarHBondContact O-N 3.05Å; R329-Q332 PolarHBondContact O-N 2.94Å; Q332-W335 WeakPolarHBondContact O-CB 3.48Å; Q332-W335 PolarHBondContact O-N 3.39Å; Q332-F336 HydrophobicContact CG-CD2 4.24Å; Q332-F336 HydrophobicContact CG-CE2 4.15Å; Q332-F336 WeakPolarHBondContact O-CD2 3.44Å; Q332-F336 PolarHBondContact O-N 3.49Å
333N72.9Confident68.5Low88 Ų88106.7 Ų106.747%0.47153%0.529SS..Hα-helixtrans-60.5-48.3175.5-72.514000111.1R329 W335 F336 E337R329-N333 WeakPolarHBondContact O-CB 3.15Å; R329-N333 VanDerWaalsContact O-CG 3.3Å; R329-N333 PolarHBondContact O-N 3.02Å; R329-N333 PolarHBondContact O-OD1 2.85Å; N333-W335 PolarHBondContact O-N 2.94Å; N333-F336 PolarHBondContact O-N 2.89Å; N333-E337 WeakPolarHBondContact O-CG 3.49Å; N333-E337 PolarHBondContact O-N 3Å
334R69.3Low66.6Low168 Ų168102.3 Ų102.363%0.63452%0.515SS*.Hα-helixtrans-61.4-30.1174.9-73.9178.3-172.5177.22.7113.6S330 A331 E337 N338S330-R334 WeakPolarHBondContact O-CG 3.38Å; S330-R334 PolarHBondContact O-N 3.01Å; A331-R334 PolarHBondContact O-N 3.07Å; R334-E337 WeakPolarHBondContact CA-OE2 3.39Å; R334-N338 VanDerWaalsContact O-CB 3.28Å; R334-N338 WeakPolarHBondContact O-CB 3.3Å; R334-N338 PolarHBondContact O-N 3.21Å; R334-N338 PolarHBondContact O-ND2 3.09Å
335W61.9Low64.7Low138 Ų138103.6 Ų103.652%0.52352%0.522SS..Hα-helixtrans-70.8-46.2176.7-159.286.9000110.6A331 Q332 N333 E337 N338 E339A331-W335 WeakPolarHBondContact O-CB 3.11Å; A331-W335 PolarHBondContact O-N 2.83Å; Q332-W335 WeakPolarHBondContact O-CB 3.48Å; Q332-W335 PolarHBondContact O-N 3.39Å; N333-W335 PolarHBondContact O-N 2.94Å; W335-E337 PolarHBondContact O-N 3.04Å; W335-N338 PolarHBondContact O-N 3.23Å; W335-E339 WeakPolarHBondContact CZ3-OE2 3.21Å; W335-E339 WeakPolarHBondContact O-CB 3.44Å; W335-E339 PolarHBondContact O-N 2.76Å
336F62.1Low63.1Low117 Ų117103 Ų10351%0.51353%0.528SS..Hα-helixtrans-61.4-39.9170.3-84.1-65.2000112.8Q332 N333 E339 K340Q332-F336 HydrophobicContact CG-CD2 4.24Å; Q332-F336 HydrophobicContact CG-CE2 4.15Å; Q332-F336 WeakPolarHBondContact O-CD2 3.44Å; Q332-F336 PolarHBondContact O-N 3.49Å; N333-F336 PolarHBondContact O-N 2.89Å; F336-E339 PolarHBondContact O-N 2.88Å; F336-K340 WeakPolarHBondContact O-CB 3.45Å; F336-K340 PolarHBondContact O-N 2.97Å
337E56.2Low61.9Low117 Ų117102.5 Ų102.555%0.54753%0.526SS..Hα-helixtrans-62.3-42.9174.5-73.4172.2146.200111.6N333 R334 W335 K340 V341N333-E337 WeakPolarHBondContact O-CG 3.49Å; N333-E337 PolarHBondContact O-N 3Å; R334-E337 WeakPolarHBondContact CA-OE2 3.39Å; W335-E337 PolarHBondContact O-N 3.04Å; E337-K340 CarbonylContact O-C 3.5Å; E337-K340 PolarHBondContact O-N 2.98Å; E337-V341 VanDerWaalsContact O-CG2 3.26Å; E337-V341 WeakPolarHBondContact O-CG2 3.47Å; E337-V341 PolarHBondContact O-N 2.82Å; E337-V341 VanDerWaalsContact O-N 3.07Å
338N57.8Low60.8Low103 Ų103103.1 Ų103.155%0.55152%0.522SS*.Hα-helixtrans-69-39.7177.8-75.7-24.9000112.8R334 W335 K340 V341 T342R334-N338 VanDerWaalsContact O-CB 3.28Å; R334-N338 WeakPolarHBondContact O-CB 3.3Å; R334-N338 PolarHBondContact O-N 3.21Å; R334-N338 PolarHBondContact O-ND2 3.09Å; W335-N338 PolarHBondContact O-N 3.23Å; N338-K340 VanDerWaalsContact C-N 3.29Å; N338-K340 PolarHBondContact O-N 2.93Å; N338-V341 CarbonylContact O-C 3.6Å; N338-V341 WeakPolarHBondContact O-CA 3.36Å; N338-V341 WeakPolarHBondContact O-CB 3.4Å; N338-V341 PolarHBondContact O-N 2.88Å; N338-T342 PolarHBondContact O-N 2.63Å; N338-T342 PolarHBondContact O-OG1 3.07Å
339E52.3Low60.1Low95 Ų95100.2 Ų100.244%0.44452%0.516SS..Hα-helixtrans-63.2-38.3172.5-172.9169.9-139.600111.1W335 F336 V341 T342 S343W335-E339 WeakPolarHBondContact CZ3-OE2 3.21Å; W335-E339 WeakPolarHBondContact O-CB 3.44Å; W335-E339 PolarHBondContact O-N 2.76Å; F336-E339 PolarHBondContact O-N 2.88Å; E339-V341 PolarHBondContact O-N 2.8Å; E339-T342 WeakPolarHBondContact CA-OG1 3.14Å; E339-T342 PolarHBondContact O-N 3.06Å; E339-T342 PolarHBondContact O-OG1 3.46Å; E339-T342 VanDerWaalsContact O-OG1 3.07Å; E339-S343 PolarHBondContact O-N 3.26Å; E339-S343 PolarHBondContact O-OG 3.49Å
340K51.8Low59.6Low147 Ų14798.2 Ų98.264%0.63951%0.514SS*.Hα-helixtrans-77.112169.3-152.2172.3-169.4176.70113.1F336 E337 N338 K344F336-K340 WeakPolarHBondContact O-CB 3.45Å; F336-K340 PolarHBondContact O-N 2.97Å; E337-K340 CarbonylContact O-C 3.5Å; E337-K340 PolarHBondContact O-N 2.98Å; N338-K340 VanDerWaalsContact C-N 3.29Å; N338-K340 PolarHBondContact O-N 2.93Å; K340-K344 WeakPolarHBondContact O-CD 3.41Å; K340-K344 WeakPolarHBondContact O-CE 3.48Å; K340-K344 VanDerWaalsContact O-CG 3.32Å; K340-K344 WeakPolarHBondContact O-CG 3.36Å; K340-K344 PolarHBondContact O-NZ 3Å
341V53.3Low59.4Low77 Ų7799.4 Ų99.447%0.46751%0.514SS..Hα-helixtrans-120.9-29.8170.8162.80000111.2E337 N338 E339 S343 K344 P345E337-V341 VanDerWaalsContact O-CG2 3.26Å; E337-V341 WeakPolarHBondContact O-CG2 3.47Å; E337-V341 PolarHBondContact O-N 2.82Å; E337-V341 VanDerWaalsContact O-N 3.07Å; N338-V341 CarbonylContact O-C 3.6Å; N338-V341 WeakPolarHBondContact O-CA 3.36Å; N338-V341 WeakPolarHBondContact O-CB 3.4Å; N338-V341 PolarHBondContact O-N 2.88Å; E339-V341 PolarHBondContact O-N 2.8Å; V341-S343 VanDerWaalsContact C-N 3.31Å; V341-S343 PolarHBondContact O-N 2.81Å; V341-K344 HydrophobicContact CG2-CD 4.3Å; V341-K344 PolarHBondContact O-N 2.97Å; V341-P345 WeakPolarHBondContact O-CD 3.17Å
342T49.2Very low59.3Low111 Ų111102.4 Ų102.468%0.68152%0.518SS*.Hα-helixtrans-71.6-23.3172.647.40000113.5N338 E339N338-T342 PolarHBondContact O-N 2.63Å; N338-T342 PolarHBondContact O-OG1 3.07Å; E339-T342 WeakPolarHBondContact CA-OG1 3.14Å; E339-T342 PolarHBondContact O-N 3.06Å; E339-T342 PolarHBondContact O-OG1 3.46Å; E339-T342 VanDerWaalsContact O-OG1 3.07Å
343S46.4Very low59.3Low55 Ų55103.9 Ų103.939%0.38553%0.525SS..SBendtrans-78.4-36169.537.40000113.2E339 V341 P345 A346E339-S343 PolarHBondContact O-N 3.26Å; E339-S343 PolarHBondContact O-OG 3.49Å; V341-S343 VanDerWaalsContact C-N 3.31Å; V341-S343 PolarHBondContact O-N 2.81Å; S343-P345 WeakPolarHBondContact O-CD 3.39Å; S343-A346 PolarHBondContact O-N 3.47Å
344K47.3Very low59.5Low88 Ų88103.4 Ų103.438%0.38352%0.522SS..Hα-helixtrans-55.1-31.9-171.6-87-179.4-174.71270118.5K340 V341 A346 D347 L348K340-K344 WeakPolarHBondContact O-CD 3.41Å; K340-K344 WeakPolarHBondContact O-CE 3.48Å; K340-K344 VanDerWaalsContact O-CG 3.32Å; K340-K344 WeakPolarHBondContact O-CG 3.36Å; K340-K344 PolarHBondContact O-NZ 3Å; V341-K344 HydrophobicContact CG2-CD 4.3Å; V341-K344 PolarHBondContact O-N 2.97Å; K344-A346 VanDerWaalsContact C-N 3.28Å; K344-A346 PolarHBondContact O-N 3.36Å; K344-D347 PolarHBondContact O-N 2.97Å; K344-L348 HydrophobicContact CB-CD1 4.17Å; K344-L348 HydrophobicContact CD-CD1 4.41Å; K344-L348 HydrophobicContact CG-CD1 4.22Å; K344-L348 WeakPolarHBondContact O-CB 3.38Å; K344-L348 PolarHBondContact O-N 3.27Å
345P49.8Very low60Low94 Ų94102.4 Ų102.461%0.6152%0.518SS*.Hα-helixtrans-66.9-27-175.124-33.7000113.7V341 S343 S349V341-P345 WeakPolarHBondContact O-CD 3.17Å; S343-P345 WeakPolarHBondContact O-CD 3.39Å; P345-S349 PolarHBondContact O-N 3.29Å
346A50.8Low60.8Low67 Ų67100 Ų10055%0.55452%0.515SS*.Hα-helixtrans-74.2-51.617200000110.8S343 K344 L348 S349 Q350S343-A346 PolarHBondContact O-N 3.47Å; K344-A346 VanDerWaalsContact C-N 3.28Å; K344-A346 PolarHBondContact O-N 3.36Å; A346-L348 VanDerWaalsContact C-N 3.35Å; A346-L348 PolarHBondContact O-N 3.21Å; A346-S349 WeakPolarHBondContact O-CB 3.45Å; A346-S349 PolarHBondContact O-N 2.9Å; A346-S349 VanDerWaalsContact O-N 3.09Å; A346-Q350 PolarHBondContact O-N 2.8Å; A346-Q350 VanDerWaalsContact O-N 3.1Å
347D53Low61.5Low92 Ų92101.3 Ų101.349%0.49252%0.522SS..Hα-helixtrans-62.5-38.6-177.9-58-25.4000112.2K344 S349 Q350 E351K344-D347 PolarHBondContact O-N 2.97Å; D347-S349 PolarHBondContact O-N 3.38Å; D347-Q350 PolarHBondContact O-N 3.2Å; D347-E351 WeakPolarHBondContact O-CB 3.49Å; D347-E351 PolarHBondContact O-N 3.17Å
348L58.9Low62.5Low91 Ų91101.8 Ų101.848%0.47652%0.523SS..Hα-helixtrans-64.7-37.1174.3-106.476.3000112.3K344 A346 Q352K344-L348 HydrophobicContact CB-CD1 4.17Å; K344-L348 HydrophobicContact CD-CD1 4.41Å; K344-L348 HydrophobicContact CG-CD1 4.22Å; K344-L348 WeakPolarHBondContact O-CB 3.38Å; K344-L348 PolarHBondContact O-N 3.27Å; A346-L348 VanDerWaalsContact C-N 3.35Å; A346-L348 PolarHBondContact O-N 3.21Å; L348-Q352 WeakPolarHBondContact O-CB 3.23Å; L348-Q352 WeakPolarHBondContact O-CG 3.45Å; L348-Q352 PolarHBondContact O-N 2.95Å
349S67.5Low63.2Low71 Ų71102.2 Ų102.250%0.49752%0.524SS..Hα-helixtrans-63.3-46.8176.2-169.80000110.3P345 A346 D347 Q352 E353P345-S349 PolarHBondContact O-N 3.29Å; A346-S349 WeakPolarHBondContact O-CB 3.45Å; A346-S349 PolarHBondContact O-N 2.9Å; A346-S349 VanDerWaalsContact O-N 3.09Å; D347-S349 PolarHBondContact O-N 3.38Å; S349-Q352 PolarHBondContact O-N 3.46Å; S349-E353 WeakPolarHBondContact O-CB 3.5Å; S349-E353 PolarHBondContact O-N 3.32Å
350Q67.3Low64.4Low127 Ų127106.3 Ų106.359%0.59354%0.536SS*.Hα-helixtrans-70.2-39.3-178.2-155169.327.900112A346 D347 E353 I354A346-Q350 PolarHBondContact O-N 2.8Å; A346-Q350 VanDerWaalsContact O-N 3.1Å; D347-Q350 PolarHBondContact O-N 3.2Å; Q350-E353 PolarHBondContact O-N 3.43Å; Q350-I354 HydrophobicContact CG-CD1 4.42Å; Q350-I354 WeakPolarHBondContact O-CB 3.47Å; Q350-I354 WeakPolarHBondContact O-CD1 3.35Å; Q350-I354 WeakPolarHBondContact O-CG1 3.29Å; Q350-I354 PolarHBondContact O-N 3.02Å
351E69.7Low65.4Low77 Ų77101.2 Ų101.236%0.3652%0.524SS..Hα-helixtrans-67.8-38.2173.7178.260.6-169.100112.2D347 R355D347-E351 WeakPolarHBondContact O-CB 3.49Å; D347-E351 PolarHBondContact O-N 3.17Å; E351-R355 WeakPolarHBondContact O-CB 3.33Å; E351-R355 WeakPolarHBondContact O-CG 3.38Å; E351-R355 PolarHBondContact O-N 2.96Å; E351-R355 IonicContact OE1-CZ 3.95Å; E351-R355 IonicContact OE1-NE 3.21Å; E351-R355 PolarHBondContact OE1-NE 2.9Å; E351-R355 IonicContact OE1-NH2 2.68Å; E351-R355 PolarHBondContact OE1-NH2 3.37Å
352Q73.6Confident66.2Low120 Ų120103.1 Ų103.156%0.56153%0.527SS*.Hα-helixtrans-66-37.6172.2-78.1178.9-000111.9L348 S349 R355 L356L348-Q352 WeakPolarHBondContact O-CB 3.23Å; L348-Q352 WeakPolarHBondContact O-CG 3.45Å; L348-Q352 PolarHBondContact O-N 2.95Å; S349-Q352 PolarHBondContact O-N 3.46Å; Q352-R355 PolarHBondContact O-N 3.34Å; Q352-L356 WeakPolarHBondContact O-CB 3.37Å; Q352-L356 PolarHBondContact O-N 3.08Å
353E74.9Confident67.1Low139 Ų139106.7 Ų106.765%0.6553%0.528SS*.Hα-helixtrans-70.8-38.6177-168.3155.9-136.900111.9S349 Q350 L356 H357S349-E353 WeakPolarHBondContact O-CB 3.5Å; S349-E353 PolarHBondContact O-N 3.32Å; Q350-E353 PolarHBondContact O-N 3.43Å; E353-L356 PolarHBondContact O-N 3.02Å; E353-H357 WeakPolarHBondContact O-CB 3.17Å; E353-H357 PolarHBondContact O-N 2.81Å
354I77.6Confident68.3Low78 Ų78106 Ų10640%0.453%0.529SS..Hα-helixtrans-63.2-41.9169.8-71163.8000111Q350 H357 K358Q350-I354 HydrophobicContact CG-CD1 4.42Å; Q350-I354 WeakPolarHBondContact O-CB 3.47Å; Q350-I354 WeakPolarHBondContact O-CD1 3.35Å; Q350-I354 WeakPolarHBondContact O-CG1 3.29Å; Q350-I354 PolarHBondContact O-N 3.02Å; I354-H357 PolarHBondContact O-N 2.92Å; I354-K358 HydrophobicContact CG2-CD 4.46Å; I354-K358 WeakPolarHBondContact O-CG 3.23Å; I354-K358 PolarHBondContact O-N 2.96Å
355R79.6Confident69.2Low147 Ų147107.4 Ų107.456%0.55554%0.537SS*.Hα-helixtrans-65.4-39.8174.2-74172.4-167.8-164.35.1112E351 Q352 H357 K358 L359E351-R355 WeakPolarHBondContact O-CB 3.33Å; E351-R355 WeakPolarHBondContact O-CG 3.38Å; E351-R355 PolarHBondContact O-N 2.96Å; E351-R355 IonicContact OE1-CZ 3.95Å; E351-R355 IonicContact OE1-NE 3.21Å; E351-R355 PolarHBondContact OE1-NE 2.9Å; E351-R355 IonicContact OE1-NH2 2.68Å; E351-R355 PolarHBondContact OE1-NH2 3.37Å; Q352-R355 PolarHBondContact O-N 3.34Å; R355-H357 VanDerWaalsContact C-N 3.34Å; R355-K358 PolarHBondContact O-N 2.88Å; R355-L359 WeakPolarHBondContact O-CB 3.44Å; R355-L359 VanDerWaalsContact O-CG 3.31Å; R355-L359 WeakPolarHBondContact O-CG 3.38Å; R355-L359 PolarHBondContact O-N 3.46Å
356L77.1Confident70.1Confident86 Ų86107.2 Ų107.245%0.4553%0.534SS..Hα-helixtrans-63.9-38.1172.1-91.9163.3000112Q352 E353 L359 R360Q352-L356 WeakPolarHBondContact O-CB 3.37Å; Q352-L356 PolarHBondContact O-N 3.08Å; E353-L356 PolarHBondContact O-N 3.02Å; L356-L359 PolarHBondContact O-N 3.35Å; L356-R360 WeakPolarHBondContact O-CB 3.32Å; L356-R360 VanDerWaalsContact O-CG 3.23Å; L356-R360 WeakPolarHBondContact O-CG 3.33Å; L356-R360 PolarHBondContact O-N 3.12Å
357H77.7Confident71.1Confident146 Ų146107.7 Ų107.768%0.67653%0.525SS*.Hα-helixtrans-65.9-44.8174.4-165.6-77.8000111.5E353 I354 R355 R360 G361E353-H357 WeakPolarHBondContact O-CB 3.17Å; E353-H357 PolarHBondContact O-N 2.81Å; I354-H357 PolarHBondContact O-N 2.92Å; R355-H357 VanDerWaalsContact C-N 3.34Å; H357-R360 PolarHBondContact O-N 3.41Å; H357-G361 PolarHBondContact O-N 3.47Å
358K77.9Confident72Confident127 Ų127110.4 Ų110.455%0.55254%0.535SS*.Hα-helixtrans-59.6-46.6172.6-73.8178177.6179.60111.6I354 R355 R360 G361 F362I354-K358 HydrophobicContact CG2-CD 4.46Å; I354-K358 WeakPolarHBondContact O-CG 3.23Å; I354-K358 PolarHBondContact O-N 2.96Å; R355-K358 PolarHBondContact O-N 2.88Å; K358-R360 PolarHBondContact O-N 3.01Å; K358-G361 CarbonylContact O-C 3.53Å; K358-G361 WeakPolarHBondContact O-CA 3.4Å; K358-G361 PolarHBondContact O-N 2.89Å; K358-G361 VanDerWaalsContact O-N 3.15Å; K358-F362 HydrophobicContact CB-CE2 4.39Å; K358-F362 WeakPolarHBondContact O-CD2 3.49Å; K358-F362 PolarHBondContact O-N 2.93Å
359L70.9Confident72.8Confident112 Ų112110 Ų11059%0.58654%0.536SS*.Hα-helixtrans-62.9-37.4176.9-77.6165.8000113.1R355 L356 R363R355-L359 WeakPolarHBondContact O-CB 3.44Å; R355-L359 VanDerWaalsContact O-CG 3.31Å; R355-L359 WeakPolarHBondContact O-CG 3.38Å; R355-L359 PolarHBondContact O-N 3.46Å; L356-L359 PolarHBondContact O-N 3.35Å; L359-R363 WeakPolarHBondContact O-CB 3.46Å; L359-R363 PolarHBondContact O-N 3.32Å
360R78.1Confident73.4Confident181 Ų181111.8 Ų111.868%0.68353%0.532SS*.Hα-helixtrans-66.4-40.1172.3-72.4171.6-167-170.97.6111.4L356 H357 K358 R363 G364L356-R360 WeakPolarHBondContact O-CB 3.32Å; L356-R360 VanDerWaalsContact O-CG 3.23Å; L356-R360 WeakPolarHBondContact O-CG 3.33Å; L356-R360 PolarHBondContact O-N 3.12Å; H357-R360 PolarHBondContact O-N 3.41Å; K358-R360 PolarHBondContact O-N 3.01Å; R360-R363 PolarHBondContact O-N 3.41Å; R360-G364 PolarHBondContact O-N 2.92Å
361G73.7Confident73.8Confident39 Ų39109.7 Ų109.740%0.40253%0.525SS..Hα-helixtrans-60.1-51.3172.500000112.4H357 K358 R363 G364 Q365H357-G361 PolarHBondContact O-N 3.47Å; K358-G361 CarbonylContact O-C 3.53Å; K358-G361 WeakPolarHBondContact O-CA 3.4Å; K358-G361 PolarHBondContact O-N 2.89Å; K358-G361 VanDerWaalsContact O-N 3.15Å; G361-R363 PolarHBondContact O-N 2.84Å; G361-G364 PolarHBondContact O-N 3.19Å; G361-G364 VanDerWaalsContact O-N 3.14Å; G361-Q365 PolarHBondContact O-N 3.45Å
362F70.4Confident74.5Confident118 Ų118109 Ų10952%0.51853%0.528SS..Hα-helixtrans-58.9-44.1175-74.7-56.7000111.9K358 G364 Q365 T366K358-F362 HydrophobicContact CB-CE2 4.39Å; K358-F362 WeakPolarHBondContact O-CD2 3.49Å; K358-F362 PolarHBondContact O-N 2.93Å; F362-G364 VanDerWaalsContact C-N 3.27Å; F362-G364 PolarHBondContact O-N 3.22Å; F362-Q365 CarbonylContact O-C 3.28Å; F362-Q365 WeakPolarHBondContact O-CA 3.37Å; F362-Q365 WeakPolarHBondContact O-CB 3.23Å; F362-Q365 PolarHBondContact O-N 3.29Å; F362-T366 PolarHBondContact O-N 3.4Å; F362-T366 PolarHBondContact O-OG1 3.33Å
363R67.6Low74.9Confident185 Ų185107.3 Ų107.370%0.69852%0.523SS*.Hα-helixtrans-60.9-35.7176.3-165.9175.5-166.4-100.7-0.4112.6L359 R360 G361 T366 E367L359-R363 WeakPolarHBondContact O-CB 3.46Å; L359-R363 PolarHBondContact O-N 3.32Å; R360-R363 PolarHBondContact O-N 3.41Å; G361-R363 PolarHBondContact O-N 2.84Å; R363-T366 PolarHBondContact O-N 2.92Å; R363-E367 PolarHBondContact O-N 3.16Å
364G71.7Confident75.4Confident40 Ų40104.1 Ų104.141%0.41251%0.508SS..Hα-helixtrans-63.8-44.9171.100000112.5R360 G361 F362 E367 Q368R360-G364 PolarHBondContact O-N 2.92Å; G361-G364 PolarHBondContact O-N 3.19Å; G361-G364 VanDerWaalsContact O-N 3.14Å; F362-G364 VanDerWaalsContact C-N 3.27Å; F362-G364 PolarHBondContact O-N 3.22Å; G364-E367 PolarHBondContact O-N 3.01Å; G364-Q368 WeakPolarHBondContact O-CB 3.44Å; G364-Q368 PolarHBondContact O-N 3.37Å
365Q66.7Low75.7Confident118 Ų118105.3 Ų105.355%0.55152%0.515SS*.Hα-helixtrans-63.2-41.3174.1-68.6174.5-12.600112G361 F362 Q368 V369G361-Q365 PolarHBondContact O-N 3.45Å; F362-Q365 CarbonylContact O-C 3.28Å; F362-Q365 WeakPolarHBondContact O-CA 3.37Å; F362-Q365 WeakPolarHBondContact O-CB 3.23Å; F362-Q365 PolarHBondContact O-N 3.29Å; Q365-Q368 PolarHBondContact O-N 2.94Å; Q365-V369 WeakPolarHBondContact O-CB 3.5Å; Q365-V369 WeakPolarHBondContact O-CG2 3.21Å; Q365-V369 PolarHBondContact O-N 3.44Å
366T68.1Low76Confident91 Ų91102.9 Ų102.956%0.55851%0.513SS*.Hα-helixtrans-62.3-44.4176.6-49.10000111.6F362 R363 V369 R370F362-T366 PolarHBondContact O-N 3.4Å; F362-T366 PolarHBondContact O-OG1 3.33Å; R363-T366 PolarHBondContact O-N 2.92Å; T366-V369 PolarHBondContact O-N 2.85Å; T366-R370 WeakPolarHBondContact O-CB 3.28Å; T366-R370 PolarHBondContact O-N 3.26Å
367E70.4Confident76.5Confident77 Ų77102.6 Ų102.636%0.3651%0.514SS..Hα-helixtrans-65.1-39173.8-80-62147.700112.2R363 G364 R370 L371R363-E367 PolarHBondContact O-N 3.16Å; G364-E367 PolarHBondContact O-N 3.01Å; E367-R370 WeakPolarHBondContact O-CB 3.43Å; E367-R370 PolarHBondContact O-N 2.99Å; E367-R370 IonicContact OE1-NE 3.77Å; E367-R370 PolarHBondContact OE1-NE 2.94Å; E367-R370 IonicContact OE2-CZ 3.06Å; E367-R370 IonicContact OE2-NE 2.76Å; E367-R370 PolarHBondContact OE2-NE 3.43Å; E367-R370 IonicContact OE2-NH2 3.09Å; E367-R370 PolarHBondContact OE2-NH2 3.42Å; E367-L371 WeakPolarHBondContact O-CB 3.29Å; E367-L371 VanDerWaalsContact O-CG 3.3Å; E367-L371 WeakPolarHBondContact O-CG 3.36Å; E367-L371 PolarHBondContact O-N 3.39Å
368Q72.7Confident77.2Confident149 Ų149100.7 Ų100.770%0.69650%0.504SS*.Hα-helixtrans-68.5-36.6177.4-170161.1-6.100112.5G364 Q365 S372G364-Q368 WeakPolarHBondContact O-CB 3.44Å; G364-Q368 PolarHBondContact O-N 3.37Å; Q365-Q368 PolarHBondContact O-N 2.94Å; Q368-S372 WeakPolarHBondContact O-CB 3.16Å; Q368-S372 PolarHBondContact O-N 3.35Å
369V75.4Confident77.6Confident83 Ų8398.9 Ų98.950%0.50350%0.498SS..Hα-helixtrans-66.1-40.6169.7169.40000110.8Q365 T366 L371 S372 N373Q365-V369 WeakPolarHBondContact O-CB 3.5Å; Q365-V369 WeakPolarHBondContact O-CG2 3.21Å; Q365-V369 PolarHBondContact O-N 3.44Å; T366-V369 PolarHBondContact O-N 2.85Å; V369-L371 PolarHBondContact O-N 2.92Å; V369-S372 PolarHBondContact O-N 3.47Å; V369-N373 WeakPolarHBondContact O-CB 3.46Å; V369-N373 PolarHBondContact O-N 2.95Å; V369-N373 PolarHBondContact O-ND2 3.36Å
370R80.5Confident78.6Confident107 Ų10798.4 Ų98.440%0.40450%0.495SS..Hα-helixtrans-61.3-44.7176-165-170.763.961.312.6111.6T366 E367 N373 E374T366-R370 WeakPolarHBondContact O-CB 3.28Å; T366-R370 PolarHBondContact O-N 3.26Å; E367-R370 WeakPolarHBondContact O-CB 3.43Å; E367-R370 PolarHBondContact O-N 2.99Å; E367-R370 IonicContact OE1-NE 3.77Å; E367-R370 PolarHBondContact OE1-NE 2.94Å; E367-R370 IonicContact OE2-CZ 3.06Å; E367-R370 IonicContact OE2-NE 2.76Å; E367-R370 PolarHBondContact OE2-NE 3.43Å; E367-R370 IonicContact OE2-NH2 3.09Å; E367-R370 PolarHBondContact OE2-NH2 3.42Å; R370-N373 PolarHBondContact O-N 3.08Å; R370-E374 IonicContact CZ-OE2 2.82Å; R370-E374 IonicContact NH1-OE2 2.74Å; R370-E374 PolarHBondContact NH1-OE2 2.89Å; R370-E374 IonicContact NH2-OE2 3.48Å; R370-E374 PolarHBondContact O-N 3.22Å
371L76.4Confident79.2Confident84 Ų8494.6 Ų94.644%0.4449%0.488SS..Hα-helixtrans-67.9-37.6175.8-70.2168000112.5E367 V369 E374 N375E367-L371 WeakPolarHBondContact O-CB 3.29Å; E367-L371 VanDerWaalsContact O-CG 3.3Å; E367-L371 WeakPolarHBondContact O-CG 3.36Å; E367-L371 PolarHBondContact O-N 3.39Å; V369-L371 PolarHBondContact O-N 2.92Å; L371-E374 PolarHBondContact O-N 2.91Å; L371-N375 PolarHBondContact O-N 3.33Å; L371-N375 VanDerWaalsContact O-N 3.13Å; L371-N375 PolarHBondContact O-ND2 3.2Å
372S84.2Confident80Confident63 Ų63100.1 Ų100.144%0.44150%0.497SS..Hα-helixtrans-61.7-45.4172.4-167.80000111.2Q368 V369 N375 L376Q368-S372 WeakPolarHBondContact O-CB 3.16Å; Q368-S372 PolarHBondContact O-N 3.35Å; V369-S372 PolarHBondContact O-N 3.47Å; S372-N375 PolarHBondContact O-N 3.08Å; S372-N375 VanDerWaalsContact O-N 3.17Å; S372-L376 PolarHBondContact O-N 3.23Å
373N81.7Confident81Confident83 Ų8398.8 Ų98.844%0.44449%0.494SS..Hα-helixtrans-66.9-38.4178.2-69.1-13.2000112.3V369 R370 N375 L376 V377V369-N373 WeakPolarHBondContact O-CB 3.46Å; V369-N373 PolarHBondContact O-N 2.95Å; V369-N373 PolarHBondContact O-ND2 3.36Å; R370-N373 PolarHBondContact O-N 3.08Å; N373-N375 VanDerWaalsContact C-N 3.28Å; N373-N375 PolarHBondContact O-N 3.42Å; N373-L376 PolarHBondContact O-N 2.67Å; N373-V377 WeakPolarHBondContact O-CG2 3.44Å; N373-V377 PolarHBondContact O-N 3.21Å
374E84.6Confident82Confident73 Ų7392.6 Ų92.634%0.34148%0.483SS..Hα-helixtrans-58.8-38170.7-92-162.272.100112.8R370 L371 K378R370-E374 IonicContact CZ-OE2 2.82Å; R370-E374 IonicContact NH1-OE2 2.74Å; R370-E374 PolarHBondContact NH1-OE2 2.89Å; R370-E374 IonicContact NH2-OE2 3.48Å; R370-E374 PolarHBondContact O-N 3.22Å; L371-E374 PolarHBondContact O-N 2.91Å; E374-K378 VanDerWaalsContact O-CD 3.23Å; E374-K378 WeakPolarHBondContact O-CD 3.23Å; E374-K378 WeakPolarHBondContact O-CE 3.23Å; E374-K378 VanDerWaalsContact O-CG 3.22Å; E374-K378 WeakPolarHBondContact O-CG 3.4Å; E374-K378 PolarHBondContact O-N 3.05Å; E374-K378 IonicContact OE1-NZ 2.67Å; E374-K378 PolarHBondContact OE1-NZ 3.22Å
375N84.9Confident82.9Confident102 Ų10294.8 Ų94.855%0.54549%0.492SS..Hα-helixtrans-75.4-37.1178-69.8-18.6000111.9L371 S372 N373 K378 E379L371-N375 PolarHBondContact O-N 3.33Å; L371-N375 VanDerWaalsContact O-N 3.13Å; L371-N375 PolarHBondContact O-ND2 3.2Å; S372-N375 PolarHBondContact O-N 3.08Å; S372-N375 VanDerWaalsContact O-N 3.17Å; N373-N375 VanDerWaalsContact C-N 3.28Å; N373-N375 PolarHBondContact O-N 3.42Å; N375-K378 PolarHBondContact O-N 3.39Å; N375-E379 PolarHBondContact O-N 3.47Å
376L85.1Confident84Confident97 Ų9794.3 Ų94.351%0.50849%0.492SS..Hα-helixtrans-60.3-45.3171.2-80.8162.7000111.8S372 N373 K378 E379 I380S372-L376 PolarHBondContact O-N 3.23Å; N373-L376 PolarHBondContact O-N 2.67Å; L376-K378 PolarHBondContact O-N 3.35Å; L376-E379 PolarHBondContact O-N 3.36Å; L376-I380 WeakPolarHBondContact O-CB 3.22Å; L376-I380 VanDerWaalsContact O-CG1 3.25Å; L376-I380 WeakPolarHBondContact O-CG1 3.38Å; L376-I380 PolarHBondContact O-N 3.26Å
377V88.3Confident84.9Confident80 Ų8095.8 Ų95.849%0.48550%0.496SS..Hα-helixtrans-58.9-47.3175.5169.60000111N373 E379 I380 D381N373-V377 WeakPolarHBondContact O-CG2 3.44Å; N373-V377 PolarHBondContact O-N 3.21Å; V377-E379 VanDerWaalsContact C-N 3.29Å; V377-E379 PolarHBondContact O-N 3.24Å; V377-I380 PolarHBondContact O-N 2.84Å; V377-I380 VanDerWaalsContact O-N 3.15Å; V377-D381 PolarHBondContact O-N 3.18Å
378K91.4Very high85.8Confident106 Ų10693.9 Ų93.946%0.46149%0.492SS..Hα-helixtrans-60.5-35.6178.7-70.2159-162.8161.60112.9E374 N375 L376 R382E374-K378 VanDerWaalsContact O-CD 3.23Å; E374-K378 WeakPolarHBondContact O-CD 3.23Å; E374-K378 WeakPolarHBondContact O-CE 3.23Å; E374-K378 VanDerWaalsContact O-CG 3.22Å; E374-K378 WeakPolarHBondContact O-CG 3.4Å; E374-K378 PolarHBondContact O-N 3.05Å; E374-K378 IonicContact OE1-NZ 2.67Å; E374-K378 PolarHBondContact OE1-NZ 3.22Å; N375-K378 PolarHBondContact O-N 3.39Å; L376-K378 PolarHBondContact O-N 3.35Å; K378-R382 WeakPolarHBondContact O-CB 3.46Å; K378-R382 PolarHBondContact O-N 2.8Å; K378-R382 VanDerWaalsContact O-N 3.13Å
379E87.4Confident86.6Confident88 Ų8888.1 Ų88.141%0.41147%0.472SS..Hα-helixtrans-79.5-31.6176.7-161.960.6-156.400112.2N375 L376 V377 R382 L383N375-E379 PolarHBondContact O-N 3.47Å; L376-E379 PolarHBondContact O-N 3.36Å; V377-E379 VanDerWaalsContact C-N 3.29Å; V377-E379 PolarHBondContact O-N 3.24Å; E379-R382 WeakPolarHBondContact O-CB 3.4Å; E379-R382 PolarHBondContact O-N 3.1Å; E379-R382 WeakPolarHBondContact OE1-CD 3.46Å; E379-R382 WeakPolarHBondContact OE2-CD 3.42Å; E379-R382 IonicContact OE2-NH1 2.67Å; E379-L383 WeakPolarHBondContact O-CB 3.26Å; E379-L383 VanDerWaalsContact O-CG 3.26Å; E379-L383 WeakPolarHBondContact O-CG 3.35Å; E379-L383 PolarHBondContact O-N 2.83Å
380I90.7Very high87.3Confident103 Ų10390.4 Ų90.453%0.52848%0.475SS..Hα-helixtrans-62.3-46.4169.4-70.4163.8000110.7L376 V377 R382 L383 A384L376-I380 WeakPolarHBondContact O-CB 3.22Å; L376-I380 VanDerWaalsContact O-CG1 3.25Å; L376-I380 WeakPolarHBondContact O-CG1 3.38Å; L376-I380 PolarHBondContact O-N 3.26Å; V377-I380 PolarHBondContact O-N 2.84Å; V377-I380 VanDerWaalsContact O-N 3.15Å; I380-R382 VanDerWaalsContact C-N 3.28Å; I380-R382 PolarHBondContact O-N 2.97Å; I380-L383 PolarHBondContact O-N 2.73Å; I380-A384 WeakPolarHBondContact O-CB 3.35Å; I380-A384 PolarHBondContact O-N 3.39Å
381D91.3Very high87.8Confident101 Ų10191.4 Ų91.454%0.5449%0.485SS..Hα-helixtrans-59.8-39.6175.3-69.8-30.7000111.5V377 A384 S385V377-D381 PolarHBondContact O-N 3.18Å; D381-A384 PolarHBondContact O-N 3.23Å; D381-S385 WeakPolarHBondContact O-CB 3.46Å; D381-S385 PolarHBondContact O-N 2.91Å
382R91.4Very high88.4Confident155 Ų15594.6 Ų94.659%0.58549%0.491SS*.Hα-helixtrans-65.5-43.9175.9-167.4-175.2-162.7163.83.7112.3K378 E379 I380 S385 L386K378-R382 WeakPolarHBondContact O-CB 3.46Å; K378-R382 PolarHBondContact O-N 2.8Å; K378-R382 VanDerWaalsContact O-N 3.13Å; E379-R382 WeakPolarHBondContact O-CB 3.4Å; E379-R382 PolarHBondContact O-N 3.1Å; E379-R382 WeakPolarHBondContact OE1-CD 3.46Å; E379-R382 WeakPolarHBondContact OE2-CD 3.42Å; E379-R382 IonicContact OE2-NH1 2.67Å; I380-R382 VanDerWaalsContact C-N 3.28Å; I380-R382 PolarHBondContact O-N 2.97Å; R382-S385 WeakPolarHBondContact O-CB 3.49Å; R382-S385 PolarHBondContact O-N 2.66Å; R382-L386 WeakPolarHBondContact O-CG 3.23Å; R382-L386 PolarHBondContact O-N 2.89Å
383L90.1Very high88.6Confident90 Ų9094.8 Ų94.847%0.47149%0.487SS..Hα-helixtrans-65.2-41.2175.9-72.3168.5000111.3E379 I380 S385 L386 L387E379-L383 WeakPolarHBondContact O-CB 3.26Å; E379-L383 VanDerWaalsContact O-CG 3.26Å; E379-L383 WeakPolarHBondContact O-CG 3.35Å; E379-L383 PolarHBondContact O-N 2.83Å; I380-L383 PolarHBondContact O-N 2.73Å; L383-S385 VanDerWaalsContact C-N 3.34Å; L383-S385 PolarHBondContact O-N 2.74Å; L383-L386 PolarHBondContact O-N 3.18Å; L383-L387 WeakPolarHBondContact O-CB 3.35Å; L383-L387 VanDerWaalsContact O-CG 3.3Å; L383-L387 WeakPolarHBondContact O-CG 3.42Å; L383-L387 PolarHBondContact O-N 2.82Å
384A89Confident88.9Confident55 Ų5596.6 Ų96.646%0.45550%0.496SS..Hα-helixtrans-60.9-41.7174.100000112I380 D381 L387 S388I380-A384 WeakPolarHBondContact O-CB 3.35Å; I380-A384 PolarHBondContact O-N 3.39Å; D381-A384 PolarHBondContact O-N 3.23Å; A384-L387 PolarHBondContact O-N 3.13Å; A384-S388 WeakPolarHBondContact O-CB 3.28Å; A384-S388 PolarHBondContact O-N 3.21Å
385S90.6Very high89.1Confident86 Ų8699 Ų9960%0.60151%0.507SS*.Hα-helixtrans-61.4-44.8173.7-170.20000112.3D381 R382 L383 S388 G389D381-S385 WeakPolarHBondContact O-CB 3.46Å; D381-S385 PolarHBondContact O-N 2.91Å; R382-S385 WeakPolarHBondContact O-CB 3.49Å; R382-S385 PolarHBondContact O-N 2.66Å; L383-S385 VanDerWaalsContact C-N 3.34Å; L383-S385 PolarHBondContact O-N 2.74Å; S385-S388 PolarHBondContact O-N 2.88Å; S385-G389 PolarHBondContact O-N 3.23Å
386L89.6Confident89.3Confident107 Ų10797.2 Ų97.256%0.5650%0.5SS*.Hα-helixtrans-65.1-41.7177-73.4168.1000112.7R382 L383 G389 K390R382-L386 WeakPolarHBondContact O-CG 3.23Å; R382-L386 PolarHBondContact O-N 2.89Å; L383-L386 PolarHBondContact O-N 3.18Å; L386-G389 WeakPolarHBondContact O-CA 3.41Å; L386-G389 PolarHBondContact O-N 2.97Å; L386-K390 PolarHBondContact O-N 3.03Å
387L87Confident89.3Confident122 Ų12299.6 Ų99.664%0.63950%0.503SS*.Hα-helixtrans-63.1-46.8175.8-74.2168000111.2L383 A384 G389 K390 E391L383-L387 WeakPolarHBondContact O-CB 3.35Å; L383-L387 VanDerWaalsContact O-CG 3.3Å; L383-L387 WeakPolarHBondContact O-CG 3.42Å; L383-L387 PolarHBondContact O-N 2.82Å; A384-L387 PolarHBondContact O-N 3.13Å; L387-G389 PolarHBondContact O-N 3.28Å; L387-K390 PolarHBondContact O-N 3.34Å; L387-E391 PolarHBondContact O-N 3.34Å
388S88.9Confident89.3Confident38 Ų38104.1 Ų104.127%0.26651%0.511SS..Hα-helixtrans-59.6-36173.4-1740000111.8A384 S385 R392A384-S388 WeakPolarHBondContact O-CB 3.28Å; A384-S388 PolarHBondContact O-N 3.21Å; S385-S388 PolarHBondContact O-N 2.88Å; S388-R392 PolarHBondContact O-N 3.45Å; S388-R392 PolarHBondContact O-NH1 2.87Å; S388-R392 PolarHBondContact OG-NH1 2.79Å; S388-R392 PolarHBondContact OG-NH2 3.17Å; S388-R392 VanDerWaalsContact OG-NH2 3.17Å
389G89.6Confident89.1Confident28 Ų28105 Ų10529%0.28952%0.517SS..Hα-helixtrans-59.5-48.5170.800000112.4S385 L386 L387 E391 R392 D393S385-G389 PolarHBondContact O-N 3.23Å; L386-G389 WeakPolarHBondContact O-CA 3.41Å; L386-G389 PolarHBondContact O-N 2.97Å; L387-G389 PolarHBondContact O-N 3.28Å; G389-E391 PolarHBondContact O-N 2.69Å; G389-R392 PolarHBondContact O-N 3.33Å; G389-D393 PolarHBondContact O-N 3.05Å; G389-D393 VanDerWaalsContact O-N 3.16Å
390K89.6Confident89Confident130 Ų130108.9 Ų108.957%0.56553%0.528SS*.Hα-helixtrans-69.3-30.2-180-70.8-70.8149.8-148.90113.9L386 L387 D393 L394L386-K390 PolarHBondContact O-N 3.03Å; L387-K390 PolarHBondContact O-N 3.34Å; K390-D393 IonicContact NZ-OD2 2.75Å; K390-D393 PolarHBondContact NZ-OD2 3Å; K390-D393 WeakPolarHBondContact O-CB 3.49Å; K390-D393 PolarHBondContact O-N 2.89Å; K390-L394 WeakPolarHBondContact O-CB 3.33Å; K390-L394 WeakPolarHBondContact O-CG 3.45Å; K390-L394 PolarHBondContact O-N 3.23Å
391E91.2Very high88.8Confident129 Ų129106.6 Ų106.660%0.60353%0.525SS*.Hα-helixtrans-61.6-45.1172.2-174.4177.1-153.200111.4L387 G389 L394 Q395L387-E391 PolarHBondContact O-N 3.34Å; G389-E391 PolarHBondContact O-N 2.69Å; E391-L394 PolarHBondContact O-N 3.38Å; E391-Q395 PolarHBondContact O-N 2.82Å
392R90.2Very high88.6Confident150 Ų150104.8 Ų104.857%0.56652%0.515SS*.Hα-helixtrans-63.4-43174.6-65.5-179.9-16881.90.6112.2S388 G389 L394 Q395 V396S388-R392 PolarHBondContact O-N 3.45Å; S388-R392 PolarHBondContact O-NH1 2.87Å; S388-R392 PolarHBondContact OG-NH1 2.79Å; S388-R392 PolarHBondContact OG-NH2 3.17Å; S388-R392 VanDerWaalsContact OG-NH2 3.17Å; G389-R392 PolarHBondContact O-N 3.33Å; R392-L394 PolarHBondContact O-N 3.04Å; R392-Q395 PolarHBondContact O-N 3.38Å; R392-V396 PolarHBondContact O-N 3.13Å; R392-V396 VanDerWaalsContact O-N 3.11Å
393D88.8Confident88.2Confident67 Ų67101.5 Ų101.536%0.35851%0.506SS..Hα-helixtrans-55.4-50.8174.1-75.2-19.1000110.8G389 K390 Q395 V396 Y397G389-D393 PolarHBondContact O-N 3.05Å; G389-D393 VanDerWaalsContact O-N 3.16Å; K390-D393 IonicContact NZ-OD2 2.75Å; K390-D393 PolarHBondContact NZ-OD2 3Å; K390-D393 WeakPolarHBondContact O-CB 3.49Å; K390-D393 PolarHBondContact O-N 2.89Å; D393-Q395 VanDerWaalsContact C-N 3.3Å; D393-Q395 PolarHBondContact O-N 3.01Å; D393-V396 PolarHBondContact O-N 2.83Å; D393-Y397 HydrophobicContact CB-CE2 4.26Å; D393-Y397 WeakPolarHBondContact O-CD2 3.45Å; D393-Y397 PolarHBondContact O-N 2.8Å
394L87.8Confident87.8Confident121 Ų12199.1 Ų99.163%0.63450%0.499SS*.Hα-helixtrans-60.7-37.4178.9-75.7169.4000112.5K390 E391 R392 V396 Y397 R398K390-L394 WeakPolarHBondContact O-CB 3.33Å; K390-L394 WeakPolarHBondContact O-CG 3.45Å; K390-L394 PolarHBondContact O-N 3.23Å; E391-L394 PolarHBondContact O-N 3.38Å; R392-L394 PolarHBondContact O-N 3.04Å; L394-V396 VanDerWaalsContact C-N 3.34Å; L394-V396 PolarHBondContact O-N 3.43Å; L394-Y397 PolarHBondContact O-N 3.02Å; L394-R398 PolarHBondContact O-N 2.9Å
395Q87.6Confident87.6Confident123 Ų123102.6 Ų102.658%0.57551%0.506SS*.Hα-helixtrans-67.4-34.1177.7-157166.625.300112.3E391 R392 D393 R398 Q399E391-Q395 PolarHBondContact O-N 2.82Å; R392-Q395 PolarHBondContact O-N 3.38Å; D393-Q395 VanDerWaalsContact C-N 3.3Å; D393-Q395 PolarHBondContact O-N 3.01Å; Q395-R398 PolarHBondContact O-N 3.14Å; Q395-Q399 WeakPolarHBondContact O-CG 3.37Å; Q395-Q399 PolarHBondContact O-N 3.48Å; Q395-Q399 VanDerWaalsContact O-N 3.11Å
396V89.6Confident87.3Confident65 Ų65106.1 Ų106.139%0.39451%0.506SS..Hα-helixtrans-69.3-39.4170.8174.80000111.6R392 D393 L394 R398 Q399 R400R392-V396 PolarHBondContact O-N 3.13Å; R392-V396 VanDerWaalsContact O-N 3.11Å; D393-V396 PolarHBondContact O-N 2.83Å; L394-V396 VanDerWaalsContact C-N 3.34Å; L394-V396 PolarHBondContact O-N 3.43Å; V396-R398 VanDerWaalsContact C-N 3.34Å; V396-Q399 PolarHBondContact O-N 3.03Å; V396-R400 WeakPolarHBondContact O-CG 3.2Å; V396-R400 PolarHBondContact O-N 2.94Å
397Y86.2Confident86.8Confident147 Ų147106.2 Ų106.258%0.57651%0.505SS*.Hα-helixtrans-64.4-38.3174-71-63.2000112.2D393 L394 R400 A401D393-Y397 HydrophobicContact CB-CE2 4.26Å; D393-Y397 WeakPolarHBondContact O-CD2 3.45Å; D393-Y397 PolarHBondContact O-N 2.8Å; L394-Y397 PolarHBondContact O-N 3.02Å; Y397-R400 PolarHBondContact O-N 3.31Å; Y397-A401 PolarHBondContact O-N 2.96Å
398R87.7Confident86.5Confident176 Ų176105.9 Ų105.966%0.66450%0.503SS*.Hα-helixtrans-60.3-51.6173.7-177.5177.9176.6173.82.2111.8L394 Q395 V396 R400 A401 D402L394-R398 PolarHBondContact O-N 2.9Å; Q395-R398 PolarHBondContact O-N 3.14Å; V396-R398 VanDerWaalsContact C-N 3.34Å; R398-R400 PolarHBondContact O-N 2.99Å; R398-R400 VanDerWaalsContact O-N 3.16Å; R398-A401 WeakPolarHBondContact O-CA 3.4Å; R398-A401 WeakPolarHBondContact O-CB 3.45Å; R398-A401 PolarHBondContact O-N 3.32Å; R398-D402 PolarHBondContact O-N 2.96Å
399Q87.6Confident86.1Confident124 Ų124107.4 Ų107.458%0.57951%0.511SS*.Hα-helixtrans-56.6-34.5177.7-72.7175.2-4.200112.9Q395 V396 E403Q395-Q399 WeakPolarHBondContact O-CG 3.37Å; Q395-Q399 PolarHBondContact O-N 3.48Å; Q395-Q399 VanDerWaalsContact O-N 3.11Å; V396-Q399 PolarHBondContact O-N 3.03Å; Q399-E403 WeakPolarHBondContact O-CB 3.33Å; Q399-E403 PolarHBondContact O-N 2.86Å; Q399-E403 VanDerWaalsContact O-N 3.12Å
400R84.5Confident85.5Confident169 Ų169108.5 Ų108.564%0.63851%0.51SS*.Hα-helixtrans-72.2-31.3174.5-70.3175.2179.2-176.51.1113.3V396 Y397 R398 A404V396-R400 WeakPolarHBondContact O-CG 3.2Å; V396-R400 PolarHBondContact O-N 2.94Å; Y397-R400 PolarHBondContact O-N 3.31Å; R398-R400 PolarHBondContact O-N 2.99Å; R398-R400 VanDerWaalsContact O-N 3.16Å; R400-A404 WeakPolarHBondContact O-CB 3.47Å; R400-A404 PolarHBondContact O-N 3.01Å; R400-A404 VanDerWaalsContact O-N 3.09Å
401A85.8Confident85Confident56 Ų56105.8 Ų105.846%0.46350%0.501SS..Hα-helixtrans-71.4-46.8172.900000111.1Y397 R398 E403 A404 E405Y397-A401 PolarHBondContact O-N 2.96Å; R398-A401 WeakPolarHBondContact O-CA 3.4Å; R398-A401 WeakPolarHBondContact O-CB 3.45Å; R398-A401 PolarHBondContact O-N 3.32Å; A401-E403 PolarHBondContact O-N 3.32Å; A401-A404 WeakPolarHBondContact O-CB 3.42Å; A401-A404 PolarHBondContact O-N 3.13Å; A401-A404 VanDerWaalsContact O-N 3.08Å; A401-E405 PolarHBondContact O-N 3.26Å
402D87.2Confident84.2Confident62 Ų62102.8 Ų102.833%0.33250%0.495SS..Hα-helixtrans-55.7-40.3176-55.3-23.6000110.9R398 E405 R406R398-D402 PolarHBondContact O-N 2.96Å; D402-E405 PolarHBondContact O-N 3.16Å; D402-R406 PolarHBondContact O-N 3.49Å; D402-R406 VanDerWaalsContact O-N 3.1Å
403E83.4Confident83.4Confident87 Ų87101.2 Ų101.241%0.40749%0.493SS..Hα-helixtrans-74.9-33.2177.4-166.757.8-155.500113.3Q399 A401 E405 R406 M407Q399-E403 WeakPolarHBondContact O-CB 3.33Å; Q399-E403 PolarHBondContact O-N 2.86Å; Q399-E403 VanDerWaalsContact O-N 3.12Å; A401-E403 PolarHBondContact O-N 3.32Å; E403-E405 VanDerWaalsContact C-N 3.32Å; E403-R406 PolarHBondContact O-N 3.39Å; E403-R406 WeakPolarHBondContact OE2-CD 3.41Å; E403-R406 IonicContact OE2-CZ 3.77Å; E403-R406 IonicContact OE2-NH1 3.62Å; E403-R406 PolarHBondContact OE2-NH1 2.98Å; E403-M407 PolarHBondContact O-N 2.87Å
404A81.9Confident82.8Confident39 Ų39102.2 Ų102.232%0.32249%0.492SS..Hα-helixtrans-64.7-37170.900000111.8R400 A401 M407 L408R400-A404 WeakPolarHBondContact O-CB 3.47Å; R400-A404 PolarHBondContact O-N 3.01Å; R400-A404 VanDerWaalsContact O-N 3.09Å; A401-A404 WeakPolarHBondContact O-CB 3.42Å; A401-A404 PolarHBondContact O-N 3.13Å; A401-A404 VanDerWaalsContact O-N 3.08Å; A404-M407 HydrophobicContact CB-CE 4.49Å; A404-M407 PolarHBondContact O-N 3.18Å; A404-L408 WeakPolarHBondContact O-CG 3.38Å; A404-L408 PolarHBondContact O-N 3.24Å
405E85.3Confident81.9Confident128 Ų128102.8 Ų102.860%0.59849%0.492SS*.Hα-helixtrans-66.9-38174.3-171.8169.5-157.400112.2A401 D402 E403 L408 T409A401-E405 PolarHBondContact O-N 3.26Å; D402-E405 PolarHBondContact O-N 3.16Å; E403-E405 VanDerWaalsContact C-N 3.32Å; E405-L408 PolarHBondContact O-N 3.46Å; E405-T409 WeakPolarHBondContact O-CB 3.46Å; E405-T409 PolarHBondContact O-N 3.49Å; E405-T409 PolarHBondContact O-OG1 3.36Å
406R83.6Confident81.1Confident160 Ų160101.9 Ų101.960%0.60449%0.491SS*.Hα-helixtrans-58.9-47.5169-72.4-165.2-175.199.79.2112.1D402 E403 L408 T409 L410D402-R406 PolarHBondContact O-N 3.49Å; D402-R406 VanDerWaalsContact O-N 3.1Å; E403-R406 PolarHBondContact O-N 3.39Å; E403-R406 WeakPolarHBondContact OE2-CD 3.41Å; E403-R406 IonicContact OE2-CZ 3.77Å; E403-R406 IonicContact OE2-NH1 3.62Å; E403-R406 PolarHBondContact OE2-NH1 2.98Å; R406-L408 PolarHBondContact O-N 2.92Å; R406-T409 WeakPolarHBondContact O-CB 3.17Å; R406-T409 PolarHBondContact O-N 2.99Å; R406-L410 PolarHBondContact O-N 2.85Å
407M79.5Confident80.2Confident109 Ų109102.6 Ų102.654%0.53750%0.495SS..Hα-helixtrans-61.7-42178.4-72.4-171.8-72.700112.1E403 A404 L410 I411E403-M407 PolarHBondContact O-N 2.87Å; A404-M407 HydrophobicContact CB-CE 4.49Å; A404-M407 PolarHBondContact O-N 3.18Å; M407-L410 PolarHBondContact O-N 3.46Å; M407-I411 WeakPolarHBondContact O-CD1 3.41Å; M407-I411 VanDerWaalsContact O-CG1 3.28Å; M407-I411 WeakPolarHBondContact O-CG1 3.28Å; M407-I411 PolarHBondContact O-N 3.09Å
408L79.9Confident79.4Confident115 Ų11598.1 Ų98.160%0.60248%0.48SS*.Hα-helixtrans-64.4-39.1175-72.7169.4000112.6A404 E405 R406 L410 I411 S412A404-L408 WeakPolarHBondContact O-CG 3.38Å; A404-L408 PolarHBondContact O-N 3.24Å; E405-L408 PolarHBondContact O-N 3.46Å; R406-L408 PolarHBondContact O-N 2.92Å; L408-L410 VanDerWaalsContact C-N 3.34Å; L408-I411 HydrophobicContact CD2-CD1 4.35Å; L408-I411 PolarHBondContact O-N 3.23Å; L408-S412 PolarHBondContact O-N 2.9Å
409T81.1Confident78.4Confident71 Ų7192 Ų9244%0.43647%0.468SS..Hα-helixtrans-62-43.1174.1-58.10000111E405 R406 S412 Q413E405-T409 WeakPolarHBondContact O-CB 3.46Å; E405-T409 PolarHBondContact O-N 3.49Å; E405-T409 PolarHBondContact O-OG1 3.36Å; R406-T409 WeakPolarHBondContact O-CB 3.17Å; R406-T409 PolarHBondContact O-N 2.99Å; T409-S412 WeakPolarHBondContact O-CB 3.5Å; T409-S412 PolarHBondContact O-N 3.22Å; T409-Q413 WeakPolarHBondContact O-CG 3.16Å; T409-Q413 PolarHBondContact O-N 3.13Å
410L77.3Confident77.3Confident50 Ų5089.1 Ų89.126%0.26246%0.461SS..Hα-helixtrans-66-40.7177.5-154111.6000111.9R406 M407 L408 S412 Q413 W414 P461R406-L410 PolarHBondContact O-N 2.85Å; M407-L410 PolarHBondContact O-N 3.46Å; L408-L410 VanDerWaalsContact C-N 3.34Å; L410-S412 VanDerWaalsContact C-N 3.33Å; L410-S412 PolarHBondContact O-N 3.49Å; L410-Q413 PolarHBondContact O-N 2.96Å; L410-W414 PolarHBondContact O-N 3.25Å; L410-P461 HydrophobicContact CD1-CG 4.15Å; L410-P461 HydrophobicContact CD2-CG 3.82Å
411I79.1Confident76.1Confident74 Ų7483 Ų8338%0.37945%0.447SS..Hα-helixtrans-57.1-46.6172.1-71.3158.6000110.9M407 L408 Q413 W414 H415 W471M407-I411 WeakPolarHBondContact O-CD1 3.41Å; M407-I411 VanDerWaalsContact O-CG1 3.28Å; M407-I411 WeakPolarHBondContact O-CG1 3.28Å; M407-I411 PolarHBondContact O-N 3.09Å; L408-I411 HydrophobicContact CD2-CD1 4.35Å; L408-I411 PolarHBondContact O-N 3.23Å; I411-Q413 PolarHBondContact O-N 3.19Å; I411-W414 PolarHBondContact O-N 3.49Å; I411-H415 PolarHBondContact O-N 3.08Å; I411-W471 HydrophobicContact CB-CH2 4.4Å; I411-W471 HydrophobicContact CD1-CZ2 4.27Å; I411-W471 HydrophobicContact CG1-CH2 3.61Å; I411-W471 HydrophobicContact CG1-CZ2 3.5Å
412S73Confident74.5Confident66 Ų6686.5 Ų86.546%0.46245%0.448SS..Hα-helixtrans-60.9-43.1178.5-174.10000112.2L408 T409 L410 H415 N416L408-S412 PolarHBondContact O-N 2.9Å; T409-S412 WeakPolarHBondContact O-CB 3.5Å; T409-S412 PolarHBondContact O-N 3.22Å; L410-S412 VanDerWaalsContact C-N 3.33Å; L410-S412 PolarHBondContact O-N 3.49Å; S412-H415 PolarHBondContact O-N 3.29Å; S412-N416 PolarHBondContact O-N 3.44Å; S412-N416 VanDerWaalsContact O-N 3.08Å; S412-N416 PolarHBondContact O-ND2 3.38Å
413Q74.9Confident72.6Confident116 Ų11687.3 Ų87.354%0.54246%0.458SS..Hα-helixtrans-60.5-47.4175.2-69.7174.48.200111.9T409 L410 I411 H415 N416 V417T409-Q413 WeakPolarHBondContact O-CG 3.16Å; T409-Q413 PolarHBondContact O-N 3.13Å; L410-Q413 PolarHBondContact O-N 2.96Å; I411-Q413 PolarHBondContact O-N 3.19Å; Q413-H415 VanDerWaalsContact C-N 3.33Å; Q413-H415 PolarHBondContact O-N 2.92Å; Q413-N416 PolarHBondContact O-N 3.46Å; Q413-V417 WeakPolarHBondContact O-CG2 3.48Å; Q413-V417 PolarHBondContact O-N 2.9Å; Q413-V417 VanDerWaalsContact O-N 3.11Å
414W75.5Confident71Confident88 Ų8889.3 Ų89.333%0.33347%0.467SS..Hα-helixtrans-59.4-41.8175.4-89.285.8000112.6L410 I411 N416 V417 I418 P460 W471L410-W414 PolarHBondContact O-N 3.25Å; I411-W414 PolarHBondContact O-N 3.49Å; W414-N416 VanDerWaalsContact C-N 3.34Å; W414-N416 PolarHBondContact O-N 3.14Å; W414-V417 PolarHBondContact O-N 3.49Å; W414-I418 WeakPolarHBondContact O-CG1 3.28Å; W414-I418 PolarHBondContact O-N 3.45Å; W414-P460 HydrophobicContact CZ2-CB 4.05Å; W414-P460 HydrophobicContact CZ2-CG 4.46Å; W414-W471 HydrophobicContact CG-CZ3 4.48Å
415H69.5Low69.3Low134 Ų13491.5 Ų91.562%0.6248%0.476SS*.Hα-helixtrans-63.9-39.4179.6-148.1-120.2000112I411 S412 Q413 I418 A419I411-H415 PolarHBondContact O-N 3.08Å; S412-H415 PolarHBondContact O-N 3.29Å; Q413-H415 VanDerWaalsContact C-N 3.33Å; Q413-H415 PolarHBondContact O-N 2.92Å; H415-I418 PolarHBondContact O-N 3.04Å; H415-A419 WeakPolarHBondContact O-CB 3.34Å; H415-A419 PolarHBondContact O-N 2.89Å
416N69.9Low67.3Low103 Ų10391.2 Ų91.255%0.55148%0.478SS*.Hα-helixtrans-66.6-38.3175.3-72.7-52.2000113S412 Q413 W414 A419 S420S412-N416 PolarHBondContact O-N 3.44Å; S412-N416 VanDerWaalsContact O-N 3.08Å; S412-N416 PolarHBondContact O-ND2 3.38Å; Q413-N416 PolarHBondContact O-N 3.46Å; W414-N416 VanDerWaalsContact C-N 3.34Å; W414-N416 PolarHBondContact O-N 3.14Å; N416-A419 PolarHBondContact O-N 3.24Å; N416-S420 WeakPolarHBondContact O-CB 3.23Å; N416-S420 PolarHBondContact O-N 3.49Å
417V70.9Confident65.2Low80 Ų8089.9 Ų89.949%0.48548%0.483SS..Hα-helixtrans-63-44.6174.2172.30000111Q413 W414 S420 A421Q413-V417 WeakPolarHBondContact O-CG2 3.48Å; Q413-V417 PolarHBondContact O-N 2.9Å; Q413-V417 VanDerWaalsContact O-N 3.11Å; W414-V417 PolarHBondContact O-N 3.49Å; V417-S420 PolarHBondContact O-N 3.28Å; V417-A421 PolarHBondContact O-N 2.9Å
418I70.4Confident63.4Low53 Ų5393 Ų9327%0.27250%0.496SS..Hα-helixtrans-65.1-41178.2-66.7166.9000111.2W414 H415 A421 R422 L475W414-I418 WeakPolarHBondContact O-CG1 3.28Å; W414-I418 PolarHBondContact O-N 3.45Å; H415-I418 PolarHBondContact O-N 3.04Å; I418-A421 PolarHBondContact O-N 3.13Å; I418-R422 PolarHBondContact O-N 2.88Å; I418-R422 VanDerWaalsContact O-N 3.12Å; I418-L475 HydrophobicContact CD1-CD2 3.48Å; I418-L475 VanDerWaalsContact CD1-CD2 3.48Å
419A66Low61.6Low48 Ų4891.9 Ų91.940%0.39750%0.503SS..Hα-helixtrans-62.3-43.8174.900000112.1H415 N416 A421 R422 C423H415-A419 WeakPolarHBondContact O-CB 3.34Å; H415-A419 PolarHBondContact O-N 2.89Å; N416-A419 PolarHBondContact O-N 3.24Å; A419-A421 PolarHBondContact O-N 3.42Å; A419-R422 PolarHBondContact O-N 3.01Å; A419-C423 PolarHBondContact O-N 2.72Å; A419-C423 VanDerWaalsContact O-N 3.12Å; A419-C423 PolarHBondContact O-SG 2.96Å
420S65.4Low59.3Low63 Ų6391.5 Ų91.544%0.44151%0.514SS..Hα-helixtrans-60.5-43.7176.8-171.10000112.3N416 V417 R422 C423 Q424N416-S420 WeakPolarHBondContact O-CB 3.23Å; N416-S420 PolarHBondContact O-N 3.49Å; V417-S420 PolarHBondContact O-N 3.28Å; S420-R422 VanDerWaalsContact C-N 3.32Å; S420-R422 PolarHBondContact O-N 2.98Å; S420-C423 PolarHBondContact O-N 3.19Å; S420-C423 VanDerWaalsContact O-N 3.13Å; S420-Q424 PolarHBondContact O-N 2.76Å; S420-Q424 VanDerWaalsContact O-N 3.16Å
421A58Low57Low41 Ų4197.2 Ų97.234%0.33954%0.541SS..Hα-helixtrans-63.2-34.6175.900000113.2V417 I418 A419 T425V417-A421 PolarHBondContact O-N 2.9Å; I418-A421 PolarHBondContact O-N 3.13Å; A419-A421 PolarHBondContact O-N 3.42Å; A421-T425 PolarHBondContact O-N 3.3Å; A421-T425 PolarHBondContact O-OG1 2.99Å
422R53Low54.8Low130 Ų130100.3 Ų100.349%0.49156%0.564SS.*Hα-helixtrans-67-34.3172.7-75.7-177.6170.9-174.3-3.8112.6I418 A419 S420 T425 D479I418-R422 PolarHBondContact O-N 2.88Å; I418-R422 VanDerWaalsContact O-N 3.12Å; A419-R422 PolarHBondContact O-N 3.01Å; S420-R422 VanDerWaalsContact C-N 3.32Å; S420-R422 PolarHBondContact O-N 2.98Å; R422-T425 PolarHBondContact O-OG1 3.49Å; R422-D479 IonicContact CZ-OD1 2.85Å; R422-D479 VanDerWaalsContact CZ-OD1 3.32Å; R422-D479 IonicContact NH1-OD1 3.7Å; R422-D479 PolarHBondContact NH1-OD1 3.37Å; R422-D479 IonicContact NH2-OD1 3.06Å; R422-D479 PolarHBondContact NH2-OD1 3.18Å; R422-D479 IonicContact NH2-OD2 3.51Å
423C48.1Very low52.6Low79 Ų79104.8 Ų104.853%0.53458%0.581SS.*Hα-helixtrans-69.9-39.1175.7-68.10000112.7A419 S420 T425 I426A419-C423 PolarHBondContact O-N 2.72Å; A419-C423 VanDerWaalsContact O-N 3.12Å; A419-C423 PolarHBondContact O-SG 2.96Å; S420-C423 PolarHBondContact O-N 3.19Å; S420-C423 VanDerWaalsContact O-N 3.13Å; C423-T425 PolarHBondContact O-N 2.85Å; C423-I426 PolarHBondContact O-N 3.21Å
424Q48.5Very low50.7Low129 Ų129106 Ų10660%0.60360%0.596SS**Hα-helixtrans-66.7-36-179.2-68.3-178.24.400113.1S420 I426 N427S420-Q424 PolarHBondContact O-N 2.76Å; S420-Q424 VanDerWaalsContact O-N 3.16Å; Q424-I426 VanDerWaalsContact C-N 3.32Å; Q424-I426 PolarHBondContact O-N 3.32Å; Q424-N427 PolarHBondContact O-N 3.43Å
425T46.6Very low48.5Very low84 Ų84107.2 Ų107.252%0.51561%0.613SS.*Hα-helixtrans-70.6-23.9179.532.70000113.7A421 R422 C423A421-T425 PolarHBondContact O-N 3.3Å; A421-T425 PolarHBondContact O-OG1 2.99Å; R422-T425 PolarHBondContact O-OG1 3.49Å; C423-T425 PolarHBondContact O-N 2.85Å
426I43Very low46.7Very low123 Ų123108 Ų10863%0.63163%0.627SS**Hα-helixtrans-72.2-39.7174.3-67.2169.6000111C423 Q424 Q428 A429C423-I426 PolarHBondContact O-N 3.21Å; Q424-I426 VanDerWaalsContact C-N 3.32Å; Q424-I426 PolarHBondContact O-N 3.32Å; I426-Q428 VanDerWaalsContact C-N 3.3Å; I426-Q428 PolarHBondContact O-N 2.94Å; I426-A429 PolarHBondContact O-N 3.04Å
427N39.7Very low44.7Very low132 Ų132105.6 Ų105.671%0.70663%0.627SS**Hα-helixtrans-70-23-176.9-71.2-14.7000113.7Q424Q424-N427 PolarHBondContact O-N 3.43Å
428Q41.8Very low42.8Very low173 Ų173109 Ų10981%0.80865%0.648SS**THydrogen-bonded Turntrans-80.1-15.7176.2-68.7-174.5-10.800113.7I426 G430I426-Q428 VanDerWaalsContact C-N 3.3Å; I426-Q428 PolarHBondContact O-N 2.94Å; Q428-G430 VanDerWaalsContact C-N 3.32Å
429A42.2Very low40.7Very low92 Ų92113.9 Ų113.976%0.7668%0.675SS**THydrogen-bonded Turntrans-84.8-0.7177.500000114I426I426-A429 PolarHBondContact O-N 3.04Å
430G33.3Very low39.4Very low64 Ų64116.9 Ų116.966%0.6669%0.69SS**SBendtrans-98.1-5.9-167.200000117.5Q428Q428-G430 VanDerWaalsContact C-N 3.32Å
431M27.9Very low37.6Very low169 Ų169120.8 Ų120.883%0.83371%0.705SS**  trans-131.389.6-172.6-72.3-170.271.500114.1
432T32.7Very low36.2Very low140 Ų140126.5 Ų126.586%0.85972%0.724SS**  179.7125.6124.822.60000110.9
433I27.9Very low34.8Very low159 Ų159126.9 Ų126.982%0.81574%0.735SS**  trans-128.4106.5163.5-60.5178.1000107.6
434V33.7Very low33.7Very low143 Ų143127.3 Ų127.387%0.86774%0.739SS**  trans-135142.4159.6-176.70000106.5
435T29.8Very low32.5Very low113 Ų113128.5 Ų128.569%0.69375%0.749SS**  trans-106.8173.2-163.947.10000113.3
436V32.8Very low31.6Very low149 Ų149132.8 Ų132.890%0.90376%0.763SS**  trans77.9130.8178-166.60000114.1
437G26.5Very low30.9Very low54 Ų54132.9 Ų132.956%0.55777%0.77SS**  cis168155.6-9.100000113.9
438T30.8Very low30.3Very low150 Ų150132.4 Ų132.492%0.9277%0.774SS**  trans72153.8175.467.20000118.8
439N27.9Very low29.6Very low157 Ų157129.5 Ų129.584%0.8477%0.773SS**  trans-131175.1-174.4-84.3-19.4000108
440P38Very low28.8Very low110 Ų110130.5 Ų130.571%0.71477%0.774SS**  cis-136.2-164.4-7.923.53.3000114.7
441I26.7Very low28.6Very low146 Ų146133 Ų13375%0.74978%0.781SS**  trans113.1127.3146.1-57.6177.1000118.3
442H29Very low28.6Very low160 Ų160128.8 Ų128.874%0.74177%0.769SS**  trans64.7133.9169-91.2-122.4000118
443L24.9Very low28.5Very low138 Ų138129.6 Ų129.672%0.72377%0.767SS**  68.4120.952.2-73.3161.4000112.5
444S24.3Very low28.5Very low89 Ų89129.1 Ų129.162%0.62277%0.766SS**  cis-149173.612.5-58.70000112.8
445D23.7Very low28.5Very low154 Ų154128 Ų12882%0.82476%0.755SS**  trans49108.4154.5-54.5-24.8000120.6
446E27.5Very low28.8Very low173 Ų173127.9 Ų127.981%0.80876%0.756SS**  -165.6163.9127.3-106.4-61.4159.800109.1
447T27.6Very low28.8Very low125 Ų125129.2 Ų129.277%0.76775%0.75SS**  trans-79.9149.2-16960.40000114.9
448P28.1Very low29.2Very low122 Ų122133.7 Ų133.779%0.79276%0.758SS**  trans-125.1147.9139.236-29.3000112.7
449S27.2Very low29.5Very low113 Ų113133.7 Ų133.779%0.7975%0.748SS**  trans-66.3148.5-176.245.30000114S451S449-S451 PolarHBondContact O-N 3.34Å; S449-S451 VanDerWaalsContact O-N 3.09Å
450S25.3Very low30.2Very low112 Ų112127.9 Ų127.978%0.78372%0.718SS**  trans-65.6104.9166.143.40000110.3S452S450-S452 PolarHBondContact O-N 2.93Å
451S28.7Very low30.4Very low116 Ų116126.6 Ų126.681%0.81171%0.71SS**  trans-70.977.9169.260.20000110.3S449 L453S449-S451 PolarHBondContact O-N 3.34Å; S449-S451 VanDerWaalsContact O-N 3.09Å; S451-L453 PolarHBondContact O-N 3.4Å
452S27.4Very low31.3Very low82 Ų82122.1 Ų122.157%0.57369%0.685SS**  trans-54.6131.6172.452.90000110.8S450 N454S450-S452 PolarHBondContact O-N 2.93Å; S452-N454 PolarHBondContact O-N 3.39Å
453L29.9Very low32.1Very low157 Ų157125 Ų12582%0.82270%0.696SS**  trans-63.995173.1-74.7166.3000110S451 L455S451-L453 PolarHBondContact O-N 3.4Å; L453-L455 PolarHBondContact O-N 2.99Å
454N28Very low33.8Very low148 Ų148120.3 Ų120.379%0.79168%0.675SS**  trans-7179.7171.3-83.5-31.8000110.1S452S452-N454 PolarHBondContact O-N 3.39Å
455L34.8Very low35.4Very low119 Ų119122.7 Ų122.762%0.62368%0.676SS**  trans-59.9132.6157.6-77.4162.3000108.5L453L453-L455 PolarHBondContact O-N 2.99Å
456P35.1Very low37.5Very low111 Ų111121.9 Ų121.972%0.72167%0.671SS**  trans-57.2141.7178.6-26.235.1000112.3M458P456-M458 PolarHBondContact O-N 3.28Å
457F33.6Very low38.9Very low178 Ų178116.8 Ų116.878%0.78165%0.65SS**  trans-67.891.9-174.3-171.6-90.3000111.8Q459F457-Q459 HydrophobicContact CE1-CG 4.02Å; F457-Q459 HydrophobicContact CZ-CG 4.09Å
458M34.9Very low40.4Very low147 Ų147115.1 Ų115.172%0.72463%0.632SS**  trans-118.9108.2167.9-74.7-94.870.700108.8P456 P460P456-M458 PolarHBondContact O-N 3.28Å; M458-P460 WeakPolarHBondContact O-CD 3.36Å
459Q37.7Very low42.4Very low151 Ų151115.7 Ų115.771%0.70662%0.622SS**  trans-68.5125.1172.2-73.9-177.7-36.200109.5F457F457-Q459 HydrophobicContact CE1-CG 4.02Å; F457-Q459 HydrophobicContact CZ-CG 4.09Å
460P41.4Very low44.2Very low34 Ų34119.4 Ų119.422%0.22162%0.618CS.*  trans-72.5153.817032.1-35000110.3W414 M458 F462W414-P460 HydrophobicContact CZ2-CB 4.05Å; W414-P460 HydrophobicContact CZ2-CG 4.46Å; M458-P460 WeakPolarHBondContact O-CD 3.36Å; P460-F462 HydrophobicContact CB-CD2 3.65Å; P460-F462 HydrophobicContact CB-CE2 3.76Å; P460-F462 HydrophobicContact CG-CD2 3.81Å; P460-F462 HydrophobicContact CG-CE2 4.3Å; P460-F462 PolarHBondContact O-N 3.41Å
461P43Very low46.1Very low83 Ų83117.7 Ų117.754%0.53960%0.595SS.*SBendtrans-7861.2-17734.3-36.9000112.1L410L410-P461 HydrophobicContact CD1-CG 4.15Å; L410-P461 HydrophobicContact CD2-CG 3.82Å
462F44.5Very low48Very low53 Ų53118.4 Ų118.423%0.23259%0.585CS.*  trans-122.9117.7178.6-58.9-48000110.8P460 S464 D467 W471P460-F462 HydrophobicContact CB-CD2 3.65Å; P460-F462 HydrophobicContact CB-CE2 3.76Å; P460-F462 HydrophobicContact CG-CD2 3.81Å; P460-F462 HydrophobicContact CG-CE2 4.3Å; P460-F462 PolarHBondContact O-N 3.41Å; F462-S464 PolarHBondContact O-N 3.18Å; F462-D467 HydrophobicContact CB-CB 4.03Å; F462-D467 HydrophobicContact CG-CB 4.32Å; F462-W471 AromaticContact CE2-CD1 3.89Å; F462-W471 AromaticContact CE2-CD2 4Å; F462-W471 HydrophobicContact CE2-CD2 4Å; F462-W471 AromaticContact CE2-CE2 3.98Å; F462-W471 AromaticContact CE2-CG 3.95Å; F462-W471 HydrophobicContact CE2-CG 3.95Å; F462-W471 AromaticContact CE2-NE1 3.93Å; F462-W471 AromaticContact CZ-CD1 3.7Å; F462-W471 HydrophobicContact CZ-CD2 4.09Å; F462-W471 AromaticContact CZ-CE2 3.59Å; F462-W471 HydrophobicContact CZ-CG 4.16Å; F462-W471 HydrophobicContact CZ-CZ2 4.06Å; F462-W471 AromaticContact CZ-NE1 3.34Å; F462-W471 VanDerWaalsContact CZ-NE1 3.34Å
463F46.1Very low50Low219 Ų219118.7 Ų118.796%0.96158%0.58SS**SBendtrans-77.83.7-174-78.4-87.9000114.6
464S60.2Low51.9Low40 Ų40113 Ų11328%0.2856%0.56SS.*SBendtrans-138.7151.9174.189.90000113.9F462 L466 D467F462-S464 PolarHBondContact O-N 3.18Å; S464-L466 PolarHBondContact O-N 3.18Å; S464-L466 WeakPolarHBondContact OG-CB 3.09Å; S464-L466 PolarHBondContact OG-N 2.98Å; S464-D467 WeakPolarHBondContact CB-OD2 3.22Å; S464-D467 PolarHBondContact O-N 2.99Å; S464-D467 VanDerWaalsContact OG-CG 3.24Å; S464-D467 PolarHBondContact OG-N 3.15Å; S464-D467 VanDerWaalsContact OG-N 3.07Å; S464-D467 PolarHBondContact OG-OD2 2.79Å
465E59.3Low53.7Low139 Ų139109.1 Ų109.165%0.6554%0.539SS*.Hα-helixtrans-58.9-32.7167.1-80-71.5104.300112.3K468 K469E465-K468 PolarHBondContact O-N 3.22Å; E465-K468 IonicContact OE1-NZ 2.68Å; E465-K468 PolarHBondContact OE1-NZ 3.32Å; E465-K469 PolarHBondContact O-N 3.34Å; E465-K469 VanDerWaalsContact O-N 3.11Å
466L67.9Low55.4Low138 Ų138107.6 Ų107.672%0.72353%0.534SS*.Hα-helixtrans-66.5-40.8-176.7-151.880.8000111.2S464 K469 R470S464-L466 PolarHBondContact O-N 3.18Å; S464-L466 WeakPolarHBondContact OG-CB 3.09Å; S464-L466 PolarHBondContact OG-N 2.98Å; L466-K469 PolarHBondContact O-N 3.2Å; L466-R470 VanDerWaalsContact O-CB 3.31Å; L466-R470 WeakPolarHBondContact O-CB 3.37Å; L466-R470 PolarHBondContact O-N 2.67Å
467D56Low57Low66 Ų66106.2 Ų106.235%0.35352%0.518SS..Hα-helixtrans-66.5-44.3178.2-63.3-54.7000111.3F462 S464 K469 R470 W471F462-D467 HydrophobicContact CB-CB 4.03Å; F462-D467 HydrophobicContact CG-CB 4.32Å; S464-D467 WeakPolarHBondContact CB-OD2 3.22Å; S464-D467 PolarHBondContact O-N 2.99Å; S464-D467 VanDerWaalsContact OG-CG 3.24Å; S464-D467 PolarHBondContact OG-N 3.15Å; S464-D467 VanDerWaalsContact OG-N 3.07Å; S464-D467 PolarHBondContact OG-OD2 2.79Å; D467-K469 VanDerWaalsContact C-N 3.34Å; D467-K469 PolarHBondContact O-N 3.24Å; D467-R470 PolarHBondContact O-N 3.06Å; D467-W471 WeakPolarHBondContact O-CB 3.43Å; D467-W471 PolarHBondContact O-N 3.47Å
468K59Low58.3Low90 Ų90100.5 Ų100.539%0.39150%0.503SS..Hα-helixtrans-55.8-48.3174.7-61.8177.5-163.91660111.4E465 W471 H472E465-K468 PolarHBondContact O-N 3.22Å; E465-K468 IonicContact OE1-NZ 2.68Å; E465-K468 PolarHBondContact OE1-NZ 3.32Å; K468-W471 PolarHBondContact O-N 2.84Å; K468-H472 PolarHBondContact O-N 3.39Å
469K70.4Confident59.8Low133 Ų13395.3 Ų95.358%0.57848%0.479SS*.Hα-helixtrans-61.7-48.2178.2-179.7175.1177.4179.80110.9E465 L466 D467 W471 H472 D473E465-K469 PolarHBondContact O-N 3.34Å; E465-K469 VanDerWaalsContact O-N 3.11Å; L466-K469 PolarHBondContact O-N 3.2Å; D467-K469 VanDerWaalsContact C-N 3.34Å; D467-K469 PolarHBondContact O-N 3.24Å; K469-W471 VanDerWaalsContact C-N 3.26Å; K469-W471 PolarHBondContact O-N 3.11Å; K469-H472 WeakPolarHBondContact O-CB 3.43Å; K469-H472 PolarHBondContact O-N 3.14Å; K469-D473 WeakPolarHBondContact CE-OD2 3.34Å; K469-D473 VanDerWaalsContact O-CG 3.3Å; K469-D473 PolarHBondContact O-N 3.23Å
470R66Low61.7Low191 Ų19192.9 Ų92.972%0.72146%0.463SS*.Hα-helixtrans-62.3-32.8-179.6-164.8177.2-174.3-150.90.5112.7L466 D467 G474L466-R470 VanDerWaalsContact O-CB 3.31Å; L466-R470 WeakPolarHBondContact O-CB 3.37Å; L466-R470 PolarHBondContact O-N 2.67Å; D467-R470 PolarHBondContact O-N 3.06Å; R470-G474 PolarHBondContact O-N 2.82Å; R470-G474 VanDerWaalsContact O-N 3.08Å
471W64.4Low63Low76 Ų7695 Ų9529%0.28847%0.472SS..Hα-helixtrans-67.9-43.7170.9-119.577.5000112.5I411 W414 F462 D467 K468 K469 G474 L475I411-W471 HydrophobicContact CB-CH2 4.4Å; I411-W471 HydrophobicContact CD1-CZ2 4.27Å; I411-W471 HydrophobicContact CG1-CH2 3.61Å; I411-W471 HydrophobicContact CG1-CZ2 3.5Å; W414-W471 HydrophobicContact CG-CZ3 4.48Å; F462-W471 AromaticContact CE2-CD1 3.89Å; F462-W471 AromaticContact CE2-CD2 4Å; F462-W471 HydrophobicContact CE2-CD2 4Å; F462-W471 AromaticContact CE2-CE2 3.98Å; F462-W471 AromaticContact CE2-CG 3.95Å; F462-W471 HydrophobicContact CE2-CG 3.95Å; F462-W471 AromaticContact CE2-NE1 3.93Å; F462-W471 AromaticContact CZ-CD1 3.7Å; F462-W471 HydrophobicContact CZ-CD2 4.09Å; F462-W471 AromaticContact CZ-CE2 3.59Å; F462-W471 HydrophobicContact CZ-CG 4.16Å; F462-W471 HydrophobicContact CZ-CZ2 4.06Å; F462-W471 AromaticContact CZ-NE1 3.34Å; F462-W471 VanDerWaalsContact CZ-NE1 3.34Å; D467-W471 WeakPolarHBondContact O-CB 3.43Å; D467-W471 PolarHBondContact O-N 3.47Å; K468-W471 PolarHBondContact O-N 2.84Å; K469-W471 VanDerWaalsContact C-N 3.26Å; K469-W471 PolarHBondContact O-N 3.11Å; W471-G474 PolarHBondContact O-N 2.77Å; W471-L475 HydrophobicContact CD2-CD1 4.34Å; W471-L475 HydrophobicContact CE3-CD1 3.49Å; W471-L475 VanDerWaalsContact CE3-CD1 3.49Å; W471-L475 HydrophobicContact CZ3-CD1 3.69Å; W471-L475 WeakPolarHBondContact O-CD1 3.47Å; W471-L475 PolarHBondContact O-N 2.78Å
472H68.3Low64.1Low132 Ų13296.6 Ų96.661%0.61148%0.476SS*.Hα-helixtrans-65.4-47.7178.7-160.381.8000111.6K468 K469 G474 L475 V476K468-H472 PolarHBondContact O-N 3.39Å; K469-H472 WeakPolarHBondContact O-CB 3.43Å; K469-H472 PolarHBondContact O-N 3.14Å; H472-G474 PolarHBondContact O-N 3.06Å; H472-L475 PolarHBondContact O-N 3.42Å; H472-V476 WeakPolarHBondContact O-CG2 3.38Å; H472-V476 PolarHBondContact O-N 3.02Å
473D70Confident65.3Low87 Ų87101.2 Ų101.247%0.46549%0.492SS..Hα-helixtrans-56.6-40.7173.2-65.3-21.5000110.6K469 V476 E477K469-D473 WeakPolarHBondContact CE-OD2 3.34Å; K469-D473 VanDerWaalsContact O-CG 3.3Å; K469-D473 PolarHBondContact O-N 3.23Å; D473-V476 PolarHBondContact O-N 2.88Å; D473-E477 WeakPolarHBondContact O-CB 3.39Å; D473-E477 PolarHBondContact O-N 2.87Å
474G68.8Low66.4Low39 Ų3995.4 Ų95.440%0.40247%0.468SS..Hα-helixtrans-65.2-41.3176.100000114.7R470 W471 H472 A478R470-G474 PolarHBondContact O-N 2.82Å; R470-G474 VanDerWaalsContact O-N 3.08Å; W471-G474 PolarHBondContact O-N 2.77Å; H472-G474 PolarHBondContact O-N 3.06Å; G474-A478 WeakPolarHBondContact O-CB 3.41Å; G474-A478 PolarHBondContact O-N 2.91Å
475L67.3Low66.4Low66 Ų6699.8 Ų99.835%0.34648%0.482SS..Hα-helixtrans-69.3-37.6174.9-100.184.8000112.5I418 W471 H472 E477 A478 D479I418-L475 HydrophobicContact CD1-CD2 3.48Å; I418-L475 VanDerWaalsContact CD1-CD2 3.48Å; W471-L475 HydrophobicContact CD2-CD1 4.34Å; W471-L475 HydrophobicContact CE3-CD1 3.49Å; W471-L475 VanDerWaalsContact CE3-CD1 3.49Å; W471-L475 HydrophobicContact CZ3-CD1 3.69Å; W471-L475 WeakPolarHBondContact O-CD1 3.47Å; W471-L475 PolarHBondContact O-N 2.78Å; H472-L475 PolarHBondContact O-N 3.42Å; L475-E477 VanDerWaalsContact C-N 3.35Å; L475-A478 PolarHBondContact O-N 2.99Å; L475-D479 PolarHBondContact O-N 2.88Å
476V69.9Low66.4Low87 Ų8796.2 Ų96.253%0.52748%0.476SS..Hα-helixtrans-63.8-43176170.50000110.5H472 D473 D479 R480H472-V476 WeakPolarHBondContact O-CG2 3.38Å; H472-V476 PolarHBondContact O-N 3.02Å; D473-V476 PolarHBondContact O-N 2.88Å; V476-D479 PolarHBondContact O-N 2.8Å; V476-R480 WeakPolarHBondContact O-CB 3.5Å; V476-R480 PolarHBondContact O-N 3.01Å
477E67.4Low66.1Low82 Ų8296.8 Ų96.838%0.38348%0.479SS..Hα-helixtrans-67.3-35.9175.7-175.561.9-173.100112.3D473 L475 R480 L481D473-E477 WeakPolarHBondContact O-CB 3.39Å; D473-E477 PolarHBondContact O-N 2.87Å; L475-E477 VanDerWaalsContact C-N 3.35Å; E477-R480 WeakPolarHBondContact O-CB 3.41Å; E477-R480 PolarHBondContact O-N 3.47Å; E477-R480 IonicContact OE1-CZ 3.02Å; E477-R480 IonicContact OE1-NE 3.76Å; E477-R480 PolarHBondContact OE1-NE 3.29Å; E477-R480 IonicContact OE1-NH2 3.61Å; E477-R480 PolarHBondContact OE1-NH2 2.93Å; E477-R480 IonicContact OE2-CZ 3.11Å; E477-R480 IonicContact OE2-NE 2.71Å; E477-R480 PolarHBondContact OE2-NE 2.87Å; E477-R480 IonicContact OE2-NH2 3.05Å; E477-L481 HydrophobicContact CG-CD1 4.18Å; E477-L481 WeakPolarHBondContact O-CB 3.44Å; E477-L481 VanDerWaalsContact O-CG 3.3Å; E477-L481 WeakPolarHBondContact O-CG 3.48Å; E477-L481 PolarHBondContact O-N 2.96Å
478A62.2Low66.2Low57 Ų5798.9 Ų98.947%0.47149%0.494SS..Hα-helixtrans-62.2-49.6173.400000112.2G474 L475 R480 L481 D482G474-A478 WeakPolarHBondContact O-CB 3.41Å; G474-A478 PolarHBondContact O-N 2.91Å; L475-A478 PolarHBondContact O-N 2.99Å; A478-R480 VanDerWaalsContact C-N 3.26Å; A478-R480 PolarHBondContact O-N 3.04Å; A478-L481 PolarHBondContact O-N 2.94Å; A478-D482 WeakPolarHBondContact O-CB 3.25Å; A478-D482 PolarHBondContact O-N 3.17Å
479D65.2Low65.6Low39 Ų39101 Ų10121%0.20950%0.504CS..Hα-helixtrans-65.1-30.3176.8-16881.2000111.8R422 L475 V476 R483R422-D479 IonicContact CZ-OD1 2.85Å; R422-D479 VanDerWaalsContact CZ-OD1 3.32Å; R422-D479 IonicContact NH1-OD1 3.7Å; R422-D479 PolarHBondContact NH1-OD1 3.37Å; R422-D479 IonicContact NH2-OD1 3.06Å; R422-D479 PolarHBondContact NH2-OD1 3.18Å; R422-D479 IonicContact NH2-OD2 3.51Å; L475-D479 PolarHBondContact O-N 2.88Å; V476-D479 PolarHBondContact O-N 2.8Å; D479-R483 WeakPolarHBondContact O-CB 3.37Å; D479-R483 WeakPolarHBondContact O-CG 3.43Å; D479-R483 PolarHBondContact O-N 3.48Å; D479-R483 VanDerWaalsContact O-N 3.16Å; D479-R483 IonicContact OD2-CZ 2.81Å; D479-R483 IonicContact OD2-NE 3.68Å; D479-R483 PolarHBondContact OD2-NE 2.86Å; D479-R483 IonicContact OD2-NH2 2.79Å; D479-R483 PolarHBondContact OD2-NH2 3.41Å
480R78.6Confident64.1Low99 Ų9998.1 Ų98.137%0.37451%0.512SS..Hα-helixtrans-65.7-44.9172.1-163.3-169.170.3664.5111.9V476 E477 A478 Q484V476-R480 WeakPolarHBondContact O-CB 3.5Å; V476-R480 PolarHBondContact O-N 3.01Å; E477-R480 WeakPolarHBondContact O-CB 3.41Å; E477-R480 PolarHBondContact O-N 3.47Å; E477-R480 IonicContact OE1-CZ 3.02Å; E477-R480 IonicContact OE1-NE 3.76Å; E477-R480 PolarHBondContact OE1-NE 3.29Å; E477-R480 IonicContact OE1-NH2 3.61Å; E477-R480 PolarHBondContact OE1-NH2 2.93Å; E477-R480 IonicContact OE2-CZ 3.11Å; E477-R480 IonicContact OE2-NE 2.71Å; E477-R480 PolarHBondContact OE2-NE 2.87Å; E477-R480 IonicContact OE2-NH2 3.05Å; A478-R480 VanDerWaalsContact C-N 3.26Å; A478-R480 PolarHBondContact O-N 3.04Å; R480-Q484 WeakPolarHBondContact O-CG 3.42Å; R480-Q484 PolarHBondContact O-N 3.46Å; R480-Q484 VanDerWaalsContact O-N 3.17Å
481L69Low62.6Low78 Ų7899.7 Ų99.741%0.40852%0.518SS..Hα-helixtrans-70.6-40.2179.2-72.5170.3000112.2E477 A478 Q484 F485E477-L481 HydrophobicContact CG-CD1 4.18Å; E477-L481 WeakPolarHBondContact O-CB 3.44Å; E477-L481 VanDerWaalsContact O-CG 3.3Å; E477-L481 WeakPolarHBondContact O-CG 3.48Å; E477-L481 PolarHBondContact O-N 2.96Å; A478-L481 PolarHBondContact O-N 2.94Å; L481-Q484 WeakPolarHBondContact O-CB 3.47Å; L481-Q484 PolarHBondContact O-N 3.42Å; L481-Q484 VanDerWaalsContact O-N 3.11Å; L481-F485 PolarHBondContact O-N 3.22Å
482D66Low61.2Low117 Ų117105.5 Ų105.563%0.62655%0.545SS*.Hα-helixtrans-66.7-39.9180-155.642.8000111.2A478 Q484 F485 A486A478-D482 WeakPolarHBondContact O-CB 3.25Å; A478-D482 PolarHBondContact O-N 3.17Å; D482-Q484 VanDerWaalsContact C-N 3.35Å; D482-Q484 PolarHBondContact O-N 3.26Å; D482-F485 PolarHBondContact O-N 2.96Å; D482-A486 WeakPolarHBondContact O-CB 3.49Å; D482-A486 PolarHBondContact O-N 2.85Å
483R68.9Low59.6Low151 Ų151104.7 Ų104.757%0.5755%0.552SS**Hα-helixtrans-60.7-39.8168.4-72174.4-161.5-124.68.3112.8D479 L487D479-R483 WeakPolarHBondContact O-CB 3.37Å; D479-R483 WeakPolarHBondContact O-CG 3.43Å; D479-R483 PolarHBondContact O-N 3.48Å; D479-R483 VanDerWaalsContact O-N 3.16Å; D479-R483 IonicContact OD2-CZ 2.81Å; D479-R483 IonicContact OD2-NE 3.68Å; D479-R483 PolarHBondContact OD2-NE 2.86Å; D479-R483 IonicContact OD2-NH2 2.79Å; D479-R483 PolarHBondContact OD2-NH2 3.41Å; R483-L487 WeakPolarHBondContact O-CB 3.37Å; R483-L487 VanDerWaalsContact O-CG 3.3Å; R483-L487 WeakPolarHBondContact O-CG 3.05Å; R483-L487 PolarHBondContact O-N 3.03Å; R483-L487 VanDerWaalsContact O-N 3.08Å
484Q70.6Confident57.9Low96 Ų96106.7 Ų106.745%0.44957%0.57SS.*Hα-helixtrans-66.7-40.9175.9-77.5-171.3-37.800111.8R480 L481 D482 L487 V488R480-Q484 WeakPolarHBondContact O-CG 3.42Å; R480-Q484 PolarHBondContact O-N 3.46Å; R480-Q484 VanDerWaalsContact O-N 3.17Å; L481-Q484 WeakPolarHBondContact O-CB 3.47Å; L481-Q484 PolarHBondContact O-N 3.42Å; L481-Q484 VanDerWaalsContact O-N 3.11Å; D482-Q484 VanDerWaalsContact C-N 3.35Å; D482-Q484 PolarHBondContact O-N 3.26Å; Q484-L487 PolarHBondContact O-N 2.88Å; Q484-V488 WeakPolarHBondContact O-CB 3.39Å; Q484-V488 VanDerWaalsContact O-CG2 3.27Å; Q484-V488 WeakPolarHBondContact O-CG2 3.33Å; Q484-V488 PolarHBondContact O-N 3Å
485F59.1Low56.1Low132 Ų132112.7 Ų112.758%0.57959%0.591SS**Hα-helixtrans-61.9-45.9174-107.3-93.3000112.2L481 D482 L487 V488 F489L481-F485 PolarHBondContact O-N 3.22Å; D482-F485 PolarHBondContact O-N 2.96Å; F485-L487 VanDerWaalsContact C-N 3.32Å; F485-L487 PolarHBondContact O-N 3.33Å; F485-V488 PolarHBondContact O-N 3.44Å; F485-F489 AromaticContact CD1-CD2 3.6Å; F485-F489 HydrophobicContact CD1-CD2 3.6Å; F485-F489 AromaticContact CD1-CE2 3.61Å; F485-F489 HydrophobicContact CD1-CE2 3.61Å; F485-F489 AromaticContact CE1-CD2 3.95Å; F485-F489 HydrophobicContact CE1-CD2 3.95Å; F485-F489 AromaticContact CE1-CE2 3.48Å; F485-F489 HydrophobicContact CE1-CE2 3.48Å; F485-F489 VanDerWaalsContact CE1-CE2 3.48Å; F485-F489 HydrophobicContact CE1-CZ 4.38Å; F485-F489 HydrophobicContact CG-CD2 4.43Å; F485-F489 HydrophobicContact CZ-CE2 4.29Å; F485-F489 WeakPolarHBondContact O-CD2 3.35Å; F485-F489 PolarHBondContact O-N 2.66Å
486A59.7Low54.4Low64 Ų64118.2 Ų118.253%0.52962%0.615SS.*Hα-helixtrans-59.8-40.3177.300000112.6D482 G490D482-A486 WeakPolarHBondContact O-CB 3.49Å; D482-A486 PolarHBondContact O-N 2.85Å; A486-G490 PolarHBondContact O-N 3Å
487L60.7Low52.3Low150 Ų150119.1 Ų119.179%0.78562%0.621SS**Hα-helixtrans-71.7-35.6177.2-73169.3000113.3R483 Q484 F485R483-L487 WeakPolarHBondContact O-CB 3.37Å; R483-L487 VanDerWaalsContact O-CG 3.3Å; R483-L487 WeakPolarHBondContact O-CG 3.05Å; R483-L487 PolarHBondContact O-N 3.03Å; R483-L487 VanDerWaalsContact O-N 3.08Å; Q484-L487 PolarHBondContact O-N 2.88Å; F485-L487 VanDerWaalsContact C-N 3.32Å; F485-L487 PolarHBondContact O-N 3.33Å
488V60Low50.3Low111 Ų111127.1 Ų127.167%0.67365%0.648SS**Hα-helixtrans-76.2-35.5-178.8168.90000112.6Q484 F485Q484-V488 WeakPolarHBondContact O-CB 3.39Å; Q484-V488 VanDerWaalsContact O-CG2 3.27Å; Q484-V488 WeakPolarHBondContact O-CG2 3.33Å; Q484-V488 PolarHBondContact O-N 3Å; F485-V488 PolarHBondContact O-N 3.44Å
489F45.9Very low48.5Very low133 Ų133129.4 Ų129.458%0.58366%0.66SS**Hα-helixtrans-100.3-4.5-171.8-74.1-77.2000116F485 R491F485-F489 AromaticContact CD1-CD2 3.6Å; F485-F489 HydrophobicContact CD1-CD2 3.6Å; F485-F489 AromaticContact CD1-CE2 3.61Å; F485-F489 HydrophobicContact CD1-CE2 3.61Å; F485-F489 AromaticContact CE1-CD2 3.95Å; F485-F489 HydrophobicContact CE1-CD2 3.95Å; F485-F489 AromaticContact CE1-CE2 3.48Å; F485-F489 HydrophobicContact CE1-CE2 3.48Å; F485-F489 VanDerWaalsContact CE1-CE2 3.48Å; F485-F489 HydrophobicContact CE1-CZ 4.38Å; F485-F489 HydrophobicContact CG-CD2 4.43Å; F485-F489 HydrophobicContact CZ-CE2 4.29Å; F485-F489 WeakPolarHBondContact O-CD2 3.35Å; F485-F489 PolarHBondContact O-N 2.66Å; F489-R491 PolarHBondContact O-N 2.88Å
490G38.8Very low46.7Very low73 Ų73132.5 Ų132.575%0.75369%0.685SS**  trans63.413.9164.900000116.6A486A486-G490 PolarHBondContact O-N 3Å
491R34.9Very low44.3Very low224 Ų224132.7 Ų132.785%0.84570%0.701SS**PPolyproline II helixtrans-99.5120.9179.1-69.8-175.8179.1-157.7-1.2110.5F489F489-R491 PolarHBondContact O-N 2.88Å
492K34.5Very low42.5Very low198 Ų198138.4 Ų138.486%0.86173%0.726SS**PPolyproline II helixtrans-63.8146.2166.2-69.3-177176.9-1780109.7
493P33.8Very low40.7Very low115 Ų115137.4 Ų137.475%0.74773%0.728SS**PPolyproline II helixtrans-65.5147.1175.428.5-34.9000111
494P35.1Very low38.7Very low130 Ų130137.2 Ų137.284%0.84474%0.738SS**PPolyproline II helixtrans-77.1135.3-178.131.1-34000111.8
495I31.5Very low36.7Very low165 Ų165139.6 Ų139.685%0.84675%0.753SS**  trans-116.4129.2165.1-59.8175.8000107.7
496Q30.6Very low35.3Very low181 Ų181141 Ų14185%0.84676%0.761SS**  trans-149.8136.4174.4-92.3-166.2-9.700107.3
497T25.6Very low33.6Very low107 Ų107147.2 Ų147.266%0.65678%0.777SS**  cis-136.7168.7-3.736.80000108.9
498W26.4Very low32Very low250 Ų250145 Ų14595%0.94777%0.77SS**  -162.9173.397.2-9623.5000111.5
499S23.5Very low30.5Very low105 Ų105146.6 Ų146.673%0.73477%0.774SS**  trans-77.7144.5-168.446.30000115.6
500S27.8Very low29.5Very low104 Ų104145.4 Ų145.473%0.72778%0.782SS**  178.4150.5114.7-79.80000114.7
501S28.8Very low29.2Very low102 Ų102148.7 Ų148.771%0.71379%0.787SS**  trans56.9121.5149.157.50000123.1
502Q31.6Very low28.9Very low198 Ų198143.4 Ų143.493%0.92578%0.78SS**  trans80162.1141.5-66.2-178.26.700120.3
503S26.4Very low28.6Very low97 Ų97138.8 Ų138.868%0.67877%0.772SS**  trans-150.1157.5-159.452.70000112.8
504N27.6Very low28.2Very low146 Ų146140 Ų14078%0.78177%0.768SS**  trans69.6152.8179.8-46.7-52.1000113.7
505L28.6Very low28Very low146 Ų146141 Ų14176%0.76476%0.759SS**  cis-141.5159.424.2-88.686.9000113.1
506H29.6Very low27.6Very low162 Ų162138.9 Ų138.975%0.7575%0.754SS**  trans52.3127.4148.4-75.2-114.7000120.6
507F24Very low27.5Very low194 Ų194138.4 Ų138.485%0.85176%0.756SS**  cis89.813514.7-134.7-50.9000116.8
508V27.1Very low27.4Very low105 Ų105137.3 Ų137.364%0.63676%0.758SS**  trans94.4142.4158.6-116.20000123
509N28.6Very low27.9Very low144 Ų144130.1 Ų130.177%0.7774%0.744SS**  trans81110.2167.3-55-18.9000117.2
510S25.7Very low28Very low107 Ų107133.1 Ų133.175%0.74875%0.746SS**  cis81.793.56-157.20000119.2
511V30.9Very low28Very low142 Ų142136 Ų13686%0.86175%0.751SS**  trans-159.2156158.1-1760000106.6
512V29.5Very low27.8Very low113 Ų113135.6 Ų135.669%0.68575%0.749SS**  -175.5155-60.2139.70000107.8
513S28.2Very low27.5Very low101 Ų101131.6 Ų131.671%0.70674%0.743SS**  trans71.3150.1167.4-840000118.3
514E25.4Very low27.9Very low142 Ų142132.2 Ų132.266%0.66475%0.747SS**  cis-167.2176.9-14.5-129.2-166.6131.900113.2
515K29.9Very low27.9Very low149 Ų149132 Ų13265%0.64875%0.745SS**  trans72100.9148.4-79.6169.1172.369.40122.3
516T24.5Very low27.9Very low121 Ų121130.8 Ų130.874%0.74275%0.746SS**  44.4121.5120.959.70000121.8
517L27.1Very low27.8Very low171 Ų171127.3 Ų127.390%0.89574%0.74SS**  -169.4163.6102.2-129.790.8000113.8
518A25.2Very low28.1Very low84 Ų84124.4 Ų124.469%0.69474%0.738SS**  trans-157.5170.8160.600000107.4
519P36.3Very low28Very low100 Ų100125.3 Ų125.365%0.64974%0.743SS**  cis-138.3-175.1-1.444.4-27.8000116
520H25.6Very low27.9Very low168 Ų168124.8 Ų124.878%0.77875%0.745SS**  trans73.6145.5145.1-67.1-39.3000125
521I27.7Very low28.1Very low163 Ų163124.8 Ų124.884%0.83674%0.743SS**  trans77.6145.3152.3-69.4152.1000119.5
522S24.1Very low27.9Very low95 Ų95123 Ų12366%0.66474%0.737SS**  -168167-58610000113.1
523S25.2Very low27.7Very low114 Ų114122 Ų12280%0.79774%0.741SS**  trans87.5112.5149.874.70000123.6
524S35Very low27.8Very low110 Ų110122.4 Ų122.477%0.76974%0.74SS**  trans-168.2113.8144.455.90000106.9
525L26.9Very low27.8Very low142 Ų142123.4 Ų123.474%0.74375%0.75SS**  56.7135.771.2-69.2171.5000113.5
526P30.4Very low28Very low119 Ų119121.1 Ų121.177%0.77375%0.75SS**  cis-83.2165.418.5-5.525.9000114.3
527S27.1Very low28.2Very low89 Ų89120.5 Ų120.562%0.62275%0.75SS**  cis71.4134.848.1-41.50000112.7
528V29.4Very low28.3Very low134 Ų134122.8 Ų122.881%0.81275%0.749SS**  cis-151.5-178.5-1.9-106.20000107.2
529T26.4Very low28.6Very low123 Ų123123.6 Ų123.676%0.75575%0.749SS**  cis-153.7147.224.9-42.10000111.6
530V25.2Very low28.4Very low134 Ų134124.4 Ų124.481%0.81275%0.752SS**  trans-148.9133.9172.5-179.40000105.2
531P31.2Very low28.6Very low107 Ų107125.9 Ų125.970%0.69575%0.753SS**  -155.1-164.761.541.1-17.5000117.4
532S26.3Very low28.6Very low104 Ų104125 Ų12573%0.72775%0.745SS**  trans77.7111.5145.3-62.50000123.1
533A24.5Very low28.7Very low93 Ų93126.7 Ų126.777%0.76975%0.746SS**  32.8160108.200000122.4
534P31.5Very low28.7Very low108 Ų108131.9 Ų131.970%0.70175%0.75SS**  cis-140.8165.8-22.137-18.4000117.3
535L25.3Very low28.2Very low164 Ų164131.2 Ų131.286%0.85975%0.745SS**  trans63.3166.7156.7-74.7169.3000119.1
536P33.5Very low28.2Very low101 Ų101133.8 Ų133.866%0.65675%0.75SS**  cis-130.2161.8-1736.8-20.6000116.4
537S27.7Very low27.9Very low107 Ų107133 Ų13375%0.74875%0.748SS**  trans66.2160.8154.977.20000118.9
538Y30.4Very low27.9Very low219 Ų219139.6 Ų139.686%0.85976%0.759SS**  cis-154.3145.87.7-142-65.8000110.1
539S30.8Very low27.8Very low102 Ų102138.9 Ų138.971%0.71375%0.75SS**  trans67.7143.5161.6-179.10000118.7
540T32.3Very low27.9Very low116 Ų116139.8 Ų139.871%0.71275%0.749SS**  cis178.7148.8-11.4-77.50000106.3
541Y29.5Very low27.8Very low199 Ų199139.7 Ų139.778%0.7874%0.744SS**  cis-156.8159.8-19.4-119-121.7000103.9
542H28.8Very low27.7Very low146 Ų146138.9 Ų138.968%0.67675%0.746SS**  cis78134.629.6-60.3-39.3000116.6
543N25.8Very low27.6Very low129 Ų129138.9 Ų138.969%0.6975%0.746SS**  cis-163.7167.3-15.4-106.13.2000107.6
544Y25.2Very low28.2Very low223 Ų223139.7 Ų139.788%0.87574%0.743SS**  cis71.8156.738.7-91.6-77.4000116.8
545S25Very low27.9Very low96 Ų96139.7 Ų139.767%0.67175%0.746SS**  trans-135.7171.2-140.357.30000117.7
546K25.4Very low28.1Very low196 Ų196137.5 Ų137.585%0.85274%0.739SS**  trans98.6126.4165.7-60-175.9176-178.90120.5
547S25.3Very low27.9Very low104 Ų104140 Ų14073%0.72774%0.742SS**  trans41.5119.814359.60000124.9
548R26Very low27.9Very low227 Ų227140.8 Ų140.886%0.85774%0.738SS**  44.5143.9117.6-68.4-172.6178.2-112.24.3120.1
549L26.9Very low27.8Very low119 Ų119136.3 Ų136.362%0.62373%0.729SS**  cis-166.7160.511.5-151.770.8000114
550I28.4Very low27.9Very low141 Ų141138.9 Ų138.972%0.72373%0.729SS**  trans58.5165.1159.441.1177.9000121.2
551D23.7Very low27.8Very low132 Ų132138.4 Ų138.471%0.70673%0.73SS**  cis-155.9-178.228-147.7-12.9000118.2
552A28.7Very low27.9Very low90 Ų90133.9 Ų133.974%0.74473%0.728SS**  trans97.4113.9178.200000115.9
553S24.9Very low27.8Very low104 Ų104132.2 Ų132.273%0.72773%0.73SS**  cis86.9151.727.3-61.40000115.5
554P37.6Very low28.5Very low110 Ų110130 Ų13071%0.71472%0.722SS**  cis-143.817511.643.7-25000120
555S23.7Very low28.9Very low108 Ų108122.7 Ų122.776%0.75570%0.703SS**  trans71.9159.3148.873.70000120.4
556V29.7Very low28.9Very low118 Ų118120.7 Ų120.772%0.71569%0.688SS**  cis-151.3148.319.2-176.90000113.1
557H30.8Very low28.8Very low154 Ų154115 Ų11571%0.71367%0.67SS**  trans49.5134.5158.9-76.2-61000126.5
558D26.7Very low28.9Very low123 Ų123116.4 Ų116.466%0.65868%0.675SS**  trans46.2140.6132.3-48.10.4000121.2
559N28.6Very low28.9Very low125 Ų125113.9 Ų113.967%0.66868%0.677SS**  cis-166.6163.235.9-136-33.9000113.4
560H32.6Very low29Very low157 Ų157113 Ų11373%0.72768%0.678SS**  trans63.8116.4168.1-61.1-47.6000119.1
561S30Very low28.8Very low105 Ų105114.6 Ų114.673%0.73468%0.683SS**  90.1130.764.4-71.40000113.5
562S31.3Very low29Very low104 Ų104116 Ų11673%0.72769%0.689SS**  cis-159.5159.8-2.6-78.90000112.1
563P28.4Very low28.9Very low112 Ų112116.2 Ų116.273%0.72768%0.682SS**  trans-86-180173.836-36.4000114.6
564P39.6Very low28.8Very low81 Ų81118.2 Ų118.253%0.52668%0.683SS.*  trans-71.4-165.6179.5-18.335.5000114
565P34.2Very low28.3Very low71 Ų71117.3 Ų117.346%0.46168%0.679SS.*  cis-142.9172.2937.3-15.5000119.4Q977P565-Q977 HydrophobicContact CB-CB 3.48Å; P565-Q977 VanDerWaalsContact CB-CB 3.48Å; P565-Q977 VanDerWaalsContact CB-CD 3.48Å; P565-Q977 HydrophobicContact CB-CG 3.61Å; P565-Q977 HydrophobicContact CG-CB 3.98Å
566S23.7Very low28.4Very low53 Ų53120 Ų12037%0.37168%0.68SS.*  134.4139.2115.769.20000122.6K976 Q977S566-K976 VanDerWaalsContact CB-CD 3.48Å; S566-K976 WeakPolarHBondContact OG-CD 3.27Å; S566-K976 WeakPolarHBondContact OG-CE 3.44Å; S566-K976 PolarHBondContact OG-NZ 3.41Å; S566-Q977 VanDerWaalsContact CA-OE1 3.31Å
567T24.4Very low28.2Very low77 Ų77119.3 Ų119.347%0.47268%0.68SS.*  trans53.1108.1157.146.90000120.7K976T567-K976 HydrophobicContact CG2-CG 4.32Å; T567-K976 VanDerWaalsContact OG1-CE 3.29Å; T567-K976 WeakPolarHBondContact OG1-CE 3.3Å; T567-K976 PolarHBondContact OG1-NZ 2.92Å
568T28.1Very low28Very low134 Ų134117.8 Ų117.882%0.82268%0.682SS**  -175134.7108.2330000110.3
569L25.1Very low28.2Very low174 Ų174117.6 Ų117.691%0.91169%0.687SS**  trans-157.597.9163.8-112.1174.1000111.3
570P28Very low28.2Very low99 Ų99118.3 Ų118.364%0.64370%0.696SS**  trans-104.7170152.637-29.1000111.1
571H24.5Very low28Very low175 Ų175117.9 Ų117.981%0.8170%0.697SS**  trans-19.6142.8172.8-56.2-94.6000119
572I28.6Very low27.8Very low163 Ų163116.9 Ų116.984%0.83669%0.69SS**  -159.3138.9110.5-101.2156000110.3
573P26.8Very low27.4Very low94 Ų94123.1 Ų123.161%0.6170%0.698SS**  trans-101.9175.6170.340.7-34.9000112.4
574I22.6Very low27.3Very low146 Ų146123.7 Ų123.775%0.74970%0.7SS**  trans70.6163.1159.8-70.2161.5000115.7
575S27.3Very low27.2Very low90 Ų90125.4 Ų125.463%0.62971%0.711SS**  trans-103.4-147.3-160.662.70000113.1
576H25.2Very low26.7Very low165 Ų165128.1 Ų128.176%0.76473%0.726SS**  trans77.3145.4-179.4-45.1-67.4000114.5
577S25.4Very low26.8Very low104 Ų104131.5 Ų131.573%0.72774%0.744SS**  cis-150.2176.36.544.40000108.7
578T27Very low26.7Very low122 Ų122133.8 Ų133.875%0.74876%0.758SS**  cis-157.2145.840.151.70000115.3
579P31.8Very low26.4Very low118 Ų118134.2 Ų134.277%0.76675%0.754SS**  trans-101.4169.4164.639.9-34.1000113.9
580V27.3Very low26.4Very low140 Ų140132 Ų13285%0.84875%0.748SS**  trans-165.5150.3173.3-96.70000108.3
581I29.1Very low26.1Very low148 Ų148132.4 Ų132.476%0.75975%0.753SS**  cis-131.8127.2-0.3-55.5179.8000105.8
582S24.8Very low26.2Very low84 Ų84128 Ų12859%0.58775%0.746SS**  82.6118.162.9131.10000117.5
583R24.7Very low26.1Very low235 Ų235126.7 Ų126.789%0.88775%0.746SS**  trans75.6152.6148.1-60.8173.9178.5-159-1.8118.2
584T24.9Very low26.2Very low125 Ų125127.1 Ų127.177%0.76775%0.751SS**  cis-141.8158.56.343.20000113.1
585P38.9Very low26.3Very low117 Ų117124.7 Ų124.776%0.7675%0.747SS**  trans-98.2-178.315938.5-32.3000113.8
586V23Very low26.3Very low127 Ų127127.1 Ų127.177%0.7775%0.753SS**  trans123.6146.5159.9174.40000116.4
587T25.8Very low26.4Very low125 Ų125126.1 Ų126.177%0.76775%0.753SS**  trans68.2122.9175.733.20000116.8
588T21.8Very low26.4Very low124 Ų124125.5 Ų125.576%0.76176%0.755SS**  cis102.8135.621.5-50.70000113.9
589I21.8Very low26.4Very low144 Ų144130.1 Ų130.174%0.73877%0.765SS**  trans68.4131.2-176.4-30-177.7000112.2
590V25.3Very low26.1Very low128 Ų128129.1 Ų129.178%0.77676%0.761SS**  cis-132.5143.429.3167.40000108.6
591S21.4Very low26.1Very low107 Ų107127.6 Ų127.675%0.74876%0.756SS**  cis88.961.533.3-55.10000116.5
592A27.8Very low25.9Very low81 Ų81126 Ų12667%0.66975%0.753SS**  trans-148.2118.8157.500000107.6
593T26.5Very low26Very low137 Ų137129.5 Ų129.584%0.8477%0.765SS**  54.3124.473.766.90000112.9
594S28.5Very low26.1Very low102 Ų102123.6 Ų123.671%0.71375%0.754SS**  cis-149.413110.247.10000108.5
595S25.2Very low26.2Very low95 Ų95128.8 Ų128.866%0.66476%0.76SS**  73.6116.460.2810000116.3
596N25.4Very low25.6Very low141 Ų141127.6 Ų127.675%0.75476%0.76SS**  trans88.3149.7138.1-63.1-0000122.4
597N28.9Very low25.8Very low144 Ų144127.1 Ų127.177%0.7776%0.763SS**  trans65102.4162.2-57.1-9.6000115.1
598A25.4Very low25.8Very low91 Ų91126.6 Ų126.675%0.75276%0.764SS**  cis60.2125.13900000114.4
599F26.4Very low27Very low219 Ų219126.4 Ų126.496%0.96177%0.765SS**  trans-141.9142.8151.1-121.7-80.4000109.8
600S24.5Very low27.4Very low97 Ų97125.2 Ų125.268%0.67877%0.766SS**  trans-131.3137.7-177.9174.80000109.8
601S27.6Very low27.4Very low109 Ų109125.2 Ų125.276%0.76277%0.767SS**  trans-164.7113.7158.754.30000107.1
602V25.3Very low27.6Very low113 Ų113126.1 Ų126.169%0.68577%0.773SS**  cis67.8107.848-174.30000112.9T604V602-T604 HydrophobicContact CG1-CG2 4.4Å
603L27.8Very low27.5Very low159 Ų159127.1 Ų127.183%0.83278%0.775SS**  trans-167.599.2142.9-90.4174.8000104.5
604T26.5Very low27.7Very low110 Ų110132.1 Ų132.168%0.67578%0.779SS**  55.9142.588.872.50000113.8V602V602-T604 HydrophobicContact CG1-CG2 4.4Å
605R26.1Very low27.6Very low234 Ų234138.5 Ų138.588%0.88379%0.787SS**  cis-171.4153.136.8-175.7171.3156.9171.5-6.3112.6
606A26.5Very low27.6Very low92 Ų92138.9 Ų138.976%0.7679%0.79SS**  trans68.1151.616000000118.6
607S27.6Very low27.6Very low118 Ų118137.8 Ų137.883%0.82579%0.792SS**  cis-148.7160.80.741.20000113.2
608S26.2Very low27.5Very low113 Ų113141.4 Ų141.479%0.7980%0.801SS**  trans-79.8171.5-178.9-37.40000114.5
609P46.3Very low27.4Very low120 Ų120147.8 Ų147.878%0.77981%0.806SS**  trans-94.5179.5-167.639.4-37.1000114.7
610P29.3Very low27.4Very low119 Ų119142.6 Ų142.677%0.77379%0.792SS**  -144158124.138.8-25000117.5
611T25.3Very low27.5Very low129 Ų129146.9 Ų146.979%0.79180%0.799SS**  trans-24.3148.8163.956.60000120.9
612S27.2Very low27.5Very low126 Ų126149.3 Ų149.388%0.88180%0.8SS**  174.2165.4106.254.20000116.1
613S25.7Very low27.7Very low101 Ų101151 Ų15171%0.70680%0.801SS**  trans-69.4147.5-173.5146.70000117.6
614R30.6Very low27.8Very low242 Ų242149.3 Ų149.391%0.91379%0.792SS**  trans178.1116.3137.5-95.7160.5-167.9-148.62.8107.1
615R26Very low27.9Very low236 Ų236152 Ų15289%0.89180%0.797SS**  cis66112.646.9-132.1-170.3-158.9-142.54.7114.8
616S24.9Very low28.2Very low104 Ų104146.8 Ų146.873%0.72779%0.793SS**  trans62.3123.5146.2-161.80000121.2
617C25.4Very low28.3Very low118 Ų118145.2 Ų145.280%0.79779%0.786SS**  trans29.9126.4144.1-57.60000120.9
618F25.9Very low28.6Very low219 Ų219151.3 Ų151.396%0.96179%0.792SS**  trans-136.1122.6145.2-117.5-80.6000111.5
619R23.9Very low28.7Very low225 Ų225149 Ų14985%0.84979%0.786SS**  trans-111.5135.9168.6-128-174.3177.8168.60.4107.7
620T26Very low27.8Very low111 Ų111150.3 Ų150.368%0.68179%0.785SS**  trans73.3107.2137.4-60.40000121.4
621F26.9Very low27.6Very low186 Ų186156.2 Ų156.282%0.81679%0.792SS**  trans75.3140.4133-89.3-119000124.6
622M27.9Very low27.5Very low160 Ų160155.1 Ų155.179%0.78879%0.79SS**  -174.2160.8115.6-95.2-59.9-174.400107.6
623Q30.7Very low28.1Very low149 Ų149154 Ų15470%0.69678%0.779SS**  cis-151.3165.81.3-148.5174.765.200105.4
624L28Very low28.1Very low124 Ų124156.1 Ų156.165%0.64978%0.782SS**  cis-121.6-154.86.2-56.7126.9000108.2
625H29Very low27.9Very low167 Ų167150.5 Ų150.577%0.77378%0.775SS**  cis-147.6142.3-1.4-133.6-70.1000107.7
626P32.9Very low28Very low124 Ų124144.4 Ų144.481%0.80576%0.764SS**  trans-109.2165.7-167.939.9-35.4000115.7
627G29.7Very low28.2Very low59 Ų59145.1 Ų145.161%0.60877%0.765SS**  trans165.3114.7158.300000117.2
628Y31.9Very low28.3Very low246 Ų246145.3 Ų145.397%0.96576%0.758SS**  trans59.1151.5161.6-56.7-90.8000118.8
629G29.3Very low28.5Very low63 Ų63140.8 Ų140.865%0.64974%0.743SS**  cis164.2112.9-11.400000114.5
630I26.6Very low28.6Very low148 Ų148136.5 Ų136.576%0.75974%0.737SS**  trans51.2105.1148.7-52.7172.1000119
631W24.9Very low28.9Very low244 Ų244138.7 Ų138.792%0.92474%0.744SS**  171.8174.4111.3-105.5-31000114.4
632S23.7Very low29Very low106 Ų106134.3 Ų134.374%0.74174%0.736SS**  trans-164.4170.6-179.6-68.80000109.4
633P40.5Very low28.8Very low102 Ų102132.2 Ų132.266%0.66274%0.736SS**  cis-131.2-156.8-41.337.8-19.5000111.8
634N25.5Very low28.8Very low145 Ų145133.2 Ų133.278%0.77574%0.744SS**  trans76.4147.3174.7-46.1-37.2000114.2
635T26.8Very low28.8Very low125 Ų125131.8 Ų131.877%0.76774%0.744SS**  cis-145.6164.313.548.60000110.3
636T28.4Very low28.8Very low107 Ų107130.1 Ų130.166%0.65674%0.741SS**  cis-175.1174.6-16.839.30000107.9
637T28.5Very low28.7Very low120 Ų120132 Ų13274%0.73674%0.737SS**  trans67.4153157.448.80000118.5
638N28Very low28.6Very low121 Ų121135.2 Ų135.265%0.64774%0.74SS**  cis-159.11561.8-125.7-12000113
639N29.1Very low28.5Very low124 Ų124130.5 Ų130.566%0.66373%0.731SS**  trans41.7151.7135.9-69.6-19.6000123.5
640N26.8Very low28.6Very low135 Ų135133.5 Ų133.572%0.72273%0.731SS**  cis-175.9-169.8-24.5-128.8-43.6000108.6
641I31Very low28.7Very low158 Ų158134.1 Ų134.181%0.8174%0.735SS**  trans77.9133.8166.1-52.5175.2000115.9
642S29.6Very low28.7Very low94 Ų94127.3 Ų127.366%0.65773%0.725SS**  cis-164.9144.1-22.458.70000113.3
643C24.2Very low29.3Very low116 Ų116128.1 Ų128.178%0.78473%0.727SS**  trans27.5132140.9-470000122.6
644I30Very low28.7Very low170 Ų170127.1 Ų127.187%0.87273%0.728SS**  -163.9155.2123.2-101.9156.7000111.6
645S29.3Very low28.8Very low93 Ų93126.4 Ų126.465%0.6573%0.729SS**  trans-70.1177.4-170.968.10000116.6
646N28.8Very low28.9Very low132 Ų132126.8 Ų126.871%0.70673%0.731SS**  cis-167.6147.316.8-129-11.1000112.8
647K30.4Very low28.8Very low165 Ų165130.5 Ų130.572%0.71774%0.74SS**  trans45.8116.7145-61.2-170.9178.3-168.90125.9
648D27.2Very low29.3Very low126 Ų126129.8 Ų129.867%0.67474%0.738SS**  58.9141.4111.6-38.3-27.8000125.3
649N30.7Very low29.4Very low147 Ų147131.5 Ų131.579%0.78675%0.746SS**  trans76.7145.6149.6-67.9-12.3000120
650I31.5Very low29.6Very low125 Ų125131 Ų13164%0.64175%0.75SS**  cis-161.31490.9-120.6168.6000113.8
651L27.5Very low29.8Very low162 Ų162132.5 Ų132.585%0.84876%0.756SS**  trans54160.6159.6-88.670.6000125
652S24.5Very low29.9Very low101 Ų101130.3 Ų130.371%0.70675%0.752SS**  trans-115.1-163.4-172.965.10000111.4
653P37.8Very low29.7Very low122 Ų122137.3 Ų137.379%0.79276%0.764SS**  cis-122.7-141.2-5.127.6-0.3000111.2
654A26.6Very low30.1Very low81 Ų81139.7 Ų139.767%0.66977%0.767SS**  cis-163.6171.89.300000114.6
655T27.5Very low30Very low130 Ų130141.5 Ų141.580%0.79877%0.768SS**  trans44.4109.7154.9-41.50000121.9
656V29.5Very low30Very low133 Ų133141.2 Ų141.281%0.80677%0.772SS**  176.9137.4119.9150.20000110.4
657H26.7Very low30.1Very low185 Ų185140.2 Ų140.286%0.85677%0.772SS**  trans-133.6176173.7-97.4-39.4000109.2
658P38.1Very low30.2Very low105 Ų105136.8 Ų136.868%0.68277%0.767SS**  cis-136-167.4927.9-2.3000115.8
659L29.7Very low30.3Very low157 Ų157142.7 Ų142.782%0.82278%0.78SS**  trans99.9145.7155.7-57.7-172.9000119.3
660P34.1Very low30.3Very low114 Ų114143.4 Ų143.474%0.7477%0.773SS**  trans-127.1161.7-130.142.4-30.9000117.5
661I31.8Very low30.4Very low167 Ų167139.8 Ų139.886%0.85676%0.762SS**  trans-140141.1167.3-62.1-176.5000108.6
662P32.2Very low30.6Very low111 Ų111135.7 Ų135.772%0.72175%0.746SS**  trans-97.4153.7-165.336.6-36.8000116.8
663R25.4Very low31.3Very low241 Ų241135 Ų13591%0.90973%0.728SS**  trans56.3107156-66.3178.4178.4175.7-0.4119.2
664I31.9Very low31.4Very low166 Ų166132.3 Ų132.385%0.85172%0.717SS**  -130141.1116.8-64.3-173.5000107.2
665K28.4Very low32.1Very low208 Ų208132 Ų13290%0.90471%0.706SS**  trans-84.4119.4173.3-77.3-169.7174.3-167.90110.3
666A29.5Very low32.8Very low87 Ų87129.8 Ų129.872%0.71969%0.689SS**  trans-137.1122149.700000106.3
667P30.9Very low33.4Very low111 Ų111125.9 Ų125.972%0.72166%0.663SS**  trans-68147.117430.1-33.5000109.2
668P31.8Very low34Very low93 Ų93120.2 Ų120.260%0.60464%0.639SS**  trans-58147.3161.929-33.9000108.5Y670P668-Y670 VanDerWaalsContact C-N 3.27Å; P668-Y670 HydrophobicContact CG-CD2 4.45Å; P668-Y670 HydrophobicContact CG-CE2 4.16Å; P668-Y670 PolarHBondContact O-N 3.05Å
669R30Very low34.4Very low251 Ų251119 Ų11995%0.94763%0.63SS**  trans-72.590.9167-78.5-176.8173.1176.8-2.9107.6A671R669-A671 PolarHBondContact O-N 3.17Å
670Y31.4Very low35.3Very low161 Ų161113.1 Ų113.163%0.63160%0.597SS**PPolyproline II helixtrans-48.3124.3163.2-74.7-85.4000108.6P668 S672P668-Y670 VanDerWaalsContact C-N 3.27Å; P668-Y670 HydrophobicContact CG-CD2 4.45Å; P668-Y670 HydrophobicContact CG-CE2 4.16Å; P668-Y670 PolarHBondContact O-N 3.05Å; Y670-S672 PolarHBondContact O-N 2.95Å
671A32.1Very low35.9Very low50 Ų50110.1 Ų110.141%0.41357%0.574SS.*PPolyproline II helixtrans-62.6121156.900000105.5R669 V675 I676R669-A671 PolarHBondContact O-N 3.17Å; A671-V675 HydrophobicContact CB-CB 4.23Å; A671-V675 HydrophobicContact CB-CG1 4.35Å; A671-I676 HydrophobicContact CB-CD1 4.37Å; A671-I676 HydrophobicContact CB-CG1 4.13Å
672S33.5Very low36.6Very low75 Ų75108.4 Ų108.452%0.52456%0.556SS.*PPolyproline II helixtrans-57.7148.3-176.549.50000110.4Y670 A674 V675Y670-S672 PolarHBondContact O-N 2.95Å; S672-A674 CarbonylContact O-C 3.21Å; S672-A674 PolarHBondContact O-N 3.32Å; S672-V675 PolarHBondContact O-N 3.39Å
673R39.2Very low37.4Very low87 Ų87109.7 Ų109.733%0.32855%0.547SS..Hα-helixtrans-36.1-39.8177.2169.6154.2153.7-177.80.8115N677 D1114 E1119R673-N677 PolarHBondContact O-N 3.31Å; R673-D1114 WeakPolarHBondContact CD-OD2 3.47Å; R673-D1114 IonicContact CZ-OD2 2.66Å; R673-D1114 IonicContact NE-OD2 3.65Å; R673-D1114 IonicContact NH1-OD2 2.89Å; R673-D1114 PolarHBondContact NH1-OD2 3.39Å; R673-E1119 IonicContact CZ-OE1 3.13Å; R673-E1119 IonicContact CZ-OE2 2.71Å; R673-E1119 IonicContact NE-OE2 3.58Å; R673-E1119 IonicContact NH1-OE2 2.97Å; R673-E1119 PolarHBondContact NH1-OE2 3.37Å; R673-E1119 IonicContact NH2-OE1 2.71Å; R673-E1119 PolarHBondContact NH2-OE1 3.25Å; R673-E1119 IonicContact NH2-OE2 3.32Å; R673-E1119 PolarHBondContact NH2-OE2 3.46Å
674A39.8Very low38.7Very low66 Ų6698.9 Ų98.955%0.54551%0.507SS..Hα-helixtrans-49.6-57.1169.300000112.8S672 I676 D678S672-A674 CarbonylContact O-C 3.21Å; S672-A674 PolarHBondContact O-N 3.32Å; A674-I676 PolarHBondContact O-N 2.54Å; A674-D678 WeakPolarHBondContact O-CA 3.46Å; A674-D678 WeakPolarHBondContact O-CB 3.48Å; A674-D678 PolarHBondContact O-N 2.79Å
675V40.6Very low39.4Very low74 Ų7493.1 Ų93.145%0.44848%0.481SS..Hα-helixtrans-66.6-36.5-171.4-178.10000113.7A671 S672 T679A671-V675 HydrophobicContact CB-CB 4.23Å; A671-V675 HydrophobicContact CB-CG1 4.35Å; S672-V675 PolarHBondContact O-N 3.39Å; V675-T679 WeakPolarHBondContact O-CB 3.47Å; V675-T679 VanDerWaalsContact O-CG2 3.28Å; V675-T679 WeakPolarHBondContact O-CG2 3.36Å; V675-T679 PolarHBondContact O-N 3.38Å; V675-T679 VanDerWaalsContact O-N 3.08Å; V675-T679 PolarHBondContact O-OG1 3.32Å
676I41.2Very low40.2Very low84 Ų8489.5 Ų89.543%0.43146%0.462SS..Hα-helixtrans-73.4-51.6-179.9-63178.4000109.8A671 A674 D678 T679 Y680A671-I676 HydrophobicContact CB-CD1 4.37Å; A671-I676 HydrophobicContact CB-CG1 4.13Å; A674-I676 PolarHBondContact O-N 2.54Å; I676-D678 VanDerWaalsContact C-N 3.35Å; I676-D678 PolarHBondContact O-N 3.29Å; I676-T679 PolarHBondContact O-N 2.97Å; I676-T679 VanDerWaalsContact O-N 3.07Å; I676-T679 PolarHBondContact O-OG1 3.47Å; I676-T679 VanDerWaalsContact O-OG1 3.06Å; I676-Y680 PolarHBondContact O-N 2.88Å
677N42.2Very low41.2Very low50 Ų5089.1 Ų89.127%0.26745%0.448SS..Hα-helixtrans-66.1-38.6178.2-68.34000110.8R673 T679 M681 S1081R673-N677 PolarHBondContact O-N 3.31Å; N677-T679 PolarHBondContact O-N 3.19Å; N677-M681 WeakPolarHBondContact O-CA 3.37Å; N677-M681 WeakPolarHBondContact O-CB 3.41Å; N677-M681 WeakPolarHBondContact O-CG 3.48Å; N677-M681 PolarHBondContact O-N 3.14Å; N677-S1081 PolarHBondContact ND2-O 2.83Å
678D40.4Very low42Very low67 Ų6784.9 Ų84.936%0.35842%0.421SS..Hα-helixtrans-74.3-0.5174.7-160.778.1000113.9A674 I676 R682A674-D678 WeakPolarHBondContact O-CA 3.46Å; A674-D678 WeakPolarHBondContact O-CB 3.48Å; A674-D678 PolarHBondContact O-N 2.79Å; I676-D678 VanDerWaalsContact C-N 3.35Å; I676-D678 PolarHBondContact O-N 3.29Å; D678-R682 VanDerWaalsContact CG-CZ 3.44Å; D678-R682 WeakPolarHBondContact O-CB 3.46Å; D678-R682 WeakPolarHBondContact O-CG 3.31Å; D678-R682 IonicContact OD1-CZ 2.71Å; D678-R682 IonicContact OD1-NE 3.39Å; D678-R682 PolarHBondContact OD1-NE 2.95Å; D678-R682 IonicContact OD1-NH2 2.67Å; D678-R682 PolarHBondContact OD1-NH2 2.75Å; D678-R682 IonicContact OD2-CZ 2.72Å; D678-R682 IonicContact OD2-NE 3.86Å; D678-R682 PolarHBondContact OD2-NE 3.32Å; D678-R682 IonicContact OD2-NH1 3.99Å; D678-R682 IonicContact OD2-NH2 3.19Å; D678-R682 PolarHBondContact OD2-NH2 2.87Å
679T47.2Very low42.8Very low79 Ų7983.4 Ų83.449%0.48541%0.41SS..Hα-helixtrans-108.2-42.5167.3490000113.2V675 I676 N677 R683V675-T679 WeakPolarHBondContact O-CB 3.47Å; V675-T679 VanDerWaalsContact O-CG2 3.28Å; V675-T679 WeakPolarHBondContact O-CG2 3.36Å; V675-T679 PolarHBondContact O-N 3.38Å; V675-T679 VanDerWaalsContact O-N 3.08Å; V675-T679 PolarHBondContact O-OG1 3.32Å; I676-T679 PolarHBondContact O-N 2.97Å; I676-T679 VanDerWaalsContact O-N 3.07Å; I676-T679 PolarHBondContact O-OG1 3.47Å; I676-T679 VanDerWaalsContact O-OG1 3.06Å; N677-T679 PolarHBondContact O-N 3.19Å; T679-R683 WeakPolarHBondContact O-CB 3.46Å; T679-R683 PolarHBondContact O-N 2.81Å
680Y46.8Very low44.1Very low33 Ų3375.4 Ų75.413%0.12938%0.383CS..Hα-helixtrans-70.1-55.7174.1-169.5-102.1000110.6I676 R682 R683 I684 D1069I676-Y680 PolarHBondContact O-N 2.88Å; Y680-R682 PolarHBondContact O-N 3.02Å; Y680-R683 WeakPolarHBondContact O-CB 3.42Å; Y680-R683 PolarHBondContact O-N 3.05Å; Y680-I684 HydrophobicContact CD1-CD1 3.82Å; Y680-I684 HydrophobicContact CE1-CD1 3.42Å; Y680-I684 VanDerWaalsContact CE1-CD1 3.42Å; Y680-I684 HydrophobicContact CE2-CD1 4.42Å; Y680-I684 HydrophobicContact CG-CD1 4.47Å; Y680-I684 PolarHBondContact O-N 3.03Å; Y680-I684 VanDerWaalsContact O-N 3.1Å; Y680-D1069 PolarHBondContact OH-OD2 2.71Å
681M47.8Very low45.5Very low52 Ų5273.5 Ų73.526%0.25638%0.378SS..Hα-helixtrans-65.7-34.8177.5-56.9-68.4-77.100112.1N677 R683 C685 C1047N677-M681 WeakPolarHBondContact O-CA 3.37Å; N677-M681 WeakPolarHBondContact O-CB 3.41Å; N677-M681 WeakPolarHBondContact O-CG 3.48Å; N677-M681 PolarHBondContact O-N 3.14Å; M681-R683 VanDerWaalsContact C-N 3.31Å; M681-R683 PolarHBondContact O-N 2.87Å; M681-C685 WeakPolarHBondContact O-CA 3.39Å; M681-C685 WeakPolarHBondContact O-CB 3.38Å; M681-C685 PolarHBondContact O-N 3Å; M681-C685 PolarHBondContact O-SG 3.43Å; M681-C1047 HydrophobicContact CE-CB 3.92Å; M681-C1047 WeakPolarHBondContact CE-O 3.46Å; M681-C1047 HydrophobicContact SD-CB 3.85Å
682R47.2Very low46.3Very low130 Ų13078.9 Ų78.949%0.49139%0.389SS..Hα-helixtrans-79.5-1.7170.5-64.5-162-173.616928.3114.8D678 Y680 R686D678-R682 VanDerWaalsContact CG-CZ 3.44Å; D678-R682 WeakPolarHBondContact O-CB 3.46Å; D678-R682 WeakPolarHBondContact O-CG 3.31Å; D678-R682 IonicContact OD1-CZ 2.71Å; D678-R682 IonicContact OD1-NE 3.39Å; D678-R682 PolarHBondContact OD1-NE 2.95Å; D678-R682 IonicContact OD1-NH2 2.67Å; D678-R682 PolarHBondContact OD1-NH2 2.75Å; D678-R682 IonicContact OD2-CZ 2.72Å; D678-R682 IonicContact OD2-NE 3.86Å; D678-R682 PolarHBondContact OD2-NE 3.32Å; D678-R682 IonicContact OD2-NH1 3.99Å; D678-R682 IonicContact OD2-NH2 3.19Å; D678-R682 PolarHBondContact OD2-NH2 2.87Å; Y680-R682 PolarHBondContact O-N 3.02Å; R682-R686 WeakPolarHBondContact O-CB 3.39Å; R682-R686 PolarHBondContact O-NE 3.43Å; R682-R686 VanDerWaalsContact O-NE 3.1Å
683R48.2Very low47.4Very low138 Ų13881.6 Ų81.652%0.52139%0.391SS..Hα-helixtrans-83.1-62.6164.1-171.8175.8-68.3155.90.2107.2T679 Y680 M681 C685 R686 D687T679-R683 WeakPolarHBondContact O-CB 3.46Å; T679-R683 PolarHBondContact O-N 2.81Å; Y680-R683 WeakPolarHBondContact O-CB 3.42Å; Y680-R683 PolarHBondContact O-N 3.05Å; M681-R683 VanDerWaalsContact C-N 3.31Å; M681-R683 PolarHBondContact O-N 2.87Å; R683-C685 PolarHBondContact O-N 3.05Å; R683-R686 PolarHBondContact O-N 3.25Å; R683-D687 PolarHBondContact O-N 2.75Å
684I52.4Low48.7Very low15 Ų1583.6 Ų83.68%0.07740%0.399CS..Hα-helixtrans-50.3-56.4177.8-59.2176.7000111.4Y680 R686 S688 I1039Y680-I684 HydrophobicContact CD1-CD1 3.82Å; Y680-I684 HydrophobicContact CE1-CD1 3.42Å; Y680-I684 VanDerWaalsContact CE1-CD1 3.42Å; Y680-I684 HydrophobicContact CE2-CD1 4.42Å; Y680-I684 HydrophobicContact CG-CD1 4.47Å; Y680-I684 PolarHBondContact O-N 3.03Å; Y680-I684 VanDerWaalsContact O-N 3.1Å; I684-R686 PolarHBondContact O-N 3.14Å; I684-S688 VanDerWaalsContact O-CB 3.28Å; I684-S688 WeakPolarHBondContact O-CB 3.39Å; I684-S688 PolarHBondContact O-N 3.42Å; I684-S688 PolarHBondContact O-OG 3.1Å; I684-I1039 HydrophobicContact CD1-CD1 3.83Å; I684-I1039 HydrophobicContact CG1-CD1 3.77Å
685C46.6Very low50Low45 Ų4581.8 Ų81.830%0.30438%0.384SS..Hα-helixtrans-73.9-20.3-178.3-59.60000113.9M681 R683 S688 V689M681-C685 WeakPolarHBondContact O-CA 3.39Å; M681-C685 WeakPolarHBondContact O-CB 3.38Å; M681-C685 PolarHBondContact O-N 3Å; M681-C685 PolarHBondContact O-SG 3.43Å; R683-C685 PolarHBondContact O-N 3.05Å; C685-S688 WeakPolarHBondContact CA-OG 3.34Å; C685-S688 PolarHBondContact O-OG 3.04Å; C685-V689 WeakPolarHBondContact O-CB 3.23Å; C685-V689 WeakPolarHBondContact O-CG2 3.32Å; C685-V689 PolarHBondContact O-N 2.91Å; C685-V689 VanDerWaalsContact O-N 3.08Å
686R46.4Very low50.7Low131 Ų13180.1 Ų80.149%0.49438%0.378SS..Hα-helixtrans-82.8-45176.2-174.2-168.7-39.9-160.12.5111.1R682 R683 I684 V689 E690R682-R686 WeakPolarHBondContact O-CB 3.39Å; R682-R686 PolarHBondContact O-NE 3.43Å; R682-R686 VanDerWaalsContact O-NE 3.1Å; R683-R686 PolarHBondContact O-N 3.25Å; I684-R686 PolarHBondContact O-N 3.14Å; R686-V689 PolarHBondContact O-N 2.98Å; R686-E690 HydrophobicContact CG-CG 4.47Å; R686-E690 VanDerWaalsContact O-CB 3.24Å; R686-E690 WeakPolarHBondContact O-CB 3.24Å; R686-E690 WeakPolarHBondContact O-CG 3.32Å; R686-E690 PolarHBondContact O-N 3.07Å
687D49.8Very low51.7Low80 Ų8078.9 Ų78.943%0.42838%0.377SS..Hα-helixtrans-73.8-33.9-177.8-69.9-56.7000111R683 K691R683-D687 PolarHBondContact O-N 2.75Å; D687-K691 WeakPolarHBondContact O-CB 3.19Å; D687-K691 PolarHBondContact O-N 2.95Å
688S47.8Very low53Low22 Ų2282.9 Ų82.915%0.15439%0.394CS..Hα-helixtrans-66.6-50.1165.759.70000112.9I684 C685 E690 K691 Y692I684-S688 VanDerWaalsContact O-CB 3.28Å; I684-S688 WeakPolarHBondContact O-CB 3.39Å; I684-S688 PolarHBondContact O-N 3.42Å; I684-S688 PolarHBondContact O-OG 3.1Å; C685-S688 WeakPolarHBondContact CA-OG 3.34Å; C685-S688 PolarHBondContact O-OG 3.04Å; S688-E690 PolarHBondContact O-N 3.14Å; S688-K691 CarbonylContact O-C 3.44Å; S688-K691 PolarHBondContact O-N 2.86Å; S688-Y692 WeakPolarHBondContact O-CB 3.17Å; S688-Y692 PolarHBondContact O-N 2.63Å
689V48Very low54.4Low62 Ų6283.8 Ų83.838%0.37640%0.398SS..Hα-helixtrans-69.9-28.4-179173.90000112.6C685 R686 K693C685-V689 WeakPolarHBondContact O-CB 3.23Å; C685-V689 WeakPolarHBondContact O-CG2 3.32Å; C685-V689 PolarHBondContact O-N 2.91Å; C685-V689 VanDerWaalsContact O-N 3.08Å; R686-V689 PolarHBondContact O-N 2.98Å; V689-K693 HydrophobicContact CG1-CD 3.96Å; V689-K693 VanDerWaalsContact CG1-CE 3.49Å; V689-K693 HydrophobicContact CG1-CG 4.32Å; V689-K693 VanDerWaalsContact O-CB 3.25Å; V689-K693 WeakPolarHBondContact O-CB 3.36Å; V689-K693 WeakPolarHBondContact O-CD 3.38Å; V689-K693 WeakPolarHBondContact O-CG 3.46Å; V689-K693 PolarHBondContact O-N 2.78Å
690E57.8Low55.3Low83 Ų8388 Ų8839%0.38841%0.406SS..Hα-helixtrans-74-38.8169.6-80-155-152.900112.3R686 S688 Y692 K693 R694R686-E690 HydrophobicContact CG-CG 4.47Å; R686-E690 VanDerWaalsContact O-CB 3.24Å; R686-E690 WeakPolarHBondContact O-CB 3.24Å; R686-E690 WeakPolarHBondContact O-CG 3.32Å; R686-E690 PolarHBondContact O-N 3.07Å; S688-E690 PolarHBondContact O-N 3.14Å; E690-Y692 VanDerWaalsContact C-N 3.32Å; E690-K693 PolarHBondContact O-N 3.08Å; E690-R694 WeakPolarHBondContact O-CB 3.39Å; E690-R694 VanDerWaalsContact O-CG 3.25Å; E690-R694 WeakPolarHBondContact O-CG 3.39Å; E690-R694 PolarHBondContact O-N 3.05Å; E690-R694 IonicContact OE2-CZ 3.49Å; E690-R694 IonicContact OE2-NE 3.87Å; E690-R694 IonicContact OE2-NH2 3.39Å; E690-R694 PolarHBondContact OE2-NH2 3.44Å
691K59.7Low56.1Low121 Ų12190.9 Ų90.953%0.52642%0.423SS..Hα-helixtrans-61.3-42.2171.6-174.4-179.2-176.7-174.60110.9D687 S688 R694 A695D687-K691 WeakPolarHBondContact O-CB 3.19Å; D687-K691 PolarHBondContact O-N 2.95Å; S688-K691 CarbonylContact O-C 3.44Å; S688-K691 PolarHBondContact O-N 2.86Å; K691-R694 PolarHBondContact O-N 3.49Å; K691-A695 VanDerWaalsContact O-CB 3.28Å; K691-A695 WeakPolarHBondContact O-CB 3.38Å; K691-A695 PolarHBondContact O-N 2.8Å
692Y49.9Very low56.9Low163 Ų16390.9 Ų90.964%0.63943%0.432SS*.Hα-helixtrans-64.8-46.1171.9-175.6-99.9000112S688 E690 R694 A695 A696S688-Y692 WeakPolarHBondContact O-CB 3.17Å; S688-Y692 PolarHBondContact O-N 2.63Å; E690-Y692 VanDerWaalsContact C-N 3.32Å; Y692-R694 VanDerWaalsContact C-N 3.32Å; Y692-R694 PolarHBondContact O-N 3.33Å; Y692-A695 PolarHBondContact O-N 2.99Å; Y692-A696 HydrophobicContact CE1-CB 4.34Å; Y692-A696 WeakPolarHBondContact O-CA 3.48Å; Y692-A696 WeakPolarHBondContact O-CB 3.43Å; Y692-A696 PolarHBondContact O-N 3.32Å
693K55.7Low57.2Low131 Ų13185.8 Ų85.857%0.5742%0.419SS*.Hα-helixtrans-61.3-38.3175.6-79.2165.2-179.1166.90112.3V689 E690 S697V689-K693 HydrophobicContact CG1-CD 3.96Å; V689-K693 VanDerWaalsContact CG1-CE 3.49Å; V689-K693 HydrophobicContact CG1-CG 4.32Å; V689-K693 VanDerWaalsContact O-CB 3.25Å; V689-K693 WeakPolarHBondContact O-CB 3.36Å; V689-K693 WeakPolarHBondContact O-CD 3.38Å; V689-K693 WeakPolarHBondContact O-CG 3.46Å; V689-K693 PolarHBondContact O-N 2.78Å; E690-K693 PolarHBondContact O-N 3.08Å; K693-S697 WeakPolarHBondContact O-CB 3.44Å; K693-S697 PolarHBondContact O-N 2.84Å
694R67.1Low57.5Low130 Ų13082 Ų8249%0.49141%0.411SS..Hα-helixtrans-68.2-51.8174.7-69.4175.5-140.4137.20.6110.7E690 K691 Y692 A696 S697 E698E690-R694 WeakPolarHBondContact O-CB 3.39Å; E690-R694 VanDerWaalsContact O-CG 3.25Å; E690-R694 WeakPolarHBondContact O-CG 3.39Å; E690-R694 PolarHBondContact O-N 3.05Å; E690-R694 IonicContact OE2-CZ 3.49Å; E690-R694 IonicContact OE2-NE 3.87Å; E690-R694 IonicContact OE2-NH2 3.39Å; E690-R694 PolarHBondContact OE2-NH2 3.44Å; K691-R694 PolarHBondContact O-N 3.49Å; Y692-R694 VanDerWaalsContact C-N 3.32Å; Y692-R694 PolarHBondContact O-N 3.33Å; R694-A696 PolarHBondContact O-N 3.46Å; R694-S697 WeakPolarHBondContact O-CB 3.28Å; R694-S697 PolarHBondContact O-N 2.97Å; R694-E698 WeakPolarHBondContact O-CB 3.3Å; R694-E698 WeakPolarHBondContact O-CG 3.48Å; R694-E698 PolarHBondContact O-N 3.39Å
695A67.4Low57.3Low28 Ų2887.6 Ų87.623%0.23144%0.441CS..Hα-helixtrans-61.5-43.6178.400000112.8K691 Y692 E698 I699K691-A695 VanDerWaalsContact O-CB 3.28Å; K691-A695 WeakPolarHBondContact O-CB 3.38Å; K691-A695 PolarHBondContact O-N 2.8Å; Y692-A695 PolarHBondContact O-N 2.99Å; A695-E698 PolarHBondContact O-N 3.17Å; A695-I699 VanDerWaalsContact O-CB 3.31Å; A695-I699 WeakPolarHBondContact O-CB 3.48Å; A695-I699 WeakPolarHBondContact O-CD1 3.31Å; A695-I699 WeakPolarHBondContact O-CG1 3.37Å; A695-I699 PolarHBondContact O-N 3.06Å
696A55Low57.2Low38 Ų3891.3 Ų91.331%0.31445%0.452SS..Hα-helixtrans-67.9-35.4175.300000111.9Y692 R694 Y700Y692-A696 HydrophobicContact CE1-CB 4.34Å; Y692-A696 WeakPolarHBondContact O-CA 3.48Å; Y692-A696 WeakPolarHBondContact O-CB 3.43Å; Y692-A696 PolarHBondContact O-N 3.32Å; R694-A696 PolarHBondContact O-N 3.46Å; A696-Y700 WeakPolarHBondContact O-CB 3.46Å; A696-Y700 PolarHBondContact O-N 2.67Å
697S63.2Low56.8Low59 Ų5991.5 Ų91.541%0.41346%0.462SS..Hα-helixtrans-66.7-43.1171.7-176.50000111.7K693 R694 Y700 L701K693-S697 WeakPolarHBondContact O-CB 3.44Å; K693-S697 PolarHBondContact O-N 2.84Å; R694-S697 WeakPolarHBondContact O-CB 3.28Å; R694-S697 PolarHBondContact O-N 2.97Å; S697-Y700 PolarHBondContact O-N 3.19Å; S697-L701 VanDerWaalsContact O-CB 3.29Å; S697-L701 WeakPolarHBondContact O-CB 3.32Å; S697-L701 WeakPolarHBondContact O-CD1 3.43Å; S697-L701 WeakPolarHBondContact O-CG 3.28Å; S697-L701 PolarHBondContact O-N 2.94Å
698E69.1Low56.2Low133 Ų13394.8 Ų94.862%0.62148%0.48SS*.Hα-helixtrans-64.4-42175.3-74.3173.1-164.100111.9R694 A695 L701 A702R694-E698 WeakPolarHBondContact O-CB 3.3Å; R694-E698 WeakPolarHBondContact O-CG 3.48Å; R694-E698 PolarHBondContact O-N 3.39Å; A695-E698 PolarHBondContact O-N 3.17Å; E698-L701 PolarHBondContact O-N 2.79Å; E698-A702 WeakPolarHBondContact O-CB 3.47Å; E698-A702 PolarHBondContact O-N 3.38Å
699I70.5Confident55.5Low87 Ų8798.5 Ų98.545%0.44650%0.501SS..Hα-helixtrans-68-38.8174.4-71.3165.9000111A695 G703 F1003A695-I699 VanDerWaalsContact O-CB 3.31Å; A695-I699 WeakPolarHBondContact O-CB 3.48Å; A695-I699 WeakPolarHBondContact O-CD1 3.31Å; A695-I699 WeakPolarHBondContact O-CG1 3.37Å; A695-I699 PolarHBondContact O-N 3.06Å; I699-G703 WeakPolarHBondContact O-CA 3.05Å; I699-G703 PolarHBondContact O-N 2.85Å; I699-F1003 HydrophobicContact CD1-CZ 3.8Å
700Y64.3Low54.6Low167 Ų167104 Ų10466%0.65552%0.521SS*.Hα-helixtrans-67.1-42.5175.1-177.9-101.9000111.3A696 S697 G703 V704A696-Y700 WeakPolarHBondContact O-CB 3.46Å; A696-Y700 PolarHBondContact O-N 2.67Å; S697-Y700 PolarHBondContact O-N 3.19Å; Y700-G703 CarbonylContact O-C 3.6Å; Y700-G703 PolarHBondContact O-N 3.15Å; Y700-V704 HydrophobicContact CD1-CG2 4.12Å; Y700-V704 HydrophobicContact CD2-CG2 4.3Å; Y700-V704 HydrophobicContact CE1-CG2 3.77Å; Y700-V704 HydrophobicContact CE2-CG2 3.97Å; Y700-V704 HydrophobicContact CG-CG2 4.38Å; Y700-V704 WeakPolarHBondContact O-CB 3.42Å; Y700-V704 VanDerWaalsContact O-CG2 3.28Å; Y700-V704 WeakPolarHBondContact O-CG2 3.41Å; Y700-V704 PolarHBondContact O-N 3.23Å
701L64.4Low53.3Low93 Ų93105.4 Ų105.449%0.48754%0.539SS..Hα-helixtrans-65.5-44.2174.3-73.6165000111.4S697 E698 G703 N705S697-L701 VanDerWaalsContact O-CB 3.29Å; S697-L701 WeakPolarHBondContact O-CB 3.32Å; S697-L701 WeakPolarHBondContact O-CD1 3.43Å; S697-L701 WeakPolarHBondContact O-CG 3.28Å; S697-L701 PolarHBondContact O-N 2.94Å; E698-L701 PolarHBondContact O-N 2.79Å; L701-G703 VanDerWaalsContact C-N 3.27Å; L701-G703 PolarHBondContact O-N 3.49Å; L701-N705 WeakPolarHBondContact O-CB 3.08Å; L701-N705 PolarHBondContact O-N 3.25Å; L701-N705 PolarHBondContact O-ND2 2.74Å
702A63.9Low51.8Low53 Ų53104.3 Ų104.344%0.43855%0.547SS..Hα-helixtrans-65.9-29.9173.900000112.8E698 K706E698-A702 WeakPolarHBondContact O-CB 3.47Å; E698-A702 PolarHBondContact O-N 3.38Å; A702-K706 WeakPolarHBondContact O-CG 3.43Å; A702-K706 PolarHBondContact O-N 2.81Å
703G54.3Low50.7Low22 Ų22102 Ų10223%0.22755%0.554CS.*Hα-helixtrans-73-52.917500000112.1I699 Y700 L701 N705 K706 L707I699-G703 WeakPolarHBondContact O-CA 3.05Å; I699-G703 PolarHBondContact O-N 2.85Å; Y700-G703 CarbonylContact O-C 3.6Å; Y700-G703 PolarHBondContact O-N 3.15Å; L701-G703 VanDerWaalsContact C-N 3.27Å; L701-G703 PolarHBondContact O-N 3.49Å; G703-N705 VanDerWaalsContact C-N 3.32Å; G703-N705 PolarHBondContact O-N 2.91Å; G703-K706 CarbonylContact O-C 3.59Å; G703-K706 WeakPolarHBondContact O-CA 3.38Å; G703-K706 WeakPolarHBondContact O-CB 3.49Å; G703-K706 PolarHBondContact O-N 3.41Å; G703-L707 VanDerWaalsContact O-CB 3.31Å; G703-L707 WeakPolarHBondContact O-CB 3.38Å; G703-L707 WeakPolarHBondContact O-CG 3.42Å; G703-L707 PolarHBondContact O-N 3.32Å
704V54.8Low49.5Very low59 Ų59101 Ų10136%0.35856%0.562SS.*Hα-helixtrans-59.6-41.5175.9169.40000110.9Y700 K706 L707 N708Y700-V704 HydrophobicContact CD1-CG2 4.12Å; Y700-V704 HydrophobicContact CD2-CG2 4.3Å; Y700-V704 HydrophobicContact CE1-CG2 3.77Å; Y700-V704 HydrophobicContact CE2-CG2 3.97Å; Y700-V704 HydrophobicContact CG-CG2 4.38Å; Y700-V704 WeakPolarHBondContact O-CB 3.42Å; Y700-V704 VanDerWaalsContact O-CG2 3.28Å; Y700-V704 WeakPolarHBondContact O-CG2 3.41Å; Y700-V704 PolarHBondContact O-N 3.23Å; V704-K706 PolarHBondContact O-N 2.91Å; V704-K706 VanDerWaalsContact O-N 3.12Å; V704-L707 PolarHBondContact O-N 2.9Å; V704-N708 WeakPolarHBondContact O-CB 3.23Å; V704-N708 PolarHBondContact O-N 2.84Å
705N48.6Very low47.4Very low132 Ų13299.8 Ų99.871%0.70657%0.573SS**Hα-helixtrans-66.5-9173.8-72.3-37000114.2L701 G703L701-N705 WeakPolarHBondContact O-CB 3.08Å; L701-N705 PolarHBondContact O-N 3.25Å; L701-N705 PolarHBondContact O-ND2 2.74Å; G703-N705 VanDerWaalsContact C-N 3.32Å; G703-N705 PolarHBondContact O-N 2.91Å
706K44.5Very low45.5Very low124 Ų124105.7 Ų105.754%0.53960%0.599SS.*Hα-helixtrans-108.2-28.1170.3-76.7178174.4177.80113.9A702 G703 V704A702-K706 WeakPolarHBondContact O-CG 3.43Å; A702-K706 PolarHBondContact O-N 2.81Å; G703-K706 CarbonylContact O-C 3.59Å; G703-K706 WeakPolarHBondContact O-CA 3.38Å; G703-K706 WeakPolarHBondContact O-CB 3.49Å; G703-K706 PolarHBondContact O-N 3.41Å; V704-K706 PolarHBondContact O-N 2.91Å; V704-K706 VanDerWaalsContact O-N 3.12Å
707L36.2Very low44Very low135 Ų135113.7 Ų113.771%0.70763%0.63SS**Hα-helixtrans-99-9.5-173.3-68.7173.1000113.6G703 V704 V709G703-L707 VanDerWaalsContact O-CB 3.31Å; G703-L707 WeakPolarHBondContact O-CB 3.38Å; G703-L707 WeakPolarHBondContact O-CG 3.42Å; G703-L707 PolarHBondContact O-N 3.32Å; V704-L707 PolarHBondContact O-N 2.9Å; L707-V709 PolarHBondContact O-N 3.21Å
708N37.4Very low42.2Very low148 Ų148115.3 Ų115.379%0.79164%0.642SS**SBendtrans-69.821.7159.9-152.617.5000112.7V704V704-N708 WeakPolarHBondContact O-CB 3.23Å; V704-N708 PolarHBondContact O-N 2.84Å
709V34.5Very low40.2Very low100 Ų100114.1 Ų114.161%0.60665%0.648SS**SBendtrans-123.387.7168.2-177.80000107.3L707L707-V709 PolarHBondContact O-N 3.21Å
710K28.7Very low38.2Very low179 Ų179116.7 Ų116.778%0.77867%0.668SS**SBendtrans104.3106168.4-57.6161.5-178.3176.30118.1
711S30Very low36.5Very low112 Ų112114.5 Ų114.578%0.78367%0.674SS**  trans61.5143.4135.350.90000120.9
712S27.8Very low34.6Very low98 Ų98116.3 Ų116.369%0.68569%0.69SS**  cis-174.6143.84.1410000114.5
713S26.8Very low33Very low114 Ų114121.8 Ų121.880%0.79771%0.71SS**  trans65.8172145.2-55.80000118.5
714P30.7Very low32Very low111 Ų111125.8 Ų125.872%0.72173%0.732SS**  cis-135.3173.80.343.3-26.8000118.2
715S24.5Very low30.5Very low103 Ų103128 Ų12872%0.7275%0.749SS**  trans87.8140.9142.477.90000123.8
716L26.3Very low29.5Very low152 Ų152126.9 Ų126.980%0.79675%0.752SS**  trans61.485147.5-75.2161.3000121.4
717Q23.2Very low28.5Very low206 Ų206128.3 Ų128.396%0.96376%0.761SS**  -137.3135.3122.8-75.5-161.3-5.100110.8
718S26.3Very low28.2Very low93 Ų93132.5 Ų132.565%0.6577%0.767SS**  trans-148.198.217556.10000107.7
719S25.8Very low27.6Very low108 Ų108129.7 Ų129.776%0.75576%0.759SS**  88.6108.582.868.10000112.9
720T28.9Very low27.4Very low142 Ų142131.3 Ų131.387%0.87176%0.764SS**  trans-72.7135.2158.637.60000110
721P28.9Very low27.6Very low120 Ų120130 Ų13078%0.77977%0.766SS**  trans-99166.2171.536.9-32.4000112.2
722T25.3Very low27.5Very low132 Ų132129.3 Ų129.381%0.8176%0.761SS**  trans-135.9133172.4-550000109.2
723I30.7Very low27.6Very low168 Ų168130.8 Ų130.886%0.86277%0.766SS**  trans-175.1150.5146.8-101.4154.4000110
724P33Very low27.9Very low106 Ų106130.8 Ų130.869%0.68876%0.761SS**  trans-123.5175.8-159.142.4-29.6000115.4
725S23Very low27.8Very low104 Ų104129.7 Ų129.773%0.72776%0.756SS**  161.9143.1129.3-72.20000114.1
726S26.5Very low28Very low109 Ų109133.3 Ų133.376%0.76276%0.762SS**  trans57.5155.3167.259.70000117.1
727E25.1Very low28.3Very low155 Ų155133.2 Ų133.272%0.72476%0.757SS**  cis-160.1148.3-14.3-114.3171.1-139.400104
728W27.9Very low28.6Very low223 Ų223129.9 Ų129.985%0.84574%0.741SS**  cis-149.8164.937.5-76.8-53000113.8
729S26Very low28.7Very low88 Ų88132.5 Ų132.562%0.61574%0.743SS**  trans-39.8147.7167.352.80000119.3
730N30.7Very low28.9Very low134 Ų134134.8 Ų134.872%0.71774%0.741SS**  -172.3130.599.2-93.5-41.7000115
731N31.4Very low28.7Very low151 Ų151137 Ų13781%0.80774%0.742SS**  trans60.1137154.9-56.5-21.6000120.4
732S29.4Very low28.7Very low98 Ų98135.7 Ų135.769%0.68574%0.741SS**  cis-171.2137.1-9.850.40000112.6
733V30.4Very low28.8Very low129 Ų129140.9 Ų140.978%0.78275%0.748SS**  trans59.4127.5133.9174.10000119.5
734T31.3Very low28.7Very low115 Ų115139.2 Ų139.271%0.70674%0.741SS**  cis-166.1154.9-8.526.60000110.8
735S30Very low28.5Very low87 Ų87140.5 Ų140.561%0.60874%0.74SS**  trans52.3118.2143.170.80000121.1
736E28.2Very low28.9Very low180 Ų180142 Ų14284%0.84174%0.74SS**  75.4154.594.2-64.8172.2-160.700115.1
737H31.6Very low28.9Very low149 Ų149141.6 Ų141.669%0.6974%0.738SS**  cis-147.9176.40.8-149.5-112000112.1
738H30.1Very low29.1Very low137 Ų137141.8 Ų141.863%0.63474%0.74SS**  trans-33.7136.1176.6-73.972.1000121
739Q29.3Very low29.3Very low148 Ų148139.4 Ų139.469%0.69274%0.736SS**  60.6118.2116.3-157.6170.7-4.300122.6
740Q28.9Very low29.5Very low155 Ų155140.9 Ų140.972%0.72474%0.742SS**  trans62.4115.4149.5-70.3172.5-51.700122
741Q26Very low29.4Very low188 Ų188141.7 Ų141.788%0.87975%0.746SS**  trans48.9106.4142.3-63.7-174.8-8.200120.8
742A27.4Very low29.3Very low93 Ų93142.7 Ų142.777%0.76975%0.745SS**  179.9133.6114.800000113
743Y28Very low29.5Very low241 Ų241145.4 Ų145.495%0.94575%0.748SS**  trans-166.6153.6140.6-108.2-69.2000109.9
744N28.1Very low29.6Very low134 Ų134146.4 Ų146.472%0.71775%0.747SS**  trans-161144.8-154-161.211.3000113.4
745I30.2Very low29.5Very low132 Ų132147.3 Ų147.368%0.67775%0.752SS**  trans55.8139.7154.7-84.3168.3000118.9
746N30Very low29.7Very low135 Ų135151.8 Ų151.872%0.72276%0.76SS**  cis-154.6154.6-5.4-109.9-15.8000107.5
747S25.9Very low29.7Very low102 Ų102149.8 Ų149.871%0.71376%0.756SS**  86.1114.651.8-168.80000116.7
748M29.7Very low29.7Very low159 Ų159147.8 Ų147.878%0.78375%0.754SS**  trans-165.9122.9147.3-98.4-142.7-174.800113.6
749K32Very low29.5Very low173 Ų173149.3 Ų149.375%0.75276%0.762SS**  trans53.4143.2136.5-60.1-172.9179.1-178.20120.5
750T30.8Very low29.4Very low119 Ų119147.6 Ų147.673%0.7377%0.766SS**  cis-162.3145.4-1.310.50000107
751N28.6Very low29.3Very low151 Ų151145.3 Ų145.381%0.80777%0.767SS**  -167.3173.477.2-110.1-7.3000112
752E30.5Very low29.3Very low171 Ų171143.4 Ų143.480%0.79976%0.763SS**  trans-77.1170.2-179.2-51.9178.3145.800112.4
753Q32.2Very low29.4Very low156 Ų156146.6 Ų146.673%0.72976%0.762SS**  cis-155.515233.8-62.4177.8-29.200114.6
754I32.1Very low29.2Very low149 Ų149141.7 Ų141.776%0.76475%0.75SS**  trans69155.5145.4-78.7169000116.2
755V30.8Very low29Very low135 Ų135140.8 Ų140.882%0.81875%0.754SS**  cis-111.3-132.54.8-155.60000111.5
756K33.2Very low28.7Very low180 Ų180139.1 Ų139.178%0.78375%0.754SS**  trans-152.3154.2169.8-65.6-176.4-180177.50109.2
757N28.9Very low28.5Very low139 Ų139137.6 Ų137.674%0.74375%0.749SS**  trans37.9144.7133.6-61.837.5000121.2
758T30.2Very low28.9Very low107 Ų107140.4 Ų140.466%0.65675%0.754SS**  cis-164.7161.82.210.10000112.1
759E27.7Very low28.8Very low169 Ų169140.8 Ų140.879%0.7975%0.748SS**  trans68.9121143.8-74164.5179.300123.6
760S26.3Very low28.5Very low112 Ų112139.8 Ų139.878%0.78375%0.746SS**  trans87.8133.8136.170.20000122.2
761S26.2Very low28.9Very low107 Ų107139.7 Ų139.775%0.74875%0.747SS**  trans74122157.4-58.80000121.7
762D25.5Very low28.9Very low147 Ų147138.6 Ų138.679%0.78674%0.741SS**  trans80.5128.8140.8-69-23.1000124.2
763Q29.5Very low28.9Very low161 Ų161138.2 Ų138.275%0.75274%0.74SS**  trans84.5107.3147.4-71.6-17917.700123
764I25.4Very low28.8Very low137 Ų137135 Ų13570%0.70374%0.735SS**  91.3117.9122.1-68.7170.3000119.9
765C23.5Very low28.7Very low116 Ų116139 Ų13978%0.78474%0.742SS**  trans65.7152.4154.8-75.10000120.7
766S24.5Very low28.6Very low97 Ų97140.6 Ų140.668%0.67874%0.74SS**  cis-170.6-149.7-21.159.30000109.4
767V25Very low29.2Very low103 Ų103137.2 Ų137.262%0.62474%0.736SS**  trans75.2133.2175.1-160.10000112.6Y769V767-Y769 HydrophobicContact CG1-CD2 3.58Å; V767-Y769 HydrophobicContact CG1-CE2 3.75Å; V767-Y769 HydrophobicContact CG1-CG 4.32Å
768I33.4Very low29.1Very low160 Ų160136.8 Ų136.882%0.82173%0.734SS**  -171.9139.578.7-74.8164.3000106.2
769Y28Very low29.2Very low168 Ų168137.1 Ų137.166%0.65974%0.736SS**  cis-172.3155-16.2-131.2-67.1000108.7V767V767-Y769 HydrophobicContact CG1-CD2 3.58Å; V767-Y769 HydrophobicContact CG1-CE2 3.75Å; V767-Y769 HydrophobicContact CG1-CG 4.32Å
770H27.1Very low29.4Very low152 Ų152135.8 Ų135.870%0.70473%0.733SS**  trans65164.9160.9-65.7-58.1000119.4
771P38.2Very low29.8Very low117 Ų117135.8 Ų135.876%0.7673%0.728SS**  cis-120.1177.8-7.233.5-15.1000115.3
772N28Very low29.9Very low128 Ų128136.4 Ų136.468%0.68472%0.723SS**  trans-88.3-158.4177-53.3-19.9000110.7
773E31.3Very low30.3Very low163 Ų163136.7 Ų136.776%0.76272%0.72SS**  cis-172.6157.416.8-139.7146.6-104.800107.4
774S30.6Very low30.4Very low89 Ų89135.4 Ų135.462%0.62272%0.718SS**  cis-169.3176.8-29.362.30000107.8
775Y30.1Very low30.6Very low233 Ų233134.9 Ų134.991%0.91472%0.716SS**  175.6148.8127.6-109.2-81.6000112.7
776E27.1Very low31.1Very low168 Ų168134.3 Ų134.379%0.78571%0.705SS**  trans-133.1171.1-167.3-144.6-169.8-146.700111.3
777P46.2Very low31.5Very low108 Ų108136.5 Ų136.570%0.70170%0.703SS**  -144.6-170.481.844.3-26.6000112.8
778D27.4Very low31.7Very low130 Ų130138.8 Ų138.870%0.69571%0.71SS**  cis-159.2149.914.2-149.919.1000113.8
779V31.1Very low32.1Very low115 Ų115136.4 Ų136.470%0.69771%0.705SS**  trans31.1120.6138.1170.70000119.1
780I33.2Very low32.1Very low141 Ų141134.7 Ų134.772%0.72371%0.707SS**  -159.5123.473.8-75.6-176.6000113.6
781T33.8Very low32.4Very low112 Ų112134.7 Ų134.769%0.68771%0.708SS**  trans30.4154.6140.877.50000124.9
782N30Very low31.9Very low120 Ų120138.7 Ų138.764%0.64271%0.713SS**  cis-168.5153.2-10.5-106.321.7000113.2
783E33.2Very low32Very low153 Ų153138.9 Ų138.972%0.71572%0.718SS**  trans57.2122.3135.1-61.416915000125.7
784N31.3Very low31.9Very low133 Ų133139 Ų13971%0.71172%0.719SS**  trans65.1161.1130.7-69.350.7000121.3
785D30.6Very low31.9Very low126 Ų126140.7 Ų140.767%0.67473%0.725SS**  cis-156.3-168.7-3.6-124.2-30.5000108.7
786D32.7Very low31.6Very low104 Ų104134.4 Ų134.456%0.55672%0.716SS**  cis-155.81649.9-150.1-0.3000115.9
787K32.9Very low31.7Very low144 Ų144133.1 Ų133.163%0.62672%0.719SS**  trans19.6123.1148.4-81.4170.5-147.872.90125.6
788I30.5Very low30.7Very low151 Ų151138.3 Ų138.377%0.77473%0.726SS**  78.3145.3117.4-69.2178000121.7
789P40.8Very low31.1Very low110 Ų110137 Ų13771%0.71472%0.724SS**  trans-119.2-177.1-171.344.6-32.6000115.3
790D27.9Very low30.8Very low131 Ų131137.1 Ų137.170%0.70173%0.725SS**  -173.5164.9124.3-132.3-16.5000118.1
791Q33.8Very low30.4Very low153 Ų153136.3 Ų136.372%0.71573%0.727SS**  trans48.4118.3152.7-70.5164.962.200121.5
792K26.9Very low29.9Very low200 Ų200135.9 Ų135.987%0.8773%0.729SS**  71.8125.871.1-86-174.3173.8174.50117.1
793V30.9Very low29.9Very low132 Ų132138.2 Ų138.280%0.874%0.741SS**  166.6113.7125.8155.90000114.3
794H29.8Very low29.7Very low167 Ų167138.4 Ų138.477%0.77375%0.746SS**  trans60.2123.1142-86-81.1000128.2
795T29.5Very low29.9Very low124 Ų124137.5 Ų137.576%0.76175%0.747SS**  trans87.1146.1132.9-43.70000120.5
796S24.4Very low29.9Very low101 Ų101136.6 Ų136.671%0.70675%0.75SS**  trans-95.2155.6-171.856.20000115.6
797V28.9Very low29.9Very low141 Ų141137.1 Ų137.186%0.85576%0.762SS**  trans-176.3145130.5139.70000110.7
798Y25.6Very low30Very low217 Ų217135.8 Ų135.885%0.85177%0.769SS**  trans-77.3170.5171.8-73.1-84.4000111.4
799P35.2Very low30Very low101 Ų101133 Ų13366%0.65676%0.762SS**  cis-14117612.639.4-18.7000117.6
800T24.7Very low29.6Very low118 Ų118135.9 Ų135.972%0.72477%0.77SS**  trans60.8141.4145.945.50000124.4
801T25.2Very low29.6Very low125 Ų125134.9 Ų134.977%0.76777%0.773SS**  trans77.512014841.10000122.5
802S24.2Very low29.9Very low103 Ų103133.1 Ų133.172%0.7278%0.775SS**  trans58.8123144.462.10000121.5
803L29.8Very low29.9Very low169 Ų169129 Ų12989%0.88577%0.771SS**  -173155.6103-96.8162.9000113.4
804L27.4Very low29.8Very low157 Ų157127.7 Ų127.782%0.82277%0.768SS**  trans-81.6173.2166.5-86.3111.4000110.4
805P35.7Very low29.8Very low113 Ų113125.2 Ų125.273%0.73477%0.769SS**  cis-136.9-167.528.837.4-12.5000114
806S32.3Very low29.7Very low107 Ų107124.2 Ų124.275%0.74877%0.767SS**  cis-151.4163.818.2-40.50000113.9
807S31.3Very low29.8Very low115 Ų115124.1 Ų124.180%0.80477%0.767SS**  trans-56.2170.4175.2-38.80000115.4
808P35.8Very low29.8Very low117 Ų117122.7 Ų122.776%0.7676%0.763SS**  cis-137.4-164.715.446.5-27.4000113.9
809S30.8Very low29.8Very low92 Ų92119.6 Ų119.664%0.64376%0.761SS**  cis-162.2140.2-1.613.60000112.9
810I31.3Very low29.5Very low171 Ų171123.2 Ų123.288%0.87777%0.769SS**  trans70.8155.1143.6-58.7172.2000118.1
811S28.3Very low29.8Very low109 Ų109124.8 Ų124.876%0.76277%0.772SS**  trans-146.8174.1-148.348.30000114.3
812P40Very low30.2Very low116 Ų116126.6 Ų126.675%0.75378%0.775SS**  trans-121.3-165.4-154.245.2-35.5000117.6
813S27.2Very low30.5Very low113 Ų113124.7 Ų124.779%0.7977%0.772SS**  trans77164.6175.491.60000114.8
814S29.3Very low30.5Very low106 Ų106124.2 Ų124.274%0.74177%0.769SS**  cis-172.8167.1-9.837.20000108.1
815S28.2Very low30.5Very low114 Ų114123.4 Ų123.480%0.79777%0.765SS**  cis-172.2-174.6-23.462.60000110.2
816S28.4Very low30.4Very low103 Ų103125 Ų12572%0.7277%0.766SS**  trans92.4115.9155-152.90000123
817S27.3Very low30.2Very low100 Ų100127.8 Ų127.870%0.69977%0.767SS**  60.6115.7128.6-46.70000125.7
818S27.1Very low30.5Very low111 Ų111127.5 Ų127.578%0.77676%0.763SS**  93.6144.7127.5-62.20000123.7
819L26.6Very low30Very low152 Ų152128.1 Ų128.180%0.79676%0.759SS**  trans98.4124.3154.9-57.5-169.6000121.9
820E29.7Very low30Very low177 Ų177131 Ų13183%0.82777%0.768SS**  trans63.8179.5141.4-63.3-164136.700121.8
821L29.8Very low30Very low150 Ų150130.2 Ų130.279%0.78576%0.76SS**  trans-86127.9-153-86.263.2000114.2
822I33.7Very low30.1Very low164 Ų164131.7 Ų131.784%0.84176%0.755SS**  trans44108.6130.9-48171.9000117.3
823G31Very low29.7Very low63 Ų63134.4 Ų134.465%0.64976%0.755SS**  142.983.1127.300000121.8
824I29.6Very low29.5Very low159 Ų159136.6 Ų136.682%0.81576%0.757SS**  trans78.6150.4138.8-60.7168.1000118.7
825D27.8Very low29.4Very low139 Ų139136.7 Ų136.774%0.74376%0.758SS**  trans61.2114.6-178.7-61.9-18.7000116.7
826I32.2Very low29.3Very low146 Ų146138.2 Ų138.275%0.74976%0.756SS**  cis87.985.331.2-51.1172.2000114.8
827Q28Very low29.2Very low166 Ų166140.5 Ų140.578%0.77676%0.759SS**  trans49.6175131.5-96.6-163.5-40.900121.7
828P37.9Very low29.2Very low110 Ų110140.6 Ų140.671%0.71476%0.76SS**  cis-127.7-165.1-6.531.4-8000114.8
829D26.3Very low29.2Very low129 Ų129139.8 Ų139.869%0.6976%0.755SS**  trans-66.9-178.4175-40.5-91.7000113.1
830D29.8Very low29.2Very low154 Ų154140.3 Ų140.382%0.82475%0.753SS**  cis-164.9-164.420.8-153-28.3000111.5
831E31.8Very low29.2Very low153 Ų153140.2 Ų140.272%0.71575%0.75SS**  trans97.898.2158.3-67.4-155.9-159.300122.9
832H31.1Very low29.1Very low141 Ų141140 Ų14065%0.65375%0.749SS**  81.1133.5117.2-71.1-24.7000126.3
833K31.2Very low28.9Very low173 Ų173137 Ų13775%0.75274%0.743SS**  trans86.3102.3140.4-76.7167.1-177.6160.20123.4
834L23.4Very low29.5Very low158 Ų158138.3 Ų138.383%0.82774%0.74SS**  72.5146.2125.8-66172.5000122.8
835S26.6Very low29.6Very low109 Ų109138.7 Ų138.776%0.76274%0.738SS**  trans83.9145.1163.379.10000118.9
836L26.8Very low29.7Very low146 Ų146138.7 Ų138.776%0.76474%0.739SS**  cis-165.9141.6-18.5-109.7173.3000109.9
837L24.6Very low29.7Very low151 Ų151140.3 Ų140.379%0.79174%0.743SS**  trans65.1143.8160.5-52.6166.1000117.4
838S27.5Very low29.8Very low102 Ų102140.8 Ų140.871%0.71375%0.745SS**  cis-157.815331.5-54.10000115.3
839S28.3Very low29.4Very low94 Ų94144.4 Ų144.466%0.65775%0.75SS**  trans50.798.1142.664.10000123.7
840E27Very low29.7Very low162 Ų162146 Ų14676%0.75775%0.753SS**  57.2152.9104.9-67.5163.9111.500125.5
841F29.3Very low29.6Very low175 Ų175145.6 Ų145.677%0.76875%0.751SS**  trans75135167.9-63.8-72.2000118.4
842D27Very low29.7Very low145 Ų145143.9 Ų143.978%0.77576%0.756SS**  cis-152178.3-4.9-147.6-15.5000113.1
843S30.1Very low29.7Very low102 Ų102140 Ų14071%0.71375%0.754SS**  trans-101.2-173.1-166.6-101.30000115.2
844P43.4Very low29.8Very low90 Ų90139.4 Ų139.458%0.58476%0.759SS**  cis-139.5-166.1-31.337.4-17.7000114.6
845E31.5Very low30.3Very low167 Ų167138.8 Ų138.878%0.7876%0.761SS**  trans72.1138.8151.3-77.2146.2-134.800119.5
846D30.4Very low30.5Very low140 Ų140140.8 Ų140.875%0.74976%0.764SS**  cis-153170.54.3-143-17.5000115.2
847E31.4Very low30.8Very low180 Ų180139.5 Ų139.584%0.84177%0.767SS**  trans64132.5167.5-63.2-160.1144.300122.9
848Q30.6Very low31Very low176 Ų176135.5 Ų135.582%0.82276%0.762SS**  trans-105.6147.1167-58.6170.2-10.900108.1
849K29.1Very low31.1Very low185 Ų185139.5 Ų139.580%0.80477%0.774SS**  cis79.5143.131.1-157.9179.3-175.8-179.80114.7
850Q31.9Very low31.1Very low162 Ų162139 Ų13976%0.75778%0.784SS**  trans94.1150.4167.9-57.4-172.227.700118
851N27.9Very low31.1Very low147 Ų147134.7 Ų134.779%0.78678%0.783SS**  cis-167.8173.2-42-121.738.8000110.2
852S35Very low31.2Very low117 Ų117131.7 Ų131.782%0.81878%0.784SS**  trans-106161173.655.80000113.9
853G31.4Very low31.3Very low60 Ų60131.4 Ų131.462%0.61978%0.782SS**  trans-169.9133164.300000108.8
854D31.9Very low31.1Very low160 Ų160134 Ų13486%0.85678%0.783SS**  80.8132.478.2-78-5.9000111.8
855V34.2Very low30.4Very low144 Ų144135.3 Ų135.387%0.87379%0.79SS**  cis-147.8178.612.3-103.50000112.1
856D30.7Very low30.3Very low152 Ų152133 Ų13381%0.81379%0.787SS**  trans-84.5150.2-174.6-178.730.3000116.3
857S34.1Very low30.3Very low119 Ų119134.8 Ų134.883%0.83279%0.788SS**  trans177.1135.3148.737.90000110.9
858G29.5Very low30.2Very low66 Ų66130.6 Ų130.668%0.6878%0.778SS**  trans-117.4-172.5-165.600000117.8
859L29Very low30Very low186 Ų186129.7 Ų129.797%0.97477%0.774SS**  trans69.2129170.4-46.4176.9000116.5
860G27.6Very low30.1Very low84 Ų84128 Ų12887%0.86677%0.768SS**  cis150.7150-7.500000112.6
861G26.6Very low30Very low71 Ų71126.3 Ų126.373%0.73276%0.761SS**  trans145.1154.2169.800000116
862S32.2Very low29.7Very low113 Ų113128.3 Ų128.379%0.7977%0.765SS**  trans52.8140.7173.747.30000119.3
863D28.8Very low29.6Very low138 Ų138127.3 Ų127.374%0.73876%0.756SS**  cis-151.3161.1-9.1-112.8-31.5000115.1
864H27.1Very low29.2Very low158 Ų158133 Ų13373%0.73177%0.766SS**  trans-39164.7159.3-64.4-69.9000115.8
865T27.9Very low29.1Very low117 Ų117132.9 Ų132.972%0.71876%0.764SS**  cis-169.2172.116.2-4.40000112.1
866V29Very low28.6Very low119 Ų119135.1 Ų135.172%0.72176%0.762SS**  trans70129.4146.9150.50000116.8
867K29.7Very low28.4Very low177 Ų177137.4 Ų137.477%0.7777%0.765SS**  cis-151.3170.52.7-107.4169.1179.6-175.90108.1
868S29.3Very low27.9Very low91 Ų91136.7 Ų136.764%0.63676%0.76SS**  cis172.9174.9-33.3-85.80000107.6
869E28Very low27.7Very low158 Ų158139.5 Ų139.574%0.73876%0.764SS**  trans66.8-179.8169.8-49.7-178.343.200113.2
870H31.3Very low27.5Very low148 Ų148135.1 Ų135.169%0.68575%0.749SS**  cis-146.2126.91-16189.5000108.7
871Q28Very low27.3Very low128 Ų128138.3 Ų138.360%0.59874%0.744SS**  cis-160.6151.1-5.1-170.5-150.1125.400109.4
872Q22.9Very low27.4Very low189 Ų189143 Ų14388%0.88375%0.752SS**  trans-143.8124.1158.2-168.5-175.670.700108.3
873P31.7Very low27Very low96 Ų96145.5 Ų145.562%0.62375%0.751SS**  trans-101.2139.2-172.535-32.5000114.8
874Q24.3Very low26.8Very low178 Ų178147.7 Ų147.783%0.83276%0.759SS**  trans-128.8131166.1-91.6-86.4400108
875I28.4Very low26.8Very low159 Ų159145 Ų14582%0.81575%0.754SS**  trans-143.9127.7168.2-57.1-178.4000110.3
876K25.1Very low26.7Very low191 Ų191145.7 Ų145.783%0.8376%0.758SS**  trans-151.1154.4159.6-90-168.1176-179.30109.7
877K25.2Very low26.6Very low199 Ų199146.8 Ų146.887%0.86576%0.759SS**  trans73.9144.2179.8-49.5174.1-178-179.10113.9
878S24.5Very low26.5Very low104 Ų104146.1 Ų146.173%0.72776%0.76SS**  cis-162-175.2-24.1-720000106.1
879T25.4Very low26.5Very low126 Ų126147.3 Ų147.377%0.77376%0.764SS**  cis-161.3169.98.7-25.10000110.2
880S24Very low26.9Very low93 Ų93145.3 Ų145.365%0.6577%0.765SS**  trans81117.2144.2-64.40000123.9
881I23.5Very low26.7Very low151 Ų151147.7 Ų147.777%0.77478%0.776SS**  66.5108.3129.9-53.8166.6000119.7
882L28.5Very low26.4Very low169 Ų169147 Ų14789%0.88578%0.78SS**  -158.4156.1115.7-112.5173.1000111.2
883Q24.5Very low26.7Very low166 Ų166144.2 Ų144.278%0.77678%0.776SS**  trans-118.2145.3-177.2-63.6171.3-84.700112.2
884M25.6Very low26.2Very low185 Ų185145.2 Ų145.291%0.91178%0.781SS**  trans-168.3110.6145.7-104.6179.5179.500106.7
885T25.5Very low26.5Very low100 Ų100144.8 Ų144.861%0.61378%0.783SS**  cis7388.647.573.90000115.9
886T27.1Very low26.2Very low133 Ų133144.3 Ų144.382%0.81678%0.782SS**  trans-161.8104.4145.3-70.10000105
887I25.5Very low26.1Very low142 Ų142140.6 Ų140.673%0.72878%0.775SS**  87.3141.558.5-64.5164.9000111.8
888M29.2Very low26.4Very low163 Ų163137.7 Ų137.780%0.80378%0.775SS**  trans80.3133.6-176.3-51-15576.200116.3
889T29.1Very low26.4Very low116 Ų116140 Ų14071%0.71278%0.779SS**  cis-175.9144.7-34.414.50000106.8
890P35.7Very low26.5Very low116 Ų116139.1 Ų139.175%0.75378%0.784SS**  trans-86.6151168.735.6-32.6000111.5
891E26.1Very low26.4Very low197 Ų197140.7 Ų140.792%0.92179%0.79SS**  trans-164.9174141.7-121171.7-140.300114.2
892T23.7Very low26.6Very low113 Ų113140.8 Ų140.869%0.69379%0.79SS**  trans-92.5158.8-158.457.30000115.6
893T27.3Very low26.5Very low131 Ų131140.4 Ų140.480%0.80478%0.784SS**  trans-173.695.1144.614.10000109.2
894T22.9Very low26.4Very low118 Ų118137.7 Ų137.772%0.72478%0.778SS**  5292.289.862.80000116.4
895I28.7Very low26.6Very low168 Ų168135.2 Ų135.286%0.86277%0.774SS**  trans-133.1127.6137.4-56.2-178.3000107.6
896N23.1Very low26.6Very low150 Ų150136.5 Ų136.580%0.80278%0.776SS**  trans-125.4165173.2-125.5-14.9000108.5
897T23.9Very low26.6Very low112 Ų112137.5 Ų137.569%0.68778%0.776SS**  trans74.2112.9165-41.30000117.6
898T29.7Very low26.6Very low139 Ų139137.1 Ų137.185%0.85377%0.774SS**  -165.1149.2109.515.30000113.1
899N24.5Very low26.6Very low153 Ų153135.6 Ų135.682%0.81877%0.774SS**  trans-78.2152.5-172.5-48.5-38.5000112.5
900A29.2Very low26.6Very low106 Ų106135.6 Ų135.688%0.87678%0.779SS**  trans-150.456.3167.400000114.4
901T21.2Very low26.4Very low126 Ų126136 Ų13677%0.77378%0.782SS**  trans-125.1127.9156.646.30000109
902I27Very low26.6Very low154 Ų154132.7 Ų132.779%0.7978%0.78SS**  trans168.3119.6146-90.6159000112.9
903H27.1Very low26.8Very low160 Ų160132 Ų13274%0.74179%0.786SS**  trans67.1102.8142.4-70-125.2000124.5
904T23.2Very low26.7Very low109 Ų109132.6 Ų132.667%0.66978%0.783SS**  37.6125117.936.30000123.7
905T28.2Very low26.9Very low134 Ų134133.8 Ų133.882%0.82279%0.79SS**  -165.8107.3126.411.50000108.9
906I26Very low26.7Very low127 Ų127131.4 Ų131.465%0.65178%0.783SS**  73.5101.586.1-64.7172.6000115.2I908I906-I908 HydrophobicContact CG2-CD1 3.54Å; I906-I908 HydrophobicContact CG2-CG1 3.98Å
907N26.9Very low26.8Very low154 Ų154129.2 Ų129.282%0.82479%0.787SS**  trans-170.9100.3141.8-111.2-11.2000106.1
908I25.4Very low26.6Very low133 Ų133131.5 Ų131.568%0.68279%0.793SS**  62.895.565.1-51.4175.4000113.2I906I906-I908 HydrophobicContact CG2-CD1 3.54Å; I906-I908 HydrophobicContact CG2-CG1 3.98Å
909T30.7Very low26.5Very low131 Ų131130.8 Ų130.880%0.80479%0.788SS**  trans-157.1130.1130.523.70000110.4
910S28.5Very low26.5Very low117 Ų117131.5 Ų131.582%0.81879%0.786SS**  trans66.999.6157.7-50.80000120.2
911P31.2Very low26.1Very low125 Ų125137.2 Ų137.281%0.81279%0.785SS**  trans-134.3141.3135.437.3-26.8000114.3
912S29.3Very low26.3Very low126 Ų126135 Ų13588%0.88179%0.787SS**  trans-171155.3163.3-84.90000108.7
913A29.7Very low26.1Very low98 Ų98135.7 Ų135.781%0.8179%0.787SS**  cis-128.2165.218.800000114.5
914I24.6Very low26.2Very low144 Ų144134.4 Ų134.474%0.73879%0.79SS**  trans-102.3146.4176.3-63.9159.8000108.9T916I914-T916 HydrophobicContact CG2-CG2 4.29Å
915T26.7Very low26.1Very low144 Ų144135.3 Ų135.388%0.88379%0.791SS**  trans-150127.8140.9-71.70000109.1
916T25.2Very low25.9Very low117 Ų117137.8 Ų137.872%0.71879%0.79SS**  trans-92.5152.3-18044.30000111.7I914I914-T916 HydrophobicContact CG2-CG2 4.29Å
917A24.3Very low25.8Very low105 Ų105140.8 Ų140.887%0.86880%0.801SS**  trans-145.4104157.100000109.8
918I20.8Very low25.6Very low159 Ų159141.4 Ų141.482%0.81580%0.8SS**  trans-125.9131.7166.7-64.4172.4000105.6
919V26.2Very low25.7Very low124 Ų124142.6 Ų142.675%0.75281%0.806SS**  trans-168.6131.8147.5130.30000112.6
920Q25.7Very low25.4Very low168 Ų168140.9 Ų140.979%0.78580%0.799SS**  trans45.2113154.9-62.2173.8-71.400123.1
921R20.1Very low25.3Very low227 Ų227141.5 Ų141.586%0.85780%0.8SS**  25.3133.9116.5-69.1-172.6176.3-141.44.1119.8E923R921-E923 IonicContact NH1-OE2 3.98Å
922G25Very low25Very low79 Ų79138.4 Ų138.481%0.81479%0.791SS**  trans-155.4113.7146.100000111.3
923E23.9Very low24.9Very low169 Ų169139.8 Ų139.879%0.7979%0.787SS**  trans-98.9117.7174.9-67.8171.210100110.2R921R921-E923 IonicContact NH1-OE2 3.98Å
924V28.3Very low24.7Very low132 Ų132143.7 Ų143.780%0.879%0.791SS**  trans-144.6111.7162.4-175.40000111.3
925N22.4Very low24.9Very low128 Ų128142 Ų14268%0.68479%0.787SS**  trans32.1117.7152.9-66.6-52.3000122.3
926K22.8Very low24.8Very low186 Ų186142.9 Ų142.981%0.80978%0.775SS**  46.1116.5120.8-55.8178.2-176.4-176.20119.3
927Q25.3Very low25Very low190 Ų190142.9 Ų142.989%0.88878%0.775SS**  -148.3135.4121.8-127.2166.6-4.600111.5
928E21.2Very low25.1Very low168 Ų168144.9 Ų144.979%0.78577%0.771SS**  trans-81.2134.7171.1-61.6170.2127.300108.4
929I27.3Very low25.3Very low158 Ų158146.7 Ų146.781%0.8178%0.776SS**  trans-128.9125169.3-59.6-178.7000107.8
930S25.2Very low25.3Very low95 Ų95148.2 Ų148.266%0.66478%0.775SS**  trans-75.9144.4179.9-173.80000111.1G932S930-G932 PolarHBondContact O-N 2.98Å
931P27Very low25.5Very low129 Ų129148.2 Ų148.284%0.83877%0.774SS**SBendtrans-67.7120.9156.630.3-30.9000108
932G23.9Very low25.7Very low61 Ų61141.2 Ų141.263%0.62977%0.773SS**  trans171.2148.4-17800000111.7S930S930-G932 PolarHBondContact O-N 2.98Å
933I27.2Very low26Very low155 Ų155144.1 Ų144.180%0.79578%0.775SS**  trans69.888.4-170.6-46.7168.9000112.5V935I933-V935 HydrophobicContact CG2-CG2 3.89Å
934M26.6Very low25.8Very low180 Ų180143.7 Ų143.789%0.88778%0.778SS**PPolyproline II helixtrans-75.6143.2142.3-81.9-69.8-75.400108.2
935V27.3Very low25.8Very low108 Ų108144.3 Ų144.366%0.65578%0.782SS**PPolyproline II helixtrans-103122.3-174.9176.90000109.8I933 V937I933-V935 HydrophobicContact CG2-CG2 3.89Å; V935-V937 HydrophobicContact CG1-CG2 4.09Å
936Y25.3Very low25.9Very low162 Ų162143.1 Ų143.164%0.63578%0.784SS**PPolyproline II helixtrans-73.8135.9162.4-72.1-84.6000109.8N1171Y936-N1171 WeakPolarHBondContact OH-CB 2.96Å; Y936-N1171 PolarHBondContact OH-ND2 3.28Å
937V29.3Very low26Very low118 Ų118141.8 Ų141.872%0.71578%0.782SS**  trans-126.5103.8168.5-1790000106.7V935 E939V935-V937 HydrophobicContact CG1-CG2 4.09Å; V937-E939 PolarHBondContact O-N 3.39Å
938D26.6Very low26Very low147 Ų147139 Ų13979%0.78677%0.774SS**  trans-70.7123.5171.7-66.2-45.1000109.5E940D938-E940 VanDerWaalsContact C-N 3.28Å; D938-E940 PolarHBondContact O-N 3.39Å
939E25.8Very low26.3Very low196 Ų196137.7 Ų137.792%0.91677%0.772SS**  trans-81.964.5178-71.2-155.9139.200112.7V937V937-E939 PolarHBondContact O-N 3.39Å
940E25.9Very low26.2Very low157 Ų157135.2 Ų135.273%0.73477%0.768SS**  trans-127.7152.1160.9-68.6-151.5147.100112.9D938D938-E940 VanDerWaalsContact C-N 3.28Å; D938-E940 PolarHBondContact O-N 3.39Å
941H29.6Very low26.3Very low167 Ų167136.2 Ų136.277%0.77378%0.776SS**  trans71.569.3174.5-53.885.7000117.4
942G24.3Very low26.3Very low81 Ų81135.9 Ų135.984%0.83578%0.775SS**  trans-75.4125.9168.700000114.4
943V29.8Very low26.4Very low140 Ų140138.3 Ų138.385%0.84877%0.774SS**  trans-138.7139.2166-173.20000110.5
944N21.3Very low26.5Very low159 Ų159141.2 Ų141.285%0.8578%0.776SS**  trans-65.6129.9178.3-76.4-69.7000113.6
945V26.8Very low26.7Very low146 Ų146139.3 Ų139.389%0.88577%0.768SS**  trans-136.7147.4145.3-178.40000108.5
946S24.5Very low26.8Very low103 Ų103142.4 Ų142.472%0.7278%0.775SS**  trans-122.4162.7-175.1-164.50000112.5
947M25Very low27.1Very low157 Ų157143.2 Ų143.277%0.77378%0.777SS**  trans75.3124.2164.9-72-174.316900120.6
948N25.8Very low27.1Very low133 Ų133144.7 Ų144.771%0.71178%0.776SS**  trans67124.7145.5-52.2-19.1000117.5
949N28.4Very low27.1Very low139 Ų139142.7 Ų142.774%0.74377%0.769SS**  cis-152.6123.945-117.4-31.2000115.2S951N949-S951 PolarHBondContact O-N 3.08Å
950S24.5Very low27.1Very low106 Ų106143 Ų14374%0.74177%0.768SS**  49.354.5117.7-48.20000120.9
951S27.2Very low27Very low117 Ų117139.8 Ų139.882%0.81876%0.762SS**  trans-153.644.4159-160.30000116.6N949N949-S951 PolarHBondContact O-N 3.08Å
952C26.5Very low27Very low122 Ų122139.1 Ų139.182%0.82476%0.763SS**  trans-148.973.8170-1470000112.1
953N26.5Very low27.1Very low112 Ų112143.1 Ų143.160%0.59976%0.764SS**  trans-139.422.7-172.7-137.8-72.8000114R957N953-R957 PolarHBondContact O-NH1 3.25Å; N953-R957 PolarHBondContact OD1-NH1 2.91Å; N953-R957 PolarHBondContact OD1-NH2 2.74Å
954Y29.5Very low27Very low216 Ų216148.2 Ų148.285%0.84777%0.768SS**SBendtrans-115.8-26.2-175-165.5-111.7000114.5
955I31.1Very low27.3Very low140 Ų140151 Ų15172%0.71877%0.773SS**SBendtrans-89.6-31.4-176.1-61.8178.5000112.2R957I955-R957 PolarHBondContact O-N 2.9Å
956E28.5Very low27.4Very low172 Ų172149.8 Ų149.880%0.80477%0.77SS**THydrogen-bonded Turntrans-703.5-176.3-143.4-163.2154.300115.3
957R31.1Very low27.6Very low180 Ų180154.4 Ų154.468%0.67978%0.777SS**THydrogen-bonded Turntrans-104.2-4.9-177.6-74.1-166.8178.385.87.2116N953 I955N953-R957 PolarHBondContact O-NH1 3.25Å; N953-R957 PolarHBondContact OD1-NH1 2.91Å; N953-R957 PolarHBondContact OD1-NH2 2.74Å; I955-R957 PolarHBondContact O-N 2.9Å
958Q30.2Very low27.8Very low148 Ų148152.3 Ų152.369%0.69278%0.778SS**SBendtrans-100.8-27-176.4-74.2-68.5-100115.4K960Q958-K960 VanDerWaalsContact C-N 3.28Å; Q958-K960 PolarHBondContact O-N 2.75Å; Q958-K960 VanDerWaalsContact O-N 3.1Å
959V26.3Very low28Very low105 Ų105151 Ų15164%0.63678%0.779SS**THydrogen-bonded Turntrans-87.527.4-168.6-159.60000113.9M1221V959-M1221 HydrophobicContact CG1-SD 4.04Å
960K25.4Very low28.2Very low204 Ų204149.2 Ų149.289%0.88778%0.778SS**THydrogen-bonded Turntrans-140.926.4-176.7-86.4-179.1-179157.70115.8Q958Q958-K960 VanDerWaalsContact C-N 3.28Å; Q958-K960 PolarHBondContact O-N 2.75Å; Q958-K960 VanDerWaalsContact O-N 3.1Å
961S25Very low28.5Very low89 Ų89149 Ų14962%0.62278%0.777SS**SBendtrans-120.1-12.1-173.767.30000118.1
962I29.2Very low28.9Very low153 Ų153149.5 Ų149.579%0.78578%0.777SS**SBendtrans-127.167.2-174-42.4-177.4000113.8
963L26.8Very low29.2Very low164 Ų164149.8 Ų149.886%0.85978%0.777SS**  trans-171.874.6135.4-130.270.8000113.3
964R26.4Very low29.2Very low248 Ų248150.7 Ų150.794%0.93679%0.787SS**  trans-144.694.3165.4-87.1-164.5174.6169.5-0.8114.5
965K28.7Very low29.3Very low217 Ų217144.9 Ų144.994%0.94378%0.778SS**  trans-133.4143138.6-74.7-179.8-180171.80106
966S29.7Very low29.4Very low120 Ų120143.5 Ų143.584%0.83977%0.767SS**  cis-115.2174.913.650.30000114.4
967K28.3Very low29.4Very low200 Ų200141 Ų14187%0.8776%0.755SS**  trans-74.2156.4175.3-73.6176.7178.21790109.9
968S28.9Very low29.3Very low113 Ų113135.1 Ų135.179%0.7974%0.742SS**  -160.6172.759.7560000117
969S29.3Very low29.3Very low105 Ų105132.7 Ų132.773%0.73474%0.741SS**  trans-36.1156.4172.934.50000117.9
970S32.8Very low29.4Very low102 Ų102132.6 Ų132.671%0.71375%0.745SS**  cis-168.1154.8238.10000113.5
971S30.4Very low29.7Very low103 Ų103129.9 Ų129.972%0.7274%0.739SS**  trans52.2122.8150.657.40000120.7
972P37.1Very low30Very low126 Ų126132.7 Ų132.782%0.81875%0.748SS**  trans-87.1159.9169.337.3-34.8000112.7
973P32.3Very low30.1Very low128 Ų128129 Ų12983%0.83175%0.747SS**  trans-112.2147153.336-27.4000111.8
974T26.2Very low30.5Very low132 Ų132128.2 Ų128.281%0.8174%0.742SS**  trans-93.5153.5174.933.10000112.8
975S32.1Very low30.8Very low94 Ų94122.4 Ų122.466%0.65774%0.735SS**  trans87.5145.7150.486.70000120.2
976K32.9Very low30.9Very low111 Ų111119.8 Ų119.848%0.48373%0.726SS.*  trans8766.3153-57.5-176.4-178.8-145.40121.9S566 T567S566-K976 VanDerWaalsContact CB-CD 3.48Å; S566-K976 WeakPolarHBondContact OG-CD 3.27Å; S566-K976 WeakPolarHBondContact OG-CE 3.44Å; S566-K976 PolarHBondContact OG-NZ 3.41Å; T567-K976 HydrophobicContact CG2-CG 4.32Å; T567-K976 VanDerWaalsContact OG1-CE 3.29Å; T567-K976 WeakPolarHBondContact OG1-CE 3.3Å; T567-K976 PolarHBondContact OG1-NZ 2.92Å
977Q29.2Very low30.9Very low119 Ų119119.7 Ų119.756%0.55672%0.72SS**  82146.5111.3-136.9144.7-37.100123.7P565 S566P565-Q977 HydrophobicContact CB-CB 3.48Å; P565-Q977 VanDerWaalsContact CB-CB 3.48Å; P565-Q977 VanDerWaalsContact CB-CD 3.48Å; P565-Q977 HydrophobicContact CB-CG 3.61Å; P565-Q977 HydrophobicContact CG-CB 3.98Å; S566-Q977 VanDerWaalsContact CA-OE1 3.31Å
978S28.1Very low31Very low56 Ų56116.3 Ų116.339%0.39272%0.716SS.*  trans65.7101.3146.749.70000122.1
979S29.4Very low31Very low97 Ų97120.5 Ų120.568%0.67872%0.723SS**  69.2115.812366.20000122.6
980S29.2Very low30.8Very low104 Ų104120.7 Ų120.773%0.72773%0.725SS**  108.6112.1124-162.30000120.3
981L31.1Very low30.5Very low146 Ų146123.3 Ų123.376%0.76473%0.73SS**  trans68.2110.2149-93.365.3000122.2
982D31.4Very low30.6Very low148 Ų148125.4 Ų125.479%0.79174%0.739SS**  59.889.6116.2-58.65.3000122.7
983G30.9Very low30.2Very low75 Ų75124.3 Ų124.377%0.77373%0.734SS**  76.2168.6127.400000120.1
984I35.2Very low30.3Very low148 Ų148124.1 Ų124.176%0.75974%0.736SS**  cis-148.4138-13.2-50.2175.8000108
985T34.6Very low30.7Very low127 Ų127122.8 Ų122.878%0.77973%0.732SS**  trans167.4117.4143.328.40000107.5
986E30.2Very low30.9Very low162 Ų162121.7 Ų121.776%0.75774%0.735SS**  60.7123.774.8-70-170.9-157.100113
987T28.4Very low31.4Very low117 Ų117125 Ų12572%0.71875%0.753SS**  cis-153.4149.89.417.80000111
988T30.4Very low32Very low129 Ų129124.2 Ų124.279%0.79176%0.76SS**SBendtrans152.465.4146.244.70000114.5
989Q29.9Very low33.1Very low201 Ų201127.4 Ų127.494%0.93977%0.773SS**  trans-172.8123148.4-107.1147.898.200109.9
990S24.5Very low34.5Very low109 Ų109126.9 Ų126.976%0.76277%0.769SS**  trans-158.3167.8175.7-171.70000110.1
991L27.5Very low36.5Very low157 Ų157127 Ų12782%0.82277%0.766SS**SBendtrans79.735.9172.3-49.4-179.9000118.5
992T31.8Very low38.6Very low148 Ų148130.1 Ų130.191%0.90877%0.767SS**SBendtrans-133.340154.763.20000113.5
993S29.3Very low40.9Very low102 Ų102128.5 Ų128.571%0.71375%0.753SS**  trans-151.164.1175.363.80000112.4S995S993-S995 PolarHBondContact O-N 3.42Å
994S33.6Very low43.7Very low125 Ų125130.8 Ų130.887%0.87474%0.743SS**  trans-72.678.4165.757.20000109.6G996S994-G996 VanDerWaalsContact C-N 3.3Å; S994-G996 PolarHBondContact O-N 3.27Å
995S35.3Very low46.3Very low103 Ų103125.4 Ų125.472%0.7272%0.718SS**  trans-65.191.4170.354.60000108.8S993 Q997S993-S995 PolarHBondContact O-N 3.42Å; S995-Q997 PolarHBondContact O-N 2.75Å
996G37Very low49.1Very low71 Ų71120 Ų12073%0.73268%0.684SS**  trans-59.9108.6177.500000109.7S994 S998S994-G996 VanDerWaalsContact C-N 3.3Å; S994-G996 PolarHBondContact O-N 3.27Å; G996-S998 PolarHBondContact O-N 3.47Å
997Q41.4Very low52Low182 Ų182113.4 Ų113.485%0.8566%0.658SS**  trans-69.480.3168.8-73172-55.600108S995 N999S995-Q997 PolarHBondContact O-N 2.75Å; Q997-N999 PolarHBondContact O-N 2.78Å; Q997-N999 PolarHBondContact O-OD1 3.33Å
998S43Very low55.2Low101 Ų101109.8 Ų109.871%0.70663%0.634SS**  trans-64117.7164.3-1740000107.2G996 S1000G996-S998 PolarHBondContact O-N 3.47Å; S998-S1000 PolarHBondContact O-N 2.83Å
999N51.2Low58.3Low123 Ų123103.7 Ų103.766%0.65860%0.596SS**  trans-70.466.2169.7-63.412.2000108.9Q997 V1001Q997-N999 PolarHBondContact O-N 2.78Å; Q997-N999 PolarHBondContact O-OD1 3.33Å; N999-V1001 PolarHBondContact O-N 2.9Å; N999-V1001 VanDerWaalsContact O-N 3.1Å
1000S58.6Low61.4Low87 Ų8794.8 Ų94.861%0.60856%0.555SS**  trans-76.694.4177.9-169.40000108.1S998 R1002S998-S1000 PolarHBondContact O-N 2.83Å; S1000-R1002 PolarHBondContact O-N 3.19Å
1001V71.3Confident64.7Low107 Ų10792.7 Ų92.765%0.64854%0.535SS*.  trans-52.4133.1164.2-177.70000107.7N999N999-V1001 PolarHBondContact O-N 2.9Å; N999-V1001 VanDerWaalsContact O-N 3.1Å
1002R74.2Confident67.9Low210 Ų21085.4 Ų85.479%0.79250%0.498SS*.  trans-118.9135.9169.3-72-170.9176.2-160.2-1.4107.8S1000S1000-R1002 PolarHBondContact O-N 3.19Å
1003F80.7Confident71Confident114 Ų11478.4 Ų78.450%0.546%0.455SS..  trans-78.1163.5170.9-61.9-76.1000110.4I699 L1008I699-F1003 HydrophobicContact CD1-CZ 3.8Å; F1003-L1008 HydrophobicContact CB-CB 4.48Å
1004H88.6Confident74.1Confident123 Ų12375 Ų7557%0.56943%0.428SS*.  trans-65.6133.1167.2-164.1-101.4000108.7L1006 A1007 L1008H1004-L1006 VanDerWaalsContact C-N 3.28Å; H1004-L1006 PolarHBondContact O-N 2.73Å; H1004-A1007 HydrophobicContact CB-CB 4.12Å; H1004-A1007 PolarHBondContact O-N 3.45Å; H1004-L1008 PolarHBondContact O-N 2.86Å
1005P90.5Very high76.9Confident36 Ų3675.9 Ų75.923%0.23442%0.419CS..Hα-helixtrans-63.9-34.7-170.926.6-35.4000112L1008 L1009 E1027 V1028P1005-L1008 PolarHBondContact O-N 3.38Å; P1005-L1009 WeakPolarHBondContact O-CB 3.45Å; P1005-L1009 PolarHBondContact O-N 2.76Å; P1005-E1027 HydrophobicContact CB-CB 3.98Å; P1005-V1028 VanDerWaalsContact C-CG2 3.42Å; P1005-V1028 HydrophobicContact CB-CG2 3.73Å; P1005-V1028 HydrophobicContact CG-CG2 4.24Å
1006L92.7Very high79.7Confident12 Ų1272 Ų726%0.06340%0.395CS..Hα-helixtrans-63.7-42.1172.4178.663.7000112.8H1004 L1008 L1009 L1010 V1028 E1033 S1034H1004-L1006 VanDerWaalsContact C-N 3.28Å; H1004-L1006 PolarHBondContact O-N 2.73Å; L1006-L1008 VanDerWaalsContact C-N 3.31Å; L1006-L1008 PolarHBondContact O-N 3.39Å; L1006-L1009 WeakPolarHBondContact O-CB 3.38Å; L1006-L1009 PolarHBondContact O-N 3.45Å; L1006-L1010 HydrophobicContact CD1-CD1 4.23Å; L1006-L1010 HydrophobicContact CD1-CG 4.22Å; L1006-L1010 HydrophobicContact CD2-CD1 4.48Å; L1006-L1010 HydrophobicContact CG-CD1 3.9Å; L1006-L1010 HydrophobicContact CG-CG 4.37Å; L1006-L1010 WeakPolarHBondContact O-CB 3.47Å; L1006-L1010 VanDerWaalsContact O-CG 3.31Å; L1006-L1010 WeakPolarHBondContact O-CG 3.5Å; L1006-L1010 PolarHBondContact O-N 3.37Å; L1006-V1028 HydrophobicContact CB-CG2 4.43Å; L1006-E1033 HydrophobicContact CD1-CB 4Å; L1006-E1033 HydrophobicContact CD1-CG 4.45Å; L1006-E1033 WeakPolarHBondContact CD1-O 2.9Å; L1006-E1033 HydrophobicContact CD2-CB 4.14Å; L1006-E1033 HydrophobicContact CD2-CG 3.65Å; L1006-S1034 WeakPolarHBondContact CD2-O 3.5Å
1007A92.8Very high82.4Confident24 Ų2472.2 Ų72.220%0.19838%0.379CS..Hα-helixtrans-65.1-40.3178.400000110.7H1004 L1009 L1010 D1011H1004-A1007 HydrophobicContact CB-CB 4.12Å; H1004-A1007 PolarHBondContact O-N 3.45Å; A1007-L1009 VanDerWaalsContact C-N 3.34Å; A1007-L1009 PolarHBondContact O-N 3.21Å; A1007-L1010 PolarHBondContact O-N 2.8Å; A1007-D1011 WeakPolarHBondContact O-CB 3.48Å; A1007-D1011 VanDerWaalsContact O-CG 3.23Å; A1007-D1011 PolarHBondContact O-N 3.08Å
1008L94.2Very high84.9Confident42 Ų4265.3 Ų65.322%0.2235%0.348CS..Hα-helixtrans-63-39.1173.9-173.165.2000112.2F1003 H1004 P1005 L1006 A1012 L1020 A1024F1003-L1008 HydrophobicContact CB-CB 4.48Å; H1004-L1008 PolarHBondContact O-N 2.86Å; P1005-L1008 PolarHBondContact O-N 3.38Å; L1006-L1008 VanDerWaalsContact C-N 3.31Å; L1006-L1008 PolarHBondContact O-N 3.39Å; L1008-A1012 WeakPolarHBondContact O-CB 3.41Å; L1008-A1012 PolarHBondContact O-N 3.05Å; L1008-L1020 HydrophobicContact CD1-CD1 4.24Å; L1008-L1020 HydrophobicContact CD1-CD2 4.08Å; L1008-L1020 HydrophobicContact CD1-CG 4.39Å; L1008-L1020 HydrophobicContact CD2-CD1 4.12Å; L1008-L1020 HydrophobicContact CG-CD1 4.24Å; L1008-L1020 HydrophobicContact CG-CG 4.46Å; L1008-A1024 HydrophobicContact CD2-CB 4.38Å; L1008-A1024 HydrophobicContact CG-CB 4.28Å
1009L95.5Very high87.3Confident0 Ų066.4 Ų66.40%034%0.342CS..Hα-helixtrans-65.9-46.3175.8176.361.6000111.9P1005 L1006 A1007 A1013 V1021 A1024 A1025 V1028 V1031 A1041 L1057P1005-L1009 WeakPolarHBondContact O-CB 3.45Å; P1005-L1009 PolarHBondContact O-N 2.76Å; L1006-L1009 WeakPolarHBondContact O-CB 3.38Å; L1006-L1009 PolarHBondContact O-N 3.45Å; A1007-L1009 VanDerWaalsContact C-N 3.34Å; A1007-L1009 PolarHBondContact O-N 3.21Å; L1009-A1013 VanDerWaalsContact O-CB 3.22Å; L1009-A1013 WeakPolarHBondContact O-CB 3.31Å; L1009-A1013 PolarHBondContact O-N 2.97Å; L1009-V1021 HydrophobicContact CD1-CB 4.47Å; L1009-V1021 HydrophobicContact CD1-CG1 3.89Å; L1009-A1024 HydrophobicContact CB-CB 3.81Å; L1009-A1024 HydrophobicContact CD1-CB 4.22Å; L1009-A1025 HydrophobicContact CD1-CB 4.16Å; L1009-V1028 HydrophobicContact CB-CG2 4.38Å; L1009-V1028 HydrophobicContact CD2-CB 4.46Å; L1009-V1028 HydrophobicContact CD2-CG2 4.09Å; L1009-V1031 HydrophobicContact CD2-CG1 4.17Å; L1009-A1041 HydrophobicContact CD1-CB 4.3Å; L1009-A1041 HydrophobicContact CD2-CB 4.11Å; L1009-A1041 HydrophobicContact CG-CB 3.81Å; L1009-L1057 HydrophobicContact CD1-CD2 4.48Å
1010L95.4Very high89.3Confident14 Ų1463.2 Ų63.27%0.07332%0.324CS..Hα-helixtrans-61-48.6177-73.4164.5000111.9L1006 A1007 A1013 L1014 N1035 T1040 N1044L1006-L1010 HydrophobicContact CD1-CD1 4.23Å; L1006-L1010 HydrophobicContact CD1-CG 4.22Å; L1006-L1010 HydrophobicContact CD2-CD1 4.48Å; L1006-L1010 HydrophobicContact CG-CD1 3.9Å; L1006-L1010 HydrophobicContact CG-CG 4.37Å; L1006-L1010 WeakPolarHBondContact O-CB 3.47Å; L1006-L1010 VanDerWaalsContact O-CG 3.31Å; L1006-L1010 WeakPolarHBondContact O-CG 3.5Å; L1006-L1010 PolarHBondContact O-N 3.37Å; A1007-L1010 PolarHBondContact O-N 2.8Å; L1010-A1013 PolarHBondContact O-N 3.4Å; L1010-L1014 PolarHBondContact O-N 2.74Å; L1010-L1014 VanDerWaalsContact O-N 3.17Å; L1010-N1035 HydrophobicContact CD1-CB 3.96Å; L1010-T1040 VanDerWaalsContact CD2-C 3.44Å; L1010-N1044 PolarHBondContact O-ND2 3.45Å
1011D93.9Very high91.1Very high66 Ų6659 Ų5935%0.35330%0.295SS..Hα-helixtrans-67.3-42.3-179.3-67.6-19.2000110.9A1007 A1013 L1014 E1015A1007-D1011 WeakPolarHBondContact O-CB 3.48Å; A1007-D1011 VanDerWaalsContact O-CG 3.23Å; A1007-D1011 PolarHBondContact O-N 3.08Å; D1011-A1013 PolarHBondContact O-N 3.1Å; D1011-L1014 PolarHBondContact O-N 2.92Å; D1011-E1015 PolarHBondContact O-N 2.81Å
1012A95Very high92.2Very high4 Ų457.1 Ų57.13%0.03328%0.278CS..Hα-helixtrans-66.7-35.5177.800000113L1008 G1016 D1017 L1020 V1021L1008-A1012 WeakPolarHBondContact O-CB 3.41Å; L1008-A1012 PolarHBondContact O-N 3.05Å; A1012-G1016 PolarHBondContact O-N 3.5Å; A1012-D1017 PolarHBondContact O-N 3.24Å; A1012-D1017 VanDerWaalsContact O-N 3.14Å; A1012-L1020 HydrophobicContact CB-CB 4.05Å; A1012-L1020 HydrophobicContact CB-CD2 3.75Å; A1012-L1020 HydrophobicContact CB-CG 3.73Å; A1012-V1021 HydrophobicContact CB-CG2 3.74Å
1013A95.9Very high93.1Very high0 Ų052.5 Ų52.50%026%0.264CS..Hα-helixtrans-69.6-32.6176.400000112.6L1009 L1010 D1011 V1021 A1041 N1044 A1045 V1053L1009-A1013 VanDerWaalsContact O-CB 3.22Å; L1009-A1013 WeakPolarHBondContact O-CB 3.31Å; L1009-A1013 PolarHBondContact O-N 2.97Å; L1010-A1013 PolarHBondContact O-N 3.4Å; D1011-A1013 PolarHBondContact O-N 3.1Å; A1013-V1021 HydrophobicContact CB-CG2 4.09Å; A1013-A1041 HydrophobicContact CB-CB 4.19Å; A1013-A1041 WeakPolarHBondContact CB-O 3.41Å; A1013-N1044 HydrophobicContact CB-CB 4.37Å; A1013-A1045 HydrophobicContact CB-CB 4.4Å; A1013-A1045 WeakPolarHBondContact O-CA 3.2Å; A1013-V1053 HydrophobicContact CB-CG1 4.09Å
1014L94.5Very high93.6Very high30 Ų3047.1 Ų47.116%0.15724%0.241CC..Hα-helixtrans-70.8-45173.5-169.571.3000111.5L1010 D1011 N1044 A1048L1010-L1014 PolarHBondContact O-N 2.74Å; L1010-L1014 VanDerWaalsContact O-N 3.17Å; D1011-L1014 PolarHBondContact O-N 2.92Å; L1014-N1044 HydrophobicContact CB-CB 4Å; L1014-N1044 HydrophobicContact CD1-CB 4.05Å; L1014-A1048 HydrophobicContact CD1-CB 4.25Å; L1014-A1048 WeakPolarHBondContact O-CB 3.49Å
1015E93.6Very high93.8Very high144 Ų14442 Ų4267%0.67322%0.219SC*.Hα-helixtrans-69-35.6179.4-169.966-169.700111.8D1011 R1050D1011-E1015 PolarHBondContact O-N 2.81Å; E1015-R1050 VanDerWaalsContact O-CZ 3.29Å; E1015-R1050 PolarHBondContact O-NE 2.76Å; E1015-R1050 PolarHBondContact O-NH2 3.5Å
1016G92.7Very high93.7Very high21 Ų2144.5 Ų44.522%0.21624%0.238CC..THydrogen-bonded Turntrans98.218.8-177.100000115A1012 L1018A1012-G1016 PolarHBondContact O-N 3.5Å; G1016-L1018 PolarHBondContact O-N 2.89Å
1017D93.8Very high93.6Very high77 Ų7748.4 Ų48.441%0.41226%0.255SS..  trans-79.287.2175.3-174.7-17.8000110A1012 E1019 L1020 V1021A1012-D1017 PolarHBondContact O-N 3.24Å; A1012-D1017 VanDerWaalsContact O-N 3.14Å; D1017-E1019 PolarHBondContact O-N 3.27Å; D1017-E1019 PolarHBondContact OD1-N 2.86Å; D1017-L1020 HydrophobicContact CB-CB 3.83Å; D1017-L1020 PolarHBondContact O-N 3.17Å; D1017-L1020 PolarHBondContact OD1-N 2.93Å; D1017-L1020 WeakPolarHBondContact OD2-CB 3.21Å; D1017-V1021 WeakPolarHBondContact O-CG2 3.31Å; D1017-V1021 PolarHBondContact O-N 3Å
1018L94.8Very high93.4Very high37 Ų3748.1 Ų48.119%0.19425%0.252CS..Hα-helixtrans-56.1-32.9-179.3178.662.8000113.7G1016 K1022 D1052 V1053 F1056G1016-L1018 PolarHBondContact O-N 2.89Å; L1018-K1022 HydrophobicContact CG-CD 4.35Å; L1018-K1022 WeakPolarHBondContact O-CB 3.08Å; L1018-K1022 WeakPolarHBondContact O-CD 3.48Å; L1018-K1022 WeakPolarHBondContact O-CG 3.08Å; L1018-K1022 PolarHBondContact O-N 3.1Å; L1018-D1052 HydrophobicContact CD2-CB 4.33Å; L1018-V1053 HydrophobicContact CB-CG2 4.23Å; L1018-V1053 HydrophobicContact CD1-CG2 4.27Å; L1018-F1056 HydrophobicContact CD1-CB 3.7Å; L1018-F1056 HydrophobicContact CD1-CG 4.12Å
1019E94Very high92.9Very high124 Ų12452.7 Ų52.758%0.57928%0.281SS*.Hα-helixtrans-78-36.5179.3-66.5-59121.200111.5D1017 K1022 K1023D1017-E1019 PolarHBondContact O-N 3.27Å; D1017-E1019 PolarHBondContact OD1-N 2.86Å; E1019-K1022 WeakPolarHBondContact OE1-CD 3.28Å; E1019-K1022 IonicContact OE1-NZ 3.58Å; E1019-K1022 PolarHBondContact OE1-NZ 3.28Å; E1019-K1023 WeakPolarHBondContact O-CB 3.05Å; E1019-K1023 PolarHBondContact O-N 2.93Å; E1019-K1023 VanDerWaalsContact O-N 3.1Å
1020L93.4Very high92.5Very high55 Ų5556.9 Ų56.929%0.28830%0.304SS..Hα-helixtrans-68.4-37.9170.7-173.559.7000111.9L1008 A1012 D1017 K1023 A1024L1008-L1020 HydrophobicContact CD1-CD1 4.24Å; L1008-L1020 HydrophobicContact CD1-CD2 4.08Å; L1008-L1020 HydrophobicContact CD1-CG 4.39Å; L1008-L1020 HydrophobicContact CD2-CD1 4.12Å; L1008-L1020 HydrophobicContact CG-CD1 4.24Å; L1008-L1020 HydrophobicContact CG-CG 4.46Å; A1012-L1020 HydrophobicContact CB-CB 4.05Å; A1012-L1020 HydrophobicContact CB-CD2 3.75Å; A1012-L1020 HydrophobicContact CB-CG 3.73Å; D1017-L1020 HydrophobicContact CB-CB 3.83Å; D1017-L1020 PolarHBondContact O-N 3.17Å; D1017-L1020 PolarHBondContact OD1-N 2.93Å; D1017-L1020 WeakPolarHBondContact OD2-CB 3.21Å; L1020-K1023 PolarHBondContact O-N 3.06Å; L1020-A1024 VanDerWaalsContact O-CB 3.28Å; L1020-A1024 WeakPolarHBondContact O-CB 3.15Å; L1020-A1024 PolarHBondContact O-N 3.05Å
1021V95.2Very high92.3Very high0 Ų056.9 Ų56.90%030%0.304CS..Hα-helixtrans-60.8-51.9172.2167.70000110.9L1009 A1012 A1013 D1017 K1023 A1024 A1025 V1053 F1056 L1057L1009-V1021 HydrophobicContact CD1-CB 4.47Å; L1009-V1021 HydrophobicContact CD1-CG1 3.89Å; A1012-V1021 HydrophobicContact CB-CG2 3.74Å; A1013-V1021 HydrophobicContact CB-CG2 4.09Å; D1017-V1021 WeakPolarHBondContact O-CG2 3.31Å; D1017-V1021 PolarHBondContact O-N 3Å; V1021-K1023 PolarHBondContact O-N 2.69Å; V1021-A1024 PolarHBondContact O-N 2.67Å; V1021-A1025 VanDerWaalsContact O-CB 3.23Å; V1021-A1025 WeakPolarHBondContact O-CB 3.44Å; V1021-A1025 PolarHBondContact O-N 3.06Å; V1021-V1053 HydrophobicContact CG1-CG1 4.18Å; V1021-V1053 HydrophobicContact CG2-CG1 4.02Å; V1021-F1056 HydrophobicContact CG1-CD1 3.82Å; V1021-F1056 HydrophobicContact CG1-CE1 3.99Å; V1021-L1057 HydrophobicContact CG1-CD2 4.04Å; V1021-L1057 HydrophobicContact CG1-CG 4.44Å
1022K94.4Very high92.3Very high66 Ų6655 Ų5529%0.28730%0.296SS..Hα-helixtrans-52.4-43.8176.1-78163.1-172.7165.80111.8L1018 E1019 S1026 F1056L1018-K1022 HydrophobicContact CG-CD 4.35Å; L1018-K1022 WeakPolarHBondContact O-CB 3.08Å; L1018-K1022 WeakPolarHBondContact O-CD 3.48Å; L1018-K1022 WeakPolarHBondContact O-CG 3.08Å; L1018-K1022 PolarHBondContact O-N 3.1Å; E1019-K1022 WeakPolarHBondContact OE1-CD 3.28Å; E1019-K1022 IonicContact OE1-NZ 3.58Å; E1019-K1022 PolarHBondContact OE1-NZ 3.28Å; K1022-S1026 PolarHBondContact O-N 2.76Å; K1022-F1056 HydrophobicContact CB-CE1 4.47Å; K1022-F1056 HydrophobicContact CB-CZ 4.17Å; K1022-F1056 HydrophobicContact CG-CD1 4.24Å; K1022-F1056 HydrophobicContact CG-CD2 3.92Å; K1022-F1056 HydrophobicContact CG-CE1 3.96Å; K1022-F1056 HydrophobicContact CG-CE2 3.62Å; K1022-F1056 HydrophobicContact CG-CG 4.23Å; K1022-F1056 HydrophobicContact CG-CZ 3.65Å
1023K92.8Very high92.1Very high114 Ų11458.5 Ų58.550%0.49631%0.312SS..Hα-helixtrans-69.3-49.5178.9-170.3-170.6172.1-143.80112E1019 L1020 V1021 A1025 S1026 E1027E1019-K1023 WeakPolarHBondContact O-CB 3.05Å; E1019-K1023 PolarHBondContact O-N 2.93Å; E1019-K1023 VanDerWaalsContact O-N 3.1Å; L1020-K1023 PolarHBondContact O-N 3.06Å; V1021-K1023 PolarHBondContact O-N 2.69Å; K1023-A1025 PolarHBondContact O-N 3.35Å; K1023-S1026 WeakPolarHBondContact O-CB 3.15Å; K1023-S1026 PolarHBondContact O-N 3.07Å; K1023-S1026 PolarHBondContact O-OG 3.42Å; K1023-E1027 WeakPolarHBondContact CE-OE1 3.43Å; K1023-E1027 IonicContact NZ-OE1 3.41Å; K1023-E1027 PolarHBondContact NZ-OE1 2.7Å; K1023-E1027 PolarHBondContact O-N 2.76Å
1024A92.4Very high91.9Very high1 Ų161.2 Ų61.21%0.00833%0.331CS..Hα-helixtrans-63.4-41-178.800000111.5L1008 L1009 L1020 V1021 S1026 E1027 V1028L1008-A1024 HydrophobicContact CD2-CB 4.38Å; L1008-A1024 HydrophobicContact CG-CB 4.28Å; L1009-A1024 HydrophobicContact CB-CB 3.81Å; L1009-A1024 HydrophobicContact CD1-CB 4.22Å; L1020-A1024 VanDerWaalsContact O-CB 3.28Å; L1020-A1024 WeakPolarHBondContact O-CB 3.15Å; L1020-A1024 PolarHBondContact O-N 3.05Å; V1021-A1024 PolarHBondContact O-N 2.67Å; A1024-S1026 PolarHBondContact O-N 3.08Å; A1024-E1027 CarbonylContact O-C 3.53Å; A1024-E1027 WeakPolarHBondContact O-CA 3.36Å; A1024-E1027 PolarHBondContact O-N 3.43Å; A1024-V1028 WeakPolarHBondContact O-CG2 3.41Å; A1024-V1028 PolarHBondContact O-N 2.89Å; A1024-V1028 VanDerWaalsContact O-N 3.08Å
1025A91.2Very high91.8Very high14 Ų1461.9 Ų61.912%0.11634%0.335CS..Hα-helixtrans-59.4-27.2172.800000113.2L1009 V1021 K1023 V1031 F1056L1009-A1025 HydrophobicContact CD1-CB 4.16Å; V1021-A1025 VanDerWaalsContact O-CB 3.23Å; V1021-A1025 WeakPolarHBondContact O-CB 3.44Å; V1021-A1025 PolarHBondContact O-N 3.06Å; K1023-A1025 PolarHBondContact O-N 3.35Å; A1025-V1031 HydrophobicContact CB-CG2 3.89Å; A1025-F1056 HydrophobicContact CB-CE1 4.11Å
1026S89.9Confident91.7Very high89 Ų8963.2 Ų63.262%0.62235%0.346SS*.THydrogen-bonded Turntrans-82.7-8.7172.477.80000114.7K1022 K1023 A1024K1022-S1026 PolarHBondContact O-N 2.76Å; K1023-S1026 WeakPolarHBondContact O-CB 3.15Å; K1023-S1026 PolarHBondContact O-N 3.07Å; K1023-S1026 PolarHBondContact O-OG 3.42Å; A1024-S1026 PolarHBondContact O-N 3.08Å
1027E89.6Confident91.7Very high94 Ų9465.5 Ų65.544%0.43935%0.351SS..THydrogen-bonded Turntrans-105.6-8.9175.8-65.6-173-149.100112.9P1005 K1023 A1024P1005-E1027 HydrophobicContact CB-CB 3.98Å; K1023-E1027 WeakPolarHBondContact CE-OE1 3.43Å; K1023-E1027 IonicContact NZ-OE1 3.41Å; K1023-E1027 PolarHBondContact NZ-OE1 2.7Å; K1023-E1027 PolarHBondContact O-N 2.76Å; A1024-E1027 CarbonylContact O-C 3.53Å; A1024-E1027 WeakPolarHBondContact O-CA 3.36Å; A1024-E1027 PolarHBondContact O-N 3.43Å
1028V88.9Confident91.7Very high19 Ų1962.4 Ų62.412%0.11534%0.338CS..SBendtrans-97.2150.8176.6177.80000110.9P1005 L1006 L1009 A1024 D1030P1005-V1028 VanDerWaalsContact C-CG2 3.42Å; P1005-V1028 HydrophobicContact CB-CG2 3.73Å; P1005-V1028 HydrophobicContact CG-CG2 4.24Å; L1006-V1028 HydrophobicContact CB-CG2 4.43Å; L1009-V1028 HydrophobicContact CB-CG2 4.38Å; L1009-V1028 HydrophobicContact CD2-CB 4.46Å; L1009-V1028 HydrophobicContact CD2-CG2 4.09Å; A1024-V1028 WeakPolarHBondContact O-CG2 3.41Å; A1024-V1028 PolarHBondContact O-N 2.89Å; A1024-V1028 VanDerWaalsContact O-N 3.08Å; V1028-D1030 WeakPolarHBondContact CG1-O 3.25Å
1029T84.9Confident91.7Very high138 Ų13861 Ų6185%0.84733%0.33SS*.SBendtrans-83.2-31.7-179.738.40000115.1
1030D87.1Confident91.9Very high87 Ų8755.3 Ų55.347%0.46530%0.304SS..  trans-139.8123.1169.7-177.3-3000108.8V1028 S1032 E1033V1028-D1030 WeakPolarHBondContact CG1-O 3.25Å; D1030-S1032 PolarHBondContact O-N 3.28Å; D1030-S1032 VanDerWaalsContact OD1-CB 3.23Å; D1030-S1032 WeakPolarHBondContact OD1-CB 3.03Å; D1030-S1032 PolarHBondContact OD1-N 3.2Å; D1030-S1032 PolarHBondContact OD1-OG 2.93Å; D1030-E1033 VanDerWaalsContact O-CB 3.23Å; D1030-E1033 WeakPolarHBondContact O-CB 3.24Å; D1030-E1033 PolarHBondContact O-N 2.86Å; D1030-E1033 VanDerWaalsContact O-N 3.13Å
1031V91.1Very high92Very high15 Ų1552.7 Ų52.79%0.09129%0.29CS..THydrogen-bonded Turntrans-71.7-12.9-179.3-179.90000111.8L1009 A1025 L1057 A1061 A1063L1009-V1031 HydrophobicContact CD2-CG1 4.17Å; A1025-V1031 HydrophobicContact CB-CG2 3.89Å; V1031-L1057 HydrophobicContact CG1-CD2 3.49Å; V1031-L1057 VanDerWaalsContact CG1-CD2 3.49Å; V1031-A1061 HydrophobicContact CB-CB 4.29Å; V1031-A1061 HydrophobicContact CG1-CB 3.89Å; V1031-A1061 HydrophobicContact CG2-CB 4.17Å; V1031-A1063 HydrophobicContact CG1-CB 4.18Å
1032S92.2Very high92.1Very high25 Ų2552.7 Ų52.718%0.17529%0.29CS..THydrogen-bonded Turntrans-87.2-2.4173.2-36.10000113.5D1030 T1040 D1064D1030-S1032 PolarHBondContact O-N 3.28Å; D1030-S1032 VanDerWaalsContact OD1-CB 3.23Å; D1030-S1032 WeakPolarHBondContact OD1-CB 3.03Å; D1030-S1032 PolarHBondContact OD1-N 3.2Å; D1030-S1032 PolarHBondContact OD1-OG 2.93Å; S1032-T1040 VanDerWaalsContact O-CG2 3.28Å; S1032-T1040 WeakPolarHBondContact O-CG2 3.49Å; S1032-D1064 PolarHBondContact OG-N 3.3Å
1033E90.7Very high92.2Very high79 Ų7949.6 Ų49.637%0.36928%0.276SS..  trans-60.8142.9177.3-165.7-179.2-159.300110.7L1006 D1030L1006-E1033 HydrophobicContact CD1-CB 4Å; L1006-E1033 HydrophobicContact CD1-CG 4.45Å; L1006-E1033 WeakPolarHBondContact CD1-O 2.9Å; L1006-E1033 HydrophobicContact CD2-CB 4.14Å; L1006-E1033 HydrophobicContact CD2-CG 3.65Å; D1030-E1033 VanDerWaalsContact O-CB 3.23Å; D1030-E1033 WeakPolarHBondContact O-CB 3.24Å; D1030-E1033 PolarHBondContact O-N 2.86Å; D1030-E1033 VanDerWaalsContact O-N 3.13Å
1034S93Very high92.4Very high56 Ų5644.7 Ų44.739%0.39226%0.256SS..BIsolated β-bridgetrans-111.3162.3-172.657.90000113.3L1006 G1038 I1039L1006-S1034 WeakPolarHBondContact CD2-O 3.5Å; S1034-G1038 WeakPolarHBondContact CB-O 3.33Å; S1034-I1039 WeakPolarHBondContact CA-O 3.04Å
1035N92.5Very high92.6Very high45 Ų4544.6 Ų44.624%0.24126%0.255CS..  trans-75.5-179.4164.379.6-12.9000111.8L1010 E1037 G1038 I1039L1010-N1035 HydrophobicContact CD1-CB 3.96Å; N1035-E1037 PolarHBondContact ND2-OE2 3.12Å; N1035-E1037 PolarHBondContact O-N 3.17Å; N1035-E1037 VanDerWaalsContact OD1-C 3.31Å; N1035-E1037 VanDerWaalsContact OD1-CA 3.31Å; N1035-E1037 WeakPolarHBondContact OD1-CA 3.38Å; N1035-E1037 WeakPolarHBondContact OD1-CB 3.28Å; N1035-E1037 PolarHBondContact OD1-N 3.16Å; N1035-G1038 PolarHBondContact O-N 3.11Å; N1035-G1038 PolarHBondContact OD1-N 2.95Å; N1035-G1038 VanDerWaalsContact OD1-N 3.14Å; N1035-I1039 PolarHBondContact N-O 3.46Å; N1035-I1039 WeakPolarHBondContact OD1-CB 3.35Å; N1035-I1039 PolarHBondContact OD1-N 2.95Å; N1035-I1039 PolarHBondContact OD1-O 3.49Å
1036D91.8Very high92.8Very high172 Ų17244 Ų4492%0.9225%0.25SC*.THydrogen-bonded Turntrans-61.7-10.7176.8-54.8-62.5000114.5
1037E92.7Very high93Very high69 Ų6940.3 Ų40.332%0.32222%0.224SC..THydrogen-bonded Turntrans-104.57.6177.6-54.9172.512800111.9N1035 I1039 T1070N1035-E1037 PolarHBondContact ND2-OE2 3.12Å; N1035-E1037 PolarHBondContact O-N 3.17Å; N1035-E1037 VanDerWaalsContact OD1-C 3.31Å; N1035-E1037 VanDerWaalsContact OD1-CA 3.31Å; N1035-E1037 WeakPolarHBondContact OD1-CA 3.38Å; N1035-E1037 WeakPolarHBondContact OD1-CB 3.28Å; N1035-E1037 PolarHBondContact OD1-N 3.16Å; E1037-I1039 HydrophobicContact CB-CD1 4.11Å; E1037-I1039 HydrophobicContact CB-CG1 4.09Å; E1037-I1039 PolarHBondContact O-N 2.83Å; E1037-T1070 WeakPolarHBondContact O-CG2 3.14Å; E1037-T1070 PolarHBondContact O-N 2.88Å; E1037-T1070 PolarHBondContact O-OG1 2.9Å; E1037-T1070 VanDerWaalsContact O-OG1 3.08Å
1038G93.3Very high93.2Very high12 Ų1237.1 Ų37.112%0.12421%0.214CC..SBendtrans75.7-2-177.200000114.8S1034 N1035 T1040S1034-G1038 WeakPolarHBondContact CB-O 3.33Å; N1035-G1038 PolarHBondContact O-N 3.11Å; N1035-G1038 PolarHBondContact OD1-N 2.95Å; N1035-G1038 VanDerWaalsContact OD1-N 3.14Å; G1038-T1040 PolarHBondContact O-N 2.77Å
1039I95.6Very high93.4Very high7 Ų737.8 Ų37.84%0.03622%0.224CC..  trans-72124.7-179.3-55.3175.2000109.3I684 S1034 N1035 E1037 H1043 N1044 D1069I684-I1039 HydrophobicContact CD1-CD1 3.83Å; I684-I1039 HydrophobicContact CG1-CD1 3.77Å; S1034-I1039 WeakPolarHBondContact CA-O 3.04Å; N1035-I1039 PolarHBondContact N-O 3.46Å; N1035-I1039 WeakPolarHBondContact OD1-CB 3.35Å; N1035-I1039 PolarHBondContact OD1-N 2.95Å; N1035-I1039 PolarHBondContact OD1-O 3.49Å; E1037-I1039 HydrophobicContact CB-CD1 4.11Å; E1037-I1039 HydrophobicContact CB-CG1 4.09Å; E1037-I1039 PolarHBondContact O-N 2.83Å; I1039-H1043 HydrophobicContact CG2-CB 3.74Å; I1039-N1044 VanDerWaalsContact CG2-OD1 3.32Å; I1039-N1044 WeakPolarHBondContact CG2-OD1 3.42Å; I1039-D1069 HydrophobicContact CG1-CB 4.39Å
1040T96.3Very high93.9Very high4 Ų435.8 Ų35.83%0.02520%0.201CC..BIsolated β-bridgetrans-100.9169.5176.668.90000111.8L1010 S1032 G1038 L1042 H1043 N1044 A1067L1010-T1040 VanDerWaalsContact CD2-C 3.44Å; S1032-T1040 VanDerWaalsContact O-CG2 3.28Å; S1032-T1040 WeakPolarHBondContact O-CG2 3.49Å; G1038-T1040 PolarHBondContact O-N 2.77Å; T1040-L1042 PolarHBondContact O-N 2.71Å; T1040-H1043 PolarHBondContact N-ND1 3.21Å; T1040-H1043 WeakPolarHBondContact O-CB 3.33Å; T1040-H1043 PolarHBondContact O-N 2.81Å; T1040-H1043 VanDerWaalsContact O-N 3.08Å; T1040-H1043 PolarHBondContact OG1-ND1 2.93Å; T1040-N1044 PolarHBondContact O-N 2.81Å; T1040-A1067 HydrophobicContact CG2-CB 3.86Å
1041A96.2Very high94.2Very high0 Ų033.9 Ų33.90%019%0.193CC..Hα-helixtrans-56.6-33.3176.500000113.2L1009 A1013 N1044 A1045 L1057L1009-A1041 HydrophobicContact CD1-CB 4.3Å; L1009-A1041 HydrophobicContact CD2-CB 4.11Å; L1009-A1041 HydrophobicContact CG-CB 3.81Å; A1013-A1041 HydrophobicContact CB-CB 4.19Å; A1013-A1041 WeakPolarHBondContact CB-O 3.41Å; A1041-N1044 PolarHBondContact O-N 3.31Å; A1041-A1045 WeakPolarHBondContact O-CB 3.28Å; A1041-A1045 PolarHBondContact O-N 3.49Å; A1041-L1057 HydrophobicContact CB-CD1 4.09Å; A1041-L1057 HydrophobicContact CB-CD2 4.32Å
1042L97.2Very high94.4Very high0 Ų036.6 Ų36.60%021%0.207CC..Hα-helixtrans-70.7-35.5177.9-175.157.1000112.4T1040 V1046 A1054 L1057 V1058 V1065 P1075 L1091T1040-L1042 PolarHBondContact O-N 2.71Å; L1042-V1046 HydrophobicContact CD1-CG2 4.16Å; L1042-V1046 WeakPolarHBondContact O-CB 3.35Å; L1042-V1046 VanDerWaalsContact O-CG2 3.25Å; L1042-V1046 WeakPolarHBondContact O-CG2 3.4Å; L1042-V1046 PolarHBondContact O-N 2.73Å; L1042-A1054 HydrophobicContact CD1-CB 4.09Å; L1042-L1057 HydrophobicContact CB-CD1 4.42Å; L1042-L1057 HydrophobicContact CD1-CB 4.29Å; L1042-L1057 HydrophobicContact CD1-CD1 4.44Å; L1042-V1058 HydrophobicContact CD1-CG2 3.85Å; L1042-V1058 HydrophobicContact CD2-CG2 3.82Å; L1042-V1065 HydrophobicContact CD2-CG1 4.21Å; L1042-P1075 HydrophobicContact CB-CG 4.43Å; L1042-P1075 HydrophobicContact CD2-CB 4.22Å; L1042-P1075 HydrophobicContact CD2-CG 3.92Å; L1042-P1075 HydrophobicContact CG-CB 4.07Å; L1042-P1075 HydrophobicContact CG-CG 3.93Å; L1042-L1091 HydrophobicContact CD2-CD2 4.07Å
1043H97.3Very high94.6Very high1 Ų135.4 Ų35.41%0.00520%0.199CC..Hα-helixtrans-61.4-49.7172.4-72.989.1000110.8I1039 T1040 A1045 V1046 C1047 A1067 W1073 P1075I1039-H1043 HydrophobicContact CG2-CB 3.74Å; T1040-H1043 PolarHBondContact N-ND1 3.21Å; T1040-H1043 WeakPolarHBondContact O-CB 3.33Å; T1040-H1043 PolarHBondContact O-N 2.81Å; T1040-H1043 VanDerWaalsContact O-N 3.08Å; T1040-H1043 PolarHBondContact OG1-ND1 2.93Å; H1043-A1045 PolarHBondContact O-N 3.07Å; H1043-V1046 PolarHBondContact O-N 2.91Å; H1043-C1047 WeakPolarHBondContact O-CB 3.2Å; H1043-C1047 PolarHBondContact O-N 3.43Å; H1043-C1047 PolarHBondContact O-SG 3.5Å; H1043-A1067 PolarHBondContact CE1-O 3.07Å; H1043-A1067 VanDerWaalsContact CE1-O 3.29Å; H1043-W1073 PolarHBondContact NE2-O 3.49Å; H1043-P1075 WeakPolarHBondContact NE2-CD 2.85Å
1044N95.9Very high94.9Very high11 Ų1131.7 Ų31.76%0.05918%0.181CC..Hα-helixtrans-58.6-47.5178.3-83.12.5000112.5L1010 A1013 L1014 I1039 T1040 A1041 V1046 A1048L1010-N1044 PolarHBondContact O-ND2 3.45Å; A1013-N1044 HydrophobicContact CB-CB 4.37Å; L1014-N1044 HydrophobicContact CB-CB 4Å; L1014-N1044 HydrophobicContact CD1-CB 4.05Å; I1039-N1044 VanDerWaalsContact CG2-OD1 3.32Å; I1039-N1044 WeakPolarHBondContact CG2-OD1 3.42Å; T1040-N1044 PolarHBondContact O-N 2.81Å; A1041-N1044 PolarHBondContact O-N 3.31Å; N1044-V1046 VanDerWaalsContact C-N 3.34Å; N1044-V1046 PolarHBondContact O-N 3.35Å; N1044-A1048 WeakPolarHBondContact O-CB 3.36Å; N1044-A1048 PolarHBondContact O-N 2.92Å
1045A96.7Very high95Very high0 Ų033.3 Ų33.30%018%0.183CC..Hα-helixtrans-59.3-42.6176.700000112.6A1013 A1041 H1043 G1049 R1050 V1053 A1054 L1057A1013-A1045 HydrophobicContact CB-CB 4.4Å; A1013-A1045 WeakPolarHBondContact O-CA 3.2Å; A1041-A1045 WeakPolarHBondContact O-CB 3.28Å; A1041-A1045 PolarHBondContact O-N 3.49Å; H1043-A1045 PolarHBondContact O-N 3.07Å; A1045-G1049 PolarHBondContact O-N 2.91Å; A1045-R1050 HydrophobicContact CB-CB 4.49Å; A1045-R1050 PolarHBondContact O-N 2.73Å; A1045-V1053 HydrophobicContact CB-CB 4.16Å; A1045-V1053 HydrophobicContact CB-CG1 3.65Å; A1045-A1054 HydrophobicContact CB-CB 4.41Å; A1045-L1057 HydrophobicContact CB-CD1 4.02Å
1046V96.3Very high95.2Very high0 Ų032.8 Ų32.80%018%0.178CC..Hα-helixtrans-70-47.7-180167.80000111.8L1042 H1043 N1044 A1048 G1049 A1054 P1075 C1078 A1079 L1087 L1091L1042-V1046 HydrophobicContact CD1-CG2 4.16Å; L1042-V1046 WeakPolarHBondContact O-CB 3.35Å; L1042-V1046 VanDerWaalsContact O-CG2 3.25Å; L1042-V1046 WeakPolarHBondContact O-CG2 3.4Å; L1042-V1046 PolarHBondContact O-N 2.73Å; H1043-V1046 PolarHBondContact O-N 2.91Å; N1044-V1046 VanDerWaalsContact C-N 3.34Å; N1044-V1046 PolarHBondContact O-N 3.35Å; V1046-A1048 VanDerWaalsContact C-N 3.26Å; V1046-A1048 PolarHBondContact O-N 3.34Å; V1046-G1049 PolarHBondContact O-N 2.68Å; V1046-A1054 HydrophobicContact CG2-CB 4.42Å; V1046-P1075 WeakPolarHBondContact CG1-O 3.48Å; V1046-P1075 HydrophobicContact CG2-CB 4.38Å; V1046-C1078 HydrophobicContact CG1-CB 3.72Å; V1046-A1079 HydrophobicContact CG1-CB 3.81Å; V1046-L1087 HydrophobicContact CB-CD1 4.3Å; V1046-L1087 HydrophobicContact CG1-CD1 4.11Å; V1046-L1087 HydrophobicContact CG2-CD1 4.29Å; V1046-L1087 HydrophobicContact CG2-CD2 4.38Å; V1046-L1091 HydrophobicContact CG2-CD1 4.23Å
1047C94.5Very high95.3Very high12 Ų1224.6 Ų24.68%0.08114%0.135CC..Hα-helixtrans-60.5-33.2176.8-73.80000112.9M681 H1043 G1049M681-C1047 HydrophobicContact CE-CB 3.92Å; M681-C1047 WeakPolarHBondContact CE-O 3.46Å; M681-C1047 HydrophobicContact SD-CB 3.85Å; H1043-C1047 WeakPolarHBondContact O-CB 3.2Å; H1043-C1047 PolarHBondContact O-N 3.43Å; H1043-C1047 PolarHBondContact O-SG 3.5Å; C1047-G1049 VanDerWaalsContact C-N 3.32Å
1048A92.9Very high95.4Very high27 Ų2721.3 Ų21.322%0.22312%0.119CC..THydrogen-bonded Turntrans-863.117500000114.3L1014 N1044 V1046 R1050L1014-A1048 HydrophobicContact CD1-CB 4.25Å; L1014-A1048 WeakPolarHBondContact O-CB 3.49Å; N1044-A1048 WeakPolarHBondContact O-CB 3.36Å; N1044-A1048 PolarHBondContact O-N 2.92Å; V1046-A1048 VanDerWaalsContact C-N 3.26Å; V1046-A1048 PolarHBondContact O-N 3.34Å; A1048-R1050 HydrophobicContact CB-CG 3.82Å; A1048-R1050 PolarHBondContact O-N 3.41Å; A1048-R1050 PolarHBondContact O-NH1 3.19Å
1049G93.3Very high95.4Very high33 Ų3324.5 Ų24.534%0.3413%0.133SC..THydrogen-bonded Turntrans65.621.9179.400000114.5A1045 V1046 C1047 V1051A1045-G1049 PolarHBondContact O-N 2.91Å; V1046-G1049 PolarHBondContact O-N 2.68Å; C1047-G1049 VanDerWaalsContact C-N 3.32Å; G1049-V1051 PolarHBondContact O-N 2.92Å
1050R94.6Very high95.2Very high96 Ų9627.5 Ų27.536%0.36215%0.152SC..  trans-82.578.1-175.2-56.7-56.2-166.8-135.912.8110.6E1015 A1045 A1048 D1052 V1053 A1054E1015-R1050 VanDerWaalsContact O-CZ 3.29Å; E1015-R1050 PolarHBondContact O-NE 2.76Å; E1015-R1050 PolarHBondContact O-NH2 3.5Å; A1045-R1050 HydrophobicContact CB-CB 4.49Å; A1045-R1050 PolarHBondContact O-N 2.73Å; A1048-R1050 HydrophobicContact CB-CG 3.82Å; A1048-R1050 PolarHBondContact O-N 3.41Å; A1048-R1050 PolarHBondContact O-NH1 3.19Å; R1050-D1052 VanDerWaalsContact C-N 3.33Å; R1050-D1052 PolarHBondContact O-N 2.98Å; R1050-V1053 HydrophobicContact CB-CB 3.83Å; R1050-V1053 HydrophobicContact CB-CG2 3.99Å; R1050-V1053 PolarHBondContact O-N 3.35Å; R1050-A1054 WeakPolarHBondContact O-CB 3.42Å; R1050-A1054 PolarHBondContact O-N 3.34Å
1051V95Very high94.8Very high47 Ų4728.7 Ų28.729%0.28516%0.162SC..Hα-helixtrans-58.1-42.3-174.9-172.90000112.4G1049 A1054 E1055 L1087G1049-V1051 PolarHBondContact O-N 2.92Å; V1051-A1054 PolarHBondContact O-N 3.48Å; V1051-E1055 WeakPolarHBondContact O-CB 3.39Å; V1051-E1055 WeakPolarHBondContact O-CG 3.21Å; V1051-E1055 PolarHBondContact O-N 2.99Å; V1051-L1087 HydrophobicContact CB-CD2 4.44Å; V1051-L1087 HydrophobicContact CG1-CD2 4.4Å; V1051-L1087 HydrophobicContact CG2-CD2 4.27Å; V1051-L1087 HydrophobicContact CG2-CG 4.23Å
1052D95.4Very high94.4Very high73 Ų7329 Ų2939%0.3917%0.166SC..Hα-helixtrans-65.7-37.2178.664.9-41.3000113.2L1018 R1050 F1056L1018-D1052 HydrophobicContact CD2-CB 4.33Å; R1050-D1052 VanDerWaalsContact C-N 3.33Å; R1050-D1052 PolarHBondContact O-N 2.98Å; D1052-F1056 PolarHBondContact O-N 2.71Å
1053V96.3Very high94.2Very high0 Ų029.2 Ų29.20%017%0.167CC..Hα-helixtrans-70.1-45.3173176.20000110.9A1013 L1018 V1021 A1045 R1050 F1056 L1057A1013-V1053 HydrophobicContact CB-CG1 4.09Å; L1018-V1053 HydrophobicContact CB-CG2 4.23Å; L1018-V1053 HydrophobicContact CD1-CG2 4.27Å; V1021-V1053 HydrophobicContact CG1-CG1 4.18Å; V1021-V1053 HydrophobicContact CG2-CG1 4.02Å; A1045-V1053 HydrophobicContact CB-CB 4.16Å; A1045-V1053 HydrophobicContact CB-CG1 3.65Å; R1050-V1053 HydrophobicContact CB-CB 3.83Å; R1050-V1053 HydrophobicContact CB-CG2 3.99Å; R1050-V1053 PolarHBondContact O-N 3.35Å; V1053-F1056 PolarHBondContact O-N 2.71Å; V1053-L1057 HydrophobicContact CG1-CD1 3.87Å; V1053-L1057 HydrophobicContact CG1-CG 4.3Å; V1053-L1057 WeakPolarHBondContact O-CB 3.29Å; V1053-L1057 VanDerWaalsContact O-CG 3.26Å; V1053-L1057 WeakPolarHBondContact O-CG 3.47Å; V1053-L1057 PolarHBondContact O-N 2.71Å
1054A96.3Very high94Very high0 Ų030.2 Ų30.20%017%0.172CC..Hα-helixtrans-63.3-41.4176.900000111.9L1042 A1045 V1046 R1050 V1051 L1057 V1058 L1087 L1090L1042-A1054 HydrophobicContact CD1-CB 4.09Å; A1045-A1054 HydrophobicContact CB-CB 4.41Å; V1046-A1054 HydrophobicContact CG2-CB 4.42Å; R1050-A1054 WeakPolarHBondContact O-CB 3.42Å; R1050-A1054 PolarHBondContact O-N 3.34Å; V1051-A1054 PolarHBondContact O-N 3.48Å; A1054-L1057 PolarHBondContact O-N 2.87Å; A1054-V1058 WeakPolarHBondContact O-CG2 3.45Å; A1054-V1058 PolarHBondContact O-N 3.34Å; A1054-L1087 HydrophobicContact CB-CD2 3.53Å; A1054-L1090 HydrophobicContact CB-CD2 4.35Å
1055E95.4Very high93.9Very high91 Ų9129.9 Ų29.943%0.42517%0.17SC..Hα-helixtrans-55.2-51.6170.3-85.2-178.7-161.800111.2V1051 L1057 V1058 L1059 L1090V1051-E1055 WeakPolarHBondContact O-CB 3.39Å; V1051-E1055 WeakPolarHBondContact O-CG 3.21Å; V1051-E1055 PolarHBondContact O-N 2.99Å; E1055-L1057 PolarHBondContact O-N 2.86Å; E1055-V1058 PolarHBondContact O-N 2.84Å; E1055-L1059 HydrophobicContact CB-CD1 4.04Å; E1055-L1059 HydrophobicContact CG-CD1 4.12Å; E1055-L1059 WeakPolarHBondContact O-CA 3.28Å; E1055-L1059 WeakPolarHBondContact O-CB 3.36Å; E1055-L1059 VanDerWaalsContact O-CG 3.26Å; E1055-L1059 WeakPolarHBondContact O-CG 3.49Å; E1055-L1059 PolarHBondContact O-N 2.82Å; E1055-L1090 HydrophobicContact CB-CD1 4.34Å; E1055-L1090 HydrophobicContact CG-CD1 3.48Å; E1055-L1090 VanDerWaalsContact CG-CD1 3.48Å
1056F95.5Very high93.8Very high34 Ų3430.7 Ų30.715%0.14918%0.175CC..Hα-helixtrans-60.9-45.8177.9171.2-100000112.6L1018 V1021 K1022 A1025 D1052 V1053 V1058 T1060 A1061L1018-F1056 HydrophobicContact CD1-CB 3.7Å; L1018-F1056 HydrophobicContact CD1-CG 4.12Å; V1021-F1056 HydrophobicContact CG1-CD1 3.82Å; V1021-F1056 HydrophobicContact CG1-CE1 3.99Å; K1022-F1056 HydrophobicContact CB-CE1 4.47Å; K1022-F1056 HydrophobicContact CB-CZ 4.17Å; K1022-F1056 HydrophobicContact CG-CD1 4.24Å; K1022-F1056 HydrophobicContact CG-CD2 3.92Å; K1022-F1056 HydrophobicContact CG-CE1 3.96Å; K1022-F1056 HydrophobicContact CG-CE2 3.62Å; K1022-F1056 HydrophobicContact CG-CG 4.23Å; K1022-F1056 HydrophobicContact CG-CZ 3.65Å; A1025-F1056 HydrophobicContact CB-CE1 4.11Å; D1052-F1056 PolarHBondContact O-N 2.71Å; V1053-F1056 PolarHBondContact O-N 2.71Å; F1056-V1058 PolarHBondContact O-N 2.97Å; F1056-T1060 HydrophobicContact CD2-CG2 3.94Å; F1056-T1060 HydrophobicContact CE2-CG2 3.59Å; F1056-T1060 WeakPolarHBondContact O-CA 3.5Å; F1056-T1060 VanDerWaalsContact O-CB 3.31Å; F1056-T1060 WeakPolarHBondContact O-CB 3.02Å; F1056-T1060 PolarHBondContact O-N 2.87Å; F1056-A1061 HydrophobicContact CE1-CB 4.19Å; F1056-A1061 HydrophobicContact CZ-CB 4.37Å; F1056-A1061 PolarHBondContact O-N 2.71Å
1057L95.3Very high93.7Very high0 Ų031.5 Ų31.50%018%0.181CC..Hα-helixtrans-62-42.8-178.2-71.5172.7000111.9L1009 V1021 V1031 A1041 L1042 A1045 V1053 A1054 E1055 A1061 G1062 A1063L1009-L1057 HydrophobicContact CD1-CD2 4.48Å; V1021-L1057 HydrophobicContact CG1-CD2 4.04Å; V1021-L1057 HydrophobicContact CG1-CG 4.44Å; V1031-L1057 HydrophobicContact CG1-CD2 3.49Å; V1031-L1057 VanDerWaalsContact CG1-CD2 3.49Å; A1041-L1057 HydrophobicContact CB-CD1 4.09Å; A1041-L1057 HydrophobicContact CB-CD2 4.32Å; L1042-L1057 HydrophobicContact CB-CD1 4.42Å; L1042-L1057 HydrophobicContact CD1-CB 4.29Å; L1042-L1057 HydrophobicContact CD1-CD1 4.44Å; A1045-L1057 HydrophobicContact CB-CD1 4.02Å; V1053-L1057 HydrophobicContact CG1-CD1 3.87Å; V1053-L1057 HydrophobicContact CG1-CG 4.3Å; V1053-L1057 WeakPolarHBondContact O-CB 3.29Å; V1053-L1057 VanDerWaalsContact O-CG 3.26Å; V1053-L1057 WeakPolarHBondContact O-CG 3.47Å; V1053-L1057 PolarHBondContact O-N 2.71Å; A1054-L1057 PolarHBondContact O-N 2.87Å; E1055-L1057 PolarHBondContact O-N 2.86Å; L1057-A1061 CarbonylContact O-C 3.57Å; L1057-A1061 WeakPolarHBondContact O-CB 3.25Å; L1057-G1062 PolarHBondContact O-N 3.38Å; L1057-A1063 HydrophobicContact CB-CB 4.18Å; L1057-A1063 WeakPolarHBondContact O-CB 3.37Å; L1057-A1063 PolarHBondContact O-N 3.37Å
1058V94.7Very high93.7Very high0 Ų033 Ų330%020%0.2CC..Hα-helixtrans-79.8-52.7179.4177.50000111.8L1042 A1054 E1055 F1056 V1065 L1090 L1091 H1094L1042-V1058 HydrophobicContact CD1-CG2 3.85Å; L1042-V1058 HydrophobicContact CD2-CG2 3.82Å; A1054-V1058 WeakPolarHBondContact O-CG2 3.45Å; A1054-V1058 PolarHBondContact O-N 3.34Å; E1055-V1058 PolarHBondContact O-N 2.84Å; F1056-V1058 PolarHBondContact O-N 2.97Å; V1058-V1065 HydrophobicContact CB-CG1 4.49Å; V1058-V1065 HydrophobicContact CG1-CG1 3.88Å; V1058-V1065 HydrophobicContact CG2-CG1 3.76Å; V1058-L1090 HydrophobicContact CB-CD2 4.23Å; V1058-L1090 HydrophobicContact CG2-CD2 3.95Å; V1058-L1091 HydrophobicContact CG2-CD2 4.42Å; V1058-H1094 HydrophobicContact CG1-CB 3.61Å
1059L92.5Very high93.8Very high79 Ų7932.3 Ų32.341%0.41419%0.192SC..Hα-helixtrans-79.7-23.5-169.8-59171.6000114.6E1055 H1094 I1213E1055-L1059 HydrophobicContact CB-CD1 4.04Å; E1055-L1059 HydrophobicContact CG-CD1 4.12Å; E1055-L1059 WeakPolarHBondContact O-CA 3.28Å; E1055-L1059 WeakPolarHBondContact O-CB 3.36Å; E1055-L1059 VanDerWaalsContact O-CG 3.26Å; E1055-L1059 WeakPolarHBondContact O-CG 3.49Å; E1055-L1059 PolarHBondContact O-N 2.82Å; L1059-H1094 WeakPolarHBondContact CD2-NE2 3.22Å; L1059-I1213 VanDerWaalsContact O-CD1 3.32Å; L1059-I1213 WeakPolarHBondContact O-CD1 3.48Å
1060T90.7Very high93.9Very high70 Ų7034.9 Ų34.943%0.42920%0.201SC..THydrogen-bonded Turntrans-123-38.2-172.4-47.50000112.8F1056F1056-T1060 HydrophobicContact CD2-CG2 3.94Å; F1056-T1060 HydrophobicContact CE2-CG2 3.59Å; F1056-T1060 WeakPolarHBondContact O-CA 3.5Å; F1056-T1060 VanDerWaalsContact O-CB 3.31Å; F1056-T1060 WeakPolarHBondContact O-CB 3.02Å; F1056-T1060 PolarHBondContact O-N 2.87Å
1061A87.9Confident93.8Very high28 Ų2833.4 Ų33.423%0.23120%0.2CC..SBendtrans-93-16.8179.100000114V1031 F1056 L1057V1031-A1061 HydrophobicContact CB-CB 4.29Å; V1031-A1061 HydrophobicContact CG1-CB 3.89Å; V1031-A1061 HydrophobicContact CG2-CB 4.17Å; F1056-A1061 HydrophobicContact CE1-CB 4.19Å; F1056-A1061 HydrophobicContact CZ-CB 4.37Å; F1056-A1061 PolarHBondContact O-N 2.71Å; L1057-A1061 CarbonylContact O-C 3.57Å; L1057-A1061 WeakPolarHBondContact O-CB 3.25Å
1062G87.8Confident93.8Very high8 Ų831.8 Ų31.88%0.08219%0.193CC..  trans73.226.3176.100000114.9L1057L1057-G1062 PolarHBondContact O-N 3.38Å
1063A93.4Very high93.9Very high3 Ų329.3 Ų29.33%0.02518%0.179CC..  trans-60.9142.9-179.100000112.3V1031 L1057 V1065V1031-A1063 HydrophobicContact CG1-CB 4.18Å; L1057-A1063 HydrophobicContact CB-CB 4.18Å; L1057-A1063 WeakPolarHBondContact O-CB 3.37Å; L1057-A1063 PolarHBondContact O-N 3.37Å; A1063-V1065 PolarHBondContact O-N 3.1Å; A1063-V1065 VanDerWaalsContact O-N 3.13Å
1064D93.2Very high93.9Very high22 Ų2229.8 Ų29.812%0.11818%0.182CC..  trans-69.9109.7-177.2-164.7-7.7000113.4S1032 N1066 A1067 R1212S1032-D1064 PolarHBondContact OG-N 3.3Å; D1064-N1066 PolarHBondContact O-N 3.49Å; D1064-N1066 PolarHBondContact OD1-N 3.09Å; D1064-A1067 HydrophobicContact CB-CB 4.34Å; D1064-A1067 PolarHBondContact O-N 3.35Å; D1064-R1212 IonicContact OD2-CZ 2.57Å; D1064-R1212 IonicContact OD2-NE 2.68Å; D1064-R1212 IonicContact OD2-NH2 3.15Å; D1064-R1212 PolarHBondContact OD2-NH2 2.79Å
1065V95Very high93.9Very high4 Ų429.8 Ų29.82%0.02418%0.182CC..THydrogen-bonded Turntrans-64.9-13.5174.4-60.80000114L1042 V1058 A1063 L1091 H1094 A1096 L1210L1042-V1065 HydrophobicContact CD2-CG1 4.21Å; V1058-V1065 HydrophobicContact CB-CG1 4.49Å; V1058-V1065 HydrophobicContact CG1-CG1 3.88Å; V1058-V1065 HydrophobicContact CG2-CG1 3.76Å; A1063-V1065 PolarHBondContact O-N 3.1Å; A1063-V1065 VanDerWaalsContact O-N 3.13Å; V1065-L1091 HydrophobicContact CB-CD2 4.1Å; V1065-L1091 HydrophobicContact CG1-CD2 3.91Å; V1065-H1094 HydrophobicContact CG1-CB 4.37Å; V1065-A1096 HydrophobicContact CB-CB 4.42Å; V1065-A1096 HydrophobicContact CG2-CB 4.36Å; V1065-L1210 HydrophobicContact CG2-CD1 3.74Å
1066N94.8Very high94Very high17 Ų1725.5 Ų25.59%0.09116%0.161CC..THydrogen-bonded Turntrans-1118.9179.2-69.1-61.4000113.9D1064 G1068 G1095 A1096 S1097 F1145 L1210D1064-N1066 PolarHBondContact O-N 3.49Å; D1064-N1066 PolarHBondContact OD1-N 3.09Å; N1066-G1068 PolarHBondContact O-N 3.32Å; N1066-G1095 PolarHBondContact ND2-O 3.44Å; N1066-A1096 WeakPolarHBondContact OD1-CA 3.42Å; N1066-S1097 PolarHBondContact OD1-N 3.47Å; N1066-F1145 HydrophobicContact CB-CE1 3.93Å; N1066-F1145 HydrophobicContact CB-CZ 3.85Å; N1066-L1210 WeakPolarHBondContact ND2-CD1 3.47Å
1067A94.2Very high94Very high17 Ų1723.9 Ų23.914%0.1415%0.154CC..  trans-54.6138.7172.200000110.8T1040 H1043 D1064 T1074 P1075T1040-A1067 HydrophobicContact CG2-CB 3.86Å; H1043-A1067 PolarHBondContact CE1-O 3.07Å; H1043-A1067 VanDerWaalsContact CE1-O 3.29Å; D1064-A1067 HydrophobicContact CB-CB 4.34Å; D1064-A1067 PolarHBondContact O-N 3.35Å; A1067-T1074 WeakPolarHBondContact O-CA 3.4Å; A1067-P1075 WeakPolarHBondContact O-CD 3.22Å
1068G94.1Very high94Very high45 Ų4523.9 Ų23.946%0.46415%0.154SC..  trans-111.6134.917900000112.5N1066 W1073N1066-G1068 PolarHBondContact O-N 3.32Å; G1068-W1073 CarbonylContact C-O 3.46Å; G1068-W1073 VanDerWaalsContact CA-O 3.24Å; G1068-W1073 WeakPolarHBondContact CA-O 3.32Å
1069D95.2Very high94Very high12 Ų1223.9 Ų23.96%0.06415%0.154CC..  trans-76.2-179.917187.1-6.7000112.5Y680 I1039 D1071 G1072 W1073Y680-D1069 PolarHBondContact OH-OD2 2.71Å; I1039-D1069 HydrophobicContact CG1-CB 4.39Å; D1069-D1071 PolarHBondContact O-N 3.37Å; D1069-D1071 WeakPolarHBondContact OD1-CA 3.06Å; D1069-D1071 PolarHBondContact OD1-N 3.41Å; D1069-G1072 PolarHBondContact O-N 3.34Å; D1069-G1072 PolarHBondContact OD1-N 3.44Å; D1069-W1073 PolarHBondContact N-O 3.25Å; D1069-W1073 PolarHBondContact OD1-N 3.16Å
1070T94Very high94.1Very high87 Ų8720.1 Ų20.153%0.53413%0.134SC..THydrogen-bonded Turntrans-63.1-21-179.944.30000115.5E1037E1037-T1070 WeakPolarHBondContact O-CG2 3.14Å; E1037-T1070 PolarHBondContact O-N 2.88Å; E1037-T1070 PolarHBondContact O-OG1 2.9Å; E1037-T1070 VanDerWaalsContact O-OG1 3.08Å
1071D93.8Very high94.1Very high64 Ų6417.4 Ų17.434%0.34212%0.119SC..THydrogen-bonded Turntrans-98.36.6174.1-76.9-39.6000111.6D1069 W1073 L1103D1069-D1071 PolarHBondContact O-N 3.37Å; D1069-D1071 WeakPolarHBondContact OD1-CA 3.06Å; D1069-D1071 PolarHBondContact OD1-N 3.41Å; D1071-W1073 VanDerWaalsContact C-N 3.33Å; D1071-L1103 WeakPolarHBondContact O-CB 3.43Å; D1071-L1103 PolarHBondContact O-N 3.28Å
1072G94.4Very high94.2Very high13 Ų1318 Ų1813%0.13412%0.121CC..  trans76.214.5179.700000114.6D1069D1069-G1072 PolarHBondContact O-N 3.34Å; D1069-G1072 PolarHBondContact OD1-N 3.44Å
1073W96.9Very high94.3Very high22 Ų2218.2 Ų18.28%0.08312%0.122CC..  trans-69.2144.3170.7-70.763.2000109.3H1043 G1068 D1069 D1071 H1077 T1102 K1112H1043-W1073 PolarHBondContact NE2-O 3.49Å; G1068-W1073 CarbonylContact C-O 3.46Å; G1068-W1073 VanDerWaalsContact CA-O 3.24Å; G1068-W1073 WeakPolarHBondContact CA-O 3.32Å; D1069-W1073 PolarHBondContact N-O 3.25Å; D1069-W1073 PolarHBondContact OD1-N 3.16Å; D1071-W1073 VanDerWaalsContact C-N 3.33Å; W1073-H1077 HydrophobicContact CB-CB 4.41Å; W1073-H1077 HydrophobicContact CD2-CB 4.17Å; W1073-H1077 HydrophobicContact CE3-CB 3.59Å; W1073-H1077 HydrophobicContact CZ3-CB 4.2Å; W1073-T1102 HydrophobicContact CD2-CG2 4.32Å; W1073-T1102 HydrophobicContact CG-CG2 4.16Å; W1073-K1112 HydrophobicContact CH2-CD 3.91Å; W1073-K1112 HydrophobicContact CH2-CG 4.26Å; W1073-K1112 HydrophobicContact CZ2-CD 4.12Å; W1073-K1112 HydrophobicContact CZ3-CG 4.45Å
1074T96.7Very high94.1Very high10 Ų1019.7 Ų19.76%0.06113%0.13CC..  trans-118.2165.6172.768.10000108.8A1067 L1076 H1077 C1078 A1100A1067-T1074 WeakPolarHBondContact O-CA 3.4Å; T1074-L1076 PolarHBondContact O-N 3.12Å; T1074-H1077 PolarHBondContact N-ND1 3.49Å; T1074-H1077 VanDerWaalsContact N-ND1 3.18Å; T1074-H1077 WeakPolarHBondContact O-CB 3.39Å; T1074-H1077 PolarHBondContact O-N 3.13Å; T1074-H1077 PolarHBondContact OG1-ND1 3.37Å; T1074-C1078 PolarHBondContact O-N 3.2Å; T1074-C1078 VanDerWaalsContact O-N 3.13Å; T1074-C1078 PolarHBondContact O-SG 3.47Å; T1074-A1100 HydrophobicContact CG2-CB 4.24Å
1075P97Very high94.1Very high0 Ų019.2 Ų19.20%013%0.128CC..Hα-helixtrans-52.2-29.8176.6-29.336.9000113.6L1042 H1043 V1046 A1067 C1078 A1079 L1091L1042-P1075 HydrophobicContact CB-CG 4.43Å; L1042-P1075 HydrophobicContact CD2-CB 4.22Å; L1042-P1075 HydrophobicContact CD2-CG 3.92Å; L1042-P1075 HydrophobicContact CG-CB 4.07Å; L1042-P1075 HydrophobicContact CG-CG 3.93Å; H1043-P1075 WeakPolarHBondContact NE2-CD 2.85Å; V1046-P1075 WeakPolarHBondContact CG1-O 3.48Å; V1046-P1075 HydrophobicContact CG2-CB 4.38Å; A1067-P1075 WeakPolarHBondContact O-CD 3.22Å; P1075-C1078 PolarHBondContact O-N 2.87Å; P1075-A1079 WeakPolarHBondContact O-CB 3.3Å; P1075-A1079 PolarHBondContact O-N 3.45Å; P1075-L1091 VanDerWaalsContact C-CD1 3.48Å; P1075-L1091 HydrophobicContact CB-CD1 3.85Å; P1075-L1091 HydrophobicContact CB-CD2 3.94Å; P1075-L1091 WeakPolarHBondContact O-CD1 3.36Å
1076L97.4Very high94.1Very high0 Ų022.7 Ų22.70%015%0.15CC..Hα-helixtrans-72.6-35.2176.7-170.560.8000113.1T1074 C1078 A1080 A1088 L1091 V1092 A1096 L1098 P1109 L1126T1074-L1076 PolarHBondContact O-N 3.12Å; L1076-C1078 VanDerWaalsContact C-N 3.35Å; L1076-A1080 WeakPolarHBondContact O-CB 3.26Å; L1076-A1080 PolarHBondContact O-N 3.16Å; L1076-A1088 HydrophobicContact CD1-CB 4.18Å; L1076-L1091 HydrophobicContact CB-CD1 4.48Å; L1076-L1091 HydrophobicContact CD1-CB 4.17Å; L1076-L1091 HydrophobicContact CD1-CD1 4.44Å; L1076-V1092 HydrophobicContact CD1-CG2 3.82Å; L1076-V1092 HydrophobicContact CD2-CG2 3.83Å; L1076-A1096 HydrophobicContact CB-CB 4.19Å; L1076-A1096 HydrophobicContact CD2-CB 3.92Å; L1076-L1098 HydrophobicContact CD2-CD2 4.24Å; L1076-P1109 HydrophobicContact CB-CB 4.45Å; L1076-P1109 HydrophobicContact CB-CG 4.27Å; L1076-P1109 HydrophobicContact CD2-CB 4.17Å; L1076-P1109 HydrophobicContact CD2-CG 4.03Å; L1076-P1109 HydrophobicContact CG-CB 3.84Å; L1076-P1109 HydrophobicContact CG-CG 4Å; L1076-L1126 HydrophobicContact CD1-CD2 4.2Å
1077H96.1Very high94.1Very high0 Ų021.9 Ų21.90%015%0.146CC..Hα-helixtrans-63.7-42.6170.8-65.293.3000110.7W1073 T1074 A1080 S1081 E1107 P1109W1073-H1077 HydrophobicContact CB-CB 4.41Å; W1073-H1077 HydrophobicContact CD2-CB 4.17Å; W1073-H1077 HydrophobicContact CE3-CB 3.59Å; W1073-H1077 HydrophobicContact CZ3-CB 4.2Å; T1074-H1077 PolarHBondContact N-ND1 3.49Å; T1074-H1077 VanDerWaalsContact N-ND1 3.18Å; T1074-H1077 WeakPolarHBondContact O-CB 3.39Å; T1074-H1077 PolarHBondContact O-N 3.13Å; T1074-H1077 PolarHBondContact OG1-ND1 3.37Å; H1077-A1080 PolarHBondContact O-N 3.01Å; H1077-S1081 WeakPolarHBondContact O-CB 3.45Å; H1077-S1081 PolarHBondContact O-N 2.99Å; H1077-S1081 PolarHBondContact O-OG 3.47Å; H1077-E1107 PolarHBondContact NE2-O 2.97Å; H1077-P1109 WeakPolarHBondContact NE2-CD 3.44Å
1078C94.7Very high94.1Very high0 Ų021 Ų210%014%0.139CC..Hα-helixtrans-59.8-51.4175.6-58.20000111.3V1046 T1074 P1075 L1076 A1080 S1081 C1082V1046-C1078 HydrophobicContact CG1-CB 3.72Å; T1074-C1078 PolarHBondContact O-N 3.2Å; T1074-C1078 VanDerWaalsContact O-N 3.13Å; T1074-C1078 PolarHBondContact O-SG 3.47Å; P1075-C1078 PolarHBondContact O-N 2.87Å; L1076-C1078 VanDerWaalsContact C-N 3.35Å; C1078-A1080 VanDerWaalsContact C-N 3.3Å; C1078-A1080 PolarHBondContact O-N 3.34Å; C1078-S1081 PolarHBondContact O-N 2.94Å; C1078-S1081 PolarHBondContact O-OG 2.96Å; C1078-C1082 PolarHBondContact O-N 3.06Å; C1078-C1082 PolarHBondContact O-SG 3.14Å; C1078-C1082 VanDerWaalsContact O-SG 3.41Å
1079A94.7Very high94.2Very high0 Ų023 Ų230%014%0.135CC..Hα-helixtrans-57.6-41.3178.700000112.4V1046 P1075 C1082 G1083 N1084 L1087 A1088 L1091V1046-A1079 HydrophobicContact CG1-CB 3.81Å; P1075-A1079 WeakPolarHBondContact O-CB 3.3Å; P1075-A1079 PolarHBondContact O-N 3.45Å; A1079-C1082 CarbonylContact O-C 3.5Å; A1079-C1082 PolarHBondContact O-N 2.94Å; A1079-G1083 PolarHBondContact O-N 3.15Å; A1079-N1084 PolarHBondContact O-N 3.33Å; A1079-L1087 HydrophobicContact CB-CB 4.03Å; A1079-A1088 HydrophobicContact CB-CB 4.35Å; A1079-L1091 HydrophobicContact CB-CD1 4Å
1080A93.9Very high94.2Very high0 Ų023.4 Ų23.40%014%0.137CC..Hα-helixtrans-66.3-43.817700000113.1L1076 H1077 C1078 C1082 G1083 P1109 K1112 L1126L1076-A1080 WeakPolarHBondContact O-CB 3.26Å; L1076-A1080 PolarHBondContact O-N 3.16Å; H1077-A1080 PolarHBondContact O-N 3.01Å; C1078-A1080 VanDerWaalsContact C-N 3.3Å; C1078-A1080 PolarHBondContact O-N 3.34Å; A1080-C1082 PolarHBondContact O-N 3.35Å; A1080-G1083 PolarHBondContact O-N 3.27Å; A1080-P1109 HydrophobicContact CB-CB 4.37Å; A1080-P1109 WeakPolarHBondContact CB-O 3.19Å; A1080-K1112 HydrophobicContact CB-CB 4.48Å; A1080-L1126 HydrophobicContact CB-CD1 3.83Å
1081S91.9Very high94.3Very high14 Ų1419.2 Ų19.210%0.09811%0.112CC..Hα-helixtrans-66.9-13.3176.970.70000114.8N677 H1077 C1078 K1112N677-S1081 PolarHBondContact ND2-O 2.83Å; H1077-S1081 WeakPolarHBondContact O-CB 3.45Å; H1077-S1081 PolarHBondContact O-N 2.99Å; H1077-S1081 PolarHBondContact O-OG 3.47Å; C1078-S1081 PolarHBondContact O-N 2.94Å; C1078-S1081 PolarHBondContact O-OG 2.96Å; S1081-K1112 WeakPolarHBondContact CA-O 3.44Å
1082C89.3Confident94.4Very high41 Ų4116.2 Ų16.228%0.27710%0.095SC..THydrogen-bonded Turntrans-106.79.3173-59.30000112.9C1078 A1079 A1080 N1084C1078-C1082 PolarHBondContact O-N 3.06Å; C1078-C1082 PolarHBondContact O-SG 3.14Å; C1078-C1082 VanDerWaalsContact O-SG 3.41Å; A1079-C1082 CarbonylContact O-C 3.5Å; A1079-C1082 PolarHBondContact O-N 2.94Å; A1080-C1082 PolarHBondContact O-N 3.35Å; C1082-N1084 HydrophobicContact CB-CB 4.45Å; C1082-N1084 PolarHBondContact O-N 3.47Å
1083G89.5Confident94.4Very high11 Ų1120 Ų2011%0.11311%0.11CC..THydrogen-bonded Turntrans59.413.6-178.400000115.1A1079 A1080 V1085A1079-G1083 PolarHBondContact O-N 3.15Å; A1080-G1083 PolarHBondContact O-N 3.27Å; G1083-V1085 PolarHBondContact O-N 2.95Å
1084N89.7Confident94.2Very high34 Ų3420.6 Ų20.618%0.18211%0.113CC..  trans-84.782.7-162.2-166.3-51.9000111.3A1079 C1082 P1086 L1087 A1088A1079-N1084 PolarHBondContact O-N 3.33Å; C1082-N1084 HydrophobicContact CB-CB 4.45Å; C1082-N1084 PolarHBondContact O-N 3.47Å; N1084-P1086 WeakPolarHBondContact OD1-CD 3.38Å; N1084-L1087 HydrophobicContact CB-CB 4.25Å; N1084-L1087 HydrophobicContact CB-CD1 4.27Å; N1084-L1087 PolarHBondContact O-N 3.4Å; N1084-L1087 VanDerWaalsContact O-N 3.14Å; N1084-L1087 WeakPolarHBondContact OD1-CB 3.45Å; N1084-L1087 WeakPolarHBondContact OD1-CG 3.46Å; N1084-L1087 PolarHBondContact OD1-N 3.39Å; N1084-A1088 PolarHBondContact O-N 2.82Å
1085V92.7Very high94Very high12 Ų1220.1 Ų20.17%0.07311%0.11CC..Hα-helixtrans-54.5-40.3-178.6-1560000113.5G1083 A1088 K1089 E1121 C1122 Y1125G1083-V1085 PolarHBondContact O-N 2.95Å; V1085-A1088 PolarHBondContact O-N 3.32Å; V1085-K1089 HydrophobicContact CG1-CD 4.08Å; V1085-K1089 HydrophobicContact CG1-CG 4.48Å; V1085-K1089 WeakPolarHBondContact O-CB 3.42Å; V1085-K1089 WeakPolarHBondContact O-CD 3.22Å; V1085-K1089 VanDerWaalsContact O-CG 3.29Å; V1085-K1089 WeakPolarHBondContact O-CG 3.46Å; V1085-K1089 PolarHBondContact O-N 3.49Å; V1085-E1121 HydrophobicContact CG2-CB 3.77Å; V1085-C1122 HydrophobicContact CG2-CB 4.01Å; V1085-Y1125 HydrophobicContact CG1-CG 4.17Å
1086P94.4Very high93.9Very high77 Ų7720.1 Ų20.150%0.511%0.11SC..Hα-helixtrans-58.1-47173.6-27.436.3000113.8N1084 K1089 L1090N1084-P1086 WeakPolarHBondContact OD1-CD 3.38Å; P1086-K1089 PolarHBondContact O-N 2.77Å; P1086-L1090 PolarHBondContact O-N 2.82Å
1087L95.2Very high93.8Very high0 Ų020.2 Ų20.20%011%0.111CC..Hα-helixtrans-69.3-40177.4-72.7175.3000112.2V1046 V1051 A1054 A1079 N1084 K1089 L1090 L1091V1046-L1087 HydrophobicContact CB-CD1 4.3Å; V1046-L1087 HydrophobicContact CG1-CD1 4.11Å; V1046-L1087 HydrophobicContact CG2-CD1 4.29Å; V1046-L1087 HydrophobicContact CG2-CD2 4.38Å; V1051-L1087 HydrophobicContact CB-CD2 4.44Å; V1051-L1087 HydrophobicContact CG1-CD2 4.4Å; V1051-L1087 HydrophobicContact CG2-CD2 4.27Å; V1051-L1087 HydrophobicContact CG2-CG 4.23Å; A1054-L1087 HydrophobicContact CB-CD2 3.53Å; A1079-L1087 HydrophobicContact CB-CB 4.03Å; N1084-L1087 HydrophobicContact CB-CB 4.25Å; N1084-L1087 HydrophobicContact CB-CD1 4.27Å; N1084-L1087 PolarHBondContact O-N 3.4Å; N1084-L1087 VanDerWaalsContact O-N 3.14Å; N1084-L1087 WeakPolarHBondContact OD1-CB 3.45Å; N1084-L1087 WeakPolarHBondContact OD1-CG 3.46Å; N1084-L1087 PolarHBondContact OD1-N 3.39Å; L1087-K1089 VanDerWaalsContact C-N 3.3Å; L1087-K1089 PolarHBondContact O-N 3.46Å; L1087-L1090 PolarHBondContact O-N 3.45Å; L1087-L1091 WeakPolarHBondContact O-CB 3.42Å; L1087-L1091 VanDerWaalsContact O-CG 3.28Å; L1087-L1091 WeakPolarHBondContact O-CG 3.44Å; L1087-L1091 PolarHBondContact O-N 3.47Å
1088A95.5Very high93.7Very high0 Ų020.3 Ų20.30%011%0.111CC..Hα-helixtrans-61.6-38.7174.600000111.8L1076 A1079 N1084 V1085 V1092 Y1125L1076-A1088 HydrophobicContact CD1-CB 4.18Å; A1079-A1088 HydrophobicContact CB-CB 4.35Å; N1084-A1088 PolarHBondContact O-N 2.82Å; V1085-A1088 PolarHBondContact O-N 3.32Å; A1088-V1092 WeakPolarHBondContact O-CB 3.21Å; A1088-V1092 VanDerWaalsContact O-CG2 3.23Å; A1088-V1092 WeakPolarHBondContact O-CG2 3.19Å; A1088-V1092 PolarHBondContact O-N 3.37Å; A1088-V1092 VanDerWaalsContact O-N 3.08Å; A1088-Y1125 HydrophobicContact CB-CD1 4.32Å; A1088-Y1125 HydrophobicContact CB-CE1 4.36Å
1089K95.4Very high93.6Very high86 Ų8622 Ų2237%0.37412%0.119SC..Hα-helixtrans-61.5-54.1172.1-79.5162.6179.5157.80111.5V1085 P1086 L1087 L1091 V1092 E1093 Y1125V1085-K1089 HydrophobicContact CG1-CD 4.08Å; V1085-K1089 HydrophobicContact CG1-CG 4.48Å; V1085-K1089 WeakPolarHBondContact O-CB 3.42Å; V1085-K1089 WeakPolarHBondContact O-CD 3.22Å; V1085-K1089 VanDerWaalsContact O-CG 3.29Å; V1085-K1089 WeakPolarHBondContact O-CG 3.46Å; V1085-K1089 PolarHBondContact O-N 3.49Å; P1086-K1089 PolarHBondContact O-N 2.77Å; L1087-K1089 VanDerWaalsContact C-N 3.3Å; L1087-K1089 PolarHBondContact O-N 3.46Å; K1089-L1091 PolarHBondContact O-N 2.82Å; K1089-V1092 PolarHBondContact O-N 2.94Å; K1089-E1093 WeakPolarHBondContact O-CB 3.38Å; K1089-E1093 WeakPolarHBondContact O-CG 3.4Å; K1089-E1093 PolarHBondContact O-N 2.89Å; K1089-Y1125 HydrophobicContact CD-CE2 4.34Å; K1089-Y1125 HydrophobicContact CG-CD1 4.41Å; K1089-Y1125 HydrophobicContact CG-CD2 4.08Å; K1089-Y1125 HydrophobicContact CG-CE1 3.9Å; K1089-Y1125 HydrophobicContact CG-CE2 3.5Å; K1089-Y1125 VanDerWaalsContact CG-CZ 3.43Å
1090L95.7Very high93.5Very high20 Ų2023 Ų2311%0.10513%0.127CC..Hα-helixtrans-52.4-52.2178.3179.7116.4000111.8A1054 E1055 V1058 P1086 L1087 E1093 H1094A1054-L1090 HydrophobicContact CB-CD2 4.35Å; E1055-L1090 HydrophobicContact CB-CD1 4.34Å; E1055-L1090 HydrophobicContact CG-CD1 3.48Å; E1055-L1090 VanDerWaalsContact CG-CD1 3.48Å; V1058-L1090 HydrophobicContact CB-CD2 4.23Å; V1058-L1090 HydrophobicContact CG2-CD2 3.95Å; P1086-L1090 PolarHBondContact O-N 2.82Å; L1087-L1090 PolarHBondContact O-N 3.45Å; L1090-E1093 PolarHBondContact O-N 2.9Å; L1090-H1094 PolarHBondContact O-N 2.81Å; L1090-H1094 PolarHBondContact O-ND1 3.42Å
1091L96.3Very high93.5Very high0 Ų028.3 Ų28.30%015%0.147CC..Hα-helixtrans-64.4-45.3-176.9-68.7168.8000112.2L1042 V1046 V1058 V1065 P1075 L1076 A1079 L1087 K1089 H1094 G1095 A1096L1042-L1091 HydrophobicContact CD2-CD2 4.07Å; V1046-L1091 HydrophobicContact CG2-CD1 4.23Å; V1058-L1091 HydrophobicContact CG2-CD2 4.42Å; V1065-L1091 HydrophobicContact CB-CD2 4.1Å; V1065-L1091 HydrophobicContact CG1-CD2 3.91Å; P1075-L1091 VanDerWaalsContact C-CD1 3.48Å; P1075-L1091 HydrophobicContact CB-CD1 3.85Å; P1075-L1091 HydrophobicContact CB-CD2 3.94Å; P1075-L1091 WeakPolarHBondContact O-CD1 3.36Å; L1076-L1091 HydrophobicContact CB-CD1 4.48Å; L1076-L1091 HydrophobicContact CD1-CB 4.17Å; L1076-L1091 HydrophobicContact CD1-CD1 4.44Å; A1079-L1091 HydrophobicContact CB-CD1 4Å; L1087-L1091 WeakPolarHBondContact O-CB 3.42Å; L1087-L1091 VanDerWaalsContact O-CG 3.28Å; L1087-L1091 WeakPolarHBondContact O-CG 3.44Å; L1087-L1091 PolarHBondContact O-N 3.47Å; K1089-L1091 PolarHBondContact O-N 2.82Å; L1091-H1094 PolarHBondContact O-N 3.38Å; L1091-G1095 PolarHBondContact O-N 2.84Å; L1091-A1096 HydrophobicContact CB-CB 3.98Å; L1091-A1096 WeakPolarHBondContact O-CB 3.2Å; L1091-A1096 PolarHBondContact O-N 2.97Å
1092V95.1Very high93.7Very high0 Ų027.8 Ų27.80%014%0.143CC..Hα-helixtrans-64.6-42.1179.2171.10000111.6L1076 A1088 K1089 H1094 G1095 L1098 Y1125 L1126 Q1129 Y1208L1076-V1092 HydrophobicContact CD1-CG2 3.82Å; L1076-V1092 HydrophobicContact CD2-CG2 3.83Å; A1088-V1092 WeakPolarHBondContact O-CB 3.21Å; A1088-V1092 VanDerWaalsContact O-CG2 3.23Å; A1088-V1092 WeakPolarHBondContact O-CG2 3.19Å; A1088-V1092 PolarHBondContact O-N 3.37Å; A1088-V1092 VanDerWaalsContact O-N 3.08Å; K1089-V1092 PolarHBondContact O-N 2.94Å; V1092-H1094 PolarHBondContact O-N 2.91Å; V1092-G1095 PolarHBondContact O-N 3.49Å; V1092-L1098 HydrophobicContact CG1-CD2 4.11Å; V1092-L1098 HydrophobicContact CG2-CD2 3.63Å; V1092-Y1125 HydrophobicContact CG2-CE1 4.35Å; V1092-L1126 HydrophobicContact CG2-CD2 4.17Å; V1092-Q1129 HydrophobicContact CG1-CG 4.13Å; V1092-Y1208 HydrophobicContact CG1-CD2 3.96Å; V1092-Y1208 HydrophobicContact CG1-CE2 3.86Å; V1092-Y1208 WeakPolarHBondContact O-CD2 3.39Å
1093E93.5Very high93.8Very high93 Ų9332 Ų3244%0.43516%0.162SC..Hα-helixtrans-67.5-15.4179.5-70.5-177.2176.800113.6K1089 L1090 Y1208K1089-E1093 WeakPolarHBondContact O-CB 3.38Å; K1089-E1093 WeakPolarHBondContact O-CG 3.4Å; K1089-E1093 PolarHBondContact O-N 2.89Å; L1090-E1093 PolarHBondContact O-N 2.9Å; E1093-Y1208 HydrophobicContact CG-CE1 4.08Å; E1093-Y1208 HydrophobicContact CG-CE2 4.1Å; E1093-Y1208 WeakPolarHBondContact O-CB 3.23Å
1094H94.2Very high93.8Very high34 Ų3434.9 Ų34.916%0.15718%0.181CC..THydrogen-bonded Turntrans-107.613.1177.2-65.878.5000113.8V1058 L1059 V1065 L1090 L1091 V1092 P1209 L1210 V1211V1058-H1094 HydrophobicContact CG1-CB 3.61Å; L1059-H1094 WeakPolarHBondContact CD2-NE2 3.22Å; V1065-H1094 HydrophobicContact CG1-CB 4.37Å; L1090-H1094 PolarHBondContact O-N 2.81Å; L1090-H1094 PolarHBondContact O-ND1 3.42Å; L1091-H1094 PolarHBondContact O-N 3.38Å; V1092-H1094 PolarHBondContact O-N 2.91Å; H1094-P1209 CarbonylContact C-O 3.45Å; H1094-L1210 WeakPolarHBondContact O-CA 3.44Å; H1094-V1211 HydrophobicContact CB-CB 4.47Å; H1094-V1211 HydrophobicContact CB-CG2 4.47Å; H1094-V1211 PolarHBondContact O-N 3.16Å
1095G92Very high94Very high0 Ų036.8 Ų36.80%019%0.191CC..THydrogen-bonded Turntrans98.122.5170.900000115.8N1066 L1091 V1092 L1144N1066-G1095 PolarHBondContact ND2-O 3.44Å; L1091-G1095 PolarHBondContact O-N 2.84Å; V1092-G1095 PolarHBondContact O-N 3.49Å; G1095-L1144 WeakPolarHBondContact O-CD1 3.08Å; G1095-L1144 WeakPolarHBondContact O-CD2 3.3Å
1096A95Very high94Very high0 Ų042.7 Ų42.70%022%0.218CC..  trans-63.8140170.300000112V1065 N1066 L1076 L1091 L1098V1065-A1096 HydrophobicContact CB-CB 4.42Å; V1065-A1096 HydrophobicContact CG2-CB 4.36Å; N1066-A1096 WeakPolarHBondContact OD1-CA 3.42Å; L1076-A1096 HydrophobicContact CB-CB 4.19Å; L1076-A1096 HydrophobicContact CD2-CB 3.92Å; L1091-A1096 HydrophobicContact CB-CB 3.98Å; L1091-A1096 WeakPolarHBondContact O-CB 3.2Å; L1091-A1096 PolarHBondContact O-N 2.97Å; A1096-L1098 PolarHBondContact O-N 3.4Å
1097S94.1Very high93.9Very high2 Ų242.3 Ų42.31%0.01421%0.21CC..  trans-78.7115.9-179.8-176.40000111.7N1066 H1099 A1100 S1203N1066-S1097 PolarHBondContact OD1-N 3.47Å; S1097-H1099 PolarHBondContact O-N 3.12Å; S1097-A1100 PolarHBondContact O-N 3.4Å; S1097-A1100 PolarHBondContact OG-N 3.43Å; S1097-S1203 PolarHBondContact OG-O 3.06Å
1098L94.2Very high93.8Very high2 Ų242.8 Ų42.81%0.0121%0.213CC..THydrogen-bonded Turntrans-68.5-19177.9-60.3168.9000113.3L1076 V1092 A1096 L1126 Q1129 H1130 L1133L1076-L1098 HydrophobicContact CD2-CD2 4.24Å; V1092-L1098 HydrophobicContact CG1-CD2 4.11Å; V1092-L1098 HydrophobicContact CG2-CD2 3.63Å; A1096-L1098 PolarHBondContact O-N 3.4Å; L1098-L1126 HydrophobicContact CD2-CD2 4.27Å; L1098-Q1129 HydrophobicContact CD1-CB 3.74Å; L1098-Q1129 HydrophobicContact CD2-CB 3.84Å; L1098-Q1129 HydrophobicContact CG-CB 4.48Å; L1098-H1130 PolarHBondContact O-NE2 3.33Å; L1098-L1133 HydrophobicContact CD1-CD1 4.5Å
1099H93.5Very high93.8Very high36 Ų3642.9 Ų42.917%0.16721%0.213CC..THydrogen-bonded Turntrans-121.427.6179.8-5399.5000112.1S1097 H1130 R1202 S1203S1097-H1099 PolarHBondContact O-N 3.12Å; H1099-H1130 AromaticContact CD2-CD2 3.96Å; H1099-H1130 AromaticContact CD2-NE2 3.71Å; H1099-H1130 AromaticContact CE1-CD2 3.72Å; H1099-H1130 AromaticContact NE2-CD2 3.5Å; H1099-H1130 AromaticContact NE2-NE2 3.75Å; H1099-R1202 HydrophobicContact CB-CB 4.45Å; H1099-R1202 PolarHBondContact ND1-O 2.95Å; H1099-S1203 VanDerWaalsContact O-CB 3.22Å; H1099-S1203 WeakPolarHBondContact O-CB 3.31Å
1100A93.5Very high93.7Very high20 Ų2040.1 Ų40.117%0.16520%0.202CC..  trans-57.7151.5156.400000109.2T1074 S1097 T1108 P1109T1074-A1100 HydrophobicContact CG2-CB 4.24Å; S1097-A1100 PolarHBondContact O-N 3.4Å; S1097-A1100 PolarHBondContact OG-N 3.43Å; A1100-T1108 WeakPolarHBondContact O-CA 3.48Å; A1100-P1109 WeakPolarHBondContact O-CD 3.33Å
1101R93.9Very high93.5Very high112 Ų11244 Ų4442%0.42322%0.22SC..  trans-131.7139.8177.5-68.7-175.9-178.7-77.15.5109.8Q1106 E1107 T1108 E1186R1101-Q1106 WeakPolarHBondContact CD-O 3.44Å; R1101-Q1106 WeakPolarHBondContact CG-O 3.41Å; R1101-Q1106 PolarHBondContact NH1-O 3.11Å; R1101-E1107 WeakPolarHBondContact CA-O 3.34Å; R1101-T1108 HydrophobicContact CG-CG2 4.12Å; R1101-E1186 IonicContact CZ-OE1 2.76Å; R1101-E1186 IonicContact NE-OE1 2.71Å; R1101-E1186 PolarHBondContact NE-OE1 3.23Å; R1101-E1186 IonicContact NH2-OE1 3.17Å; R1101-E1186 PolarHBondContact NH2-OE1 2.87Å
1102T94.1Very high93.2Very high3 Ų345.2 Ų45.22%0.01823%0.225CC..  trans-64.4154.2169.5540000112.4W1073 D1105 Q1106 E1107W1073-T1102 HydrophobicContact CD2-CG2 4.32Å; W1073-T1102 HydrophobicContact CG-CG2 4.16Å; T1102-D1105 WeakPolarHBondContact CB-OD1 3.42Å; T1102-D1105 PolarHBondContact OG1-OD1 2.94Å; T1102-Q1106 VanDerWaalsContact O-CA 3.23Å; T1102-Q1106 WeakPolarHBondContact O-CA 3.32Å; T1102-Q1106 PolarHBondContact O-N 3.44Å; T1102-Q1106 VanDerWaalsContact O-N 3.17Å; T1102-Q1106 PolarHBondContact OG1-N 3.41Å; T1102-E1107 PolarHBondContact N-O 2.97Å; T1102-E1107 PolarHBondContact OG1-N 3.05Å; T1102-E1107 PolarHBondContact OG1-O 3.29Å
1103L92.6Very high93Very high129 Ų12945.7 Ų45.768%0.67523%0.229SC*.THydrogen-bonded Turntrans-79.9-28.7176.8-63.9173.8000112.8D1071D1071-L1103 WeakPolarHBondContact O-CB 3.43Å; D1071-L1103 PolarHBondContact O-N 3.28Å
1104S90.3Very high92.1Very high72 Ų7243.8 Ų43.850%0.50322%0.221SC..THydrogen-bonded Turntrans-68.8-46.6-177.239.90000113.8
1105D92.3Very high90.6Very high75 Ų7548.6 Ų48.640%0.40124%0.244SC..THydrogen-bonded Turntrans-135.7-5.5-165.431.222.6000113.5T1102 E1107 K1112T1102-D1105 WeakPolarHBondContact CB-OD1 3.42Å; T1102-D1105 PolarHBondContact OG1-OD1 2.94Å; D1105-E1107 HydrophobicContact CB-CG 4.22Å; D1105-E1107 PolarHBondContact O-N 3.44Å; D1105-K1112 IonicContact OD1-NZ 2.73Å; D1105-K1112 PolarHBondContact OD1-NZ 3.28Å; D1105-K1112 IonicContact OD2-NZ 3.17Å; D1105-K1112 PolarHBondContact OD2-NZ 3.47Å
1106Q92.6Very high89Confident135 Ų13550.8 Ų50.863%0.63127%0.267SS*.  trans63.418.7179.5-55-174.1-12.900114.3R1101 T1102R1101-Q1106 WeakPolarHBondContact CD-O 3.44Å; R1101-Q1106 WeakPolarHBondContact CG-O 3.41Å; R1101-Q1106 PolarHBondContact NH1-O 3.11Å; T1102-Q1106 VanDerWaalsContact O-CA 3.23Å; T1102-Q1106 WeakPolarHBondContact O-CA 3.32Å; T1102-Q1106 PolarHBondContact O-N 3.44Å; T1102-Q1106 VanDerWaalsContact O-N 3.17Å; T1102-Q1106 PolarHBondContact OG1-N 3.41Å
1107E92.6Very high87.1Confident70 Ų7057.3 Ų57.333%0.32730%0.302SS..  trans-80.5144.1179.3-72.1175.1177.200110.9H1077 R1101 T1102 D1105 E1111 K1112H1077-E1107 PolarHBondContact NE2-O 2.97Å; R1101-E1107 WeakPolarHBondContact CA-O 3.34Å; T1102-E1107 PolarHBondContact N-O 2.97Å; T1102-E1107 PolarHBondContact OG1-N 3.05Å; T1102-E1107 PolarHBondContact OG1-O 3.29Å; D1105-E1107 HydrophobicContact CB-CG 4.22Å; D1105-E1107 PolarHBondContact O-N 3.44Å; E1107-E1111 HydrophobicContact CB-CB 3.96Å; E1107-E1111 HydrophobicContact CG-CB 4.2Å; E1107-K1112 HydrophobicContact CB-CD 4.31Å; E1107-K1112 WeakPolarHBondContact OE2-CE 3.28Å; E1107-K1112 IonicContact OE2-NZ 2.74Å; E1107-K1112 PolarHBondContact OE2-NZ 2.98Å
1108T94.6Very high85.3Confident10 Ų1066.7 Ų66.76%0.06135%0.345CS..  trans-86.8168.3175.462.10000111.8A1100 R1101 L1110 E1111 K1112A1100-T1108 WeakPolarHBondContact O-CA 3.48Å; R1101-T1108 HydrophobicContact CG-CG2 4.12Å; T1108-L1110 PolarHBondContact O-N 2.89Å; T1108-E1111 WeakPolarHBondContact CB-OE2 3.44Å; T1108-E1111 WeakPolarHBondContact CG2-OE2 3.48Å; T1108-E1111 PolarHBondContact N-OE2 3.08Å; T1108-E1111 PolarHBondContact O-N 3.31Å; T1108-E1111 PolarHBondContact OG1-OE2 3.3Å; T1108-K1112 PolarHBondContact O-N 3.42Å; T1108-K1112 VanDerWaalsContact O-N 3.14Å
1109P93.7Very high83.4Confident1 Ų168.9 Ų68.91%0.00636%0.355CS..THydrogen-bonded Turntrans-56.4-34.6177-26.935000114L1076 H1077 A1080 A1100 E1111 K1112 L1126L1076-P1109 HydrophobicContact CB-CB 4.45Å; L1076-P1109 HydrophobicContact CB-CG 4.27Å; L1076-P1109 HydrophobicContact CD2-CB 4.17Å; L1076-P1109 HydrophobicContact CD2-CG 4.03Å; L1076-P1109 HydrophobicContact CG-CB 3.84Å; L1076-P1109 HydrophobicContact CG-CG 4Å; H1077-P1109 WeakPolarHBondContact NE2-CD 3.44Å; A1080-P1109 HydrophobicContact CB-CB 4.37Å; A1080-P1109 WeakPolarHBondContact CB-O 3.19Å; A1100-P1109 WeakPolarHBondContact O-CD 3.33Å; P1109-E1111 VanDerWaalsContact C-N 3.35Å; P1109-K1112 PolarHBondContact O-N 2.94Å; P1109-L1126 HydrophobicContact CB-CD1 4.3Å
1110L93.5Very high82.5Confident28 Ų2869.9 Ų69.915%0.14737%0.37CS..THydrogen-bonded Turntrans-63.2-41.5174.7175.463.4000111.8T1108 K1112 C1113 E1123 L1126 Y1127 H1130T1108-L1110 PolarHBondContact O-N 2.89Å; L1110-K1112 PolarHBondContact O-N 3.47Å; L1110-C1113 WeakPolarHBondContact O-CB 3.35Å; L1110-C1113 PolarHBondContact O-N 3.05Å; L1110-C1113 VanDerWaalsContact O-N 3.15Å; L1110-E1123 HydrophobicContact CD1-CB 4.39Å; L1110-E1123 HydrophobicContact CD1-CG 3.67Å; L1110-E1123 WeakPolarHBondContact CD1-O 3.37Å; L1110-L1126 HydrophobicContact CB-CB 4.3Å; L1110-L1126 HydrophobicContact CD1-CB 3.92Å; L1110-Y1127 HydrophobicContact CD2-CD2 4.06Å; L1110-H1130 VanDerWaalsContact CD2-ND1 3.33Å; L1110-H1130 WeakPolarHBondContact CD2-ND1 3.16Å
1111E92Very high82.2Confident103 Ų10375.3 Ų75.348%0.48139%0.392SS..THydrogen-bonded Turntrans-72-15.4179.4-68.2159.7132.300112.2E1107 T1108 P1109E1107-E1111 HydrophobicContact CB-CB 3.96Å; E1107-E1111 HydrophobicContact CG-CB 4.2Å; T1108-E1111 WeakPolarHBondContact CB-OE2 3.44Å; T1108-E1111 WeakPolarHBondContact CG2-OE2 3.48Å; T1108-E1111 PolarHBondContact N-OE2 3.08Å; T1108-E1111 PolarHBondContact O-N 3.31Å; T1108-E1111 PolarHBondContact OG1-OE2 3.3Å; P1109-E1111 VanDerWaalsContact C-N 3.35Å
1112K91Very high82Confident25 Ų2570 Ų7011%0.10937%0.372CS..THydrogen-bonded Turntrans-85.6-5.2170-63.7-53.8-170.9-169.40114.6W1073 A1080 S1081 D1105 E1107 T1108 P1109 L1110W1073-K1112 HydrophobicContact CH2-CD 3.91Å; W1073-K1112 HydrophobicContact CH2-CG 4.26Å; W1073-K1112 HydrophobicContact CZ2-CD 4.12Å; W1073-K1112 HydrophobicContact CZ3-CG 4.45Å; A1080-K1112 HydrophobicContact CB-CB 4.48Å; S1081-K1112 WeakPolarHBondContact CA-O 3.44Å; D1105-K1112 IonicContact OD1-NZ 2.73Å; D1105-K1112 PolarHBondContact OD1-NZ 3.28Å; D1105-K1112 IonicContact OD2-NZ 3.17Å; D1105-K1112 PolarHBondContact OD2-NZ 3.47Å; E1107-K1112 HydrophobicContact CB-CD 4.31Å; E1107-K1112 WeakPolarHBondContact OE2-CE 3.28Å; E1107-K1112 IonicContact OE2-NZ 2.74Å; E1107-K1112 PolarHBondContact OE2-NZ 2.98Å; T1108-K1112 PolarHBondContact O-N 3.42Å; T1108-K1112 VanDerWaalsContact O-N 3.14Å; P1109-K1112 PolarHBondContact O-N 2.94Å; L1110-K1112 PolarHBondContact O-N 3.47Å
1113C90.2Very high81.9Confident10 Ų1073.7 Ų73.77%0.06839%0.389CS..SBendtrans-66.7131.6168.3-72.40000110.1L1110 E1123L1110-C1113 WeakPolarHBondContact O-CB 3.35Å; L1110-C1113 PolarHBondContact O-N 3.05Å; L1110-C1113 VanDerWaalsContact O-N 3.15Å; C1113-E1123 HydrophobicContact CB-CB 4.03Å; C1113-E1123 HydrophobicContact CB-CG 4.38Å
1114D74.3Confident81.8Confident53 Ų5374.6 Ų74.628%0.28339%0.39SS..  trans-79.9135.2-179.4-179.178.8000112.5R673 G1116R673-D1114 WeakPolarHBondContact CD-OD2 3.47Å; R673-D1114 IonicContact CZ-OD2 2.66Å; R673-D1114 IonicContact NE-OD2 3.65Å; R673-D1114 IonicContact NH1-OD2 2.89Å; R673-D1114 PolarHBondContact NH1-OD2 3.39Å; D1114-G1116 PolarHBondContact O-N 3.3Å; D1114-G1116 VanDerWaalsContact O-N 3.14Å; D1114-G1116 VanDerWaalsContact OD2-CA 3.28Å; D1114-G1116 WeakPolarHBondContact OD2-CA 3.37Å; D1114-G1116 PolarHBondContact OD2-N 2.8Å
1115Q63.8Low82Confident134 Ų13472.3 Ų72.363%0.62637%0.37SS*.  trans-84.821.8-172.9-62171.36.800112.9
1116G57.3Low82Confident47 Ų4768.9 Ų68.949%0.48535%0.352SS..SBendtrans-104.729.9-163.500000117D1114D1114-G1116 PolarHBondContact O-N 3.3Å; D1114-G1116 VanDerWaalsContact O-N 3.14Å; D1114-G1116 VanDerWaalsContact OD2-CA 3.28Å; D1114-G1116 WeakPolarHBondContact OD2-CA 3.37Å; D1114-G1116 PolarHBondContact OD2-N 2.8Å
1117D56.1Low82Confident137 Ų13768.6 Ų68.673%0.73335%0.346SS*.SBendtrans65.1167.9-178-70.5-47.7000115.7E1119D1117-E1119 PolarHBondContact O-N 2.89Å
1118E54.7Low82Confident198 Ų19870.6 Ų70.693%0.92535%0.354SS*.SBendtrans58.3-28.3-167.1-66.4-173-172.100117.1
1119E55.2Low81.9Confident48 Ų4870.3 Ų70.322%0.22435%0.352CS..  trans-101.57.3-173.9-75.9169.8-172.100115.5R673 D1117 E1121 C1122R673-E1119 IonicContact CZ-OE1 3.13Å; R673-E1119 IonicContact CZ-OE2 2.71Å; R673-E1119 IonicContact NE-OE2 3.58Å; R673-E1119 IonicContact NH1-OE2 2.97Å; R673-E1119 PolarHBondContact NH1-OE2 3.37Å; R673-E1119 IonicContact NH2-OE1 2.71Å; R673-E1119 PolarHBondContact NH2-OE1 3.25Å; R673-E1119 IonicContact NH2-OE2 3.32Å; R673-E1119 PolarHBondContact NH2-OE2 3.46Å; D1117-E1119 PolarHBondContact O-N 2.89Å; E1119-E1121 PolarHBondContact O-N 2.92Å; E1119-C1122 PolarHBondContact O-N 3.47Å
1120A74.2Confident81.7Confident58 Ų5871.8 Ų71.848%0.47936%0.359SS..Hα-helixtrans-57.9-19.6-179.800000114.2C1122 E1123 E1124A1120-C1122 PolarHBondContact O-N 3.41Å; A1120-E1123 PolarHBondContact O-N 3.45Å; A1120-E1124 WeakPolarHBondContact O-CB 3.39Å; A1120-E1124 PolarHBondContact O-N 3.22Å
1121E87Confident81.5Confident133 Ų13375.7 Ų75.762%0.62138%0.376SS*.Hα-helixtrans-59.5-31.2171.7-65.8-165.3-175.400113.2V1085 E1119 Y1125V1085-E1121 HydrophobicContact CG2-CB 3.77Å; E1119-E1121 PolarHBondContact O-N 2.92Å; E1121-Y1125 WeakPolarHBondContact O-CB 3.45Å; E1121-Y1125 PolarHBondContact O-N 3.44Å
1122C89.9Confident81.2Confident0 Ų074.2 Ų74.20%037%0.366CS..Hα-helixtrans-77.2-38.8178.7-164.50000111.4V1085 E1119 A1120 L1126V1085-C1122 HydrophobicContact CG2-CB 4.01Å; E1119-C1122 PolarHBondContact O-N 3.47Å; A1120-C1122 PolarHBondContact O-N 3.41Å; C1122-L1126 WeakPolarHBondContact O-CB 3.37Å; C1122-L1126 WeakPolarHBondContact O-CG 3.34Å; C1122-L1126 PolarHBondContact O-N 2.88Å
1123E91.4Very high81.1Confident81 Ų8173.1 Ų73.138%0.37936%0.361SS..Hα-helixtrans-63.2-50.5171.9-166.6-172.9165.100110.7L1110 C1113 A1120 Y1125 L1126 Y1127L1110-E1123 HydrophobicContact CD1-CB 4.39Å; L1110-E1123 HydrophobicContact CD1-CG 3.67Å; L1110-E1123 WeakPolarHBondContact CD1-O 3.37Å; C1113-E1123 HydrophobicContact CB-CB 4.03Å; C1113-E1123 HydrophobicContact CB-CG 4.38Å; A1120-E1123 PolarHBondContact O-N 3.45Å; E1123-Y1125 VanDerWaalsContact C-N 3.33Å; E1123-Y1125 PolarHBondContact O-N 3.34Å; E1123-L1126 PolarHBondContact O-N 3.29Å; E1123-Y1127 WeakPolarHBondContact O-CB 3.33Å; E1123-Y1127 PolarHBondContact O-N 2.99Å
1124E91.1Very high80.7Confident148 Ų14873 Ų7369%0.69236%0.361SS*.Hα-helixtrans-59.9-42.1177-175.7174.6-170.900111.6A1120 F1128A1120-E1124 WeakPolarHBondContact O-CB 3.39Å; A1120-E1124 PolarHBondContact O-N 3.22Å; E1124-F1128 VanDerWaalsContact O-CB 3.23Å; E1124-F1128 WeakPolarHBondContact O-CB 3.31Å; E1124-F1128 PolarHBondContact O-N 2.67Å
1125Y93.9Very high81.1Confident25 Ų2574 Ų7410%0.09837%0.373CS..Hα-helixtrans-61.5-51.7176.2175.9-101.9000112.1V1085 A1088 K1089 V1092 E1121 E1123 F1128 Q1129V1085-Y1125 HydrophobicContact CG1-CG 4.17Å; A1088-Y1125 HydrophobicContact CB-CD1 4.32Å; A1088-Y1125 HydrophobicContact CB-CE1 4.36Å; K1089-Y1125 HydrophobicContact CD-CE2 4.34Å; K1089-Y1125 HydrophobicContact CG-CD1 4.41Å; K1089-Y1125 HydrophobicContact CG-CD2 4.08Å; K1089-Y1125 HydrophobicContact CG-CE1 3.9Å; K1089-Y1125 HydrophobicContact CG-CE2 3.5Å; K1089-Y1125 VanDerWaalsContact CG-CZ 3.43Å; V1092-Y1125 HydrophobicContact CG2-CE1 4.35Å; E1121-Y1125 WeakPolarHBondContact O-CB 3.45Å; E1121-Y1125 PolarHBondContact O-N 3.44Å; E1123-Y1125 VanDerWaalsContact C-N 3.33Å; E1123-Y1125 PolarHBondContact O-N 3.34Å; Y1125-F1128 PolarHBondContact O-N 3.36Å; Y1125-Q1129 HydrophobicContact CD1-CG 4.48Å; Y1125-Q1129 HydrophobicContact CE1-CG 3.97Å; Y1125-Q1129 HydrophobicContact CE2-CG 4.1Å; Y1125-Q1129 WeakPolarHBondContact O-CG 3.38Å; Y1125-Q1129 PolarHBondContact O-N 3Å; Y1125-Q1129 PolarHBondContact OH-NE2 3.08Å
1126L93.4Very high81.6Confident3 Ų369.4 Ų69.42%0.01636%0.358CS..Hα-helixtrans-68.5-38.6-177.6-69.5179.2000112.1L1076 A1080 V1092 L1098 P1109 L1110 C1122 E1123 F1128 Q1129 H1130L1076-L1126 HydrophobicContact CD1-CD2 4.2Å; A1080-L1126 HydrophobicContact CB-CD1 3.83Å; V1092-L1126 HydrophobicContact CG2-CD2 4.17Å; L1098-L1126 HydrophobicContact CD2-CD2 4.27Å; P1109-L1126 HydrophobicContact CB-CD1 4.3Å; L1110-L1126 HydrophobicContact CB-CB 4.3Å; L1110-L1126 HydrophobicContact CD1-CB 3.92Å; C1122-L1126 WeakPolarHBondContact O-CB 3.37Å; C1122-L1126 WeakPolarHBondContact O-CG 3.34Å; C1122-L1126 PolarHBondContact O-N 2.88Å; E1123-L1126 PolarHBondContact O-N 3.29Å; L1126-F1128 VanDerWaalsContact C-N 3.35Å; L1126-F1128 PolarHBondContact O-N 2.85Å; L1126-Q1129 PolarHBondContact O-N 3.32Å; L1126-Q1129 VanDerWaalsContact O-N 3.12Å; L1126-H1130 PolarHBondContact O-N 3.06Å
1127Y92.3Very high82.6Confident129 Ų12970.4 Ų70.451%0.50636%0.362SS..Hα-helixtrans-59.6-44.4172.4-175.6-93000111.6L1110 E1123 Q1129 H1130 E1131L1110-Y1127 HydrophobicContact CD2-CD2 4.06Å; E1123-Y1127 WeakPolarHBondContact O-CB 3.33Å; E1123-Y1127 PolarHBondContact O-N 2.99Å; Y1127-Q1129 VanDerWaalsContact C-N 3.32Å; Y1127-Q1129 PolarHBondContact O-N 2.87Å; Y1127-H1130 WeakPolarHBondContact O-CB 3.17Å; Y1127-H1130 PolarHBondContact O-N 3.3Å; Y1127-E1131 HydrophobicContact CD1-CG 4.24Å; Y1127-E1131 HydrophobicContact CE1-CG 3.77Å; Y1127-E1131 PolarHBondContact O-N 3.33Å
1128F92.5Very high83.7Confident111 Ų11166.9 Ų66.949%0.48735%0.347SS..Hα-helixtrans-61.1-38.3173.9174.5-103.2000112.1E1124 Y1125 L1126 E1131 R1132E1124-F1128 VanDerWaalsContact O-CB 3.23Å; E1124-F1128 WeakPolarHBondContact O-CB 3.31Å; E1124-F1128 PolarHBondContact O-N 2.67Å; Y1125-F1128 PolarHBondContact O-N 3.36Å; L1126-F1128 VanDerWaalsContact C-N 3.35Å; L1126-F1128 PolarHBondContact O-N 2.85Å; F1128-E1131 PolarHBondContact O-N 2.9Å; F1128-R1132 WeakPolarHBondContact O-CB 3.44Å; F1128-R1132 PolarHBondContact O-N 3.17Å
1129Q92.7Very high85.2Confident5 Ų557.6 Ų57.62%0.02331%0.305CS..Hα-helixtrans-68.6-35.6174.8-59.1-57.7-30.800112.6V1092 L1098 Y1125 L1126 Y1127 R1132 L1133V1092-Q1129 HydrophobicContact CG1-CG 4.13Å; L1098-Q1129 HydrophobicContact CD1-CB 3.74Å; L1098-Q1129 HydrophobicContact CD2-CB 3.84Å; L1098-Q1129 HydrophobicContact CG-CB 4.48Å; Y1125-Q1129 HydrophobicContact CD1-CG 4.48Å; Y1125-Q1129 HydrophobicContact CE1-CG 3.97Å; Y1125-Q1129 HydrophobicContact CE2-CG 4.1Å; Y1125-Q1129 WeakPolarHBondContact O-CG 3.38Å; Y1125-Q1129 PolarHBondContact O-N 3Å; Y1125-Q1129 PolarHBondContact OH-NE2 3.08Å; L1126-Q1129 PolarHBondContact O-N 3.32Å; L1126-Q1129 VanDerWaalsContact O-N 3.12Å; Y1127-Q1129 VanDerWaalsContact C-N 3.32Å; Y1127-Q1129 PolarHBondContact O-N 2.87Å; Q1129-R1132 PolarHBondContact O-N 3.13Å; Q1129-L1133 PolarHBondContact O-N 2.9Å; Q1129-L1133 VanDerWaalsContact O-N 3.07Å
1130H90.2Very high87Confident32 Ų3260.7 Ų60.715%0.14832%0.315CS..Hα-helixtrans-61.7-50.6169.9-76.1161.9000111.7L1098 H1099 L1110 L1126 Y1127 R1132 L1133 R1179L1098-H1130 PolarHBondContact O-NE2 3.33Å; H1099-H1130 AromaticContact CD2-CD2 3.96Å; H1099-H1130 AromaticContact CD2-NE2 3.71Å; H1099-H1130 AromaticContact CE1-CD2 3.72Å; H1099-H1130 AromaticContact NE2-CD2 3.5Å; H1099-H1130 AromaticContact NE2-NE2 3.75Å; L1110-H1130 VanDerWaalsContact CD2-ND1 3.33Å; L1110-H1130 WeakPolarHBondContact CD2-ND1 3.16Å; L1126-H1130 PolarHBondContact O-N 3.06Å; Y1127-H1130 WeakPolarHBondContact O-CB 3.17Å; Y1127-H1130 PolarHBondContact O-N 3.3Å; H1130-R1132 PolarHBondContact O-N 3.4Å; H1130-L1133 PolarHBondContact O-N 3.31Å; H1130-R1179 PolarHBondContact O-NH2 3.27Å
1131E87.9Confident87.9Confident109 Ų10958 Ų5851%0.50929%0.292SS..Hα-helixtrans-60.3-34.8176.5-78-149.2131.700112.2Y1127 F1128 R1179Y1127-E1131 HydrophobicContact CD1-CG 4.24Å; Y1127-E1131 HydrophobicContact CE1-CG 3.77Å; Y1127-E1131 PolarHBondContact O-N 3.33Å; F1128-E1131 PolarHBondContact O-N 2.9Å; E1131-R1179 PolarHBondContact O-NH1 3.36Å; E1131-R1179 PolarHBondContact O-NH2 3.46Å
1132R87.3Confident88.2Confident72 Ų7255.1 Ų55.127%0.27228%0.276SS..Hα-helixtrans-70.7-34-179.9-175.3-179150.5164-11.7113.4F1128 Q1129 H1130 G1134 S1135 A1136 Y1208F1128-R1132 WeakPolarHBondContact O-CB 3.44Å; F1128-R1132 PolarHBondContact O-N 3.17Å; Q1129-R1132 PolarHBondContact O-N 3.13Å; H1130-R1132 PolarHBondContact O-N 3.4Å; R1132-G1134 PolarHBondContact O-N 2.87Å; R1132-G1134 VanDerWaalsContact O-N 3.16Å; R1132-S1135 PolarHBondContact O-N 3.47Å; R1132-A1136 HydrophobicContact CG-CB 3.42Å; R1132-A1136 VanDerWaalsContact CG-CB 3.42Å; R1132-A1136 PolarHBondContact O-N 3.24Å; R1132-Y1208 VanDerWaalsContact CZ-OH 3.31Å; R1132-Y1208 PolarHBondContact NH1-OH 2.82Å; R1132-Y1208 PolarHBondContact NH2-OH 3.45Å
1133L88Confident88.4Confident2 Ų255.1 Ų55.11%0.0128%0.276CS..THydrogen-bonded Turntrans-61.9109.8-173.6-170.474000112.6L1098 Q1129 H1130 S1135 V1141 R1179 I1205 S1206L1098-L1133 HydrophobicContact CD1-CD1 4.5Å; Q1129-L1133 PolarHBondContact O-N 2.9Å; Q1129-L1133 VanDerWaalsContact O-N 3.07Å; H1130-L1133 PolarHBondContact O-N 3.31Å; L1133-S1135 VanDerWaalsContact C-N 3.35Å; L1133-V1141 HydrophobicContact CD1-CG1 4.04Å; L1133-R1179 PolarHBondContact O-NE 2.94Å; L1133-R1179 PolarHBondContact O-NH2 3.24Å; L1133-I1205 HydrophobicContact CD1-CD1 3.77Å; L1133-I1205 HydrophobicContact CD1-CG1 4.39Å; L1133-I1205 HydrophobicContact CD2-CD1 3.8Å; L1133-I1205 HydrophobicContact CD2-CG1 4.14Å; L1133-I1205 HydrophobicContact CG-CD1 3.72Å; L1133-S1206 VanDerWaalsContact CD1-C 3.5Å
1134G81.3Confident88.4Confident7 Ų751.4 Ų51.47%0.07226%0.259CS..THydrogen-bonded Turntrans81.65.4-177.500000115.2R1132R1132-G1134 PolarHBondContact O-N 2.87Å; R1132-G1134 VanDerWaalsContact O-N 3.16Å
1135S82.9Confident88.3Confident75 Ų7547.4 Ų47.452%0.52424%0.239SC..THydrogen-bonded Turntrans-117.3-33.4168.5-77.90000113.8R1132 L1133 R1179R1132-S1135 PolarHBondContact O-N 3.47Å; L1133-S1135 VanDerWaalsContact C-N 3.35Å; S1135-R1179 WeakPolarHBondContact OG-CD 3.41Å; S1135-R1179 PolarHBondContact OG-NH1 3.24Å
1136A75.5Confident88Confident37 Ų3748.4 Ų48.431%0.30625%0.249SC..G310 helixtrans-77.1168.9173.200000112.6R1132 S1138 G1139R1132-A1136 HydrophobicContact CG-CB 3.42Å; R1132-A1136 VanDerWaalsContact CG-CB 3.42Å; R1132-A1136 PolarHBondContact O-N 3.24Å; A1136-S1138 PolarHBondContact O-N 3.31Å; A1136-G1139 PolarHBondContact O-N 3.43Å
1137A76.7Confident87.6Confident69 Ų6949.7 Ų49.757%0.5725%0.254SS*.G310 helixtrans5130178.600000114.6R1140A1137-R1140 HydrophobicContact CB-CB 4.08Å; A1137-R1140 WeakPolarHBondContact O-CB 3.46Å; A1137-R1140 WeakPolarHBondContact O-CD 3.4Å; A1137-R1140 VanDerWaalsContact O-CG 3.25Å; A1137-R1140 WeakPolarHBondContact O-CG 3.44Å
1138S80.7Confident87Confident62 Ų6243.7 Ų43.743%0.43423%0.231SC..G310 helixtrans60.641.4-171.3-56.50000114.4A1136 R1140 T1175 Q1279A1136-S1138 PolarHBondContact O-N 3.31Å; S1138-R1140 VanDerWaalsContact C-N 3.29Å; S1138-R1140 PolarHBondContact O-N 3.03Å; S1138-T1175 WeakPolarHBondContact O-CG2 3.44Å; S1138-Q1279 PolarHBondContact OG-NE2 2.72Å
1139G86.1Confident86Confident4 Ų443.9 Ų43.94%0.04124%0.236CC..G310 helixtrans80.94.6178.900000114.3A1136 I1176A1136-G1139 PolarHBondContact O-N 3.43Å; G1139-I1176 PolarHBondContact O-N 2.85Å
1140R91.4Very high85Confident113 Ų11351.3 Ų51.343%0.42627%0.271SS..EExtended strand (participates in β ladder)trans-70131.7-176.9-73.6176.4-177.1173-1112.5A1137 S1138 L1173 L1174A1137-R1140 HydrophobicContact CB-CB 4.08Å; A1137-R1140 WeakPolarHBondContact O-CB 3.46Å; A1137-R1140 WeakPolarHBondContact O-CD 3.4Å; A1137-R1140 VanDerWaalsContact O-CG 3.25Å; A1137-R1140 WeakPolarHBondContact O-CG 3.44Å; S1138-R1140 VanDerWaalsContact C-N 3.29Å; S1138-R1140 PolarHBondContact O-N 3.03Å; R1140-L1173 HydrophobicContact CB-CD1 4.14Å; R1140-L1173 HydrophobicContact CG-CD1 4.33Å; R1140-L1174 WeakPolarHBondContact CA-O 3.48Å
1141V93.7Very high84.2Confident0 Ų051.3 Ų51.30%028%0.276CS..EExtended strand (participates in β ladder)trans-145160.3179.1-600000109.5L1133 L1174 I1176 I1205 S1206L1133-V1141 HydrophobicContact CD1-CG1 4.04Å; V1141-L1174 HydrophobicContact CG2-CB 3.88Å; V1141-L1174 HydrophobicContact CG2-CD1 4.46Å; V1141-L1174 PolarHBondContact N-O 3.43Å; V1141-L1174 PolarHBondContact O-N 3.32Å; V1141-I1176 HydrophobicContact CG1-CG1 4.04Å; V1141-I1176 HydrophobicContact CG2-CD1 3.82Å; V1141-I1176 HydrophobicContact CG2-CG1 3.83Å; V1141-I1205 HydrophobicContact CB-CB 4.4Å; V1141-I1205 HydrophobicContact CB-CD1 3.77Å; V1141-I1205 HydrophobicContact CG1-CD1 3.74Å; V1141-I1205 HydrophobicContact CG2-CB 4.27Å; V1141-I1205 HydrophobicContact CG2-CD1 3.71Å; V1141-I1205 HydrophobicContact CG2-CG2 4.35Å; V1141-S1206 CarbonylContact C-O 3.57Å; V1141-S1206 VanDerWaalsContact CA-O 3.31Å; V1141-S1206 WeakPolarHBondContact CA-O 3.43Å; V1141-S1206 WeakPolarHBondContact CB-O 3.41Å
1142Y93.4Very high83.4Confident73 Ų7347.2 Ų47.229%0.28626%0.261SS..EExtended strand (participates in β ladder)trans-111.8138.4176.7-58.7-91.1000109.9E1172 L1173 I1205 S1206 Y1208 P1209Y1142-E1172 WeakPolarHBondContact CA-O 3.23Å; Y1142-L1173 HydrophobicContact CD1-CD1 4.21Å; Y1142-L1173 HydrophobicContact CE1-CB 4.48Å; Y1142-L1173 HydrophobicContact CE1-CD1 3.8Å; Y1142-I1205 CarbonylContact O-C 3.41Å; Y1142-I1205 WeakPolarHBondContact O-CA 3.47Å; Y1142-S1206 PolarHBondContact N-O 3.13Å; Y1142-S1206 PolarHBondContact O-N 2.94Å; Y1142-Y1208 VanDerWaalsContact CD2-C 3.4Å; Y1142-P1209 HydrophobicContact CD1-CB 4Å; Y1142-P1209 HydrophobicContact CD2-CB 4.43Å; Y1142-P1209 HydrophobicContact CE1-CB 4.27Å; Y1142-P1209 HydrophobicContact CG-CB 4.08Å
1143A93.2Very high82.6Confident0 Ų044.9 Ų44.90%026%0.26CS..EExtended strand (participates in β ladder)trans-71.3132.6169.300000110.8L1168 K1169 N1171 E1172 L1174 H1204A1143-L1168 HydrophobicContact CB-CB 4.08Å; A1143-L1168 HydrophobicContact CB-CD1 4.3Å; A1143-L1168 HydrophobicContact CB-CD2 4.32Å; A1143-L1168 HydrophobicContact CB-CG 4.48Å; A1143-K1169 WeakPolarHBondContact CB-O 3.45Å; A1143-N1171 WeakPolarHBondContact O-CA 3.44Å; A1143-N1171 PolarHBondContact O-N 3.39Å; A1143-E1172 HydrophobicContact CB-CB 4.39Å; A1143-E1172 PolarHBondContact N-O 3.47Å; A1143-L1174 HydrophobicContact CB-CD1 4.41Å; A1143-H1204 WeakPolarHBondContact CA-O 2.96Å
1144L91.2Very high81.4Confident3 Ų350.6 Ų50.62%0.01630%0.296CS..  trans-91.4-40.6-179.4-63-178.7000112.5G1095 H1204 L1210G1095-L1144 WeakPolarHBondContact O-CD1 3.08Å; G1095-L1144 WeakPolarHBondContact O-CD2 3.3Å; L1144-H1204 PolarHBondContact N-O 3.41Å; L1144-L1210 HydrophobicContact CD2-CB 4.32Å
1145F89.8Confident80.7Confident64 Ų6454.1 Ų54.128%0.28133%0.333SS..SBendtrans-119.8148.6-171.8-52.5-59.6000111N1066 H1204N1066-F1145 HydrophobicContact CB-CE1 3.93Å; N1066-F1145 HydrophobicContact CB-CZ 3.85Å; F1145-H1204 HydrophobicContact CD2-CB 4.39Å; F1145-H1204 AromaticContact CD2-CG 3.99Å
1146P87.6Confident80.2Confident46 Ų4652.6 Ų52.630%0.29932%0.322SS..  trans-71.2136.4175.729.8-32.7000110.9A1151 A1152 L1168 P1170P1146-A1151 HydrophobicContact CB-CB 3.82Å; P1146-A1151 WeakPolarHBondContact CB-O 3.5Å; P1146-A1152 HydrophobicContact CB-CB 4.32Å; P1146-L1168 CarbonylContact C-O 3.56Å; P1146-L1168 WeakPolarHBondContact CA-O 3.47Å; P1146-P1170 HydrophobicContact CB-CG 4.03Å; P1146-P1170 HydrophobicContact CG-CG 4.38Å
1147R85.6Confident80.1Confident30 Ų3057.7 Ų57.711%0.11334%0.343CS..BIsolated β-bridgetrans-138.4132.6175.4-159.6169.617472.610.5110.6D1158 L1161 E1165 P1167 L1168R1147-D1158 HydrophobicContact CG-CB 4.45Å; R1147-D1158 IonicContact NH1-OD1 3.59Å; R1147-D1158 PolarHBondContact NH1-OD1 3.24Å; R1147-L1161 HydrophobicContact CG-CD1 3.88Å; R1147-E1165 IonicContact CZ-OE2 3.88Å; R1147-E1165 IonicContact NE-OE2 2.63Å; R1147-E1165 PolarHBondContact NE-OE2 3.08Å; R1147-E1165 IonicContact NH2-OE1 2.73Å; R1147-E1165 PolarHBondContact NH2-OE1 3.49Å; R1147-E1165 IonicContact NH2-OE2 2.68Å; R1147-E1165 PolarHBondContact NH2-OE2 3.47Å; R1147-P1167 WeakPolarHBondContact O-CA 3.04Å; R1147-L1168 HydrophobicContact CB-CB 3.9Å; R1147-L1168 HydrophobicContact CB-CD1 4.32Å; R1147-L1168 HydrophobicContact CB-CG 4.15Å; R1147-L1168 PolarHBondContact N-O 3.19Å; R1147-L1168 PolarHBondContact O-N 3.3Å
1148G78.7Confident80.3Confident3 Ų356.7 Ų56.73%0.03133%0.328CS..SBendtrans97.8154.7-175.500000114.2E1150 A1151 A1152 D1158G1148-E1150 PolarHBondContact O-N 3.03Å; G1148-E1150 VanDerWaalsContact O-N 3.09Å; G1148-A1151 PolarHBondContact O-N 3.04Å; G1148-A1152 PolarHBondContact O-N 3.16Å; G1148-D1158 PolarHBondContact N-O 3.09Å
1149I72.6Confident80Confident116 Ų11654 Ų5460%0.59531%0.31SS*.Hα-helixtrans-51.1-37.4-173.3-51.1-179.2000112.6G1153 A1159I1149-G1153 VanDerWaalsContact O-CA 3.3Å; I1149-G1153 WeakPolarHBondContact O-CA 3.37Å; I1149-G1153 PolarHBondContact O-N 3.31Å; I1149-A1159 HydrophobicContact CG1-CB 4.31Å; I1149-A1159 WeakPolarHBondContact CG1-O 3.45Å; I1149-A1159 PolarHBondContact N-O 3.35Å
1150E71.1Confident79.6Confident161 Ų16161 Ų6175%0.75234%0.341SS*.Hα-helixtrans-69.7-28.1179.6-63.2-169.1178.300114.4G1148 K1169G1148-E1150 PolarHBondContact O-N 3.03Å; G1148-E1150 VanDerWaalsContact O-N 3.09Å; E1150-K1169 IonicContact OE2-NZ 3.77Å; E1150-K1169 PolarHBondContact OE2-NZ 2.92Å; E1150-K1169 VanDerWaalsContact OE2-NZ 3.15Å
1151A72.7Confident79.2Confident32 Ų3258.2 Ų58.226%0.26433%0.334SS..Hα-helixtrans-108.3-43.5-172.900000112.4P1146 G1148 L1168 K1169P1146-A1151 HydrophobicContact CB-CB 3.82Å; P1146-A1151 WeakPolarHBondContact CB-O 3.5Å; G1148-A1151 PolarHBondContact O-N 3.04Å; A1151-L1168 WeakPolarHBondContact CB-O 3.03Å; A1151-K1169 HydrophobicContact CB-CG 3.94Å
1152A72.5Confident78.8Confident22 Ų2264.3 Ų64.318%0.18236%0.363CS..Hα-helixtrans-87.7-13.8-179.800000112.9P1146 G1148 S1156 D1158P1146-A1152 HydrophobicContact CB-CB 4.32Å; G1148-A1152 PolarHBondContact O-N 3.16Å; A1152-S1156 VanDerWaalsContact O-CB 3.29Å; A1152-S1156 WeakPolarHBondContact O-CB 3.39Å; A1152-D1158 HydrophobicContact CB-CB 4.27Å
1153G69.3Low78.2Confident24 Ų2467 Ų6725%0.24739%0.389CS..  trans77.4157.5179.200000114.4I1149 G1155 S1156 A1159I1149-G1153 VanDerWaalsContact O-CA 3.3Å; I1149-G1153 WeakPolarHBondContact O-CA 3.37Å; I1149-G1153 PolarHBondContact O-N 3.31Å; G1153-G1155 PolarHBondContact O-N 3.17Å; G1153-S1156 PolarHBondContact O-N 3.49Å; G1153-A1159 VanDerWaalsContact O-CB 3.28Å; G1153-A1159 WeakPolarHBondContact O-CB 3.26Å
1154P63.6Low78Confident121 Ų12171.5 Ų71.579%0.78641%0.413SS*.THydrogen-bonded Turntrans-67.4118.5-178.427.7-34.4000111.5
1155G66.7Low78Confident82 Ų8272.7 Ų72.785%0.84542%0.419SS*.THydrogen-bonded Turntrans107.3-7.6178.600000115G1153G1153-G1155 PolarHBondContact O-N 3.17Å
1156S71.5Confident78Confident42 Ų4269.7 Ų69.729%0.29441%0.406SS..  trans-68149.7161.2-177.40000110.3A1152 G1153 D1158 A1159A1152-S1156 VanDerWaalsContact O-CB 3.29Å; A1152-S1156 WeakPolarHBondContact O-CB 3.39Å; G1153-S1156 PolarHBondContact O-N 3.49Å; S1156-D1158 VanDerWaalsContact C-N 3.3Å; S1156-D1158 PolarHBondContact OG-N 2.88Å; S1156-A1159 WeakPolarHBondContact O-CB 3.46Å; S1156-A1159 PolarHBondContact O-N 3.01Å
1157I74.9Confident78.1Confident144 Ų14469.9 Ų69.974%0.73841%0.407SS*.G310 helixtrans-67-36.7174.8-164.1163.6000110.9A1159 H1160I1157-A1159 PolarHBondContact O-N 3.46Å; I1157-H1160 PolarHBondContact O-N 3.38Å
1158D78.9Confident78.3Confident49 Ų4968.5 Ų68.526%0.26240%0.401SS..G310 helixtrans-74.61.3175.5-58.1-71.6000113.7R1147 G1148 A1152 S1156 H1160R1147-D1158 HydrophobicContact CG-CB 4.45Å; R1147-D1158 IonicContact NH1-OD1 3.59Å; R1147-D1158 PolarHBondContact NH1-OD1 3.24Å; G1148-D1158 PolarHBondContact N-O 3.09Å; A1152-D1158 HydrophobicContact CB-CB 4.27Å; S1156-D1158 VanDerWaalsContact C-N 3.3Å; S1156-D1158 PolarHBondContact OG-N 2.88Å; D1158-H1160 VanDerWaalsContact C-N 3.26Å
1159A75.8Confident78.8Confident5 Ų573.1 Ų73.14%0.04142%0.421CS..G310 helixtrans-71.6-23.6170.800000112.5I1149 G1153 S1156 I1157I1149-A1159 HydrophobicContact CG1-CB 4.31Å; I1149-A1159 WeakPolarHBondContact CG1-O 3.45Å; I1149-A1159 PolarHBondContact N-O 3.35Å; G1153-A1159 VanDerWaalsContact O-CB 3.28Å; G1153-A1159 WeakPolarHBondContact O-CB 3.26Å; S1156-A1159 WeakPolarHBondContact O-CB 3.46Å; S1156-A1159 PolarHBondContact O-N 3.01Å; I1157-A1159 PolarHBondContact O-N 3.46Å
1160H77.8Confident79.6Confident151 Ų15170.8 Ų70.870%0.69941%0.413SS*.  trans-85.1123.7179.3-70.2-79.9000111.2I1157 D1158I1157-H1160 PolarHBondContact O-N 3.38Å; D1158-H1160 VanDerWaalsContact C-N 3.26Å
1161L82.5Confident80.5Confident55 Ų5564.5 Ų64.529%0.28839%0.385SS..  trans-120.3143.2171.8-92.162.3000109.8R1147 E1165 P1167R1147-L1161 HydrophobicContact CG-CD1 3.88Å; L1161-E1165 HydrophobicContact CB-CB 4.09Å; L1161-E1165 HydrophobicContact CD2-CB 3.96Å; L1161-E1165 HydrophobicContact CG-CB 3.7Å; L1161-P1167 HydrophobicContact CD2-CB 4.01Å
1162E84.6Confident81.4Confident128 Ų12864.6 Ų64.660%0.59838%0.38SS*.  trans-74156.5158.2-67.7-61163.600110.8D1164 E1165E1162-D1164 PolarHBondContact O-N 2.97Å; E1162-E1165 HydrophobicContact CB-CG 4.38Å; E1162-E1165 PolarHBondContact N-OE1 3.32Å; E1162-E1165 PolarHBondContact O-N 3.24Å
1163P81Confident82.4Confident130 Ų13066.9 Ų66.984%0.84439%0.389SS*.THydrogen-bonded Turntrans-71.3-2.8-168.329.6-37.2000115.4
1164D88.8Confident83.5Confident93 Ų9365.8 Ų65.850%0.49738%0.377SS..THydrogen-bonded Turntrans-109.9-1.7173.849.4-7.5000113.5E1162 G1198 L1199E1162-D1164 PolarHBondContact O-N 2.97Å; D1164-G1198 CarbonylContact O-C 3.59Å; D1164-G1198 WeakPolarHBondContact O-CA 3.35Å; D1164-L1199 PolarHBondContact O-N 3.11Å
1165E91.7Very high85Confident28 Ų2862.7 Ų62.713%0.13136%0.356CS..BIsolated β-bridgetrans-78.9151.2168.2-70.5-170.7-117.200112.5R1147 L1161 E1162 W1187R1147-E1165 IonicContact CZ-OE2 3.88Å; R1147-E1165 IonicContact NE-OE2 2.63Å; R1147-E1165 PolarHBondContact NE-OE2 3.08Å; R1147-E1165 IonicContact NH2-OE1 2.73Å; R1147-E1165 PolarHBondContact NH2-OE1 3.49Å; R1147-E1165 IonicContact NH2-OE2 2.68Å; R1147-E1165 PolarHBondContact NH2-OE2 3.47Å; L1161-E1165 HydrophobicContact CB-CB 4.09Å; L1161-E1165 HydrophobicContact CD2-CB 3.96Å; L1161-E1165 HydrophobicContact CG-CB 3.7Å; E1162-E1165 HydrophobicContact CB-CG 4.38Å; E1162-E1165 PolarHBondContact N-OE1 3.32Å; E1162-E1165 PolarHBondContact O-N 3.24Å; E1165-W1187 HydrophobicContact CG-CH2 4.07Å; E1165-W1187 HydrophobicContact CG-CZ3 3.88Å; E1165-W1187 WeakPolarHBondContact OE2-CH2 3.33Å
1166L90Very high86.3Confident2 Ų259.4 Ų59.41%0.0132%0.319CS..PPolyproline II helixtrans-97.3126.9175.5-166.969.1000110.2L1168 L1174 A1190 N1192 Q1196 L1199 V1200L1166-L1168 HydrophobicContact CD2-CD2 4.49Å; L1166-L1174 HydrophobicContact CD2-CD2 4.05Å; L1166-A1190 HydrophobicContact CD2-CB 3.88Å; L1166-N1192 HydrophobicContact CD1-CB 4.44Å; L1166-N1192 HydrophobicContact CD2-CB 4.2Å; L1166-Q1196 HydrophobicContact CD1-CB 3.91Å; L1166-L1199 PolarHBondContact N-O 2.97Å; L1166-V1200 HydrophobicContact CB-CG1 3.79Å; L1166-V1200 HydrophobicContact CD2-CG1 3.95Å; L1166-V1200 HydrophobicContact CG-CG1 4.47Å
1167P90.8Very high87.3Confident49 Ų4960.3 Ų60.332%0.31832%0.322SS..PPolyproline II helixtrans-66.5142.9171.728.5-34.1000110.2R1147 L1161R1147-P1167 WeakPolarHBondContact O-CA 3.04Å; L1161-P1167 HydrophobicContact CD2-CB 4.01Å
1168L89.9Confident87.9Confident1 Ų156.9 Ų56.91%0.00531%0.305CS..BIsolated β-bridgetrans-126127.8-172.5-60.5-175.6000111.3A1143 P1146 R1147 A1151 L1166 L1174 V1200 H1204A1143-L1168 HydrophobicContact CB-CB 4.08Å; A1143-L1168 HydrophobicContact CB-CD1 4.3Å; A1143-L1168 HydrophobicContact CB-CD2 4.32Å; A1143-L1168 HydrophobicContact CB-CG 4.48Å; P1146-L1168 CarbonylContact C-O 3.56Å; P1146-L1168 WeakPolarHBondContact CA-O 3.47Å; R1147-L1168 HydrophobicContact CB-CB 3.9Å; R1147-L1168 HydrophobicContact CB-CD1 4.32Å; R1147-L1168 HydrophobicContact CB-CG 4.15Å; R1147-L1168 PolarHBondContact N-O 3.19Å; R1147-L1168 PolarHBondContact O-N 3.3Å; A1151-L1168 WeakPolarHBondContact CB-O 3.03Å; L1166-L1168 HydrophobicContact CD2-CD2 4.49Å; L1168-L1174 HydrophobicContact CD2-CD1 3.64Å; L1168-L1174 HydrophobicContact CD2-CD2 4.12Å; L1168-L1174 HydrophobicContact CD2-CG 4.46Å; L1168-V1200 HydrophobicContact CD1-CB 4.46Å; L1168-V1200 HydrophobicContact CD1-CG1 4.33Å; L1168-V1200 HydrophobicContact CD2-CG1 3.82Å; L1168-V1200 HydrophobicContact CG-CG1 4.44Å; L1168-H1204 HydrophobicContact CD1-CB 4.21Å
1169K88.2Confident88.5Confident101 Ų10157.7 Ų57.744%0.43931%0.305SS..  trans-100.1141.6167.6-70.9160.2-175.5165.20109.8A1143 E1150 A1151 N1171 E1172A1143-K1169 WeakPolarHBondContact CB-O 3.45Å; E1150-K1169 IonicContact OE2-NZ 3.77Å; E1150-K1169 PolarHBondContact OE2-NZ 2.92Å; E1150-K1169 VanDerWaalsContact OE2-NZ 3.15Å; A1151-K1169 HydrophobicContact CB-CG 3.94Å; K1169-N1171 PolarHBondContact O-N 3.05Å; K1169-E1172 HydrophobicContact CB-CB 4.28Å; K1169-E1172 PolarHBondContact N-OE2 2.94Å; K1169-E1172 WeakPolarHBondContact O-CB 3.46Å; K1169-E1172 PolarHBondContact O-N 3.49Å
1170P88.7Confident89.1Confident67 Ų6763.3 Ų63.344%0.43533%0.33SS..THydrogen-bonded Turntrans-56.1135.3178.4-26.235.7000111.8P1146 E1172P1146-P1170 HydrophobicContact CB-CG 4.03Å; P1146-P1170 HydrophobicContact CG-CG 4.38Å; P1170-E1172 PolarHBondContact O-N 2.87Å
1171N90.6Very high89.5Confident29 Ų2956.7 Ų56.716%0.15530%0.301CS..THydrogen-bonded Turntrans60.814.4-171.7-68.8-27.7000116.5Y936 A1143 K1169 L1173 P1209 L1210Y936-N1171 WeakPolarHBondContact OH-CB 2.96Å; Y936-N1171 PolarHBondContact OH-ND2 3.28Å; A1143-N1171 WeakPolarHBondContact O-CA 3.44Å; A1143-N1171 PolarHBondContact O-N 3.39Å; K1169-N1171 PolarHBondContact O-N 3.05Å; N1171-L1173 PolarHBondContact O-N 2.98Å; N1171-P1209 WeakPolarHBondContact OD1-CA 3.45Å; N1171-L1210 PolarHBondContact ND2-O 3.11Å; N1171-L1210 WeakPolarHBondContact OD1-CB 3.3Å; N1171-L1210 PolarHBondContact OD1-N 2.86Å
1172E92.6Very high89.5Confident33 Ų3360.6 Ų60.615%0.15433%0.329CS..  trans-62.1132167.7-174.6170.8-179.100110.8Y1142 A1143 K1169 P1170 L1174 N1192Y1142-E1172 WeakPolarHBondContact CA-O 3.23Å; A1143-E1172 HydrophobicContact CB-CB 4.39Å; A1143-E1172 PolarHBondContact N-O 3.47Å; K1169-E1172 HydrophobicContact CB-CB 4.28Å; K1169-E1172 PolarHBondContact N-OE2 2.94Å; K1169-E1172 WeakPolarHBondContact O-CB 3.46Å; K1169-E1172 PolarHBondContact O-N 3.49Å; P1170-E1172 PolarHBondContact O-N 2.87Å; E1172-L1174 HydrophobicContact CG-CD2 4.08Å; E1172-N1192 WeakPolarHBondContact OE1-CB 3.43Å
1173L92.3Very high89.4Confident71 Ų7158 Ų5837%0.37234%0.337SS..EExtended strand (participates in β ladder)trans-84.9116177.8179.468.2000110R1140 Y1142 N1171R1140-L1173 HydrophobicContact CB-CD1 4.14Å; R1140-L1173 HydrophobicContact CG-CD1 4.33Å; Y1142-L1173 HydrophobicContact CD1-CD1 4.21Å; Y1142-L1173 HydrophobicContact CE1-CB 4.48Å; Y1142-L1173 HydrophobicContact CE1-CD1 3.8Å; N1171-L1173 PolarHBondContact O-N 2.98Å
1174L93.6Very high89.6Confident0 Ų055.8 Ų55.80%032%0.315CS..EExtended strand (participates in β ladder)trans-109.4159.4177.7-50.5173.5000110.7R1140 V1141 A1143 L1166 L1168 E1172 A1190 N1192 V1200 I1205R1140-L1174 WeakPolarHBondContact CA-O 3.48Å; V1141-L1174 HydrophobicContact CG2-CB 3.88Å; V1141-L1174 HydrophobicContact CG2-CD1 4.46Å; V1141-L1174 PolarHBondContact N-O 3.43Å; V1141-L1174 PolarHBondContact O-N 3.32Å; A1143-L1174 HydrophobicContact CB-CD1 4.41Å; L1166-L1174 HydrophobicContact CD2-CD2 4.05Å; L1168-L1174 HydrophobicContact CD2-CD1 3.64Å; L1168-L1174 HydrophobicContact CD2-CD2 4.12Å; L1168-L1174 HydrophobicContact CD2-CG 4.46Å; E1172-L1174 HydrophobicContact CG-CD2 4.08Å; L1174-A1190 HydrophobicContact CB-CB 4.41Å; L1174-A1190 HydrophobicContact CD1-CB 4.4Å; L1174-N1192 HydrophobicContact CD2-CB 3.99Å; L1174-V1200 HydrophobicContact CD1-CG1 4.32Å; L1174-I1205 HydrophobicContact CD1-CG2 4.1Å
1175T94.4Very high89.5Confident56 Ų5657.1 Ų57.134%0.34432%0.322SS..EExtended strand (participates in β ladder)trans-119.5118.1168.7-54.90000109.6S1138 V1177 A1190 E1191S1138-T1175 WeakPolarHBondContact O-CG2 3.44Å; T1175-V1177 PolarHBondContact O-N 3.45Å; T1175-A1190 CarbonylContact O-C 3.58Å; T1175-A1190 WeakPolarHBondContact O-CA 3.48Å; T1175-E1191 PolarHBondContact N-O 2.91Å; T1175-E1191 PolarHBondContact O-N 3.19Å
1176I94.2Very high89.3Confident13 Ų1361 Ų617%0.06734%0.34CS..EExtended strand (participates in β ladder)trans-71.3124.1174.8-57.9-53.2000109.8G1139 V1141 D1178 R1179 M1188 A1190 V1200 I1205G1139-I1176 PolarHBondContact O-N 2.85Å; V1141-I1176 HydrophobicContact CG1-CG1 4.04Å; V1141-I1176 HydrophobicContact CG2-CD1 3.82Å; V1141-I1176 HydrophobicContact CG2-CG1 3.83Å; I1176-D1178 WeakPolarHBondContact CG2-O 3.44Å; I1176-R1179 HydrophobicContact CG2-CG 3.84Å; I1176-M1188 HydrophobicContact CD1-CB 4.06Å; I1176-M1188 HydrophobicContact CD1-CE 4.21Å; I1176-M1188 HydrophobicContact CD1-SD 4.2Å; I1176-M1188 HydrophobicContact CG1-SD 4.3Å; I1176-M1188 HydrophobicContact CG2-CB 4.18Å; I1176-M1188 HydrophobicContact CG2-SD 4.37Å; I1176-A1190 HydrophobicContact CD1-CB 3.89Å; I1176-V1200 HydrophobicContact CD1-CG2 4.18Å; I1176-I1205 HydrophobicContact CD1-CD1 4.38Å
1177V91.2Very high89.4Confident61 Ų6164 Ų6437%0.3735%0.351SS..EExtended strand (participates in β ladder)trans-96.3-40.4179.8-178.60000110.8T1175 L1189 E1191T1175-V1177 PolarHBondContact O-N 3.45Å; V1177-L1189 HydrophobicContact CB-CD2 4.22Å; V1177-L1189 HydrophobicContact CB-CG 4.23Å; V1177-L1189 HydrophobicContact CG1-CD2 4.14Å; V1177-L1189 PolarHBondContact N-O 2.88Å; V1177-E1191 HydrophobicContact CG2-CB 3.79Å
1178D89.3Confident89.5Confident72 Ų7261.8 Ų61.839%0.38534%0.336SS..EExtended strand (participates in β ladder)trans-137.7134.6172.1-165.4-14000109.6I1176 E1180 M1188 L1189I1176-D1178 WeakPolarHBondContact CG2-O 3.44Å; D1178-E1180 PolarHBondContact OD1-N 3.21Å; D1178-M1188 WeakPolarHBondContact O-CA 3.43Å; D1178-M1188 WeakPolarHBondContact O-CB 3.5Å; D1178-L1189 HydrophobicContact CB-CB 3.92Å; D1178-L1189 HydrophobicContact CB-CD2 4.48Å; D1178-L1189 PolarHBondContact N-O 3.48Å; D1178-L1189 PolarHBondContact O-N 3.15Å
1179R90.1Very high89.7Confident66 Ų6664.1 Ų64.125%0.24935%0.348CS..SBendtrans-88.6-22.7-179.9-65-175.370.4-170.7-0.2112.8H1130 E1131 L1133 S1135 I1176 R1202H1130-R1179 PolarHBondContact O-NH2 3.27Å; E1131-R1179 PolarHBondContact O-NH1 3.36Å; E1131-R1179 PolarHBondContact O-NH2 3.46Å; L1133-R1179 PolarHBondContact O-NE 2.94Å; L1133-R1179 PolarHBondContact O-NH2 3.24Å; S1135-R1179 WeakPolarHBondContact OG-CD 3.41Å; S1135-R1179 PolarHBondContact OG-NH1 3.24Å; I1176-R1179 HydrophobicContact CG2-CG 3.84Å; R1179-R1202 PolarHBondContact O-NH2 3.44Å
1180E88Confident90Very high123 Ų12359.3 Ų59.358%0.57533%0.327SS*.SBendtrans-138.768.7-174.1-69.9-166.7165.100111.8D1178 R1202D1178-E1180 PolarHBondContact OD1-N 3.21Å; E1180-R1202 IonicContact OE1-CZ 2.92Å; E1180-R1202 IonicContact OE1-NH1 3.84Å; E1180-R1202 IonicContact OE1-NH2 2.73Å; E1180-R1202 PolarHBondContact OE1-NH2 3.11Å
1181P86.7Confident90.3Very high13 Ų1358.8 Ų58.88%0.08432%0.319CS..  trans-52.1138.5171.420.8-31.3000111.1G1183 E1184 W1187 L1199P1181-G1183 PolarHBondContact O-N 3.47Å; P1181-E1184 HydrophobicContact CG-CB 4.12Å; P1181-E1184 PolarHBondContact O-N 2.85Å; P1181-W1187 WeakPolarHBondContact CD-O 3.3Å; P1181-W1187 HydrophobicContact CG-CB 4.34Å; P1181-L1199 HydrophobicContact CB-CD2 4.18Å; P1181-L1199 HydrophobicContact CG-CD2 4.01Å
1182P83.3Confident90.3Very high136 Ų13658 Ų5888%0.88332%0.315SS*.THydrogen-bonded Turntrans-73.285.8-160.128.2-36.9000113.7
1183G82.3Confident90.1Very high74 Ų7461.6 Ų61.676%0.76334%0.344SS*.THydrogen-bonded Turntrans135.6-12.5179.800000113.8P1181P1181-G1183 PolarHBondContact O-N 3.47Å
1184E85.8Confident89.9Confident83 Ų8364.9 Ų64.939%0.38836%0.357SS..  trans-126.468.7-161.3-72.3166-173.100111P1181 E1186 W1187 L1199P1181-E1184 HydrophobicContact CG-CB 4.12Å; P1181-E1184 PolarHBondContact O-N 2.85Å; E1184-E1186 PolarHBondContact O-N 3.46Å; E1184-E1186 VanDerWaalsContact O-N 3.13Å; E1184-W1187 HydrophobicContact CB-CB 4.12Å; E1184-W1187 HydrophobicContact CB-CG 4.34Å; E1184-W1187 PolarHBondContact O-N 3.38Å; E1184-L1199 WeakPolarHBondContact OE2-CD1 3.44Å
1185I85.2Confident89.7Confident122 Ų12266.9 Ų66.963%0.62638%0.377SS*.THydrogen-bonded Turntrans-61.3-25.5-172.4-52.6174.2000112.6R1202I1185-R1202 VanDerWaalsContact O-CD 3.23Å; I1185-R1202 WeakPolarHBondContact O-CD 3.47Å; I1185-R1202 PolarHBondContact O-NE 3.24Å; I1185-R1202 PolarHBondContact O-NH1 3.05Å
1186E88.4Confident89.5Confident109 Ų10968.9 Ų68.951%0.50938%0.383SS..THydrogen-bonded Turntrans-87.9-2.4178.8-59.1-165.312500114R1101 E1184 R1202R1101-E1186 IonicContact CZ-OE1 2.76Å; R1101-E1186 IonicContact NE-OE1 2.71Å; R1101-E1186 PolarHBondContact NE-OE1 3.23Å; R1101-E1186 IonicContact NH2-OE1 3.17Å; R1101-E1186 PolarHBondContact NH2-OE1 2.87Å; E1184-E1186 PolarHBondContact O-N 3.46Å; E1184-E1186 VanDerWaalsContact O-N 3.13Å; E1186-R1202 WeakPolarHBondContact O-CB 3.42Å; E1186-R1202 WeakPolarHBondContact O-CG 3.49Å; E1186-R1202 PolarHBondContact O-N 2.87Å
1187W92.6Very high89.4Confident66 Ų6675.5 Ų75.525%0.2541%0.407CS..EExtended strand (participates in β ladder)trans-115.3165.5-179.3-60.983.5000111.4E1165 P1181 E1184 L1199 V1200 P1201E1165-W1187 HydrophobicContact CG-CH2 4.07Å; E1165-W1187 HydrophobicContact CG-CZ3 3.88Å; E1165-W1187 WeakPolarHBondContact OE2-CH2 3.33Å; P1181-W1187 WeakPolarHBondContact CD-O 3.3Å; P1181-W1187 HydrophobicContact CG-CB 4.34Å; E1184-W1187 HydrophobicContact CB-CB 4.12Å; E1184-W1187 HydrophobicContact CB-CG 4.34Å; E1184-W1187 PolarHBondContact O-N 3.38Å; W1187-L1199 HydrophobicContact CB-CD2 4.37Å; W1187-L1199 HydrophobicContact CD2-CB 4.45Å; W1187-L1199 HydrophobicContact CE3-CB 3.75Å; W1187-L1199 HydrophobicContact CZ3-CB 4.29Å; W1187-V1200 CarbonylContact C-O 3.53Å; W1187-V1200 WeakPolarHBondContact CA-O 2.94Å; W1187-V1200 VanDerWaalsContact CE3-C 3.46Å; W1187-P1201 HydrophobicContact CE3-CG 4.1Å; W1187-P1201 HydrophobicContact CH2-CG 4Å; W1187-P1201 HydrophobicContact CZ3-CG 3.68Å
1188M93Very high89.5Confident2 Ų272.8 Ų72.81%0.0139%0.391CS..EExtended strand (participates in β ladder)trans-140150.3169.9-65.6168.8-66.400109I1176 D1178 L1199 V1200 R1202 I1205I1176-M1188 HydrophobicContact CD1-CB 4.06Å; I1176-M1188 HydrophobicContact CD1-CE 4.21Å; I1176-M1188 HydrophobicContact CD1-SD 4.2Å; I1176-M1188 HydrophobicContact CG1-SD 4.3Å; I1176-M1188 HydrophobicContact CG2-CB 4.18Å; I1176-M1188 HydrophobicContact CG2-SD 4.37Å; D1178-M1188 WeakPolarHBondContact O-CA 3.43Å; D1178-M1188 WeakPolarHBondContact O-CB 3.5Å; M1188-L1199 CarbonylContact O-C 3.58Å; M1188-L1199 WeakPolarHBondContact O-CA 3.33Å; M1188-V1200 HydrophobicContact CB-CG2 4.27Å; M1188-V1200 HydrophobicContact CE-CG2 4.34Å; M1188-V1200 PolarHBondContact N-O 2.79Å; M1188-V1200 PolarHBondContact O-N 2.98Å; M1188-R1202 HydrophobicContact CE-CB 4.16Å; M1188-R1202 HydrophobicContact CE-CG 3.57Å; M1188-R1202 HydrophobicContact CG-CG 3.89Å; M1188-R1202 HydrophobicContact SD-CG 3.9Å; M1188-I1205 HydrophobicContact CE-CD1 3.23Å; M1188-I1205 HydrophobicContact CE-CG1 3.61Å; M1188-I1205 HydrophobicContact SD-CD1 4.16Å
1189L93Very high89.7Confident49 Ų4970.3 Ų70.326%0.25738%0.378SS..EExtended strand (participates in β ladder)trans-83.5115.7170.1-177.466.3000108.7V1177 D1178 R1197V1177-L1189 HydrophobicContact CB-CD2 4.22Å; V1177-L1189 HydrophobicContact CB-CG 4.23Å; V1177-L1189 HydrophobicContact CG1-CD2 4.14Å; V1177-L1189 PolarHBondContact N-O 2.88Å; D1178-L1189 HydrophobicContact CB-CB 3.92Å; D1178-L1189 HydrophobicContact CB-CD2 4.48Å; D1178-L1189 PolarHBondContact N-O 3.48Å; D1178-L1189 PolarHBondContact O-N 3.15Å; L1189-R1197 HydrophobicContact CD1-CB 4.46Å
1190A94.8Very high89.8Confident0 Ų067.2 Ų67.20%037%0.366CS..EExtended strand (participates in β ladder)trans-109.7157.9177.300000112L1166 L1174 T1175 I1176 R1197 G1198 V1200L1166-A1190 HydrophobicContact CD2-CB 3.88Å; L1174-A1190 HydrophobicContact CB-CB 4.41Å; L1174-A1190 HydrophobicContact CD1-CB 4.4Å; T1175-A1190 CarbonylContact O-C 3.58Å; T1175-A1190 WeakPolarHBondContact O-CA 3.48Å; I1176-A1190 HydrophobicContact CD1-CB 3.89Å; A1190-R1197 VanDerWaalsContact O-CA 3.26Å; A1190-R1197 WeakPolarHBondContact O-CA 3.34Å; A1190-G1198 PolarHBondContact N-O 2.88Å; A1190-G1198 PolarHBondContact O-N 3.12Å; A1190-G1198 VanDerWaalsContact O-N 3.13Å; A1190-V1200 HydrophobicContact CB-CB 4.41Å; A1190-V1200 HydrophobicContact CB-CG1 3.78Å; A1190-V1200 HydrophobicContact CB-CG2 3.68Å
1191E94Very high90.1Very high57 Ų5761.9 Ų61.927%0.26634%0.343SS..EExtended strand (participates in β ladder)trans-121126.9168.3-170.4171154.700108.8T1175 V1177 Q1196 R1197T1175-E1191 PolarHBondContact N-O 2.91Å; T1175-E1191 PolarHBondContact O-N 3.19Å; V1177-E1191 HydrophobicContact CG2-CB 3.79Å; E1191-Q1196 VanDerWaalsContact CA-O 3.3Å; E1191-Q1196 WeakPolarHBondContact CA-O 3.49Å; E1191-R1197 HydrophobicContact CB-CG 3.94Å; E1191-R1197 HydrophobicContact CG-CG 3.88Å; E1191-R1197 IonicContact OE2-CZ 2.71Å; E1191-R1197 IonicContact OE2-NE 2.91Å; E1191-R1197 PolarHBondContact OE2-NE 2.91Å; E1191-R1197 IonicContact OE2-NH2 3.01Å; E1191-R1197 PolarHBondContact OE2-NH2 3.4Å
1192N92.2Very high90.3Very high13 Ų1363.1 Ų63.17%0.0735%0.345CS..  trans-85.3179.2177.278.8-9.6000112.3L1166 E1172 L1174 E1194 G1195 Q1196L1166-N1192 HydrophobicContact CD1-CB 4.44Å; L1166-N1192 HydrophobicContact CD2-CB 4.2Å; E1172-N1192 WeakPolarHBondContact OE1-CB 3.43Å; L1174-N1192 HydrophobicContact CD2-CB 3.99Å; N1192-E1194 PolarHBondContact O-N 2.85Å; N1192-E1194 VanDerWaalsContact O-N 3.14Å; N1192-E1194 WeakPolarHBondContact OD1-CA 3.38Å; N1192-E1194 WeakPolarHBondContact OD1-CB 3.43Å; N1192-E1194 PolarHBondContact OD1-N 3.04Å; N1192-G1195 PolarHBondContact O-N 3.04Å; N1192-G1195 PolarHBondContact OD1-N 2.94Å; N1192-Q1196 PolarHBondContact N-O 2.85Å; N1192-Q1196 WeakPolarHBondContact OD1-CB 3.25Å; N1192-Q1196 PolarHBondContact OD1-N 3.1Å; N1192-Q1196 PolarHBondContact OD1-O 3.5Å
1193S88.3Confident90.7Very high108 Ų10858.5 Ų58.576%0.75532%0.316SS*.THydrogen-bonded Turntrans-63.6-16179.869.70000115
1194E88.1Confident91.1Very high140 Ų14056.3 Ų56.365%0.65429%0.286SS*.THydrogen-bonded Turntrans-91.2-5.5176.6-54.9-176.7166.600113N1192 Q1196N1192-E1194 PolarHBondContact O-N 2.85Å; N1192-E1194 VanDerWaalsContact O-N 3.14Å; N1192-E1194 WeakPolarHBondContact OD1-CA 3.38Å; N1192-E1194 WeakPolarHBondContact OD1-CB 3.43Å; N1192-E1194 PolarHBondContact OD1-N 3.04Å; E1194-Q1196 VanDerWaalsContact C-N 3.31Å; E1194-Q1196 HydrophobicContact CB-CG 4.25Å; E1194-Q1196 PolarHBondContact OE2-NE2 3.27Å
1195G87.7Confident91.5Very high41 Ų4152.4 Ų52.442%0.42327%0.268SS..SBendtrans79.39.9-173.400000114.1N1192N1192-G1195 PolarHBondContact O-N 3.04Å; N1192-G1195 PolarHBondContact OD1-N 2.94Å
1196Q90.7Very high91.8Very high99 Ų9946.6 Ų46.646%0.46324%0.238SC..  trans-70.2138.3168.8-57-165.443.400109.2L1166 E1191 N1192 E1194L1166-Q1196 HydrophobicContact CD1-CB 3.91Å; E1191-Q1196 VanDerWaalsContact CA-O 3.3Å; E1191-Q1196 WeakPolarHBondContact CA-O 3.49Å; N1192-Q1196 PolarHBondContact N-O 2.85Å; N1192-Q1196 WeakPolarHBondContact OD1-CB 3.25Å; N1192-Q1196 PolarHBondContact OD1-N 3.1Å; N1192-Q1196 PolarHBondContact OD1-O 3.5Å; E1194-Q1196 VanDerWaalsContact C-N 3.31Å; E1194-Q1196 HydrophobicContact CB-CG 4.25Å; E1194-Q1196 PolarHBondContact OE2-NE2 3.27Å
1197R92.8Very high91.9Very high152 Ų15242.2 Ų42.257%0.57422%0.219SC*.EExtended strand (participates in β ladder)trans-118.2136177.8-70.8-176.6176.3-170.8-3.6111L1189 A1190 E1191L1189-R1197 HydrophobicContact CD1-CB 4.46Å; A1190-R1197 VanDerWaalsContact O-CA 3.26Å; A1190-R1197 WeakPolarHBondContact O-CA 3.34Å; E1191-R1197 HydrophobicContact CB-CG 3.94Å; E1191-R1197 HydrophobicContact CG-CG 3.88Å; E1191-R1197 IonicContact OE2-CZ 2.71Å; E1191-R1197 IonicContact OE2-NE 2.91Å; E1191-R1197 PolarHBondContact OE2-NE 2.91Å; E1191-R1197 IonicContact OE2-NH2 3.01Å; E1191-R1197 PolarHBondContact OE2-NH2 3.4Å
1198G92.6Very high91.8Very high3 Ų341 Ų413%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-166.9172176.100000112.1D1164 A1190D1164-G1198 CarbonylContact O-C 3.59Å; D1164-G1198 WeakPolarHBondContact O-CA 3.35Å; A1190-G1198 PolarHBondContact N-O 2.88Å; A1190-G1198 PolarHBondContact O-N 3.12Å; A1190-G1198 VanDerWaalsContact O-N 3.13Å
1199L93.6Very high91.7Very high21 Ų2143.1 Ų43.111%0.1123%0.229CC..EExtended strand (participates in β ladder)trans-73.6138.8177.3-64.6169000110.6D1164 L1166 P1181 E1184 W1187 M1188D1164-L1199 PolarHBondContact O-N 3.11Å; L1166-L1199 PolarHBondContact N-O 2.97Å; P1181-L1199 HydrophobicContact CB-CD2 4.18Å; P1181-L1199 HydrophobicContact CG-CD2 4.01Å; E1184-L1199 WeakPolarHBondContact OE2-CD1 3.44Å; W1187-L1199 HydrophobicContact CB-CD2 4.37Å; W1187-L1199 HydrophobicContact CD2-CB 4.45Å; W1187-L1199 HydrophobicContact CE3-CB 3.75Å; W1187-L1199 HydrophobicContact CZ3-CB 4.29Å; M1188-L1199 CarbonylContact O-C 3.58Å; M1188-L1199 WeakPolarHBondContact O-CA 3.33Å
1200V93.4Very high91.3Very high0 Ų041.5 Ų41.50%022%0.221CC..EExtended strand (participates in β ladder)trans-130.7140.8174.1-60.40000111.1L1166 L1168 L1174 I1176 W1187 M1188 A1190 I1205L1166-V1200 HydrophobicContact CB-CG1 3.79Å; L1166-V1200 HydrophobicContact CD2-CG1 3.95Å; L1166-V1200 HydrophobicContact CG-CG1 4.47Å; L1168-V1200 HydrophobicContact CD1-CB 4.46Å; L1168-V1200 HydrophobicContact CD1-CG1 4.33Å; L1168-V1200 HydrophobicContact CD2-CG1 3.82Å; L1168-V1200 HydrophobicContact CG-CG1 4.44Å; L1174-V1200 HydrophobicContact CD1-CG1 4.32Å; I1176-V1200 HydrophobicContact CD1-CG2 4.18Å; W1187-V1200 CarbonylContact C-O 3.53Å; W1187-V1200 WeakPolarHBondContact CA-O 2.94Å; W1187-V1200 VanDerWaalsContact CE3-C 3.46Å; M1188-V1200 HydrophobicContact CB-CG2 4.27Å; M1188-V1200 HydrophobicContact CE-CG2 4.34Å; M1188-V1200 PolarHBondContact N-O 2.79Å; M1188-V1200 PolarHBondContact O-N 2.98Å; A1190-V1200 HydrophobicContact CB-CB 4.41Å; A1190-V1200 HydrophobicContact CB-CG1 3.78Å; A1190-V1200 HydrophobicContact CB-CG2 3.68Å; V1200-I1205 HydrophobicContact CG2-CG2 4.47Å
1201P92.6Very high90.6Very high12 Ų1244.3 Ų44.38%0.07824%0.237CC..EExtended strand (participates in β ladder)trans-69.1137.3177.8-17.930.2000112.5W1187 S1203 H1204W1187-P1201 HydrophobicContact CE3-CG 4.1Å; W1187-P1201 HydrophobicContact CH2-CG 4Å; W1187-P1201 HydrophobicContact CZ3-CG 3.68Å; P1201-S1203 PolarHBondContact O-N 3.31Å; P1201-S1203 VanDerWaalsContact O-N 3.17Å; P1201-H1204 HydrophobicContact CB-CB 4.13Å; P1201-H1204 HydrophobicContact CG-CB 4.29Å; P1201-H1204 PolarHBondContact O-N 3.38Å
1202R92Very high89.2Confident39 Ų3949 Ų4915%0.14725%0.253CS..G310 helixtrans-59.3-24.7174.9-77.9-175.9176-1671.3114.2H1099 R1179 E1180 I1185 E1186 M1188H1099-R1202 HydrophobicContact CB-CB 4.45Å; H1099-R1202 PolarHBondContact ND1-O 2.95Å; R1179-R1202 PolarHBondContact O-NH2 3.44Å; E1180-R1202 IonicContact OE1-CZ 2.92Å; E1180-R1202 IonicContact OE1-NH1 3.84Å; E1180-R1202 IonicContact OE1-NH2 2.73Å; E1180-R1202 PolarHBondContact OE1-NH2 3.11Å; I1185-R1202 VanDerWaalsContact O-CD 3.23Å; I1185-R1202 WeakPolarHBondContact O-CD 3.47Å; I1185-R1202 PolarHBondContact O-NE 3.24Å; I1185-R1202 PolarHBondContact O-NH1 3.05Å; E1186-R1202 WeakPolarHBondContact O-CB 3.42Å; E1186-R1202 WeakPolarHBondContact O-CG 3.49Å; E1186-R1202 PolarHBondContact O-N 2.87Å; M1188-R1202 HydrophobicContact CE-CB 4.16Å; M1188-R1202 HydrophobicContact CE-CG 3.57Å; M1188-R1202 HydrophobicContact CG-CG 3.89Å; M1188-R1202 HydrophobicContact SD-CG 3.9Å
1203S91.4Very high87.3Confident39 Ų3950.7 Ų50.727%0.27326%0.261SS..G310 helixtrans-80-16176.259.70000114.2S1097 H1099 P1201S1097-S1203 PolarHBondContact OG-O 3.06Å; H1099-S1203 VanDerWaalsContact O-CB 3.22Å; H1099-S1203 WeakPolarHBondContact O-CB 3.31Å; P1201-S1203 PolarHBondContact O-N 3.31Å; P1201-S1203 VanDerWaalsContact O-N 3.17Å
1204H91.5Very high84.9Confident28 Ų2849.1 Ų49.113%0.1325%0.248CC..G310 helixtrans-98.46.7-174.3-75.148000113.6A1143 L1144 F1145 L1168 P1201A1143-H1204 WeakPolarHBondContact CA-O 2.96Å; L1144-H1204 PolarHBondContact N-O 3.41Å; F1145-H1204 HydrophobicContact CD2-CB 4.39Å; F1145-H1204 AromaticContact CD2-CG 3.99Å; L1168-H1204 HydrophobicContact CD1-CB 4.21Å; P1201-H1204 HydrophobicContact CB-CB 4.13Å; P1201-H1204 HydrophobicContact CG-CB 4.29Å; P1201-H1204 PolarHBondContact O-N 3.38Å
1205I92.8Very high82.5Confident0 Ų048.5 Ų48.50%026%0.256CS..EExtended strand (participates in β ladder)trans-133.3158.2-177.765.4139.5000113.1L1133 V1141 Y1142 L1174 I1176 M1188 V1200L1133-I1205 HydrophobicContact CD1-CD1 3.77Å; L1133-I1205 HydrophobicContact CD1-CG1 4.39Å; L1133-I1205 HydrophobicContact CD2-CD1 3.8Å; L1133-I1205 HydrophobicContact CD2-CG1 4.14Å; L1133-I1205 HydrophobicContact CG-CD1 3.72Å; V1141-I1205 HydrophobicContact CB-CB 4.4Å; V1141-I1205 HydrophobicContact CB-CD1 3.77Å; V1141-I1205 HydrophobicContact CG1-CD1 3.74Å; V1141-I1205 HydrophobicContact CG2-CB 4.27Å; V1141-I1205 HydrophobicContact CG2-CD1 3.71Å; V1141-I1205 HydrophobicContact CG2-CG2 4.35Å; Y1142-I1205 CarbonylContact O-C 3.41Å; Y1142-I1205 WeakPolarHBondContact O-CA 3.47Å; L1174-I1205 HydrophobicContact CD1-CG2 4.1Å; I1176-I1205 HydrophobicContact CD1-CD1 4.38Å; M1188-I1205 HydrophobicContact CE-CD1 3.23Å; M1188-I1205 HydrophobicContact CE-CG1 3.61Å; M1188-I1205 HydrophobicContact SD-CD1 4.16Å; V1200-I1205 HydrophobicContact CG2-CG2 4.47Å
1206S92.1Very high79.7Confident0 Ų051.8 Ų51.80%027%0.273CS..EExtended strand (participates in β ladder)trans-139.9165171.6-176.80000112.5L1133 V1141 Y1142 Y1208L1133-S1206 VanDerWaalsContact CD1-C 3.5Å; V1141-S1206 CarbonylContact C-O 3.57Å; V1141-S1206 VanDerWaalsContact CA-O 3.31Å; V1141-S1206 WeakPolarHBondContact CA-O 3.43Å; V1141-S1206 WeakPolarHBondContact CB-O 3.41Å; Y1142-S1206 PolarHBondContact N-O 3.13Å; Y1142-S1206 PolarHBondContact O-N 2.94Å; S1206-Y1208 WeakPolarHBondContact CB-O 3.22Å; S1206-Y1208 PolarHBondContact O-N 2.85Å; S1206-Y1208 PolarHBondContact OG-N 3.09Å
1207C90.5Very high77Confident17 Ų1749.8 Ų49.812%0.11527%0.27CS..SBendtrans-66.8-15166.9-75.70000113
1208Y90.9Very high74.1Confident41 Ų4148.1 Ų48.116%0.16127%0.272CS..SBendtrans-132.6149.3-170.9-58.1-83.3000111.1V1092 E1093 R1132 Y1142 S1206V1092-Y1208 HydrophobicContact CG1-CD2 3.96Å; V1092-Y1208 HydrophobicContact CG1-CE2 3.86Å; V1092-Y1208 WeakPolarHBondContact O-CD2 3.39Å; E1093-Y1208 HydrophobicContact CG-CE1 4.08Å; E1093-Y1208 HydrophobicContact CG-CE2 4.1Å; E1093-Y1208 WeakPolarHBondContact O-CB 3.23Å; R1132-Y1208 VanDerWaalsContact CZ-OH 3.31Å; R1132-Y1208 PolarHBondContact NH1-OH 2.82Å; R1132-Y1208 PolarHBondContact NH2-OH 3.45Å; Y1142-Y1208 VanDerWaalsContact CD2-C 3.4Å; S1206-Y1208 WeakPolarHBondContact CB-O 3.22Å; S1206-Y1208 PolarHBondContact O-N 2.85Å; S1206-Y1208 PolarHBondContact OG-N 3.09Å
1209P89.9Confident71.2Confident47 Ų4753 Ų5331%0.30530%0.303SS..  trans-72.6148.5176.631.8-34.7000111.2H1094 Y1142 N1171 V1211H1094-P1209 CarbonylContact C-O 3.45Å; Y1142-P1209 HydrophobicContact CD1-CB 4Å; Y1142-P1209 HydrophobicContact CD2-CB 4.43Å; Y1142-P1209 HydrophobicContact CE1-CB 4.27Å; Y1142-P1209 HydrophobicContact CG-CB 4.08Å; N1171-P1209 WeakPolarHBondContact OD1-CA 3.45Å; P1209-V1211 PolarHBondContact O-N 3.32Å
1210L86.2Confident68.4Low15 Ų1560 Ų608%0.07934%0.339CS..  trans-69116.1172.3-173.772.6000110.6V1065 N1066 H1094 L1144 N1171 R1212V1065-L1210 HydrophobicContact CG2-CD1 3.74Å; N1066-L1210 WeakPolarHBondContact ND2-CD1 3.47Å; H1094-L1210 WeakPolarHBondContact O-CA 3.44Å; L1144-L1210 HydrophobicContact CD2-CB 4.32Å; N1171-L1210 PolarHBondContact ND2-O 3.11Å; N1171-L1210 WeakPolarHBondContact OD1-CB 3.3Å; N1171-L1210 PolarHBondContact OD1-N 2.86Å; L1210-R1212 HydrophobicContact CD2-CG 4.09Å; L1210-R1212 HydrophobicContact CG-CG 4.24Å; L1210-R1212 PolarHBondContact O-N 3.33Å
1211V78.5Confident65.3Low58 Ų5866.1 Ų66.135%0.35237%0.369SS..  trans-90.482.7179-176.60000110.4H1094 P1209H1094-V1211 HydrophobicContact CB-CB 4.47Å; H1094-V1211 HydrophobicContact CB-CG2 4.47Å; H1094-V1211 PolarHBondContact O-N 3.16Å; P1209-V1211 PolarHBondContact O-N 3.32Å
1212R66.2Low62.1Low156 Ų15674 Ų7459%0.58941%0.405SS*.PPolyproline II helixtrans-94.5123.3166.2-80.9-177.1170.9-150.93110.3D1064 L1210D1064-R1212 IonicContact OD2-CZ 2.57Å; D1064-R1212 IonicContact OD2-NE 2.68Å; D1064-R1212 IonicContact OD2-NH2 3.15Å; D1064-R1212 PolarHBondContact OD2-NH2 2.79Å; L1210-R1212 HydrophobicContact CD2-CG 4.09Å; L1210-R1212 HydrophobicContact CG-CG 4.24Å; L1210-R1212 PolarHBondContact O-N 3.33Å
1213I50.7Low59Low48 Ų4877.7 Ų77.725%0.24643%0.432CS..PPolyproline II helixtrans-91.8118.7179-58.5176.7000108.1L1059 S1217L1059-I1213 VanDerWaalsContact O-CD1 3.32Å; L1059-I1213 WeakPolarHBondContact O-CD1 3.48Å; I1213-S1217 WeakPolarHBondContact CG2-OG 3.5Å
1214P38.7Very low56.1Low75 Ų7581.7 Ų81.749%0.48746%0.457SS..PPolyproline II helixtrans-68.3140.6178.627.7-33.3000110.6S1216 S1217P1214-S1216 PolarHBondContact O-N 2.95Å; P1214-S1217 PolarHBondContact O-N 2.97Å; P1214-S1217 PolarHBondContact O-OG 2.84Å
1215P37.3Very low53Low127 Ų12789.3 Ų89.383%0.82549%0.49SS*.THydrogen-bonded Turntrans-66.81.3-171.525.6-35.2000115.3
1216S29.7Very low49.7Very low111 Ų11195.6 Ų95.678%0.77653%0.528SS*.THydrogen-bonded Turntrans-86.6-9.4172.5540000114.2P1214P1214-S1216 PolarHBondContact O-N 2.95Å
1217S34.2Very low46.7Very low57 Ų57103.7 Ų103.740%0.39956%0.564SS.*  trans-103.935.6-172.962.80000115.3I1213 P1214 P1219I1213-S1217 WeakPolarHBondContact CG2-OG 3.5Å; P1214-S1217 PolarHBondContact O-N 2.97Å; P1214-S1217 PolarHBondContact O-OG 2.84Å; S1217-P1219 VanDerWaalsContact C-CD 3.44Å; S1217-P1219 WeakPolarHBondContact O-CD 3.41Å
1218L31.5Very low43.7Very low116 Ų116107.8 Ų107.861%0.60759%0.592SS**  trans-9888171.5-78.5172.6000112.7I1220L1218-I1220 PolarHBondContact O-N 2.68Å
1219P30.8Very low40.8Very low105 Ų105113.4 Ų113.468%0.68262%0.622SS**  trans-73.8105.6155.131.6-29.9000108.6S1217 M1221S1217-P1219 VanDerWaalsContact C-CD 3.44Å; S1217-P1219 WeakPolarHBondContact O-CD 3.41Å; P1219-M1221 VanDerWaalsContact C-N 3.28Å; P1219-M1221 PolarHBondContact O-N 2.75Å
1220I36.6Very low37.7Very low169 Ų169120 Ų12087%0.86764%0.641SS**  trans-66.690.2167.9-56.3172000107.8L1218L1218-I1220 PolarHBondContact O-N 2.68Å
1221M28.3Very low34.8Very low128 Ų128123.4 Ų123.463%0.63167%0.665SS**  trans-153.2109-178.7-141171.571.100113.6V959 P1219V959-M1221 HydrophobicContact CG1-SD 4.04Å; P1219-M1221 VanDerWaalsContact C-N 3.28Å; P1219-M1221 PolarHBondContact O-N 2.75Å
1222E24.7Very low32.3Very low178 Ų178124.5 Ų124.583%0.83267%0.673SS**  trans46.1128.2158.1-59.8-171.3177.600119.4
1223T27.2Very low30.4Very low117 Ų117123.9 Ų123.972%0.71868%0.68SS**  trans-51.1138.5173.3440000112.1K1225T1223-K1225 PolarHBondContact O-N 3.48Å
1224P29.9Very low29.3Very low122 Ų122131.6 Ų131.679%0.79271%0.706SS**  trans-54.5118.7163.4-22.533.2000108.3T1226P1224-T1226 VanDerWaalsContact C-N 3.33Å; P1224-T1226 PolarHBondContact O-N 2.82Å
1225K25.3Very low28.6Very low189 Ų189136 Ų13682%0.82273%0.725SS**  trans-61.596.8174.2-73.3177-178.41700108.6T1223 F1227T1223-K1225 PolarHBondContact O-N 3.48Å; K1225-F1227 PolarHBondContact O-N 2.87Å
1226T24.8Very low28.1Very low131 Ų131138.1 Ų138.180%0.80472%0.724SS**  trans2073.3168.255.20000112.3P1224 S1228P1224-T1226 VanDerWaalsContact C-N 3.33Å; P1224-T1226 PolarHBondContact O-N 2.82Å; T1226-S1228 PolarHBondContact O-N 2.89Å
1227F28.7Very low28.1Very low171 Ų171141.5 Ų141.575%0.7573%0.725SS**  trans-72.579.4167.5-162.5-89.2000106.5K1225 M1229K1225-F1227 PolarHBondContact O-N 2.87Å; F1227-M1229 HydrophobicContact CD1-CB 4.12Å; F1227-M1229 HydrophobicContact CD1-CE 4.38Å; F1227-M1229 HydrophobicContact CE1-CB 4.17Å; F1227-M1229 HydrophobicContact CE1-CE 4.1Å; F1227-M1229 HydrophobicContact CE1-CG 4.4Å; F1227-M1229 PolarHBondContact O-N 3.17Å
1228S28.3Very low28.1Very low102 Ų102146.3 Ų146.371%0.71375%0.746SS**  trans-63.789.1171.3-177.30000106.2T1226 R1230T1226-S1228 PolarHBondContact O-N 2.89Å; S1228-R1230 PolarHBondContact O-N 2.74Å
1229M30.1Very low28.1Very low160 Ų160146.7 Ų146.779%0.78875%0.749SS**  trans-74.161.7164.3-161.7-178.7-58.600108.1F1227 S1231F1227-M1229 HydrophobicContact CD1-CB 4.12Å; F1227-M1229 HydrophobicContact CD1-CE 4.38Å; F1227-M1229 HydrophobicContact CE1-CB 4.17Å; F1227-M1229 HydrophobicContact CE1-CE 4.1Å; F1227-M1229 HydrophobicContact CE1-CG 4.4Å; F1227-M1229 PolarHBondContact O-N 3.17Å; M1229-S1231 PolarHBondContact O-N 3.44Å
1230R24Very low28.2Very low186 Ų186147.9 Ų147.970%0.70275%0.75SS**  trans32.885.6158.2-165.5-173.7-175.1143.14.3114.3S1228 T1232S1228-R1230 PolarHBondContact O-N 2.74Å; R1230-T1232 HydrophobicContact CG-CG2 3.91Å; R1230-T1232 WeakPolarHBondContact CG-OG1 3.47Å; R1230-T1232 PolarHBondContact NE-OG1 3.23Å; R1230-T1232 PolarHBondContact O-N 3.4Å
1231S25.7Very low28.3Very low85 Ų85146.7 Ų146.759%0.59475%0.745SS**  trans-57.8108.1150.4-178.10000107.9M1229 W1234M1229-S1231 PolarHBondContact O-N 3.44Å; S1231-W1234 PolarHBondContact OG-O 3.07Å
1232T25Very low28.9Very low82 Ų82147.2 Ų147.250%0.50375%0.751SS.*  trans-147.3117.9160.939.90000103.5R1230R1230-T1232 HydrophobicContact CG-CG2 3.91Å; R1230-T1232 WeakPolarHBondContact CG-OG1 3.47Å; R1230-T1232 PolarHBondContact NE-OG1 3.23Å; R1230-T1232 PolarHBondContact O-N 3.4Å
1233I27.9Very low29.5Very low143 Ų143145.5 Ų145.573%0.73375%0.747SS**SBendtrans66.987-138-44.5158.7000107.8
1234W26.6Very low30.1Very low209 Ų209147.2 Ų147.279%0.79275%0.752SS**SBendcis-133.6139.816.9-54.480.4000110.9S1231S1231-W1234 PolarHBondContact OG-O 3.07Å
1235N23.5Very low30.3Very low168 Ų168151.1 Ų151.190%0.89876%0.759SS**  trans-176.264.3160.1-11017.6000110
1236E26.5Very low30.9Very low172 Ų172147 Ų14780%0.80475%0.754SS**  trans-164.2107.6172.3-161.9171.5-123.400103.4
1237F31.3Very low31.5Very low181 Ų181147.9 Ų147.979%0.79475%0.754SS**  cis-113.9152.210.4-81.5-124.8000112.5
1238D33.2Very low31.7Very low159 Ų159143.3 Ų143.385%0.8576%0.755SS**  trans-148.797.6143.6-134.7-6.9000106
1239N32.2Very low31.9Very low123 Ų123146.8 Ų146.866%0.65877%0.766SS**  trans176.1128.2158.7-109.745000111.4
1240D33Very low32.3Very low131 Ų131143 Ų14370%0.70176%0.76SS**  trans76.7138146.1-47.2-29.2000121.2
1241D38.7Very low32.6Very low144 Ų144141.7 Ų141.777%0.7777%0.767SS**  trans81.582.6159-54.2-10.2000121.1
1242D39.5Very low33.1Very low139 Ų139144.1 Ų144.174%0.74378%0.778SS**  64.3124118.8-57.4-6.7000124.5
1243D37.8Very low33.4Very low141 Ų141145.3 Ų145.375%0.75479%0.79SS**  trans74.1124.4134.6-61.6-9.2000125.4
1244D39.1Very low33.6Very low154 Ų154148.3 Ų148.382%0.82480%0.798SS**  trans65.2115.5139.5-68-12.5000124.3
1245E34.9Very low33.5Very low203 Ų203148.7 Ų148.795%0.94980%0.801SS**  trans-86.8106.9143.7-80-166.2127.400110.7
1246S38.7Very low33.7Very low102 Ų102147 Ų14771%0.71379%0.792SS**  trans-165.7158.2136.8-142.90000113.1
1247D37.7Very low33.8Very low151 Ų151146.1 Ų146.181%0.80779%0.788SS**  trans59.693.7153.5-63.113.9000119.5
1248G31.2Very low33.7Very low74 Ų74147.6 Ų147.676%0.76379%0.788SS**  103.1113.696.800000119.9
1249D33.1Very low33.4Very low175 Ų175148.6 Ų148.694%0.93679%0.788SS**  trans76161.1146.4-88-29.8000122.5
1250A38.3Very low33.1Very low82 Ų82150.8 Ų150.868%0.67880%0.796SS**  trans75.268.9160.400000120.6
1251N31Very low32.7Very low157 Ų157150.8 Ų150.884%0.8479%0.791SS**  42.5120.7129.4-67.6-58.2000120.8
1252T35Very low32.2Very low136 Ų136155 Ų15583%0.83480%0.798SS**  -164.4102.4111.512.30000115.3
1253S32.1Very low31.6Very low108 Ų108155.4 Ų155.476%0.75579%0.794SS**  trans38.196.2141.4630000120.8
1254K33Very low30.9Very low206 Ų206158 Ų15890%0.89680%0.799SS**  -158.8115.7112.4-135.5175.4-176.6178.50111.9
1255Y24.6Very low30.3Very low216 Ų216159 Ų15985%0.84780%0.798SS**  trans-126.3161.8174.6-119.5-94.2000110.4
1256D25.9Very low29.8Very low134 Ų134154.5 Ų154.572%0.71778%0.78SS**  trans56115.8169.3-59.5-36.6000119.3
1257Q30.4Very low29.5Very low153 Ų153159 Ų15972%0.71579%0.79SS**  -168.9141.889.9-106.3-174.64100115
1258R29.2Very low28.9Very low212 Ų212158.3 Ų158.380%0.879%0.786SS**  trans86.6116.8155.9-65.3163.8-162.4-140.7-1.4119.6
1259E26.2Very low28.8Very low180 Ų180163.2 Ų163.284%0.84179%0.789SS**  trans-58.6147.7152.8-50149.6110.100111.2
1260M26.7Very low28.7Very low168 Ų168162.4 Ų162.483%0.82878%0.784SS**  -161.9133.4125.5-121.4173.7-70.600112.7
1261E23.1Very low28.2Very low131 Ų131165.2 Ų165.261%0.61279%0.787SS**  trans10.9121.7143.5-176.8175.1-152.400118.6K1263E1261-K1263 IonicContact OE1-NZ 3.12Å; E1261-K1263 PolarHBondContact OE1-NZ 3.48Å
1262Y28.3Very low28Very low233 Ų233163.9 Ų163.991%0.91479%0.787SS**  trans-132.9133.3146.9-110.7-84.6000112.5
1263K27Very low27.6Very low148 Ų148165.5 Ų165.564%0.64379%0.785SS**  trans-96.1168173.2-64.4-172.6179.177.80110.5E1261 H1265E1261-K1263 IonicContact OE1-NZ 3.12Å; E1261-K1263 PolarHBondContact OE1-NZ 3.48Å; K1263-H1265 PolarHBondContact O-N 2.58Å
1264F22.9Very low27.3Very low196 Ų196171.1 Ų171.186%0.8679%0.79SS**  trans-13.9116152.3-79.5-99.3000116.1
1265H26.7Very low27Very low174 Ų174169.4 Ų169.481%0.80679%0.788SS**  178.6153.7116.6-94.4-77000106.2K1263K1263-H1265 PolarHBondContact O-N 2.58Å
1266D25.4Very low27Very low108 Ų108164.8 Ų164.858%0.57879%0.788SS**  cis16698.8-12.6171.510.5000104N1268D1266-N1268 PolarHBondContact OD1-N 3.24Å
1267E31Very low27.2Very low196 Ų196167.4 Ų167.492%0.91679%0.793SS**  trans-12365.9170.5-73-156.4130.200110.4Q1269E1267-Q1269 VanDerWaalsContact C-N 3.35Å; E1267-Q1269 PolarHBondContact O-N 2.82Å
1268N25.4Very low26.8Very low138 Ų138168.3 Ų168.374%0.73880%0.799SS**  trans-72.691148.9-84.2-70.6000109.5D1266D1266-N1268 PolarHBondContact OD1-N 3.24Å
1269Q28.6Very low26.6Very low176 Ų176164.1 Ų164.182%0.82279%0.788SS**  trans-167.2140.5155.4-107.5143.4112.100111.6E1267E1267-Q1269 VanDerWaalsContact C-N 3.35Å; E1267-Q1269 PolarHBondContact O-N 2.82Å
1270L31.2Very low26.6Very low159 Ų159163.7 Ų163.783%0.83278%0.784SS**SBendtrans66.7122-175-51.5160.6000113.3
1271L27.9Very low26.6Very low140 Ų140162.1 Ų162.173%0.73378%0.784SS**  cis-149.91140.2-110.1164.6000110E1273L1271-E1273 PolarHBondContact O-N 2.68Å
1272P27.5Very low26.7Very low129 Ų129161.2 Ų161.284%0.83879%0.792SS**  trans-93.792.3173.834.3-30.8000111.6
1273E25.7Very low26.9Very low170 Ų170155.2 Ų155.279%0.79478%0.782SS**  trans-126.2146.9162.8-72.3-156.2140.600111.2L1271L1271-E1273 PolarHBondContact O-N 2.68Å
1274R26.3Very low26.9Very low227 Ų227153.1 Ų153.186%0.85779%0.785SS**SBendtrans70.450.4172.2-63.1179.1154.9158.6-6.8119.4
1275I26.5Very low27.2Very low169 Ų169149.8 Ų149.887%0.86778%0.777SS**SBend-139.7100.9124.7-71.1100.3000108.4
1276S26Very low27.4Very low119 Ų119148.8 Ų148.883%0.83278%0.777SS**  trans174.187.6159.2-86.10000110.2
1277K28.5Very low27.4Very low190 Ų190151.5 Ų151.583%0.82679%0.791SS**  trans-158.849.6173.1-134.4178.9-173.4-175.60115.8
1278M23.3Very low27.3Very low172 Ų172149.9 Ų149.985%0.84779%0.788SS**  trans-161.983.2155.4-116.1176.679.700113
1279Q25.2Very low27.7Very low123 Ų123150.1 Ų150.158%0.57579%0.789SS**SBendtrans-161.8150.2132.8-114177.8-6.200113.6S1138S1138-Q1279 PolarHBondContact OG-NE2 2.72Å
1280F26.1Very low27.8Very low172 Ų172148.9 Ų148.975%0.75479%0.788SS**  trans25.2105.8168.2-65.8-71.5000120.1
1281V26.1Very low27.8Very low135 Ų135148.2 Ų148.282%0.81879%0.785SS**  trans-98.1119.5146.7176.40000108.8
1282S25Very low28Very low111 Ų111147 Ų14778%0.77678%0.779SS**  trans-135.3129.7151.4-76.50000106.4
1283P31.6Very low28.2Very low108 Ų108147.9 Ų147.970%0.70178%0.777SS**  trans-102.6178.6-153.240-38.7000115.4
1284S27.5Very low28.4Very low103 Ų103144.4 Ų144.472%0.7277%0.768SS**  trans81.1144.5176.8-44.60000114.3
1285D30.3Very low28.6Very low127 Ų127140.6 Ų140.668%0.67976%0.764SS**  cis-121.5-173.115.7-88.4-55.3000114.6
1286N30.7Very low28.7Very low153 Ų153139.1 Ų139.182%0.81876%0.757SS**  trans-94.9165.6-156.9-68.7-83.7000117
1287L24.6Very low28.9Very low164 Ų164140 Ų14086%0.85975%0.751SS**  trans-68.1172.3163.6-76160.9000113.2
1288L30Very low29.1Very low163 Ų163136.1 Ų136.185%0.85374%0.743SS**  trans101.7134.8175.6-62.7162000114
1289N32.4Very low29.3Very low142 Ų142134.2 Ų134.276%0.75974%0.736SS**  cis-150.6156.11.1-159.731.6000112.6
1290D30.9Very low29.6Very low150 Ų150134.6 Ų134.680%0.80274%0.742SS**  trans-73.7163.3171.6-74.7-59.2000113.3
1291N32.4Very low30Very low145 Ų145132.5 Ų132.578%0.77574%0.739SS**  trans-12693.8-173.7-143.8-9.2000113.6
1292N31.4Very low30.3Very low115 Ų115132.1 Ų132.162%0.61573%0.732SS**  trans45.9120.2144.1-64-58.2000121.7
1293N31.2Very low30.7Very low147 Ų147133 Ų13379%0.78673%0.728SS**  179.897.1107.7-85.2-26.7000109.7
1294T30Very low30.8Very low98 Ų98133 Ų13360%0.60172%0.722SS**  6111382.466.20000115.9
1295N31.1Very low31Very low147 Ų147138 Ų13879%0.78673%0.725SS**  trans136.9139.2150.8-74.5-20000113
1296I28.6Very low31.5Very low138 Ų138137.2 Ų137.271%0.70873%0.727SS**  cis-166.7165.8-17-142.9166.5000109.7
1297I30.4Very low31.3Very low138 Ų138135 Ų13571%0.70872%0.722SS**  trans80.7106159.5-80.9170.2000122
1298T32Very low31.7Very low107 Ų107134.1 Ų134.166%0.65672%0.724SS**  trans67.7122.9132.769.90000127
1299N27.9Very low31.6Very low133 Ų133135 Ų13571%0.71172%0.721SS**  81.7135.5120.4-68.15.8000125
1300N31.6Very low31.5Very low131 Ų131132.9 Ų132.970%0.70172%0.723SS**  trans63.2125147.5-57.4-4.5000117.7
1301N34.5Very low31.3Very low128 Ų128131 Ų13168%0.68472%0.717SS**  cis-153.114939.5-88.2-58.6000110.7
1302N32.8Very low31.2Very low126 Ų126132.3 Ų132.367%0.67472%0.722SS**  46.9133.388.5-52.5-40.5000114.7
1303N32.6Very low31.1Very low129 Ų129134.7 Ų134.769%0.6973%0.727SS**  cis-171.1173.7-8.3-120.326.2000108.4
1304D34.5Very low30.9Very low108 Ų108133.3 Ų133.358%0.57872%0.719SS**  cis-159.1172.33.3-143.5-14.3000113.6
1305R31.3Very low30.9Very low208 Ų208136.5 Ų136.579%0.78573%0.727SS**  trans11.2172.7136.2-82.9170.4-178-159.60.2125.2
1306P40.7Very low30.8Very low111 Ų111135.7 Ų135.772%0.72172%0.723SS**  cis-136.4153-8.224.6-1.3000118.8
1307C26.8Very low30.9Very low106 Ų106135 Ų13572%0.71672%0.719SS**  trans3.4146.1142.9-48.30000123.3
1308T32.5Very low30.9Very low146 Ų146134.6 Ų134.690%0.89672%0.723SS**  -167.3168.2109.518.60000112.2
1309K27.3Very low30.8Very low182 Ų182134 Ų13479%0.79172%0.724SS**  -175.7108.3-76.4175.3-173.4-178.2-174.10111.4
1310A30.4Very low30.9Very low97 Ų97133.9 Ų133.980%0.80273%0.727SS**  trans-170.3129.115800000108
1311T26.8Very low31Very low110 Ų110136.6 Ų136.668%0.67573%0.733SS**  cis83.1897.7-31.70000117
1312I30Very low30.7Very low173 Ų173135.6 Ų135.689%0.88774%0.736SS**  trans-126.5155.3145.6-65.7-176.2000107.6
1313K29.3Very low30.7Very low165 Ų165134.9 Ų134.972%0.71774%0.74SS**  trans-125.1132.3-171.4-93.9-162.6168.9-162.90109.2
1314I27.6Very low30.6Very low119 Ų119134 Ų13461%0.6175%0.745SS**  80.1145.289.1-68.5177.7000113.2
1315E29.9Very low30.5Very low165 Ų165133.9 Ų133.977%0.77175%0.752SS**  trans72.7144.6166.2-79.3145.8-144.400117.2
1316D29.2Very low30.6Very low130 Ų130129.9 Ų129.970%0.69575%0.751SS**  cis-165.7164.9-7.4-131.5-5.2000118.4
1317I30.2Very low29.9Very low123 Ų123132.1 Ų132.163%0.63176%0.756SS**  trans59.8106.8140.7-77.4167.9000125.4
1318T31.4Very low30.5Very low130 Ų130131.8 Ų131.880%0.79875%0.753SS**  trans65.6172.6137.776.10000121.2
1319S30Very low30.3Very low95 Ų95132.7 Ų132.766%0.66475%0.751SS**  cis-157.3144.48.6104.30000116.3
1320V29.8Very low30.5Very low129 Ų129128.6 Ų128.678%0.78275%0.745SS**  trans57.8120.2138.1-175.10000123.1
1321K32.2Very low30.5Very low189 Ų189128 Ų12882%0.82274%0.74SS**  -173.5118119.3-104174.8-172.8174.90115.2
1322S30.1Very low30.7Very low107 Ų107130.7 Ų130.775%0.74874%0.743SS**  trans30.4141.8133.159.60000121.7
1323S32.2Very low30.8Very low110 Ų110129.7 Ų129.777%0.76973%0.734SS**  cis-151.2165.839.1570000117.2
1324S30.6Very low30.7Very low112 Ų112131.9 Ų131.978%0.78374%0.739SS**  trans-40.3158171.151.70000117.4
1325S32.5Very low30.7Very low105 Ų105133.4 Ų133.473%0.73475%0.747SS**  cis-133.6-16318.758.80000112.2
1326T33.9Very low31.1Very low124 Ų124130.6 Ų130.676%0.76174%0.743SS**  cis-153.2174.414.9-27.60000111.5
1327L25.2Very low30.9Very low157 Ų157135 Ų13582%0.82275%0.75SS**  trans-149178.5-177-82177.5000109.5
1328P40Very low31.5Very low100 Ų100134.9 Ų134.965%0.64976%0.757SS**  cis-139.2161.98.320.95.5000119.4
1329L28.6Very low31.3Very low165 Ų165133.7 Ų133.786%0.86475%0.754SS**  trans65.4150.5141-66.2167.9000120
1330S30.3Very low31.4Very low95 Ų95134.4 Ų134.466%0.66476%0.759SS**  cis-167.5142-2.5151.60000113.4
1331A30.8Very low31.6Very low84 Ų84134.5 Ų134.569%0.69476%0.76SS**  trans66.1153.3152.400000119.5
1332K30.7Very low31.5Very low168 Ų168132.1 Ų132.173%0.7376%0.756SS**  cis-166.9142.1-13.4-113.1179.4178.5-173.20109.9
1333H31.4Very low31.4Very low151 Ų151135.7 Ų135.770%0.69976%0.758SS**  trans64.1155.8155.7-54.4-21.1000117
1334Y28.1Very low31.5Very low211 Ų211137 Ų13783%0.82776%0.761SS**  cis-148.5177-16-142.3-104.2000109
1335I28Very low31.5Very low151 Ų151135 Ų13577%0.77476%0.759SS**  trans-121.7-174.9-175.3-20.2-177.7000111.1
1336P37.7Very low31.5Very low106 Ų106137.5 Ų137.569%0.68876%0.763SS**  -126.8173.8-105.144-29.3000119.1
1337R25.4Very low31.3Very low224 Ų224139.9 Ų139.985%0.84576%0.763SS**  trans71162.4148.7-82.2-169.1172.2-169.8-2.4120.9
1338P41.7Very low31.7Very low119 Ų119137.7 Ų137.777%0.77376%0.756SS**  trans-137.2175.3-145.845.5-29.7000118.3
1339S28.8Very low31.2Very low105 Ų105141.5 Ų141.573%0.73477%0.765SS**  trans-167.2135.2151.659.70000115.2
1340S31.7Very low31.4Very low111 Ų111139.1 Ų139.178%0.77675%0.753SS**  trans55.8-179160.8460000117.3
1341V33Very low31.5Very low131 Ų131143.3 Ų143.379%0.79476%0.755SS**  cis-145.6170.810.6-147.80000111.8
1342D30.1Very low31.6Very low138 Ų138146.9 Ų146.974%0.73876%0.757SS**  trans-72.6178174.1-58.1-50.1000113.9
1343F29.5Very low31.7Very low182 Ų182144.1 Ų144.180%0.79876%0.759SS**  cis-160.7165.530.2-137.2-77000113.5
1344T33.9Very low31.8Very low137 Ų137141.4 Ų141.484%0.8476%0.757SS**  trans73.9147.5173.576.50000116.8
1345G30.3Very low32.2Very low70 Ų70138.3 Ų138.372%0.72276%0.755SS**  cis168.2156.3-1000000113.7
1346L31.5Very low32.6Very low158 Ų158139.3 Ų139.383%0.82776%0.756SS**  trans78.1110.8169.7-60.8167.7000120.9
1347K31.4Very low32.5Very low175 Ų175140 Ų14076%0.76175%0.753SS**  70.5118.5123.9-73.1-169.8176.1-175.10123.8
1348T32.9Very low33.1Very low111 Ų111137.7 Ų137.768%0.68175%0.751SS**  63.8113.5129.2610000122.6
1349E30Very low33.1Very low179 Ų179143.5 Ų143.584%0.83677%0.773SS**  80.7151.8127.1-66.5-177.4170.700121.9
1350D32Very low33.3Very low115 Ų115145.4 Ų145.462%0.61578%0.775SS**  trans74.2108.7157.9-96.814.8000123.5
1351R32.4Very low33.4Very low184 Ų184147.2 Ų147.269%0.69478%0.775SS**  73.5110.9123.2-73.7179.9165.3107-0.4122.1
1352Q33Very low33.4Very low159 Ų159148.1 Ų148.174%0.74377%0.774SS**  72.3143.7123.7-63.6179.9-87.300120.8
1353S33.2Very low33.6Very low110 Ų110148.7 Ų148.777%0.76978%0.776SS**  trans63.2148.1162.348.20000117.6
1354S33.9Very low33.9Very low94 Ų94146.6 Ų146.666%0.65778%0.775SS**  cis-164.9175.2-16.5-100.40000108.3
1355D36.3Very low33.9Very low146 Ų146147.3 Ų147.378%0.78177%0.771SS**  trans66.8111.3163.6-45.5-29.6000115.4
1356E35Very low34.2Very low172 Ų172152.8 Ų152.880%0.80477%0.774SS**  92.5147.352.4-157.9-159.6-155.600112.7
1357I37.6Very low34.4Very low120 Ų120152.4 Ų152.462%0.61577%0.77SS**  trans89101.8162.8-50-168.9000118.8
1358Q37.2Very low34.6Very low175 Ų175150.5 Ų150.582%0.81877%0.771SS**  trans95.2130.3138.8-79.817024.900124.1
1359I42Very low34.8Very low241 Ų241154.1 Ų154.1100%1.23678%0.779SS**  trans75.60165.8-54.8169.7000115.4

Retrieved 1,359 of 1,359 residues in 814.7 ms (Link to these results)