X4YHC6_RAT Loading...

Transforming acidic coiled-coil containing protein 2 variant 3

AlphaFold DB , UniProt , Accession X4YHC6, Species RAT (Rattus norvegicus, Rat), Gene Tacc2, Length 1,021 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
1M34.7Very low35Very low254 Ų254126.1 Ų126.1100%1.25179%0.785SS**  0123.90-50.9171.3-168.700105.7
2G35.8Very low34.3Very low85 Ų85123.1 Ų123.188%0.87678%0.781SS**  cis137.5137.13.700000109
3G36.2Very low33.8Very low65 Ų65121.2 Ų121.267%0.6777%0.774SS**  cis-131.1175.7-7.500000111.1
4S37.2Very low33.2Very low107 Ų107123 Ų12375%0.74878%0.775SS**  61.6137.792.2-66.50000114.7
5Q37.7Very low32.9Very low173 Ų173124 Ų12481%0.80877%0.771SS**  cis-176.9172.25.2-111.4172.471.400106.1
6S34.9Very low32.7Very low78 Ų78124.5 Ų124.555%0.54577%0.767SS.*  cis-171.5136.3-5.4179.90000110.5
7L31.4Very low32.5Very low139 Ų139124.2 Ų124.273%0.72876%0.759SS**  trans54.4128.2143.8-60.5176.5000121.3
8Q28.8Very low32.4Very low166 Ų166126.3 Ų126.378%0.77676%0.759SS**  76.4160.172-97.1-162.4-19.900114.8
9P40.9Very low32.4Very low118 Ų118125.7 Ų125.777%0.76676%0.755SS**  cis-129-169.115.542-24.4000116.7
10A25.1Very low32.3Very low84 Ų84125.5 Ų125.569%0.69476%0.76SS**  trans-94-161.2175.500000110.5
11P42.2Very low32.3Very low118 Ų118128.8 Ų128.877%0.76677%0.767SS**  cis-146.1169.812.145.4-25.6000120.1
12A26.8Very low32.1Very low90 Ų90121.1 Ų121.174%0.74474%0.744SS**  trans63.2154.813600000125.6
13S27.2Very low32.1Very low99 Ų99125.1 Ų125.169%0.69274%0.742SS**  trans78.898151.829.10000121.8
14D25.6Very low31.8Very low146 Ų146127.3 Ų127.378%0.78175%0.748SS**  86.8127.9106.5-73.5-45.3000125.4
15L29.3Very low31.6Very low138 Ų138127.8 Ų127.872%0.72375%0.751SS**  trans85.3123.6140.5-68.4165.4000123.6
16N28.6Very low31.2Very low132 Ų132126.8 Ų126.871%0.70675%0.751SS**  trans74.4153.2139.4-68.9-11.9000120.1
17L30.8Very low31.3Very low120 Ų120128.4 Ų128.463%0.62876%0.762SS**  cis-148.7160.58.6-158.366.6000112.7
18E30.3Very low31.6Very low161 Ų161130 Ų13075%0.75277%0.766SS**  trans69.1162.6148.1-106.5163.9-130.800119.5
19V32.4Very low31.9Very low115 Ų115130 Ų13070%0.69777%0.766SS**  cis-137.8143.3-3.8-163.80000109.1
20S29.8Very low31.7Very low122 Ų122127.1 Ų127.185%0.85375%0.752SS**  trans166152.5138.7-73.90000112.4
21E31.8Very low32.1Very low194 Ų194132.4 Ų132.491%0.90776%0.76SS**  trans-99.4155.8-165.1-57.5158.2108.100114.6
22A31.8Very low31.8Very low93 Ų93135.7 Ų135.777%0.76977%0.765SS**  166.8128.8125.300000115.6
23M34.3Very low32.4Very low169 Ų169137.5 Ų137.583%0.83377%0.767SS**  trans71.9101.7139.1-59.7-80.3-81.900122.8
24S31.1Very low33.4Very low112 Ų112138.4 Ų138.478%0.78377%0.771SS**  76.9139129.361.30000124.1
25S31.8Very low33.7Very low116 Ų116140.3 Ų140.381%0.81178%0.775SS**  trans-66.8177.7-179.4-30.90000115.3
26D29.5Very low34.1Very low153 Ų153139.2 Ų139.282%0.81878%0.779SS**  -168.2156.362.3-168.916.9000113.5
27S36.6Very low34.8Very low111 Ų111139.5 Ų139.578%0.77679%0.785SS**  trans173.5150.7173.1-78.50000111.8
28E38.9Very low35.3Very low173 Ų173139.1 Ų139.181%0.80879%0.788SS**  cis-167.1-170.3-28.5-139.7-112.677.500108
29E34Very low35.7Very low165 Ų165137.8 Ų137.877%0.77179%0.793SS**  trans67.4147.4174.1-70-152.3106.400119.2
30A38.3Very low35.9Very low59 Ų59139.1 Ų139.149%0.48880%0.802SS.*  cis-167.8166.7-21.700000111.9
31F32Very low36.4Very low195 Ų195142.9 Ų142.986%0.85580%0.803SS**  trans67.9150.1171.6-53.9-78000116.6
32E37.9Very low36.6Very low186 Ų186137.7 Ų137.787%0.86979%0.793SS**  cis-138.1161.416.8-158.3171.8-160.400113.2
33T37.6Very low37.2Very low128 Ų128139 Ų13979%0.78579%0.794SS**  trans-92.2160.3-168.928.40000113.3
34P48.4Very low37.6Very low119 Ų119137 Ų13777%0.77379%0.793SS**  -159-171.86443.9-20.7000120.4
35E33.3Very low38Very low185 Ų185136.1 Ų136.186%0.86479%0.793SS**  trans86.281.7167.4-72.4-161.989.200121.3
36S36.3Very low38.7Very low116 Ų116136.4 Ų136.481%0.81179%0.792SS**  45.4110.2121.3176.30000120.9
37T44.6Very low39.7Very low137 Ų137134.8 Ų134.884%0.8479%0.789SS**  trans-147.5153.1140.9-168.10000112.3
38T40.7Very low40.1Very low113 Ų113135.2 Ų135.269%0.69379%0.79SS**  trans-100.8143.7-176.849.10000112.5
39P39.4Very low40.3Very low132 Ų132132.7 Ų132.786%0.85779%0.788SS**  trans-74.6137.1-179.430.9-35000112.6
40V36.5Very low40.9Very low143 Ų143130.5 Ų130.587%0.86779%0.788SS**  trans-112.9141170.3178.30000109.5
41K39.7Very low40.8Very low202 Ų202133.5 Ų133.588%0.87880%0.803SS**PPolyproline II helixtrans-93.4130.3-164.6-175.4175.3-180176.50112
42A36.6Very low40.7Very low85 Ų85133.6 Ų133.670%0.70281%0.806SS**PPolyproline II helixtrans-69149.4174.800000112.5
43P43.8Very low40.5Very low121 Ų121131 Ų13179%0.78680%0.803SS**PPolyproline II helixtrans-78.2153.6178.132.3-35.3000112.9
44P43.2Very low40.5Very low126 Ų126131.4 Ų131.482%0.81881%0.805SS**PPolyproline II helixtrans-82.9160178.234.6-35.7000113.6
45A38.4Very low39.9Very low94 Ų94131.6 Ų131.678%0.77781%0.806SS**PPolyproline II helixtrans-78.7157.6178.400000113.7
46P48.2Very low39.6Very low121 Ų121131.6 Ų131.679%0.78681%0.806SS**PPolyproline II helixtrans-76157.5179.531.2-36.2000114
47P48.7Very low39.8Very low119 Ų119130.8 Ų130.877%0.77380%0.798SS**PPolyproline II helixtrans-84.3160.5-178.634.5-36.3000114.4
48P45.8Very low39Very low120 Ų120132.7 Ų132.778%0.77980%0.798SS**PPolyproline II helixtrans-82.4162.5-178.834.2-37.1000114.5
49P44.1Very low38.4Very low120 Ų120133.7 Ų133.778%0.77980%0.803SS**PPolyproline II helixtrans-77.7160.6-179.632.3-36.6000114.5
50P44.8Very low37.8Very low119 Ų119135.3 Ų135.377%0.77380%0.803SS**PPolyproline II helixtrans-81.1161.9177.334.3-36000113.6
51P37Very low37.4Very low122 Ų122136.8 Ų136.879%0.79280%0.8SS**PPolyproline II helixtrans-84.8157.5-174.634.7-36.8000114.9
52E29.6Very low37.2Very low198 Ų198132.1 Ų132.193%0.92579%0.791SS**PPolyproline II helixtrans-87.3154.8-180-168.4167.6-154.600112.4
53V34.1Very low37.4Very low131 Ų131133.6 Ų133.679%0.79479%0.793SS**  trans-134.8128.5-172.8179.90000112.5
54T37.2Very low36.7Very low136 Ų136132.1 Ų132.183%0.83479%0.791SS**  trans-86.1141.3179.951.40000114
55P35.4Very low36.6Very low123 Ų123131.7 Ų131.780%0.79979%0.789SS**  trans-126.5140.2169.238.1-25.3000115.9
56E26.5Very low36.2Very low185 Ų185136.6 Ų136.686%0.86480%0.795SS**  trans-169.4165.8161-114.6-165-160.400108.2
57P40.7Very low35.5Very low100 Ų100139.1 Ų139.165%0.64980%0.797SS**  cis-132.7-150.6-16.433.3-9.8000112.5
58E28.2Very low35.1Very low177 Ų177139.3 Ų139.383%0.82780%0.798SS**  trans74.8130.6170.5-53.4-170.6152.700117.5
59V27.8Very low34.1Very low133 Ų133136.7 Ų136.781%0.80679%0.793SS**  cis100120.219.31770000114.7
60I27.8Very low33.3Very low167 Ų167136.7 Ų136.786%0.85679%0.794SS**  trans175.6149143.4-94158.1000111.8
61E27.2Very low32.4Very low173 Ų173138.5 Ų138.581%0.80880%0.796SS**  trans-103.7-162.3-179.5-124.4-165.113500110.9
62P36.5Very low32.1Very low105 Ų105137.9 Ų137.968%0.68280%0.795SS**  cis-128.2-144.5-11.844.4-25.5000110.4
63P40.2Very low32.1Very low116 Ų116135.9 Ų135.975%0.75379%0.785SS**  cis-127.6-177.4-23.340-22.6000115.2
64A30Very low32.6Very low89 Ų89135.7 Ų135.774%0.73679%0.787SS**  trans-88.3178.1174.100000114
65P40.2Very low32.4Very low118 Ų118134 Ų13477%0.76678%0.776SS**  -158.7167.990.944.9-26000119.9
66E29.4Very low32Very low196 Ų196134.7 Ų134.792%0.91678%0.778SS**  trans75.2149.4152-50.4-124.4131.500124.5
67E34.4Very low32.4Very low175 Ų175132 Ų13282%0.81877%0.773SS**  trans-87.9-171177-87-90.6148.600111.7
68P39.7Very low32.9Very low122 Ų122132.6 Ų132.679%0.79278%0.777SS**  cis-141.5178.79.543.6-24.9000118.8
69G25.5Very low33.1Very low66 Ų66132 Ų13268%0.6878%0.78SS**  trans147.484.7139.600000123.8
70C27Very low33.1Very low120 Ų120128.5 Ų128.581%0.81177%0.771SS**  trans47.9144.3133.3-990000127.3
71I25.3Very low34.2Very low156 Ų156127.1 Ų127.180%0.877%0.773SS**  trans66.7148.8152.970.3164.5000119.8
72S31.4Very low34.4Very low110 Ų110129.9 Ų129.977%0.76978%0.776SS**  cis-142.9165.415.5-61.50000114.5
73E29.4Very low34.2Very low156 Ų156129.7 Ų129.773%0.72978%0.776SS**  trans-98.8174.9170.3-150.6-165.4-122.900111.8V75E73-V75 HydrophobicContact CG-CG2 4.44Å
74P44.8Very low33.6Very low127 Ų127132.7 Ų132.783%0.82578%0.781SS**  -152.6168.688.240.1-20.9000118.1
75V32.8Very low33.6Very low100 Ų100134 Ų13461%0.60678%0.784SS**  trans-108.4153.9-177.8167.60000114.2E73E73-V75 HydrophobicContact CG-CG2 4.44Å
76V27.1Very low33.1Very low138 Ų138133.9 Ų133.984%0.83678%0.781SS**  trans-144.7137.1154.8-176.90000112
77V34.1Very low33.2Very low127 Ų127133.1 Ų133.177%0.7778%0.778SS**  trans-147.8139.2169.7179.40000110.2
78P52Low32.9Very low114 Ų114128 Ų12874%0.7477%0.771SS**  trans-149.4-178.4135.138.7-23.1000113.2
79D32.9Very low32.4Very low165 Ų165128.1 Ų128.188%0.88278%0.775SS**  -159176.7-50.4-163.2-3.6000107.8
80G27.5Very low33.5Very low59 Ų59129.8 Ų129.861%0.60877%0.774SS**  trans-73.3-173.1-169.700000118.2
81P51.4Low33.6Very low138 Ų138134.2 Ų134.290%0.89678%0.78SS**  -140.8-146.959.740.5-20.5000116
82R30.2Very low34.2Very low231 Ų231137 Ų13787%0.87278%0.781SS**  trans-129.2157.9-156.4-54.4176.5173.2-153.6-1.5115.9
83S32.6Very low34.4Very low100 Ų100137.3 Ų137.370%0.69978%0.78SS**  145.6132.4115.9-76.40000118.3
84E27.4Very low34.6Very low180 Ų180132.9 Ų132.984%0.84177%0.766SS**  trans59.8130.3143.4-63.5-176.7127.600126
85S29.9Very low33.9Very low115 Ų115135.2 Ų135.280%0.80477%0.765SS**  trans74.3145.4144.3-89.50000121.5
86V30.1Very low33.9Very low116 Ų116136.2 Ų136.270%0.70378%0.777SS**  cis-155.8162.7-574.80000111.7
87E31.3Very low34.3Very low181 Ų181135.7 Ų135.785%0.84678%0.779SS**  trans50.3131.7156.9-135.768.9-121.600121.8
88G27.8Very low34.3Very low67 Ų67135 Ų13569%0.69178%0.78SS**  trans15687.515600000120.8
89S29.6Very low33.5Very low124 Ų124134.5 Ų134.587%0.86779%0.785SS**  trans70148.7153.9-138.80000119.6
90P48.7Very low33.7Very low101 Ų101132.8 Ų132.866%0.65678%0.781SS**  trans-99.4151.3-178.837.8-33.2000113.8
91F29.9Very low34.1Very low214 Ų214139.6 Ų139.694%0.93979%0.794SS**  trans179.6139.7137.7-95.3-59.7000111
92R36.7Very low34.1Very low215 Ų215137.6 Ų137.681%0.81178%0.776SS**  trans-155.9119.2161.7-163.7-163.5-144.8-104.67.6111S94R92-S94 PolarHBondContact NH1-OG 3.25Å
93P36.8Very low35.2Very low116 Ų116135.7 Ų135.775%0.75378%0.777SS**  trans-90.2155.8162.7-9.428.1000111.9
94S33.5Very low36.2Very low62 Ų62138 Ų13843%0.43478%0.781SS.*  trans-156.9170.5162.6-680000106.6R92R92-S94 PolarHBondContact NH1-OG 3.25Å
95H30.6Very low37.6Very low177 Ų177136.6 Ų136.682%0.81977%0.772SS**  trans73.2114.3-177.5-36-63.6000112.2
96S32.8Very low38.7Very low120 Ų120137.4 Ų137.484%0.83978%0.775SS**  75.9100.671.5-60.90000112.6
97S33.8Very low39.4Very low128 Ų128140 Ų14090%0.89578%0.783SS**  trans-10297.5179.755.30000111.9
98S34.3Very low39.8Very low111 Ų111136 Ų13678%0.77678%0.78SS**  trans-89.8122.316353.80000109.8
99A35.4Very low40.4Very low104 Ų104138.3 Ų138.386%0.8679%0.786SS**  trans-94.8113.3170.500000109.7
100V36.7Very low41Very low129 Ų129138.7 Ų138.778%0.78279%0.789SS**  trans-90.9139.5168.7177.50000107.8
101F37.2Very low40.6Very low203 Ų203136.1 Ų136.189%0.8978%0.781SS**  trans-79.2136.3170.8-107.1-100.7000110.1
102D51.7Low40.9Very low96 Ų96132.1 Ų132.151%0.51377%0.774SS.*  trans-12488.3-167.6-177.335.7000108.7D104 K105D102-D104 PolarHBondContact O-N 3.16Å; D102-K105 IonicContact OD2-NZ 2.73Å; D102-K105 PolarHBondContact OD2-NZ 2.87Å
103E52.8Low40.9Very low191 Ų191132.1 Ų132.189%0.89378%0.775SS**  trans-79.145.8-171.5-69.5-159.811300114
104D53.1Low41.2Very low148 Ų148133.4 Ų133.479%0.79178%0.776SS**  trans-146.946.3175.9-127.1-25.5000113.6D102D102-D104 PolarHBondContact O-N 3.16Å
105K56.5Low41.5Very low151 Ų151138.3 Ų138.366%0.65780%0.797SS**  trans-135.5119.4174.4-92143.9-170.9155.10112.4D102 I107D102-K105 IonicContact OD2-NZ 2.73Å; D102-K105 PolarHBondContact OD2-NZ 2.87Å; K105-I107 PolarHBondContact O-N 3.27Å
106P53.9Low42.1Very low132 Ų132136.7 Ų136.786%0.85779%0.794SS**  trans-69.9125.1172.828.5-33000110.5A108P106-A108 PolarHBondContact O-N 2.84Å
107I44.6Very low42.2Very low170 Ų170140.7 Ų140.787%0.87280%0.797SS**  trans-80.2105.8-179.4-56.7176.1000109.2K105 S109K105-I107 PolarHBondContact O-N 3.27Å; I107-S109 PolarHBondContact O-N 3.49Å
108A38.8Very low42.5Very low96 Ų96142 Ų14279%0.79379%0.793SS**  trans-72.8123.9176.400000111.7P106P106-A108 PolarHBondContact O-N 2.84Å
109S42Very low42.7Very low117 Ų117142 Ų14282%0.81879%0.794SS**  trans-82.4116.9174.455.20000111.5I107 G111I107-S109 PolarHBondContact O-N 3.49Å; S109-G111 PolarHBondContact O-N 2.88Å; S109-G111 VanDerWaalsContact O-N 3.09Å
110S41Very low42.8Very low131 Ų131145.5 Ų145.592%0.91680%0.796SS**  trans-78.390.917860.10000112.2
111G39.6Very low43Very low47 Ų47147.6 Ų147.649%0.48580%0.797SS.*  trans-127.5110.3167.400000110.2S109S109-G111 PolarHBondContact O-N 2.88Å; S109-G111 VanDerWaalsContact O-N 3.09Å
112T37.4Very low43.1Very low130 Ų130146 Ų14680%0.79880%0.797SS**  trans-99.7115.6-172.828.40000113
113Y35.8Very low42.3Very low215 Ų215147.6 Ų147.684%0.84381%0.81SS**  trans-136.9122.3162.5-19.6-81.4000107.4
114N43.8Very low41.3Very low143 Ų143144.8 Ų144.877%0.76580%0.801SS**  trans-96.9121.4-179.4-58.9-47.1000110.3
115L40.6Very low40.1Very low166 Ų166144.7 Ų144.787%0.86980%0.801SS**  trans-145.2102162.1-80.4178000108.4
116D42.1Very low39Very low143 Ų143145.9 Ų145.977%0.76581%0.806SS**  trans-78.2124.1177.4-52.4-65.5000110.8
117F35.9Very low37.8Very low204 Ų204148 Ų14890%0.89581%0.805SS**  trans-151.285.5159-85.7-66.3000110.4
118D38.5Very low37Very low154 Ų154144.5 Ų144.582%0.82480%0.795SS**  trans-66161.7167.1-82.2-48.3000112.2
119S38.7Very low36.5Very low112 Ų112148 Ų14878%0.78380%0.8SS**  trans78.379.3163.6-47.40000118.5
120I38.3Very low35.9Very low177 Ų177151 Ų15191%0.90880%0.801SS**  trans-132.5121.6130.2-56.4-177.2000107.9
121E40.1Very low36.2Very low173 Ų173149.2 Ų149.281%0.80879%0.786SS**  trans-86.4153.9178.5-69.2-176.1122.500112.9
122L40Very low35.5Very low171 Ų171152.6 Ų152.690%0.89580%0.801SS**  trans-82.4116.7166173.571.4000109.8
123V34.1Very low34.9Very low129 Ų129151.3 Ų151.378%0.78280%0.797SS**  trans-138.8132.5167-177.50000110.4
124D31.5Very low34.6Very low132 Ų132145.3 Ų145.371%0.70679%0.792SS**  trans-132.5110.9174.6174.722000109.5
125N29.1Very low33.8Very low145 Ų145144.4 Ų144.478%0.77579%0.787SS**  trans-172.6174149.5-116.2-77.2000115.4
126F32.5Very low33.3Very low177 Ų177145.1 Ų145.178%0.77678%0.78SS**  trans-89.8168-163.8-76.1-105.2000117.5
127Q29.8Very low32.7Very low177 Ų177147.5 Ų147.583%0.82778%0.783SS**  trans108.4128.9142.3-87.1171.744.500121.5
128S27.2Very low32.3Very low96 Ų96141.3 Ų141.367%0.67178%0.777SS**  trans87.5113.2143-68.60000122.7
129L29.3Very low31.7Very low169 Ų169142.3 Ų142.389%0.88578%0.777SS**  trans84133.2136.8-60.9169.3000121.7
130E28.9Very low31.2Very low180 Ų180144.5 Ų144.584%0.84178%0.775SS**  trans-78.8179.2163-117.9-164.8141.500111.5
131P47.8Very low30.7Very low93 Ų93141.1 Ų141.160%0.60477%0.766SS**  cis-136.5-170.4-11.638.9-20.5000114.6
132C23.6Very low30.3Very low119 Ų119142 Ų14280%0.80477%0.767SS**  trans71.2156155.4-72.90000118.7
133S25.3Very low29.8Very low102 Ų102139.8 Ų139.871%0.71376%0.76SS**  cis-172.6152.8-14.450.40000112.4
134A29Very low29.6Very low89 Ų89138.6 Ų138.674%0.73676%0.757SS**  trans69.9166.6155.500000117.5
135D27.5Very low29.5Very low125 Ų125137.6 Ų137.667%0.66876%0.756SS**  cis-156.9167.32.2-144.2-19.4000115.1
136Y30.5Very low29.6Very low181 Ų181139.7 Ų139.771%0.7175%0.753SS**  trans60.9122.9148.3-81.5-45.9000127.1
137K28.1Very low30Very low193 Ų193141 Ų14184%0.83975%0.753SS**  trans66.1146.7141.4-58.2-167.2-175.6-174.90120.4
138G28.8Very low30.4Very low74 Ų74141.4 Ų141.476%0.76375%0.752SS**  cis159.1-169.8-7.800000115
139Q26.1Very low31Very low174 Ų174141 Ų14181%0.81375%0.749SS**  trans90.494.9161.6-159.2157.224.600122
140E27.4Very low31.4Very low159 Ų159138.3 Ų138.374%0.74374%0.74SS**  51.1107.3129.5-59.8-173.6108.400124.6
141C29.2Very low31.3Very low106 Ų106137.7 Ų137.772%0.71674%0.737SS**  64124.7106.8-165.20000122.2
142K31.6Very low30.5Very low192 Ų192138.3 Ų138.384%0.83574%0.743SS**  -177.1133.5116.8-97.8152.8-172.6165.50116.7
143V29Very low31Very low124 Ų124139 Ų13975%0.75274%0.744SS**  trans59.3111.8138.7179.40000118.9
144S28.9Very low32.4Very low103 Ų103139.5 Ų139.572%0.7274%0.744SS**  66.6144.785.6-121.10000115.1
145T29.4Very low33.2Very low111 Ų111140.3 Ų140.368%0.68174%0.742SS**  cis-165.1138.530.92.90000108.1
146R30.9Very low33.4Very low190 Ų190138.8 Ų138.872%0.71774%0.741SS**  93.3129.273.2-171.4-141.6-170.9173.16.9116.1
147R41.1Very low33.6Very low204 Ų204138.9 Ų138.977%0.7775%0.745SS**  trans91.6157.2167.7-59.8179.5169.7155.4-7.9117.9
148K39.8Very low33.7Very low186 Ų186134.6 Ų134.681%0.80974%0.736SS**  cis-177.6151.7-41-143.5-166.1179.9-159.20110.8
149S38.3Very low33.7Very low88 Ų88137 Ų13762%0.61574%0.735SS**  trans71154.9156.3-670000117.7
150T38.5Very low33.7Very low111 Ų111135.7 Ų135.768%0.68173%0.733SS**  cis-178.3159.5-0.725.70000107.7
151E27.1Very low33.9Very low167 Ų167133 Ų13378%0.7873%0.732SS**  cis-176.7-177.9-18.8-146130-73.900109.9
152S31Very low34.1Very low106 Ų106138.8 Ų138.874%0.74174%0.739SS**  trans71.2132.6170.966.80000119.1
153V33.3Very low34.1Very low134 Ų134134.2 Ų134.281%0.81273%0.731SS**  cis79.1134.922.3-173.80000114.8
154P54.2Low34.3Very low112 Ų112135.8 Ų135.873%0.72773%0.734SS**  cis-126.5-140.5-15.740.8-19.5000110.8
155P45.7Very low34.5Very low106 Ų106135.2 Ų135.269%0.68873%0.73SS**  cis-138.9152.5-1839.1-19.2000119.2
156S31.9Very low34.6Very low93 Ų93137.7 Ų137.765%0.6574%0.738SS**  59.4131.3126.8-67.40000126.1
157K34.8Very low34.6Very low184 Ų184137.7 Ų137.780%0.875%0.747SS**  71.9159.2128.5-66.2175.2-172.9-179.70119.3
158T29.8Very low34Very low103 Ų103132 Ų13263%0.63274%0.743SS**  cis-169.2170.8-19.1340000109
159T29.3Very low33.7Very low124 Ų124128.1 Ų128.176%0.76174%0.74SS**  trans65.3169.114743.10000118.1
160L27.3Very low33.4Very low146 Ų146130.3 Ų130.376%0.76475%0.745SS**  cis-176162.9-35.8-174.9138000107.1
161S31.4Very low33.2Very low102 Ų102134.2 Ų134.271%0.71375%0.752SS**  trans66.1137.9179.2280000115.6
162R32.8Very low33.5Very low228 Ų228133.5 Ų133.586%0.8675%0.754SS**  cis95.212432.6-168-156.7-165.7-171.96.2111.9
163S32.2Very low33.6Very low96 Ų96131 Ų13167%0.67175%0.745SS**  trans67.2155.317116.10000116
164L32Very low33.6Very low157 Ų157129 Ų12982%0.82274%0.743SS**  cis-165.9176.3-20.8-117.5173.9000108.5
165S32.8Very low32.4Very low92 Ų92129.4 Ų129.464%0.64375%0.748SS**  trans69.2106.9156.3-59.50000120.8
166L31.8Very low31.9Very low162 Ų162130.1 Ų130.185%0.84875%0.754SS**  35.3107.5113.6-57.3172.9000119.2
167Q31.5Very low32.6Very low190 Ų190132 Ų13289%0.88876%0.764SS**  177.5125.6115.6-93.1168.5-8.300107.3
168A29.3Very low32.2Very low84 Ų84126.9 Ų126.969%0.69476%0.764SS**  cis89.9126.448.200000113.1
169S31.7Very low32.1Very low106 Ų106127.3 Ų127.374%0.74177%0.771SS**  trans63.9155.2171.365.60000119.1
170D32Very low33.1Very low134 Ų134126.7 Ų126.772%0.71777%0.769SS**  cis-173.7164-34.1-91.3-42.2000107.2
171F35Very low33.6Very low192 Ų192128.7 Ų128.784%0.84277%0.774SS**  trans61.6159.1173.8-66.5-83.4000115.7
172D34.6Very low33.6Very low152 Ų152128.8 Ų128.881%0.81378%0.781SS**  cis-139.8177.5-18.9-139.6-8.2000105
173G33Very low33.6Very low54 Ų54121.3 Ų121.356%0.55778%0.776SS**  cis159.8133.610.600000109.5
174A32.6Very low33.5Very low93 Ų93123.2 Ų123.277%0.76978%0.783SS**  trans47.7111.8156.800000122
175S29.3Very low33.4Very low120 Ų120123.4 Ų123.484%0.83978%0.784SS**  86.6132.2121.9-59.50000122.9
176C35.3Very low33.3Very low120 Ų120123 Ų12381%0.81179%0.787SS**  trans-69.4162.1161.5-43.90000111.9
177P47.1Very low33.3Very low133 Ų133121.3 Ų121.386%0.86478%0.783SS**  -142.4179.89336.7-20.5000112.7
178G26.4Very low33.1Very low77 Ų77119.1 Ų119.179%0.79478%0.778SS**  cis-177.5-179.10.900000111.7
179S27.9Very low33.2Very low112 Ų112119 Ų11978%0.78378%0.777SS**  trans-98.5166.6179.2-169.40000112.2
180P50.1Low33.4Very low111 Ų111120.5 Ų120.572%0.72179%0.786SS**  -149.9140.9101.936.9-19000118.9
181E37.1Very low33.1Very low187 Ų187117.4 Ų117.487%0.87479%0.786SS**  52.9127.4129.9-56.8-167.1114.400125.7
182A32.1Very low32.9Very low104 Ų104114.9 Ų114.986%0.8679%0.786SS**  trans-159.9146.6130.400000111
183G31.7Very low32.7Very low72 Ų72111.1 Ų111.174%0.74278%0.783SS**  trans-92.4-175179.200000114.7
184T30.1Very low32.6Very low135 Ų135113 Ų11383%0.82879%0.788SS**  cis-158172.723.647.40000113.2
185L30.7Very low32.5Very low161 Ų161115.2 Ų115.284%0.84379%0.787SS**  trans62.399.5170.6-61.6165.4000115.1
186A29.9Very low32.5Very low84 Ų84114.7 Ų114.769%0.69478%0.783SS**  cis62.3134.528.600000114.1
187T32.6Very low32.3Very low126 Ų126112.2 Ų112.277%0.77377%0.771SS**  cis-139.2-158.37.6-11.10000109.9
188D26.8Very low31.4Very low144 Ų144111.5 Ų111.577%0.7777%0.769SS**  cis-157.1167.912.1-136.7-53.6000112.1
189A32.2Very low31.5Very low83 Ų83112.2 Ų112.269%0.68676%0.762SS**  trans-160155.1178.800000116
190C34.7Very low31.8Very low137 Ų137112.6 Ų112.693%0.92676%0.76SS**  trans22.8140.3153.6-59.20000123.6
191G26.8Very low30.8Very low69 Ų69113.5 Ų113.571%0.71176%0.758SS**  trans-158.5164.2155.700000110.4
192T30.1Very low30.8Very low139 Ų139112 Ų11285%0.85375%0.749SS**  cis-160.6134.80.4-72.10000109.9
193G30.3Very low30.8Very low73 Ų73117.4 Ų117.475%0.75375%0.747SS**  trans38.9-173.2132.500000123.4
194S31.8Very low30.8Very low93 Ų93120.4 Ų120.465%0.6575%0.751SS**  cis-166.9157.7-11.1-150.10000111.4
195N29.5Very low30.7Very low139 Ų139122.6 Ų122.674%0.74375%0.749SS**  trans33.1170.9145.566.819.5000124.4
196S30.4Very low30.5Very low109 Ų109123.6 Ų123.676%0.76275%0.747SS**  cis-168.8141-44.6-82.90000113.3
197A30.1Very low30.4Very low68 Ų68125.7 Ų125.756%0.56275%0.751SS**  trans68.5165.3143.700000123.8
198S29.1Very low30.4Very low118 Ų118130.8 Ų130.883%0.82576%0.756SS**  trans94.7141.9167.4-51.10000117.7
199S28.1Very low31Very low92 Ų92129.3 Ų129.364%0.64375%0.754SS**  cis-174.4130.2-111770000114
200T33.2Very low31.2Very low121 Ų121130.3 Ų130.374%0.74275%0.754SS**  trans65.6157.9146.866.60000121.2
201L30.2Very low30.7Very low130 Ų130128.3 Ų128.368%0.68174%0.741SS**  cis-170.5165.3-7.9-114.9173.8000116.2
202K36.7Very low30.8Very low155 Ų155131.9 Ų131.967%0.67474%0.743SS**  trans75.8121154.5-62.8-50170.4-155.90123.8
203R33Very low30.6Very low218 Ų218133.9 Ų133.982%0.82374%0.74SS**  trans73.2154.1132.3-64.3175.6109.5137.64.7119.3
204T31.2Very low30.6Very low135 Ų135138.2 Ų138.283%0.82874%0.738SS**  cis-146.8-171.54.9-13.80000113.8
205K26.7Very low30.5Very low180 Ų180141.5 Ų141.578%0.78374%0.741SS**  trans-140.7144.7-161.7168.6179.2-179.8174.20113.7
206K28.3Very low30.3Very low183 Ų183142 Ų14280%0.79674%0.738SS**  trans66.4164.8172.4-78-176.4169.8-1730115.3
207T26.8Very low30.1Very low127 Ų127140.9 Ų140.978%0.77974%0.736SS**  cis-153.4160.319-26.60000113.9
208R32.8Very low29.8Very low234 Ų234143.3 Ų143.388%0.88374%0.744SS**  trans-104.9134.5165.1170.4-176.1-170.2-153.57.7109.1
209P39.1Very low29.8Very low113 Ų113147.1 Ų147.173%0.73475%0.746SS**  -156.4-154.1112.938.6-13.9000113.9
210P35.6Very low29.5Very low104 Ų104151.9 Ų151.968%0.67576%0.755SS**  -139.7164-79.144.6-28.1000118.4
211S25.2Very low29.4Very low94 Ų94151.3 Ų151.366%0.65775%0.753SS**  trans64.1140.7132.272.90000126.4
212L28.1Very low29.2Very low145 Ų145150.4 Ų150.476%0.75975%0.753SS**  trans91.4134.2132.8-82.3162.1000124
213K27.5Very low28.6Very low181 Ų181151.3 Ų151.379%0.78776%0.76SS**  trans76.2157.3150.5-71.5169.7-177.1173.50119.8
214K30Very low28.1Very low163 Ų163146.8 Ų146.871%0.70976%0.756SS**  cis179.4142.8-27.5169.9163.7-179169.60110.7
215K29.4Very low28.5Very low163 Ų163145.4 Ų145.471%0.70975%0.75SS**  trans66.2165.3165-82-172.8170.4-132.70116.8
216Q25.2Very low29.1Very low148 Ų148141.8 Ų141.869%0.69275%0.745SS**  cis-176.5169-27.1-177.4169.521.300109.3
217A25.5Very low28.9Very low86 Ų86138.6 Ų138.671%0.71174%0.741SS**  trans85.6152.415400000119.6
218T24.5Very low28.9Very low119 Ų119140.7 Ų140.773%0.7374%0.739SS**  cis-169.4152.3-29.1-690000107.3
219K28.1Very low28.6Very low199 Ų199136.3 Ų136.387%0.86573%0.728SS**  trans135.1120141-72.8-175.5-179.5-178.30116.9
220K21.9Very low27.9Very low191 Ų191135.1 Ų135.183%0.8372%0.719SS**  trans-68.2169.3148.2-115.8-177-178.7-178.70109.7
221P32.7Very low27.3Very low110 Ų110137.8 Ų137.871%0.71472%0.723SS**  cis-144.4167.749.246.4-26000114.7
222T24.9Very low27.2Very low111 Ų111141.2 Ų141.268%0.68173%0.728SS**  66.6137.7101.8-54.20000113.8
223E23.5Very low26.8Very low173 Ų173142.2 Ų142.281%0.80873%0.729SS**  cis-151.7171.734.7-147.1155.4137.500114.7
224T22.9Very low27.2Very low123 Ų123139 Ų13976%0.75573%0.726SS**  trans-103.7-15116253.70000108.3
225P40.3Very low26.9Very low107 Ų107134.1 Ų134.170%0.69572%0.722SS**  cis-120.8-129.2-20.332.2-6.7000108.9
226P39.5Very low26.6Very low103 Ų103135.5 Ų135.567%0.66973%0.731SS**  cis-139.3151.6-21.330.1-7000119.4
227V23.4Very low26.5Very low117 Ų117137 Ų13771%0.70974%0.738SS**  51.6122.5128.8-175.60000122.9
228K26.1Very low26.2Very low171 Ų171137.7 Ų137.774%0.74374%0.738SS**  -178.9122.8109.5-124.5123-170.3-169.20110.7
229E26.6Very low26.6Very low142 Ų142137.6 Ų137.666%0.66474%0.739SS**  74.3149.680.2-72.8-156.681.800115.7
230T24.5Very low26.3Very low88 Ų88134.8 Ų134.854%0.5474%0.739SS.*  cis-173.8164.5-6.7-93.10000110.3
231Q23.1Very low26.9Very low160 Ų160131.2 Ų131.275%0.74874%0.735SS**  trans74.8151.9159.9-88.6160.310.500120.3
232Q23Very low26.4Very low166 Ų166130.4 Ų130.478%0.77673%0.732SS**  cis-157.3172.2-9.6-148.4155.21.100114.2
233E19.4Very low26.4Very low166 Ų166132.7 Ų132.778%0.77674%0.735SS**  trans-56.3-176.9167.8-93-99110.300116.9
234P36.3Very low26.4Very low113 Ų113132.2 Ų132.273%0.73473%0.733SS**  cis-139.6-176.67.742.5-24.1000118.4
235G24.2Very low26.4Very low60 Ų60133.7 Ų133.762%0.61973%0.731SS**  trans126.8118131.700000122.4
236E23.3Very low25.6Very low192 Ų192136.1 Ų136.190%0.89774%0.737SS**  trans27.5152.9132.3-73.1169156.800123
237E22.9Very low24.8Very low179 Ų179135 Ų13584%0.83674%0.736SS**  cis-156.2-166-6-144.5-159.4131.400111.3
238S20.4Very low25.9Very low102 Ų102134.7 Ų134.771%0.71374%0.737SS**  trans-82.7178.7171-120.80000112.5
239P31.6Very low25.8Very low116 Ų116134.3 Ų134.375%0.75374%0.737SS**  cis-139.9-166.82842.2-21000115.5
240V22.3Very low25.8Very low141 Ų141132.5 Ų132.586%0.85574%0.736SS**  trans-144.6130.1176.5-175.40000112.3
241P33.9Very low25.7Very low116 Ų116137.5 Ų137.575%0.75375%0.751SS**  trans-126.4149.4176.439.2-26.3000117.7
242S23Very low25.8Very low92 Ų92135.4 Ų135.464%0.64375%0.749SS**  trans8.1132.4150.4-68.90000126.3
243E24.3Very low25.8Very low160 Ų160135.4 Ų135.475%0.74875%0.749SS**  68175.8129.3-75.861.1-81.400120
244E23.4Very low26Very low163 Ų163132.8 Ų132.876%0.76275%0.749SS**  cis-152.6159.511.9-147.2-166.9-88.100115.1
245H22.8Very low25.4Very low154 Ų154131.9 Ų131.971%0.71375%0.751SS**  trans36.1149.7149.8-96.6-62.2000128.2
246L23.8Very low25.3Very low158 Ų158135.2 Ų135.283%0.82776%0.76SS**  trans96.4142.1139.2-82.2162.6000123.5
247A21.7Very low25.7Very low79 Ų79131.1 Ų131.165%0.65375%0.749SS**  trans-140.1-158166.900000105.7
248P46.8Very low25.7Very low111 Ų111131.7 Ų131.772%0.72175%0.752SS**  cis-133.2-156.3-15.624.23.5000112.1
249E25.1Very low25.9Very low162 Ų162130 Ų13076%0.75775%0.751SS**  trans72.1162.9150.1-68.2-129.5161.400121
250T25.8Very low25.6Very low104 Ų104132.2 Ų132.264%0.63876%0.762SS**  cis-161.3165.8-28.328.60000110.2
251K23.9Very low25.6Very low194 Ų194128.9 Ų128.984%0.84376%0.757SS**  trans-171.2130141.9-101.8170.8178.8-175.20110.2
252T24.7Very low25.2Very low115 Ų115129.7 Ų129.771%0.70676%0.763SS**  81.313268.6-51.40000111
253E22.7Very low25.1Very low166 Ų166130.8 Ų130.878%0.77677%0.766SS**  cis-161.8153.329.1-149.9168.6127.600115.5
254S23.4Very low25Very low112 Ų112130 Ų13078%0.78377%0.766SS**  trans65.2162.2153.683.20000119.7
255A23.1Very low25Very low94 Ų94126.6 Ų126.678%0.77776%0.76SS**  cis-150.3162.9-200000111.8
256T23.5Very low25.5Very low130 Ų130129.4 Ų129.480%0.79877%0.774SS**  trans-106.2162.9172.3-14.40000111.9
257P30.5Very low25.5Very low105 Ų105128 Ų12868%0.68276%0.763SS**  -135.3147.3104.338.6-28.1000113
258E23.5Very low25.6Very low192 Ų192130.7 Ų130.790%0.89777%0.772SS**  49.4131.9101.4-45.8-173.6132.200115.8
259G23.7Very low24.6Very low66 Ų66130 Ų13068%0.6877%0.769SS**  cis163.1174.7-2.900000112.8
260T25.4Very low24.6Very low163 Ų163129.1 Ų129.1100%177%0.769SS**  trans76138.6178.1-28.20000115.8
261G23.7Very low24.4Very low71 Ų71131.8 Ų131.873%0.73277%0.774SS**  trans124.948168.200000117.5
262C24.1Very low24.4Very low132 Ų132127.8 Ų127.889%0.89277%0.771SS**  trans-98.784.3172-170.80000111.2
263T22Very low24.4Very low115 Ų115126.3 Ų126.371%0.70677%0.771SS**  trans-153.1116.2173.944.30000113
264L21.5Very low24.5Very low144 Ų144123.2 Ų123.275%0.75477%0.773SS**  trans64.5156.2133.8-65.3164.8000121.4
265S23.9Very low24.6Very low91 Ų91124.5 Ų124.564%0.63678%0.776SS**  trans64.793.3156.2-55.10000119.1
266E32.2Very low25.4Very low214 Ų214125.3 Ų125.3100%177%0.773SS**SBend-114.873.8104.9-162161.6-151.800107.4
267E24.3Very low25.3Very low127 Ų127125.2 Ų125.259%0.59377%0.773SS**  trans-122.8122.5-167.2-179.7-168.3153.100110.1
268T24.5Very low25Very low136 Ų136124.3 Ų124.383%0.83477%0.774SS**  trans162.8145.1145.830.60000106
269S24.9Very low25Very low96 Ų96121.6 Ų121.667%0.67177%0.771SS**  cis173127.23.1170.70000102.6
270L25.6Very low24.9Very low145 Ų145123.9 Ų123.976%0.75978%0.775SS**  cis-155.4173.124.2-86.3137.9000106.3
271E22.1Very low25.4Very low159 Ų159121.4 Ų121.474%0.74376%0.762SS**  cis-175.5121.3-5.8161.9163.8-137.400104
272S23.4Very low25.4Very low111 Ų111125.6 Ų125.678%0.77677%0.767SS**  54.7132.376.7-160.80000113.8
273A24Very low25.4Very low84 Ų84125.1 Ų125.169%0.69476%0.76SS**  cis-166.2178.9-19.100000109.5
274A25.1Very low25.6Very low101 Ų101126.8 Ų126.884%0.83576%0.764SS**  trans74.4134.515200000121.6
275V25.5Very low25.7Very low138 Ų138128.3 Ų128.384%0.83677%0.767SS**  trans-90.7138.7163.5166.30000106.1
276P39.6Very low25.7Very low111 Ų111128.1 Ų128.172%0.72177%0.765SS**  -156.4179.579.339.7-17.4000119.9
277T22Very low25.5Very low129 Ų129123.2 Ų123.279%0.79175%0.75SS**  trans96.7100.9149.52.20000120.6
278A23.3Very low25.7Very low86 Ų86125.8 Ų125.871%0.71176%0.762SS**  trans80.7146.413300000122.9
279T24.3Very low25.8Very low134 Ų134126.4 Ų126.482%0.82276%0.76SS**  trans91.6101.7155.6-41.60000118.2
280C22.1Very low26.1Very low115 Ų115127.1 Ų127.178%0.77776%0.76SS**  trans-78.6159154.9-41.10000109.3
281P36.4Very low26Very low111 Ų111125.5 Ų125.572%0.72176%0.761SS**  -126.2179.465.413.512.4000112
282L23.5Very low26.9Very low159 Ų159123.2 Ų123.283%0.83276%0.76SS**  49.713961.7-53170.7000112.3
283T22.9Very low26.9Very low121 Ų121125.5 Ų125.574%0.74276%0.763SS**  cis-140.2160.212.61.50000108.4
284L25.7Very low27.1Very low150 Ų150127.4 Ų127.479%0.78577%0.765SS**  44142.787-150.177.7000116.1
285E24.8Very low27.2Very low177 Ų177128.1 Ų128.183%0.82776%0.764SS**  trans71.9150.6174.2-69.5-162.610200117.2
286S23.2Very low27.3Very low86 Ų86125.4 Ų125.460%0.60176%0.764SS**  cis-169.3176-19.5-173.40000109.2
287V27.8Very low26.9Very low112 Ų112124 Ų12468%0.67977%0.77SS**  trans60131162.9-79.20000118.9
288E28.8Very low27.6Very low181 Ų181121.7 Ų121.785%0.84677%0.772SS**  57.3137.285.9-63.4-175138.600113.7
289D27Very low28.2Very low148 Ų148128.3 Ų128.379%0.79178%0.779SS**  cis-163.8-162.90.416742.8000107.5
290V30Very low29.1Very low111 Ų111127.8 Ų127.867%0.67378%0.775SS**  trans88.884.1158.4-165.70000115.9
291S24.9Very low29.9Very low112 Ų112129.8 Ų129.878%0.78377%0.773SS**  trans-64.6151.7145.1-650000110.2
292P39.5Very low29.4Very low111 Ų111131.4 Ų131.472%0.72178%0.776SS**  -152.1133.1104.533.4-13.6000117.7
293L24.7Very low30Very low159 Ų159129.4 Ų129.483%0.83278%0.775SS**  72.7110.2118.9-152.971.6000121.6
294V27Very low32.2Very low123 Ų123129.3 Ų129.375%0.74578%0.776SS**  trans68.4120.9136.1171.10000120.7
295S28Very low34.1Very low116 Ų116128 Ų12881%0.81178%0.777SS**  166.4135.396-153.70000116
296G28.5Very low34.7Very low81 Ų81126.7 Ų126.784%0.83578%0.781SS**  trans66.8162.5153.100000119.8
297G30.6Very low35.1Very low82 Ų82125.9 Ų125.985%0.84579%0.785SS**  cis155.790.1-11.600000116.2
298G36.6Very low35.6Very low81 Ų81132 Ų13284%0.83580%0.796SS**  trans85.7166.2169.300000116.3
299R35.8Very low35.7Very low225 Ų225132.8 Ų132.885%0.84980%0.797SS**  cis-162.1118.819.9176.6-174.2178.7-1720.2115.6
300V42.6Very low35.6Very low122 Ų122131.5 Ų131.574%0.73980%0.799SS**  trans38.3129132.5-159.80000123
301Q40Very low35.5Very low158 Ų158132.8 Ų132.874%0.73881%0.807SS**  165.6148.3124.8-90177.5116.900111
302N26.5Very low36.8Very low145 Ų145132.6 Ų132.678%0.77580%0.804SS**  cis-140.8-17427-68.9-85.5000113
303S35.4Very low36.2Very low117 Ų117134.3 Ų134.382%0.81881%0.806SS**  trans-142.4166.5-164.1-48.20000117.7
304P69.4Low36.1Very low118 Ų118132.6 Ų132.677%0.76680%0.802SS**  trans-120.9171.7176.642.7-32.6000116.7
305P64.3Low36Very low124 Ų124132.8 Ų132.881%0.80580%0.804SS**  trans-109.1170175.440.6-33.8000115.8
306V39Very low35.8Very low149 Ų149131.2 Ų131.290%0.90380%0.798SS**  trans-147.8147.6-172-177.20000114.7
307G31.9Very low35.6Very low68 Ų68132 Ų13270%0.70179%0.791SS**  trans-179165.8160.100000115.6
308R37.9Very low35.3Very low241 Ų241136.4 Ų136.491%0.90979%0.789SS**  cis-178.4133.6-9.6-115.3-178.6-179-147.7-0.8110.9
309K29.5Very low34.8Very low197 Ų197136.2 Ų136.286%0.85778%0.78SS**  trans144.9129.5141.9-82.2168.6-179.11800117.3
310S26.8Very low34.4Very low121 Ų121132.7 Ų132.785%0.84678%0.783SS**  trans60.3153.8151.245.90000122
311V27.1Very low33.6Very low138 Ų138135.7 Ų135.784%0.83679%0.789SS**  trans-153.5157.5-163.9142.60000106.9
312P52Low33Very low109 Ų109134.1 Ų134.171%0.70879%0.79SS**  cis-111.9-148.820.136.8-17.3000112.7
313L26.3Very low32.9Very low146 Ų146132.7 Ų132.776%0.76479%0.787SS**  cis-154.2178.822.9-157.539.5000107.9
314T22.8Very low32.4Very low124 Ų124134.9 Ų134.976%0.76179%0.788SS**  cis-160.6-175.135.5-45.80000112.6
315T24.7Very low31.2Very low126 Ų126134.8 Ų134.877%0.77379%0.787SS**  trans-75154.4-172.5-48.10000117.3
316A25.1Very low29.3Very low83 Ų83137 Ų13769%0.68679%0.793SS**  trans72.8123.2165.900000116.5
317S23.2Very low28.7Very low98 Ų98133.1 Ų133.169%0.68578%0.783SS**  76.7136.461-67.10000112.5
318E24.6Very low28.4Very low174 Ų174134 Ų13481%0.81379%0.792SS**  cis-168.4172.90.2-118.5158.168.300108.2
319A25.6Very low27.8Very low77 Ų77126 Ų12664%0.63678%0.784SS**  cis-159.2-167.51.200000110
320V27.7Very low27.6Very low152 Ų152125.2 Ų125.292%0.92178%0.783SS**  trans82130.7166.6-168.60000116.9
321E26Very low27.6Very low184 Ų184127.3 Ų127.386%0.8678%0.78SS**  trans-133.5170.6-165.4-175.8168.6-176.500112.2
322V27.2Very low27.7Very low125 Ų125128.1 Ų128.176%0.75878%0.779SS**  trans-119.5118.9-168170.40000112.6
323T24Very low26.7Very low116 Ų116130.1 Ų130.171%0.71278%0.783SS**  trans46.2117.8137.5-50.70000121.4
324L25Very low27Very low163 Ų163128.8 Ų128.885%0.85378%0.783SS**  trans82.8160.3154.2-71171.4000119.5
325P45.3Very low27.3Very low115 Ų115127 Ų12775%0.74778%0.781SS**  trans-123.4171.4-147.444.6-34.4000116.9
326D22.7Very low27.6Very low172 Ų172131 Ų13192%0.9279%0.788SS**  trans-164162.9144.3-169.620.8000110.8
327G26.8Very low28Very low67 Ų67130.6 Ų130.669%0.69179%0.791SS**  trans135.6109.3164.200000116.8
328G25.5Very low28.5Very low86 Ų86134.6 Ų134.689%0.88780%0.804SS**  trans-86.9-171.5166.400000113.2
329G25.5Very low29Very low72 Ų72131.4 Ų131.474%0.74280%0.801SS**  cis162.2172.21.400000110.3
330Q26.7Very low29.3Very low181 Ų181134.1 Ų134.185%0.84681%0.809SS**  trans66.9144.8178.7-93.9-176.9-85.200115
331E26.3Very low29.8Very low166 Ų166136.1 Ų136.178%0.77680%0.8SS**  cis-140.6-176.83.5-61.7-153.1104.700112.8
332D28.7Very low30.2Very low154 Ų154134.2 Ų134.282%0.82480%0.795SS**  trans95.4146.6154.5-144.49.6000119.7
333L30.3Very low30.7Very low151 Ų151133.7 Ų133.779%0.79179%0.785SS**  trans-145.5134.6-175.3-84.9174000108.3
334P34.2Very low30.9Very low119 Ų119138.4 Ų138.477%0.77380%0.795SS**  -155.2174.182.140.6-22.4000117.9
335A27.8Very low31.3Very low85 Ų85136.3 Ų136.370%0.70279%0.785SS**  trans79.4130153.100000119.8
336K32.1Very low30.7Very low212 Ų212142 Ų14292%0.92279%0.793SS**  trans58.3101.6167-54.9173.9-175.5176.90115
337G32.3Very low31.4Very low74 Ų74138.4 Ų138.476%0.76378%0.782SS**  cis129.8145.31.400000111.5
338L33.4Very low31.5Very low182 Ų182144 Ų14495%0.95379%0.79SS**  trans-171138.3159.3-102.7169.8000107.1
339S36.8Very low31.6Very low106 Ų106146.2 Ų146.274%0.74178%0.781SS**  trans-94.6137-179.151.20000112.3R341S339-R341 PolarHBondContact O-N 3.45Å
340V31.3Very low32Very low135 Ų135152.6 Ų152.682%0.81879%0.789SS**  trans-3.2113.1144178.60000113.2
341R37.6Very low32.1Very low194 Ų194146.5 Ų146.573%0.73278%0.775SS**  69.8100.956.5-173.3-169.7161.1172.7-5.3114.3S339 E343S339-R341 PolarHBondContact O-N 3.45Å; R341-E343 IonicContact CZ-OE1 2.81Å; R341-E343 IonicContact NE-OE1 2.79Å; R341-E343 PolarHBondContact NE-OE1 3.39Å; R341-E343 IonicContact NH2-OE1 2.69Å; R341-E343 PolarHBondContact NH2-OE1 3.06Å
342L35.4Very low32.1Very low143 Ų143143.5 Ų143.575%0.74977%0.772SS**  trans-164.8110.5131.9-121.256.5000104.1
343E36.7Very low31.9Very low115 Ų115146.3 Ų146.354%0.53777%0.771SS.*  61.8109.287.3-65.3163.9-146.500112.7R341R341-E343 IonicContact CZ-OE1 2.81Å; R341-E343 IonicContact NE-OE1 2.79Å; R341-E343 PolarHBondContact NE-OE1 3.39Å; R341-E343 IonicContact NH2-OE1 2.69Å; R341-E343 PolarHBondContact NH2-OE1 3.06Å
344F29.3Very low31.7Very low214 Ų214146.3 Ų146.394%0.93977%0.767SS**  trans-143.4143.1134.5-104.9-73.3000109.3
345D33.5Very low31.2Very low119 Ų119145.6 Ų145.664%0.63677%0.765SS**  trans-85.5158-171.1-152.6-34.3000111.7S347D345-S347 PolarHBondContact OD1-N 3.01Å
346Y31.2Very low31.1Very low235 Ų235149.9 Ų149.992%0.92277%0.77SS**  trans-137.430.5169.5-96.1-75.3000113.2
347S37.5Very low30.8Very low96 Ų96148.6 Ų148.667%0.67177%0.767SS**  trans-88.3140.4136.8-43.80000106.9D345D345-S347 PolarHBondContact OD1-N 3.01Å
348E29.8Very low30.4Very low185 Ų185153.6 Ų153.686%0.86477%0.771SS**  cis-159.8141.411.7164.6179.2-142.700107.8
349D26.7Very low30Very low132 Ų132151.8 Ų151.871%0.70676%0.762SS**  trans-152.6136.6135.5-172.827.6000110.6G351D349-G351 VanDerWaalsContact CG-N 3.26Å; D349-G351 PolarHBondContact OD1-N 3.4Å; D349-G351 WeakPolarHBondContact OD2-CA 3.36Å; D349-G351 PolarHBondContact OD2-N 2.67Å
350K34.3Very low29.4Very low207 Ų207151 Ų15190%0.976%0.763SS**  trans-124.732.9166.5-134-174.2-175.1-174.70113.8
351G28.2Very low29.8Very low53 Ų53150.1 Ų150.155%0.54676%0.759SS.*  trans99.3150.8147.900000115.2D349D349-G351 VanDerWaalsContact CG-N 3.26Å; D349-G351 PolarHBondContact OD1-N 3.4Å; D349-G351 WeakPolarHBondContact OD2-CA 3.36Å; D349-G351 PolarHBondContact OD2-N 2.67Å
352S27.4Very low29.8Very low102 Ų102145.8 Ų145.871%0.71376%0.756SS**  trans-158.5177.4163.1-164.80000110.8
353W24.6Very low29.5Very low214 Ų214144.6 Ų144.681%0.81176%0.755SS**  trans108127.7170.8-78.6-79.5000116.5
354E25.8Very low29.2Very low151 Ų151147.6 Ų147.671%0.70677%0.766SS**  cis-144.4136.43.5-177.4138.2-128.600113.5
355S23.2Very low29.4Very low104 Ų104146.4 Ų146.473%0.72776%0.761SS**  17791.5128.5-80.20000113.5
356Q24.9Very low29.3Very low175 Ų175148.6 Ų148.682%0.81877%0.771SS**  165.8114.8126.3-94.5177.872.400114.8
357Q26.8Very low29.2Very low184 Ų184140.4 Ų140.486%0.8676%0.757SS**  59.1144.8121.5-158.2164.45.700122.5
358E23.3Very low29.2Very low179 Ų179145.4 Ų145.484%0.83677%0.767SS**  trans-87.7-171-171.8-141.6-170.6136.900115.8
359N24.8Very low29.6Very low144 Ų144146.6 Ų146.677%0.7777%0.77SS**  trans-97.1141-147.2-77.2-84.9000119.2
360A24.8Very low30.4Very low91 Ų91145.9 Ų145.975%0.75277%0.772SS**  trans67.6172.814000000120.5
361P39.8Very low29.9Very low116 Ų116142.3 Ų142.375%0.75377%0.767SS**  cis-132.2-16.4-840.8-30.8000124.8
362P38.5Very low29.9Very low102 Ų102143.6 Ų143.666%0.66277%0.773SS**  trans-115.4105.8-130.431.5-15.2000121.4
363T27.8Very low30.1Very low118 Ų118148.8 Ų148.872%0.72478%0.783SS**  trans76.8136.7136.568.90000125.1
364K31.5Very low30.2Very low179 Ų179146.9 Ų146.978%0.77879%0.785SS**  trans81.1101.1142.5-72.9158.2-174168.10123.1
365K33.3Very low30.9Very low188 Ų188144.5 Ų144.582%0.81778%0.783SS**  81.2137.3127.9-66.3-169.6174.9-172.70122.5
366I31.2Very low31.3Very low166 Ų166146 Ų14685%0.85178%0.782SS**  trans74.5137.2156-120.669.1000116.5
367G28.4Very low31.8Very low62 Ų62149.2 Ų149.264%0.63979%0.786SS**  cis165.2163-16.400000114.9
368K38.1Very low32.1Very low201 Ų201150.6 Ų150.687%0.87478%0.783SS**  trans71.2101.7164.4-56.9177.8-180177.90120.2
369K38.2Very low32.7Very low211 Ų211148.2 Ų148.292%0.91778%0.783SS**  43.2156.9125.6-72.6-167174.4-172.80122.7
370P44.3Very low32.7Very low117 Ų117150.1 Ų150.176%0.7679%0.785SS**  trans-121.7-165.8-154.138.1-20000115.3
371V23.7Very low33Very low132 Ų132152.6 Ų152.680%0.879%0.785SS**  trans128.5106.7150.21770000116.8
372A26.6Very low32.4Very low80 Ų80155.9 Ų155.966%0.66179%0.787SS**  trans61.5141.5136.700000126.3
373K31.7Very low32.1Very low211 Ų211160.2 Ų160.292%0.91780%0.796SS**  trans88.7153.2145.2-76.5165.4-177.8179.50121.7
374M27.4Very low31.8Very low173 Ų173160.5 Ų160.585%0.85280%0.798SS**  trans-75.1-177.9-178.7-62.1-173.780.200112.1
375P41.6Very low32Very low102 Ų102157.4 Ų157.466%0.66280%0.795SS**  cis-159.8177.126.447-24.2000122.9
376L31.5Very low31.5Very low135 Ų135155.4 Ų155.471%0.70779%0.789SS**  trans53128.8140.2-76.1163.4000123.2
377R34.4Very low31.2Very low242 Ų242155 Ų15591%0.91378%0.781SS**  -169.5173.3111.1-105.8171.3-176.586.4-4.5115.7
378R33.7Very low31.1Very low213 Ų213159.5 Ų159.580%0.80479%0.79SS**  trans-123.9169-174.7-52.2170.6174.6149-7.2111.8
379P35.3Very low30.4Very low129 Ų129156.4 Ų156.484%0.83878%0.783SS**  trans-101.8-178.1145.8-9.729.7000114.6
380K25.9Very low29.8Very low185 Ų185152 Ų15280%0.80477%0.769SS**  trans-149.8170.7-177.4-60.7175.4178.1177.40110.6
381L29.4Very low29.2Very low142 Ų142152.4 Ų152.474%0.74377%0.77SS**  173.7126.4114.7-111.890.5000116.2
382K28.8Very low29.6Very low185 Ų185151.9 Ų151.980%0.80477%0.769SS**  trans54.9164.2142.7-58.6-174.1-175.4179.70119.7
383K30.5Very low29.6Very low194 Ų194153 Ų15384%0.84378%0.778SS**  cis-153.4163.512.2-149.9174.9-179.2-174.90111.5
384T22.8Very low29.5Very low124 Ų124148.5 Ų148.576%0.76177%0.773SS**  trans-118.5-178.717455.20000111.1
385P34.7Very low29.9Very low113 Ų113145.6 Ų145.673%0.73477%0.767SS**  -114.9-159.66842.9-38.9000112.4
386E23.1Very low29.5Very low147 Ų147146 Ų14669%0.68777%0.77SS**  cis-156.4-170.110.4-141.1-168.2-174.100107.5
387K26Very low29.2Very low158 Ų158150.2 Ų150.269%0.68778%0.776SS**  cis-152.1-1331.8-157.3-178.3-16283.30111.1
388L26Very low28.7Very low156 Ų156143.4 Ų143.482%0.81777%0.766SS**  trans-141.7147.6-176.8-75.9161.2000108.7
389D24Very low29Very low135 Ų135138.9 Ų138.972%0.72276%0.764SS**  -165.1154.980.4-158.840.4000116.2
390N25.4Very low28.6Very low120 Ų120137.5 Ų137.564%0.64276%0.764SS**  trans25.3108.1161.2-71-48.7000126
391T30Very low28.8Very low125 Ų125137.6 Ų137.677%0.76777%0.767SS**  59.9170.9117.810.80000122.1
392P32.1Very low29.3Very low120 Ų120136.6 Ų136.678%0.77977%0.769SS**  -130.1169.8-126.342.4-23.4000118.1
393A27.8Very low29.6Very low103 Ų103132.6 Ų132.685%0.85176%0.764SS**  trans-148.9160.2159.400000110.7
394S30.1Very low29.6Very low117 Ų117130.8 Ų130.882%0.81876%0.764SS**  trans-120.4-150.8-168.7560000113.4
395P35.2Very low30.3Very low112 Ų112131.6 Ų131.673%0.72776%0.762SS**  -110-152.3-129.837.1-14.1000110.9
396P33.6Very low30.4Very low110 Ų110132.3 Ų132.371%0.71477%0.767SS**  cis-144.9165.9-146.4-27.8000118.9
397R23.9Very low30.8Very low224 Ų224133 Ų13385%0.84577%0.773SS**  50.395.1127.4-167.7177.8-165168.26.3121.9
398S24.2Very low31.1Very low99 Ų99130 Ų13069%0.69278%0.778SS**  51.3-169.6124.977.30000120.8
399P39.4Very low31.8Very low118 Ų118132.8 Ų132.877%0.76678%0.784SS**  cis-120.7-179-34.836.8-21.6000112.2
400A27.1Very low32.3Very low101 Ų101129.8 Ų129.884%0.83579%0.785SS**  trans171.7128.8131.500000113.9
401E30.4Very low33Very low186 Ų186131.2 Ų131.287%0.86980%0.798SS**  trans-82.8176.2153.7-104.6-178162.100109.6
402P41.4Very low33.3Very low122 Ų122131.8 Ų131.879%0.79279%0.787SS**  cis-143.6-173.930.942.4-21.1000117.7
403S34.7Very low34.2Very low100 Ų100132.2 Ų132.270%0.69979%0.787SS**  trans-80157.917554.20000115.1
404D28.9Very low35.2Very low157 Ų157134.6 Ų134.684%0.8478%0.779SS**  -162.8169.9118.9-130.4-39000113.7
405I38.1Very low36.5Very low140 Ų140132.9 Ų132.972%0.71876%0.76SS**  trans-133.6138.1-174.4-45.9173.2000111.3
406P36.8Very low37.8Very low128 Ų128133.5 Ų133.583%0.83176%0.757SS**  trans-140.3158.4133.233.3-18.1000115.2
407I32.4Very low39.2Very low161 Ų161135.8 Ų135.883%0.82676%0.763SS**  trans-87.2138.7-176.6-63.4163.7000111.3
408A32.2Very low41.2Very low95 Ų95130.1 Ų130.179%0.78574%0.744SS**  trans-125.7140.2162.800000110.8
409K39.8Very low42.9Very low215 Ų215135 Ų13594%0.93575%0.747SS**  trans-86.4124.3178.2-63175.9-177.61760109.6
410G33.8Very low43.8Very low72 Ų72137.2 Ų137.274%0.74275%0.753SS**  trans-155.5140.9176.700000111.9Y412G410-Y412 PolarHBondContact O-N 2.87Å
411T41Very low46Very low151 Ų151136.7 Ų136.793%0.92674%0.736SS**  trans-76.9120.2-175.6-34.10000110.7
412Y35.5Very low47.7Very low137 Ų137134.3 Ų134.354%0.53774%0.737SS.*  trans-118.2119.3178.1-169.3-85.8000110.4G410 F414 P426G410-Y412 PolarHBondContact O-N 2.87Å; Y412-F414 HydrophobicContact CD1-CD1 4.13Å; Y412-F414 AromaticContact CD1-CD2 3.9Å; Y412-F414 HydrophobicContact CD1-CD2 3.9Å; Y412-F414 AromaticContact CD1-CE1 3.9Å; Y412-F414 HydrophobicContact CD1-CE1 3.9Å; Y412-F414 AromaticContact CD1-CE2 3.65Å; Y412-F414 HydrophobicContact CD1-CE2 3.65Å; Y412-F414 HydrophobicContact CD1-CG 4.13Å; Y412-F414 AromaticContact CD1-CZ 3.65Å; Y412-F414 HydrophobicContact CD1-CZ 3.65Å; Y412-F414 AromaticContact CE1-CD1 3.79Å; Y412-F414 HydrophobicContact CE1-CD1 3.79Å; Y412-F414 HydrophobicContact CE1-CD2 4.4Å; Y412-F414 AromaticContact CE1-CE1 3.59Å; Y412-F414 HydrophobicContact CE1-CE1 3.59Å; Y412-F414 HydrophobicContact CE1-CE2 4.23Å; Y412-F414 HydrophobicContact CE1-CG 4.19Å; Y412-F414 AromaticContact CE1-CZ 3.83Å; Y412-F414 HydrophobicContact CE1-CZ 3.83Å; Y412-P426 PolarHBondContact OH-O 2.82Å
413T51.1Low48.6Very low128 Ų128135.5 Ų135.579%0.78574%0.737SS**  trans-90110.2178.848.50000110.6
414F50Low50.3Low153 Ų153135.9 Ų135.967%0.67173%0.726SS**  trans-79125.8170-67.9-86.2000110.3Y412Y412-F414 HydrophobicContact CD1-CD1 4.13Å; Y412-F414 AromaticContact CD1-CD2 3.9Å; Y412-F414 HydrophobicContact CD1-CD2 3.9Å; Y412-F414 AromaticContact CD1-CE1 3.9Å; Y412-F414 HydrophobicContact CD1-CE1 3.9Å; Y412-F414 AromaticContact CD1-CE2 3.65Å; Y412-F414 HydrophobicContact CD1-CE2 3.65Å; Y412-F414 HydrophobicContact CD1-CG 4.13Å; Y412-F414 AromaticContact CD1-CZ 3.65Å; Y412-F414 HydrophobicContact CD1-CZ 3.65Å; Y412-F414 AromaticContact CE1-CD1 3.79Å; Y412-F414 HydrophobicContact CE1-CD1 3.79Å; Y412-F414 HydrophobicContact CE1-CD2 4.4Å; Y412-F414 AromaticContact CE1-CE1 3.59Å; Y412-F414 HydrophobicContact CE1-CE1 3.59Å; Y412-F414 HydrophobicContact CE1-CE2 4.23Å; Y412-F414 HydrophobicContact CE1-CG 4.19Å; Y412-F414 AromaticContact CE1-CZ 3.83Å; Y412-F414 HydrophobicContact CE1-CZ 3.83Å
415D56.8Low51.7Low81 Ų81132.8 Ų132.843%0.43371%0.709SS.*  trans-98.3116.2174-171.8-10.3000109D417 K418 W419D415-D417 PolarHBondContact OD1-N 3.08Å; D415-K418 HydrophobicContact CB-CD 4.17Å; D415-K418 WeakPolarHBondContact OD2-CD 3.46Å; D415-K418 WeakPolarHBondContact OD2-CE 3.48Å; D415-W419 PolarHBondContact O-NE1 3.43Å
416I61.7Low52.4Low126 Ų126129.4 Ų129.465%0.64670%0.696SS**G310 helixtrans-80.1-27.3-169.8-63.9176.2000111.5K418 W419I416-K418 PolarHBondContact O-N 3.35Å; I416-W419 PolarHBondContact O-N 2.89Å
417D63.8Low53Low157 Ų157132 Ų13284%0.8470%0.695SS**G310 helixtrans-75.23.2-176.4-68.6-21000113.5D415D415-D417 PolarHBondContact OD1-N 3.08Å
418K65.9Low53.6Low106 Ų106128.1 Ų128.146%0.46168%0.682SS.*G310 helixtrans-109.71-178.1-64-178.2-177.8-67.30114.8D415 I416 D420 D421 F424D415-K418 HydrophobicContact CB-CD 4.17Å; D415-K418 WeakPolarHBondContact OD2-CD 3.46Å; D415-K418 WeakPolarHBondContact OD2-CE 3.48Å; I416-K418 PolarHBondContact O-N 3.35Å; K418-D420 PolarHBondContact O-N 2.88Å; K418-D421 PolarHBondContact O-N 2.92Å; K418-F424 HydrophobicContact CB-CD2 4.32Å; K418-F424 HydrophobicContact CB-CE2 4.26Å; K418-F424 HydrophobicContact CD-CE2 4.31Å
419W60.7Low54Low200 Ų200128.9 Ų128.976%0.75868%0.682SS**THydrogen-bonded Turntrans-69.6-12.3-173.5-75.547.6000114.5D415 I416D415-W419 PolarHBondContact O-NE1 3.43Å; I416-W419 PolarHBondContact O-N 2.89Å
420D58.3Low54.3Low165 Ų165125 Ų12588%0.88268%0.677SS**THydrogen-bonded Turntrans-104.311.9-179-14013.1000112.7K418 P422K418-D420 PolarHBondContact O-N 2.88Å; D420-P422 WeakPolarHBondContact O-CD 3.27Å
421D72.6Confident54.5Low90 Ų90126.8 Ų126.848%0.48168%0.677SS.*  trans-87.8110.1171.4-177.2-15.3000110.4K418 N423 F424K418-D421 PolarHBondContact O-N 2.92Å; D421-N423 PolarHBondContact O-N 2.86Å; D421-N423 PolarHBondContact OD1-N 3.21Å; D421-F424 HydrophobicContact CB-CB 4.28Å; D421-F424 WeakPolarHBondContact O-CB 3.43Å; D421-F424 PolarHBondContact O-N 3.04Å; D421-F424 VanDerWaalsContact O-N 3.15Å
422P65.9Low54.5Low137 Ų137129.1 Ų129.189%0.8968%0.675SS**THydrogen-bonded Turntrans-71.31.6-175.831.6-37.3000114.4D420D420-P422 WeakPolarHBondContact O-CD 3.27Å
423N61.1Low54.3Low146 Ų146130.5 Ų130.578%0.78169%0.688SS**THydrogen-bonded Turntrans-118.815.7174.5-157.836.1000112.8D421 N425D421-N423 PolarHBondContact O-N 2.86Å; D421-N423 PolarHBondContact OD1-N 3.21Å; N423-N425 PolarHBondContact O-N 3.42Å; N423-N425 VanDerWaalsContact O-N 3.16Å
424F69Low53.5Low109 Ų109133.1 Ų133.148%0.47869%0.691SS.*  trans-68.9106.3177.7-174.6-97000112.1K418 D421 P426K418-F424 HydrophobicContact CB-CD2 4.32Å; K418-F424 HydrophobicContact CB-CE2 4.26Å; K418-F424 HydrophobicContact CD-CE2 4.31Å; D421-F424 HydrophobicContact CB-CB 4.28Å; D421-F424 WeakPolarHBondContact O-CB 3.43Å; D421-F424 PolarHBondContact O-N 3.04Å; D421-F424 VanDerWaalsContact O-N 3.15Å; F424-P426 HydrophobicContact CE1-CB 4.08Å; F424-P426 WeakPolarHBondContact O-CD 3.47Å
425N59Low52.7Low92 Ų92135.3 Ų135.349%0.49270%0.704SS.*  trans-96.5108.5173.9173.65.6000110.8N423 F427 S428N423-N425 PolarHBondContact O-N 3.42Å; N423-N425 VanDerWaalsContact O-N 3.16Å; N425-F427 PolarHBondContact O-N 3.12Å; N425-F427 VanDerWaalsContact O-N 3.16Å; N425-F427 PolarHBondContact OD1-N 2.88Å; N425-F427 VanDerWaalsContact OD1-N 3.11Å; N425-S428 WeakPolarHBondContact CB-OG 3.31Å; N425-S428 PolarHBondContact ND2-OG 3.37Å; N425-S428 WeakPolarHBondContact O-CB 3.35Å; N425-S428 PolarHBondContact O-N 2.9Å; N425-S428 PolarHBondContact O-OG 2.84Å
426P53.7Low51.6Low68 Ų68136.6 Ų136.644%0.44272%0.719SS.*THydrogen-bonded Turntrans-69.2-12.7-173.528.2-35.9000114.8Y412 F424Y412-P426 PolarHBondContact OH-O 2.82Å; F424-P426 HydrophobicContact CE1-CB 4.08Å; F424-P426 WeakPolarHBondContact O-CD 3.47Å
427F49Very low50.5Low182 Ų182137 Ų13780%0.79873%0.73SS**THydrogen-bonded Turntrans-93.88.6177.8-66.5-77000113.7N425 S429N425-F427 PolarHBondContact O-N 3.12Å; N425-F427 VanDerWaalsContact O-N 3.16Å; N425-F427 PolarHBondContact OD1-N 2.88Å; N425-F427 VanDerWaalsContact OD1-N 3.11Å; F427-S429 PolarHBondContact O-N 3.45Å
428S43.6Very low49Very low81 Ų81135.9 Ų135.957%0.56673%0.729SS**  trans-74.741.7-178.5-49.50000114.2N425N425-S428 WeakPolarHBondContact CB-OG 3.31Å; N425-S428 PolarHBondContact ND2-OG 3.37Å; N425-S428 WeakPolarHBondContact O-CB 3.35Å; N425-S428 PolarHBondContact O-N 2.9Å; N425-S428 PolarHBondContact O-OG 2.84Å
429S41.2Very low47.3Very low111 Ų111138.8 Ų138.878%0.77675%0.748SS**  trans-67.9136.6174.4-170.80000110.5F427 S431F427-S429 PolarHBondContact O-N 3.45Å; S429-S431 VanDerWaalsContact C-N 3.35Å; S429-S431 PolarHBondContact O-N 3.48Å
430T45.9Very low45.7Very low134 Ų134134.9 Ų134.982%0.82275%0.752SS**  trans-74.883.1-173.753.30000111.7K432T430-K432 PolarHBondContact O-N 3.34Å; T430-K432 VanDerWaalsContact O-N 3.14Å
431S39.4Very low44.3Very low108 Ų108135.5 Ų135.576%0.75575%0.749SS**  trans-61.2114.2171.5-173.40000110.7S429S429-S431 VanDerWaalsContact C-N 3.35Å; S429-S431 PolarHBondContact O-N 3.48Å
432K39.7Very low42.1Very low201 Ų201140.3 Ų140.387%0.87477%0.769SS**  trans-131.4105.7161.4-77.6-167.4174.8-172.10108.1T430T430-K432 PolarHBondContact O-N 3.34Å; T430-K432 VanDerWaalsContact O-N 3.14Å
433M32.6Very low40.4Very low165 Ų165139 Ų13981%0.81376%0.763SS**  trans-127.4159.9167.5-71.3-168.671.200109.4
434Q34.5Very low38.8Very low184 Ų184142.3 Ų142.386%0.8677%0.766SS**  trans70.6100.6173.1-51.7-174.7-71.800116.6
435E31.8Very low37Very low199 Ų199143.5 Ų143.593%0.9378%0.777SS**  -145.5148.6113.1-118175.9-178.600109.2
436S34.9Very low35.7Very low108 Ų108148.4 Ų148.476%0.75579%0.794SS**  trans-107.9137.4-168.4-59.40000112T438S436-T438 PolarHBondContact O-N 2.85Å
437P37.4Very low34.6Very low135 Ų135151.3 Ų151.388%0.87781%0.806SS**  trans-74.9115.7171.5-11.527.5000111.2
438T32Very low34.4Very low133 Ų133147.6 Ų147.682%0.81680%0.8SS**  trans-80.6147.8167.746.90000111.7S436S436-T438 PolarHBondContact O-N 2.85Å
439L30Very low34Very low166 Ų166151.5 Ų151.587%0.86982%0.815SS**  trans-57.7137.1178.8-77.9162.4000113.7
440S27.9Very low33.8Very low118 Ų118151.1 Ų151.183%0.82582%0.818SS**  trans-91.5107.4161.156.90000110.4
441Q28.8Very low33Very low178 Ų178150.1 Ų150.183%0.83282%0.816SS**  trans-90128.2167.1-76.1-171.8-16.800110.8
442Q26.9Very low32.6Very low192 Ų192153.3 Ų153.390%0.89782%0.819SS**  trans-173.8127.3132.4-106.3170.415.100112.2
443S29.8Very low32.1Very low108 Ų108151.8 Ų151.876%0.75582%0.815SS**  trans51.6118.4151.9-173.60000118.4
444Y27.1Very low32.2Very low216 Ų216148.3 Ų148.385%0.84781%0.806SS**  cis-161.617448.6-165.2-105000112.1
445N32.6Very low32.2Very low134 Ų134147 Ų14772%0.71781%0.805SS**  trans-101.4148.9-175.1-95.6-93.9000114.3
446F30.1Very low32.3Very low195 Ų195145 Ų14586%0.85580%0.8SS**  -156.8166.9122.8-143.1-102000113.4
447D32Very low32.7Very low129 Ų129143.9 Ų143.969%0.6979%0.79SS**  trans-74.1164.1-166.2-99.4-24.1000117
448P44Very low32.3Very low104 Ų104146.7 Ų146.768%0.67579%0.789SS**  trans-92.3140.1170.636.8-30.8000113.1
449D34.9Very low32.3Very low164 Ų164150.7 Ų150.788%0.87780%0.795SS**  trans-180107.6138.4-101.8-18.7000109.8
450A37.1Very low32.2Very low102 Ų102147.3 Ų147.384%0.84379%0.791SS**  trans-158.6116.4169.100000109.8
451C28.5Very low32.1Very low114 Ų114146.6 Ų146.677%0.7779%0.786SS**  trans-91-178.7177.9-640000112
452E31.6Very low32Very low174 Ų174142.5 Ų142.581%0.81378%0.778SS**  trans73.6123.9158.7-74.3171.5166.400115.3
453E28.5Very low32.1Very low170 Ų170143.2 Ų143.279%0.79478%0.777SS**  91.8144.191.6-171.3169.4-122.100110.6
454S35.3Very low32.6Very low91 Ų91144.3 Ų144.364%0.63678%0.78SS**  cis-150.3161.610.418.30000112.9
455L33.9Very low33.2Very low157 Ų157139.2 Ų139.282%0.82277%0.773SS**  trans37.8123.6133.8-54.2172.1000123
456D33.9Very low32.9Very low157 Ų157138 Ų13884%0.8478%0.775SS**  72.8145124.8-141.451.4000121.4
457P44.8Very low33Very low84 Ų84133.9 Ų133.955%0.54577%0.771SS.*  trans-103.9178.7-168.238.7-31.2000116.2
458F29.5Very low33.6Very low195 Ų195133.1 Ų133.186%0.85577%0.773SS**  trans74.198.6172.2-52.7-74.4000118.8
459K31.9Very low32.7Very low216 Ų216132.5 Ų132.594%0.93977%0.771SS**  -156.9157.2116.7-117167.2-174.9169.60113.3
460A27.2Very low32.5Very low95 Ų95134.1 Ų134.179%0.78577%0.77SS**  trans-92.4166.4-179.100000112.2
461S24.9Very low32.2Very low104 Ų104134.8 Ų134.873%0.72777%0.769SS**  179.5133.7119-172.10000115.2
462S27Very low32.5Very low92 Ų92135.4 Ų135.464%0.64377%0.771SS**  trans63.5128.6138.463.70000124.4
463K30.4Very low32.1Very low206 Ų206131.6 Ų131.690%0.89677%0.77SS**  trans88132.6135.6-78.2172.6178.5177.50120.9
464T38.7Very low31.9Very low131 Ų131128.4 Ų128.480%0.80477%0.766SS**  trans-83.7174.5165.757.80000110.6
465P40.4Very low31.6Very low110 Ų110132.4 Ų132.471%0.71477%0.772SS**  -150.4164.99140.3-23.4000117.5
466S26.5Very low31.1Very low107 Ų107131.9 Ų131.975%0.74877%0.766SS**  trans54.8116.3144.261.90000122.8
467S32.9Very low30.8Very low110 Ų110131.3 Ų131.377%0.76976%0.761SS**  trans-57.5173.5146-24.10000112.2
468P43.3Very low30.7Very low112 Ų112132.7 Ų132.773%0.72777%0.77SS**  -160.6166.368.643.1-21.5000120.6
469S25.3Very low30.2Very low92 Ų92127.1 Ų127.164%0.64376%0.76SS**  trans68.1122.8141.473.80000121.9
470K30.5Very low29.9Very low197 Ų197122.1 Ų122.186%0.85775%0.752SS**  161.1122.8106.5-88.1171.4-173.91740112.8
471S31.2Very low29.9Very low116 Ų116122.7 Ų122.781%0.81175%0.746SS**  trans-75.9161152.1-39.40000109.4
472P35.4Very low30.2Very low127 Ų127124.2 Ų124.283%0.82575%0.745SS**  -149.7176.988.639.6-21.5000116.7
473A23.4Very low30.1Very low95 Ų95127.4 Ų127.479%0.78575%0.75SS**  trans-49.3159.8178.600000118.3
474S24.8Very low30Very low102 Ų102121.6 Ų121.671%0.71374%0.74SS**  168144.591.9-1540000115.8
475F27.1Very low29.5Very low175 Ų175123.5 Ų123.577%0.76875%0.745SS**  trans47.2120.5146.1-91.6-114.8000124.9
476E24.8Very low28.9Very low147 Ų147121.5 Ų121.569%0.68775%0.745SS**  76.3103.9115.7-156.6161.5-115.500123.7
477I27.9Very low28.9Very low145 Ų145124.6 Ų124.674%0.74475%0.753SS**  41.7137.2125.2-50.7173.8000119.7
478P41.1Very low28.7Very low112 Ų112122.2 Ų122.273%0.72775%0.746SS**  cis-142.3-170.6-25.743.6-24000115.7
479A20.7Very low28.1Very low79 Ų79124 Ų12465%0.65375%0.748SS**  trans62111.8141.400000124.1
480S25.1Very low28.2Very low110 Ų110126.5 Ų126.577%0.76975%0.754SS**  trans61.6166.6139.763.90000118.5
481T26.1Very low28.2Very low107 Ų107126.5 Ų126.566%0.65676%0.755SS**  -174.8148.254-56.70000113.8
482I31Very low28.5Very low137 Ų137126.5 Ų126.570%0.70375%0.752SS**  trans51172.4155.311.3177000119.4
483E26.4Very low28Very low159 Ų159124.3 Ų124.374%0.74374%0.744SS**  cis-130.7150.227.9-81.5-64.1172.600116.5
484A28.1Very low28.3Very low84 Ų84128.9 Ų128.969%0.69475%0.746SS**  trans176.7128.7146.200000112.1
485D28Very low28.5Very low170 Ų170133.3 Ų133.391%0.90975%0.753SS**  trans-44.8162.6-178.4-60.3-79.1000119.2
486G28.1Very low28.6Very low69 Ų69133.9 Ų133.971%0.71176%0.755SS**  cis169.5160.1-2.900000114.2
487D25.2Very low29Very low171 Ų171135.8 Ų135.891%0.91476%0.761SS**  trans28.3138.4166.4-13731.2000122.4
488G28.5Very low29.4Very low60 Ų60135 Ų13562%0.61976%0.763SS**  cis-174.1153.8900000118.8
489L31.9Very low29.5Very low149 Ų149135.2 Ų135.278%0.7877%0.765SS**  trans56103.4140.8-146.174.3000121.3
490N26.1Very low30Very low145 Ų145139.5 Ų139.578%0.77578%0.775SS**  172.2153.2107.6-92.4-69.3000114.5
491K31.5Very low30.3Very low198 Ų198143.2 Ų143.286%0.86178%0.778SS**  trans-124.9-177.2168.9-55.5176.7-179172.90107.3
492P37.7Very low30.7Very low116 Ų116144.7 Ų144.775%0.75379%0.787SS**  cis-141-174.4-3.144.4-25.6000116
493A24.9Very low30.6Very low80 Ų80144.9 Ų144.966%0.66179%0.789SS**  trans43.4132.3139.800000125.2
494K28.8Very low30.9Very low192 Ų192141.4 Ų141.484%0.83578%0.779SS**  trans51.7110.6140.4-62.5175.8178.9174.80120.4
495K29.4Very low31.2Very low195 Ų195147 Ų14785%0.84879%0.788SS**  158.8155.2118.7-88160.4-175.6171.60116.1
496K29.5Very low31.7Very low187 Ų187149.8 Ų149.881%0.81379%0.786SS**  trans62.3111.8148.6-84.8-172.8173.4-1770122.3
497K33.3Very low32.1Very low186 Ų186151.6 Ų151.681%0.80978%0.783SS**  50.3119.8117.2-65.4-167.9174.7-169.80122
498T35.9Very low32.5Very low130 Ų130152.9 Ų152.980%0.79878%0.78SS**  trans-16.7147.1134.741.10000118.2
499P42.3Very low32.7Very low116 Ų116159 Ų15975%0.75379%0.79SS**  -120.1-177.882.538.9-32.2000112.5
500L31.4Very low32.6Very low168 Ų168156.8 Ų156.888%0.8879%0.787SS**  cis-147.7-173.930.3-162.759.6000112.4
501K32.1Very low33.4Very low189 Ų189154.8 Ų154.882%0.82278%0.782SS**  trans-123.8150.8-168.4-55.7170.5179.6172.70114.6
502T35Very low33.4Very low138 Ų138154.3 Ų154.385%0.84778%0.78SS**  trans-152.6135.8136.823.60000105.9
503D28.7Very low32.9Very low140 Ų140159.8 Ų159.875%0.74979%0.785SS**  cis78.312826.7-143.863.1000112.7
504T33.5Very low33.1Very low87 Ų87160.9 Ų160.953%0.53479%0.788SS.*  cis-143.1162.45.4-15.70000109.1
505F33.8Very low33.8Very low202 Ų202157.1 Ų157.189%0.88678%0.783SS**  -161.9173.374.1-99.3-83.2000112.6
506R38.8Very low33.8Very low228 Ų228155.2 Ų155.286%0.8678%0.782SS**  trans-162174.9-151.2-168.4179.4-177.3-177.53.5114.2
507V35.5Very low33.6Very low107 Ų107151.9 Ų151.965%0.64878%0.782SS**  trans103.8131.6156.4-1780000114.4
508K33Very low33.2Very low197 Ų197150.6 Ų150.686%0.85778%0.784SS**  cis-113.6-140.52.6-125.3133.9-159.1167.50109.8
509K32.7Very low34.4Very low189 Ų189149.4 Ų149.482%0.82278%0.779SS**  cis-147177.3-5.9-154.6-170.4175.3-177.10108.7
510S29.7Very low34.6Very low102 Ų102149.4 Ų149.471%0.71378%0.778SS**  trans-161.1-166.9179.4-47.40000109.1
511P44.3Very low34.4Very low103 Ų103145.9 Ų145.967%0.66977%0.768SS**  cis-149.6171.71.443.1-22.9000120.5
512K30.4Very low34.3Very low188 Ų188145.3 Ų145.382%0.81777%0.768SS**  trans70159.2151.2-71.8160-176.5178.70118.4
513R28.6Very low33.8Very low231 Ų231145.6 Ų145.687%0.87277%0.765SS**  cis-154.1173.40.3-136.3177.5-179.4173.5-3.4112.3
514S27.6Very low34.4Very low104 Ų104144.3 Ų144.373%0.72776%0.764SS**  trans-103-166.1172.654.60000111.7
515P45.3Very low34.4Very low112 Ų112146.1 Ų146.173%0.72778%0.775SS**  cis-151-177.89.447.8-26.8000120.4
516L28.2Very low34.7Very low156 Ų156142.6 Ų142.682%0.81777%0.772SS**  trans36.2134.8135-168.176.9000124.3
517S25.7Very low34.2Very low117 Ų117136.5 Ų136.582%0.81877%0.77SS**  171175.3129.4-73.30000115.2
518D24.2Very low33.8Very low158 Ų158136.1 Ų136.185%0.84578%0.779SS**  trans-127.2-162.4-159.6-135.5-2.1000113.7
519P60.8Low33.7Very low106 Ų106133.2 Ų133.269%0.68878%0.778SS**  trans-117.9-146.2-15235.7-9.3000112.5
520P46.4Very low33.9Very low115 Ų115129.2 Ų129.275%0.74777%0.771SS**  cis-141-147.4-3.246.3-24.4000115.8
521S29Very low33.7Very low94 Ų94133.2 Ų133.266%0.65778%0.779SS**  trans77.2150.4167.5-91.90000118.9
522Q28.4Very low32.8Very low177 Ų177132.2 Ų132.283%0.82778%0.779SS**  cis-162.5178.8-16.4-129.3165.3-19.400111.9
523D25.7Very low33.6Very low145 Ų145128.9 Ų128.978%0.77578%0.777SS**  trans-39.2175.4172.6-100.6-37.1000119.4
524P41.6Very low34.3Very low113 Ų113122.6 Ų122.673%0.73477%0.766SS**  cis-141.3179.613.142.4-23.3000118.9
525T31.7Very low34.3Very low124 Ų124124 Ų12476%0.76177%0.769SS**  trans-73.2157.6156.6-100000112.3
526P41.5Very low33.6Very low128 Ų128122.9 Ų122.983%0.83176%0.764SS**  -150.7-160.779.440.1-18.8000114.6
527A27.6Very low34Very low100 Ų100121.9 Ų121.983%0.82677%0.765SS**  trans-121.7162.6-169.100000115
528A27.1Very low34.5Very low100 Ų100121.4 Ų121.483%0.82676%0.757SS**  trans-167.2144.7150.700000112.7
529T30.6Very low35.1Very low136 Ų136119.2 Ų119.283%0.83475%0.749SS**  trans-89.8154.6160.7-31.70000109
530P37.4Very low34.2Very low105 Ų105122.5 Ų122.568%0.68276%0.755SS**  -151.9170.1110.539.1-22.4000116.5
531E25.7Very low34.1Very low186 Ų186120.4 Ų120.487%0.86975%0.747SS**  trans56.6134.9147.1-74.8178.9124.100124.3
532A24.9Very low34.4Very low82 Ų82122.3 Ų122.368%0.67876%0.755SS**  trans-109.3-173.2145.100000106.7
533P47.8Very low35.1Very low118 Ų118120.2 Ų120.277%0.76675%0.749SS**  cis-129.8-137.84.837.4-12.5000109
534P43.8Very low36.4Very low99 Ų99121.8 Ų121.864%0.64375%0.752SS**  cis-137.3179.4-15.132.5-8.9000116.4
535V27.7Very low36.7Very low132 Ų132123.7 Ų123.780%0.875%0.751SS**  trans36.1152.8146.8-61.10000123.2
536S28.7Very low37.4Very low89 Ų89125.5 Ų125.562%0.62275%0.748SS**  cis-170.8156.5-24.156.30000110.6
537T38.5Very low37.3Very low135 Ų135126.2 Ų126.283%0.82875%0.745SS**SBendtrans-153.292.213511.20000106.6
538V35.9Very low37.6Very low108 Ų108126 Ų12666%0.65574%0.743SS**  6284.6106.41780000110
539V35.8Very low37.8Very low111 Ų111127.3 Ų127.367%0.67374%0.74SS**  63.810855.4-173.70000112.6
540H42Very low37.8Very low176 Ų176126.4 Ų126.482%0.81574%0.735SS**  -152.1114.9116-81-62.4000105.7
541A43.7Very low37.5Very low71 Ų71126.6 Ų126.659%0.58774%0.738SS**  98.8117.380.600000110.3
542T35.8Very low37.8Very low134 Ų134125.4 Ų125.482%0.82273%0.733SS**  cis57.5136.85.766.10000115.6
543D43.8Very low37.8Very low133 Ų133129.3 Ų129.371%0.71174%0.735SS**  cis-163.4130-0.1158.348.9000107.5
544E53.1Low36.9Very low177 Ų177135.7 Ų135.783%0.82774%0.743SS**  trans-150.4139.4174.8-70.6-173.9167.600108
545E48Very low36.2Very low153 Ų153134.8 Ų134.872%0.71574%0.736SS**  cis-157.1136-13.6-121.1-160.715500104.5
546K46.6Very low36Very low162 Ų162133.9 Ų133.970%0.70473%0.734SS**  46.6117.658.9-62.3-68-175.5-179.80110.4
547L38Very low35.8Very low144 Ų144136.4 Ų136.475%0.75474%0.738SS**  -164.2176.660.1-79.5170.7000111.4
548A34.3Very low35.3Very low95 Ų95135.1 Ų135.179%0.78573%0.73SS**  trans71.4149.6151.500000118.8
549V32.6Very low35Very low127 Ų127135 Ų13577%0.7773%0.73SS**  cis-161.3166.6-29.891.50000108.6
550T31Very low34.8Very low118 Ų118136.7 Ų136.772%0.72474%0.735SS**  trans15.4136.616865.10000120.2
551S29.8Very low34.6Very low108 Ų108136.3 Ų136.376%0.75574%0.738SS**  cis-156.5163.235.758.50000109.4
552Q32Very low34Very low162 Ų162140.4 Ų140.476%0.75775%0.75SS**  cis73.578.833.4-160.2173.510.100115.9
553K25.6Very low34.1Very low164 Ų164138.6 Ų138.671%0.71375%0.748SS**  trans59.895.3131.5-172-162.7174.5-175.80117.7
554W27.8Very low33.6Very low251 Ų251137.3 Ų137.395%0.95174%0.742SS**  -119.2120.2128.2-68.170000106.2
555T28.7Very low32.8Very low80 Ų80136.8 Ų136.849%0.49174%0.737SS.*  cis90.486.148.1-61.30000111.7M557T555-M557 HydrophobicContact CG2-CB 3.86Å; T555-M557 HydrophobicContact CG2-CG 4.13Å
556C24.6Very low32Very low113 Ų113136.3 Ų136.376%0.76473%0.734SS**  trans-151.1109.9143.6-172.80000105.2
557M24.2Very low31.2Very low143 Ų143135.9 Ų135.970%0.70474%0.74SS**  cis67.244.19.4-71-75.799.300116T555T555-M557 HydrophobicContact CG2-CB 3.86Å; T555-M557 HydrophobicContact CG2-CG 4.13Å
558T27.5Very low30.9Very low108 Ų108137.4 Ų137.466%0.66374%0.741SS**  -117.497.9127.6-32.50000104.5
559V30.3Very low31.1Very low105 Ų105138.9 Ų138.964%0.63674%0.742SS**  28.3139.795.8-74.50000115.9
560D31Very low31.1Very low146 Ų146141 Ų14178%0.78174%0.744SS**  trans-56.6143.2177-54.5-98.6000112.5
561L38Very low31.3Very low169 Ų169141 Ų14189%0.88575%0.746SS**  trans-148.7110.4146-108.9147.9000108A563L561-A563 PolarHBondContact O-N 3.3Å
562D32.2Very low31.5Very low157 Ų157141.5 Ų141.584%0.8475%0.749SS**  trans-59.6128.5174.7-67-98.1000111.1
563A38.2Very low31.5Very low95 Ų95140 Ų14079%0.78575%0.746SS**  trans-142.181.2164.400000109.5L561 K565L561-A563 PolarHBondContact O-N 3.3Å; A563-K565 PolarHBondContact O-N 3.34Å
564D32.4Very low32.3Very low107 Ų107140.3 Ų140.357%0.57276%0.755SS**  trans-47.6126.6158.6158.467.1000109.7
565K36.3Very low33.1Very low166 Ų166130.9 Ų130.972%0.72273%0.728SS**  -158.4156.8115.6-74.5-119.3175.4-57.90112.1A563A563-K565 PolarHBondContact O-N 3.34Å
566Q31.2Very low33.6Very low143 Ų143134.8 Ų134.867%0.66875%0.745SS**  trans-56.7142.7-179.1-53.1-74.2-59.300113.1
567D30.3Very low34.1Very low153 Ų153138.8 Ų138.882%0.81875%0.75SS**  -153.6156.8107.5-145.8-16.7000111.5
568F31.1Very low34.8Very low176 Ų176137.5 Ų137.577%0.77275%0.75SS**  trans-127.4116.5179.1-114.1-82.3000109.1Q570F568-Q570 PolarHBondContact O-N 3.03Å
569P39.2Very low35.2Very low126 Ų126138.5 Ų138.582%0.81875%0.751SS**  trans-70.9103.4170.628.6-32.2000109.7
570Q32.3Very low35.4Very low171 Ų171142.9 Ų142.980%0.79977%0.765SS**  trans-63.3151161.1-107.1-167-114.700109.8F568 S572F568-Q570 PolarHBondContact O-N 3.03Å; Q570-S572 PolarHBondContact O-N 3.33Å
571P34.5Very low35.9Very low119 Ų119141.9 Ų141.977%0.77376%0.764SS**  trans-73.1112.3178.229.4-32.7000110.4D573P571-D573 PolarHBondContact O-N 3.2Å; P571-D573 VanDerWaalsContact O-N 3.08Å
572S34.7Very low35.6Very low118 Ų118143.6 Ų143.683%0.82577%0.765SS**  trans-7498.3174.9-63.90000111.9Q570Q570-S572 PolarHBondContact O-N 3.33Å
573D30.8Very low35.4Very low130 Ų130145 Ų14570%0.69576%0.763SS**  75.3139128.9-151.9-0.3000119.8P571 S575P571-D573 PolarHBondContact O-N 3.2Å; P571-D573 VanDerWaalsContact O-N 3.08Å; D573-S575 WeakPolarHBondContact OD1-CB 3.27Å; D573-S575 PolarHBondContact OD1-N 3.28Å; D573-S575 WeakPolarHBondContact OD2-CB 3.38Å
574L42.8Very low34.9Very low170 Ų170148.3 Ų148.389%0.8977%0.768SS**SBendtrans-10517.4178.7-76.5165000112.1N576L574-N576 VanDerWaalsContact C-N 3.31Å; L574-N576 PolarHBondContact O-N 2.9Å
575S45.1Very low34.7Very low54 Ų54147.6 Ų147.638%0.37877%0.771SS.*  trans-76.2-3.8-169-160.50000116.1D573 F577D573-S575 WeakPolarHBondContact OD1-CB 3.27Å; D573-S575 PolarHBondContact OD1-N 3.28Å; D573-S575 WeakPolarHBondContact OD2-CB 3.38Å; S575-F577 PolarHBondContact O-N 3.09Å
576N39.2Very low34.5Very low161 Ų161145.8 Ų145.886%0.86178%0.776SS**THydrogen-bonded Turntrans-90.129-173.2-75.614.1000115.6L574L574-N576 VanDerWaalsContact C-N 3.31Å; L574-N576 PolarHBondContact O-N 2.9Å
577F35.2Very low34.4Very low198 Ų198144.7 Ų144.787%0.86878%0.784SS**THydrogen-bonded Turntrans-143.518177.5-145-100.1000116.6S575S575-F577 PolarHBondContact O-N 3.09Å
578V38.4Very low34.7Very low115 Ų115146.8 Ų146.870%0.69779%0.79SS**SBendtrans-133.9-1.5-179.1-167.50000113.9
579N35.5Very low34.7Very low130 Ų130146 Ų14670%0.69579%0.788SS**  trans-111.117.8-168.5-72.3-41.9000116.2
580E34.8Very low34.4Very low197 Ų197147.1 Ų147.192%0.92179%0.787SS**  trans-106.431.9176.9-78.5-95.4111.500112.5
581T41.5Very low34.3Very low125 Ų125146 Ų14677%0.76779%0.786SS**  trans-132.959.2-179.3270000113.6
582K32.4Very low34Very low205 Ų205150 Ų15089%0.89179%0.787SS**  trans-137.1127.2151.9-75.7-160.3174.6-173.90112.2
583F28.3Very low33.7Very low186 Ų186154.9 Ų154.982%0.81679%0.787SS**  trans-52.3141.8164.1-101-116.1000111.2
584N27.6Very low33.6Very low165 Ų165154.7 Ų154.788%0.88279%0.787SS**  trans-157100.5143.7-110-2.7000108
585S26.9Very low33.1Very low91 Ų91150.8 Ų150.864%0.63677%0.773SS**  trans-80135.5175.5-43.80000110.6
586P32.1Very low32.4Very low128 Ų128159 Ų15983%0.83180%0.798SS**  trans-82.3121.9137.7-927.4000107.3
587S30.7Very low32.1Very low120 Ų120159.9 Ų159.984%0.83980%0.796SS**  trans-94.1111.6168.6-168.10000107.8
588E35Very low32.2Very low198 Ų198158.4 Ų158.493%0.92580%0.796SS**  trans-130.1145.6162.2-164.6157.3-143.400107.7
589E32.5Very low32.3Very low160 Ų160161.5 Ų161.575%0.74880%0.803SS**  trans-113150.4-152.5-161.8-178.1142.600111.1
590L32.5Very low32.3Very low149 Ų149165.4 Ų165.478%0.7881%0.809SS**  trans51.4105.5166.5-75.9156000117.2
591D29.7Very low32.9Very low148 Ų148164.4 Ų164.479%0.79181%0.807SS**  -166.1176.3112.8-125.2-26.5000114.6
592Y28.6Very low33Very low203 Ų203164.5 Ų164.580%0.79680%0.798SS**  trans70.773.3171.3-80.9-79.6000119.5
593R28.8Very low33.8Very low219 Ų219162.4 Ų162.483%0.82679%0.789SS**  trans-58.9164.7136.4-163.9-175-171.4-172.52.5111
594N27.9Very low34.5Very low127 Ų127161.7 Ų161.768%0.67979%0.793SS**  trans78.4107.6-179.4-55.1-3.9000113.2
595S31.6Very low34.8Very low87 Ų87157.6 Ų157.661%0.60879%0.79SS**  71.4117.859.379.20000114.2
596Y30.5Very low35Very low228 Ų228158.5 Ų158.589%0.89480%0.796SS**  -162.9174.1116.7-107.7-66.2000111.7
597E34.7Very low34.8Very low178 Ų178157 Ų15783%0.83279%0.789SS**  trans-109.1165.4-158.1-169.3162.9-158.700112.1
598I36.5Very low34.9Very low168 Ų168159.1 Ų159.186%0.86279%0.79SS**  trans-103108.5-174.7-56.4171.1000109.9
599E39.9Very low35.5Very low179 Ų179153.7 Ų153.784%0.83677%0.772SS**  trans-146159.6154.5-151.1166.7-159.700113.7
600Y36.1Very low35.4Very low212 Ų212153.8 Ų153.883%0.83177%0.773SS**  trans-64.7140.3-170.4-64.9-104.5000114.6
601M46.6Very low35.1Very low176 Ų176152.2 Ų152.287%0.86777%0.765SS**  -174.3178.2108.1-94.3-120.965.300112.7
602E44.1Very low35.1Very low127 Ų127151.7 Ų151.759%0.59376%0.762SS**  trans-119.4141-155.3177.5-174.2-176.200112.8
603K48.9Very low35.2Very low161 Ų161148.8 Ų148.870%0.776%0.76SS**  trans75.3116.6158.9-80.5163.1-176.8153.60122.1
604L44.1Very low35.4Very low171 Ų171143.9 Ų143.990%0.89576%0.755SS**  trans76.4123.5132-57.5171.3000121.5
605G32.3Very low36.2Very low79 Ų79142.5 Ų142.581%0.81475%0.753SS**  trans177.4160.9168.100000111.6
606S31.6Very low36.2Very low111 Ų111147.2 Ų147.278%0.77676%0.762SS**  trans-148.2146.2-173.7179.10000115.5
607S29.2Very low36.5Very low97 Ų97144.5 Ų144.568%0.67876%0.755SS**  trans63.9111.4152.345.90000121.8
608L31.9Very low36.4Very low164 Ų164144.1 Ų144.186%0.85975%0.753SS**  49.8142.995.7-171.572.5000118.5
609P48.3Very low36.1Very low84 Ų84140.2 Ų140.255%0.54575%0.746SS.*  cis-135.6-178.4-033.4-11.5000117.8
610Q29.6Very low35.9Very low162 Ų162139.7 Ų139.776%0.75775%0.748SS**  trans65.3156.8143.5-80.1168.1-92.900119.8
611D27.2Very low35.8Very low116 Ų116138.9 Ų138.962%0.6275%0.745SS**  cis-152.7170.90.2-129.7-20.3000114.6
612D28Very low35.7Very low137 Ų137136.4 Ų136.473%0.73373%0.734SS**  trans45112.6153-84.2-21.1000124.1
613D31.1Very low35Very low142 Ų142136.7 Ų136.776%0.75974%0.738SS**  78.2155.5121.2-135.5-8000123
614T32.5Very low34.2Very low116 Ų116136.4 Ų136.471%0.71274%0.736SS**  trans-98.5-177.3-166.463.30000110.3
615P46.5Very low33.4Very low98 Ų98135.4 Ų135.464%0.63673%0.732SS**  cis-154-173.219.445.9-24.1000119.8
616K31.3Very low33.9Very low185 Ų185138 Ų13880%0.80473%0.732SS**  trans75.6114.9146.8-81.9164.8-171.1166.90121.4
617K36.5Very low34.5Very low171 Ų171138.4 Ų138.474%0.74373%0.732SS**  57.9112.7120.6-66.3-163175.5-165.60118.6
618Q31.8Very low35.2Very low171 Ų171142.5 Ų142.580%0.79974%0.741SS**  82.1158.374.6-79.2178.2-30.400114.4
619A31.5Very low35.3Very low85 Ų85143.5 Ų143.570%0.70274%0.741SS**  trans77.6110.4-175.100000114.3
620L34.1Very low34.7Very low169 Ų169144.4 Ų144.489%0.88575%0.749SS**  70.3119.367.2-63.8162.9000110.9
621Y34.3Very low35.8Very low195 Ų195142.2 Ų142.277%0.76575%0.749SS**  -160.4168.273-168.7-112.2000114.6M623Y621-M623 HydrophobicContact CD1-CG 4.47Å; Y621-M623 HydrophobicContact CE1-CG 3.93Å; Y621-M623 HydrophobicContact CE1-SD 4.04Å
622L44Very low36.1Very low123 Ų123142.5 Ų142.564%0.64476%0.755SS**  trans-64.5160.5176.6-164.871.3000113.4F624L622-F624 HydrophobicContact CD2-CE2 4.49Å
623M31Very low36.3Very low134 Ų134144.8 Ų144.866%0.6676%0.758SS**  158.2108.1121.5-81.5-1657200116.4Y621Y621-M623 HydrophobicContact CD1-CG 4.47Å; Y621-M623 HydrophobicContact CE1-CG 3.93Å; Y621-M623 HydrophobicContact CE1-SD 4.04Å
624F30.9Very low36.1Very low154 Ų154143.3 Ų143.368%0.67576%0.759SS**  trans71.4148.6137.3-72.5-87.7000125.4L622L622-F624 HydrophobicContact CD2-CE2 4.49Å
625D28.3Very low37.1Very low151 Ų151143.3 Ų143.381%0.80776%0.761SS**  trans76.8138.8154-62.7-16.4000123.5
626T41.8Very low37.4Very low132 Ų132143.9 Ų143.981%0.8177%0.765SS**  trans-114.3164.2177.562.50000109.5
627P44.5Very low37.3Very low121 Ų121140.7 Ų140.779%0.78676%0.761SS**  -147.4-171.197.636.7-18.2000114.8
628Q43Very low37Very low183 Ų183142.9 Ų142.986%0.85576%0.764SS**  trans-20.8148.8173.7-64.5-178.9-29.200118
629E34Very low36.9Very low184 Ų184142.5 Ų142.586%0.8676%0.764SS**  cis-157.9-161.343.9-146.2-178.5139.200114.3
630S36.8Very low36.7Very low103 Ų103143.1 Ų143.172%0.7276%0.763SS**  trans-83.5-173-179-63.50000113.1
631P53.3Low36.5Very low117 Ų117142.8 Ų142.876%0.7676%0.763SS**  cis-139.2162.9946.4-26.8000116.8
632V33.2Very low36.3Very low122 Ų122138.3 Ų138.374%0.73976%0.76SS**  81.8120.776-169.80000120
633K32.7Very low36.1Very low185 Ų185138.4 Ų138.480%0.80477%0.768SS**  trans88.2120.7148-92.5174.9-178.7175.30126.7
634S25.3Very low36.5Very low111 Ų111137.9 Ų137.978%0.77677%0.773SS**  85.9156.3127.265.10000123.8
635P54.6Low37Very low115 Ų115135.8 Ų135.875%0.74777%0.774SS**  trans-120.3-158.8-163.448-35000113.5
636P53.2Low36.9Very low111 Ų111134.1 Ų134.172%0.72177%0.773SS**  cis-130.8-159.3-14.831.5-7.3000114.2
637V28.5Very low36.3Very low118 Ų118133.3 Ų133.372%0.71577%0.773SS**  trans106.7114.1155.2-177.30000119.7
638R29.9Very low35.4Very low217 Ų217131 Ų13182%0.81977%0.771SS**  trans44.1148.3147.8-65.6-163.1-74.6-177.3-4.4120.6
639M30.2Very low34.7Very low162 Ų162128.4 Ų128.480%0.79877%0.773SS**  cis-144.1176.540.5-71.9-75-132.800114.3
640S28.1Very low34.6Very low98 Ų98124.7 Ų124.769%0.68577%0.767SS**  trans-60170.1168.7-35.70000113.2
641D28.3Very low34.1Very low162 Ų162127.2 Ų127.287%0.86677%0.766SS**  cis-145.5172.136.8-82-53.6000114.7
642S31.6Very low33.2Very low101 Ų101128.8 Ų128.871%0.70676%0.763SS**  trans-98.6166.8178.270.50000112.2
643P38.8Very low33.1Very low125 Ų125129 Ų12981%0.81276%0.76SS**  -137.3144.171.335.6-19.1000116.1
644T38.6Very low33.2Very low124 Ų124125.5 Ų125.576%0.76175%0.754SS**  trans-76.4164.5164.5-8.10000110.7
645P42.9Very low33.5Very low110 Ų110129 Ų12971%0.71476%0.758SS**  -149.7158.271.340.1-21.2000118.1
646C25.3Very low32.4Very low116 Ų116127.6 Ų127.678%0.78476%0.756SS**  trans63154.5154.1-64.90000119.8
647S30.3Very low31.2Very low115 Ų115129 Ų12980%0.80476%0.757SS**  cis-169.2160.6-29.3-101.40000108.8
648G25.8Very low31Very low73 Ų73129.9 Ų129.975%0.75376%0.762SS**  trans94.1114.618000000111.4
649S27.9Very low30.8Very low127 Ų127126.1 Ų126.189%0.88876%0.758SS**  91.2116.251.3-177.50000111.8
650S30.4Very low30.8Very low106 Ų106122.8 Ų122.874%0.74176%0.757SS**  -179.3152.7126.7-167.10000111.7
651F27Very low30.6Very low157 Ų157124.9 Ų124.969%0.68977%0.765SS**  trans103.4119.4138.9-137.3-122000120.7
652E35.2Very low30.7Very low150 Ų150121.6 Ų121.670%0.70176%0.761SS**  trans20.2154.9132.9-70.1-175.3-158.900121.4
653D31Very low30.6Very low126 Ų126125.8 Ų125.867%0.67477%0.766SS**  cis-175.4-166.5-12.8178.833.7000107.1
654T34.3Very low30.1Very low111 Ų111125.9 Ų125.968%0.68176%0.759SS**  trans85.588.3160.566.30000117.6
655E31.1Very low29.5Very low186 Ų186128 Ų12887%0.86976%0.761SS**  39.7137.1117.2-71.4-153115.100123.2
656A31.1Very low28.6Very low85 Ų85131.3 Ų131.370%0.70277%0.766SS**  trans85.1106.2132.200000121.9
657L28.4Very low29.4Very low141 Ų141131.1 Ų131.174%0.73876%0.764SS**  77.6115.9116.8-164.770.6000119.7
658V24.6Very low29.2Very low135 Ų135131.9 Ų131.982%0.81876%0.763SS**  -166.7147.9113.7140.20000111.6
659N26.8Very low30Very low138 Ų138132.6 Ų132.674%0.73876%0.755SS**  trans-88.2153.6-172.9-57.1-76.7000114.2
660A29.3Very low30Very low93 Ų93138.2 Ų138.277%0.76976%0.756SS**  trans-165.682.2150.200000116.5
661T24.6Very low29.8Very low141 Ų141136.3 Ų136.387%0.86575%0.754SS**  trans31.1116.7137.558.50000123.9
662A29.4Very low29.7Very low93 Ų93138 Ų13877%0.76977%0.769SS**  trans-172.1131.8131.500000109.2
663K28.9Very low29.2Very low190 Ų190135.7 Ų135.783%0.82678%0.776SS**  64.2126.960.4-72.8-166.1172.1179.20113.3
664L29.3Very low28.8Very low127 Ų127135.2 Ų135.267%0.66578%0.782SS**  cis-162.1155.96.6-97.9157.8000112.4
665Q24.8Very low28.3Very low168 Ų168137 Ų13779%0.78579%0.788SS**  trans70.1138.6141.4-76.5166.5-18.600125.2
666H24.8Very low28Very low179 Ų179137 Ų13783%0.82979%0.788SS**  trans-68.3-169.8155.1-52.8-81.9000111.6
667P42Very low27.6Very low113 Ų113141.6 Ų141.673%0.73480%0.795SS**  cis-124.6172.54.714.914.7000114.1
668V25.4Very low28Very low130 Ų130139.4 Ų139.479%0.78879%0.789SS**  60.4139.260.8175.60000112.1
669P44.3Very low27.9Very low89 Ų89140 Ų14058%0.57879%0.787SS**  cis-139.4-174.413.141.5-21.8000118.6
670R27.9Very low27.8Very low244 Ų244139.5 Ų139.592%0.92178%0.783SS**  trans69147.7153.6-72.6162.1-163.4145.34.4119.5
671G25.1Very low27.4Very low67 Ų67143 Ų14369%0.69178%0.784SS**  cis158.6171.9-8.700000115.3
672L25.9Very low27.3Very low191 Ų191144 Ų144100%178%0.783SS**  trans72.7156.6-179.4-62.5171.5000116.7
673A23.6Very low27.7Very low103 Ų103144.6 Ų144.685%0.85178%0.779SS**  trans-147.4157.7-165.300000112.4
674S23.8Very low27.5Very low115 Ų115142.6 Ų142.680%0.80477%0.772SS**  trans-158.3119.6164.859.70000113.7
675N23.9Very low27.2Very low150 Ų150144.5 Ų144.580%0.80278%0.775SS**  trans-3.8145154.7-83.4-69000122.5
676Q24.5Very low27.3Very low186 Ų186141.5 Ų141.587%0.86977%0.773SS**  trans85.7131.6145.1-73.2176.8119.600122.3
677E23.1Very low27.3Very low181 Ų181139.1 Ų139.185%0.84678%0.776SS**  trans-61.7-179.9156.9-106.3-174.9105.100113.6
678P35.1Very low26.5Very low95 Ų95142.2 Ų142.262%0.61778%0.781SS**  cis-139.2179.93.235.8-14.7000117.6
679L23Very low26.6Very low148 Ų148144.4 Ų144.478%0.77578%0.78SS**  trans79.5135.8134.9-94.9164.5000124.8
680L24Very low25.6Very low127 Ų127146.9 Ų146.967%0.66578%0.784SS**  trans96.6108.8152.3-61.2175.5000123.3
681Q21.1Very low25.6Very low167 Ų167141.9 Ų141.978%0.7878%0.775SS**  65.7123.7126.3-67.6174.8-1700123.6
682L22.4Very low25.7Very low162 Ų162146.9 Ų146.985%0.84878%0.78SS**  36.8161.9117.7-105.666.3000121.4
683P39.3Very low25.7Very low105 Ų105142.2 Ų142.268%0.68277%0.769SS**  cis-144.4-172.33.229.9-3.5000117.9
684E23.4Very low25.9Very low147 Ų147146.1 Ų146.169%0.68777%0.772SS**  trans102.1136.4139.8-77.4-126.2122.800124
685K24.5Very low26.1Very low168 Ų168145 Ų14573%0.7377%0.769SS**  trans71.5146.1158.5-69.2-179.7-179.478.80119.7
686S26.2Very low26.2Very low105 Ų105146.2 Ų146.273%0.73478%0.775SS**  cis-176.2165.2-19.553.60000112.5
687S24.7Very low26.3Very low128 Ų128140.5 Ų140.590%0.89577%0.766SS**  trans97.4149.4156.9-153.80000118.4
688Q24.8Very low26.5Very low179 Ų179138.6 Ų138.684%0.83677%0.767SS**  trans-148.6124.8-155.3168.8-166.5-1100112.1
689K28.3Very low26.6Very low175 Ų175139.8 Ų139.876%0.76178%0.775SS**  trans179.9157.3157.8-110.9158.6171.9-92.70107.8
690E23.5Very low26.8Very low141 Ų141137.3 Ų137.366%0.65978%0.775SS**  cis-143.7-170.413.9-163.2124.5-140.100112.1
691L28.3Very low26.9Very low140 Ų140140.4 Ų140.473%0.73379%0.786SS**  trans-50.2167.2177.7-69.9152.5000114.2
692E26.3Very low27.4Very low171 Ų171136.6 Ų136.680%0.79978%0.783SS**  cis-155.2161.233.1-162.4163.4-140.400113.6
693A26.4Very low27.8Very low93 Ų93136.9 Ų136.977%0.76978%0.784SS**  trans-137141.5173.200000110.9
694M27.2Very low27.3Very low186 Ų186139.1 Ų139.192%0.91679%0.785SS**  trans-113130.8171.5-90.1-73.8-172.700109.4
695A27.3Very low27.7Very low90 Ų90138.7 Ų138.774%0.74479%0.786SS**  trans-140.4137.9-170.800000113.6
696L26.2Very low27.9Very low177 Ų177137.1 Ų137.193%0.92779%0.791SS**  trans-142.2122.2152.2-70.9171.4000103.4
697G27.1Very low28.2Very low66 Ų66136.2 Ų136.268%0.6879%0.79SS**  cis101.4134.828.100000108.1
698T27.1Very low29.1Very low140 Ų140136 Ų13686%0.85979%0.786SS**  cis-174.3-179.56.20.30000106.5
699P36.6Very low29.3Very low121 Ų121137.1 Ų137.179%0.78679%0.791SS**  cis-127.1-161.9-16.340.2-22.1000112.2
700A29Very low29.6Very low95 Ų95131.7 Ų131.779%0.78579%0.785SS**  trans-143.5156.7169.900000111.2
701E26.3Very low30.9Very low192 Ų192129.6 Ų129.690%0.89779%0.792SS**  trans-166.2128.3157.6-108.6169.917300107
702A31Very low31.1Very low87 Ų87133 Ų13372%0.71980%0.801SS**  cis93.411518.100000115.6
703I31Very low31.8Very low168 Ų168129.5 Ų129.586%0.86280%0.801SS**  trans168.5142164.8-95.4152.6000106.3
704E27.4Very low33Very low153 Ų153129 Ų12972%0.71579%0.791SS**  cis-162.5144.8-22.4-175.9171.3-169.900108.5
705I32.2Very low33.8Very low138 Ų138123.3 Ų123.371%0.70877%0.774SS**  trans23.6119.9159.4-54.8165.7000117.6
706T29.5Very low34.9Very low135 Ų135124.3 Ų124.383%0.82877%0.767SS**  -166.4146.287.1-50.40000111.9
707A31.3Very low36.3Very low86 Ų86118.8 Ų118.871%0.71175%0.747SS**  trans-75.4168.1174.200000112.8
708P43.3Very low37.6Very low124 Ų124120.1 Ų120.181%0.80574%0.738SS**  cis-140.8142.819.939.4-19.8000118
709E30.4Very low39Very low201 Ų201118.7 Ų118.794%0.93973%0.725SS**  trans-162.8172.6163.1-142172.6-143.300112.8
710G34.2Very low39.7Very low62 Ų62117.2 Ų117.264%0.63972%0.717SS**  trans85.4104.7142.100000119
711A50.5Low40.8Very low97 Ų97119.4 Ų119.480%0.80271%0.705SS**  trans-79161.1165.400000112.6
712F33.2Very low41.7Very low212 Ų212116 Ų11693%0.9369%0.693SS**  trans-136.1130.4161.1-77.8-77.1000112.1
713A39.8Very low42.6Very low97 Ų97115.3 Ų115.380%0.80269%0.686SS**  trans-138.4143.5165.200000108.2
714S52.3Low42.9Very low81 Ų81113.7 Ų113.757%0.56668%0.675SS**  trans-67.8149.9-164-173.50000114.6D716 A717S714-D716 PolarHBondContact O-N 3.46Å; S714-D716 PolarHBondContact OG-N 3.34Å; S714-A717 WeakPolarHBondContact O-CB 3.43Å; S714-A717 PolarHBondContact O-N 3.25Å; S714-A717 VanDerWaalsContact O-N 3.15Å
715A44.9Very low43.5Very low67 Ų67112 Ų11255%0.55468%0.677SS**THydrogen-bonded Turntrans-60.2-27.2173.500000113.5A717 L718 L719A715-A717 PolarHBondContact O-N 2.91Å; A715-L718 WeakPolarHBondContact O-CB 3.39Å; A715-L718 PolarHBondContact O-N 3.09Å; A715-L719 PolarHBondContact O-N 3.12Å
716D48.7Very low43.6Very low111 Ų111110.1 Ų110.159%0.59468%0.683SS**Hα-helixtrans-54.5-39.8173.2-95.2-19.9000112S714 L718 L719 S720S714-D716 PolarHBondContact O-N 3.46Å; S714-D716 PolarHBondContact OG-N 3.34Å; D716-L718 PolarHBondContact O-N 3.21Å; D716-L718 VanDerWaalsContact O-N 3.13Å; D716-L719 PolarHBondContact O-N 3.29Å; D716-L719 VanDerWaalsContact O-N 3.11Å; D716-S720 PolarHBondContact O-N 3.42Å; D716-S720 PolarHBondContact O-OG 2.9Å
717A57.5Low44.4Very low61 Ų61108.5 Ų108.550%0.50468%0.676SS.*Hα-helixtrans-69.4-8.9179.200000113.6S714 A715S714-A717 WeakPolarHBondContact O-CB 3.43Å; S714-A717 PolarHBondContact O-N 3.25Å; S714-A717 VanDerWaalsContact O-N 3.15Å; A715-A717 PolarHBondContact O-N 2.91Å
718L53.6Low44.6Very low94 Ų94109.7 Ų109.749%0.49267%0.67SS.*Hα-helixtrans-92.7-40.4169.3-55.3-176.3000111.2A715 D716 R721 L722A715-L718 WeakPolarHBondContact O-CB 3.39Å; A715-L718 PolarHBondContact O-N 3.09Å; D716-L718 PolarHBondContact O-N 3.21Å; D716-L718 VanDerWaalsContact O-N 3.13Å; L718-R721 PolarHBondContact O-N 3.38Å; L718-L722 PolarHBondContact O-N 2.82Å
719L56.3Low44.3Very low111 Ų111108.1 Ų108.158%0.58166%0.662SS**Hα-helixtrans-67.2-46.2179-77.3164.3000112.4A715 D716 R721 L722 A723A715-L719 PolarHBondContact O-N 3.12Å; D716-L719 PolarHBondContact O-N 3.29Å; D716-L719 VanDerWaalsContact O-N 3.11Å; L719-R721 PolarHBondContact O-N 3.13Å; L719-R721 VanDerWaalsContact O-N 3.1Å; L719-L722 PolarHBondContact O-N 3.33Å; L719-A723 PolarHBondContact O-N 2.82Å
720S50.7Low44.8Very low90 Ų90102.4 Ų102.463%0.62966%0.656SS**THydrogen-bonded Turntrans-59.6-23.2174-52.90000112.9D716D716-S720 PolarHBondContact O-N 3.42Å; D716-S720 PolarHBondContact O-OG 2.9Å
721R53.4Low45.1Very low140 Ų140103.8 Ų103.853%0.52866%0.662SS.*THydrogen-bonded Turntrans-87.3-9.1177.8-150.5-177.668.9-120.5-0.3113.7L718 L719 L728L718-R721 PolarHBondContact O-N 3.38Å; L719-R721 PolarHBondContact O-N 3.13Å; L719-R721 VanDerWaalsContact O-N 3.1Å; R721-L728 HydrophobicContact CG-CD1 4.4Å; R721-L728 WeakPolarHBondContact O-CD1 3.49Å
722L44.4Very low44.8Very low122 Ų122103.8 Ų103.864%0.63965%0.648SS**THydrogen-bonded Turntrans-100.1-26.1174.9-73.7165.8000112.6L718 L719 H724L718-L722 PolarHBondContact O-N 2.82Å; L719-L722 PolarHBondContact O-N 3.33Å; L722-H724 PolarHBondContact O-N 3.34Å; L722-H724 VanDerWaalsContact O-N 3.16Å
723A49.5Very low45.4Very low71 Ų7197.2 Ų97.259%0.58764%0.64SS**SBendtrans-68.3-9.4-176.600000115.5L719L719-A723 PolarHBondContact O-N 2.82Å
724H37.3Very low46.1Very low135 Ų13599.1 Ų99.163%0.62563%0.627SS**  trans-12880.4179.3-74.9-3.5000111.3L722 A726 S727L722-H724 PolarHBondContact O-N 3.34Å; L722-H724 VanDerWaalsContact O-N 3.16Å; H724-A726 PolarHBondContact O-N 3.16Å; H724-A726 VanDerWaalsContact O-N 3.12Å; H724-S727 PolarHBondContact O-N 2.89Å
725P39.6Very low46.5Very low116 Ų11698 Ų9875%0.75362%0.615SS**G310 helixtrans-62.5-22.1-175.724.1-34.1000114S727P725-S727 VanDerWaalsContact C-N 3.26Å; P725-S727 PolarHBondContact O-N 3.47Å
726A35.9Very low47.2Very low100 Ų100100.6 Ų100.683%0.82662%0.615SS**G310 helixtrans-66.8-21.6175.200000114.1H724H724-A726 PolarHBondContact O-N 3.16Å; H724-A726 VanDerWaalsContact O-N 3.12Å
727S45.2Very low47.6Very low100 Ų100100.5 Ų100.570%0.69962%0.621SS**G310 helixtrans-95.4-4.9-171.7-168.50000115H724 P725H724-S727 PolarHBondContact O-N 2.89Å; P725-S727 VanDerWaalsContact C-N 3.26Å; P725-S727 PolarHBondContact O-N 3.47Å
728L36.6Very low47.6Very low111 Ų111101.4 Ų101.458%0.58162%0.617SS**SBendtrans-1022.2-175.5-117.8166.6000114.3R721 G730R721-L728 HydrophobicContact CG-CD1 4.4Å; R721-L728 WeakPolarHBondContact O-CD1 3.49Å; L728-G730 PolarHBondContact O-N 3.48Å
729C37.3Very low48Very low92 Ų9299.1 Ų99.162%0.62261%0.605SS**  trans-8941.5170.2-159.70000112.5A731C729-A731 PolarHBondContact O-N 2.95Å
730G39.4Very low48.4Very low80 Ų8095.6 Ų95.683%0.82559%0.592SS**THydrogen-bonded Turntrans-72.244.4-174.900000115.6L728L728-G730 PolarHBondContact O-N 3.48Å
731A41.7Very low49.4Very low92 Ų9298.9 Ų98.976%0.7660%0.597SS**THydrogen-bonded Turntrans-160.8-11.9173.300000116C729C729-A731 PolarHBondContact O-N 2.95Å
732L42.6Very low50.5Low96 Ų9698.7 Ų98.750%0.50360%0.6SS.*  trans-131.834.9-174.9-75.4178.1000114.7Y734L732-Y734 PolarHBondContact O-N 2.75Å
733G45.7Very low52Low74 Ų7496.1 Ų96.176%0.76359%0.587SS**  trans-73.655.9161.600000111.9
734Y56.5Low53.4Low138 Ų13896.5 Ų96.554%0.54158%0.584SS.*  trans-123.96-163.8-129.7-116.7000117.6L732 K750L732-Y734 PolarHBondContact O-N 2.75Å; Y734-K750 HydrophobicContact CD1-CD 4.46Å; Y734-K750 HydrophobicContact CD1-CG 4.47Å; Y734-K750 WeakPolarHBondContact O-CD 3.31Å; Y734-K750 WeakPolarHBondContact O-CE 3.41Å; Y734-K750 PolarHBondContact O-NZ 3.27Å; Y734-K750 VanDerWaalsContact O-NZ 3.15Å
735L58.9Low55.5Low57 Ų5794.4 Ų94.430%0.29858%0.582SS.*SBendtrans-138.588.6158.9-88.8155000107.8F747 K750 L751 E754L735-F747 HydrophobicContact CB-CE2 4.42Å; L735-F747 HydrophobicContact CD2-CD2 3.69Å; L735-F747 HydrophobicContact CD2-CE2 3.5Å; L735-F747 VanDerWaalsContact CD2-CE2 3.5Å; L735-F747 HydrophobicContact CD2-CG 4.35Å; L735-F747 HydrophobicContact CD2-CZ 4.01Å; L735-K750 HydrophobicContact CD2-CB 4.16Å; L735-K750 HydrophobicContact CD2-CG 4.44Å; L735-L751 HydrophobicContact CD1-CB 4.47Å; L735-L751 HydrophobicContact CD1-CD1 3.68Å; L735-L751 HydrophobicContact CD2-CB 4.12Å; L735-L751 HydrophobicContact CD2-CD1 4.49Å; L735-E754 HydrophobicContact CD1-CB 4.32Å
736E60.1Low57.4Low122 Ų12291.8 Ų91.857%0.5756%0.564SS**  trans-75.1128.1179.4-177.4166.2-136.400109.9D738 L739E736-D738 VanDerWaalsContact C-N 3.29Å; E736-D738 HydrophobicContact CG-CB 4.25Å; E736-D738 PolarHBondContact O-N 3.44Å; E736-L739 VanDerWaalsContact O-CB 3.27Å; E736-L739 WeakPolarHBondContact O-CB 3.43Å; E736-L739 PolarHBondContact O-N 2.89Å
737P57.3Low59.8Low109 Ų10989.6 Ų89.671%0.70854%0.536SS*.Hα-helixtrans-60-35.9-176.6-2735.8000113.9L739 A740P737-L739 PolarHBondContact O-N 3.45Å; P737-A740 VanDerWaalsContact O-CB 3.3Å; P737-A740 WeakPolarHBondContact O-CB 3.35Å; P737-A740 PolarHBondContact O-N 2.95Å
738D57.3Low61.7Low79 Ų7987.2 Ų87.242%0.42252%0.522SS..Hα-helixtrans-58.1-33.9177.2-16254.8000111.1E736 A740 E741 K742E736-D738 VanDerWaalsContact C-N 3.29Å; E736-D738 HydrophobicContact CG-CB 4.25Å; E736-D738 PolarHBondContact O-N 3.44Å; D738-A740 PolarHBondContact O-N 3.47Å; D738-E741 PolarHBondContact O-N 2.96Å; D738-E741 VanDerWaalsContact O-N 3.07Å; D738-K742 VanDerWaalsContact O-CG 3.29Å; D738-K742 WeakPolarHBondContact O-CG 3.45Å; D738-K742 PolarHBondContact O-N 3.25Å; D738-K742 WeakPolarHBondContact OD1-CE 3.46Å; D738-K742 IonicContact OD1-NZ 2.66Å; D738-K742 WeakPolarHBondContact OD2-CE 3.48Å; D738-K742 WeakPolarHBondContact OD2-CG 3.38Å
739L63Low64Low47 Ų4788.7 Ų88.725%0.24653%0.526CS..Hα-helixtrans-63.7-26.9177.7-139.377.1000113.2E736 P737 E741 N743 V746 F747 K750E736-L739 VanDerWaalsContact O-CB 3.27Å; E736-L739 WeakPolarHBondContact O-CB 3.43Å; E736-L739 PolarHBondContact O-N 2.89Å; P737-L739 PolarHBondContact O-N 3.45Å; L739-E741 VanDerWaalsContact C-N 3.35Å; L739-N743 CarbonylContact O-C 3.56Å; L739-N743 WeakPolarHBondContact O-CA 3.39Å; L739-N743 PolarHBondContact O-N 3Å; L739-N743 VanDerWaalsContact O-O 3.11Å; L739-V746 HydrophobicContact CD2-CG1 4.08Å; L739-F747 HydrophobicContact CB-CD2 4.41Å; L739-K750 HydrophobicContact CD2-CD 4.46Å
740A64.7Low66.2Low37 Ų3786.3 Ų86.331%0.30651%0.505SS..Hα-helixtrans-69.8-32.8175.300000112.3P737 D738 P744 F747P737-A740 VanDerWaalsContact O-CB 3.3Å; P737-A740 WeakPolarHBondContact O-CB 3.35Å; P737-A740 PolarHBondContact O-N 2.95Å; D738-A740 PolarHBondContact O-N 3.47Å; A740-P744 WeakPolarHBondContact O-CG 3.39Å; A740-F747 HydrophobicContact CB-CB 4.4Å; A740-F747 HydrophobicContact CB-CD1 3.92Å; A740-F747 HydrophobicContact CB-CD2 3.66Å; A740-F747 HydrophobicContact CB-CE1 4.06Å; A740-F747 HydrophobicContact CB-CE2 3.79Å; A740-F747 HydrophobicContact CB-CG 3.73Å; A740-F747 HydrophobicContact CB-CZ 3.99Å
741E71.1Confident68.4Low158 Ų15886.7 Ų86.774%0.73849%0.488SS*.Hα-helixtrans-86.5-41.7178.9-166.4179142.500111.5D738 L739D738-E741 PolarHBondContact O-N 2.96Å; D738-E741 VanDerWaalsContact O-N 3.07Å; L739-E741 VanDerWaalsContact C-N 3.35Å
742K76.4Confident70.5Confident136 Ų13688.1 Ų88.159%0.59148%0.479SS*.Hα-helixtrans-77.5-31.4-179.8-51.6-63.4172.3-171.50113.6D738D738-K742 VanDerWaalsContact O-CG 3.29Å; D738-K742 WeakPolarHBondContact O-CG 3.45Å; D738-K742 PolarHBondContact O-N 3.25Å; D738-K742 WeakPolarHBondContact OD1-CE 3.46Å; D738-K742 IonicContact OD1-NZ 2.66Å; D738-K742 WeakPolarHBondContact OD2-CE 3.48Å; D738-K742 WeakPolarHBondContact OD2-CG 3.38Å
743N76.9Confident72.7Confident68 Ų6888.3 Ų88.336%0.36448%0.477SS..  trans-154.577.7-176.5-160.2-43.9000113.5L739 P745 V746 F747L739-N743 CarbonylContact O-C 3.56Å; L739-N743 WeakPolarHBondContact O-CA 3.39Å; L739-N743 PolarHBondContact O-N 3Å; L739-N743 VanDerWaalsContact O-O 3.11Å; N743-P745 WeakPolarHBondContact OD1-CD 3.46Å; N743-P745 WeakPolarHBondContact OD1-CG 3.41Å; N743-V746 HydrophobicContact CB-CB 4.3Å; N743-V746 PolarHBondContact O-N 3.31Å; N743-V746 WeakPolarHBondContact OD1-CB 3.49Å; N743-V746 VanDerWaalsContact OD1-CG2 3.28Å; N743-V746 WeakPolarHBondContact OD1-CG2 3.27Å; N743-V746 PolarHBondContact OD1-N 3.24Å; N743-F747 PolarHBondContact O-N 3.17Å
744P78.1Confident74.6Confident79 Ų7986.9 Ų86.951%0.51345%0.451SS..Hα-helixtrans-50-44.6-178.8-25.931.9000116.5A740 F747 A748A740-P744 WeakPolarHBondContact O-CG 3.39Å; P744-F747 PolarHBondContact O-N 3.03Å; P744-A748 WeakPolarHBondContact O-CB 3.43Å; P744-A748 PolarHBondContact O-N 2.95Å
745P80.9Confident76.1Confident91 Ų9185.6 Ų85.659%0.59145%0.453SS*.Hα-helixtrans-71.2-32.9-178.126.5-33.5000113.3N743 A748 Q749N743-P745 WeakPolarHBondContact OD1-CD 3.46Å; N743-P745 WeakPolarHBondContact OD1-CG 3.41Å; P745-A748 PolarHBondContact O-N 3.31Å; P745-Q749 WeakPolarHBondContact O-CB 3.47Å; P745-Q749 PolarHBondContact O-N 2.97Å
746V79.1Confident77.5Confident62 Ų6288.6 Ų88.638%0.37647%0.465SS..Hα-helixtrans-70.8-39.1174.1173.60000110.7L739 N743 Q749 K750L739-V746 HydrophobicContact CD2-CG1 4.08Å; N743-V746 HydrophobicContact CB-CB 4.3Å; N743-V746 PolarHBondContact O-N 3.31Å; N743-V746 WeakPolarHBondContact OD1-CB 3.49Å; N743-V746 VanDerWaalsContact OD1-CG2 3.28Å; N743-V746 WeakPolarHBondContact OD1-CG2 3.27Å; N743-V746 PolarHBondContact OD1-N 3.24Å; V746-Q749 PolarHBondContact O-N 3.02Å; V746-K750 WeakPolarHBondContact O-CB 3.39Å; V746-K750 PolarHBondContact O-N 3.29Å
747F87.7Confident78.8Confident53 Ų5387.2 Ų87.223%0.23246%0.458CS..Hα-helixtrans-60-46171.3178.2-92000111.7L735 L739 A740 N743 P744 Q749 K750 L751L735-F747 HydrophobicContact CB-CE2 4.42Å; L735-F747 HydrophobicContact CD2-CD2 3.69Å; L735-F747 HydrophobicContact CD2-CE2 3.5Å; L735-F747 VanDerWaalsContact CD2-CE2 3.5Å; L735-F747 HydrophobicContact CD2-CG 4.35Å; L735-F747 HydrophobicContact CD2-CZ 4.01Å; L739-F747 HydrophobicContact CB-CD2 4.41Å; A740-F747 HydrophobicContact CB-CB 4.4Å; A740-F747 HydrophobicContact CB-CD1 3.92Å; A740-F747 HydrophobicContact CB-CD2 3.66Å; A740-F747 HydrophobicContact CB-CE1 4.06Å; A740-F747 HydrophobicContact CB-CE2 3.79Å; A740-F747 HydrophobicContact CB-CG 3.73Å; A740-F747 HydrophobicContact CB-CZ 3.99Å; N743-F747 PolarHBondContact O-N 3.17Å; P744-F747 PolarHBondContact O-N 3.03Å; F747-Q749 PolarHBondContact O-N 3.33Å; F747-K750 PolarHBondContact O-N 3.38Å; F747-L751 HydrophobicContact CE1-CD2 4.29Å; F747-L751 WeakPolarHBondContact O-CB 3.21Å; F747-L751 PolarHBondContact O-N 2.91Å
748A83.6Confident80.2Confident51 Ų5183.5 Ų83.542%0.42144%0.436SS..Hα-helixtrans-62-42177.400000112.7P744 P745 L751 Q752P744-A748 WeakPolarHBondContact O-CB 3.43Å; P744-A748 PolarHBondContact O-N 2.95Å; P745-A748 PolarHBondContact O-N 3.31Å; A748-L751 PolarHBondContact O-N 3.41Å; A748-Q752 WeakPolarHBondContact O-CB 3.48Å; A748-Q752 PolarHBondContact O-N 3.37Å
749Q85.8Confident81.8Confident142 Ų14283.4 Ų83.466%0.66444%0.438SS*.Hα-helixtrans-62.8-41.9174.9-174.61776.800111.9P745 V746 F747 L751 Q752 E753P745-Q749 WeakPolarHBondContact O-CB 3.47Å; P745-Q749 PolarHBondContact O-N 2.97Å; V746-Q749 PolarHBondContact O-N 3.02Å; F747-Q749 PolarHBondContact O-N 3.33Å; Q749-L751 VanDerWaalsContact C-N 3.34Å; Q749-Q752 WeakPolarHBondContact O-CB 3.27Å; Q749-Q752 PolarHBondContact O-N 3.45Å; Q749-E753 PolarHBondContact O-N 2.81Å
750K82.9Confident83.1Confident42 Ų4286.1 Ų86.118%0.18345%0.451CS..Hα-helixtrans-69.2-33.1178.7-156.6172.9-167.6-166.10112.5Y734 L735 L739 V746 F747 E753 E754Y734-K750 HydrophobicContact CD1-CD 4.46Å; Y734-K750 HydrophobicContact CD1-CG 4.47Å; Y734-K750 WeakPolarHBondContact O-CD 3.31Å; Y734-K750 WeakPolarHBondContact O-CE 3.41Å; Y734-K750 PolarHBondContact O-NZ 3.27Å; Y734-K750 VanDerWaalsContact O-NZ 3.15Å; L735-K750 HydrophobicContact CD2-CB 4.16Å; L735-K750 HydrophobicContact CD2-CG 4.44Å; L739-K750 HydrophobicContact CD2-CD 4.46Å; V746-K750 WeakPolarHBondContact O-CB 3.39Å; V746-K750 PolarHBondContact O-N 3.29Å; F747-K750 PolarHBondContact O-N 3.38Å; K750-E753 PolarHBondContact O-N 2.87Å; K750-E754 PolarHBondContact O-N 3.47Å
751L85.4Confident84.3Confident88 Ų8889.7 Ų89.746%0.46146%0.456SS..Hα-helixtrans-68.5-39.4172.6-174.566.9000111.8L735 F747 A748 Q749 L755L735-L751 HydrophobicContact CD1-CB 4.47Å; L735-L751 HydrophobicContact CD1-CD1 3.68Å; L735-L751 HydrophobicContact CD2-CB 4.12Å; L735-L751 HydrophobicContact CD2-CD1 4.49Å; F747-L751 HydrophobicContact CE1-CD2 4.29Å; F747-L751 WeakPolarHBondContact O-CB 3.21Å; F747-L751 PolarHBondContact O-N 2.91Å; A748-L751 PolarHBondContact O-N 3.41Å; Q749-L751 VanDerWaalsContact C-N 3.34Å; L751-L755 VanDerWaalsContact O-CB 3.27Å; L751-L755 WeakPolarHBondContact O-CB 3.31Å; L751-L755 PolarHBondContact O-N 3.46Å
752Q87.6Confident85.2Confident121 Ų12186.3 Ų86.357%0.56544%0.442SS*.Hα-helixtrans-61-46.1172.9-168.881.420.200111.1A748 Q749 L755 E756A748-Q752 WeakPolarHBondContact O-CB 3.48Å; A748-Q752 PolarHBondContact O-N 3.37Å; Q749-Q752 WeakPolarHBondContact O-CB 3.27Å; Q749-Q752 PolarHBondContact O-N 3.45Å; Q752-L755 WeakPolarHBondContact O-CB 3.5Å; Q752-L755 PolarHBondContact O-N 3.31Å; Q752-E756 PolarHBondContact O-N 2.93Å
753E87.2Confident85.8Confident100 Ų10085.4 Ų85.447%0.46744%0.44SS..Hα-helixtrans-65-47.9-179.7-174.4173-15000112.4Q749 K750 L755 E756 F757Q749-E753 PolarHBondContact O-N 2.81Å; K750-E753 PolarHBondContact O-N 2.87Å; E753-L755 PolarHBondContact O-N 3.5Å; E753-E756 PolarHBondContact O-N 2.88Å; E753-F757 HydrophobicContact CG-CD2 4.02Å; E753-F757 HydrophobicContact CG-CE2 3.83Å; E753-F757 VanDerWaalsContact O-CD2 3.3Å; E753-F757 WeakPolarHBondContact O-CD2 3.16Å; E753-F757 PolarHBondContact O-N 2.87Å
754E85.8Confident86.4Confident45 Ų4585 Ų8521%0.2145%0.446CS..Hα-helixtrans-66.9-26.5176.4-175.161-166.700112.1L735 K750 F757 A758 R761L735-E754 HydrophobicContact CD1-CB 4.32Å; K750-E754 PolarHBondContact O-N 3.47Å; E754-F757 PolarHBondContact O-N 3.38Å; E754-A758 WeakPolarHBondContact O-CB 3.34Å; E754-A758 PolarHBondContact O-N 2.97Å; E754-R761 IonicContact OE1-CZ 3.16Å; E754-R761 VanDerWaalsContact OE1-CZ 3.26Å; E754-R761 IonicContact OE1-NH1 2.83Å; E754-R761 PolarHBondContact OE1-NH1 2.98Å; E754-R761 IonicContact OE1-NH2 2.97Å; E754-R761 PolarHBondContact OE1-NH2 2.99Å; E754-R761 IonicContact OE2-NH2 3.24Å; E754-R761 PolarHBondContact OE2-NH2 2.94Å
755L87.4Confident86.8Confident110 Ų11087 Ų8758%0.57645%0.452SS*.Hα-helixtrans-70-38.9171.9-169.267.9000112L751 Q752 E753 A758 V759L751-L755 VanDerWaalsContact O-CB 3.27Å; L751-L755 WeakPolarHBondContact O-CB 3.31Å; L751-L755 PolarHBondContact O-N 3.46Å; Q752-L755 WeakPolarHBondContact O-CB 3.5Å; Q752-L755 PolarHBondContact O-N 3.31Å; E753-L755 PolarHBondContact O-N 3.5Å; L755-A758 PolarHBondContact O-N 3.35Å; L755-V759 WeakPolarHBondContact O-CG2 3.47Å; L755-V759 PolarHBondContact O-N 2.97Å
756E89.3Confident87.2Confident121 Ų12188.4 Ų88.457%0.56545%0.449SS*.Hα-helixtrans-65.1-41.4171.1-71.6-170.3169.700111.6Q752 E753 A758 V759 M760Q752-E756 PolarHBondContact O-N 2.93Å; E753-E756 PolarHBondContact O-N 2.88Å; E756-A758 VanDerWaalsContact C-N 3.33Å; E756-A758 PolarHBondContact O-N 3.22Å; E756-V759 PolarHBondContact O-N 3.12Å; E756-M760 PolarHBondContact O-N 2.94Å
757F88.4Confident87.7Confident93 Ų9390 Ų9041%0.40846%0.455SS..Hα-helixtrans-62.4-37.6171.1-81.4-68.3000112.6E753 E754 M760 R761E753-F757 HydrophobicContact CG-CD2 4.02Å; E753-F757 HydrophobicContact CG-CE2 3.83Å; E753-F757 VanDerWaalsContact O-CD2 3.3Å; E753-F757 WeakPolarHBondContact O-CD2 3.16Å; E753-F757 PolarHBondContact O-N 2.87Å; E754-F757 PolarHBondContact O-N 3.38Å; F757-M760 HydrophobicContact CD1-CE 3.56Å; F757-M760 HydrophobicContact CE1-CE 3.74Å; F757-M760 HydrophobicContact CG-CE 4.16Å; F757-M760 HydrophobicContact CZ-CE 4.46Å; F757-M760 PolarHBondContact O-N 2.96Å; F757-R761 WeakPolarHBondContact O-CB 3.48Å; F757-R761 VanDerWaalsContact O-CG 3.23Å; F757-R761 WeakPolarHBondContact O-CG 3.4Å; F757-R761 PolarHBondContact O-N 3.46Å
758A86.8Confident87.7Confident31 Ų3190.1 Ų90.126%0.25647%0.465SS..Hα-helixtrans-64.4-41.9174.300000111.8E754 L755 E756 R761 I762E754-A758 WeakPolarHBondContact O-CB 3.34Å; E754-A758 PolarHBondContact O-N 2.97Å; L755-A758 PolarHBondContact O-N 3.35Å; E756-A758 VanDerWaalsContact C-N 3.33Å; E756-A758 PolarHBondContact O-N 3.22Å; A758-R761 PolarHBondContact O-N 3.33Å; A758-I762 WeakPolarHBondContact O-CB 3.28Å; A758-I762 WeakPolarHBondContact O-CD1 3.3Å; A758-I762 VanDerWaalsContact O-CG1 3.26Å; A758-I762 WeakPolarHBondContact O-CG1 3.48Å; A758-I762 PolarHBondContact O-N 3.25Å
759V89.8Confident87.8Confident77 Ų7796.4 Ų96.447%0.46748%0.478SS..Hα-helixtrans-60.4-48.7172.7170.70000110.6L755 E756 R761 I762 E763L755-V759 WeakPolarHBondContact O-CG2 3.47Å; L755-V759 PolarHBondContact O-N 2.97Å; E756-V759 PolarHBondContact O-N 3.12Å; V759-R761 PolarHBondContact O-N 2.88Å; V759-I762 WeakPolarHBondContact O-CB 3.38Å; V759-I762 PolarHBondContact O-N 3.33Å; V759-I762 VanDerWaalsContact O-N 3.12Å; V759-E763 WeakPolarHBondContact O-CG 3.48Å; V759-E763 PolarHBondContact O-N 2.85Å
760M89.9Confident87.9Confident103 Ų10395.8 Ų95.851%0.50748%0.475SS..Hα-helixtrans-60.8-40.2176.9-73.7-167.5-75.500112.9E756 F757 I762 E763 A764E756-M760 PolarHBondContact O-N 2.94Å; F757-M760 HydrophobicContact CD1-CE 3.56Å; F757-M760 HydrophobicContact CE1-CE 3.74Å; F757-M760 HydrophobicContact CG-CE 4.16Å; F757-M760 HydrophobicContact CZ-CE 4.46Å; F757-M760 PolarHBondContact O-N 2.96Å; M760-I762 VanDerWaalsContact C-N 3.35Å; M760-I762 PolarHBondContact O-N 3.06Å; M760-E763 PolarHBondContact O-N 2.95Å; M760-A764 WeakPolarHBondContact O-CB 3.41Å; M760-A764 PolarHBondContact O-N 3Å
761R89.5Confident88Confident112 Ų11298.9 Ų98.942%0.42349%0.492SS..Hα-helixtrans-62.3-41.2173.6-71.5170.8-163.1153.411.5111.3E754 F757 A758 V759 A764 L765E754-R761 IonicContact OE1-CZ 3.16Å; E754-R761 VanDerWaalsContact OE1-CZ 3.26Å; E754-R761 IonicContact OE1-NH1 2.83Å; E754-R761 PolarHBondContact OE1-NH1 2.98Å; E754-R761 IonicContact OE1-NH2 2.97Å; E754-R761 PolarHBondContact OE1-NH2 2.99Å; E754-R761 IonicContact OE2-NH2 3.24Å; E754-R761 PolarHBondContact OE2-NH2 2.94Å; F757-R761 WeakPolarHBondContact O-CB 3.48Å; F757-R761 VanDerWaalsContact O-CG 3.23Å; F757-R761 WeakPolarHBondContact O-CG 3.4Å; F757-R761 PolarHBondContact O-N 3.46Å; A758-R761 PolarHBondContact O-N 3.33Å; V759-R761 PolarHBondContact O-N 2.88Å; R761-A764 PolarHBondContact O-N 3.5Å; R761-L765 WeakPolarHBondContact O-CB 3.5Å; R761-L765 VanDerWaalsContact O-CG 3.3Å; R761-L765 WeakPolarHBondContact O-CG 3.23Å; R761-L765 PolarHBondContact O-N 2.8Å
762I90.1Very high87.7Confident87 Ų8797.3 Ų97.345%0.44649%0.492SS..Hα-helixtrans-65.8-38.8176-71.7164.7000111.4A758 V759 M760 L765 K766A758-I762 WeakPolarHBondContact O-CB 3.28Å; A758-I762 WeakPolarHBondContact O-CD1 3.3Å; A758-I762 VanDerWaalsContact O-CG1 3.26Å; A758-I762 WeakPolarHBondContact O-CG1 3.48Å; A758-I762 PolarHBondContact O-N 3.25Å; V759-I762 WeakPolarHBondContact O-CB 3.38Å; V759-I762 PolarHBondContact O-N 3.33Å; V759-I762 VanDerWaalsContact O-N 3.12Å; M760-I762 VanDerWaalsContact C-N 3.35Å; M760-I762 PolarHBondContact O-N 3.06Å; I762-L765 PolarHBondContact O-N 3.16Å; I762-K766 HydrophobicContact CG2-CD 4.29Å; I762-K766 VanDerWaalsContact O-CG 3.29Å; I762-K766 WeakPolarHBondContact O-CG 3.45Å; I762-K766 PolarHBondContact O-N 3.15Å
763E90.8Very high87.3Confident118 Ų11896.5 Ų96.555%0.55149%0.491SS*.Hα-helixtrans-70.3-40175.4-65.7-156.2147.700112.9V759 M760 L765 K766 L767V759-E763 WeakPolarHBondContact O-CG 3.48Å; V759-E763 PolarHBondContact O-N 2.85Å; M760-E763 PolarHBondContact O-N 2.95Å; E763-L765 VanDerWaalsContact C-N 3.31Å; E763-L765 PolarHBondContact O-N 3.37Å; E763-K766 WeakPolarHBondContact O-CB 3.3Å; E763-K766 PolarHBondContact O-N 3.38Å; E763-L767 WeakPolarHBondContact O-CB 3.47Å; E763-L767 PolarHBondContact O-N 2.95Å
764A88.6Confident86.8Confident58 Ų5894.6 Ų94.648%0.47949%0.492SS..Hα-helixtrans-59.5-41.2171.600000111.8M760 R761 L767 A768M760-A764 WeakPolarHBondContact O-CB 3.41Å; M760-A764 PolarHBondContact O-N 3Å; R761-A764 PolarHBondContact O-N 3.5Å; A764-L767 PolarHBondContact O-N 2.91Å; A764-A768 VanDerWaalsContact O-CB 3.32Å; A764-A768 WeakPolarHBondContact O-CB 3.47Å; A764-A768 PolarHBondContact O-N 3.16Å
765L86Confident85.9Confident123 Ų12395.5 Ų95.564%0.64450%0.504SS*.Hα-helixtrans-66.5-39.7174.4-74.1166.2000112.6R761 I762 E763 R769R761-L765 WeakPolarHBondContact O-CB 3.5Å; R761-L765 VanDerWaalsContact O-CG 3.3Å; R761-L765 WeakPolarHBondContact O-CG 3.23Å; R761-L765 PolarHBondContact O-N 2.8Å; I762-L765 PolarHBondContact O-N 3.16Å; E763-L765 VanDerWaalsContact C-N 3.31Å; E763-L765 PolarHBondContact O-N 3.37Å; L765-R769 WeakPolarHBondContact O-CB 3.26Å; L765-R769 PolarHBondContact O-N 2.64Å
766K89.3Confident84.8Confident119 Ų11998.6 Ų98.652%0.51751%0.508SS..Hα-helixtrans-61.3-44.6172.5-72.9165.4-175.2166.10111.1I762 E763 R769 Q770I762-K766 HydrophobicContact CG2-CD 4.29Å; I762-K766 VanDerWaalsContact O-CG 3.29Å; I762-K766 WeakPolarHBondContact O-CG 3.45Å; I762-K766 PolarHBondContact O-N 3.15Å; E763-K766 WeakPolarHBondContact O-CB 3.3Å; E763-K766 PolarHBondContact O-N 3.38Å; K766-R769 PolarHBondContact O-N 3.29Å; K766-Q770 WeakPolarHBondContact O-CG 3.47Å; K766-Q770 PolarHBondContact O-N 3.45Å
767L90.4Very high83.2Confident97 Ų9796.6 Ų96.651%0.50851%0.507SS..Hα-helixtrans-66.4-44.6178.7-176.762.5000111.6E763 A764 R769 Q770 I771E763-L767 WeakPolarHBondContact O-CB 3.47Å; E763-L767 PolarHBondContact O-N 2.95Å; A764-L767 PolarHBondContact O-N 2.91Å; L767-R769 VanDerWaalsContact C-N 3.29Å; L767-R769 PolarHBondContact O-N 3.05Å; L767-Q770 WeakPolarHBondContact O-CB 3.48Å; L767-Q770 PolarHBondContact O-N 3.03Å; L767-Q770 VanDerWaalsContact O-N 3.12Å; L767-I771 HydrophobicContact CD1-CD1 4.45Å; L767-I771 HydrophobicContact CG-CD1 4.06Å; L767-I771 WeakPolarHBondContact O-CG1 3.29Å; L767-I771 PolarHBondContact O-N 3.03Å
768A86.4Confident81.5Confident54 Ų54102.1 Ų102.145%0.44653%0.525SS..Hα-helixtrans-58.4-40.8173.900000111.8A764 I771 A772A764-A768 VanDerWaalsContact O-CB 3.32Å; A764-A768 WeakPolarHBondContact O-CB 3.47Å; A764-A768 PolarHBondContact O-N 3.16Å; A768-I771 PolarHBondContact O-N 3.4Å; A768-A772 WeakPolarHBondContact O-CB 3.39Å; A768-A772 PolarHBondContact O-N 2.96Å
769R87.2Confident79.7Confident184 Ų184106.5 Ų106.569%0.69454%0.54SS*.Hα-helixtrans-65-39.2174.1-169.4177.5-175.2-127.52.3112.4L765 K766 L767 A772 L773L765-R769 WeakPolarHBondContact O-CB 3.26Å; L765-R769 PolarHBondContact O-N 2.64Å; K766-R769 PolarHBondContact O-N 3.29Å; L767-R769 VanDerWaalsContact C-N 3.29Å; L767-R769 PolarHBondContact O-N 3.05Å; R769-A772 PolarHBondContact O-N 2.87Å; R769-L773 HydrophobicContact CG-CD1 4.39Å; R769-L773 VanDerWaalsContact O-CG 3.3Å; R769-L773 WeakPolarHBondContact O-CG 3.42Å; R769-L773 PolarHBondContact O-N 3.04Å
770Q87.8Confident77.6Confident129 Ų129108.1 Ų108.160%0.60355%0.547SS*.Hα-helixtrans-64.4-43.1173.3-72.31798.300111.8K766 L767 A772 L773 A774K766-Q770 WeakPolarHBondContact O-CG 3.47Å; K766-Q770 PolarHBondContact O-N 3.45Å; L767-Q770 WeakPolarHBondContact O-CB 3.48Å; L767-Q770 PolarHBondContact O-N 3.03Å; L767-Q770 VanDerWaalsContact O-N 3.12Å; Q770-A772 VanDerWaalsContact C-N 3.35Å; Q770-A772 PolarHBondContact O-N 3.36Å; Q770-L773 PolarHBondContact O-N 2.89Å; Q770-A774 WeakPolarHBondContact O-CB 3.3Å; Q770-A774 PolarHBondContact O-N 3.5Å
771I85.3Confident75.6Confident106 Ų106108.9 Ų108.954%0.54456%0.557SS.*Hα-helixtrans-62-41.9176.2-67.9165.9000111L767 A768 A774 S775L767-I771 HydrophobicContact CD1-CD1 4.45Å; L767-I771 HydrophobicContact CG-CD1 4.06Å; L767-I771 WeakPolarHBondContact O-CG1 3.29Å; L767-I771 PolarHBondContact O-N 3.03Å; A768-I771 PolarHBondContact O-N 3.4Å; I771-A774 PolarHBondContact O-N 3.05Å; I771-S775 WeakPolarHBondContact O-CB 3.32Å; I771-S775 PolarHBondContact O-N 3.42Å; I771-S775 PolarHBondContact O-OG 3.22Å
772A78.2Confident73.3Confident56 Ų56112.4 Ų112.446%0.46358%0.575SS.*Hα-helixtrans-65.8-34.8176.800000113.4A768 R769 Q770 S775 R776A768-A772 WeakPolarHBondContact O-CB 3.39Å; A768-A772 PolarHBondContact O-N 2.96Å; R769-A772 PolarHBondContact O-N 2.87Å; Q770-A772 VanDerWaalsContact C-N 3.35Å; Q770-A772 PolarHBondContact O-N 3.36Å; A772-S775 PolarHBondContact O-OG 3.28Å; A772-R776 PolarHBondContact O-N 3.48Å
773L79.8Confident71.4Confident104 Ų104118.5 Ų118.555%0.54559%0.593SS.*Hα-helixtrans-72.7-39.5173.8-69168.6000111.6R769 Q770 R776 S777R769-L773 HydrophobicContact CG-CD1 4.39Å; R769-L773 VanDerWaalsContact O-CG 3.3Å; R769-L773 WeakPolarHBondContact O-CG 3.42Å; R769-L773 PolarHBondContact O-N 3.04Å; Q770-L773 PolarHBondContact O-N 2.89Å; L773-R776 PolarHBondContact O-N 3.15Å; L773-S777 PolarHBondContact O-N 3.27Å; L773-S777 VanDerWaalsContact O-N 3.09Å
774A75.3Confident68.9Low59 Ų59122 Ų12249%0.48861%0.609SS.*Hα-helixtrans-68-33.8175.900000113.1Q770 I771 R778Q770-A774 WeakPolarHBondContact O-CB 3.3Å; Q770-A774 PolarHBondContact O-N 3.5Å; I771-A774 PolarHBondContact O-N 3.05Å; A774-R778 PolarHBondContact O-N 2.66Å
775S68.7Low66.8Low64 Ų64123 Ų12345%0.44862%0.617SS.*Hα-helixtrans-72-37.6175.667.20000112.1I771 A772 R778 Q779I771-S775 WeakPolarHBondContact O-CB 3.32Å; I771-S775 PolarHBondContact O-N 3.42Å; I771-S775 PolarHBondContact O-OG 3.22Å; A772-S775 PolarHBondContact O-OG 3.28Å; S775-R778 PolarHBondContact O-N 2.94Å; S775-Q779 PolarHBondContact O-N 3.04Å
776R62.9Low64.3Low176 Ų176122.8 Ų122.866%0.66462%0.621SS**Hα-helixtrans-60.1-49.9171.8-169.7171.7-177.4169.42111.4A772 L773 R778 Q779 D780A772-R776 PolarHBondContact O-N 3.48Å; L773-R776 PolarHBondContact O-N 3.15Å; R776-R778 PolarHBondContact O-N 2.98Å; R776-R778 VanDerWaalsContact O-N 3.09Å; R776-Q779 PolarHBondContact O-N 3.46Å; R776-D780 PolarHBondContact O-N 3.47Å
777S55.6Low61.8Low78 Ų78125.2 Ų125.255%0.54563%0.634SS.*Hα-helixtrans-55.9-27.7175.1174.90000114L773 T781L773-S777 PolarHBondContact O-N 3.27Å; L773-S777 VanDerWaalsContact O-N 3.09Å; S777-T781 PolarHBondContact O-OG1 3.44Å
778R53.3Low59.3Low209 Ų209125.8 Ų125.879%0.78964%0.643SS**Hα-helixtrans-81.6-16.4174.9-88.1-174.7172.4-111.52.8114.9A774 S775 R776A774-R778 PolarHBondContact O-N 2.66Å; S775-R778 PolarHBondContact O-N 2.94Å; R776-R778 PolarHBondContact O-N 2.98Å; R776-R778 VanDerWaalsContact O-N 3.09Å
779Q48.4Very low57.3Low124 Ų124128.9 Ų128.958%0.57966%0.659SS**Hα-helixtrans-87.5-39.3177.1-72.8-169.6-14.700112.1S775 R776 T781 K782S775-Q779 PolarHBondContact O-N 3.04Å; R776-Q779 PolarHBondContact O-N 3.46Å; Q779-T781 VanDerWaalsContact C-N 3.25Å; Q779-T781 PolarHBondContact O-N 3.23Å; Q779-K782 PolarHBondContact O-N 2.85Å; Q779-K782 VanDerWaalsContact O-N 3.12Å
780D45.3Very low55Low111 Ų111128 Ų12859%0.59467%0.668SS**Hα-helixtrans-63.4-31.5-177.6-60.9-38.6000112R776 K782R776-D780 PolarHBondContact O-N 3.47Å; D780-K782 VanDerWaalsContact C-N 3.26Å; D780-K782 PolarHBondContact O-N 3.02Å
781T48.1Very low52.6Low118 Ų118127.6 Ų127.672%0.72467%0.674SS**THydrogen-bonded Turntrans-78.310.1175.851.10000115.6S777 Q779S777-T781 PolarHBondContact O-OG1 3.44Å; Q779-T781 VanDerWaalsContact C-N 3.25Å; Q779-T781 PolarHBondContact O-N 3.23Å
782K42Very low50.6Low186 Ų186128 Ų12881%0.80969%0.686SS**THydrogen-bonded Turntrans-137.316.9-176.6-139.8-173.5-178.8-173.30116.5Q779 D780Q779-K782 PolarHBondContact O-N 2.85Å; Q779-K782 VanDerWaalsContact O-N 3.12Å; D780-K782 VanDerWaalsContact C-N 3.26Å; D780-K782 PolarHBondContact O-N 3.02Å
783R49.2Very low49Very low215 Ų215132.4 Ų132.481%0.81170%0.7SS**SBendtrans-118.1-6.1168.2-73.6-163.2-179.6117-5.2115.1A785R783-A785 PolarHBondContact O-N 2.89Å
784E38.7Very low47.2Very low192 Ų192131.3 Ų131.390%0.89770%0.702SS**  trans-96.969.2178.9-164.6164.2-156.200111.9
785A46Very low45.7Very low79 Ų79138.7 Ų138.765%0.65372%0.723SS**  trans-155.9126.116800000110.3R783R783-A785 PolarHBondContact O-N 2.89Å
786T33.3Very low44.5Very low118 Ų118141.6 Ų141.672%0.72474%0.738SS**  trans64.2131.4-174.811.40000113.5
787H36.1Very low43.6Very low171 Ų171138.5 Ų138.579%0.79274%0.739SS**  cis-136.1163.125.8-76.5-87.8000113.7
788P38.5Very low43.1Very low108 Ų108142.7 Ų142.770%0.70175%0.754SS**  trans-74.6166178.631.8-37.5000114.2
789P43.8Very low42.7Very low119 Ų119143.7 Ų143.777%0.77376%0.76SS**  trans-71.6170.5-176.430.3-38000115V791P789-V791 PolarHBondContact O-N 2.95Å
790D38.5Very low42.5Very low166 Ų166143.7 Ų143.789%0.88877%0.774SS**  trans-44.8128.7-176.4-75.2-73.4000115.7
791V37.4Very low42.2Very low121 Ų121149.8 Ų149.873%0.73379%0.788SS**  trans-104.3112.6160.81790000108.2P789 I793P789-V791 PolarHBondContact O-N 2.95Å; V791-I793 HydrophobicContact CG1-CG1 4.11Å; V791-I793 PolarHBondContact O-N 2.87Å
792S44.1Very low41.6Very low113 Ų113152.3 Ų152.379%0.7980%0.796SS**  trans-72.984.6176.639.70000111.5S794S792-S794 PolarHBondContact O-N 3.22Å
793I44.6Very low41.1Very low149 Ų149146.6 Ų146.676%0.76479%0.789SS**  trans-71.996.1179.3-54.6176.9000110.5V791 K795V791-I793 HydrophobicContact CG1-CG1 4.11Å; V791-I793 PolarHBondContact O-N 2.87Å; I793-K795 PolarHBondContact O-N 3.07Å
794S40.7Very low40.7Very low82 Ų82141.8 Ų141.857%0.57379%0.786SS**  trans-57.4121176.7-59.70000113S792 T796S792-S794 PolarHBondContact O-N 3.22Å; S794-T796 PolarHBondContact O-N 3.01Å
795K43.9Very low40.4Very low214 Ų214139.2 Ų139.293%0.9378%0.784SS**THydrogen-bonded Turntrans-7545.1175.8-75.2-172.6172.5-179.80113.7I793I793-K795 PolarHBondContact O-N 3.07Å
796T43.8Very low39.8Very low124 Ų124144 Ų14476%0.76179%0.792SS**THydrogen-bonded Turntrans-131.24.1-172.944.90000115.1S794S794-T796 PolarHBondContact O-N 3.01Å
797T43.3Very low40.2Very low112 Ų112143.8 Ų143.869%0.68779%0.791SS**SBendtrans-114.3-3.9-167.1-42.90000115.7
798L46Very low40.1Very low165 Ų165144.7 Ų144.786%0.86480%0.795SS**SBendtrans-115.624.3-170.7-70.1-179.9000116.8
799Y45.4Very low39.9Very low230 Ų230148.5 Ų148.590%0.90280%0.801SS**SBendtrans-14364.9163.4-100.4-76.2000112.3
800S43Very low40.8Very low125 Ų125148.1 Ų148.187%0.87480%0.798SS**  trans-151.662.3169.4-86.10000112
801R38.9Very low41.3Very low238 Ų238146 Ų14690%0.89879%0.794SS**  trans-141.562167.7-176160.8-79.2-164.8-3.8111.6
802I36.4Very low41.4Very low172 Ų172143.8 Ų143.888%0.88280%0.795SS**  trans-13790159.2-49.2178.4000108.6
803G32.5Very low41.4Very low66 Ų66146.9 Ų146.968%0.6880%0.802SS**  trans-117.4156.7144.500000106.5
804P40.5Very low41.5Very low114 Ų114148.1 Ų148.174%0.7481%0.809SS**  -146-161.354.542.1-23.4000114.5
805T32.3Very low41.7Very low138 Ų138151.6 Ų151.685%0.84781%0.814SS**  trans74.5127157.939.80000119.1
806E33.8Very low42Very low179 Ų179148.7 Ų148.784%0.83680%0.804SS**  trans-100.8174.3179.6-169.7-173.3-170.100109.4
807V40.5Very low42.4Very low114 Ų114149 Ų14969%0.69180%0.796SS**  trans84.3127.6161.6-169.40000118.8
808E35Very low43.4Very low189 Ų189148.3 Ų148.388%0.88379%0.794SS**  trans75164.4157.1-83.5-173.7156.800124.5
809K33Very low44.2Very low188 Ų188145.8 Ų145.882%0.81778%0.782SS**  trans-173.4148.9-159.6162.5-167.5174.8-174.80106.3
810P62.4Low45.6Very low111 Ų111138.9 Ų138.972%0.72176%0.76SS**  cis-117.8-144.3-14.743-25.5000108.1
811P49.4Very low47.2Very low123 Ų123136.6 Ų136.680%0.79974%0.738SS**  cis-123.2168.3-18.138.7-21.9000114.7
812G40.6Very low49.3Very low73 Ų73128.1 Ų128.175%0.75372%0.715SS**  trans-90.1-179.1-17100000116.7
813L44.2Very low51.5Low178 Ų178122.7 Ų122.793%0.93270%0.696SS**  trans-134161167.1-86.2176.2000110.4
814L46.9Very low54Low175 Ų175122.9 Ų122.992%0.91668%0.681SS**  trans-74.1122.5-172.8-70.4160.5000112.5
815F43.9Very low56.2Low156 Ų156124.2 Ų124.268%0.68468%0.677SS**  trans-98.4160.5154.1-165.3-102.6000109.1Q817 L820F815-Q817 PolarHBondContact O-N 3.22Å; F815-L820 HydrophobicContact CD1-CB 4.49Å
816Q51.1Low58.8Low153 Ų153122 Ų12272%0.71566%0.663SS**  trans-76.284.6-169.4-167.6161.8-0.100112.2P818 D819Q816-P818 VanDerWaalsContact C-CD 3.41Å; Q816-P818 VanDerWaalsContact O-N 3.16Å; Q816-D819 PolarHBondContact O-N 3.07Å; Q816-D819 VanDerWaalsContact O-N 3.16Å
817Q52.3Low61.3Low129 Ų129115.7 Ų115.760%0.60364%0.642SS**Hα-helixtrans-48-43.1-167.6-163.8-171.9-27.400116.1F815 D819 L820 D821F815-Q817 PolarHBondContact O-N 3.22Å; Q817-D819 VanDerWaalsContact C-N 3.28Å; Q817-D819 PolarHBondContact O-N 3.31Å; Q817-L820 PolarHBondContact O-N 3.39Å; Q817-D821 WeakPolarHBondContact CG-OD2 3.16Å; Q817-D821 PolarHBondContact NE2-OD2 2.89Å; Q817-D821 WeakPolarHBondContact O-CB 3.36Å; Q817-D821 PolarHBondContact O-N 3.47Å
818P64.4Low63.7Low98 Ų98118.1 Ų118.164%0.63664%0.639SS**Hα-helixtrans-61.9-31.8-177.3-24.335.4000114.6Q816 S822Q816-P818 VanDerWaalsContact C-CD 3.41Å; Q816-P818 VanDerWaalsContact O-N 3.16Å; P818-S822 VanDerWaalsContact O-CB 3.27Å; P818-S822 WeakPolarHBondContact O-CB 3.49Å; P818-S822 PolarHBondContact O-N 3.2Å
819D62.4Low66.3Low113 Ų113112 Ų11260%0.60462%0.62SS**Hα-helixtrans-77.8-38.8-179.4-164.746.5000110.8Q816 Q817 S822 A823Q816-D819 PolarHBondContact O-N 3.07Å; Q816-D819 VanDerWaalsContact O-N 3.16Å; Q817-D819 VanDerWaalsContact C-N 3.28Å; Q817-D819 PolarHBondContact O-N 3.31Å; D819-S822 PolarHBondContact O-N 2.83Å; D819-A823 WeakPolarHBondContact O-CB 3.36Å; D819-A823 PolarHBondContact O-N 2.94Å
820L73.9Confident69.1Low84 Ų84108.7 Ų108.744%0.4461%0.608SS.*Hα-helixtrans-65.2-44.1172.4-178.262.8000112.1F815 Q817 S822 A823 L824F815-L820 HydrophobicContact CD1-CB 4.49Å; Q817-L820 PolarHBondContact O-N 3.39Å; L820-S822 VanDerWaalsContact C-N 3.33Å; L820-A823 PolarHBondContact O-N 3.17Å; L820-L824 HydrophobicContact CD1-CD1 4.46Å; L820-L824 HydrophobicContact CG-CD1 4.18Å; L820-L824 WeakPolarHBondContact O-CB 3.39Å; L820-L824 VanDerWaalsContact O-CG 3.27Å; L820-L824 WeakPolarHBondContact O-CG 3.27Å; L820-L824 PolarHBondContact O-N 3.22Å
821D77.7Confident70.5Confident78 Ų78107.1 Ų107.142%0.41760%0.596SS.*Hα-helixtrans-66.6-35.4176.8-77.6-26.4000111.2Q817 Q825Q817-D821 WeakPolarHBondContact CG-OD2 3.16Å; Q817-D821 PolarHBondContact NE2-OD2 2.89Å; Q817-D821 WeakPolarHBondContact O-CB 3.36Å; Q817-D821 PolarHBondContact O-N 3.47Å; D821-Q825 WeakPolarHBondContact O-CB 3.46Å; D821-Q825 PolarHBondContact O-N 3.46Å
822S81.2Confident72.6Confident60 Ų60105.8 Ų105.842%0.4258%0.581SS.*Hα-helixtrans-66-48.4172.6-170.80000112.1P818 D819 L820 L824 Q825 V826P818-S822 VanDerWaalsContact O-CB 3.27Å; P818-S822 WeakPolarHBondContact O-CB 3.49Å; P818-S822 PolarHBondContact O-N 3.2Å; D819-S822 PolarHBondContact O-N 2.83Å; L820-S822 VanDerWaalsContact C-N 3.33Å; S822-L824 VanDerWaalsContact C-N 3.31Å; S822-L824 PolarHBondContact O-N 3.12Å; S822-Q825 WeakPolarHBondContact O-CB 3.38Å; S822-Q825 PolarHBondContact O-N 2.86Å; S822-V826 WeakPolarHBondContact O-CG2 2.93Å; S822-V826 PolarHBondContact O-N 3.24Å
823A83.1Confident75.1Confident58 Ų58104.1 Ų104.148%0.47956%0.56SS.*Hα-helixtrans-60.8-39175.900000112.1D819 L820 V826 A827D819-A823 WeakPolarHBondContact O-CB 3.36Å; D819-A823 PolarHBondContact O-N 2.94Å; L820-A823 PolarHBondContact O-N 3.17Å; A823-V826 PolarHBondContact O-N 3.1Å; A823-A827 VanDerWaalsContact O-CB 3.31Å; A823-A827 WeakPolarHBondContact O-CB 3.17Å; A823-A827 PolarHBondContact O-N 3.11Å
824L84.8Confident77.5Confident69 Ų69100.6 Ų100.636%0.36154%0.537SS..Hα-helixtrans-65.5-36.4172.3-76.8168.8000112.4L820 S822 R828L820-L824 HydrophobicContact CD1-CD1 4.46Å; L820-L824 HydrophobicContact CG-CD1 4.18Å; L820-L824 WeakPolarHBondContact O-CB 3.39Å; L820-L824 VanDerWaalsContact O-CG 3.27Å; L820-L824 WeakPolarHBondContact O-CG 3.27Å; L820-L824 PolarHBondContact O-N 3.22Å; S822-L824 VanDerWaalsContact C-N 3.31Å; S822-L824 PolarHBondContact O-N 3.12Å; L824-R828 WeakPolarHBondContact O-CB 3.38Å; L824-R828 WeakPolarHBondContact O-CD 3.39Å; L824-R828 WeakPolarHBondContact O-CG 3.38Å; L824-R828 PolarHBondContact O-N 3.22Å
825Q86.9Confident79.7Confident142 Ų14297.8 Ų97.866%0.66452%0.519SS*.Hα-helixtrans-69.3-40.7175.9-169.8172.813.500111.7D821 S822 R828 A829D821-Q825 WeakPolarHBondContact O-CB 3.46Å; D821-Q825 PolarHBondContact O-N 3.46Å; S822-Q825 WeakPolarHBondContact O-CB 3.38Å; S822-Q825 PolarHBondContact O-N 2.86Å; Q825-R828 PolarHBondContact O-N 3.13Å; Q825-A829 WeakPolarHBondContact O-CB 3.35Å; Q825-A829 PolarHBondContact O-N 2.96Å
826V87.4Confident82Confident91 Ų9197.5 Ų97.555%0.55251%0.514SS*.Hα-helixtrans-63.6-48.9173.2173.20000110.7S822 A823 R828 A829 E830S822-V826 WeakPolarHBondContact O-CG2 2.93Å; S822-V826 PolarHBondContact O-N 3.24Å; A823-V826 PolarHBondContact O-N 3.1Å; V826-R828 VanDerWaalsContact C-N 3.31Å; V826-R828 PolarHBondContact O-N 2.95Å; V826-A829 CarbonylContact O-C 3.59Å; V826-A829 WeakPolarHBondContact O-CB 3.27Å; V826-A829 PolarHBondContact O-N 3.2Å; V826-A829 VanDerWaalsContact O-N 3.08Å; V826-E830 PolarHBondContact O-N 2.98Å
827A86.6Confident84.1Confident47 Ų4793.8 Ų93.839%0.38850%0.496SS..Hα-helixtrans-61.2-37.4177.800000112.5A823 E830 V831A823-A827 VanDerWaalsContact O-CB 3.31Å; A823-A827 WeakPolarHBondContact O-CB 3.17Å; A823-A827 PolarHBondContact O-N 3.11Å; A827-E830 PolarHBondContact O-N 3.27Å; A827-V831 WeakPolarHBondContact O-CB 3.31Å; A827-V831 VanDerWaalsContact O-CG2 3.31Å; A827-V831 WeakPolarHBondContact O-CG2 3.46Å; A827-V831 PolarHBondContact O-N 3.07Å
828R90.6Very high86.2Confident166 Ų16691.4 Ų91.463%0.62649%0.491SS*.Hα-helixtrans-66.2-40.6172.4-74.5167-176.3170.34112.2L824 Q825 V826 E830 V831 I832L824-R828 WeakPolarHBondContact O-CB 3.38Å; L824-R828 WeakPolarHBondContact O-CD 3.39Å; L824-R828 WeakPolarHBondContact O-CG 3.38Å; L824-R828 PolarHBondContact O-N 3.22Å; Q825-R828 PolarHBondContact O-N 3.13Å; V826-R828 VanDerWaalsContact C-N 3.31Å; V826-R828 PolarHBondContact O-N 2.95Å; R828-E830 VanDerWaalsContact C-N 3.35Å; R828-V831 PolarHBondContact O-N 3.35Å; R828-I832 WeakPolarHBondContact O-CB 3.33Å; R828-I832 WeakPolarHBondContact O-CD1 3.47Å; R828-I832 VanDerWaalsContact O-CG1 3.27Å; R828-I832 WeakPolarHBondContact O-CG1 3.39Å; R828-I832 PolarHBondContact O-N 3.33Å
829A89.1Confident87.6Confident60 Ų6088.3 Ų88.350%0.49647%0.471SS..Hα-helixtrans-66.7-36.5175.700000112.1Q825 V826 I832 A833Q825-A829 WeakPolarHBondContact O-CB 3.35Å; Q825-A829 PolarHBondContact O-N 2.96Å; V826-A829 CarbonylContact O-C 3.59Å; V826-A829 WeakPolarHBondContact O-CB 3.27Å; V826-A829 PolarHBondContact O-N 3.2Å; V826-A829 VanDerWaalsContact O-N 3.08Å; A829-I832 PolarHBondContact O-N 3.09Å; A829-A833 WeakPolarHBondContact O-CB 3.47Å; A829-A833 PolarHBondContact O-N 2.92Å
830E91.4Very high89.2Confident119 Ų11987.4 Ų87.456%0.55646%0.464SS*.Hα-helixtrans-67.6-43.7173.5-173.6176.5-175.700111.6V826 A827 R828 I832 A833 K834V826-E830 PolarHBondContact O-N 2.98Å; A827-E830 PolarHBondContact O-N 3.27Å; R828-E830 VanDerWaalsContact C-N 3.35Å; E830-I832 PolarHBondContact O-N 2.67Å; E830-A833 WeakPolarHBondContact O-CB 3.29Å; E830-A833 PolarHBondContact O-N 3.32Å; E830-A833 VanDerWaalsContact O-N 3.16Å; E830-K834 WeakPolarHBondContact O-CB 3.44Å; E830-K834 WeakPolarHBondContact O-CG 3.44Å; E830-K834 PolarHBondContact O-N 3.49Å
831V92.2Very high90.3Very high78 Ų7890.8 Ų90.847%0.47347%0.471SS..Hα-helixtrans-57.7-47.9171.9166.90000110.6A827 R828 A833 K834 E835A827-V831 WeakPolarHBondContact O-CB 3.31Å; A827-V831 VanDerWaalsContact O-CG2 3.31Å; A827-V831 WeakPolarHBondContact O-CG2 3.46Å; A827-V831 PolarHBondContact O-N 3.07Å; R828-V831 PolarHBondContact O-N 3.35Å; V831-A833 VanDerWaalsContact C-N 3.29Å; V831-A833 PolarHBondContact O-N 3.5Å; V831-K834 CarbonylContact O-C 3.59Å; V831-K834 PolarHBondContact O-N 2.82Å; V831-K834 VanDerWaalsContact O-N 3.13Å; V831-E835 HydrophobicContact CG1-CG 4.19Å; V831-E835 WeakPolarHBondContact O-CB 3.34Å; V831-E835 VanDerWaalsContact O-CG 3.31Å; V831-E835 WeakPolarHBondContact O-CG 3.47Å; V831-E835 PolarHBondContact O-N 3.12Å
832I94.6Very high91.2Very high95 Ų9592.9 Ų92.949%0.48747%0.472SS..Hα-helixtrans-64.3-32.4177.1-68.6164.1000112R828 A829 E830 R836R828-I832 WeakPolarHBondContact O-CB 3.33Å; R828-I832 WeakPolarHBondContact O-CD1 3.47Å; R828-I832 VanDerWaalsContact O-CG1 3.27Å; R828-I832 WeakPolarHBondContact O-CG1 3.39Å; R828-I832 PolarHBondContact O-N 3.33Å; A829-I832 PolarHBondContact O-N 3.09Å; E830-I832 PolarHBondContact O-N 2.67Å; I832-R836 WeakPolarHBondContact O-CG 3.33Å; I832-R836 PolarHBondContact O-N 3.24Å; I832-R836 VanDerWaalsContact O-N 3.16Å
833A92.6Very high91.9Very high38 Ų3894.5 Ų94.531%0.31448%0.476SS..Hα-helixtrans-68.5-42.7172.600000111.7A829 E830 V831 R836 E837A829-A833 WeakPolarHBondContact O-CB 3.47Å; A829-A833 PolarHBondContact O-N 2.92Å; E830-A833 WeakPolarHBondContact O-CB 3.29Å; E830-A833 PolarHBondContact O-N 3.32Å; E830-A833 VanDerWaalsContact O-N 3.16Å; V831-A833 VanDerWaalsContact C-N 3.29Å; V831-A833 PolarHBondContact O-N 3.5Å; A833-R836 PolarHBondContact O-N 3.16Å; A833-E837 WeakPolarHBondContact O-CB 3.49Å; A833-E837 PolarHBondContact O-N 3.27Å
834K94.1Very high92.6Very high103 Ų10396.5 Ų96.545%0.44847%0.474SS..Hα-helixtrans-70.6-34.3177-70.5-72.4164.9-163.10112.8E830 V831 E837 V838E830-K834 WeakPolarHBondContact O-CB 3.44Å; E830-K834 WeakPolarHBondContact O-CG 3.44Å; E830-K834 PolarHBondContact O-N 3.49Å; V831-K834 CarbonylContact O-C 3.59Å; V831-K834 PolarHBondContact O-N 2.82Å; V831-K834 VanDerWaalsContact O-N 3.13Å; K834-E837 WeakPolarHBondContact CD-OE2 3.24Å; K834-E837 WeakPolarHBondContact CE-OE2 3.47Å; K834-E837 IonicContact NZ-OE1 3.75Å; K834-E837 IonicContact NZ-OE2 2.67Å; K834-E837 PolarHBondContact NZ-OE2 3.38Å; K834-E837 PolarHBondContact O-N 3.16Å; K834-V838 VanDerWaalsContact O-CB 3.27Å; K834-V838 WeakPolarHBondContact O-CB 3.03Å; K834-V838 WeakPolarHBondContact O-CG2 3.48Å; K834-V838 PolarHBondContact O-N 2.89Å
835E92.4Very high93.1Very high116 Ų116100.6 Ų100.654%0.54249%0.486SS..Hα-helixtrans-66-37.1172.7-75.4175158.200111.7V831 S839V831-E835 HydrophobicContact CG1-CG 4.19Å; V831-E835 WeakPolarHBondContact O-CB 3.34Å; V831-E835 VanDerWaalsContact O-CG 3.31Å; V831-E835 WeakPolarHBondContact O-CG 3.47Å; V831-E835 PolarHBondContact O-N 3.12Å; E835-S839 VanDerWaalsContact O-CB 3.31Å; E835-S839 WeakPolarHBondContact O-CB 3.45Å; E835-S839 PolarHBondContact O-N 2.85Å; E835-S839 PolarHBondContact O-OG 3.06Å
836R94.1Very high93.6Very high150 Ų15097.8 Ų97.857%0.56647%0.473SS*.Hα-helixtrans-67.4-50.1170.1-73.8-174.5-61.7128.8-2.4111.8I832 A833 V838 S839 E840I832-R836 WeakPolarHBondContact O-CG 3.33Å; I832-R836 PolarHBondContact O-N 3.24Å; I832-R836 VanDerWaalsContact O-N 3.16Å; A833-R836 PolarHBondContact O-N 3.16Å; R836-V838 PolarHBondContact O-N 3.24Å; R836-S839 CarbonylContact O-C 3.55Å; R836-S839 WeakPolarHBondContact O-CA 3.31Å; R836-S839 WeakPolarHBondContact O-CB 3.27Å; R836-S839 PolarHBondContact O-N 3.4Å; R836-E840 WeakPolarHBondContact O-CG 2.9Å; R836-E840 PolarHBondContact O-N 3.41Å
837E95.1Very high94Very high75 Ų7597.9 Ų97.935%0.3547%0.467SS..Hα-helixtrans-56.5-47.1177.9-172.2-171.7159.700111.8A833 K834 S839 E840 W841A833-E837 WeakPolarHBondContact O-CB 3.49Å; A833-E837 PolarHBondContact O-N 3.27Å; K834-E837 WeakPolarHBondContact CD-OE2 3.24Å; K834-E837 WeakPolarHBondContact CE-OE2 3.47Å; K834-E837 IonicContact NZ-OE1 3.75Å; K834-E837 IonicContact NZ-OE2 2.67Å; K834-E837 PolarHBondContact NZ-OE2 3.38Å; K834-E837 PolarHBondContact O-N 3.16Å; E837-S839 VanDerWaalsContact C-N 3.26Å; E837-S839 PolarHBondContact O-N 2.97Å; E837-E840 PolarHBondContact O-N 2.98Å; E837-W841 PolarHBondContact O-N 2.65Å
838V94.7Very high94.5Very high80 Ų8098.4 Ų98.449%0.48547%0.468SS..Hα-helixtrans-65.3-29.7175.4171.40000111.6K834 R836 R842K834-V838 VanDerWaalsContact O-CB 3.27Å; K834-V838 WeakPolarHBondContact O-CB 3.03Å; K834-V838 WeakPolarHBondContact O-CG2 3.48Å; K834-V838 PolarHBondContact O-N 2.89Å; R836-V838 PolarHBondContact O-N 3.24Å; V838-R842 WeakPolarHBondContact O-CG 3.3Å; V838-R842 PolarHBondContact O-N 3.02Å
839S94.9Very high94.8Very high33 Ų3396 Ų9623%0.23146%0.459CS..Hα-helixtrans-70.5-47.9173-59.20000111.9E835 R836 E837 W841 R842 D843E835-S839 VanDerWaalsContact O-CB 3.31Å; E835-S839 WeakPolarHBondContact O-CB 3.45Å; E835-S839 PolarHBondContact O-N 2.85Å; E835-S839 PolarHBondContact O-OG 3.06Å; R836-S839 CarbonylContact O-C 3.55Å; R836-S839 WeakPolarHBondContact O-CA 3.31Å; R836-S839 WeakPolarHBondContact O-CB 3.27Å; R836-S839 PolarHBondContact O-N 3.4Å; E837-S839 VanDerWaalsContact C-N 3.26Å; E837-S839 PolarHBondContact O-N 2.97Å; S839-W841 PolarHBondContact O-N 3.16Å; S839-R842 VanDerWaalsContact CB-NH2 3.27Å; S839-R842 WeakPolarHBondContact O-CB 3.49Å; S839-R842 PolarHBondContact O-N 3.2Å; S839-R842 PolarHBondContact OG-NH1 2.96Å; S839-R842 VanDerWaalsContact OG-NH1 3.16Å; S839-R842 PolarHBondContact OG-NH2 2.85Å; S839-D843 PolarHBondContact O-N 2.83Å
840E96.1Very high95.2Very high94 Ų9499.7 Ų99.744%0.43946%0.46SS..Hα-helixtrans-56.9-37.1173.1-66.4172.2-14600112.1R836 E837 K844R836-E840 WeakPolarHBondContact O-CG 2.9Å; R836-E840 PolarHBondContact O-N 3.41Å; E837-E840 PolarHBondContact O-N 2.98Å; E840-K844 WeakPolarHBondContact O-CB 3.37Å; E840-K844 VanDerWaalsContact O-CD 3.27Å; E840-K844 WeakPolarHBondContact O-CD 3.41Å; E840-K844 WeakPolarHBondContact O-CG 3.39Å; E840-K844 PolarHBondContact O-N 3.21Å; E840-K844 IonicContact OE2-NZ 3.58Å
841W97.1Very high95.4Very high155 Ų15599.5 Ų99.559%0.58746%0.459SS*.Hα-helixtrans-70.1-35.2174.1-75.1122.4000113.6E837 S839 K844 Y845E837-W841 PolarHBondContact O-N 2.65Å; S839-W841 PolarHBondContact O-N 3.16Å; W841-K844 HydrophobicContact CE3-CD 4.04Å; W841-K844 HydrophobicContact CZ3-CD 4.23Å; W841-Y845 VanDerWaalsContact O-CB 3.31Å; W841-Y845 WeakPolarHBondContact O-CB 3.48Å; W841-Y845 PolarHBondContact O-N 3.14Å
842R95.9Very high95.7Very high121 Ų12199 Ų9946%0.45746%0.456SS..Hα-helixtrans-64.5-46.7170.6-72-170.2-42.1-84.1-5.7110.6V838 S839 K844 Y845 E846V838-R842 WeakPolarHBondContact O-CG 3.3Å; V838-R842 PolarHBondContact O-N 3.02Å; S839-R842 VanDerWaalsContact CB-NH2 3.27Å; S839-R842 WeakPolarHBondContact O-CB 3.49Å; S839-R842 PolarHBondContact O-N 3.2Å; S839-R842 PolarHBondContact OG-NH1 2.96Å; S839-R842 VanDerWaalsContact OG-NH1 3.16Å; S839-R842 PolarHBondContact OG-NH2 2.85Å; R842-K844 PolarHBondContact O-N 2.94Å; R842-Y845 CarbonylContact O-C 3.54Å; R842-Y845 WeakPolarHBondContact O-CB 3.22Å; R842-Y845 PolarHBondContact O-N 2.69Å; R842-Y845 VanDerWaalsContact O-N 3.12Å; R842-E846 WeakPolarHBondContact O-CG 3.49Å; R842-E846 PolarHBondContact O-N 2.66Å
843D96.4Very high95.8Very high94 Ų9497.8 Ų97.850%0.50345%0.453SS..Hα-helixtrans-63.8-44.4-176.4-59.8-18.5000110.8S839 Y845 E846 E847S839-D843 PolarHBondContact O-N 2.83Å; D843-Y845 PolarHBondContact O-N 3.44Å; D843-E846 PolarHBondContact O-N 3.41Å; D843-E847 WeakPolarHBondContact O-CB 3.31Å; D843-E847 PolarHBondContact O-N 3Å
844K96.8Very high96Very high101 Ų101101.6 Ų101.644%0.43947%0.465SS..Hα-helixtrans-59.5-40.3171.4-71.5162-169.8158.10112.8E840 W841 R842 E847 S848E840-K844 WeakPolarHBondContact O-CB 3.37Å; E840-K844 VanDerWaalsContact O-CD 3.27Å; E840-K844 WeakPolarHBondContact O-CD 3.41Å; E840-K844 WeakPolarHBondContact O-CG 3.39Å; E840-K844 PolarHBondContact O-N 3.21Å; E840-K844 IonicContact OE2-NZ 3.58Å; W841-K844 HydrophobicContact CE3-CD 4.04Å; W841-K844 HydrophobicContact CZ3-CD 4.23Å; R842-K844 PolarHBondContact O-N 2.94Å; K844-E847 PolarHBondContact O-N 3.26Å; K844-S848 PolarHBondContact O-N 2.98Å
845Y96.1Very high96.2Very high155 Ų155102.3 Ų102.361%0.60847%0.471SS*.Hα-helixtrans-67.4-39.7175.7172-101.2000112.1W841 R842 D843 E847 R849W841-Y845 VanDerWaalsContact O-CB 3.31Å; W841-Y845 WeakPolarHBondContact O-CB 3.48Å; W841-Y845 PolarHBondContact O-N 3.14Å; R842-Y845 CarbonylContact O-C 3.54Å; R842-Y845 WeakPolarHBondContact O-CB 3.22Å; R842-Y845 PolarHBondContact O-N 2.69Å; R842-Y845 VanDerWaalsContact O-N 3.12Å; D843-Y845 PolarHBondContact O-N 3.44Å; Y845-E847 VanDerWaalsContact C-N 3.34Å; Y845-R849 VanDerWaalsContact O-CB 3.24Å; Y845-R849 WeakPolarHBondContact O-CB 3.38Å; Y845-R849 PolarHBondContact O-N 3.47Å
846E96.8Very high96.5Very high82 Ų82105.1 Ų105.138%0.38348%0.476SS..Hα-helixtrans-74.9-22.9176.8-65.3-156.3-139.900113.2R842 D843 R849 R850R842-E846 WeakPolarHBondContact O-CG 3.49Å; R842-E846 PolarHBondContact O-N 2.66Å; D843-E846 PolarHBondContact O-N 3.41Å; E846-R849 IonicContact OE2-CZ 3.28Å; E846-R849 VanDerWaalsContact OE2-CZ 3.3Å; E846-R849 IonicContact OE2-NH1 3.26Å; E846-R849 PolarHBondContact OE2-NH1 3.4Å; E846-R849 IonicContact OE2-NH2 3.09Å; E846-R849 PolarHBondContact OE2-NH2 3.45Å; E846-R850 WeakPolarHBondContact O-CG 3.47Å; E846-R850 PolarHBondContact O-N 2.88Å; E846-R850 PolarHBondContact O-NE 3.4Å
847E96.3Very high96.7Very high93 Ų93104.2 Ų104.244%0.43548%0.477SS..Hα-helixtrans-68.7-55.9166.2-165.1126.8-96.400111.5D843 K844 Y845 R849 R850 E851D843-E847 WeakPolarHBondContact O-CB 3.31Å; D843-E847 PolarHBondContact O-N 3Å; K844-E847 PolarHBondContact O-N 3.26Å; Y845-E847 VanDerWaalsContact C-N 3.34Å; E847-R849 PolarHBondContact O-N 2.92Å; E847-R850 WeakPolarHBondContact O-CA 3.38Å; E847-R850 VanDerWaalsContact O-CB 3.31Å; E847-R850 WeakPolarHBondContact O-CB 3.4Å; E847-R850 PolarHBondContact O-N 3.19Å; E847-R850 IonicContact OE1-CZ 3.17Å; E847-R850 VanDerWaalsContact OE1-CZ 3.28Å; E847-R850 IonicContact OE1-NH1 3.51Å; E847-R850 PolarHBondContact OE1-NH1 3.03Å; E847-R850 VanDerWaalsContact OE1-NH1 3.09Å; E847-R850 IonicContact OE1-NH2 2.67Å; E847-R850 PolarHBondContact OE1-NH2 3.03Å; E847-E851 PolarHBondContact O-N 2.97Å
848S96.1Very high96.8Very high58 Ų58104.4 Ų104.441%0.40648%0.479SS..Hα-helixtrans-59.6-33.8176.5-172.10000112.6K844 R850 E851 V852K844-S848 PolarHBondContact O-N 2.98Å; S848-R850 VanDerWaalsContact C-N 3.34Å; S848-R850 PolarHBondContact O-N 3.34Å; S848-E851 WeakPolarHBondContact CA-OE2 3.29Å; S848-E851 PolarHBondContact O-N 3.36Å; S848-V852 WeakPolarHBondContact O-CB 3.19Å; S848-V852 WeakPolarHBondContact O-CG2 3.38Å; S848-V852 PolarHBondContact O-N 3.37Å
849R97.3Very high97Very high117 Ų117103.8 Ų103.844%0.44248%0.476SS..Hα-helixtrans-64.6-34.4171.4-168.2-170.369.6-154.3-9.4112.6Y845 E846 E847 V853Y845-R849 VanDerWaalsContact O-CB 3.24Å; Y845-R849 WeakPolarHBondContact O-CB 3.38Å; Y845-R849 PolarHBondContact O-N 3.47Å; E846-R849 IonicContact OE2-CZ 3.28Å; E846-R849 VanDerWaalsContact OE2-CZ 3.3Å; E846-R849 IonicContact OE2-NH1 3.26Å; E846-R849 PolarHBondContact OE2-NH1 3.4Å; E846-R849 IonicContact OE2-NH2 3.09Å; E846-R849 PolarHBondContact OE2-NH2 3.45Å; E847-R849 PolarHBondContact O-N 2.92Å; R849-V853 VanDerWaalsContact O-CG2 3.31Å; R849-V853 WeakPolarHBondContact O-CG2 3.31Å; R849-V853 PolarHBondContact O-N 2.98Å
850R97.2Very high97.1Very high137 Ų137104.4 Ų104.452%0.51748%0.483SS..Hα-helixtrans-68.9-47.7173.1-79.1177.3-75.9137.1-5.7110.7E846 E847 S848 V852 V853 E854E846-R850 WeakPolarHBondContact O-CG 3.47Å; E846-R850 PolarHBondContact O-N 2.88Å; E846-R850 PolarHBondContact O-NE 3.4Å; E847-R850 WeakPolarHBondContact O-CA 3.38Å; E847-R850 VanDerWaalsContact O-CB 3.31Å; E847-R850 WeakPolarHBondContact O-CB 3.4Å; E847-R850 PolarHBondContact O-N 3.19Å; E847-R850 IonicContact OE1-CZ 3.17Å; E847-R850 VanDerWaalsContact OE1-CZ 3.28Å; E847-R850 IonicContact OE1-NH1 3.51Å; E847-R850 PolarHBondContact OE1-NH1 3.03Å; E847-R850 VanDerWaalsContact OE1-NH1 3.09Å; E847-R850 IonicContact OE1-NH2 2.67Å; E847-R850 PolarHBondContact OE1-NH2 3.03Å; S848-R850 VanDerWaalsContact C-N 3.34Å; S848-R850 PolarHBondContact O-N 3.34Å; R850-V852 VanDerWaalsContact C-N 3.35Å; R850-V852 PolarHBondContact O-N 3.44Å; R850-V853 WeakPolarHBondContact O-CB 3.33Å; R850-V853 PolarHBondContact O-N 2.8Å; R850-E854 PolarHBondContact O-N 3.18Å
851E96.7Very high97.2Very high115 Ų115104.9 Ų104.954%0.53749%0.485SS..Hα-helixtrans-56-46.1176.6-64.3172.815700111.9E847 S848 V853 E854 M855E847-E851 PolarHBondContact O-N 2.97Å; S848-E851 WeakPolarHBondContact CA-OE2 3.29Å; S848-E851 PolarHBondContact O-N 3.36Å; E851-V853 VanDerWaalsContact C-N 3.3Å; E851-V853 PolarHBondContact O-N 3.49Å; E851-E854 PolarHBondContact O-N 3.3Å; E851-E854 VanDerWaalsContact O-N 3.16Å; E851-M855 WeakPolarHBondContact O-CB 3.39Å; E851-M855 PolarHBondContact O-N 2.65Å
852V97.5Very high97.3Very high66 Ų66104.9 Ų104.940%0.449%0.486SS..Hα-helixtrans-64.8-32.6177.2169.50000112.2S848 R850 R856S848-V852 WeakPolarHBondContact O-CB 3.19Å; S848-V852 WeakPolarHBondContact O-CG2 3.38Å; S848-V852 PolarHBondContact O-N 3.37Å; R850-V852 VanDerWaalsContact C-N 3.35Å; R850-V852 PolarHBondContact O-N 3.44Å; V852-R856 WeakPolarHBondContact O-CD 3.47Å; V852-R856 WeakPolarHBondContact O-CG 3.5Å; V852-R856 PolarHBondContact O-N 3.5Å; V852-R856 VanDerWaalsContact O-N 3.16Å
853V97.5Very high97.3Very high71 Ų71105.1 Ų105.143%0.4349%0.492SS..Hα-helixtrans-72.5-35.2173.6166.50000111.5R849 R850 E851 R856 K857R849-V853 VanDerWaalsContact O-CG2 3.31Å; R849-V853 WeakPolarHBondContact O-CG2 3.31Å; R849-V853 PolarHBondContact O-N 2.98Å; R850-V853 WeakPolarHBondContact O-CB 3.33Å; R850-V853 PolarHBondContact O-N 2.8Å; E851-V853 VanDerWaalsContact C-N 3.3Å; E851-V853 PolarHBondContact O-N 3.49Å; V853-R856 PolarHBondContact O-N 3Å; V853-K857 WeakPolarHBondContact O-CG 3.48Å; V853-K857 PolarHBondContact O-N 2.91Å
854E97.3Very high97.4Very high118 Ų118106.3 Ų106.355%0.55149%0.493SS*.Hα-helixtrans-70.1-45.5175.5-174151-143.900112R850 E851 R856 K857 I858R850-E854 PolarHBondContact O-N 3.18Å; E851-E854 PolarHBondContact O-N 3.3Å; E851-E854 VanDerWaalsContact O-N 3.16Å; E854-R856 VanDerWaalsContact C-N 3.25Å; E854-R856 PolarHBondContact O-N 3.29Å; E854-K857 WeakPolarHBondContact O-CB 3.4Å; E854-K857 PolarHBondContact O-N 2.91Å; E854-I858 HydrophobicContact CG-CD1 4.32Å; E854-I858 WeakPolarHBondContact O-CG1 3.25Å; E854-I858 PolarHBondContact O-N 2.63Å
855M97.9Very high97.5Very high118 Ų118104.9 Ų104.958%0.58149%0.493SS*.Hα-helixtrans-55.2-40.2171.8-168.86466.600111.8E851 K857 I858 V859E851-M855 WeakPolarHBondContact O-CB 3.39Å; E851-M855 PolarHBondContact O-N 2.65Å; M855-K857 PolarHBondContact O-N 2.97Å; M855-I858 PolarHBondContact O-N 2.84Å; M855-V859 WeakPolarHBondContact O-CG2 3.36Å; M855-V859 PolarHBondContact O-N 2.93Å
856R97.8Very high97.6Very high174 Ų174102.4 Ų102.466%0.65749%0.489SS*.Hα-helixtrans-65.5-34.5174.6-75.2170.2-172.1-173.83.4113.5V852 V853 E854 A860V852-R856 WeakPolarHBondContact O-CD 3.47Å; V852-R856 WeakPolarHBondContact O-CG 3.5Å; V852-R856 PolarHBondContact O-N 3.5Å; V852-R856 VanDerWaalsContact O-N 3.16Å; V853-R856 PolarHBondContact O-N 3Å; E854-R856 VanDerWaalsContact C-N 3.25Å; E854-R856 PolarHBondContact O-N 3.29Å; R856-A860 WeakPolarHBondContact O-CB 3.3Å; R856-A860 PolarHBondContact O-N 3.06Å
857K98.3Very high97.7Very high132 Ų132101.2 Ų101.257%0.57449%0.493SS*.Hα-helixtrans-66.7-44.1173-65.7169.8-173.7173.10110.9V853 E854 M855 A860 E861V853-K857 WeakPolarHBondContact O-CG 3.48Å; V853-K857 PolarHBondContact O-N 2.91Å; E854-K857 WeakPolarHBondContact O-CB 3.4Å; E854-K857 PolarHBondContact O-N 2.91Å; M855-K857 PolarHBondContact O-N 2.97Å; K857-A860 PolarHBondContact O-N 2.99Å; K857-E861 PolarHBondContact O-N 3.34Å
858I98.1Very high97.7Very high79 Ų79101 Ų10141%0.40549%0.492SS..Hα-helixtrans-59.9-47.3178.1-67.1166.8000110.2E854 M855 E861 Y862E854-I858 HydrophobicContact CG-CD1 4.32Å; E854-I858 WeakPolarHBondContact O-CG1 3.25Å; E854-I858 PolarHBondContact O-N 2.63Å; M855-I858 PolarHBondContact O-N 2.84Å; I858-E861 PolarHBondContact O-N 3.39Å; I858-Y862 HydrophobicContact CG2-CD2 3.8Å; I858-Y862 HydrophobicContact CG2-CE2 3.46Å; I858-Y862 VanDerWaalsContact CG2-CE2 3.46Å; I858-Y862 WeakPolarHBondContact O-CD2 3.44Å; I858-Y862 PolarHBondContact O-N 3.46Å
859V98.3Very high97.8Very high67 Ų67104.2 Ų104.241%0.40650%0.502SS..Hα-helixtrans-60.6-45.9174.4171.60000111.8M855 E861 Y862 E863M855-V859 WeakPolarHBondContact O-CG2 3.36Å; M855-V859 PolarHBondContact O-N 2.93Å; V859-E861 VanDerWaalsContact C-N 3.34Å; V859-E861 PolarHBondContact O-N 2.83Å; V859-Y862 PolarHBondContact O-N 2.73Å; V859-Y862 VanDerWaalsContact O-N 3.14Å; V859-E863 HydrophobicContact CG1-CG 4.25Å; V859-E863 WeakPolarHBondContact O-CG 3.3Å; V859-E863 PolarHBondContact O-N 3.46Å
860A98Very high97.8Very high46 Ų46103.4 Ų103.438%0.3851%0.506SS..Hα-helixtrans-63.8-36.1179.900000113.3R856 K857 K864R856-A860 WeakPolarHBondContact O-CB 3.3Å; R856-A860 PolarHBondContact O-N 3.06Å; K857-A860 PolarHBondContact O-N 2.99Å; A860-K864 VanDerWaalsContact O-CB 3.25Å; A860-K864 WeakPolarHBondContact O-CB 3.43Å; A860-K864 PolarHBondContact O-N 2.71Å
861E97.8Very high97.9Very high104 Ų104102.2 Ų102.249%0.48651%0.506SS..Hα-helixtrans-70.1-36.4172.9-71.3-65.3147.100111.7K857 I858 V859 K864 T865K857-E861 PolarHBondContact O-N 3.34Å; I858-E861 PolarHBondContact O-N 3.39Å; V859-E861 VanDerWaalsContact C-N 3.34Å; V859-E861 PolarHBondContact O-N 2.83Å; E861-K864 PolarHBondContact O-N 3.46Å; E861-K864 IonicContact OE1-NZ 2.69Å; E861-K864 PolarHBondContact OE1-NZ 3.06Å; E861-K864 IonicContact OE2-NZ 2.65Å; E861-K864 PolarHBondContact OE2-NZ 3.06Å; E861-T865 WeakPolarHBondContact O-CB 3.2Å; E861-T865 PolarHBondContact O-N 2.8Å; E861-T865 PolarHBondContact O-OG1 3.18Å
862Y98.3Very high97.9Very high155 Ų15599.7 Ų99.761%0.60850%0.496SS*.Hα-helixtrans-64.9-44.3170.5-76.6-55.7000113I858 V859 K864 T865 I866I858-Y862 HydrophobicContact CG2-CD2 3.8Å; I858-Y862 HydrophobicContact CG2-CE2 3.46Å; I858-Y862 VanDerWaalsContact CG2-CE2 3.46Å; I858-Y862 WeakPolarHBondContact O-CD2 3.44Å; I858-Y862 PolarHBondContact O-N 3.46Å; V859-Y862 PolarHBondContact O-N 2.73Å; V859-Y862 VanDerWaalsContact O-N 3.14Å; Y862-K864 VanDerWaalsContact C-N 3.28Å; Y862-K864 PolarHBondContact O-N 2.89Å; Y862-T865 PolarHBondContact O-N 2.98Å; Y862-I866 VanDerWaalsContact O-CG1 3.29Å; Y862-I866 WeakPolarHBondContact O-CG1 3.34Å; Y862-I866 PolarHBondContact O-N 2.94Å
863E97.6Very high97.9Very high125 Ų125100.6 Ų100.658%0.58450%0.496SS*.Hα-helixtrans-57.4-43.4175.4-73.9174.9165.800111.1V859 I866 A867V859-E863 HydrophobicContact CG1-CG 4.25Å; V859-E863 WeakPolarHBondContact O-CG 3.3Å; V859-E863 PolarHBondContact O-N 3.46Å; E863-I866 PolarHBondContact O-N 3.35Å; E863-A867 WeakPolarHBondContact O-CB 3.38Å; E863-A867 PolarHBondContact O-N 2.92Å
864K98.3Very high97.9Very high120 Ų120102.2 Ų102.252%0.52250%0.499SS..Hα-helixtrans-65.3-41.7174.2172.5-178.6158.9-147.10112.8A860 E861 Y862 A867 Q868A860-K864 VanDerWaalsContact O-CB 3.25Å; A860-K864 WeakPolarHBondContact O-CB 3.43Å; A860-K864 PolarHBondContact O-N 2.71Å; E861-K864 PolarHBondContact O-N 3.46Å; E861-K864 IonicContact OE1-NZ 2.69Å; E861-K864 PolarHBondContact OE1-NZ 3.06Å; E861-K864 IonicContact OE2-NZ 2.65Å; E861-K864 PolarHBondContact OE2-NZ 3.06Å; Y862-K864 VanDerWaalsContact C-N 3.28Å; Y862-K864 PolarHBondContact O-N 2.89Å; K864-A867 PolarHBondContact O-N 2.99Å; K864-Q868 WeakPolarHBondContact O-CB 3.45Å; K864-Q868 PolarHBondContact O-N 3.25Å
865T98.1Very high97.9Very high71 Ų71101.4 Ų101.444%0.43649%0.491SS..Hα-helixtrans-62.7-43.8174.3-60.40000111.4E861 Y862 Q868 M869E861-T865 WeakPolarHBondContact O-CB 3.2Å; E861-T865 PolarHBondContact O-N 2.8Å; E861-T865 PolarHBondContact O-OG1 3.18Å; Y862-T865 PolarHBondContact O-N 2.98Å; T865-Q868 PolarHBondContact O-N 2.7Å; T865-M869 HydrophobicContact CG2-SD 4.32Å; T865-M869 WeakPolarHBondContact O-CG 3.31Å; T865-M869 PolarHBondContact O-N 3.15Å
866I98.2Very high97.9Very high102 Ų102102.3 Ų102.352%0.52349%0.494SS..Hα-helixtrans-63.2-44.2176.6-67.6162.7000110.6Y862 E863 Q868 M869 I870Y862-I866 VanDerWaalsContact O-CG1 3.29Å; Y862-I866 WeakPolarHBondContact O-CG1 3.34Å; Y862-I866 PolarHBondContact O-N 2.94Å; E863-I866 PolarHBondContact O-N 3.35Å; I866-Q868 VanDerWaalsContact C-N 3.35Å; I866-Q868 PolarHBondContact O-N 3.39Å; I866-M869 PolarHBondContact O-N 3.07Å; I866-I870 HydrophobicContact CG2-CD1 3.94Å; I866-I870 VanDerWaalsContact O-CG1 3.3Å; I866-I870 WeakPolarHBondContact O-CG1 3.35Å; I866-I870 PolarHBondContact O-N 3.34Å
867A98.2Very high97.9Very high58 Ų5898.8 Ų98.848%0.47948%0.483SS..Hα-helixtrans-61.1-41.9175.600000112.3E863 K864 I870 E871E863-A867 WeakPolarHBondContact O-CB 3.38Å; E863-A867 PolarHBondContact O-N 2.92Å; K864-A867 PolarHBondContact O-N 2.99Å; A867-I870 PolarHBondContact O-N 2.88Å; A867-E871 PolarHBondContact O-N 3.03Å
868Q98Very high97.9Very high87 Ų8795.9 Ų95.941%0.40748%0.479SS..Hα-helixtrans-65.6-44.4176.7-168.561.569.600111.7K864 T865 I866 I870 E871 D872K864-Q868 WeakPolarHBondContact O-CB 3.45Å; K864-Q868 PolarHBondContact O-N 3.25Å; T865-Q868 PolarHBondContact O-N 2.7Å; I866-Q868 VanDerWaalsContact C-N 3.35Å; I866-Q868 PolarHBondContact O-N 3.39Å; Q868-I870 VanDerWaalsContact C-N 3.28Å; Q868-I870 PolarHBondContact O-N 3.29Å; Q868-E871 PolarHBondContact NE2-OE2 3.32Å; Q868-E871 PolarHBondContact O-N 2.94Å; Q868-D872 PolarHBondContact NE2-OD1 2.97Å; Q868-D872 WeakPolarHBondContact O-CB 3.28Å; Q868-D872 PolarHBondContact O-N 3.32Å
869M97.9Very high97.9Very high127 Ų12796.6 Ų96.663%0.62648%0.483SS*.Hα-helixtrans-59.5-37.7175.5-73.6179.268.400112.4T865 I866 E873T865-M869 HydrophobicContact CG2-SD 4.32Å; T865-M869 WeakPolarHBondContact O-CG 3.31Å; T865-M869 PolarHBondContact O-N 3.15Å; I866-M869 PolarHBondContact O-N 3.07Å; M869-E873 VanDerWaalsContact O-CB 3.3Å; M869-E873 WeakPolarHBondContact O-CB 3.5Å; M869-E873 PolarHBondContact O-N 3.39Å
870I97.6Very high97.9Very high99 Ų9996.1 Ų96.151%0.50848%0.483SS..Hα-helixtrans-67.8-45.4175.3-67.4164.3000110.6I866 A867 Q868 D872 E873 Q874I866-I870 HydrophobicContact CG2-CD1 3.94Å; I866-I870 VanDerWaalsContact O-CG1 3.3Å; I866-I870 WeakPolarHBondContact O-CG1 3.35Å; I866-I870 PolarHBondContact O-N 3.34Å; A867-I870 PolarHBondContact O-N 2.88Å; Q868-I870 VanDerWaalsContact C-N 3.28Å; Q868-I870 PolarHBondContact O-N 3.29Å; I870-D872 VanDerWaalsContact C-N 3.34Å; I870-D872 PolarHBondContact O-N 3.49Å; I870-E873 PolarHBondContact O-N 2.98Å; I870-Q874 VanDerWaalsContact O-CG 3.31Å; I870-Q874 WeakPolarHBondContact O-CG 3.44Å; I870-Q874 PolarHBondContact O-N 3.48Å
871E97.8Very high97.9Very high112 Ų11299.4 Ų99.452%0.52349%0.49SS..Hα-helixtrans-62.3-42.8176.4-166.2-166.7-127.200111.5A867 Q868 Q874 R875A867-E871 PolarHBondContact O-N 3.03Å; Q868-E871 PolarHBondContact NE2-OE2 3.32Å; Q868-E871 PolarHBondContact O-N 2.94Å; E871-Q874 PolarHBondContact O-N 3.3Å; E871-R875 WeakPolarHBondContact O-CB 3.32Å; E871-R875 PolarHBondContact O-N 2.87Å; E871-R875 IonicContact OE2-CZ 2.65Å; E871-R875 IonicContact OE2-NH2 2.97Å; E871-R875 PolarHBondContact OE2-NH2 3.38Å
872D97.4Very high97.9Very high63 Ų63101 Ų10134%0.33750%0.497SS..Hα-helixtrans-61.2-45.7178.3-67.4-15.1000111.5Q868 I870 Q874 R875 E876Q868-D872 PolarHBondContact NE2-OD1 2.97Å; Q868-D872 WeakPolarHBondContact O-CB 3.28Å; Q868-D872 PolarHBondContact O-N 3.32Å; I870-D872 VanDerWaalsContact C-N 3.34Å; I870-D872 PolarHBondContact O-N 3.49Å; D872-Q874 PolarHBondContact O-N 3.46Å; D872-R875 WeakPolarHBondContact O-CB 3.43Å; D872-R875 PolarHBondContact O-N 3.26Å; D872-R875 IonicContact OD1-CZ 3.86Å; D872-R875 IonicContact OD1-NH1 2.66Å; D872-R875 PolarHBondContact OD1-NH1 2.77Å; D872-R875 IonicContact OD1-NH2 2.69Å; D872-R875 PolarHBondContact OD1-NH2 2.98Å; D872-E876 WeakPolarHBondContact O-CB 3.48Å; D872-E876 PolarHBondContact O-N 3.41Å
873E97.4Very high97.9Very high84 Ų8497.2 Ų97.239%0.39349%0.49SS..Hα-helixtrans-63.8-38.1176.9-165.4-134.7-155.500112.1M869 I870 K877M869-E873 VanDerWaalsContact O-CB 3.3Å; M869-E873 WeakPolarHBondContact O-CB 3.5Å; M869-E873 PolarHBondContact O-N 3.39Å; I870-E873 PolarHBondContact O-N 2.98Å; E873-K877 VanDerWaalsContact CD-CE 3.42Å; E873-K877 HydrophobicContact CG-CD 4.48Å; E873-K877 WeakPolarHBondContact O-CB 3.33Å; E873-K877 WeakPolarHBondContact O-CD 3.28Å; E873-K877 WeakPolarHBondContact O-CG 3.31Å; E873-K877 PolarHBondContact O-N 3.01Å; E873-K877 WeakPolarHBondContact OE1-CE 3.37Å; E873-K877 IonicContact OE1-NZ 3.3Å; E873-K877 PolarHBondContact OE1-NZ 2.95Å; E873-K877 WeakPolarHBondContact OE2-CE 3.49Å; E873-K877 IonicContact OE2-NZ 2.67Å; E873-K877 PolarHBondContact OE2-NZ 3.29Å
874Q97.8Very high98Very high105 Ų10595.2 Ų95.249%0.49149%0.487SS..Hα-helixtrans-71.4-32.6174-63.9-57.1-6100112.5I870 E871 D872 S878I870-Q874 VanDerWaalsContact O-CG 3.31Å; I870-Q874 WeakPolarHBondContact O-CG 3.44Å; I870-Q874 PolarHBondContact O-N 3.48Å; E871-Q874 PolarHBondContact O-N 3.3Å; D872-Q874 PolarHBondContact O-N 3.46Å; Q874-S878 PolarHBondContact O-N 2.94Å; Q874-S878 PolarHBondContact O-OG 3.33Å
875R97.8Very high98Very high102 Ų10294.3 Ų94.339%0.38548%0.484SS..Hα-helixtrans-70.3-42.4175-154-174-47103.61111E871 D872 S878 I879E871-R875 WeakPolarHBondContact O-CB 3.32Å; E871-R875 PolarHBondContact O-N 2.87Å; E871-R875 IonicContact OE2-CZ 2.65Å; E871-R875 IonicContact OE2-NH2 2.97Å; E871-R875 PolarHBondContact OE2-NH2 3.38Å; D872-R875 WeakPolarHBondContact O-CB 3.43Å; D872-R875 PolarHBondContact O-N 3.26Å; D872-R875 IonicContact OD1-CZ 3.86Å; D872-R875 IonicContact OD1-NH1 2.66Å; D872-R875 PolarHBondContact OD1-NH1 2.77Å; D872-R875 IonicContact OD1-NH2 2.69Å; D872-R875 PolarHBondContact OD1-NH2 2.98Å; R875-S878 PolarHBondContact O-N 3.46Å; R875-S878 PolarHBondContact O-OG 2.96Å; R875-I879 HydrophobicContact CG-CD1 4.2Å; R875-I879 WeakPolarHBondContact O-CB 3.2Å; R875-I879 VanDerWaalsContact O-CG1 3.27Å; R875-I879 WeakPolarHBondContact O-CG1 3.27Å; R875-I879 PolarHBondContact O-N 3.37Å
876E97.6Very high98Very high137 Ų13796.5 Ų96.564%0.6449%0.49SS*.Hα-helixtrans-62.8-41.5173.1-175.4174-147.900111.2D872 S878 I879 S880D872-E876 WeakPolarHBondContact O-CB 3.48Å; D872-E876 PolarHBondContact O-N 3.41Å; E876-S878 PolarHBondContact O-N 3.03Å; E876-I879 PolarHBondContact O-N 3.03Å; E876-S880 VanDerWaalsContact O-CB 3.28Å; E876-S880 WeakPolarHBondContact O-CB 3.46Å; E876-S880 PolarHBondContact O-N 2.94Å; E876-S880 PolarHBondContact O-OG 2.92Å
877K97.9Very high98Very high100 Ų10096.4 Ų96.444%0.43549%0.49SS..Hα-helixtrans-62.1-36.9172.8-75.9167.5-175.8175.90113.4E873 S880 H881E873-K877 VanDerWaalsContact CD-CE 3.42Å; E873-K877 HydrophobicContact CG-CD 4.48Å; E873-K877 WeakPolarHBondContact O-CB 3.33Å; E873-K877 WeakPolarHBondContact O-CD 3.28Å; E873-K877 WeakPolarHBondContact O-CG 3.31Å; E873-K877 PolarHBondContact O-N 3.01Å; E873-K877 WeakPolarHBondContact OE1-CE 3.37Å; E873-K877 IonicContact OE1-NZ 3.3Å; E873-K877 PolarHBondContact OE1-NZ 2.95Å; E873-K877 WeakPolarHBondContact OE2-CE 3.49Å; E873-K877 IonicContact OE2-NZ 2.67Å; E873-K877 PolarHBondContact OE2-NZ 3.29Å; K877-S880 WeakPolarHBondContact CA-OG 3.39Å; K877-S880 PolarHBondContact O-OG 2.95Å; K877-H881 WeakPolarHBondContact O-CB 3.44Å; K877-H881 PolarHBondContact O-N 2.66Å; K877-H881 VanDerWaalsContact O-N 3.07Å
878S97.7Very high98Very high71 Ų7196.8 Ų96.850%0.49749%0.486SS..Hα-helixtrans-75.4-40.4177.568.50000112.5Q874 R875 E876 Q882Q874-S878 PolarHBondContact O-N 2.94Å; Q874-S878 PolarHBondContact O-OG 3.33Å; R875-S878 PolarHBondContact O-N 3.46Å; R875-S878 PolarHBondContact O-OG 2.96Å; E876-S878 PolarHBondContact O-N 3.03Å; S878-Q882 PolarHBondContact O-N 3.1Å
879I98.2Very high98.1Very high93 Ų9397.4 Ų97.448%0.47749%0.491SS..Hα-helixtrans-64.1-51174.9-67.6164.2000110.5R875 E876 H881 Q882 T883R875-I879 HydrophobicContact CG-CD1 4.2Å; R875-I879 WeakPolarHBondContact O-CB 3.2Å; R875-I879 VanDerWaalsContact O-CG1 3.27Å; R875-I879 WeakPolarHBondContact O-CG1 3.27Å; R875-I879 PolarHBondContact O-N 3.37Å; E876-I879 PolarHBondContact O-N 3.03Å; I879-H881 VanDerWaalsContact C-N 3.31Å; I879-H881 PolarHBondContact O-N 3.13Å; I879-Q882 WeakPolarHBondContact O-CB 3.44Å; I879-Q882 PolarHBondContact O-N 2.97Å; I879-T883 PolarHBondContact O-N 3.35Å; I879-T883 PolarHBondContact O-OG1 3.34Å
880S97.6Very high98.1Very high58 Ų5897 Ų9741%0.40649%0.488SS..Hα-helixtrans-63.2-36.8179.453.50000112.1E876 K877 T883 V884E876-S880 VanDerWaalsContact O-CB 3.28Å; E876-S880 WeakPolarHBondContact O-CB 3.46Å; E876-S880 PolarHBondContact O-N 2.94Å; E876-S880 PolarHBondContact O-OG 2.92Å; K877-S880 WeakPolarHBondContact CA-OG 3.39Å; K877-S880 PolarHBondContact O-OG 2.95Å; S880-T883 PolarHBondContact O-N 2.91Å; S880-V884 WeakPolarHBondContact O-CG2 3.4Å; S880-V884 PolarHBondContact O-N 3.44Å
881H98.4Very high98.1Very high114 Ų11499 Ų9953%0.52849%0.493SS..Hα-helixtrans-62.6-41.6170.8-171.157.8000112.6K877 I879 V884 Q885K877-H881 WeakPolarHBondContact O-CB 3.44Å; K877-H881 PolarHBondContact O-N 2.66Å; K877-H881 VanDerWaalsContact O-N 3.07Å; I879-H881 VanDerWaalsContact C-N 3.31Å; I879-H881 PolarHBondContact O-N 3.13Å; H881-V884 PolarHBondContact O-N 2.95Å; H881-Q885 PolarHBondContact CD2-NE2 3.38Å; H881-Q885 VanDerWaalsContact CD2-NE2 3.32Å; H881-Q885 PolarHBondContact NE2-NE2 2.9Å; H881-Q885 WeakPolarHBondContact O-CG 3.33Å; H881-Q885 PolarHBondContact O-N 3.49Å
882Q98.5Very high98.2Very high137 Ų13799.1 Ų99.164%0.6449%0.494SS*.Hα-helixtrans-64.5-41.5175.4-172.7178.85.300111.9S878 I879 Q885 Q886S878-Q882 PolarHBondContact O-N 3.1Å; I879-Q882 WeakPolarHBondContact O-CB 3.44Å; I879-Q882 PolarHBondContact O-N 2.97Å; Q882-Q885 PolarHBondContact O-N 3.2Å; Q882-Q886 PolarHBondContact O-N 2.76Å
883T98.4Very high98.2Very high76 Ų76101.3 Ų101.347%0.46650%0.502SS..Hα-helixtrans-62-42.5174.2-55.90000111.6I879 S880 Q886 L887I879-T883 PolarHBondContact O-N 3.35Å; I879-T883 PolarHBondContact O-OG1 3.34Å; S880-T883 PolarHBondContact O-N 2.91Å; T883-Q886 PolarHBondContact O-N 2.89Å; T883-L887 HydrophobicContact CG2-CD1 4.18Å; T883-L887 WeakPolarHBondContact O-CG 3.29Å; T883-L887 PolarHBondContact O-N 2.96Å
884V98.5Very high98.3Very high83 Ų83100 Ų10050%0.50351%0.506SS..Hα-helixtrans-64.4-42175.6169.40000111.5S880 H881 Q886 L887 V888S880-V884 WeakPolarHBondContact O-CG2 3.4Å; S880-V884 PolarHBondContact O-N 3.44Å; H881-V884 PolarHBondContact O-N 2.95Å; V884-Q886 VanDerWaalsContact C-N 3.35Å; V884-Q886 PolarHBondContact O-N 3.12Å; V884-L887 PolarHBondContact O-N 3.32Å; V884-V888 WeakPolarHBondContact O-CG2 3.43Å; V884-V888 PolarHBondContact O-N 3.08Å
885Q98.6Very high98.3Very high102 Ų10299.4 Ų99.448%0.47751%0.505SS..Hα-helixtrans-60.3-43.4173.5-73.7-177.317.100111.9H881 Q882 V888 L889H881-Q885 PolarHBondContact CD2-NE2 3.38Å; H881-Q885 VanDerWaalsContact CD2-NE2 3.32Å; H881-Q885 PolarHBondContact NE2-NE2 2.9Å; H881-Q885 WeakPolarHBondContact O-CG 3.33Å; H881-Q885 PolarHBondContact O-N 3.49Å; Q882-Q885 PolarHBondContact O-N 3.2Å; Q885-V888 PolarHBondContact O-N 2.78Å; Q885-L889 WeakPolarHBondContact O-CG 3.39Å; Q885-L889 PolarHBondContact O-N 2.69Å
886Q98.6Very high98.4Very high116 Ų11697.2 Ų97.254%0.54251%0.509SS..Hα-helixtrans-61.4-45.1177.8-176.959.744.600112Q882 T883 V884 V888 L889 E890Q882-Q886 PolarHBondContact O-N 2.76Å; T883-Q886 PolarHBondContact O-N 2.89Å; V884-Q886 VanDerWaalsContact C-N 3.35Å; V884-Q886 PolarHBondContact O-N 3.12Å; Q886-V888 VanDerWaalsContact C-N 3.32Å; Q886-V888 PolarHBondContact O-N 2.73Å; Q886-L889 PolarHBondContact O-N 3.34Å; Q886-E890 WeakPolarHBondContact O-CB 3.46Å; Q886-E890 PolarHBondContact O-N 3.49Å
887L98.6Very high98.4Very high100 Ų10094.6 Ų94.652%0.52450%0.499SS..Hα-helixtrans-66.9-30.6176.9-70.4170.5000112.9T883 V884 K891T883-L887 HydrophobicContact CG2-CD1 4.18Å; T883-L887 WeakPolarHBondContact O-CG 3.29Å; T883-L887 PolarHBondContact O-N 2.96Å; V884-L887 PolarHBondContact O-N 3.32Å; L887-K891 VanDerWaalsContact O-CB 3.28Å; L887-K891 WeakPolarHBondContact O-CB 3.19Å; L887-K891 PolarHBondContact O-N 2.94Å
888V98.6Very high98.5Very high66 Ų6694.3 Ų94.340%0.450%0.502SS..Hα-helixtrans-66.9-45.8172.1167.30000110.8V884 Q885 Q886 E890 K891 E892V884-V888 WeakPolarHBondContact O-CG2 3.43Å; V884-V888 PolarHBondContact O-N 3.08Å; Q885-V888 PolarHBondContact O-N 2.78Å; Q886-V888 VanDerWaalsContact C-N 3.32Å; Q886-V888 PolarHBondContact O-N 2.73Å; V888-E890 PolarHBondContact O-N 3.1Å; V888-K891 PolarHBondContact O-N 2.69Å; V888-E892 WeakPolarHBondContact O-CB 3.48Å; V888-E892 WeakPolarHBondContact O-CG 3.43Å; V888-E892 PolarHBondContact O-N 3.2Å
889L98.5Very high98.5Very high100 Ų10094 Ų9452%0.52450%0.495SS..Hα-helixtrans-64.1-39.8177-68172.5000112.2Q885 Q886 E892 Q893Q885-L889 WeakPolarHBondContact O-CG 3.39Å; Q885-L889 PolarHBondContact O-N 2.69Å; Q886-L889 PolarHBondContact O-N 3.34Å; L889-E892 PolarHBondContact O-N 2.89Å; L889-Q893 WeakPolarHBondContact O-CB 3.25Å; L889-Q893 PolarHBondContact O-N 3.4Å
890E98.4Very high98.5Very high120 Ų12093.1 Ų93.156%0.56150%0.497SS*.Hα-helixtrans-64.3-42175.3-172.8174.4175.900111.9Q886 V888 Q893 A894Q886-E890 WeakPolarHBondContact O-CB 3.46Å; Q886-E890 PolarHBondContact O-N 3.49Å; V888-E890 PolarHBondContact O-N 3.1Å; E890-Q893 PolarHBondContact O-N 2.91Å; E890-A894 WeakPolarHBondContact O-CB 3.41Å; E890-A894 PolarHBondContact O-N 3.45Å
891K98.6Very high98.6Very high139 Ų13994.6 Ų94.660%0.60450%0.503SS*.Hα-helixtrans-62.1-44.2172178.2-168.7171-170.60112.1L887 V888 Q893 A894 L895L887-K891 VanDerWaalsContact O-CB 3.28Å; L887-K891 WeakPolarHBondContact O-CB 3.19Å; L887-K891 PolarHBondContact O-N 2.94Å; V888-K891 PolarHBondContact O-N 2.69Å; K891-Q893 VanDerWaalsContact C-N 3.34Å; K891-A894 PolarHBondContact O-N 3.26Å; K891-L895 HydrophobicContact CG-CD1 4.12Å; K891-L895 WeakPolarHBondContact O-CB 3.42Å; K891-L895 VanDerWaalsContact O-CG 3.31Å; K891-L895 WeakPolarHBondContact O-CG 3.45Å; K891-L895 PolarHBondContact O-N 2.91Å
892E98.6Very high98.6Very high115 Ų11593.7 Ų93.754%0.53750%0.499SS..Hα-helixtrans-64.7-39.3179.1-76177.4-17900111.6V888 L889 L895 A896V888-E892 WeakPolarHBondContact O-CB 3.48Å; V888-E892 WeakPolarHBondContact O-CG 3.43Å; V888-E892 PolarHBondContact O-N 3.2Å; L889-E892 PolarHBondContact O-N 2.89Å; E892-L895 PolarHBondContact O-N 2.82Å; E892-A896 PolarHBondContact O-N 3.19Å
893Q98.7Very high98.6Very high109 Ų10993.6 Ų93.651%0.50950%0.497SS..Hα-helixtrans-61.6-50.8171.6-179.159.149.400111.4L889 E890 K891 L895 A896 D897L889-Q893 WeakPolarHBondContact O-CB 3.25Å; L889-Q893 PolarHBondContact O-N 3.4Å; E890-Q893 PolarHBondContact O-N 2.91Å; K891-Q893 VanDerWaalsContact C-N 3.34Å; Q893-L895 VanDerWaalsContact C-N 3.28Å; Q893-L895 PolarHBondContact O-N 3.23Å; Q893-A896 WeakPolarHBondContact O-CB 3.5Å; Q893-A896 PolarHBondContact O-N 2.88Å; Q893-D897 PolarHBondContact NE2-OD1 3.38Å; Q893-D897 VanDerWaalsContact NE2-OD1 3.1Å; Q893-D897 PolarHBondContact NE2-OD2 3.09Å; Q893-D897 PolarHBondContact O-N 3.31Å
894A98.6Very high98.6Very high58 Ų5893.2 Ų93.248%0.47950%0.497SS..Hα-helixtrans-60.4-35.317900000113E890 K891 L898E890-A894 WeakPolarHBondContact O-CB 3.41Å; E890-A894 PolarHBondContact O-N 3.45Å; K891-A894 PolarHBondContact O-N 3.26Å; A894-L898 WeakPolarHBondContact O-CB 3.26Å; A894-L898 PolarHBondContact O-N 3.46Å
895L98.6Very high98.6Very high92 Ų9293.2 Ų93.248%0.48249%0.494SS..Hα-helixtrans-69.4-37.1173.1-73.5170.8000112.5K891 E892 Q893 N899K891-L895 HydrophobicContact CG-CD1 4.12Å; K891-L895 WeakPolarHBondContact O-CB 3.42Å; K891-L895 VanDerWaalsContact O-CG 3.31Å; K891-L895 WeakPolarHBondContact O-CG 3.45Å; K891-L895 PolarHBondContact O-N 2.91Å; E892-L895 PolarHBondContact O-N 2.82Å; Q893-L895 VanDerWaalsContact C-N 3.28Å; Q893-L895 PolarHBondContact O-N 3.23Å; L895-N899 VanDerWaalsContact O-CB 3.29Å; L895-N899 WeakPolarHBondContact O-CB 3.48Å; L895-N899 PolarHBondContact O-N 3.4Å
896A98.7Very high98.6Very high55 Ų5590.7 Ų90.746%0.45549%0.491SS..Hα-helixtrans-66.5-40.9174.700000111.9E892 Q893 N899 S900E892-A896 PolarHBondContact O-N 3.19Å; Q893-A896 WeakPolarHBondContact O-CB 3.5Å; Q893-A896 PolarHBondContact O-N 2.88Å; A896-N899 PolarHBondContact O-N 2.89Å; A896-S900 PolarHBondContact O-N 2.74Å
897D98.6Very high98.6Very high83 Ų8387.6 Ų87.644%0.44448%0.478SS..Hα-helixtrans-68.6-44.9177.5-68.7-36000111.9Q893 N899 S900 V901Q893-D897 PolarHBondContact NE2-OD1 3.38Å; Q893-D897 VanDerWaalsContact NE2-OD1 3.1Å; Q893-D897 PolarHBondContact NE2-OD2 3.09Å; Q893-D897 PolarHBondContact O-N 3.31Å; D897-N899 VanDerWaalsContact C-N 3.3Å; D897-N899 PolarHBondContact O-N 2.75Å; D897-S900 WeakPolarHBondContact O-CA 3.28Å; D897-S900 VanDerWaalsContact O-CB 3.26Å; D897-S900 WeakPolarHBondContact O-CB 3.23Å; D897-S900 PolarHBondContact O-N 2.83Å; D897-S900 VanDerWaalsContact O-N 3.08Å; D897-V901 WeakPolarHBondContact O-CG2 3.5Å; D897-V901 PolarHBondContact O-N 3.26Å
898L98.6Very high98.6Very high93 Ų9387.6 Ų87.649%0.48748%0.478SS..Hα-helixtrans-54.1-48.4171.217560.8000110.9A894 S900 V901 E902A894-L898 WeakPolarHBondContact O-CB 3.26Å; A894-L898 PolarHBondContact O-N 3.46Å; L898-S900 VanDerWaalsContact C-N 3.25Å; L898-S900 PolarHBondContact O-N 3.28Å; L898-V901 WeakPolarHBondContact O-CB 3.4Å; L898-V901 PolarHBondContact O-N 2.73Å; L898-V901 VanDerWaalsContact O-N 3.12Å; L898-E902 HydrophobicContact CD1-CG 4.49Å; L898-E902 WeakPolarHBondContact O-CG 3.49Å; L898-E902 PolarHBondContact O-N 2.92Å
899N98.6Very high98.6Very high66 Ų6690.4 Ų90.435%0.35349%0.485SS..Hα-helixtrans-69.3-22.9-179.7-167.6-111.7000113.4L895 A896 D897 E902 K903L895-N899 VanDerWaalsContact O-CB 3.29Å; L895-N899 WeakPolarHBondContact O-CB 3.48Å; L895-N899 PolarHBondContact O-N 3.4Å; A896-N899 PolarHBondContact O-N 2.89Å; D897-N899 VanDerWaalsContact C-N 3.3Å; D897-N899 PolarHBondContact O-N 2.75Å; N899-E902 WeakPolarHBondContact CA-OE2 3.45Å; N899-E902 PolarHBondContact ND2-OE2 3.19Å; N899-K903 VanDerWaalsContact O-CD 3.28Å; N899-K903 WeakPolarHBondContact O-CD 3.49Å; N899-K903 VanDerWaalsContact O-CG 3.23Å; N899-K903 WeakPolarHBondContact O-CG 3.4Å; N899-K903 PolarHBondContact O-N 3.09Å; N899-K903 WeakPolarHBondContact OD1-CE 3.46Å; N899-K903 PolarHBondContact OD1-NZ 2.88Å
900S98.8Very high98.7Very high73 Ų7393.3 Ų93.351%0.5149%0.489SS..Hα-helixtrans-69.5-45.4168.7-164.60000111.4A896 D897 L898 K903 S904A896-S900 PolarHBondContact O-N 2.74Å; D897-S900 WeakPolarHBondContact O-CA 3.28Å; D897-S900 VanDerWaalsContact O-CB 3.26Å; D897-S900 WeakPolarHBondContact O-CB 3.23Å; D897-S900 PolarHBondContact O-N 2.83Å; D897-S900 VanDerWaalsContact O-N 3.08Å; L898-S900 VanDerWaalsContact C-N 3.25Å; L898-S900 PolarHBondContact O-N 3.28Å; S900-K903 PolarHBondContact O-N 3.19Å; S900-S904 PolarHBondContact O-N 3.43Å
901V98.8Very high98.7Very high89 Ų8994.8 Ų94.854%0.53949%0.489SS..Hα-helixtrans-59.9-49.1174.2174.50000110.8D897 L898 K903 S904 L905D897-V901 WeakPolarHBondContact O-CG2 3.5Å; D897-V901 PolarHBondContact O-N 3.26Å; L898-V901 WeakPolarHBondContact O-CB 3.4Å; L898-V901 PolarHBondContact O-N 2.73Å; L898-V901 VanDerWaalsContact O-N 3.12Å; V901-K903 VanDerWaalsContact C-N 3.34Å; V901-K903 PolarHBondContact O-N 3.45Å; V901-S904 PolarHBondContact O-N 3.44Å; V901-S904 VanDerWaalsContact O-N 3.1Å; V901-S904 PolarHBondContact O-OG 2.72Å; V901-L905 WeakPolarHBondContact O-CB 3.5Å; V901-L905 PolarHBondContact O-N 2.71Å
902E98.6Very high98.7Very high95 Ų9594.7 Ų94.744%0.44449%0.486SS..Hα-helixtrans-53-47.3175.7-71.2173.3157.300112.4L898 N899 L905 A906L898-E902 HydrophobicContact CD1-CG 4.49Å; L898-E902 WeakPolarHBondContact O-CG 3.49Å; L898-E902 PolarHBondContact O-N 2.92Å; N899-E902 WeakPolarHBondContact CA-OE2 3.45Å; N899-E902 PolarHBondContact ND2-OE2 3.19Å; E902-L905 PolarHBondContact O-N 3.5Å; E902-A906 WeakPolarHBondContact O-CB 3.47Å; E902-A906 PolarHBondContact O-N 2.85Å
903K98.6Very high98.7Very high136 Ų13693.6 Ų93.659%0.59148%0.481SS*.Hα-helixtrans-62.2-43.6176.5-76163.1179.8149.80112.1N899 S900 V901 L905 A906 D907N899-K903 VanDerWaalsContact O-CD 3.28Å; N899-K903 WeakPolarHBondContact O-CD 3.49Å; N899-K903 VanDerWaalsContact O-CG 3.23Å; N899-K903 WeakPolarHBondContact O-CG 3.4Å; N899-K903 PolarHBondContact O-N 3.09Å; N899-K903 WeakPolarHBondContact OD1-CE 3.46Å; N899-K903 PolarHBondContact OD1-NZ 2.88Å; S900-K903 PolarHBondContact O-N 3.19Å; V901-K903 VanDerWaalsContact C-N 3.34Å; V901-K903 PolarHBondContact O-N 3.45Å; K903-L905 VanDerWaalsContact C-N 3.34Å; K903-A906 PolarHBondContact O-N 2.88Å; K903-D907 PolarHBondContact O-N 2.94Å; K903-D907 VanDerWaalsContact O-N 3.09Å
904S98.6Very high98.7Very high68 Ų6895.3 Ų95.348%0.47649%0.487SS..Hα-helixtrans-65-38.2178.778.70000112.2S900 V901 D907 L908S900-S904 PolarHBondContact O-N 3.43Å; V901-S904 PolarHBondContact O-N 3.44Å; V901-S904 VanDerWaalsContact O-N 3.1Å; V901-S904 PolarHBondContact O-OG 2.72Å; S904-D907 PolarHBondContact O-N 3.18Å; S904-L908 WeakPolarHBondContact O-CB 3.46Å; S904-L908 PolarHBondContact O-N 2.88Å
905L98.7Very high98.7Very high82 Ų8298 Ų9843%0.42949%0.491SS..Hα-helixtrans-69.1-44178.1179.462000111.2V901 E902 K903 D907 L908 F909V901-L905 WeakPolarHBondContact O-CB 3.5Å; V901-L905 PolarHBondContact O-N 2.71Å; E902-L905 PolarHBondContact O-N 3.5Å; K903-L905 VanDerWaalsContact C-N 3.34Å; L905-D907 VanDerWaalsContact C-N 3.28Å; L905-D907 PolarHBondContact O-N 2.93Å; L905-L908 WeakPolarHBondContact O-CB 3.16Å; L905-L908 PolarHBondContact O-N 3.11Å; L905-F909 HydrophobicContact CD1-CD2 4.01Å; L905-F909 HydrophobicContact CD1-CE2 3.57Å; L905-F909 HydrophobicContact CD1-CZ 4.25Å; L905-F909 HydrophobicContact CD2-CE2 4.2Å; L905-F909 HydrophobicContact CG-CD2 3.94Å; L905-F909 HydrophobicContact CG-CE2 3.66Å; L905-F909 VanDerWaalsContact O-CD2 3.25Å; L905-F909 WeakPolarHBondContact O-CD2 3.34Å; L905-F909 PolarHBondContact O-N 3.19Å
906A98.7Very high98.7Very high50 Ų5098.2 Ų98.241%0.41349%0.488SS..Hα-helixtrans-61.5-35.5174.800000112.6E902 K903 R910E902-A906 WeakPolarHBondContact O-CB 3.47Å; E902-A906 PolarHBondContact O-N 2.85Å; K903-A906 PolarHBondContact O-N 2.88Å; A906-R910 WeakPolarHBondContact O-CB 2.98Å; A906-R910 PolarHBondContact O-N 3.09Å; A906-R910 VanDerWaalsContact O-N 3.13Å
907D98.6Very high98.7Very high51 Ų51102.2 Ų102.227%0.27350%0.497SS..Hα-helixtrans-76.4-32.9173.5-172.270000113.4K903 S904 L905 R910 R911K903-D907 PolarHBondContact O-N 2.94Å; K903-D907 VanDerWaalsContact O-N 3.09Å; S904-D907 PolarHBondContact O-N 3.18Å; L905-D907 VanDerWaalsContact C-N 3.28Å; L905-D907 PolarHBondContact O-N 2.93Å; D907-R910 PolarHBondContact O-N 3.45Å; D907-R910 IonicContact OD1-CZ 2.73Å; D907-R910 IonicContact OD1-NH1 3.19Å; D907-R910 PolarHBondContact OD1-NH1 2.94Å; D907-R911 WeakPolarHBondContact O-CB 3.43Å; D907-R911 PolarHBondContact O-N 2.98Å; D907-R911 IonicContact OD2-CZ 3.14Å; D907-R911 IonicContact OD2-NE 2.74Å; D907-R911 PolarHBondContact OD2-NE 3.03Å; D907-R911 IonicContact OD2-NH2 3.91Å; D907-R911 PolarHBondContact OD2-NH2 3.15Å
908L98.8Very high98.7Very high100 Ų100101.4 Ų101.452%0.52450%0.495SS..Hα-helixtrans-61.7-46.4170.9179.461.2000111.1S904 L905 R910 R911 Y912S904-L908 WeakPolarHBondContact O-CB 3.46Å; S904-L908 PolarHBondContact O-N 2.88Å; L905-L908 WeakPolarHBondContact O-CB 3.16Å; L905-L908 PolarHBondContact O-N 3.11Å; L908-R910 VanDerWaalsContact C-N 3.34Å; L908-R910 PolarHBondContact O-N 3.33Å; L908-R911 PolarHBondContact O-N 3.5Å; L908-Y912 WeakPolarHBondContact O-CB 3.33Å; L908-Y912 PolarHBondContact O-N 3.01Å
909F98.8Very high98.7Very high125 Ų125101.7 Ų101.755%0.54850%0.496SS..Hα-helixtrans-59.8-42.2173.4-79.7-60.6000112.2L905 R911 Y912 E913L905-F909 HydrophobicContact CD1-CD2 4.01Å; L905-F909 HydrophobicContact CD1-CE2 3.57Å; L905-F909 HydrophobicContact CD1-CZ 4.25Å; L905-F909 HydrophobicContact CD2-CE2 4.2Å; L905-F909 HydrophobicContact CG-CD2 3.94Å; L905-F909 HydrophobicContact CG-CE2 3.66Å; L905-F909 VanDerWaalsContact O-CD2 3.25Å; L905-F909 WeakPolarHBondContact O-CD2 3.34Å; L905-F909 PolarHBondContact O-N 3.19Å; F909-R911 PolarHBondContact O-N 3.36Å; F909-Y912 PolarHBondContact O-N 3.21Å; F909-E913 PolarHBondContact O-N 3.28Å
910R98.9Very high98.7Very high160 Ų160101.4 Ų101.460%0.60449%0.493SS*.Hα-helixtrans-61.2-41.4175.2-171.6-171.2-62.1120.41.7112.3A906 D907 L908 K914A906-R910 WeakPolarHBondContact O-CB 2.98Å; A906-R910 PolarHBondContact O-N 3.09Å; A906-R910 VanDerWaalsContact O-N 3.13Å; D907-R910 PolarHBondContact O-N 3.45Å; D907-R910 IonicContact OD1-CZ 2.73Å; D907-R910 IonicContact OD1-NH1 3.19Å; D907-R910 PolarHBondContact OD1-NH1 2.94Å; L908-R910 VanDerWaalsContact C-N 3.34Å; L908-R910 PolarHBondContact O-N 3.33Å; R910-K914 WeakPolarHBondContact O-CB 3.46Å; R910-K914 PolarHBondContact O-N 3.16Å
911R98.7Very high98.7Very high151 Ų15199.8 Ų99.857%0.5749%0.487SS*.Hα-helixtrans-68.3-38.9174.9-80.6-175.7-89.2156.3-5.2112.2D907 L908 F909 K914 M915D907-R911 WeakPolarHBondContact O-CB 3.43Å; D907-R911 PolarHBondContact O-N 2.98Å; D907-R911 IonicContact OD2-CZ 3.14Å; D907-R911 IonicContact OD2-NE 2.74Å; D907-R911 PolarHBondContact OD2-NE 3.03Å; D907-R911 IonicContact OD2-NH2 3.91Å; D907-R911 PolarHBondContact OD2-NH2 3.15Å; L908-R911 PolarHBondContact O-N 3.5Å; F909-R911 PolarHBondContact O-N 3.36Å; R911-K914 PolarHBondContact O-N 3.46Å; R911-M915 WeakPolarHBondContact O-CB 3.38Å; R911-M915 PolarHBondContact O-N 3.05Å
912Y98.8Very high98.7Very high138 Ų138101.8 Ų101.854%0.54149%0.489SS..Hα-helixtrans-63.6-51.1176.5176.1-94.6000112L908 F909 K914 M915 K916L908-Y912 WeakPolarHBondContact O-CB 3.33Å; L908-Y912 PolarHBondContact O-N 3.01Å; F909-Y912 PolarHBondContact O-N 3.21Å; Y912-K914 VanDerWaalsContact C-N 3.28Å; Y912-K914 PolarHBondContact O-N 3.31Å; Y912-M915 WeakPolarHBondContact O-CB 3.31Å; Y912-M915 PolarHBondContact O-N 3.38Å; Y912-M915 VanDerWaalsContact O-N 3.09Å; Y912-K916 HydrophobicContact CE1-CD 3.92Å; Y912-K916 WeakPolarHBondContact O-CB 3.45Å; Y912-K916 PolarHBondContact O-N 2.88Å
913E98.8Very high98.7Very high91 Ų91102.7 Ų102.743%0.42549%0.488SS..Hα-helixtrans-62.5-35.8178.5-73.1-62.1130.400112F909 K916 E917F909-E913 PolarHBondContact O-N 3.28Å; E913-K916 WeakPolarHBondContact O-CB 3.47Å; E913-K916 PolarHBondContact O-N 2.91Å; E913-K916 WeakPolarHBondContact OE1-CD 3.4Å; E913-K916 IonicContact OE1-NZ 3.84Å; E913-K916 PolarHBondContact OE1-NZ 2.67Å; E913-K916 IonicContact OE2-NZ 2.71Å; E913-K916 PolarHBondContact OE2-NZ 2.89Å; E913-E917 PolarHBondContact O-N 3.4Å
914K98.8Very high98.7Very high145 Ų145101.5 Ų101.563%0.6348%0.483SS*.Hα-helixtrans-66.6-39.7172.2-171176.1-179.7178.20112.9R910 R911 Y912 K916 E917 V918R910-K914 WeakPolarHBondContact O-CB 3.46Å; R910-K914 PolarHBondContact O-N 3.16Å; R911-K914 PolarHBondContact O-N 3.46Å; Y912-K914 VanDerWaalsContact C-N 3.28Å; Y912-K914 PolarHBondContact O-N 3.31Å; K914-K916 VanDerWaalsContact C-N 3.35Å; K914-E917 PolarHBondContact O-N 3.39Å; K914-V918 WeakPolarHBondContact O-CG2 3.44Å; K914-V918 PolarHBondContact O-N 2.93Å; K914-V918 VanDerWaalsContact O-N 3.09Å
915M98.7Very high98.7Very high115 Ų115102.4 Ų102.457%0.56748%0.483SS*.Hα-helixtrans-64-42.7174.6-177.862.777.400111R911 Y912 V918 L919R911-M915 WeakPolarHBondContact O-CB 3.38Å; R911-M915 PolarHBondContact O-N 3.05Å; Y912-M915 WeakPolarHBondContact O-CB 3.31Å; Y912-M915 PolarHBondContact O-N 3.38Å; Y912-M915 VanDerWaalsContact O-N 3.09Å; M915-V918 PolarHBondContact O-N 3.19Å; M915-L919 HydrophobicContact CG-CD1 4.06Å; M915-L919 HydrophobicContact CG-CG 4.49Å; M915-L919 WeakPolarHBondContact O-CG 3.37Å; M915-L919 PolarHBondContact O-N 3.43Å
916K98.8Very high98.7Very high96 Ų96102.9 Ų102.942%0.41748%0.483SS..Hα-helixtrans-61.3-41.7175.6175.7-178165.2-151.70112Y912 E913 K914 L919 E920Y912-K916 HydrophobicContact CE1-CD 3.92Å; Y912-K916 WeakPolarHBondContact O-CB 3.45Å; Y912-K916 PolarHBondContact O-N 2.88Å; E913-K916 WeakPolarHBondContact O-CB 3.47Å; E913-K916 PolarHBondContact O-N 2.91Å; E913-K916 WeakPolarHBondContact OE1-CD 3.4Å; E913-K916 IonicContact OE1-NZ 3.84Å; E913-K916 PolarHBondContact OE1-NZ 2.67Å; E913-K916 IonicContact OE2-NZ 2.71Å; E913-K916 PolarHBondContact OE2-NZ 2.89Å; K914-K916 VanDerWaalsContact C-N 3.35Å; K916-L919 PolarHBondContact O-N 2.6Å; K916-E920 WeakPolarHBondContact O-CB 3.39Å; K916-E920 PolarHBondContact O-N 2.83Å
917E98.8Very high98.7Very high139 Ų139104.7 Ų104.765%0.6548%0.483SS*.Hα-helixtrans-61.2-41.8171.5-175.9-178.5-155.600112.4E913 K914 E920 G921E913-E917 PolarHBondContact O-N 3.4Å; K914-E917 PolarHBondContact O-N 3.39Å; E917-E920 WeakPolarHBondContact O-CB 3.23Å; E917-E920 PolarHBondContact O-N 3.4Å; E917-G921 PolarHBondContact O-N 3.43Å
918V98.8Very high98.7Very high66 Ų66106.1 Ų106.140%0.449%0.493SS..Hα-helixtrans-66.6-43.2177168.40000111.8K914 M915 G921 F922K914-V918 WeakPolarHBondContact O-CG2 3.44Å; K914-V918 PolarHBondContact O-N 2.93Å; K914-V918 VanDerWaalsContact O-N 3.09Å; M915-V918 PolarHBondContact O-N 3.19Å; V918-G921 PolarHBondContact O-N 2.89Å; V918-F922 HydrophobicContact CG1-CD2 3.86Å; V918-F922 HydrophobicContact CG1-CE2 3.42Å; V918-F922 VanDerWaalsContact CG1-CE2 3.42Å; V918-F922 HydrophobicContact CG1-CZ 4.21Å; V918-F922 VanDerWaalsContact O-CD2 3.31Å; V918-F922 WeakPolarHBondContact O-CD2 3.31Å; V918-F922 PolarHBondContact O-N 2.87Å
919L98.8Very high98.7Very high99 Ų99106.4 Ų106.452%0.51850%0.495SS..Hα-helixtrans-65-39175.3-69.9168.9000112.2M915 K916 G921 F922 R923M915-L919 HydrophobicContact CG-CD1 4.06Å; M915-L919 HydrophobicContact CG-CG 4.49Å; M915-L919 WeakPolarHBondContact O-CG 3.37Å; M915-L919 PolarHBondContact O-N 3.43Å; K916-L919 PolarHBondContact O-N 2.6Å; L919-G921 VanDerWaalsContact C-N 3.31Å; L919-G921 PolarHBondContact O-N 3.39Å; L919-F922 PolarHBondContact O-N 3.48Å; L919-R923 PolarHBondContact O-N 3.12Å
920E98.7Very high98.7Very high61 Ų61106.3 Ų106.329%0.28549%0.494SS..Hα-helixtrans-60.9-39.5171.518065.3-14900111.6K916 E917 R923 K924K916-E920 WeakPolarHBondContact O-CB 3.39Å; K916-E920 PolarHBondContact O-N 2.83Å; E917-E920 WeakPolarHBondContact O-CB 3.23Å; E917-E920 PolarHBondContact O-N 3.4Å; E920-R923 IonicContact OE1-NH1 2.7Å; E920-R923 PolarHBondContact OE1-NH1 3.08Å; E920-R923 IonicContact OE2-CZ 3.91Å; E920-R923 IonicContact OE2-NH1 3.87Å; E920-R923 PolarHBondContact OE2-NH1 3.2Å; E920-R923 IonicContact OE2-NH2 2.85Å; E920-R923 PolarHBondContact OE2-NH2 3.28Å; E920-K924 VanDerWaalsContact CG-NZ 3.3Å; E920-K924 WeakPolarHBondContact O-CG 3.39Å; E920-K924 PolarHBondContact O-N 3.38Å; E920-K924 WeakPolarHBondContact OE1-CE 3.42Å; E920-K924 IonicContact OE1-NZ 3.63Å; E920-K924 PolarHBondContact OE1-NZ 3.04Å
921G98.8Very high98.7Very high38 Ų38104.2 Ų104.239%0.39249%0.489SS..Hα-helixtrans-64.3-43.7171.800000113.3E917 V918 L919 K924 N925E917-G921 PolarHBondContact O-N 3.43Å; V918-G921 PolarHBondContact O-N 2.89Å; L919-G921 VanDerWaalsContact C-N 3.31Å; L919-G921 PolarHBondContact O-N 3.39Å; G921-K924 PolarHBondContact O-N 3.02Å; G921-N925 PolarHBondContact O-N 3.11Å
922F98.8Very high98.7Very high131 Ų13199.5 Ų99.558%0.57548%0.479SS*.Hα-helixtrans-63.4-41176-74.1-52.4000112.6V918 L919 K924 N925 E926V918-F922 HydrophobicContact CG1-CD2 3.86Å; V918-F922 HydrophobicContact CG1-CE2 3.42Å; V918-F922 VanDerWaalsContact CG1-CE2 3.42Å; V918-F922 HydrophobicContact CG1-CZ 4.21Å; V918-F922 VanDerWaalsContact O-CD2 3.31Å; V918-F922 WeakPolarHBondContact O-CD2 3.31Å; V918-F922 PolarHBondContact O-N 2.87Å; L919-F922 PolarHBondContact O-N 3.48Å; F922-K924 VanDerWaalsContact C-N 3.35Å; F922-K924 PolarHBondContact O-N 3.45Å; F922-N925 WeakPolarHBondContact O-CB 3.13Å; F922-N925 PolarHBondContact O-N 3.16Å; F922-E926 PolarHBondContact O-N 3.33Å
923R98.7Very high98.7Very high114 Ų11495.3 Ų95.343%0.4347%0.473SS..Hα-helixtrans-62.6-40.6176.6-153-166.4-40.9103.67.1112.2L919 E920 N925 E926 E927L919-R923 PolarHBondContact O-N 3.12Å; E920-R923 IonicContact OE1-NH1 2.7Å; E920-R923 PolarHBondContact OE1-NH1 3.08Å; E920-R923 IonicContact OE2-CZ 3.91Å; E920-R923 IonicContact OE2-NH1 3.87Å; E920-R923 PolarHBondContact OE2-NH1 3.2Å; E920-R923 IonicContact OE2-NH2 2.85Å; E920-R923 PolarHBondContact OE2-NH2 3.28Å; R923-N925 VanDerWaalsContact C-N 3.34Å; R923-N925 PolarHBondContact O-N 2.72Å; R923-E926 WeakPolarHBondContact O-CB 3.5Å; R923-E926 PolarHBondContact O-N 3.39Å; R923-E927 PolarHBondContact O-N 2.88Å
924K98.7Very high98.7Very high111 Ų11197.2 Ų97.248%0.48348%0.482SS..Hα-helixtrans-64.7-37.2174.6-74.6165.6-179.1153.20112.4E920 G921 F922 V928E920-K924 VanDerWaalsContact CG-NZ 3.3Å; E920-K924 WeakPolarHBondContact O-CG 3.39Å; E920-K924 PolarHBondContact O-N 3.38Å; E920-K924 WeakPolarHBondContact OE1-CE 3.42Å; E920-K924 IonicContact OE1-NZ 3.63Å; E920-K924 PolarHBondContact OE1-NZ 3.04Å; G921-K924 PolarHBondContact O-N 3.02Å; F922-K924 VanDerWaalsContact C-N 3.35Å; F922-K924 PolarHBondContact O-N 3.45Å; K924-V928 WeakPolarHBondContact O-CG2 3.33Å; K924-V928 PolarHBondContact O-N 3.23Å; K924-V928 VanDerWaalsContact O-N 3.11Å
925N98.7Very high98.7Very high87 Ų8795 Ų9547%0.46547%0.474SS..Hα-helixtrans-65.3-46.3173.5-168.4-7.4000111G921 F922 R923 E927 V928 L929G921-N925 PolarHBondContact O-N 3.11Å; F922-N925 WeakPolarHBondContact O-CB 3.13Å; F922-N925 PolarHBondContact O-N 3.16Å; R923-N925 VanDerWaalsContact C-N 3.34Å; R923-N925 PolarHBondContact O-N 2.72Å; N925-E927 VanDerWaalsContact C-N 3.34Å; N925-E927 PolarHBondContact O-N 2.72Å; N925-V928 PolarHBondContact O-N 2.98Å; N925-V928 VanDerWaalsContact O-N 3.12Å; N925-L929 WeakPolarHBondContact O-CG 3.42Å; N925-L929 PolarHBondContact O-N 2.82Å
926E98.5Very high98.7Very high93 Ų9396.8 Ų96.844%0.43548%0.475SS..Hα-helixtrans-56.8-44.3174.8-168.7-164.3173.200112.2F922 R923 V928 L929 K930F922-E926 PolarHBondContact O-N 3.33Å; R923-E926 WeakPolarHBondContact O-CB 3.5Å; R923-E926 PolarHBondContact O-N 3.39Å; E926-V928 PolarHBondContact O-N 2.92Å; E926-L929 PolarHBondContact O-N 3.3Å; E926-K930 HydrophobicContact CG-CD 4.36Å; E926-K930 WeakPolarHBondContact O-CB 2.93Å; E926-K930 VanDerWaalsContact O-CG 3.32Å; E926-K930 WeakPolarHBondContact O-CG 3.46Å; E926-K930 PolarHBondContact O-N 2.96Å; E926-K930 WeakPolarHBondContact OE1-CE 3.36Å; E926-K930 IonicContact OE1-NZ 2.69Å; E926-K930 PolarHBondContact OE1-NZ 3.21Å
927E98.8Very high98.7Very high88 Ų8898.2 Ų98.241%0.41149%0.487SS..Hα-helixtrans-60.3-41.8173.9-81.5-173.2-131.400113.4R923 N925 K931R923-E927 PolarHBondContact O-N 2.88Å; N925-E927 VanDerWaalsContact C-N 3.34Å; N925-E927 PolarHBondContact O-N 2.72Å; E927-K931 WeakPolarHBondContact O-CB 3.33Å; E927-K931 VanDerWaalsContact O-CD 3.31Å; E927-K931 WeakPolarHBondContact O-CD 3.35Å; E927-K931 VanDerWaalsContact O-CG 3.23Å; E927-K931 WeakPolarHBondContact O-CG 3.42Å; E927-K931 PolarHBondContact O-N 3Å; E927-K931 IonicContact OE2-NZ 2.73Å; E927-K931 PolarHBondContact OE2-NZ 3.26Å
928V98.8Very high98.7Very high80 Ų8094.4 Ų94.449%0.48548%0.475SS..Hα-helixtrans-66.4-45.8177.11690000110.2K924 N925 E926 K930 K931 C932K924-V928 WeakPolarHBondContact O-CG2 3.33Å; K924-V928 PolarHBondContact O-N 3.23Å; K924-V928 VanDerWaalsContact O-N 3.11Å; N925-V928 PolarHBondContact O-N 2.98Å; N925-V928 VanDerWaalsContact O-N 3.12Å; E926-V928 PolarHBondContact O-N 2.92Å; V928-K930 VanDerWaalsContact C-N 3.35Å; V928-K930 PolarHBondContact O-N 3.39Å; V928-K931 PolarHBondContact O-N 2.91Å; V928-C932 PolarHBondContact O-N 2.84Å; V928-C932 PolarHBondContact O-SG 3.17Å
929L98.8Very high98.7Very high106 Ų10698 Ų9856%0.55548%0.482SS*.Hα-helixtrans-60.2-42.3176.7-71.7170.4000112N925 E926 C932 A933N925-L929 WeakPolarHBondContact O-CG 3.42Å; N925-L929 PolarHBondContact O-N 2.82Å; E926-L929 PolarHBondContact O-N 3.3Å; L929-C932 PolarHBondContact O-N 2.86Å; L929-A933 WeakPolarHBondContact O-CB 3.34Å; L929-A933 PolarHBondContact O-N 3.42Å
930K98.8Very high98.7Very high123 Ų12398 Ų9854%0.53549%0.486SS..Hα-helixtrans-60.8-44.8173.6-76.4173.5-178.41720112.1E926 V928 A933 Q934E926-K930 HydrophobicContact CG-CD 4.36Å; E926-K930 WeakPolarHBondContact O-CB 2.93Å; E926-K930 VanDerWaalsContact O-CG 3.32Å; E926-K930 WeakPolarHBondContact O-CG 3.46Å; E926-K930 PolarHBondContact O-N 2.96Å; E926-K930 WeakPolarHBondContact OE1-CE 3.36Å; E926-K930 IonicContact OE1-NZ 2.69Å; E926-K930 PolarHBondContact OE1-NZ 3.21Å; V928-K930 VanDerWaalsContact C-N 3.35Å; V928-K930 PolarHBondContact O-N 3.39Å; K930-A933 PolarHBondContact O-N 3.47Å; K930-Q934 WeakPolarHBondContact O-CB 3.32Å; K930-Q934 PolarHBondContact O-N 3.43Å
931K98.8Very high98.7Very high116 Ų116101.3 Ų101.350%0.50450%0.499SS..Hα-helixtrans-62.4-44.6176.6-71.5159.4-168.21580111.3E927 V928 Q934 E935E927-K931 WeakPolarHBondContact O-CB 3.33Å; E927-K931 VanDerWaalsContact O-CD 3.31Å; E927-K931 WeakPolarHBondContact O-CD 3.35Å; E927-K931 VanDerWaalsContact O-CG 3.23Å; E927-K931 WeakPolarHBondContact O-CG 3.42Å; E927-K931 PolarHBondContact O-N 3Å; E927-K931 IonicContact OE2-NZ 2.73Å; E927-K931 PolarHBondContact OE2-NZ 3.26Å; V928-K931 PolarHBondContact O-N 2.91Å; K931-Q934 PolarHBondContact O-N 3.28Å; K931-E935 PolarHBondContact O-N 3.28Å
932C98.7Very high98.7Very high52 Ų52106.5 Ų106.535%0.35151%0.511SS..Hα-helixtrans-61.1-46.7175-670000112.3V928 L929 E935 Y936V928-C932 PolarHBondContact O-N 2.84Å; V928-C932 PolarHBondContact O-SG 3.17Å; L929-C932 PolarHBondContact O-N 2.86Å; C932-E935 PolarHBondContact O-N 3.3Å; C932-Y936 HydrophobicContact CB-CE2 4.48Å; C932-Y936 WeakPolarHBondContact O-CD2 3.5Å; C932-Y936 PolarHBondContact O-N 3.43Å
933A98.8Very high98.7Very high51 Ų51105.3 Ų105.342%0.42151%0.507SS..Hα-helixtrans-61.9-43.7177.400000112.1L929 K930 E935 Y936 L937L929-A933 WeakPolarHBondContact O-CB 3.34Å; L929-A933 PolarHBondContact O-N 3.42Å; K930-A933 PolarHBondContact O-N 3.47Å; A933-E935 VanDerWaalsContact C-N 3.3Å; A933-E935 PolarHBondContact O-N 3.18Å; A933-Y936 PolarHBondContact O-N 3.37Å; A933-L937 WeakPolarHBondContact O-CG 3.33Å; A933-L937 PolarHBondContact O-N 2.69Å
934Q98.8Very high98.7Very high130 Ų130105.9 Ų105.961%0.60752%0.515SS*.Hα-helixtrans-62.2-36.9174.7-172.9179.112.100112.1K930 K931 S938K930-Q934 WeakPolarHBondContact O-CB 3.32Å; K930-Q934 PolarHBondContact O-N 3.43Å; K931-Q934 PolarHBondContact O-N 3.28Å; Q934-S938 WeakPolarHBondContact O-CB 3.09Å; Q934-S938 PolarHBondContact O-N 2.74Å; Q934-S938 PolarHBondContact O-OG 3.07Å
935E98.7Very high98.7Very high98 Ų98106.5 Ų106.546%0.45852%0.519SS..Hα-helixtrans-67.8-43.9175.1-156.1-163.9152.300111.8K931 C932 A933 L937 S938 R939K931-E935 PolarHBondContact O-N 3.28Å; C932-E935 PolarHBondContact O-N 3.3Å; A933-E935 VanDerWaalsContact C-N 3.3Å; A933-E935 PolarHBondContact O-N 3.18Å; E935-L937 PolarHBondContact O-N 3.41Å; E935-S938 CarbonylContact O-C 3.6Å; E935-S938 WeakPolarHBondContact O-CA 3.42Å; E935-S938 WeakPolarHBondContact O-CB 3.33Å; E935-S938 PolarHBondContact O-N 3.11Å; E935-S938 VanDerWaalsContact O-N 3.11Å; E935-R939 WeakPolarHBondContact O-CG 3.48Å; E935-R939 PolarHBondContact O-N 2.95Å; E935-R939 IonicContact OE1-CZ 3.81Å; E935-R939 IonicContact OE1-NE 2.6Å; E935-R939 PolarHBondContact OE1-NE 3.1Å; E935-R939 IonicContact OE1-NH2 3.98Å; E935-R939 PolarHBondContact OE1-NH2 2.99Å; E935-R939 IonicContact OE2-NH2 2.6Å
936Y98.8Very high98.7Very high153 Ų153110.3 Ų110.360%0.653%0.527SS*.Hα-helixtrans-59.4-45.7174.7-72.2-58.8000112.1C932 A933 S938 R939 V940C932-Y936 HydrophobicContact CB-CE2 4.48Å; C932-Y936 WeakPolarHBondContact O-CD2 3.5Å; C932-Y936 PolarHBondContact O-N 3.43Å; A933-Y936 PolarHBondContact O-N 3.37Å; Y936-S938 VanDerWaalsContact C-N 3.28Å; Y936-S938 PolarHBondContact O-N 3.15Å; Y936-R939 PolarHBondContact O-N 2.88Å; Y936-R939 VanDerWaalsContact O-N 3.17Å; Y936-V940 WeakPolarHBondContact O-CG2 3.27Å; Y936-V940 PolarHBondContact O-N 3.49Å
937L98.8Very high98.7Very high126 Ų126113.2 Ų113.266%0.6654%0.535SS*.Hα-helixtrans-58.8-40.1173.4-69.5170.8000111.9A933 E935 K941A933-L937 WeakPolarHBondContact O-CG 3.33Å; A933-L937 PolarHBondContact O-N 2.69Å; E935-L937 PolarHBondContact O-N 3.41Å; L937-K941 WeakPolarHBondContact O-CB 3.5Å; L937-K941 PolarHBondContact O-N 3.14Å
938S98.8Very high98.7Very high59 Ų59113.5 Ų113.541%0.41354%0.536SS..Hα-helixtrans-68.8-31.9177.3-58.40000113.1Q934 E935 Y936 K942Q934-S938 WeakPolarHBondContact O-CB 3.09Å; Q934-S938 PolarHBondContact O-N 2.74Å; Q934-S938 PolarHBondContact O-OG 3.07Å; E935-S938 CarbonylContact O-C 3.6Å; E935-S938 WeakPolarHBondContact O-CA 3.42Å; E935-S938 WeakPolarHBondContact O-CB 3.33Å; E935-S938 PolarHBondContact O-N 3.11Å; E935-S938 VanDerWaalsContact O-N 3.11Å; Y936-S938 VanDerWaalsContact C-N 3.28Å; Y936-S938 PolarHBondContact O-N 3.15Å; S938-K942 WeakPolarHBondContact O-CG 3.46Å; S938-K942 PolarHBondContact O-N 3.4Å
939R98.8Very high98.7Very high142 Ų142112.7 Ų112.754%0.53654%0.539SS..Hα-helixtrans-72.5-48.1173.7-70.8171.2179.2-149.57.8110.9E935 Y936 K941 K942 E943E935-R939 WeakPolarHBondContact O-CG 3.48Å; E935-R939 PolarHBondContact O-N 2.95Å; E935-R939 IonicContact OE1-CZ 3.81Å; E935-R939 IonicContact OE1-NE 2.6Å; E935-R939 PolarHBondContact OE1-NE 3.1Å; E935-R939 IonicContact OE1-NH2 3.98Å; E935-R939 PolarHBondContact OE1-NH2 2.99Å; E935-R939 IonicContact OE2-NH2 2.6Å; Y936-R939 PolarHBondContact O-N 2.88Å; Y936-R939 VanDerWaalsContact O-N 3.17Å; R939-K941 PolarHBondContact O-N 2.98Å; R939-K942 PolarHBondContact O-N 3.47Å; R939-E943 PolarHBondContact O-N 3.32Å; R939-E943 VanDerWaalsContact O-N 3.07Å
940V98.8Very high98.7Very high99 Ų99113.1 Ų113.160%0.654%0.541SS*.Hα-helixtrans-56.8-48.2176.8170.10000110.9Y936 K942 E943 E944Y936-V940 WeakPolarHBondContact O-CG2 3.27Å; Y936-V940 PolarHBondContact O-N 3.49Å; V940-K942 VanDerWaalsContact C-N 3.29Å; V940-K942 PolarHBondContact O-N 3.42Å; V940-E943 PolarHBondContact O-N 3.43Å; V940-E943 VanDerWaalsContact O-N 3.15Å; V940-E944 WeakPolarHBondContact O-CB 3.36Å; V940-E944 PolarHBondContact O-N 2.93Å
941K98.8Very high98.7Very high131 Ų131111 Ų11157%0.5753%0.532SS*.Hα-helixtrans-61.7-33.3178.8-173168.2-175.6168.90113.7L937 R939 Q945L937-K941 WeakPolarHBondContact O-CB 3.5Å; L937-K941 PolarHBondContact O-N 3.14Å; R939-K941 PolarHBondContact O-N 2.98Å; K941-Q945 WeakPolarHBondContact O-CB 3.39Å; K941-Q945 VanDerWaalsContact O-CG 3.27Å; K941-Q945 WeakPolarHBondContact O-CG 3.41Å; K941-Q945 PolarHBondContact O-N 3.45Å; K941-Q945 VanDerWaalsContact O-N 3.1Å
942K98.8Very high98.7Very high146 Ų146108.2 Ų108.264%0.63552%0.524SS*.Hα-helixtrans-70.4-40.5174.5-75.9173.6179.7-178.80112S938 R939 V940 Q945 R946S938-K942 WeakPolarHBondContact O-CG 3.46Å; S938-K942 PolarHBondContact O-N 3.4Å; R939-K942 PolarHBondContact O-N 3.47Å; V940-K942 VanDerWaalsContact C-N 3.29Å; V940-K942 PolarHBondContact O-N 3.42Å; K942-Q945 PolarHBondContact O-N 2.85Å; K942-R946 WeakPolarHBondContact O-CB 3.36Å; K942-R946 PolarHBondContact O-N 2.91Å
943E98.4Very high98.7Very high106 Ų106110.5 Ų110.550%0.49553%0.529SS..Hα-helixtrans-74.5-32.5179.3-160.558.9-152.100111.8R939 V940 R946 Y947R939-E943 PolarHBondContact O-N 3.32Å; R939-E943 VanDerWaalsContact O-N 3.07Å; V940-E943 PolarHBondContact O-N 3.43Å; V940-E943 VanDerWaalsContact O-N 3.15Å; E943-R946 WeakPolarHBondContact O-CB 3.49Å; E943-R946 PolarHBondContact O-N 3.08Å; E943-R946 WeakPolarHBondContact OE1-CD 3.4Å; E943-R946 IonicContact OE1-NH1 3.15Å; E943-R946 WeakPolarHBondContact OE2-CD 3.38Å; E943-R946 IonicContact OE2-NH1 2.75Å; E943-Y947 WeakPolarHBondContact O-CB 3.48Å; E943-Y947 PolarHBondContact O-N 3.37Å
944E98.6Very high98.7Very high127 Ų127110.7 Ų110.759%0.59353%0.531SS*.Hα-helixtrans-59.5-47.6167.6178.2-178.8-131.400111.7V940 R946 Y947 Q948V940-E944 WeakPolarHBondContact O-CB 3.36Å; V940-E944 PolarHBondContact O-N 2.93Å; E944-R946 VanDerWaalsContact C-N 3.32Å; E944-R946 PolarHBondContact O-N 3.27Å; E944-Y947 PolarHBondContact O-N 2.81Å; E944-Q948 WeakPolarHBondContact O-CB 3.43Å; E944-Q948 PolarHBondContact O-N 3.27Å
945Q98.8Very high98.7Very high123 Ų123108.7 Ų108.758%0.57552%0.521SS*.Hα-helixtrans-60.7-40.1173.9-76.1176.3-25.100112.1K941 K942 Q948 A949K941-Q945 WeakPolarHBondContact O-CB 3.39Å; K941-Q945 VanDerWaalsContact O-CG 3.27Å; K941-Q945 WeakPolarHBondContact O-CG 3.41Å; K941-Q945 PolarHBondContact O-N 3.45Å; K941-Q945 VanDerWaalsContact O-N 3.1Å; K942-Q945 PolarHBondContact O-N 2.85Å; Q945-Q948 PolarHBondContact O-N 2.85Å; Q945-A949 WeakPolarHBondContact O-CB 3.48Å; Q945-A949 PolarHBondContact O-N 3.24Å
946R98.6Very high98.7Very high168 Ų168108.5 Ų108.563%0.63452%0.52SS*.Hα-helixtrans-65.4-43.9176.3-169.8-173.9-170.9172.31.8112.1K942 E943 E944 A949 L950K942-R946 WeakPolarHBondContact O-CB 3.36Å; K942-R946 PolarHBondContact O-N 2.91Å; E943-R946 WeakPolarHBondContact O-CB 3.49Å; E943-R946 PolarHBondContact O-N 3.08Å; E943-R946 WeakPolarHBondContact OE1-CD 3.4Å; E943-R946 IonicContact OE1-NH1 3.15Å; E943-R946 WeakPolarHBondContact OE2-CD 3.38Å; E943-R946 IonicContact OE2-NH1 2.75Å; E944-R946 VanDerWaalsContact C-N 3.32Å; E944-R946 PolarHBondContact O-N 3.27Å; R946-A949 PolarHBondContact O-N 3.34Å; R946-L950 WeakPolarHBondContact O-CB 3.38Å; R946-L950 PolarHBondContact O-N 3.04Å
947Y98.8Very high98.7Very high154 Ų154107.5 Ų107.560%0.60452%0.519SS*.Hα-helixtrans-60.3-47.2175171.8-98000111E943 E944 A949 L950 K951E943-Y947 WeakPolarHBondContact O-CB 3.48Å; E943-Y947 PolarHBondContact O-N 3.37Å; E944-Y947 PolarHBondContact O-N 2.81Å; Y947-A949 PolarHBondContact O-N 2.86Å; Y947-L950 PolarHBondContact O-N 3.46Å; Y947-K951 HydrophobicContact CE1-CD 4.36Å; Y947-K951 VanDerWaalsContact O-CB 3.28Å; Y947-K951 WeakPolarHBondContact O-CB 3.38Å; Y947-K951 PolarHBondContact O-N 2.98Å
948Q98.8Very high98.7Very high93 Ų93106.5 Ų106.544%0.43551%0.514SS..Hα-helixtrans-64.1-39.2178.9-177.957.82600112.1E944 Q945 K951 V952E944-Q948 WeakPolarHBondContact O-CB 3.43Å; E944-Q948 PolarHBondContact O-N 3.27Å; Q945-Q948 PolarHBondContact O-N 2.85Å; Q948-K951 PolarHBondContact O-N 3.48Å; Q948-V952 WeakPolarHBondContact O-CG2 3.35Å; Q948-V952 PolarHBondContact O-N 3.06Å
949A98.8Very high98.7Very high64 Ų64108.4 Ų108.453%0.52952%0.52SS..Hα-helixtrans-65.3-42.4174.200000112.5Q945 R946 Y947 H953Q945-A949 WeakPolarHBondContact O-CB 3.48Å; Q945-A949 PolarHBondContact O-N 3.24Å; R946-A949 PolarHBondContact O-N 3.34Å; Y947-A949 PolarHBondContact O-N 2.86Å; A949-H953 WeakPolarHBondContact O-CB 3.38Å; A949-H953 PolarHBondContact O-N 3.22Å; A949-H953 VanDerWaalsContact O-N 3.08Å
950L98.8Very high98.7Very high115 Ų115107.9 Ų107.960%0.60252%0.517SS*.Hα-helixtrans-65.5-39.3176.2179.360.2000111.9R946 Y947 H953 A954R946-L950 WeakPolarHBondContact O-CB 3.38Å; R946-L950 PolarHBondContact O-N 3.04Å; Y947-L950 PolarHBondContact O-N 3.46Å; L950-H953 PolarHBondContact O-N 2.92Å; L950-A954 WeakPolarHBondContact O-CB 3.49Å; L950-A954 PolarHBondContact O-N 3.3Å
951K98.8Very high98.7Very high79 Ų79105.2 Ų105.234%0.34351%0.506SS..Hα-helixtrans-59.8-53.8175.3176.7-176.3166-174.70111Y947 Q948 H953 A954 E955Y947-K951 HydrophobicContact CE1-CD 4.36Å; Y947-K951 VanDerWaalsContact O-CB 3.28Å; Y947-K951 WeakPolarHBondContact O-CB 3.38Å; Y947-K951 PolarHBondContact O-N 2.98Å; Q948-K951 PolarHBondContact O-N 3.48Å; K951-H953 VanDerWaalsContact C-N 3.33Å; K951-H953 PolarHBondContact O-N 3.25Å; K951-A954 WeakPolarHBondContact O-CB 3.28Å; K951-A954 PolarHBondContact O-N 3.18Å; K951-E955 VanDerWaalsContact CE-CD 3.5Å; K951-E955 WeakPolarHBondContact CE-OE1 3.39Å; K951-E955 HydrophobicContact CG-CG 4.42Å; K951-E955 IonicContact NZ-OE1 2.63Å; K951-E955 WeakPolarHBondContact O-CG 3.48Å; K951-E955 PolarHBondContact O-N 2.88Å
952V98.8Very high98.6Very high56 Ų56102.9 Ų102.934%0.33950%0.5SS..Hα-helixtrans-58.1-45178.5171.40000111.1Q948 A954 E955 E956Q948-V952 WeakPolarHBondContact O-CG2 3.35Å; Q948-V952 PolarHBondContact O-N 3.06Å; V952-A954 VanDerWaalsContact C-N 3.3Å; V952-A954 PolarHBondContact O-N 2.82Å; V952-E955 PolarHBondContact O-N 2.98Å; V952-E956 HydrophobicContact CG1-CG 4.37Å; V952-E956 WeakPolarHBondContact O-CG 2.83Å; V952-E956 PolarHBondContact O-N 3.39Å
953H98.6Very high98.6Very high101 Ų10198.9 Ų98.947%0.46849%0.494SS..Hα-helixtrans-62.8-33.3176.8174.2-108000113.4A949 L950 K951 K957A949-H953 WeakPolarHBondContact O-CB 3.38Å; A949-H953 PolarHBondContact O-N 3.22Å; A949-H953 VanDerWaalsContact O-N 3.08Å; L950-H953 PolarHBondContact O-N 2.92Å; K951-H953 VanDerWaalsContact C-N 3.33Å; K951-H953 PolarHBondContact O-N 3.25Å; H953-K957 WeakPolarHBondContact O-CB 3.43Å; H953-K957 PolarHBondContact O-N 2.98Å
954A98.6Very high98.6Very high54 Ų54100.1 Ų100.145%0.44650%0.5SS..Hα-helixtrans-72-42.2174.300000112.1L950 K951 V952 K957 L958L950-A954 WeakPolarHBondContact O-CB 3.49Å; L950-A954 PolarHBondContact O-N 3.3Å; K951-A954 WeakPolarHBondContact O-CB 3.28Å; K951-A954 PolarHBondContact O-N 3.18Å; V952-A954 VanDerWaalsContact C-N 3.3Å; V952-A954 PolarHBondContact O-N 2.82Å; A954-K957 PolarHBondContact O-N 2.88Å; A954-L958 WeakPolarHBondContact O-CB 3.31Å; A954-L958 PolarHBondContact O-N 3.26Å
955E98.4Very high98.6Very high88 Ų8897.8 Ų97.841%0.41149%0.49SS..Hα-helixtrans-60.7-51.1175.1-71169.9154.800110.5K951 V952 K957 L958 D959K951-E955 VanDerWaalsContact CE-CD 3.5Å; K951-E955 WeakPolarHBondContact CE-OE1 3.39Å; K951-E955 HydrophobicContact CG-CG 4.42Å; K951-E955 IonicContact NZ-OE1 2.63Å; K951-E955 WeakPolarHBondContact O-CG 3.48Å; K951-E955 PolarHBondContact O-N 2.88Å; V952-E955 PolarHBondContact O-N 2.98Å; E955-K957 VanDerWaalsContact C-N 3.28Å; E955-K957 PolarHBondContact O-N 3.35Å; E955-L958 WeakPolarHBondContact O-CB 3.36Å; E955-L958 PolarHBondContact O-N 3.15Å; E955-L958 VanDerWaalsContact O-N 3.15Å; E955-D959 PolarHBondContact O-N 3.08Å
956E98.6Very high98.6Very high94 Ų9494.8 Ų94.844%0.43949%0.487SS..Hα-helixtrans-56.5-38.8174.4-72.8178.8-164.100113.5V952 R960V952-E956 HydrophobicContact CG1-CG 4.37Å; V952-E956 WeakPolarHBondContact O-CG 2.83Å; V952-E956 PolarHBondContact O-N 3.39Å; E956-R960 VanDerWaalsContact CB-NH2 3.35Å; E956-R960 WeakPolarHBondContact O-CB 3.43Å; E956-R960 VanDerWaalsContact O-CG 3.31Å; E956-R960 WeakPolarHBondContact O-CG 3.45Å; E956-R960 PolarHBondContact O-N 3.02Å; E956-R960 PolarHBondContact O-NE 2.91Å; E956-R960 IonicContact OE2-CZ 2.74Å; E956-R960 IonicContact OE2-NH2 3.26Å; E956-R960 PolarHBondContact OE2-NH2 3.41Å
957K98.6Very high98.6Very high133 Ų13392 Ų9258%0.57848%0.481SS*.Hα-helixtrans-71.9-35.9-179.2-172.5175.1-179.8179.70111.2H953 A954 E955 A961H953-K957 WeakPolarHBondContact O-CB 3.43Å; H953-K957 PolarHBondContact O-N 2.98Å; A954-K957 PolarHBondContact O-N 2.88Å; E955-K957 VanDerWaalsContact C-N 3.28Å; E955-K957 PolarHBondContact O-N 3.35Å; K957-A961 WeakPolarHBondContact O-CB 3.48Å; K957-A961 PolarHBondContact O-N 2.6Å; K957-A961 VanDerWaalsContact O-N 3.08Å
958L98.6Very high98.6Very high104 Ų10488.6 Ų88.655%0.54548%0.476SS..Hα-helixtrans-66.5-43.6172.7177.4142.9000111A954 E955 A961 N962A954-L958 WeakPolarHBondContact O-CB 3.31Å; A954-L958 PolarHBondContact O-N 3.26Å; E955-L958 WeakPolarHBondContact O-CB 3.36Å; E955-L958 PolarHBondContact O-N 3.15Å; E955-L958 VanDerWaalsContact O-N 3.15Å; L958-A961 PolarHBondContact O-N 3.41Å; L958-N962 VanDerWaalsContact CD2-ND2 3.26Å; L958-N962 WeakPolarHBondContact CD2-ND2 3.26Å; L958-N962 WeakPolarHBondContact O-CB 3.5Å; L958-N962 VanDerWaalsContact O-CG 3.26Å; L958-N962 PolarHBondContact O-N 3.3Å; L958-N962 PolarHBondContact O-ND2 3.09Å
959D98.6Very high98.6Very high100 Ų10092.3 Ų92.354%0.53549%0.486SS..Hα-helixtrans-66.1-40.3176.6-76.4-20.6000112.7E955 A961 N962 A963E955-D959 PolarHBondContact O-N 3.08Å; D959-A961 PolarHBondContact O-N 3.48Å; D959-N962 PolarHBondContact O-N 3.34Å; D959-A963 WeakPolarHBondContact O-CB 3.47Å; D959-A963 PolarHBondContact O-N 2.86Å
960R98.5Very high98.6Very high130 Ų13090.9 Ų90.949%0.49148%0.478SS..Hα-helixtrans-59.9-44.5172.4-79.4178.6-94.2126.2-11.3111.9E956 A963 E964E956-R960 VanDerWaalsContact CB-NH2 3.35Å; E956-R960 WeakPolarHBondContact O-CB 3.43Å; E956-R960 VanDerWaalsContact O-CG 3.31Å; E956-R960 WeakPolarHBondContact O-CG 3.45Å; E956-R960 PolarHBondContact O-N 3.02Å; E956-R960 PolarHBondContact O-NE 2.91Å; E956-R960 IonicContact OE2-CZ 2.74Å; E956-R960 IonicContact OE2-NH2 3.26Å; E956-R960 PolarHBondContact OE2-NH2 3.41Å; R960-A963 PolarHBondContact O-N 2.91Å; R960-E964 PolarHBondContact O-N 2.85Å
961A98.6Very high98.5Very high43 Ų4390.3 Ų90.336%0.35547%0.47SS..Hα-helixtrans-66-39.8175.800000112.5K957 L958 D959 E964 I965K957-A961 WeakPolarHBondContact O-CB 3.48Å; K957-A961 PolarHBondContact O-N 2.6Å; K957-A961 VanDerWaalsContact O-N 3.08Å; L958-A961 PolarHBondContact O-N 3.41Å; D959-A961 PolarHBondContact O-N 3.48Å; A961-E964 PolarHBondContact O-N 2.92Å; A961-I965 WeakPolarHBondContact O-CB 3.46Å; A961-I965 WeakPolarHBondContact O-CD1 3.43Å; A961-I965 VanDerWaalsContact O-CG1 3.26Å; A961-I965 WeakPolarHBondContact O-CG1 3.38Å; A961-I965 PolarHBondContact O-N 2.87Å
962N98.5Very high98.5Very high83 Ų8389 Ų8944%0.44447%0.474SS..Hα-helixtrans-63.2-41.4175.2-75.3-29.7000112L958 D959 I965 A966L958-N962 VanDerWaalsContact CD2-ND2 3.26Å; L958-N962 WeakPolarHBondContact CD2-ND2 3.26Å; L958-N962 WeakPolarHBondContact O-CB 3.5Å; L958-N962 VanDerWaalsContact O-CG 3.26Å; L958-N962 PolarHBondContact O-N 3.3Å; L958-N962 PolarHBondContact O-ND2 3.09Å; D959-N962 PolarHBondContact O-N 3.34Å; N962-I965 PolarHBondContact O-N 3.49Å; N962-A966 WeakPolarHBondContact O-CB 3.4Å; N962-A966 PolarHBondContact O-N 3.31Å
963A98.6Very high98.5Very high62 Ų6292.6 Ų92.651%0.51249%0.487SS..Hα-helixtrans-65.1-39.5175.700000112.1D959 R960 A966 Q967D959-A963 WeakPolarHBondContact O-CB 3.47Å; D959-A963 PolarHBondContact O-N 2.86Å; R960-A963 PolarHBondContact O-N 2.91Å; A963-A966 PolarHBondContact O-N 3.31Å; A963-Q967 WeakPolarHBondContact O-CB 3.26Å; A963-Q967 PolarHBondContact O-N 3.27Å
964E98.6Very high98.5Very high131 Ų13194.9 Ų94.961%0.61250%0.498SS*.Hα-helixtrans-64.4-47.2173.6-174.5173.9-170.800111.6R960 A961 A966 Q967 V968R960-E964 PolarHBondContact O-N 2.85Å; A961-E964 PolarHBondContact O-N 2.92Å; E964-A966 VanDerWaalsContact C-N 3.29Å; E964-A966 PolarHBondContact O-N 3.11Å; E964-Q967 PolarHBondContact O-N 3.36Å; E964-Q967 VanDerWaalsContact O-N 3.11Å; E964-V968 WeakPolarHBondContact O-CG2 3.23Å; E964-V968 PolarHBondContact O-N 2.93Å
965I98.3Very high98.4Very high78 Ų7897.5 Ų97.540%0.450%0.501SS..Hα-helixtrans-58.3-41.7174.9-70.6164.5000111.1A961 N962 R969A961-I965 WeakPolarHBondContact O-CB 3.46Å; A961-I965 WeakPolarHBondContact O-CD1 3.43Å; A961-I965 VanDerWaalsContact O-CG1 3.26Å; A961-I965 WeakPolarHBondContact O-CG1 3.38Å; A961-I965 PolarHBondContact O-N 2.87Å; N962-I965 PolarHBondContact O-N 3.49Å; I965-R969 WeakPolarHBondContact O-CB 3.39Å; I965-R969 VanDerWaalsContact O-CG 3.23Å; I965-R969 WeakPolarHBondContact O-CG 3.37Å; I965-R969 PolarHBondContact O-N 2.87Å
966A98.6Very high98.4Very high60 Ų6099.5 Ų99.550%0.49651%0.511SS..Hα-helixtrans-64.4-42.1175.100000111.9N962 A963 E964 R969 G970N962-A966 WeakPolarHBondContact O-CB 3.4Å; N962-A966 PolarHBondContact O-N 3.31Å; A963-A966 PolarHBondContact O-N 3.31Å; E964-A966 VanDerWaalsContact C-N 3.29Å; E964-A966 PolarHBondContact O-N 3.11Å; A966-R969 PolarHBondContact O-N 3.46Å; A966-G970 PolarHBondContact O-N 2.91Å
967Q98.5Very high98.4Very high111 Ų11197.9 Ų97.952%0.51951%0.513SS..Hα-helixtrans-64.9-44.1177-166.1-163.18900112A963 E964 G970 K971A963-Q967 WeakPolarHBondContact O-CB 3.26Å; A963-Q967 PolarHBondContact O-N 3.27Å; E964-Q967 PolarHBondContact O-N 3.36Å; E964-Q967 VanDerWaalsContact O-N 3.11Å; Q967-G970 PolarHBondContact O-N 2.89Å; Q967-K971 HydrophobicContact CG-CD 4.41Å; Q967-K971 WeakPolarHBondContact O-CG 3.47Å; Q967-K971 PolarHBondContact O-N 3.43Å
968V98.7Very high98.4Very high82 Ų8294.1 Ų94.150%0.49751%0.507SS..Hα-helixtrans-63.7-43.1177.2172.20000110.8E964 K971 A972E964-V968 WeakPolarHBondContact O-CG2 3.23Å; E964-V968 PolarHBondContact O-N 2.93Å; V968-K971 PolarHBondContact O-N 2.94Å; V968-A972 WeakPolarHBondContact O-CB 3.39Å; V968-A972 PolarHBondContact O-N 2.97Å
969R98.3Very high98.4Very high171 Ų17196.9 Ų96.965%0.64551%0.511SS*.Hα-helixtrans-61.5-42.7173.8-74.1171.4178.7177.81.7112.2I965 A966 A972 Q973I965-R969 WeakPolarHBondContact O-CB 3.39Å; I965-R969 VanDerWaalsContact O-CG 3.23Å; I965-R969 WeakPolarHBondContact O-CG 3.37Å; I965-R969 PolarHBondContact O-N 2.87Å; A966-R969 PolarHBondContact O-N 3.46Å; R969-A972 PolarHBondContact O-N 3.12Å; R969-Q973 WeakPolarHBondContact O-CB 3.37Å; R969-Q973 WeakPolarHBondContact O-CG 3.46Å; R969-Q973 PolarHBondContact O-N 2.94Å
970G98.3Very high98.3Very high34 Ų3496.9 Ų96.935%0.35151%0.508SS..Hα-helixtrans-62.3-45.4176.300000112.9A966 Q967 Q973 Q974A966-G970 PolarHBondContact O-N 2.91Å; Q967-G970 PolarHBondContact O-N 2.89Å; G970-Q973 PolarHBondContact O-N 3.41Å; G970-Q974 WeakPolarHBondContact O-CB 3.47Å; G970-Q974 PolarHBondContact O-N 2.87Å
971K98.3Very high98.3Very high102 Ų10293.3 Ų93.344%0.44351%0.506SS..Hα-helixtrans-59.1-49.8173.6-74.6167.7170.1173.20111.6Q967 V968 Q973 Q974 E975Q967-K971 HydrophobicContact CG-CD 4.41Å; Q967-K971 WeakPolarHBondContact O-CG 3.47Å; Q967-K971 PolarHBondContact O-N 3.43Å; V968-K971 PolarHBondContact O-N 2.94Å; K971-Q973 VanDerWaalsContact C-N 3.32Å; K971-Q973 PolarHBondContact O-N 3.36Å; K971-Q974 WeakPolarHBondContact O-CB 3.26Å; K971-Q974 PolarHBondContact O-N 3.06Å; K971-Q974 VanDerWaalsContact O-N 3.12Å; K971-E975 PolarHBondContact O-N 2.76Å
972A98.3Very high98.3Very high53 Ų5394.3 Ų94.344%0.43851%0.511SS..Hα-helixtrans-61.1-38178.800000112.7V968 R969 Q976V968-A972 WeakPolarHBondContact O-CB 3.39Å; V968-A972 PolarHBondContact O-N 2.97Å; R969-A972 PolarHBondContact O-N 3.12Å; A972-Q976 VanDerWaalsContact O-CB 3.26Å; A972-Q976 WeakPolarHBondContact O-CB 3.33Å; A972-Q976 PolarHBondContact O-N 3.37Å
973Q98.3Very high98.3Very high131 Ų13196.1 Ų96.161%0.61252%0.52SS*.Hα-helixtrans-67.4-39.6173.3-75.2176.9-8.900112.5R969 G970 K971 Q976 A977R969-Q973 WeakPolarHBondContact O-CB 3.37Å; R969-Q973 WeakPolarHBondContact O-CG 3.46Å; R969-Q973 PolarHBondContact O-N 2.94Å; G970-Q973 PolarHBondContact O-N 3.41Å; K971-Q973 VanDerWaalsContact C-N 3.32Å; K971-Q973 PolarHBondContact O-N 3.36Å; Q973-Q976 PolarHBondContact O-N 3.42Å; Q973-A977 WeakPolarHBondContact O-CB 3.48Å; Q973-A977 PolarHBondContact O-N 2.92Å
974Q98.3Very high98.2Very high148 Ų14899.7 Ų99.769%0.69252%0.52SS*.Hα-helixtrans-64.2-44175.5-174.9179.1500111.5G970 K971 A977 A978G970-Q974 WeakPolarHBondContact O-CB 3.47Å; G970-Q974 PolarHBondContact O-N 2.87Å; K971-Q974 WeakPolarHBondContact O-CB 3.26Å; K971-Q974 PolarHBondContact O-N 3.06Å; K971-Q974 VanDerWaalsContact O-N 3.12Å; Q974-A977 PolarHBondContact O-N 3.46Å; Q974-A978 WeakPolarHBondContact O-CB 3.48Å; Q974-A978 PolarHBondContact O-N 3.39Å
975E97.9Very high98.2Very high110 Ų11099.9 Ų99.951%0.51452%0.519SS..Hα-helixtrans-63.4-46.4173.7-73.3177.6-155.600111.5K971 A977 A978 Y979K971-E975 PolarHBondContact O-N 2.76Å; E975-A977 VanDerWaalsContact C-N 3.29Å; E975-A977 PolarHBondContact O-N 3.07Å; E975-A978 WeakPolarHBondContact O-CB 3.4Å; E975-A978 PolarHBondContact O-N 2.92Å; E975-A978 VanDerWaalsContact O-N 3.07Å; E975-Y979 HydrophobicContact CB-CD2 4.36Å; E975-Y979 HydrophobicContact CB-CE2 4.07Å; E975-Y979 WeakPolarHBondContact O-CD2 3.3Å; E975-Y979 PolarHBondContact O-N 2.9Å
976Q97.8Very high98.2Very high130 Ų130100 Ų10061%0.60752%0.518SS*.Hα-helixtrans-57.1-42.1175.6-172.2-178.220.900111.7A972 Q973 Q980A972-Q976 VanDerWaalsContact O-CB 3.26Å; A972-Q976 WeakPolarHBondContact O-CB 3.33Å; A972-Q976 PolarHBondContact O-N 3.37Å; Q973-Q976 PolarHBondContact O-N 3.42Å; Q976-Q980 VanDerWaalsContact O-CB 3.3Å; Q976-Q980 WeakPolarHBondContact O-CB 3.35Å; Q976-Q980 PolarHBondContact O-N 2.82Å
977A98.2Very high98.1Very high59 Ų59101.9 Ų101.949%0.48852%0.516SS..Hα-helixtrans-65.1-40.9174.800000112.2Q973 Q974 E975 Q980 A981Q973-A977 WeakPolarHBondContact O-CB 3.48Å; Q973-A977 PolarHBondContact O-N 2.92Å; Q974-A977 PolarHBondContact O-N 3.46Å; E975-A977 VanDerWaalsContact C-N 3.29Å; E975-A977 PolarHBondContact O-N 3.07Å; A977-Q980 PolarHBondContact O-N 2.95Å; A977-A981 WeakPolarHBondContact O-CB 3.36Å; A977-A981 PolarHBondContact O-N 2.97Å
978A98.4Very high98.1Very high54 Ų54102 Ų10245%0.44652%0.519SS..Hα-helixtrans-65.5-41.8176.300000112.6Q974 E975 A981 S982Q974-A978 WeakPolarHBondContact O-CB 3.48Å; Q974-A978 PolarHBondContact O-N 3.39Å; E975-A978 WeakPolarHBondContact O-CB 3.4Å; E975-A978 PolarHBondContact O-N 2.92Å; E975-A978 VanDerWaalsContact O-N 3.07Å; A978-A981 PolarHBondContact O-N 3.33Å; A978-S982 WeakPolarHBondContact O-CB 3.06Å; A978-S982 PolarHBondContact O-N 3.43Å; A978-S982 PolarHBondContact O-OG 3.36Å
979Y98.3Very high98.1Very high162 Ų162105.3 Ų105.364%0.63552%0.523SS*.Hα-helixtrans-64.2-43.2172.3-70.1-58.2000111.4E975 A981 S982 L983E975-Y979 HydrophobicContact CB-CD2 4.36Å; E975-Y979 HydrophobicContact CB-CE2 4.07Å; E975-Y979 WeakPolarHBondContact O-CD2 3.3Å; E975-Y979 PolarHBondContact O-N 2.9Å; Y979-A981 VanDerWaalsContact C-N 3.34Å; Y979-A981 PolarHBondContact O-N 3.34Å; Y979-S982 PolarHBondContact O-N 3.45Å; Y979-L983 WeakPolarHBondContact O-CB 3.41Å; Y979-L983 PolarHBondContact O-N 2.82Å
980Q98.3Very high98.1Very high100 Ų100100.2 Ų100.247%0.46751%0.511SS..Hα-helixtrans-67.9-32.3178.7-155.8-1646500112.5Q976 A977 R984Q976-Q980 VanDerWaalsContact O-CB 3.3Å; Q976-Q980 WeakPolarHBondContact O-CB 3.35Å; Q976-Q980 PolarHBondContact O-N 2.82Å; A977-Q980 PolarHBondContact O-N 2.95Å; Q980-R984 VanDerWaalsContact CD-NH2 3.34Å; Q980-R984 WeakPolarHBondContact O-CG 3.45Å; Q980-R984 PolarHBondContact O-N 2.96Å; Q980-R984 PolarHBondContact O-NH1 3.21Å; Q980-R984 VanDerWaalsContact OE1-CZ 3.23Å
981A98.2Very high98Very high55 Ų55100.8 Ų100.846%0.45551%0.506SS..Hα-helixtrans-69.5-42.5170.900000111.8A977 A978 Y979 R984 K985A977-A981 WeakPolarHBondContact O-CB 3.36Å; A977-A981 PolarHBondContact O-N 2.97Å; A978-A981 PolarHBondContact O-N 3.33Å; Y979-A981 VanDerWaalsContact C-N 3.34Å; Y979-A981 PolarHBondContact O-N 3.34Å; A981-R984 PolarHBondContact O-N 3.24Å; A981-K985 PolarHBondContact O-N 2.87Å
982S97.7Very high98Very high65 Ų6597.6 Ų97.646%0.45550%0.499SS..Hα-helixtrans-64.6-41.5177.2-58.50000112A978 Y979 K985 E986A978-S982 WeakPolarHBondContact O-CB 3.06Å; A978-S982 PolarHBondContact O-N 3.43Å; A978-S982 PolarHBondContact O-OG 3.36Å; Y979-S982 PolarHBondContact O-N 3.45Å; S982-K985 WeakPolarHBondContact O-CB 3.36Å; S982-K985 PolarHBondContact O-N 3.24Å; S982-E986 PolarHBondContact O-N 3.31Å
983L98.1Very high98Very high120 Ų12099.9 Ų99.963%0.62850%0.503SS*.Hα-helixtrans-60-45.7174179.661.8000111.6Y979 K985 E986 Q987Y979-L983 WeakPolarHBondContact O-CB 3.41Å; Y979-L983 PolarHBondContact O-N 2.82Å; L983-K985 VanDerWaalsContact C-N 3.34Å; L983-K985 PolarHBondContact O-N 3.12Å; L983-E986 PolarHBondContact O-N 3.13Å; L983-Q987 WeakPolarHBondContact O-CB 3.29Å; L983-Q987 PolarHBondContact O-N 3.2Å
984R97.9Very high97.9Very high138 Ų13898.5 Ų98.552%0.52150%0.497SS..Hα-helixtrans-62.6-38.7174.6-72.7-175.5-170.596.2-5.4112.5Q980 A981 L988Q980-R984 VanDerWaalsContact CD-NH2 3.34Å; Q980-R984 WeakPolarHBondContact O-CG 3.45Å; Q980-R984 PolarHBondContact O-N 2.96Å; Q980-R984 PolarHBondContact O-NH1 3.21Å; Q980-R984 VanDerWaalsContact OE1-CZ 3.23Å; A981-R984 PolarHBondContact O-N 3.24Å; R984-L988 WeakPolarHBondContact O-CB 3.37Å; R984-L988 VanDerWaalsContact O-CG 3.29Å; R984-L988 WeakPolarHBondContact O-CG 3.04Å; R984-L988 PolarHBondContact O-N 2.98Å
985K98.1Very high97.9Very high135 Ų13598 Ų9859%0.58749%0.489SS*.Hα-helixtrans-62.5-45.6176.8172.6177.5166.5-82.90111.8A981 S982 L983 R989A981-K985 PolarHBondContact O-N 2.87Å; S982-K985 WeakPolarHBondContact O-CB 3.36Å; S982-K985 PolarHBondContact O-N 3.24Å; L983-K985 VanDerWaalsContact C-N 3.34Å; L983-K985 PolarHBondContact O-N 3.12Å; K985-R989 PolarHBondContact O-N 3.39Å; K985-R989 VanDerWaalsContact O-N 3.12Å
986E97.3Very high97.8Very high81 Ų8196.5 Ų96.538%0.37949%0.487SS..Hα-helixtrans-75.6-31.4178.9-61.6-50.5130.300112.4S982 L983 R989 V990S982-E986 PolarHBondContact O-N 3.31Å; L983-E986 PolarHBondContact O-N 3.13Å; E986-R989 WeakPolarHBondContact O-CB 3.46Å; E986-R989 PolarHBondContact O-N 3.46Å; E986-R989 WeakPolarHBondContact OE2-CD 3.39Å; E986-R989 IonicContact OE2-NE 2.72Å; E986-V990 WeakPolarHBondContact O-CG2 3.42Å; E986-V990 PolarHBondContact O-N 2.87Å
987Q97.8Very high97.8Very high99 Ų9995.1 Ų95.146%0.46348%0.483SS..Hα-helixtrans-59.3-51.7168.8-173.163.85800110.9L983 R989 V990 D991L983-Q987 WeakPolarHBondContact O-CB 3.29Å; L983-Q987 PolarHBondContact O-N 3.2Å; Q987-R989 PolarHBondContact O-N 2.89Å; Q987-R989 VanDerWaalsContact O-N 3.13Å; Q987-V990 CarbonylContact O-C 3.57Å; Q987-V990 WeakPolarHBondContact O-CA 3.44Å; Q987-V990 WeakPolarHBondContact O-CB 3.28Å; Q987-V990 PolarHBondContact O-N 2.99Å; Q987-D991 PolarHBondContact NE2-OD1 2.71Å; Q987-D991 PolarHBondContact O-N 2.96Å
988L98.1Very high97.7Very high112 Ų11297.1 Ų97.159%0.58648%0.482SS*.Hα-helixtrans-60.2-26.6176.9-71.4170.1000113.2R984 A992R984-L988 WeakPolarHBondContact O-CB 3.37Å; R984-L988 VanDerWaalsContact O-CG 3.29Å; R984-L988 WeakPolarHBondContact O-CG 3.04Å; R984-L988 PolarHBondContact O-N 2.98Å; L988-A992 VanDerWaalsContact O-CB 3.28Å; L988-A992 WeakPolarHBondContact O-CB 3.4Å; L988-A992 PolarHBondContact O-N 3.35Å
989R98.1Very high97.6Very high153 Ų15399.9 Ų99.958%0.57749%0.486SS*.Hα-helixtrans-72.1-44.5171.4-177.2-166.9175.485.10.7111.4K985 E986 Q987 A992 L993K985-R989 PolarHBondContact O-N 3.39Å; K985-R989 VanDerWaalsContact O-N 3.12Å; E986-R989 WeakPolarHBondContact O-CB 3.46Å; E986-R989 PolarHBondContact O-N 3.46Å; E986-R989 WeakPolarHBondContact OE2-CD 3.39Å; E986-R989 IonicContact OE2-NE 2.72Å; Q987-R989 PolarHBondContact O-N 2.89Å; Q987-R989 VanDerWaalsContact O-N 3.13Å; R989-A992 PolarHBondContact O-N 2.96Å; R989-L993 HydrophobicContact CG-CD1 4.23Å; R989-L993 WeakPolarHBondContact O-CG 3.43Å; R989-L993 PolarHBondContact O-N 2.83Å
990V97.9Very high97.6Very high64 Ų6496.9 Ų96.939%0.38848%0.476SS..Hα-helixtrans-59.7-54.1173.91710000109.8E986 Q987 A992 L993 E994E986-V990 WeakPolarHBondContact O-CG2 3.42Å; E986-V990 PolarHBondContact O-N 2.87Å; Q987-V990 CarbonylContact O-C 3.57Å; Q987-V990 WeakPolarHBondContact O-CA 3.44Å; Q987-V990 WeakPolarHBondContact O-CB 3.28Å; Q987-V990 PolarHBondContact O-N 2.99Å; V990-A992 PolarHBondContact O-N 3.22Å; V990-L993 CarbonylContact O-C 3.59Å; V990-L993 PolarHBondContact O-N 2.84Å; V990-E994 HydrophobicContact CG1-CG 4.12Å; V990-E994 WeakPolarHBondContact CG1-OE1 3.35Å; V990-E994 WeakPolarHBondContact O-CG 3.43Å; V990-E994 PolarHBondContact O-N 2.6Å
991D97.6Very high97.5Very high45 Ų4595.9 Ų95.924%0.24147%0.474CS..Hα-helixtrans-53.3-35.6178.4-52.6-11.8000112.1Q987 R995Q987-D991 PolarHBondContact NE2-OD1 2.71Å; Q987-D991 PolarHBondContact O-N 2.96Å; D991-R995 VanDerWaalsContact C-NH2 3.28Å; D991-R995 WeakPolarHBondContact O-CB 3.5Å; D991-R995 WeakPolarHBondContact O-CG 3.4Å; D991-R995 PolarHBondContact O-N 3.14Å; D991-R995 VanDerWaalsContact O-N 3.11Å; D991-R995 PolarHBondContact O-NE 3.19Å; D991-R995 PolarHBondContact O-NH2 3.17Å
992A97.8Very high97.4Very high36 Ų3698.7 Ų98.730%0.29848%0.476SS..Hα-helixtrans-76.4-36.6179.100000113L988 R989 V990 T996L988-A992 VanDerWaalsContact O-CB 3.28Å; L988-A992 WeakPolarHBondContact O-CB 3.4Å; L988-A992 PolarHBondContact O-N 3.35Å; R989-A992 PolarHBondContact O-N 2.96Å; V990-A992 PolarHBondContact O-N 3.22Å; A992-T996 WeakPolarHBondContact O-CB 3.48Å; A992-T996 PolarHBondContact O-N 3.06Å; A992-T996 VanDerWaalsContact O-N 3.14Å; A992-T996 PolarHBondContact O-OG1 2.82Å
993L97.8Very high97.3Very high101 Ų10198.6 Ų98.653%0.52947%0.468SS..Hα-helixtrans-69.5-41.9172.9-70.8170.1000111R989 V990 T996 L997R989-L993 HydrophobicContact CG-CD1 4.23Å; R989-L993 WeakPolarHBondContact O-CG 3.43Å; R989-L993 PolarHBondContact O-N 2.83Å; V990-L993 CarbonylContact O-C 3.59Å; V990-L993 PolarHBondContact O-N 2.84Å; L993-T996 WeakPolarHBondContact O-CB 3.35Å; L993-T996 PolarHBondContact O-N 3.06Å; L993-L997 WeakPolarHBondContact O-CB 3.44Å; L993-L997 PolarHBondContact O-N 2.78Å
994E97Very high97.2Very high102 Ų10297.5 Ų97.548%0.47746%0.462SS..Hα-helixtrans-58.9-53.2175.2-72176.5160.200111.1V990 T996 L997 E998V990-E994 HydrophobicContact CG1-CG 4.12Å; V990-E994 WeakPolarHBondContact CG1-OE1 3.35Å; V990-E994 WeakPolarHBondContact O-CG 3.43Å; V990-E994 PolarHBondContact O-N 2.6Å; E994-T996 PolarHBondContact O-N 3.3Å; E994-L997 CarbonylContact O-C 3.58Å; E994-L997 WeakPolarHBondContact O-CA 3.5Å; E994-L997 WeakPolarHBondContact O-CB 3.41Å; E994-L997 PolarHBondContact O-N 2.8Å; E994-E998 WeakPolarHBondContact O-CG 3.45Å; E994-E998 PolarHBondContact O-N 3Å
995R97.3Very high97.1Very high138 Ų13895.8 Ų95.852%0.52146%0.46SS..Hα-helixtrans-57.7-32.8174.6-78.2176.6-81.4109.8-4.4113.4D991 Q999D991-R995 VanDerWaalsContact C-NH2 3.28Å; D991-R995 WeakPolarHBondContact O-CB 3.5Å; D991-R995 WeakPolarHBondContact O-CG 3.4Å; D991-R995 PolarHBondContact O-N 3.14Å; D991-R995 VanDerWaalsContact O-N 3.11Å; D991-R995 PolarHBondContact O-NE 3.19Å; D991-R995 PolarHBondContact O-NH2 3.17Å; R995-Q999 WeakPolarHBondContact O-CB 3.44Å; R995-Q999 PolarHBondContact O-N 2.81Å
996T96.9Very high97Very high77 Ų7795 Ų9547%0.47246%0.458SS..Hα-helixtrans-71.8-39.6174.9-55.80000111.5A992 L993 E994 Q999 K1000A992-T996 WeakPolarHBondContact O-CB 3.48Å; A992-T996 PolarHBondContact O-N 3.06Å; A992-T996 VanDerWaalsContact O-N 3.14Å; A992-T996 PolarHBondContact O-OG1 2.82Å; L993-T996 WeakPolarHBondContact O-CB 3.35Å; L993-T996 PolarHBondContact O-N 3.06Å; E994-T996 PolarHBondContact O-N 3.3Å; T996-Q999 PolarHBondContact O-N 2.95Å; T996-K1000 WeakPolarHBondContact O-CG 3.42Å; T996-K1000 PolarHBondContact O-N 3.11Å
997L96.8Very high96.9Very high102 Ų10296.1 Ų96.153%0.53447%0.466SS..Hα-helixtrans-67.2-43.5176.9-152.6175.2000110.4L993 E994 Q999 K1000 N1001L993-L997 WeakPolarHBondContact O-CB 3.44Å; L993-L997 PolarHBondContact O-N 2.78Å; E994-L997 CarbonylContact O-C 3.58Å; E994-L997 WeakPolarHBondContact O-CA 3.5Å; E994-L997 WeakPolarHBondContact O-CB 3.41Å; E994-L997 PolarHBondContact O-N 2.8Å; L997-Q999 PolarHBondContact O-N 2.79Å; L997-K1000 CarbonylContact O-C 3.19Å; L997-K1000 PolarHBondContact O-N 3.15Å; L997-K1000 VanDerWaalsContact O-N 3.15Å; L997-N1001 VanDerWaalsContact CD2-ND2 3.34Å; L997-N1001 WeakPolarHBondContact CD2-ND2 3.37Å; L997-N1001 WeakPolarHBondContact O-CB 3.48Å; L997-N1001 PolarHBondContact O-N 3.47Å
998E96.4Very high96.8Very high101 Ų10194.6 Ų94.647%0.47246%0.464SS..Hα-helixtrans-59.6-42.2172.3-71.2176.1172.200112.6E994 N1001 K1002E994-E998 WeakPolarHBondContact O-CG 3.45Å; E994-E998 PolarHBondContact O-N 3Å; E998-N1001 PolarHBondContact O-N 2.88Å; E998-K1002 WeakPolarHBondContact O-CD 3.42Å; E998-K1002 WeakPolarHBondContact O-CG 3.34Å; E998-K1002 PolarHBondContact O-N 2.88Å
999Q97Very high96.6Very high111 Ų11194.3 Ų94.352%0.51946%0.458SS..Hα-helixtrans-62.4-45.2173-173.5-172.7-42.600110.6R995 T996 L997 N1001 K1002 E1003R995-Q999 WeakPolarHBondContact O-CB 3.44Å; R995-Q999 PolarHBondContact O-N 2.81Å; T996-Q999 PolarHBondContact O-N 2.95Å; L997-Q999 PolarHBondContact O-N 2.79Å; Q999-N1001 VanDerWaalsContact C-N 3.33Å; Q999-N1001 PolarHBondContact O-N 2.94Å; Q999-K1002 PolarHBondContact O-N 3.4Å; Q999-E1003 PolarHBondContact NE2-OE1 3.43Å; Q999-E1003 WeakPolarHBondContact O-CG 3.42Å; Q999-E1003 PolarHBondContact O-N 2.82Å
1000K96.8Very high96.5Very high99 Ų9991.6 Ų91.643%0.4345%0.454SS..Hα-helixtrans-65.1-35178.2-71.2-70.8166.1-131.30112.8T996 L997 E1003 I1004T996-K1000 WeakPolarHBondContact O-CG 3.42Å; T996-K1000 PolarHBondContact O-N 3.11Å; L997-K1000 CarbonylContact O-C 3.19Å; L997-K1000 PolarHBondContact O-N 3.15Å; L997-K1000 VanDerWaalsContact O-N 3.15Å; K1000-E1003 IonicContact NZ-OE1 2.71Å; K1000-E1003 PolarHBondContact NZ-OE1 3.19Å; K1000-E1003 IonicContact NZ-OE2 3.17Å; K1000-E1003 PolarHBondContact NZ-OE2 3.44Å; K1000-E1003 PolarHBondContact O-N 3.45Å; K1000-I1004 WeakPolarHBondContact O-CB 3.46Å; K1000-I1004 WeakPolarHBondContact O-CD1 3.22Å; K1000-I1004 WeakPolarHBondContact O-CG1 3.33Å; K1000-I1004 PolarHBondContact O-N 2.81Å
1001N96.9Very high96.2Very high79 Ų7991.7 Ų91.742%0.42246%0.457SS..Hα-helixtrans-65.4-41.6172.3-72.6-11.7000111.5L997 E998 Q999 I1004 E1005L997-N1001 VanDerWaalsContact CD2-ND2 3.34Å; L997-N1001 WeakPolarHBondContact CD2-ND2 3.37Å; L997-N1001 WeakPolarHBondContact O-CB 3.48Å; L997-N1001 PolarHBondContact O-N 3.47Å; E998-N1001 PolarHBondContact O-N 2.88Å; Q999-N1001 VanDerWaalsContact C-N 3.33Å; Q999-N1001 PolarHBondContact O-N 2.94Å; N1001-I1004 PolarHBondContact O-N 3.01Å; N1001-E1005 WeakPolarHBondContact O-CG 3.2Å; N1001-E1005 PolarHBondContact O-N 3.25Å
1002K96.8Very high96Very high115 Ų11594 Ų9450%0.547%0.469SS..Hα-helixtrans-63.2-43.9173.8-71161.3-174.4160.80112.1E998 Q999 I1004 E1005 E1006E998-K1002 WeakPolarHBondContact O-CD 3.42Å; E998-K1002 WeakPolarHBondContact O-CG 3.34Å; E998-K1002 PolarHBondContact O-N 2.88Å; Q999-K1002 PolarHBondContact O-N 3.4Å; K1002-I1004 VanDerWaalsContact C-N 3.33Å; K1002-I1004 PolarHBondContact O-N 3.44Å; K1002-E1005 PolarHBondContact O-N 3.42Å; K1002-E1006 WeakPolarHBondContact O-CB 3.45Å; K1002-E1006 WeakPolarHBondContact O-CG 3.28Å; K1002-E1006 PolarHBondContact O-N 3.36Å
1003E95.6Very high95.7Very high63 Ų6397.5 Ų97.529%0.29448%0.479SS..Hα-helixtrans-60-41.3172.9-70.5173.7-147.600111.7Q999 K1000 E1006 L1007Q999-E1003 PolarHBondContact NE2-OE1 3.43Å; Q999-E1003 WeakPolarHBondContact O-CG 3.42Å; Q999-E1003 PolarHBondContact O-N 2.82Å; K1000-E1003 IonicContact NZ-OE1 2.71Å; K1000-E1003 PolarHBondContact NZ-OE1 3.19Å; K1000-E1003 IonicContact NZ-OE2 3.17Å; K1000-E1003 PolarHBondContact NZ-OE2 3.44Å; K1000-E1003 PolarHBondContact O-N 3.45Å; E1003-E1006 PolarHBondContact O-N 3.38Å; E1003-L1007 WeakPolarHBondContact O-CB 3.16Å; E1003-L1007 WeakPolarHBondContact O-CG 3.44Å; E1003-L1007 PolarHBondContact O-N 2.88Å
1004I95.4Very high95.5Very high97 Ų9797.5 Ų97.550%0.49748%0.479SS..Hα-helixtrans-66.2-42.7175.6-71.8163000111.2K1000 N1001 K1002 L1007 T1008K1000-I1004 WeakPolarHBondContact O-CB 3.46Å; K1000-I1004 WeakPolarHBondContact O-CD1 3.22Å; K1000-I1004 WeakPolarHBondContact O-CG1 3.33Å; K1000-I1004 PolarHBondContact O-N 2.81Å; N1001-I1004 PolarHBondContact O-N 3.01Å; K1002-I1004 VanDerWaalsContact C-N 3.33Å; K1002-I1004 PolarHBondContact O-N 3.44Å; I1004-L1007 PolarHBondContact O-N 2.93Å; I1004-T1008 VanDerWaalsContact O-CB 3.3Å; I1004-T1008 WeakPolarHBondContact O-CB 3.49Å; I1004-T1008 PolarHBondContact O-N 3.43Å; I1004-T1008 PolarHBondContact O-OG1 3.13Å
1005E95.7Very high95.2Very high101 Ų10198.2 Ų98.247%0.47249%0.485SS..Hα-helixtrans-61.4-43.2174.4-79.4-175.3-140.500112N1001 K1002 T1008 K1009N1001-E1005 WeakPolarHBondContact O-CG 3.2Å; N1001-E1005 PolarHBondContact O-N 3.25Å; K1002-E1005 PolarHBondContact O-N 3.42Å; E1005-T1008 PolarHBondContact O-N 2.87Å; E1005-K1009 WeakPolarHBondContact O-CB 3.34Å; E1005-K1009 VanDerWaalsContact O-CD 3.28Å; E1005-K1009 WeakPolarHBondContact O-CD 3.36Å; E1005-K1009 WeakPolarHBondContact O-CG 3.3Å; E1005-K1009 PolarHBondContact O-N 2.83Å; E1005-K1009 IonicContact OE2-NZ 2.88Å; E1005-K1009 PolarHBondContact OE2-NZ 2.97Å
1006E95.8Very high94.8Very high118 Ų11893.8 Ų93.855%0.55148%0.478SS*.Hα-helixtrans-66.2-44.5177.7-74.5174.1-169.700111.5K1002 E1003 T1008 K1009 I1010K1002-E1006 WeakPolarHBondContact O-CB 3.45Å; K1002-E1006 WeakPolarHBondContact O-CG 3.28Å; K1002-E1006 PolarHBondContact O-N 3.36Å; E1003-E1006 PolarHBondContact O-N 3.38Å; E1006-T1008 VanDerWaalsContact C-N 3.3Å; E1006-T1008 PolarHBondContact O-N 2.87Å; E1006-K1009 PolarHBondContact O-N 2.92Å; E1006-I1010 WeakPolarHBondContact O-CD1 3.26Å; E1006-I1010 VanDerWaalsContact O-CG1 3.26Å; E1006-I1010 WeakPolarHBondContact O-CG1 3.49Å; E1006-I1010 PolarHBondContact O-N 3.47Å
1007L95.9Very high94.2Very high105 Ų10596 Ų9655%0.5548%0.481SS..Hα-helixtrans-61.4-38.4172.6-72.6169.4000111.9E1003 I1004 I1010 C1011E1003-L1007 WeakPolarHBondContact O-CB 3.16Å; E1003-L1007 WeakPolarHBondContact O-CG 3.44Å; E1003-L1007 PolarHBondContact O-N 2.88Å; I1004-L1007 PolarHBondContact O-N 2.93Å; L1007-I1010 PolarHBondContact O-N 3.33Å; L1007-C1011 PolarHBondContact O-N 2.67Å; L1007-C1011 PolarHBondContact O-SG 3.47Å
1008T94.4Very high93.5Very high67 Ų6798.1 Ų98.141%0.41149%0.49SS..Hα-helixtrans-65.9-47.4176.3-560000110.6I1004 E1005 E1006 I1010 C1011 D1012I1004-T1008 VanDerWaalsContact O-CB 3.3Å; I1004-T1008 WeakPolarHBondContact O-CB 3.49Å; I1004-T1008 PolarHBondContact O-N 3.43Å; I1004-T1008 PolarHBondContact O-OG1 3.13Å; E1005-T1008 PolarHBondContact O-N 2.87Å; E1006-T1008 VanDerWaalsContact C-N 3.3Å; E1006-T1008 PolarHBondContact O-N 2.87Å; T1008-I1010 VanDerWaalsContact C-N 3.28Å; T1008-I1010 PolarHBondContact O-N 3.48Å; T1008-C1011 WeakPolarHBondContact O-CB 3.5Å; T1008-C1011 PolarHBondContact O-N 3.06Å; T1008-D1012 PolarHBondContact O-N 3.32Å
1009K95.6Very high92.3Very high107 Ų10796.6 Ų96.647%0.46550%0.502SS..Hα-helixtrans-56.8-40.7174.3-69.7156.3-163.2162.10111.7E1005 E1006 E1013E1005-K1009 WeakPolarHBondContact O-CB 3.34Å; E1005-K1009 VanDerWaalsContact O-CD 3.28Å; E1005-K1009 WeakPolarHBondContact O-CD 3.36Å; E1005-K1009 WeakPolarHBondContact O-CG 3.3Å; E1005-K1009 PolarHBondContact O-N 2.83Å; E1005-K1009 IonicContact OE2-NZ 2.88Å; E1005-K1009 PolarHBondContact OE2-NZ 2.97Å; E1006-K1009 PolarHBondContact O-N 2.92Å; K1009-E1013 WeakPolarHBondContact O-CB 3.44Å; K1009-E1013 PolarHBondContact O-N 3.27Å
1010I94.8Very high90.6Very high96 Ų9699.3 Ų99.349%0.49251%0.512SS..Hα-helixtrans-66-41.8175-68.6163000111.5E1006 L1007 T1008 E1013 L1014E1006-I1010 WeakPolarHBondContact O-CD1 3.26Å; E1006-I1010 VanDerWaalsContact O-CG1 3.26Å; E1006-I1010 WeakPolarHBondContact O-CG1 3.49Å; E1006-I1010 PolarHBondContact O-N 3.47Å; L1007-I1010 PolarHBondContact O-N 3.33Å; T1008-I1010 VanDerWaalsContact C-N 3.28Å; T1008-I1010 PolarHBondContact O-N 3.48Å; I1010-E1013 PolarHBondContact O-N 3.17Å; I1010-L1014 HydrophobicContact CG2-CD1 4.06Å; I1010-L1014 WeakPolarHBondContact O-CB 3.49Å; I1010-L1014 VanDerWaalsContact O-CG 3.3Å; I1010-L1014 WeakPolarHBondContact O-CG 3.36Å; I1010-L1014 PolarHBondContact O-N 2.89Å
1011C91.6Very high88.3Confident66 Ų66102.7 Ų102.745%0.44655%0.548SS..Hα-helixtrans-63.4-46.3175.2-67.20000111.8L1007 T1008 E1013 L1014 I1015L1007-C1011 PolarHBondContact O-N 2.67Å; L1007-C1011 PolarHBondContact O-SG 3.47Å; T1008-C1011 WeakPolarHBondContact O-CB 3.5Å; T1008-C1011 PolarHBondContact O-N 3.06Å; C1011-E1013 PolarHBondContact O-N 2.89Å; C1011-L1014 WeakPolarHBondContact O-CB 3.3Å; C1011-L1014 PolarHBondContact O-N 3.49Å; C1011-L1014 VanDerWaalsContact O-N 3.17Å; C1011-I1015 VanDerWaalsContact O-CG1 3.3Å; C1011-I1015 WeakPolarHBondContact O-CG1 3.3Å; C1011-I1015 PolarHBondContact O-N 3.48Å
1012D94.1Very high87.8Confident93 Ų93103.9 Ų103.950%0.49755%0.554SS.*Hα-helixtrans-63.2-40.7177.2-70.9-27.2000111.6T1008 L1014 I1015 A1016T1008-D1012 PolarHBondContact O-N 3.32Å; D1012-L1014 PolarHBondContact O-N 2.83Å; D1012-I1015 PolarHBondContact O-N 3.02Å; D1012-A1016 WeakPolarHBondContact O-CB 3.18Å; D1012-A1016 PolarHBondContact O-N 3.44Å
1013E91.9Very high87.4Confident110 Ų110103.3 Ų103.351%0.51456%0.557SS.*Hα-helixtrans-61-40.8171.9-91-161.6-137.900112.7K1009 I1010 C1011 A1016 K1017K1009-E1013 WeakPolarHBondContact O-CB 3.44Å; K1009-E1013 PolarHBondContact O-N 3.27Å; I1010-E1013 PolarHBondContact O-N 3.17Å; C1011-E1013 PolarHBondContact O-N 2.89Å; E1013-A1016 PolarHBondContact O-N 2.79Å; E1013-K1017 WeakPolarHBondContact O-CB 3.48Å; E1013-K1017 VanDerWaalsContact O-CD 3.28Å; E1013-K1017 WeakPolarHBondContact O-CD 3.33Å; E1013-K1017 WeakPolarHBondContact O-CG 3.28Å; E1013-K1017 PolarHBondContact O-N 3.41Å; E1013-K1017 WeakPolarHBondContact OE2-CE 3.17Å; E1013-K1017 IonicContact OE2-NZ 2.6Å; E1013-K1017 PolarHBondContact OE2-NZ 3.47Å
1014L92.6Very high86.9Confident101 Ų101105.6 Ų105.653%0.52957%0.572SS.*Hα-helixtrans-66.8-45.1177.1-75.9165.3000111I1010 C1011 D1012 A1016 K1017 M1018I1010-L1014 HydrophobicContact CG2-CD1 4.06Å; I1010-L1014 WeakPolarHBondContact O-CB 3.49Å; I1010-L1014 VanDerWaalsContact O-CG 3.3Å; I1010-L1014 WeakPolarHBondContact O-CG 3.36Å; I1010-L1014 PolarHBondContact O-N 2.89Å; C1011-L1014 WeakPolarHBondContact O-CB 3.3Å; C1011-L1014 PolarHBondContact O-N 3.49Å; C1011-L1014 VanDerWaalsContact O-N 3.17Å; D1012-L1014 PolarHBondContact O-N 2.83Å; L1014-A1016 VanDerWaalsContact C-N 3.33Å; L1014-A1016 PolarHBondContact O-N 2.63Å; L1014-K1017 PolarHBondContact O-N 2.87Å; L1014-M1018 WeakPolarHBondContact O-CG 3.21Å; L1014-M1018 PolarHBondContact O-N 3.31Å
1015I90.1Very high86.4Confident116 Ų116106.1 Ų106.160%0.59558%0.576SS**Hα-helixtrans-59.5-45174.3-67.5163.4000110.3C1011 D1012 K1017 M1018 G1019C1011-I1015 VanDerWaalsContact O-CG1 3.3Å; C1011-I1015 WeakPolarHBondContact O-CG1 3.3Å; C1011-I1015 PolarHBondContact O-N 3.48Å; D1012-I1015 PolarHBondContact O-N 3.02Å; I1015-K1017 VanDerWaalsContact C-N 3.26Å; I1015-K1017 PolarHBondContact O-N 3.32Å; I1015-M1018 PolarHBondContact O-N 3.19Å; I1015-G1019 PolarHBondContact O-N 2.97Å
1016A89.4Confident85.8Confident46 Ų46106.4 Ų106.438%0.3858%0.583SS.*Hα-helixtrans-73-10.5179.400000114.8D1012 E1013 L1014 K1020D1012-A1016 WeakPolarHBondContact O-CB 3.18Å; D1012-A1016 PolarHBondContact O-N 3.44Å; E1013-A1016 PolarHBondContact O-N 2.79Å; L1014-A1016 VanDerWaalsContact C-N 3.33Å; L1014-A1016 PolarHBondContact O-N 2.63Å; A1016-K1020 WeakPolarHBondContact O-CD 3.16Å; A1016-K1020 WeakPolarHBondContact O-CE 3.46Å; A1016-K1020 PolarHBondContact O-NZ 2.99Å
1017K85.7Confident85.2Confident122 Ų122105.6 Ų105.653%0.5359%0.585SS.*Hα-helixtrans-91.1-44168.4-73.1160.3-166.4164.30110.8E1013 L1014 I1015 K1020E1013-K1017 WeakPolarHBondContact O-CB 3.48Å; E1013-K1017 VanDerWaalsContact O-CD 3.28Å; E1013-K1017 WeakPolarHBondContact O-CD 3.33Å; E1013-K1017 WeakPolarHBondContact O-CG 3.28Å; E1013-K1017 PolarHBondContact O-N 3.41Å; E1013-K1017 WeakPolarHBondContact OE2-CE 3.17Å; E1013-K1017 IonicContact OE2-NZ 2.6Å; E1013-K1017 PolarHBondContact OE2-NZ 3.47Å; L1014-K1017 PolarHBondContact O-N 2.87Å; I1015-K1017 VanDerWaalsContact C-N 3.26Å; I1015-K1017 PolarHBondContact O-N 3.32Å; K1017-K1020 PolarHBondContact O-N 2.91Å
1018M81.1Confident84.4Confident148 Ų148105.6 Ų105.673%0.72959%0.587SS**Hα-helixtrans-64.8-40.9177.2-69.8-64.8-66.300112.6L1014 I1015 K1020 S1021L1014-M1018 WeakPolarHBondContact O-CG 3.21Å; L1014-M1018 PolarHBondContact O-N 3.31Å; I1015-M1018 PolarHBondContact O-N 3.19Å; M1018-K1020 PolarHBondContact O-N 3.46Å; M1018-S1021 PolarHBondContact O-N 2.82Å
1019G71.8Confident83.6Confident69 Ų69108.6 Ų108.671%0.71160%0.601SS**THydrogen-bonded Turntrans-73.418.1179.100000115.8I1015I1015-G1019 PolarHBondContact O-N 2.97Å
1020K61.2Low82.6Confident168 Ų168108.8 Ų108.873%0.7361%0.612SS**THydrogen-bonded Turntrans-131.314.5179.5-64.9179.1-173.8145.50113.1A1016 K1017 M1018A1016-K1020 WeakPolarHBondContact O-CD 3.16Å; A1016-K1020 WeakPolarHBondContact O-CE 3.46Å; A1016-K1020 PolarHBondContact O-NZ 2.99Å; K1017-K1020 PolarHBondContact O-N 2.91Å; M1018-K1020 PolarHBondContact O-N 3.46Å
1021S47.3Very low81.5Confident170 Ų170109.9 Ų109.9100%1.18962%0.623SS**  trans-103.40174.4-58.60000111.1M1018M1018-S1021 PolarHBondContact O-N 2.82Å

Retrieved 1,021 of 1,021 residues in 216.1 ms (Link to these results)