A0A087XXW2_POEFO Loading...

Calpastatin

Specific inhibition of calpain (calcium-dependent cysteine protease). Plays a key role in postmortem tenderization of meat and have been proposed to be involved in muscle protein degradation in living tissue.

AlphaFold DB , UniProt , Accession A0A087XXW2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 833 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1T36.6Very low34.7Very low185 Ų185145.5 Ų145.5100%1.13577%0.773SS**  094.50-40.80000107.1
2S35.9Very low34.5Very low99 Ų99144.4 Ų144.469%0.69277%0.767SS**  77.5130.270.8-57.50000111.1
3Y32.6Very low34.5Very low173 Ų173147.8 Ų147.868%0.67878%0.776SS**  cis-156.1138.10.8-138.8-72.9000108.2R5Y3-R5 HydrophobicContact CD1-CB 3.9Å; Y3-R5 HydrophobicContact CD1-CG 4.47Å; Y3-R5 HydrophobicContact CE1-CB 4.02Å; Y3-R5 HydrophobicContact CE1-CG 4.08Å
4S35.8Very low34.5Very low98 Ų98153.4 Ų153.469%0.68578%0.782SS**  trans-123.2108.6161.2-170.20000107.7
5R37.4Very low34.5Very low186 Ų186151.3 Ų151.370%0.70279%0.787SS**  trans-104.593.2-172.5-162.4-177.2-62-174.41.2108.8Y3 F7Y3-R5 HydrophobicContact CD1-CB 3.9Å; Y3-R5 HydrophobicContact CD1-CG 4.47Å; Y3-R5 HydrophobicContact CE1-CB 4.02Å; Y3-R5 HydrophobicContact CE1-CG 4.08Å; R5-F7 PolarHBondContact O-N 2.89Å
6Y35.8Very low34.6Very low202 Ų202150.6 Ų150.679%0.79278%0.784SS**  trans-59.6127.6169.5-72.6-91.2000109.2
7F31.6Very low34.7Very low192 Ų192152.3 Ų152.384%0.84279%0.787SS**  trans-99.293179.5-162.3-85.8000108.9R5 P9R5-F7 PolarHBondContact O-N 2.89Å; F7-P9 WeakPolarHBondContact O-CD 3.32Å
8T34.6Very low34.6Very low121 Ų121151 Ų15174%0.74279%0.786SS**  trans-80.7117.3173.6400000109.8S10T8-S10 PolarHBondContact O-N 2.78Å; T8-S10 VanDerWaalsContact O-N 3.12Å
9P36.7Very low34.5Very low109 Ų109149.6 Ų149.671%0.70879%0.785SS**  trans-69.9109.8171.128.5-32000109F7 V11F7-P9 WeakPolarHBondContact O-CD 3.32Å; P9-V11 PolarHBondContact O-N 3.12Å
10S30.4Very low34.4Very low103 Ų103147.2 Ų147.272%0.7278%0.781SS**  trans-68.9118.9171.2-176.60000109.1T8 N12T8-S10 PolarHBondContact O-N 2.78Å; T8-S10 VanDerWaalsContact O-N 3.12Å; S10-N12 PolarHBondContact O-N 3.08Å
11V34.5Very low34.2Very low133 Ų133144.3 Ų144.381%0.80678%0.778SS**  trans-80.297.7174-179.20000108P9 E13P9-V11 PolarHBondContact O-N 3.12Å; V11-E13 PolarHBondContact O-N 2.92Å
12N32.3Very low34Very low132 Ų132141.6 Ų141.671%0.70676%0.761SS**  trans-71.5117.9169.9-78.9-18.1000109.5S10 W14S10-N12 PolarHBondContact O-N 3.08Å; N12-W14 PolarHBondContact O-N 2.88Å; N12-W14 VanDerWaalsContact O-N 3.12Å
13E34.5Very low34Very low189 Ų189142.4 Ų142.488%0.88376%0.764SS**  trans-65109169.2-71.1-171.5106.500110.6V11V11-E13 PolarHBondContact O-N 2.92Å
14W33.8Very low33.8Very low225 Ų225138.9 Ų138.985%0.85277%0.765SS**  trans-10896.5159-93.539000108.2N12 L16N12-W14 PolarHBondContact O-N 2.88Å; N12-W14 VanDerWaalsContact O-N 3.12Å; W14-L16 VanDerWaalsContact C-N 3.34Å; W14-L16 PolarHBondContact O-N 3.02Å
15S35Very low33.5Very low122 Ų122142.1 Ų142.185%0.85377%0.773SS**  trans-72.486.5-179-164.90000110.8
16L36.1Very low33.2Very low141 Ų141141.7 Ų141.774%0.73878%0.779SS**  trans-91106.2173-81.6170.1000109.8W14 V18W14-L16 VanDerWaalsContact C-N 3.34Å; W14-L16 PolarHBondContact O-N 3.02Å; L16-V18 PolarHBondContact O-N 3.34Å
17Q36Very low33Very low179 Ų179138 Ų13884%0.83678%0.782SS**  trans-77.585.2-172.4-165.3161.913.400112V19Q17-V19 PolarHBondContact O-N 3.25Å; Q17-V19 VanDerWaalsContact O-N 3.15Å
18V32.5Very low33Very low129 Ų129137.7 Ų137.778%0.78278%0.784SS**  trans-73.7101.2176.4-179.90000110.3L16 S20L16-V18 PolarHBondContact O-N 3.34Å; V18-S20 PolarHBondContact O-N 2.84Å
19V33.8Very low32.8Very low125 Ų125137.4 Ų137.476%0.75879%0.787SS**  trans-77.498.2171.2179.30000109.5Q17 A21Q17-V19 PolarHBondContact O-N 3.25Å; Q17-V19 VanDerWaalsContact O-N 3.15Å; V19-A21 PolarHBondContact O-N 3.38Å
20S31.5Very low32.6Very low100 Ų100137.7 Ų137.770%0.69979%0.792SS**  trans-79.177.9176.856.80000111.9V18 V22V18-S20 PolarHBondContact O-N 2.84Å; S20-V22 PolarHBondContact O-N 3.16Å
21A30.9Very low32.7Very low88 Ų88141.5 Ų141.573%0.72780%0.798SS**  trans-70.1106.2171.200000110.6V19 P23V19-A21 PolarHBondContact O-N 3.38Å; A21-P23 WeakPolarHBondContact O-CD 3.41Å
22V31.8Very low32.3Very low127 Ų127140.7 Ų140.777%0.7780%0.798SS**  trans-89.7114.4179.4179.20000110.4S20 S24S20-V22 PolarHBondContact O-N 3.16Å; V22-S24 PolarHBondContact O-N 3.49Å; V22-S24 VanDerWaalsContact O-N 3.15Å
23P36.5Very low32.3Very low116 Ų116140.1 Ų140.175%0.75380%0.799SS**  trans-76.6100.9173.330.4-32.7000110.4A21 L25A21-P23 WeakPolarHBondContact O-CD 3.41Å; P23-L25 PolarHBondContact O-N 3.15Å
24S27.8Very low33Very low100 Ų100136.6 Ų136.670%0.69979%0.793SS**  trans-71.4116.9173.1-171.80000110.9V22V22-S24 PolarHBondContact O-N 3.49Å; V22-S24 VanDerWaalsContact O-N 3.15Å
25L31.1Very low32.7Very low165 Ų165135.6 Ų135.686%0.86480%0.795SS**  trans-102102.5168.6-78.2174000109.8P23 S27P23-L25 PolarHBondContact O-N 3.15Å; L25-S27 PolarHBondContact O-N 3.42Å
26Q29.8Very low32.7Very low178 Ų178135.4 Ų135.483%0.83279%0.79SS**  trans-75.2107.5175.8-66.6176.5-42.800110.8Q28Q26-Q28 PolarHBondContact O-N 3.43Å
27S30.8Very low32.4Very low123 Ų123132.9 Ų132.986%0.8679%0.79SS**  trans-76.6112162.9-69.80000109.7L25 S29L25-S27 PolarHBondContact O-N 3.42Å; S27-S29 PolarHBondContact O-N 2.92Å
28Q32.6Very low32.8Very low187 Ų187129.7 Ų129.787%0.87479%0.785SS**  trans-69.5130.1175.4-73.3-174.7-34.900111.3Q26Q26-Q28 PolarHBondContact O-N 3.43Å
29S31.3Very low32.5Very low115 Ų115131.7 Ų131.780%0.80479%0.785SS**  trans-91.9138.3168.4-174.20000110.2S27S27-S29 PolarHBondContact O-N 2.92Å
30S31.8Very low32.1Very low115 Ų115131.6 Ų131.680%0.80479%0.785SS**  trans-127.2127173.9-750000110
31Q32.4Very low32Very low183 Ų183131.7 Ų131.786%0.85579%0.786SS**  trans-82154.5-177.3-59171.8-72.800112.1
32S26.5Very low31.9Very low116 Ų116134.5 Ų134.581%0.81179%0.794SS**  trans-143159.1140.782.40000110.5
33T31.4Very low31.7Very low119 Ų119132.2 Ų132.273%0.7380%0.796SS**  trans-126.3-166.5-173.568.80000109.8
34P49.8Very low31.2Very low115 Ų115132 Ų13275%0.74780%0.797SS**  -123.7178.8-125.425.3-0.1000116.9
35K28.2Very low31.2Very low205 Ų205133.3 Ų133.389%0.89180%0.801SS**  trans72.1164.2169.9-107.6-178.9175.9177.80115.7
36P34.5Very low31.1Very low117 Ų117129.5 Ų129.576%0.7679%0.794SS**  cis-130.6-167.6-8.542.7-26000114.6
37A28.5Very low31.2Very low88 Ų88128.5 Ų128.573%0.72779%0.789SS**  trans-120.3-179160.700000108.4
38P44.6Very low31.2Very low112 Ų112130.9 Ų130.973%0.72778%0.784SS**  cis-142-153.37.333.2-6.4000114.7
39Q27.1Very low30.9Very low171 Ų171128.2 Ų128.280%0.79977%0.772SS**  trans81.4153.2163.2-60.7-164.7-1.900118.6
40V25.7Very low30.8Very low124 Ų124130.4 Ų130.475%0.75277%0.767SS**  cis-145137-7-111.80000107.5
41S29.5Very low31.1Very low102 Ų102129.2 Ų129.271%0.71376%0.764SS**  83119.370.8-168.50000117.1
42T27.6Very low31.6Very low146 Ų146126.1 Ų126.190%0.89676%0.76SS**  trans-172.3112.5138.811.10000114.4
43G27.6Very low31.9Very low79 Ų79126.6 Ų126.681%0.81476%0.763SS**  trans68.1152.4150.800000121.6
44S27.6Very low31.6Very low112 Ų112124.3 Ų124.378%0.78376%0.763SS**  cis-166.3152-15.7-167.90000113.5
45T26.8Very low30.6Very low128 Ų128123.6 Ų123.679%0.78576%0.761SS**  trans86.8137.8152.6-45.90000120.8
46A28.1Very low30.4Very low85 Ų85119.4 Ų119.470%0.70275%0.753SS**  trans65.5114.1172.800000117.2
47Q33.7Very low30.1Very low157 Ų157121.5 Ų121.573%0.73475%0.754SS**  cis69.9138.117-61.6-171.4-16.600115.8
48F29.2Very low30.2Very low173 Ų173122.6 Ų122.676%0.75975%0.752SS**  cis-153.8172.34.6-103.4-45.1000109.2
49E27.5Very low29.5Very low131 Ų131124.1 Ų124.161%0.61276%0.759SS**  cis-148.5147.5-4.7-143.4-151.3167.900109.1
50K28.5Very low29.9Very low160 Ų160125.2 Ų125.270%0.69676%0.762SS**  trans57.1132.7134.1-171.2174.7-179.7179.10124
51A38.8Very low30.6Very low91 Ų91125.2 Ų125.275%0.75276%0.764SS**  trans-103.8161.4155.600000111
52P43Very low30.5Very low117 Ų117123.3 Ų123.376%0.7676%0.76SS**  trans-144.7150.1143.937.6-22.4000117.4
53S31.3Very low30.4Very low126 Ų126123.4 Ų123.488%0.88176%0.761SS**  trans-11.2148.4148.5-163.20000121.5
54G27Very low30.4Very low71 Ų71125.7 Ų125.773%0.73276%0.759SS**  trans92.5161.9157.900000116
55S27.2Very low30.4Very low101 Ų101125.3 Ų125.371%0.70675%0.752SS**  cis-167.2153.4-8.2-179.20000111.1
56T24.7Very low30.5Very low117 Ų117127.7 Ų127.772%0.71876%0.756SS**  trans57.2132.5149.540.20000123.6
57M27.6Very low30.5Very low160 Ų160127.7 Ų127.779%0.78876%0.756SS**  trans76.8112.8134.1-66.2-81.4-85.400122.2
58T32Very low30.2Very low112 Ų112127.3 Ų127.369%0.68776%0.764SS**  55.5114.3119-50.50000121.3
59T30.2Very low29.9Very low143 Ų143122.4 Ų122.488%0.87776%0.762SS**  trans-163.6138.5130.36.40000115
60K33.5Very low29.8Very low195 Ų195120 Ų12085%0.84877%0.773SS**  trans-95.8174.5148.2-86.6-177.7177.4178.90107.4
61P40.3Very low29.6Very low123 Ų123116.5 Ų116.580%0.79977%0.774SS**  cis-120.5-166.510.636.7-16.1000112
62G28.6Very low29Very low62 Ų62119.4 Ų119.464%0.63978%0.782SS**  cis97.9139.312.500000112.6
63V25.3Very low28.4Very low149 Ų149117.4 Ų117.490%0.90378%0.783SS**  trans111.2131.8-167.7167.40000110.7
64V27.6Very low28.5Very low127 Ų127116.8 Ų116.877%0.7778%0.778SS**  cis-153.41760.898.20000115.5
65T28.2Very low28.5Very low104 Ų104121.1 Ų121.164%0.63879%0.785SS**  trans-59.4146.7-171.8500000123.8
66M28.6Very low28.7Very low177 Ų177121.9 Ų121.987%0.87279%0.785SS**  70.7146.5121.3-61.9-72.3177.500125.7
67A27.7Very low28.9Very low86 Ų86122.4 Ų122.471%0.71179%0.788SS**  trans92.2130.1137.800000122.4
68V26.6Very low29Very low149 Ų149119.5 Ų119.590%0.90379%0.79SS**  trans63.6148.5154.9177.40000116.6
69G24.5Very low28.8Very low69 Ų69117.8 Ų117.871%0.71179%0.794SS**  cis149.390.6-10.200000113.4
70G24.4Very low29Very low81 Ų81115.9 Ų115.984%0.83579%0.793SS**  trans76.3175.7-179.800000115
71A24.9Very low29.1Very low87 Ų87111.5 Ų111.572%0.71979%0.793SS**  cis-169.5144.9-24.300000110.8
72T26.4Very low28.7Very low151 Ų151110.2 Ų110.293%0.92679%0.793SS**  trans61.9151169.356.70000118.3
73G30.3Very low28.8Very low75 Ų75117 Ų11777%0.77381%0.805SS**  cis174.7-175.52.200000111.2
74S32.5Very low29Very low113 Ų113114.1 Ų114.179%0.7980%0.797SS**  cis-164.714.7-6.2-160.60000117.7V76S74-V76 PolarHBondContact O-N 3.34Å
75D26.6Very low29.1Very low163 Ų163111.5 Ų111.587%0.87280%0.795SS**  trans-61.1115.3-177.3-75.6-45.9000112
76V32.6Very low29.1Very low116 Ų116112.9 Ų112.970%0.70380%0.803SS**  73.6113.265.21780000110.7S74S74-V76 PolarHBondContact O-N 3.34Å
77T28.5Very low29.1Very low128 Ų128109.6 Ų109.679%0.78580%0.804SS**  cis-149.116040.2-33.90000113.9
78A30Very low28.9Very low99 Ų99109 Ų10982%0.81881%0.807SS**  trans2.7145.6164.500000122.3
79G28.1Very low28.9Very low76 Ų76110.1 Ų110.178%0.78480%0.8SS**  cis148.5172.9-1.400000112.8
80A34.8Very low29Very low104 Ų104112.9 Ų112.986%0.8680%0.799SS**  cis-176.7152.4-21.800000108.9
81A35.5Very low29.4Very low102 Ų102114.4 Ų114.484%0.84380%0.796SS**  cis-123.6-103.3-11.900000110.7
82A30.4Very low30.2Very low96 Ų96115.7 Ų115.779%0.79380%0.797SS**  cis-165.8152-1000000108.2
83K32.1Very low30Very low205 Ų205118 Ų11889%0.89180%0.795SS**  cis-158.8155.7-22.7-179.8172.2176.7-178.50110
84A29.3Very low29.8Very low89 Ų89119.4 Ų119.474%0.73680%0.798SS**  trans-61.9-175.2172.600000114.2
85G28.8Very low29.5Very low71 Ų71122 Ų12273%0.73280%0.796SS**  cis145.2177.213.900000110
86T28.1Very low29.9Very low133 Ų133119.4 Ų119.482%0.81679%0.788SS**  cis-166.5157.3-4.6-62.70000108.6
87A28.5Very low29.6Very low108 Ų108120.7 Ų120.789%0.89379%0.786SS**  trans68.8164.9178.400000115.3
88G24.8Very low29.4Very low75 Ų75118.4 Ų118.477%0.77378%0.78SS**  cis-170.4-160.8-0.700000108.8
89K26.7Very low29Very low172 Ų172118.4 Ų118.475%0.74877%0.774SS**  cis-167.5165.6-6.2-163-177.3167.6-74.20108.8
90D25.3Very low28.9Very low127 Ų127123.3 Ų123.368%0.67978%0.781SS**  trans71.2129.4161.2-62.3-42.1000122.3
91S32.5Very low28.5Very low112 Ų112121.5 Ų121.578%0.78377%0.773SS**  trans-109.8169.2155.5-35.80000107.7
92P42.7Very low28.2Very low115 Ų115122 Ų12275%0.74777%0.77SS**  -162.6173.468.844.8-23.3000119.3
93K22.8Very low28.1Very low200 Ų200125.6 Ų125.687%0.8777%0.771SS**  trans56.3111.3133.9-178.1-174.1-178.3-179.90121.2
94A26.2Very low27.8Very low103 Ų103121.5 Ų121.585%0.85176%0.763SS**  -161.6146128.700000113.4
95K26.3Very low27.6Very low168 Ų168126.1 Ų126.173%0.7377%0.766SS**  trans-126138167.3166-178.5179.9-142.50104.2E97K95-E97 WeakPolarHBondContact CE-OE2 3.3Å; K95-E97 IonicContact NZ-OE2 3.07Å; K95-E97 PolarHBondContact NZ-OE2 3.01Å
96P34.6Very low27.6Very low109 Ų109127.1 Ų127.171%0.70877%0.767SS**  -157.6178.981.244.3-22.1000120
97E24.7Very low27.4Very low143 Ų143125.8 Ų125.867%0.66876%0.763SS**  trans-12.5163.7147.8-69.4142.393.800120.3K95K95-E97 WeakPolarHBondContact CE-OE2 3.3Å; K95-E97 IonicContact NZ-OE2 3.07Å; K95-E97 PolarHBondContact NZ-OE2 3.01Å
98A24.5Very low27.2Very low79 Ų79125.8 Ų125.865%0.65375%0.752SS**  cis-177.8163.7-21.900000111.2
99S22.3Very low27.4Very low100 Ų100130.5 Ų130.570%0.69975%0.753SS**  trans76.3142145.791.10000121
100L26Very low27.6Very low178 Ų178127.8 Ų127.893%0.93276%0.756SS**  trans65.4151.6149.5-62171000120
101G26.2Very low28.3Very low67 Ų67127.7 Ų127.769%0.69176%0.763SS**  trans-154.2175.9176.900000112.3
102S29.3Very low28.1Very low111 Ų111126.7 Ų126.778%0.77676%0.761SS**  trans-165.6126.7175.7-85.70000107.9
103Q28.7Very low27.2Very low173 Ų173126.4 Ų126.481%0.80877%0.768SS**  80.9160.769.7-79.6-82.47.100113.3
104V24.9Very low27.4Very low119 Ų119120.2 Ų120.272%0.72176%0.761SS**  trans77.8133.1168.2-166.80000113.6
105K25.3Very low27.3Very low186 Ų186121.6 Ų121.681%0.80976%0.76SS**  cis-153.3147.68-126.3161.9-170.9174.80112.5
106A28.3Very low27.2Very low92 Ų92118.3 Ų118.376%0.7676%0.764SS**  46.3155.2119.100000123.9
107S24.4Very low26.7Very low104 Ų104117.7 Ų117.773%0.72777%0.768SS**  cis-177.4179.8-15.9-175.40000111.6
108V25.4Very low26.7Very low109 Ų109117.1 Ų117.166%0.66177%0.774SS**  trans83.1139.1153.1-1180000124.3
109H27.5Very low26.7Very low173 Ų173120.2 Ų120.280%0.80179%0.785SS**  trans88.4121.5151.1-63.9127.4000122.7
110S32.1Very low26.8Very low115 Ų115119.6 Ų119.680%0.80479%0.786SS**  trans-104.9150.9146.1-44.70000108.9
111P39.9Very low26.7Very low126 Ų126119.6 Ų119.682%0.81878%0.781SS**  -151-168.2110.636.1-17.3000112.5
112A27.3Very low26.6Very low90 Ų90123.3 Ų123.374%0.74479%0.791SS**  -170.4166-50.200000109.6
113A25.5Very low26.4Very low109 Ų109127.1 Ų127.190%0.90179%0.793SS**  trans64.8162.9177.700000116.3
114G25.1Very low26.7Very low70 Ų70123.6 Ų123.672%0.72279%0.785SS**  cis161168.5-3.400000111.1
115T24.8Very low26.5Very low133 Ų133126 Ų12682%0.81679%0.786SS**  cis-169.7137-11.3-75.10000110.4
116A24.1Very low26.5Very low99 Ų99122.9 Ų122.982%0.81878%0.778SS**  trans65.8171.5168.400000117.2
117A24.2Very low26.2Very low96 Ų96123.2 Ų123.279%0.79378%0.781SS**  cis-150.3176.210.100000115.5
118T24.3Very low26.2Very low130 Ų130121.8 Ų121.880%0.79878%0.775SS**  trans-69.2156-175.447.40000118.8
119T25Very low26.2Very low145 Ų145125.3 Ų125.389%0.8979%0.785SS**  trans166.1141.2139.1-73.10000108.5
120A25.3Very low26.1Very low87 Ų87122.3 Ų122.372%0.71978%0.783SS**  cis-118.3-169.6-12.300000108
121E22.7Very low25.8Very low177 Ų177122.5 Ų122.583%0.82778%0.78SS**  cis78.2102.811.4-169.8153.7-137.700120.6
122T23.9Very low24.9Very low146 Ų146122 Ų12290%0.89678%0.775SS**  trans-164.2142.5133.21.80000112.7
123K26.8Very low24.7Very low190 Ų190123.8 Ų123.883%0.82678%0.776SS**  trans-110.4178.7160.1-137.6-168.8167.8-179.50105.7
124P33.7Very low24.6Very low99 Ų99124.3 Ų124.364%0.64377%0.768SS**  cis-144.8-173.8-1.442.1-21.1000117.2
125K21.4Very low24.5Very low171 Ų171127.1 Ų127.174%0.74377%0.772SS**  trans57.8133.2138.1-92.1-169.4163.4-95.70123
126D24Very low24.5Very low120 Ų120126.8 Ų126.864%0.64277%0.77SS**  42.2145.2123.4-61-30.3000122.9
127A23.8Very low24.6Very low98 Ų98128.4 Ų128.481%0.8177%0.769SS**  trans76.7149.3145.100000118.7
128A23.4Very low24.8Very low74 Ų74133.3 Ų133.361%0.61277%0.773SS**  cis-168.6174.9-20.100000110.9
129Q26.1Very low24.9Very low184 Ų184131.1 Ų131.186%0.8677%0.767SS**  trans58.7116.7146.3-75.91628.700119.7
130S24.5Very low24.7Very low109 Ų109131 Ų13176%0.76276%0.762SS**  trans-147119.1132.3-86.50000112.1
131T25.8Very low24.8Very low120 Ų120131 Ų13174%0.73676%0.762SS**  trans51.1117.6131.761.10000120.1
132T20.9Very low24.9Very low116 Ų116125.7 Ų125.771%0.71275%0.754SS**  85.511157.5-63.20000113.1
133T22.9Very low25.1Very low126 Ų126128.7 Ų128.777%0.77375%0.754SS**  trans62.315816658.10000116.6
134T23.4Very low24.9Very low120 Ų120126 Ų12674%0.73675%0.754SS**  cis-153.4177.6-64.60000106.6
135T24.4Very low24.5Very low129 Ų129126.3 Ų126.379%0.79176%0.759SS**  cis-157.2171.722.2-19.30000110.7
136T23.8Very low24.9Very low127 Ų127127.1 Ų127.178%0.77976%0.762SS**  trans-90.9163.1173.342.50000114.2
137V26.5Very low25.5Very low132 Ų132126.1 Ų126.180%0.876%0.762SS**  trans169.8111.4141.1147.70000107.6
138K27.4Very low25.7Very low200 Ų200126.1 Ų126.187%0.8776%0.762SS**  69.8136.184.9-146-166.6179.7-172.70112.5
139A27.9Very low25.8Very low83 Ų83127.2 Ų127.269%0.68677%0.771SS**  cis-133-171.15.100000109.6
140D21.2Very low26Very low144 Ų144123 Ų12377%0.7777%0.768SS**  cis-149.8133.710.8-153.9-131.7000108.1
141A26.6Very low26.2Very low87 Ų87121.9 Ų121.972%0.71977%0.765SS**  43.2142.496.100000117.5
142G24.2Very low26.2Very low64 Ų64122.3 Ų122.366%0.6677%0.767SS**  cis152.9155-14.700000114.9
143K27.5Very low26.5Very low210 Ų210123 Ų12391%0.91377%0.772SS**  trans74.3159.2173.1-54.4173.9-176.7172.70113.2
144T23.9Very low26.6Very low134 Ų134119.9 Ų119.982%0.82276%0.764SS**  cis-129.4168.425.348.10000117.2
145S25.8Very low26.7Very low105 Ų105122 Ų12273%0.73477%0.771SS**  trans-66160.2179.549.90000116.8
146K28.7Very low26.6Very low187 Ų187121.9 Ų121.981%0.81377%0.77SS**  trans1.9158.7130.1-82.3-167.679.8177.50118.3
147P37.4Very low26.7Very low100 Ų100120.6 Ų120.665%0.64977%0.766SS**  cis-147.8-165.1-2340.8-21.2000115
148A27.2Very low26.7Very low97 Ų97118.3 Ų118.380%0.80276%0.761SS**  trans80149.6145.700000117.9
149A26.6Very low26.4Very low97 Ų97117.4 Ų117.480%0.80276%0.76SS**  cis-132.1173.3-0.800000109.5
150A29.1Very low26.2Very low96 Ų96117.8 Ų117.879%0.79376%0.763SS**  cis-160.1165.44.600000107.5
151A28.3Very low26.3Very low85 Ų85119.7 Ų119.770%0.70276%0.764SS**  cis-161.9161.6-9.800000109.3
152V27.6Very low26.1Very low129 Ų129122.9 Ų122.978%0.78276%0.762SS**  trans45.8129.8139.9171.50000119.6
153T26Very low26.1Very low132 Ų132126.1 Ų126.181%0.8176%0.76SS**  cis-173.8151.6-17.536.10000105.1
154G24.3Very low26Very low60 Ų60122.2 Ų122.262%0.61975%0.749SS**  cis151158-1.100000110.8
155N25.9Very low26.2Very low164 Ų164121.6 Ų121.688%0.87775%0.745SS**  trans70.2156.1158.4-54.44.4000118.7
156V23.3Very low26.2Very low126 Ų126125.3 Ų125.376%0.76475%0.748SS**  cis-162.1140.6-41.797.50000110.5
157S25.2Very low26.2Very low101 Ų101120.6 Ų120.671%0.70674%0.744SS**  trans47.2151.5153.981.40000125.3
158A25.7Very low25.8Very low84 Ų84119.8 Ų119.869%0.69475%0.746SS**  trans88.4114.2130.500000122.6
159Q22.4Very low25.9Very low181 Ų181123.5 Ų123.585%0.84675%0.746SS**  55.696.7113.4-165.6175.6-9.900121.3
160A23Very low25.8Very low90 Ų90124.5 Ų124.574%0.74474%0.743SS**  71.8145.7126.400000123.8
161K22.9Very low25.8Very low184 Ų184129 Ų12980%0.874%0.744SS**  trans84.2130.9144.4-129.7-173.5-174.1178.50119
162K23.8Very low26.1Very low154 Ų154130.3 Ų130.367%0.6774%0.744SS**  trans68.6152.3155.2-86.4-174.4174.6-79.90116.2
163E23.4Very low26Very low132 Ų132133.3 Ų133.362%0.61775%0.749SS**  cis-158145.7-10-171.7124.879.700110
164D26.6Very low26.5Very low129 Ų129133 Ų13369%0.6975%0.747SS**  trans55.8143.7151.6-99.2-55.3000125.7
165T26.2Very low26.6Very low121 Ų121139 Ų13974%0.74276%0.759SS**  trans60.5155.2148.554.50000120.9
166K27.4Very low27.1Very low183 Ų183136.5 Ų136.580%0.79675%0.749SS**  cis-176.1141.3-23.5161.5170.9161.9-75.30108.5
167A28.6Very low27.4Very low88 Ų88136 Ų13673%0.72775%0.749SS**  trans65.3162.2164.500000117
168A28.6Very low28.3Very low82 Ų82136 Ų13668%0.67875%0.746SS**  cis-168.5169.5-3200000110.4
169Q29.6Very low28.5Very low175 Ų175138.1 Ų138.182%0.81875%0.751SS**  trans68.2117.7149.6-78.3-179.324.100120.8
170T24.6Very low28.8Very low119 Ų119136.1 Ų136.173%0.7375%0.751SS**  67.8116.5118.5-47.70000119.2
171K29.3Very low29.7Very low189 Ų189136.2 Ų136.282%0.82275%0.752SS**  167.5128.497-159.5162.6-178.6177.40114
172V32.8Very low29.9Very low114 Ų114136.6 Ų136.669%0.69175%0.753SS**  trans-11.3130151.6179.80000117.5
173Q26.4Very low30.6Very low192 Ų192133.9 Ų133.990%0.89776%0.76SS**  -154158.7126.4-114.3153.1120.200113.1
174V37.2Very low31Very low125 Ų125133 Ų13376%0.75876%0.764SS**  trans-114137.4-175.1168.50000108.3V176V174-V176 HydrophobicContact CG1-CG2 4.22Å
175E24.9Very low32Very low185 Ų185132.2 Ų132.286%0.86478%0.775SS**  trans-141.1136.8163-163.3169.2161.400110.2
176V36.2Very low33Very low112 Ų112130.5 Ų130.568%0.67977%0.773SS**  trans-143122.3-176.6174.70000109.6V174V174-V176 HydrophobicContact CG1-CG2 4.22Å
177P30.6Very low34Very low116 Ų116131.8 Ų131.875%0.75378%0.779SS**  trans-97.3149.7156.7-8.228000111.6
178P44.3Very low35.3Very low100 Ų100134.8 Ų134.865%0.64978%0.778SS**  trans-133.4178.5-150.638.7-19.9000116.9
179T30.7Very low37.4Very low130 Ų130134.5 Ų134.580%0.79877%0.765SS**  trans68157.1159.135.40000117
180T28.6Very low39.6Very low138 Ų138130.3 Ų130.385%0.84775%0.753SS**  cis-134.7151.924.8-53.20000112.9
181A40.7Very low42.1Very low93 Ų93132.2 Ų132.277%0.76975%0.751SS**  trans-85157.8-175.100000114.6
182K26.7Very low44.3Very low191 Ų191128.6 Ų128.683%0.8374%0.741SS**  trans-140.9113.8148.6-171.2173.1-176177.90110
183A39.7Very low46.6Very low98 Ų98125 Ų12581%0.8172%0.719SS**  trans-80.2132.4172.600000110.5
184T30.8Very low49.1Very low114 Ų114120.7 Ų120.770%0.69970%0.702SS**  trans-137.1119.5162.446.70000107.7A186T184-A186 VanDerWaalsContact C-N 3.31Å; T184-A186 PolarHBondContact O-N 3.31Å
185A48.1Very low51Low111 Ų111118.4 Ų118.492%0.91769%0.691SS**  trans-71.587.1177.700000110.1
186A46.7Very low53.2Low86 Ų86113.9 Ų113.971%0.71168%0.68SS**  trans-67.9138.4166.300000108.9T184 Q188T184-A186 VanDerWaalsContact C-N 3.31Å; T184-A186 PolarHBondContact O-N 3.31Å; A186-Q188 PolarHBondContact O-N 2.88Å; A186-Q188 VanDerWaalsContact O-N 3.08Å
187K49.9Very low55.2Low210 Ų210115.7 Ų115.791%0.91368%0.683SS**  trans-62.5114170.6-66.8179.6-179.5178.80107.6D189K187-D189 PolarHBondContact O-N 2.81Å; K187-D189 VanDerWaalsContact O-N 3.12Å
188Q54.3Low57.4Low151 Ų151115.9 Ų115.971%0.70668%0.677SS**  trans-69109.9172.5-165.8-179.2-36.400107.5A186 T193A186-Q188 PolarHBondContact O-N 2.88Å; A186-Q188 VanDerWaalsContact O-N 3.08Å; Q188-T193 WeakPolarHBondContact CG-OG1 3.49Å; Q188-T193 PolarHBondContact NE2-OG1 3.32Å
189D73.3Confident58.7Low76 Ų76116.8 Ų116.841%0.40668%0.683SS.*  trans-63.4126-179.8167.826.8000109.5K187 F191 N192 T193K187-D189 PolarHBondContact O-N 2.81Å; K187-D189 VanDerWaalsContact O-N 3.12Å; D189-F191 PolarHBondContact O-N 3.35Å; D189-F191 PolarHBondContact OD1-N 2.99Å; D189-N192 HydrophobicContact CB-CB 3.92Å; D189-N192 PolarHBondContact O-N 2.69Å; D189-N192 PolarHBondContact OD2-N 2.95Å; D189-T193 PolarHBondContact O-N 2.91Å; D189-T193 PolarHBondContact O-OG1 3.19Å
190P76.2Confident60.2Low87 Ų87115.3 Ų115.357%0.56568%0.678SS**Hα-helixtrans-59.8-32176.124.4-34.8000112.3T193 L194P190-T193 PolarHBondContact O-N 2.85Å; P190-L194 WeakPolarHBondContact O-CB 3.29Å; P190-L194 VanDerWaalsContact O-CG 3.29Å; P190-L194 WeakPolarHBondContact O-CG 3.43Å; P190-L194 PolarHBondContact O-N 3.14Å
191F76.6Confident61.6Low159 Ų159113.9 Ų113.970%0.69768%0.68SS**Hα-helixtrans-70.9-43.7176.6-79.9-83.2000112.3D189 T193 L194 S195D189-F191 PolarHBondContact O-N 3.35Å; D189-F191 PolarHBondContact OD1-N 2.99Å; F191-T193 VanDerWaalsContact C-N 3.28Å; F191-T193 PolarHBondContact O-N 3.19Å; F191-L194 PolarHBondContact O-N 3.32Å; F191-S195 WeakPolarHBondContact O-CB 3.47Å; F191-S195 PolarHBondContact O-N 3.12Å
192N76.1Confident62.2Low112 Ų112116.1 Ų116.160%0.59968%0.679SS**Hα-helixtrans-63.5-35.1173.1-158.5-3.2000112D189 S195 S196D189-N192 HydrophobicContact CB-CB 3.92Å; D189-N192 PolarHBondContact O-N 2.69Å; D189-N192 PolarHBondContact OD2-N 2.95Å; N192-S195 WeakPolarHBondContact O-CB 3.46Å; N192-S195 PolarHBondContact O-N 3.44Å; N192-S196 PolarHBondContact O-N 3.47Å
193T81.6Confident63.2Low39 Ų39111.6 Ų111.624%0.23967%0.672CS.*Hα-helixtrans-64.9-46.9173.1-50.30000111.5Q188 D189 P190 F191 S195 S196 M197Q188-T193 WeakPolarHBondContact CG-OG1 3.49Å; Q188-T193 PolarHBondContact NE2-OG1 3.32Å; D189-T193 PolarHBondContact O-N 2.91Å; D189-T193 PolarHBondContact O-OG1 3.19Å; P190-T193 PolarHBondContact O-N 2.85Å; F191-T193 VanDerWaalsContact C-N 3.28Å; F191-T193 PolarHBondContact O-N 3.19Å; T193-S195 VanDerWaalsContact C-N 3.31Å; T193-S195 PolarHBondContact O-N 2.97Å; T193-S196 PolarHBondContact O-N 3.4Å; T193-S196 VanDerWaalsContact O-N 3.12Å; T193-S196 PolarHBondContact O-OG 2.9Å; T193-M197 PolarHBondContact O-N 3.26Å; T193-M197 VanDerWaalsContact O-N 3.14Å
194L77.7Confident63.8Low102 Ų102114.1 Ų114.153%0.53468%0.677SS.*Hα-helixtrans-60.9-39.8173.4-75166.2000111.8P190 F191 S196 M197 L198P190-L194 WeakPolarHBondContact O-CB 3.29Å; P190-L194 VanDerWaalsContact O-CG 3.29Å; P190-L194 WeakPolarHBondContact O-CG 3.43Å; P190-L194 PolarHBondContact O-N 3.14Å; F191-L194 PolarHBondContact O-N 3.32Å; L194-S196 PolarHBondContact O-N 3.28Å; L194-M197 CarbonylContact O-C 3.43Å; L194-M197 WeakPolarHBondContact O-CA 3.25Å; L194-M197 PolarHBondContact O-N 3.31Å; L194-L198 PolarHBondContact O-N 3.24Å
195S76.9Confident65.1Low76 Ų76111.2 Ų111.253%0.53167%0.665SS.*Hα-helixtrans-61.8-31.5175-1660000112.6F191 N192 T193 M197F191-S195 WeakPolarHBondContact O-CB 3.47Å; F191-S195 PolarHBondContact O-N 3.12Å; N192-S195 WeakPolarHBondContact O-CB 3.46Å; N192-S195 PolarHBondContact O-N 3.44Å; T193-S195 VanDerWaalsContact C-N 3.31Å; T193-S195 PolarHBondContact O-N 2.97Å; S195-M197 VanDerWaalsContact C-N 3.35Å
196S71.6Confident65.4Low91 Ų91111.4 Ų111.464%0.63666%0.656SS**Hα-helixtrans-81-10.2172.172.60000114.7N192 T193 L194N192-S196 PolarHBondContact O-N 3.47Å; T193-S196 PolarHBondContact O-N 3.4Å; T193-S196 VanDerWaalsContact O-N 3.12Å; T193-S196 PolarHBondContact O-OG 2.9Å; L194-S196 PolarHBondContact O-N 3.28Å
197M78.3Confident66.1Low149 Ų149113 Ų11373%0.73466%0.662SS**Hα-helixtrans-98.1-14.4172.9-69.2-17270.800113.2T193 L194 S195T193-M197 PolarHBondContact O-N 3.26Å; T193-M197 VanDerWaalsContact O-N 3.14Å; L194-M197 CarbonylContact O-C 3.43Å; L194-M197 WeakPolarHBondContact O-CA 3.25Å; L194-M197 PolarHBondContact O-N 3.31Å; S195-M197 VanDerWaalsContact C-N 3.35Å
198L77.3Confident66.8Low120 Ų120113.6 Ų113.663%0.62866%0.659SS**SBendtrans-69134.9164.3-65.5177.6000108.8L194 S200L194-L198 PolarHBondContact O-N 3.24Å; L198-S200 PolarHBondContact O-N 3.26Å
199P71.4Confident67.5Low119 Ų119112.2 Ų112.277%0.77366%0.663SS**PPolyproline II helixtrans-60.1133.4168.627.2-33.1000108.6A201P199-A201 PolarHBondContact O-N 2.86Å
200S60.9Low67.4Low100 Ų100112.7 Ų112.770%0.69968%0.677SS**PPolyproline II helixtrans-57.1141.3176.8-67.70000110L198 D202L198-S200 PolarHBondContact O-N 3.26Å; S200-D202 PolarHBondContact O-N 3.34Å
201A58.9Low67Low107 Ų107116.6 Ų116.688%0.88468%0.682SS**  trans-73.126-174.600000114.2P199 S203P199-A201 PolarHBondContact O-N 2.86Å; A201-S203 PolarHBondContact O-N 2.71Å
202D52.8Low66.8Low140 Ų140115.6 Ų115.675%0.74969%0.689SS**SBendtrans-69.481.2166.2-75.5-39.5000109.1S200 V204S200-D202 PolarHBondContact O-N 3.34Å; D202-V204 PolarHBondContact O-N 3.04Å; D202-V204 VanDerWaalsContact O-N 3.14Å
203S48Very low66.8Low96 Ų96111.7 Ų111.767%0.67168%0.675SS**  trans7.291.6161.4-167.10000115.3A201 A205A201-S203 PolarHBondContact O-N 2.71Å; S203-A205 PolarHBondContact O-N 3.27Å
204V52.7Low66.5Low151 Ų151115.2 Ų115.292%0.91570%0.699SS**  trans-7549.6163-165.70000109.7D202D202-V204 PolarHBondContact O-N 3.04Å; D202-V204 VanDerWaalsContact O-N 3.14Å
205A58.6Low66.4Low54 Ų54118.7 Ų118.745%0.44671%0.712SS.*  trans-72.6135.1152.500000107S203 S207S203-A205 PolarHBondContact O-N 3.27Å; A205-S207 PolarHBondContact O-N 2.94Å
206P54.2Low66.2Low115 Ų115120 Ų12075%0.74772%0.717SS**  trans-57.2134172.325.2-33.4000108.7R208P206-R208 PolarHBondContact O-N 2.8Å
207S61.1Low66.2Low118 Ų118119.8 Ų119.883%0.82571%0.711SS**  trans-51.5103.7-178.2177.10000109.8A205A205-S207 PolarHBondContact O-N 2.94Å
208R65.1Low65.8Low224 Ų224120.2 Ų120.285%0.84571%0.712SS**PPolyproline II helixtrans-59.8126.5176.6-67.5-174.1179-167.6-0.5107.2P206 A210P206-R208 PolarHBondContact O-N 2.8Å; R208-A210 PolarHBondContact O-N 3.29Å
209P67.6Low65Low122 Ų122122.4 Ų122.479%0.79272%0.718SS**PPolyproline II helixtrans-57.8127.6-178.523.2-32.9000108.7Y211P209-Y211 PolarHBondContact O-N 2.82Å
210A72.1Confident64.7Low85 Ų85121 Ų12170%0.70271%0.707SS**PPolyproline II helixtrans-57.4128.3179.600000109.1R208 T212R208-A210 PolarHBondContact O-N 3.29Å; A210-T212 PolarHBondContact O-N 2.85Å; A210-T212 PolarHBondContact O-OG1 3.49Å
211Y66.9Low64.7Low169 Ų169122.4 Ų122.466%0.66371%0.712SS**  trans-65.999-177.2-177.6-95.9000109.4P209 G213P209-Y211 PolarHBondContact O-N 2.82Å; Y211-G213 WeakPolarHBondContact CE1-O 3.41Å; Y211-G213 PolarHBondContact O-N 2.94Å
212T73.1Confident65.1Low139 Ų139126.3 Ų126.385%0.85371%0.709SS**  trans-93.117.6-177.1-42.40000111A210A210-T212 PolarHBondContact O-N 2.85Å; A210-T212 PolarHBondContact O-OG1 3.49Å
213G76.9Confident66Low30 Ų30127.9 Ų127.931%0.30971%0.712SS.*SBendtrans-83.1157.5169.700000111.2Y211Y211-G213 WeakPolarHBondContact CE1-O 3.41Å; Y211-G213 PolarHBondContact O-N 2.94Å
214P75.1Confident67.2Low113 Ų113130.8 Ų130.873%0.73471%0.712SS**  trans-56.5143.1163.9-20.132.7000110.4V216P214-V216 PolarHBondContact O-N 3.14Å; P214-V216 VanDerWaalsContact O-N 3.1Å
215E75.5Confident68.3Low174 Ų174128.8 Ų128.881%0.81370%0.701SS**  trans-61.5113.9176.7-172.8174.7179.600110.2V217E215-V217 VanDerWaalsContact C-N 3.31Å; E215-V217 HydrophobicContact CG-CG2 4.32Å; E215-V217 PolarHBondContact O-N 2.83Å
216V71.6Confident69.3Low104 Ų104132.3 Ų132.363%0.6372%0.716SS**  trans-79.582.7-177.2-176.30000109.4P214 E218P214-V216 PolarHBondContact O-N 3.14Å; P214-V216 VanDerWaalsContact O-N 3.1Å; V216-E218 PolarHBondContact O-N 3.25Å
217V72.1Confident70.4Confident86 Ų86133.6 Ų133.652%0.52171%0.71SS.*  trans-73.1108.3169.4-179.20000108.6E215 H219E215-V217 VanDerWaalsContact C-N 3.31Å; E215-V217 HydrophobicContact CG-CG2 4.32Å; E215-V217 PolarHBondContact O-N 2.83Å; V217-H219 PolarHBondContact O-N 2.83Å
218E70.6Confident71.1Confident159 Ų159134.1 Ų134.174%0.74371%0.713SS**  trans-68.899.1176.6-66.9-168.9164.800110.8V216 V220V216-E218 PolarHBondContact O-N 3.25Å; E218-V220 VanDerWaalsContact C-N 3.26Å; E218-V220 HydrophobicContact CB-CG2 4.3Å; E218-V220 PolarHBondContact O-N 3.11Å
219H60.5Low71.9Confident165 Ų165125.8 Ų125.876%0.76470%0.696SS**  trans-73.976.2174.6-71.8-64.8000111.6V217 T221V217-H219 PolarHBondContact O-N 2.83Å; H219-T221 PolarHBondContact O-N 3.29Å
220V63.9Low72.8Confident89 Ų89125 Ų12554%0.53968%0.682SS.*  trans-72.194.5177.6-172.10000110.8E218 F222E218-V220 VanDerWaalsContact C-N 3.26Å; E218-V220 HydrophobicContact CB-CG2 4.3Å; E218-V220 PolarHBondContact O-N 3.11Å; V220-F222 HydrophobicContact CB-CE2 4.19Å; V220-F222 HydrophobicContact CB-CZ 4.49Å; V220-F222 HydrophobicContact CG1-CD1 4.46Å; V220-F222 HydrophobicContact CG1-CD2 4.08Å; V220-F222 HydrophobicContact CG1-CE1 3.98Å; V220-F222 HydrophobicContact CG1-CE2 3.55Å; V220-F222 HydrophobicContact CG1-CZ 3.5Å; V220-F222 VanDerWaalsContact CG1-CZ 3.5Å; V220-F222 PolarHBondContact O-N 3.29Å
221T60.8Low73.6Confident131 Ų131128.4 Ų128.480%0.80468%0.676SS**  trans-83.1103.5173.753.50000111H219 E223H219-T221 PolarHBondContact O-N 3.29Å; T221-E223 PolarHBondContact O-N 3.01Å
222F68.1Low74.3Confident188 Ų188123.1 Ų123.183%0.82566%0.659SS**  trans-79.2107174.6-66.6-81.4000111.6V220 K224V220-F222 HydrophobicContact CB-CE2 4.19Å; V220-F222 HydrophobicContact CB-CZ 4.49Å; V220-F222 HydrophobicContact CG1-CD1 4.46Å; V220-F222 HydrophobicContact CG1-CD2 4.08Å; V220-F222 HydrophobicContact CG1-CE1 3.98Å; V220-F222 HydrophobicContact CG1-CE2 3.55Å; V220-F222 HydrophobicContact CG1-CZ 3.5Å; V220-F222 VanDerWaalsContact CG1-CZ 3.5Å; V220-F222 PolarHBondContact O-N 3.29Å; F222-K224 PolarHBondContact O-N 3.05Å
223E72Confident74.7Confident174 Ų174119.8 Ų119.881%0.81364%0.637SS**  trans-80.3113.5171.8-172.4171.7-173.400110.6T221 V225T221-E223 PolarHBondContact O-N 3.01Å; E223-V225 VanDerWaalsContact C-N 3.33Å; E223-V225 PolarHBondContact O-N 3.35Å
224K73.4Confident75.3Confident156 Ų156122.1 Ų122.168%0.67865%0.645SS**  trans-75.586.3173.3-169.6-165173.4-1670109.6F222 V226 E230F222-K224 PolarHBondContact O-N 3.05Å; K224-V226 PolarHBondContact O-N 3.47Å; K224-E230 IonicContact NZ-OE1 2.89Å; K224-E230 PolarHBondContact NZ-OE1 3.13Å; K224-E230 IonicContact NZ-OE2 4Å
225V74.4Confident75.8Confident110 Ų110119.7 Ų119.767%0.66763%0.625SS**  trans-52.4134.2172.7-175.10000110.5E223 K227E223-V225 VanDerWaalsContact C-N 3.33Å; E223-V225 PolarHBondContact O-N 3.35Å; V225-K227 PolarHBondContact O-N 2.73Å
226V80Confident76.3Confident128 Ų128115.1 Ų115.178%0.77661%0.611SS**  trans-68.1119.8179.9179.90000109.9K224 C228K224-V226 PolarHBondContact O-N 3.47Å; V226-C228 PolarHBondContact O-N 3.12Å
227K78.4Confident76.8Confident141 Ų141115.1 Ų115.161%0.61361%0.613SS**  trans-82.5115.1176-59.8-171-160.4162.40110.4V225 G229 E230V225-K227 PolarHBondContact O-N 2.73Å; K227-G229 PolarHBondContact O-N 3.06Å; K227-E230 HydrophobicContact CB-CB 3.96Å; K227-E230 VanDerWaalsContact CD-OE2 3.25Å; K227-E230 WeakPolarHBondContact CD-OE2 3.48Å; K227-E230 IonicContact NZ-OE2 3.66Å; K227-E230 WeakPolarHBondContact O-CB 3.37Å; K227-E230 PolarHBondContact O-N 3Å
228C75.8Confident77.2Confident130 Ų130113.6 Ų113.688%0.87862%0.615SS**THydrogen-bonded Turntrans-59.3131.1167.4-61.60000108.9V226V226-C228 PolarHBondContact O-N 3.12Å
229G81.3Confident77.6Confident48 Ų48114.5 Ų114.550%0.49561%0.613SS.*THydrogen-bonded Turntrans90.8-7.9-175.100000116.2K227 R231 T234K227-G229 PolarHBondContact O-N 3.06Å; G229-R231 PolarHBondContact O-N 3.28Å; G229-T234 VanDerWaalsContact CA-OG1 3.24Å; G229-T234 WeakPolarHBondContact CA-OG1 3.34Å; G229-T234 PolarHBondContact N-OG1 2.91Å
230E86.7Confident79Confident106 Ų106110.4 Ų110.450%0.49559%0.591SS.*  trans-73.5-13.3178.2-175.3171.3140.500112.9K224 K227K224-E230 IonicContact NZ-OE1 2.89Å; K224-E230 PolarHBondContact NZ-OE1 3.13Å; K224-E230 IonicContact NZ-OE2 4Å; K227-E230 HydrophobicContact CB-CB 3.96Å; K227-E230 VanDerWaalsContact CD-OE2 3.25Å; K227-E230 WeakPolarHBondContact CD-OE2 3.48Å; K227-E230 IonicContact NZ-OE2 3.66Å; K227-E230 WeakPolarHBondContact O-CB 3.37Å; K227-E230 PolarHBondContact O-N 3Å
231R87.6Confident79.6Confident156 Ų156116 Ų11659%0.58960%0.602SS**SBendtrans-107.9137.1178.7-67.3173.750.382.1-3.3111.9G229 D233 T234G229-R231 PolarHBondContact O-N 3.28Å; R231-D233 WeakPolarHBondContact CB-OD1 3.4Å; R231-D233 IonicContact CZ-OD1 3Å; R231-D233 VanDerWaalsContact CZ-OD1 3.29Å; R231-D233 IonicContact CZ-OD2 3Å; R231-D233 IonicContact NE-OD1 2.75Å; R231-D233 PolarHBondContact NE-OD1 3.13Å; R231-D233 IonicContact NE-OD2 3.14Å; R231-D233 IonicContact NH2-OD1 2.71Å; R231-D233 PolarHBondContact NH2-OD1 3.1Å; R231-D233 IonicContact NH2-OD2 3.04Å; R231-D233 PolarHBondContact NH2-OD2 3.21Å; R231-D233 PolarHBondContact O-N 3.09Å; R231-T234 HydrophobicContact CB-CG2 4.23Å; R231-T234 WeakPolarHBondContact O-CB 3.41Å; R231-T234 PolarHBondContact O-N 3Å; R231-T234 PolarHBondContact O-OG1 3.28Å
232D83.4Confident80.4Confident58 Ų58112.1 Ų112.131%0.3159%0.588SS.*G310 helixtrans-55.3-35.2175.3-170.356.8000112.8T234 L235 R240 W241D232-T234 PolarHBondContact O-N 3.43Å; D232-L235 VanDerWaalsContact O-CB 3.29Å; D232-L235 WeakPolarHBondContact O-CB 3.23Å; D232-L235 PolarHBondContact O-N 3.35Å; D232-R240 WeakPolarHBondContact O-CG 3.32Å; D232-R240 VanDerWaalsContact OD1-CA 3.29Å; D232-R240 WeakPolarHBondContact OD1-CA 3.44Å; D232-R240 WeakPolarHBondContact OD2-CB 3.42Å; D232-W241 PolarHBondContact OD1-N 2.86Å; D232-W241 PolarHBondContact OD2-N 3Å
233D81.5Confident80.7Confident70 Ų70106.7 Ų106.737%0.37457%0.567SS.*G310 helixtrans-71.6-14175.876.1-27.2000114.8R231 L235 R240R231-D233 WeakPolarHBondContact CB-OD1 3.4Å; R231-D233 IonicContact CZ-OD1 3Å; R231-D233 VanDerWaalsContact CZ-OD1 3.29Å; R231-D233 IonicContact CZ-OD2 3Å; R231-D233 IonicContact NE-OD1 2.75Å; R231-D233 PolarHBondContact NE-OD1 3.13Å; R231-D233 IonicContact NE-OD2 3.14Å; R231-D233 IonicContact NH2-OD1 2.71Å; R231-D233 PolarHBondContact NH2-OD1 3.1Å; R231-D233 IonicContact NH2-OD2 3.04Å; R231-D233 PolarHBondContact NH2-OD2 3.21Å; R231-D233 PolarHBondContact O-N 3.09Å; D233-L235 VanDerWaalsContact C-N 3.27Å; D233-R240 PolarHBondContact O-NH2 3.48Å
234T88.4Confident80.3Confident79 Ų79105.9 Ų105.949%0.48557%0.566SS.*G310 helixtrans-82.7-6169.862.60000112.7G229 R231 D232G229-T234 VanDerWaalsContact CA-OG1 3.24Å; G229-T234 WeakPolarHBondContact CA-OG1 3.34Å; G229-T234 PolarHBondContact N-OG1 2.91Å; R231-T234 HydrophobicContact CB-CG2 4.23Å; R231-T234 WeakPolarHBondContact O-CB 3.41Å; R231-T234 PolarHBondContact O-N 3Å; R231-T234 PolarHBondContact O-OG1 3.28Å; D232-T234 PolarHBondContact O-N 3.43Å
235L86.8Confident79.9Confident61 Ų61106.4 Ų106.432%0.31957%0.571SS.*SBendtrans-80.3146.7166.1-54.3178.9000110.5D232 D233 Y239 R240D232-L235 VanDerWaalsContact O-CB 3.29Å; D232-L235 WeakPolarHBondContact O-CB 3.23Å; D232-L235 PolarHBondContact O-N 3.35Å; D233-L235 VanDerWaalsContact C-N 3.27Å; L235-Y239 WeakPolarHBondContact CD1-O 3.36Å; L235-R240 HydrophobicContact CB-CG 4.24Å; L235-R240 PolarHBondContact O-NE 3.36Å
236P85.2Confident78.9Confident79 Ų79111.3 Ų111.351%0.51358%0.579SS.*PPolyproline II helixtrans-58.5147.2174.3-22.733.4000112G238 Y239P236-G238 PolarHBondContact O-N 3.43Å; P236-Y239 HydrophobicContact CB-CD2 4.2Å; P236-Y239 WeakPolarHBondContact O-CB 3.41Å; P236-Y239 PolarHBondContact O-N 2.83Å
237P81.4Confident77.5Confident103 Ų103110.7 Ų110.767%0.66958%0.575SS**THydrogen-bonded Turntrans-52.9135.8170.2-25.635.2000111.6D243P237-D243 WeakPolarHBondContact CA-OD2 3.4Å
238G81.3Confident76.2Confident55 Ų55108.6 Ų108.657%0.56758%0.576SS**THydrogen-bonded Turntrans91.1-11.2-170.600000114.8P236 D243P236-G238 PolarHBondContact O-N 3.43Å; G238-D243 PolarHBondContact N-OD2 3.01Å
239Y79.1Confident74.9Confident177 Ų177108.6 Ų108.669%0.69457%0.574SS**SBendtrans-115-4.3174.8-68.5-92.3000113.4L235 P236L235-Y239 WeakPolarHBondContact CD1-O 3.36Å; P236-Y239 HydrophobicContact CB-CD2 4.2Å; P236-Y239 WeakPolarHBondContact O-CB 3.41Å; P236-Y239 PolarHBondContact O-N 2.83Å
240R88.6Confident73Confident80 Ų80110.4 Ų110.430%0.30258%0.584SS.*SBendtrans-73.5145173.5-51.7-175.7168.1178.7-7.8109.6D232 D233 L235 G242 D243 M244D232-R240 WeakPolarHBondContact O-CG 3.32Å; D232-R240 VanDerWaalsContact OD1-CA 3.29Å; D232-R240 WeakPolarHBondContact OD1-CA 3.44Å; D232-R240 WeakPolarHBondContact OD2-CB 3.42Å; D233-R240 PolarHBondContact O-NH2 3.48Å; L235-R240 HydrophobicContact CB-CG 4.24Å; L235-R240 PolarHBondContact O-NE 3.36Å; R240-G242 PolarHBondContact O-N 3.19Å; R240-D243 HydrophobicContact CB-CB 4.34Å; R240-D243 VanDerWaalsContact CB-OD2 3.32Å; R240-D243 WeakPolarHBondContact CB-OD2 3.49Å; R240-D243 WeakPolarHBondContact CG-OD2 3.45Å; R240-D243 PolarHBondContact O-N 2.89Å; R240-M244 PolarHBondContact O-N 3.23Å
241W77.1Confident70.7Confident207 Ų207111.5 Ų111.578%0.78460%0.601SS**THydrogen-bonded Turntrans-61.6-32.6-179-62.3-21.8000112.5D232 M244D232-W241 PolarHBondContact OD1-N 2.86Å; D232-W241 PolarHBondContact OD2-N 3Å; W241-M244 PolarHBondContact O-N 3.07Å
242G77.3Confident68.7Low49 Ų49110.9 Ų110.951%0.50561%0.614SS.*THydrogen-bonded Turntrans-69.9-26.3173.200000114.9R240 M244R240-G242 PolarHBondContact O-N 3.19Å; G242-M244 VanDerWaalsContact C-N 3.27Å; G242-M244 PolarHBondContact O-N 3.07Å
243D74.5Confident66.9Low73 Ų73115.5 Ų115.539%0.3964%0.639SS.*G310 helixtrans-76-20.4177.2-62.5-30.9000111.6P237 G238 R240 E245P237-D243 WeakPolarHBondContact CA-OD2 3.4Å; G238-D243 PolarHBondContact N-OD2 3.01Å; R240-D243 HydrophobicContact CB-CB 4.34Å; R240-D243 VanDerWaalsContact CB-OD2 3.32Å; R240-D243 WeakPolarHBondContact CB-OD2 3.49Å; R240-D243 WeakPolarHBondContact CG-OD2 3.45Å; R240-D243 PolarHBondContact O-N 2.89Å; D243-E245 VanDerWaalsContact C-N 3.33Å
244M64.5Low64.8Low157 Ų157116.7 Ų116.777%0.77366%0.659SS**G310 helixtrans-81.6-9.9179.2-159.2171.2-177.500113.2R240 W241 G242R240-M244 PolarHBondContact O-N 3.23Å; W241-M244 PolarHBondContact O-N 3.07Å; G242-M244 VanDerWaalsContact C-N 3.27Å; G242-M244 PolarHBondContact O-N 3.07Å
245E63.6Low62.6Low168 Ų168122 Ų12279%0.78568%0.675SS**G310 helixtrans-85.6-13-178.8-166.1166.5-164.300113.4D243 V247D243-E245 VanDerWaalsContact C-N 3.33Å; E245-V247 PolarHBondContact O-N 3.38Å
246Y54.7Low60.5Low212 Ų212124.8 Ų124.883%0.83170%0.697SS**  trans-79.356.4175.8-159.6-98.6000113.1
247V50.7Low58.7Low116 Ų116130.2 Ų130.270%0.70371%0.712SS**  trans-101.1113.3164.6-178.90000107.7E245E245-V247 PolarHBondContact O-N 3.38Å
248P50.6Low57.3Low97 Ų97133.2 Ų133.263%0.6372%0.723SS**PPolyproline II helixtrans-63.6139.2-179.826-33.8000110.7A250P248-A250 PolarHBondContact O-N 3.25Å
249P48Very low56Low130 Ų130136 Ų13684%0.84473%0.729SS**PPolyproline II helixtrans-66.5122.5-171.725.6-34.3000111.8
250A41.3Very low54.9Low85 Ų85133 Ų13370%0.70273%0.731SS**PPolyproline II helixtrans-67.6144.9175.500000111.5P248P248-A250 PolarHBondContact O-N 3.25Å
251P39.9Very low53.8Low130 Ų130138.4 Ų138.484%0.84476%0.757SS**PPolyproline II helixtrans-69.9137.8-174.228-35.3000112.7D253P251-D253 PolarHBondContact O-N 2.67Å
252T45.3Very low52.9Low143 Ų143134.1 Ų134.188%0.87776%0.756SS**SBendtrans-85.888-176.553.60000112.9
253D44.3Very low52.3Low155 Ų155137.5 Ų137.583%0.82976%0.761SS**  trans-160.4108141.1-146.2-26.2000113.4P251P251-D253 PolarHBondContact O-N 2.67Å
254A38.8Very low52.2Low95 Ų95136.8 Ų136.879%0.78576%0.762SS**  trans-160.6100.3165.900000110.7
255K41.1Very low52.6Low189 Ų189134.5 Ų134.582%0.82276%0.757SS**PPolyproline II helixtrans-55.7132.2174.8-174.5177.2-176.2175.20111.2K257K255-K257 PolarHBondContact O-N 2.64Å
256P43Very low53.2Low121 Ų121132.1 Ų132.179%0.78675%0.75SS**PPolyproline II helixtrans-62.6134.8-178.825.3-34.3000111.1
257K47.3Very low54.3Low192 Ų192127 Ų12784%0.83573%0.733SS**PPolyproline II helixtrans-80.9143.2165.2-72.6178179.4172.60108.7K255 V259K255-K257 PolarHBondContact O-N 2.64Å; K257-V259 PolarHBondContact O-N 2.88Å; K257-V259 VanDerWaalsContact O-N 3.17Å
258D51.6Low55.7Low166 Ų166123.5 Ų123.589%0.88872%0.717SS**  trans-66.9111177.3-165.616.6000109.5
259V54.2Low57.3Low114 Ų114123.7 Ų123.769%0.69171%0.712SS**PPolyproline II helixtrans-103128.5175176.20000106.3K257 K261K257-V259 PolarHBondContact O-N 2.88Å; K257-V259 VanDerWaalsContact O-N 3.17Å; V259-K261 PolarHBondContact O-N 2.82Å
260P56.3Low58.6Low115 Ų115122.3 Ų122.375%0.74770%0.698SS**PPolyproline II helixtrans-55.3132.4-179.823.3-33.8000110.1
261K65.6Low60.4Low192 Ų192122 Ų12284%0.83569%0.691SS**PPolyproline II helixtrans-50.3133.4-174.1-163.1174.9-173.6178.90110.2V259 L263V259-K261 PolarHBondContact O-N 2.82Å; K261-L263 PolarHBondContact O-N 3.41Å
262P58.6Low62.2Low118 Ų118121.8 Ų121.877%0.76668%0.682SS**PPolyproline II helixtrans-56.8136.7175.124.7-33.8000109.3
263L65.4Low63.7Low119 Ų119118.4 Ų118.462%0.62366%0.664SS**PPolyproline II helixtrans-50.4139.3-173.4-60.2171.4000110.7K261 E267K261-L263 PolarHBondContact O-N 3.41Å; L263-E267 HydrophobicContact CB-CB 4.48Å; L263-E267 HydrophobicContact CD2-CG 4.22Å
264S72.1Confident64.9Low59 Ų59117.7 Ų117.741%0.41366%0.657SS.*PPolyproline II helixtrans-60.2150.2175-171.20000109.9D266 E267 A268S264-D266 PolarHBondContact O-N 3.35Å; S264-D266 PolarHBondContact OG-N 3.3Å; S264-D266 PolarHBondContact OG-OD2 3.44Å; S264-E267 PolarHBondContact N-OE2 3.12Å; S264-E267 WeakPolarHBondContact O-CB 3.49Å; S264-E267 PolarHBondContact O-N 3.32Å; S264-A268 PolarHBondContact O-N 3.02Å
265T72.2Confident66.5Low108 Ų108116.4 Ų116.466%0.66365%0.653SS**Hα-helixtrans-56-34.1171.3-470000111L269T265-L269 HydrophobicContact CG2-CD1 4.39Å; T265-L269 WeakPolarHBondContact O-CB 3.4Å; T265-L269 VanDerWaalsContact O-CG 3.23Å; T265-L269 WeakPolarHBondContact O-CG 3.47Å; T265-L269 PolarHBondContact O-N 3.01Å
266D75.4Confident67.4Low119 Ų119115 Ų11564%0.63665%0.647SS**Hα-helixtrans-65.2-35.6173.6-56.3-53.3000113.2S264 L269 D270S264-D266 PolarHBondContact O-N 3.35Å; S264-D266 PolarHBondContact OG-N 3.3Å; S264-D266 PolarHBondContact OG-OD2 3.44Å; D266-L269 PolarHBondContact O-N 3.07Å; D266-D270 PolarHBondContact O-N 3.39Å
267E78.4Confident67.8Low103 Ų103114.2 Ų114.248%0.48164%0.64SS.*Hα-helixtrans-76.4-33.3-178.3-169.7172.8-167.100111.4L263 S264 S271L263-E267 HydrophobicContact CB-CB 4.48Å; L263-E267 HydrophobicContact CD2-CG 4.22Å; S264-E267 PolarHBondContact N-OE2 3.12Å; S264-E267 WeakPolarHBondContact O-CB 3.49Å; S264-E267 PolarHBondContact O-N 3.32Å; E267-S271 WeakPolarHBondContact O-CB 2.97Å; E267-S271 PolarHBondContact O-N 3.48Å; E267-S271 PolarHBondContact O-OG 2.95Å
268A81.5Confident67.5Low43 Ų43110.7 Ų110.736%0.35564%0.64SS.*Hα-helixtrans-66.5-38.6166.600000112.1S264 L272S264-A268 PolarHBondContact O-N 3.02Å; A268-L272 WeakPolarHBondContact O-CG 3.34Å; A268-L272 PolarHBondContact O-N 3.12Å; A268-L272 VanDerWaalsContact O-N 3.07Å
269L82.4Confident67.1Low101 Ų101108.9 Ų108.953%0.52964%0.635SS.*Hα-helixtrans-69.8-37.6176.5-74169.5000112.7T265 D266 L272 S273T265-L269 HydrophobicContact CG2-CD1 4.39Å; T265-L269 WeakPolarHBondContact O-CB 3.4Å; T265-L269 VanDerWaalsContact O-CG 3.23Å; T265-L269 WeakPolarHBondContact O-CG 3.47Å; T265-L269 PolarHBondContact O-N 3.01Å; D266-L269 PolarHBondContact O-N 3.07Å; L269-L272 WeakPolarHBondContact O-CB 3.4Å; L269-L272 PolarHBondContact O-N 3.32Å; L269-S273 WeakPolarHBondContact O-CB 3.4Å; L269-S273 PolarHBondContact O-N 3.37Å
270D76.7Confident66.3Low102 Ų102107.4 Ų107.455%0.54564%0.635SS.*Hα-helixtrans-69.9-38.1175.2-161.143000111.4D266 L272 S273 M274D266-D270 PolarHBondContact O-N 3.39Å; D270-L272 VanDerWaalsContact C-N 3.28Å; D270-L272 PolarHBondContact O-N 3.35Å; D270-S273 WeakPolarHBondContact O-CA 3.43Å; D270-S273 VanDerWaalsContact O-CB 3.29Å; D270-S273 WeakPolarHBondContact O-CB 3.14Å; D270-S273 PolarHBondContact O-N 2.89Å; D270-M274 PolarHBondContact O-N 3.22Å
271S79.1Confident65.6Low79 Ų79108.4 Ų108.455%0.55264%0.641SS**Hα-helixtrans-58.4-38170.4-60.60000112.5E267E267-S271 WeakPolarHBondContact O-CB 2.97Å; E267-S271 PolarHBondContact O-N 3.48Å; E267-S271 PolarHBondContact O-OG 2.95Å
272L77.9Confident64.2Low125 Ų125105 Ų10565%0.65464%0.641SS**Hα-helixtrans-71.6-36.2172.4-79.5161.6000112.6A268 L269 D270 G275A268-L272 WeakPolarHBondContact O-CG 3.34Å; A268-L272 PolarHBondContact O-N 3.12Å; A268-L272 VanDerWaalsContact O-N 3.07Å; L269-L272 WeakPolarHBondContact O-CB 3.4Å; L269-L272 PolarHBondContact O-N 3.32Å; D270-L272 VanDerWaalsContact C-N 3.28Å; D270-L272 PolarHBondContact O-N 3.35Å; L272-G275 PolarHBondContact O-N 3.1Å
273S76.2Confident63Low72 Ų72103.5 Ų103.550%0.50364%0.639SS.*Hα-helixtrans-61.9-46.4177.6-1700000111.9L269 D270 G275 F276L269-S273 WeakPolarHBondContact O-CB 3.4Å; L269-S273 PolarHBondContact O-N 3.37Å; D270-S273 WeakPolarHBondContact O-CA 3.43Å; D270-S273 VanDerWaalsContact O-CB 3.29Å; D270-S273 WeakPolarHBondContact O-CB 3.14Å; D270-S273 PolarHBondContact O-N 2.89Å; S273-G275 PolarHBondContact O-N 3.31Å; S273-F276 PolarHBondContact O-N 3.41Å
274M69.2Low61.7Low140 Ų140103.8 Ų103.869%0.6965%0.648SS**Hα-helixtrans-59.3-27.3175.3-68.4-166.375.400113.2D270 F276 T277D270-M274 PolarHBondContact O-N 3.22Å; M274-F276 VanDerWaalsContact C-N 3.25Å; M274-F276 PolarHBondContact O-N 3.38Å; M274-T277 PolarHBondContact O-OG1 2.92Å
275G72.6Confident59.7Low67 Ų67111 Ų11169%0.69167%0.671SS**THydrogen-bonded Turntrans-69-16.8175.200000114.7L272 S273L272-G275 PolarHBondContact O-N 3.1Å; S273-G275 PolarHBondContact O-N 3.31Å
276F59.7Low58Low161 Ų161114.4 Ų114.471%0.70668%0.677SS**THydrogen-bonded Turntrans-92.5-20-176.7-125.7-99.8000113.8S273 M274 S278S273-F276 PolarHBondContact O-N 3.41Å; M274-F276 VanDerWaalsContact C-N 3.25Å; M274-F276 PolarHBondContact O-N 3.38Å; F276-S278 VanDerWaalsContact C-N 3.33Å; F276-S278 PolarHBondContact O-N 3.07Å
277T52Low56.2Low104 Ų104116.8 Ų116.864%0.63869%0.685SS**  trans-82.273.5178.148.70000111.9M274 T279M274-T277 PolarHBondContact O-OG1 2.92Å; T277-T279 PolarHBondContact O-N 2.89Å
278S40.5Very low53.8Low118 Ų118120.9 Ų120.983%0.82570%0.704SS**  trans-62.496.8175.8-173.10000111.9F276F276-S278 VanDerWaalsContact C-N 3.33Å; F276-S278 PolarHBondContact O-N 3.07Å
279T44.1Very low51.4Low128 Ų128125.8 Ų125.879%0.78572%0.723SS**  trans-88.2109.6168.3-63.60000108.1T277T277-T279 PolarHBondContact O-N 2.89Å
280A37.3Very low48.9Very low83 Ų83128.3 Ų128.369%0.68674%0.736SS**PPolyproline II helixtrans-65138.3-17900000112S282A280-S282 PolarHBondContact O-N 3.32Å
281P41.1Very low46.6Very low135 Ų135129.4 Ų129.488%0.87775%0.746SS**PPolyproline II helixtrans-75125.4-178.629.9-34.1000111.5
282S35Very low44.3Very low120 Ų120132.3 Ų132.384%0.83976%0.755SS**PPolyproline II helixtrans-95.3141.4166.8-169.40000110.7A280A280-S282 PolarHBondContact O-N 3.32Å
283A33.6Very low42Very low87 Ų87133 Ų13372%0.71977%0.765SS**PPolyproline II helixtrans-75.3150.4-171.700000113.4
284P39.2Very low39.7Very low125 Ų125133.7 Ų133.781%0.81277%0.765SS**PPolyproline II helixtrans-80.6141.2-169.331.9-36.2000113.8
285K30.6Very low37.9Very low210 Ų210134.5 Ų134.591%0.91377%0.773SS**  trans-135.5153.3159.1-71.9-170.4177.5177.40110.5
286K35.9Very low35.7Very low181 Ų181136.4 Ų136.479%0.78777%0.77SS**  trans-83.7157.7-172.7-61.2-179.3178.9-179.20112.1
287Q36.8Very low34.3Very low169 Ų169136 Ų13679%0.7978%0.775SS**  trans21.7119.3139.1-54.3164.7-73.500115.3
288E29.2Very low33.2Very low189 Ų189138.6 Ų138.688%0.88378%0.784SS**  -165.7170.584.2-102.2179.9167.900116.5
289I30Very low32.8Very low146 Ų146141.2 Ų141.275%0.74978%0.781SS**  trans-62.8155.4-177.9-73.6158.7000115
290L30.3Very low32.1Very low153 Ų153143.4 Ų143.480%0.80178%0.78SS**  trans68.3156.1172-69.3160.3000115.9
291T28.3Very low31.8Very low126 Ų126147 Ų14777%0.77378%0.779SS**  cis-138.115611.7-24.90000111.4
292L31.5Very low31.3Very low140 Ų140147.3 Ų147.373%0.73377%0.77SS**PPolyproline II helixtrans-97.4116.2174.1-173.9162.2000110.2V294L292-V294 HydrophobicContact CD2-CG2 3.6Å
293T29.1Very low30.9Very low140 Ų140148.9 Ų148.986%0.85976%0.764SS**PPolyproline II helixtrans-85.6123.2171.2-59.60000110.1
294V26.7Very low30.6Very low85 Ų85151.2 Ų151.252%0.51576%0.762SS.*PPolyproline II helixtrans-87132.5-170.11690000112.8L292 V296L292-V294 HydrophobicContact CD2-CG2 3.6Å; V294-V296 HydrophobicContact CG1-CB 3.67Å; V294-V296 HydrophobicContact CG1-CG2 3.5Å; V294-V296 VanDerWaalsContact CG1-CG2 3.5Å
295N32.2Very low30.1Very low158 Ų158153.4 Ų153.485%0.84576%0.759SS**  trans-166.791.7140.4-87.8-28000104.6
296V27.7Very low29.9Very low106 Ų106151 Ų15164%0.64276%0.756SS**  58.2130.456.9158.20000112.9V294V294-V296 HydrophobicContact CG1-CB 3.67Å; V294-V296 HydrophobicContact CG1-CG2 3.5Å; V294-V296 VanDerWaalsContact CG1-CG2 3.5Å
297L29.6Very low29.8Very low153 Ų153150.2 Ų150.280%0.80176%0.76SS**  trans72.7123.4-165.2-44.5-174.8000113
298L29.5Very low29.5Very low159 Ų159147.8 Ų147.883%0.83276%0.759SS**  cis-144.61562.4-157.367.5000113
299F30.8Very low29.5Very low172 Ų172143 Ų14375%0.75475%0.752SS**  trans-86.2155.3-176.7-93.6-95.6000114.1
300K30.3Very low29.7Very low175 Ų175142.1 Ų142.176%0.76176%0.756SS**  trans67.9162.5150.1-71.7161.3-179.7170.40115.7
301K30.5Very low29.7Very low157 Ų157144.1 Ų144.168%0.68376%0.758SS**  cis-142123.66.9-157.8168.7179.3-155.40111.6
302E29.5Very low30.1Very low143 Ų143143.1 Ų143.167%0.66875%0.753SS**  39.8140.4115-126.6165.1-159.500120.8
303E28Very low29.8Very low153 Ų153143.3 Ų143.372%0.71575%0.75SS**  trans72.5156.2148.5-103.9-169141.100118.7
304I27Very low29.8Very low135 Ų135145.1 Ų145.169%0.69275%0.746SS**  cis-132.7160.73.6-52.3174.7000110.4
305K29.1Very low29.8Very low171 Ų171150 Ų15074%0.74376%0.76SS**  trans-53.4154.5167.2-51.5140.4-178.5166.20113.9
306N26.6Very low29.5Very low159 Ų159147.6 Ų147.685%0.8575%0.752SS**  176144.4112.9-87.1-15.7000115.1
307L32.4Very low29.3Very low166 Ų166150.7 Ų150.787%0.86976%0.759SS**  trans-83.9157.3164.2-67.5158.7000109.3
308P30.7Very low29.2Very low117 Ų117148.2 Ų148.276%0.7675%0.754SS**  -132.4168.86319.26.5000113.4
309A29.5Very low29.1Very low90 Ų90146.7 Ų146.774%0.74476%0.757SS**  cis66.1149.949.800000114.4
310P34.1Very low28.7Very low127 Ų127141.8 Ų141.883%0.82576%0.755SS**  cis-136-161.35.638.7-16.3000115.5
311K30.9Very low28.6Very low195 Ų195140.2 Ų140.285%0.84876%0.76SS**  trans-78.1-174.5160.5-56.6178.6179.4176.70110
312P36.9Very low29.6Very low104 Ų104137.7 Ų137.768%0.67576%0.76SS**  cis-148.7176.99.145.2-24.3000119.9
313E25.3Very low29.9Very low145 Ų145137.2 Ų137.268%0.67877%0.769SS**  trans66.1133138.6-81.8174.6-130.500127.7
314K28.9Very low30Very low178 Ų178136.4 Ų136.477%0.77477%0.774SS**  trans93.9118133.3-81.2167.3177.6150.10124.8
315K25.6Very low29.9Very low186 Ų186135.8 Ų135.881%0.80978%0.782SS**  trans81.6114.5132-95.4-156168.7-166.80125.1
316V26.7Very low29.8Very low109 Ų109131 Ų13166%0.66178%0.78SS**  71.7130110.5159.80000123.1
317E23.1Very low29.8Very low171 Ų171134.1 Ų134.180%0.79979%0.786SS**  trans54.6159.9161.3-10569.5-178.900121.1
318S27.5Very low29.6Very low100 Ų100134.8 Ų134.870%0.69978%0.782SS**  cis-162.7168.3-2.466.40000113.4
319S27.5Very low29.8Very low128 Ų128134.9 Ų134.990%0.89578%0.783SS**  trans71.7145.4142.1-159.60000123.6
320G22.2Very low29.6Very low69 Ų69135 Ų13571%0.71178%0.779SS**  trans144.5136.7159.100000118.6
321V28.3Very low29.4Very low142 Ų142134 Ų13486%0.86178%0.781SS**  trans-158.3162.6-177-175.50000109.5
322P52.1Low29.1Very low104 Ų104128.5 Ų128.568%0.67578%0.779SS**  cis-114.9-156.1-37.836.7-17.9000112
323P35.3Very low29Very low133 Ų133132.8 Ų132.886%0.86479%0.787SS**  -145.9-166.8107.639.2-22.4000116.6
324V29.2Very low29Very low135 Ų135132.1 Ų132.182%0.81879%0.793SS**  trans-124.2144.2-155.5161.80000116
325S26.5Very low28.9Very low123 Ų123127.2 Ų127.286%0.8679%0.793SS**  trans165.1156.713848.90000112.5
326G26.7Very low29.1Very low69 Ų69123 Ų12371%0.71179%0.792SS**  cis171.6157.8-13.700000114.9
327K26.6Very low29.4Very low225 Ų225124.1 Ų124.198%0.97880%0.799SS**  trans79.8142167.3-64.1-177.8177.4176.30121.7
328K28.4Very low29.8Very low181 Ų181123.6 Ų123.679%0.78780%0.802SS**  trans-123.3149.4166.9-161-160.4177.8174.70108.2
329P34.2Very low30.3Very low119 Ų119127.9 Ų127.977%0.77381%0.808SS**  -133-169.495.141.1-29.7000110
330S26.3Very low31.1Very low93 Ų93126.4 Ų126.465%0.6580%0.795SS**  cis-125.6-174.9-1.7-780000108.4
331A29.8Very low31.8Very low105 Ų105132.3 Ų132.387%0.86880%0.802SS**  cis100.395.10.200000118.2
332G24.9Very low31.9Very low79 Ų79131.1 Ų131.181%0.81480%0.8SS**  trans-173.5153.617200000110.5
333K34.4Very low31.4Very low195 Ų195133 Ų13385%0.84880%0.804SS**  trans-158156.7-165.8-158.5-168.9176.2-176.70114.2
334T24.7Very low31.4Very low131 Ų131136 Ų13680%0.80481%0.806SS**  trans80.5155.716371.60000119.5
335G27.2Very low32.4Very low74 Ų74133.5 Ų133.576%0.76381%0.808SS**  trans93.4107.5-178.700000113
336A29.9Very low33Very low97 Ų97131 Ų13180%0.80280%0.802SS**  cis104.6105.115.800000115
337V33.5Very low34Very low133 Ų133136.5 Ų136.581%0.80681%0.809SS**  trans57.3113.4154.2-174.40000118.8
338D31.3Very low35.2Very low160 Ų160133.6 Ų133.686%0.85680%0.801SS**  -157.6171.4114.7-121.4-35.8000113.9
339K37.1Very low36.6Very low190 Ų190128.7 Ų128.783%0.82679%0.79SS**  trans-146.9172.8-173.4-128.3-168.8172.8179.10109
340P45.6Very low38Very low97 Ų97129.6 Ų129.663%0.6379%0.787SS**  cis-134.9-178.1-12.643.5-27.6000115.1
341K34.9Very low39.9Very low193 Ų193131.7 Ų131.784%0.83979%0.791SS**  trans61121.7153.8-74.9-178.2174.1-171.70120.7
342S31.7Very low41.8Very low118 Ų118129.7 Ų129.783%0.82578%0.775SS**  -152.7147.2104.2-1680000110.1
343D42.2Very low44.1Very low142 Ų142130.2 Ų130.276%0.75976%0.759SS**  trans-80.4134.5171-59.2-94.8000110.6
344Q35.1Very low45.8Very low196 Ų196124.1 Ų124.192%0.91674%0.741SS**  trans-156.9148.3142.3-154.511723.800108.3
345G49.6Very low48.1Very low83 Ų83120.7 Ų120.786%0.85673%0.726SS**  trans-68.7139.9-17500000113.1
346G38.4Very low50.3Low71 Ų71122.3 Ų122.373%0.73272%0.716SS**  trans-138.7137.917300000110.4
347E47.4Very low52.3Low184 Ų184122.2 Ų122.286%0.8671%0.705SS**  trans-45.2151.8-174.8-65.8122.8-130.700116S349E347-S349 PolarHBondContact O-N 3.23Å
348M52.8Low54.1Low164 Ų164123 Ų12381%0.80871%0.705SS**  trans-51.4115.9171.3-52-64.6-165.600109.6L350M348-L350 PolarHBondContact O-N 2.71Å
349S56.9Low55.8Low79 Ų79120 Ų12055%0.55269%0.693SS**  trans-60.3123.9-176.7-45.70000110.2E347 D351 A352 L353E347-S349 PolarHBondContact O-N 3.23Å; S349-D351 PolarHBondContact O-N 3.08Å; S349-D351 VanDerWaalsContact O-N 3.07Å; S349-A352 WeakPolarHBondContact O-CB 3.46Å; S349-A352 PolarHBondContact O-N 3.05Å; S349-L353 PolarHBondContact O-N 3.5Å
350L64.6Low57Low137 Ų137116.8 Ų116.872%0.71768%0.684SS**Hα-helixtrans-56.7-27.4178.4-68.1178.8000112.5M348 A352 L353 S354M348-L350 PolarHBondContact O-N 2.71Å; L350-A352 VanDerWaalsContact C-N 3.33Å; L350-A352 PolarHBondContact O-N 3.2Å; L350-L353 HydrophobicContact CD2-CD1 4.3Å; L350-L353 PolarHBondContact O-N 3.38Å; L350-S354 WeakPolarHBondContact O-CB 3.25Å; L350-S354 PolarHBondContact O-N 3.43Å; L350-S354 PolarHBondContact O-OG 2.9Å
351D66.9Low57.7Low137 Ų137117.9 Ų117.973%0.73369%0.691SS**Hα-helixtrans-58.7-40.1172.1-15652.3000112.3S349 S354 A355S349-D351 PolarHBondContact O-N 3.08Å; S349-D351 VanDerWaalsContact O-N 3.07Å; D351-S354 PolarHBondContact O-N 3.09Å; D351-A355 WeakPolarHBondContact O-CB 3.35Å; D351-A355 PolarHBondContact O-N 3.16Å
352A68.1Low59.1Low64 Ų64117.5 Ų117.553%0.52969%0.692SS.*Hα-helixtrans-75-26.7176.600000113.1S349 L350 L356S349-A352 WeakPolarHBondContact O-CB 3.46Å; S349-A352 PolarHBondContact O-N 3.05Å; L350-A352 VanDerWaalsContact C-N 3.33Å; L350-A352 PolarHBondContact O-N 3.2Å; A352-L356 PolarHBondContact O-N 3.38Å
353L73.4Confident59.9Low90 Ų90119.5 Ų119.547%0.47169%0.694SS.*Hα-helixtrans-77-36.8171-65.6177.5000111.5S349 L350 L356 V357S349-L353 PolarHBondContact O-N 3.5Å; L350-L353 HydrophobicContact CD2-CD1 4.3Å; L350-L353 PolarHBondContact O-N 3.38Å; L353-L356 WeakPolarHBondContact O-CB 3.4Å; L353-L356 PolarHBondContact O-N 3.12Å; L353-L356 VanDerWaalsContact O-N 3.12Å; L353-V357 WeakPolarHBondContact O-CG2 3.22Å; L353-V357 PolarHBondContact O-N 3.5Å
354S69.9Low60.7Low67 Ų67121.1 Ų121.147%0.46969%0.694SS.*Hα-helixtrans-63.9-45.2173.4-55.50000110.9L350 D351 L356 V357 D358L350-S354 WeakPolarHBondContact O-CB 3.25Å; L350-S354 PolarHBondContact O-N 3.43Å; L350-S354 PolarHBondContact O-OG 2.9Å; D351-S354 PolarHBondContact O-N 3.09Å; S354-L356 PolarHBondContact O-N 3.16Å; S354-V357 WeakPolarHBondContact O-CB 3.25Å; S354-V357 PolarHBondContact O-N 2.96Å; S354-V357 VanDerWaalsContact O-N 3.13Å; S354-D358 PolarHBondContact O-N 3.27Å; S354-D358 VanDerWaalsContact O-N 3.09Å
355A73.6Confident61.5Low59 Ų59118 Ų11849%0.48869%0.691SS.*Hα-helixtrans-61.7-23.5172.400000113.6D351 T359D351-A355 WeakPolarHBondContact O-CB 3.35Å; D351-A355 PolarHBondContact O-N 3.16Å; A355-T359 WeakPolarHBondContact O-CG2 3.45Å
356L72.9Confident61.6Low108 Ų108123.2 Ų123.257%0.56569%0.69SS**Hα-helixtrans-81-37174-161.970.3000111.8A352 L353 S354 D358 T359 L360A352-L356 PolarHBondContact O-N 3.38Å; L353-L356 WeakPolarHBondContact O-CB 3.4Å; L353-L356 PolarHBondContact O-N 3.12Å; L353-L356 VanDerWaalsContact O-N 3.12Å; S354-L356 PolarHBondContact O-N 3.16Å; L356-D358 VanDerWaalsContact C-N 3.34Å; L356-T359 PolarHBondContact O-N 2.96Å; L356-T359 PolarHBondContact O-OG1 3.44Å; L356-L360 PolarHBondContact O-N 3.48Å
357V73.4Confident62.2Low95 Ų95125.5 Ų125.558%0.57669%0.692SS**Hα-helixtrans-59-44.8172.6170.40000110.9L353 S354 T359 L360L353-V357 WeakPolarHBondContact O-CG2 3.22Å; L353-V357 PolarHBondContact O-N 3.5Å; S354-V357 WeakPolarHBondContact O-CB 3.25Å; S354-V357 PolarHBondContact O-N 2.96Å; S354-V357 VanDerWaalsContact O-N 3.13Å; V357-T359 PolarHBondContact O-N 2.91Å; V357-T359 VanDerWaalsContact O-N 3.13Å; V357-L360 WeakPolarHBondContact O-CB 3.26Å; V357-L360 PolarHBondContact O-N 2.81Å
358D69.8Low62.4Low148 Ų148123.8 Ų123.879%0.79168%0.684SS**THydrogen-bonded Turntrans-66-9.8175.4-82.33.3000114.1S354 L356S354-D358 PolarHBondContact O-N 3.27Å; S354-D358 VanDerWaalsContact O-N 3.09Å; L356-D358 VanDerWaalsContact C-N 3.34Å
359T67.6Low62.7Low99 Ų99121 Ų12161%0.60768%0.678SS**THydrogen-bonded Turntrans-98.3-2.6172.662.30000114.2A355 L356 V357A355-T359 WeakPolarHBondContact O-CG2 3.45Å; L356-T359 PolarHBondContact O-N 2.96Å; L356-T359 PolarHBondContact O-OG1 3.44Å; V357-T359 PolarHBondContact O-N 2.91Å; V357-T359 VanDerWaalsContact O-N 3.13Å
360L62.2Low62.4Low121 Ų121123 Ų12363%0.63469%0.689SS**SBendtrans-74.6135.2168.5-61.7176.4000109L356 V357 E362L356-L360 PolarHBondContact O-N 3.48Å; V357-L360 WeakPolarHBondContact O-CB 3.26Å; V357-L360 PolarHBondContact O-N 2.81Å; L360-E362 PolarHBondContact O-N 3.34Å
361P61.3Low61.9Low120 Ų120123.4 Ų123.478%0.77969%0.685SS**PPolyproline II helixtrans-65.4129.5178.827.2-33.8000110.3D363P361-D363 PolarHBondContact O-N 3.21Å
362E62.6Low61.2Low185 Ų185121.9 Ų121.986%0.86468%0.68SS**PPolyproline II helixtrans-49.8126.4177.6-62.2176.6127.300111.1L360 K364L360-E362 PolarHBondContact O-N 3.34Å; E362-K364 PolarHBondContact O-N 3.24Å
363D49.1Very low60.5Low161 Ų161124.2 Ų124.286%0.86168%0.678SS**  trans-67.5106.2-177.4-171.326.5000110.1P361P361-D363 PolarHBondContact O-N 3.21Å
364K60.1Low59.8Low176 Ų176125.2 Ų125.277%0.76569%0.69SS**  trans-68.8129.1-176.4-67.2-175.8179.7-1800108.9E362 K366E362-K364 PolarHBondContact O-N 3.24Å; K364-K366 PolarHBondContact O-N 3.38Å
365P50.8Low59.2Low130 Ų130129 Ų12984%0.84470%0.701SS**  trans-56.8115.9-173.621.9-33.2000110.8
366K51Low58.1Low192 Ų192131.5 Ų131.584%0.83571%0.706SS**PPolyproline II helixtrans-58.4138.5176.1-126.9164.1-173.2162.10109.1K364 E368K364-K366 PolarHBondContact O-N 3.38Å; K366-E368 PolarHBondContact O-N 3.09Å
367P51.3Low57.2Low120 Ų120132.1 Ų132.178%0.77971%0.708SS**PPolyproline II helixtrans-54.8134.3173.1-24.634.2000110.6
368E51.6Low56Low147 Ų147133.7 Ų133.769%0.68772%0.718SS**PPolyproline II helixtrans-59136.1176.8-65.6-170.9112.500110.2K366 K371K366-E368 PolarHBondContact O-N 3.09Å; E368-K371 IonicContact OE1-NZ 2.64Å; E368-K371 PolarHBondContact OE1-NZ 3.22Å; E368-K371 IonicContact OE2-NZ 2.67Å; E368-K371 PolarHBondContact OE2-NZ 3.38Å
369P60.1Low55.3Low106 Ų106131.6 Ų131.669%0.68872%0.715SS**PPolyproline II helixtrans-61.115016428.8-33.9000109.4K371P369-K371 PolarHBondContact O-N 3.15Å
370P50.2Low55.2Low120 Ų120135.1 Ų135.178%0.77972%0.724SS**PPolyproline II helixtrans-57.8129-177.723.8-33.6000110.6V372P370-V372 PolarHBondContact O-N 2.71Å
371K54.5Low54.7Low147 Ų147132.4 Ų132.464%0.63973%0.726SS**  trans-65.894177.5-73177.1170.657.60109.8E368 P369 K373E368-K371 IonicContact OE1-NZ 2.64Å; E368-K371 PolarHBondContact OE1-NZ 3.22Å; E368-K371 IonicContact OE2-NZ 2.67Å; E368-K371 PolarHBondContact OE2-NZ 3.38Å; P369-K371 PolarHBondContact O-N 3.15Å; K371-K373 PolarHBondContact O-N 3.15Å
372V51.2Low54.6Low104 Ų104136.8 Ų136.863%0.6373%0.733SS**  trans-53.3129.9164-178.30000107.5P370 D376P370-V372 PolarHBondContact O-N 2.71Å; V372-D376 HydrophobicContact CG1-CB 3.83Å
373K53.6Low54.4Low114 Ų114133.8 Ų133.850%0.49673%0.727SS.*  trans-81.1155.5-177.9-62.2-170.4-173.2173.60110.2K371 E375 D376K371-K373 PolarHBondContact O-N 3.15Å; K373-E375 HydrophobicContact CB-CB 4.12Å; K373-E375 WeakPolarHBondContact CD-OE2 3.49Å; K373-E375 IonicContact NZ-OE2 3.02Å; K373-E375 PolarHBondContact NZ-OE2 2.73Å; K373-E375 PolarHBondContact O-N 3.2Å; K373-E375 VanDerWaalsContact O-N 3.07Å; K373-D376 PolarHBondContact N-OD2 3.2Å; K373-D376 PolarHBondContact O-N 3.26Å
374P58.6Low55Low111 Ų111135.4 Ų135.472%0.72173%0.726SS**G310 helixtrans-56-23.6167.6-24.235000113.2D376 I377P374-D376 VanDerWaalsContact C-N 3.33Å; P374-I377 PolarHBondContact O-N 3.41Å
375E56.8Low55.1Low147 Ų147136.2 Ų136.269%0.68773%0.733SS**G310 helixtrans-66.9-26175.6-68.9139.3-150.400113.9K373K373-E375 HydrophobicContact CB-CB 4.12Å; K373-E375 WeakPolarHBondContact CD-OE2 3.49Å; K373-E375 IonicContact NZ-OE2 3.02Å; K373-E375 PolarHBondContact NZ-OE2 2.73Å; K373-E375 PolarHBondContact O-N 3.2Å; K373-E375 VanDerWaalsContact O-N 3.07Å
376D51.8Low56Low111 Ų111138.6 Ų138.659%0.59473%0.733SS**G310 helixtrans-87.2-8.6178.3-61-55000112.5V372 K373 P374 V378V372-D376 HydrophobicContact CG1-CB 3.83Å; K373-D376 PolarHBondContact N-OD2 3.2Å; K373-D376 PolarHBondContact O-N 3.26Å; P374-D376 VanDerWaalsContact C-N 3.33Å; D376-V378 PolarHBondContact O-N 3.32Å
377I53.2Low56.9Low120 Ų120138 Ų13862%0.61573%0.73SS**SBendtrans-91.494.7176.4-55.4177.8000108.2P374 S379P374-I377 PolarHBondContact O-N 3.41Å; I377-S379 PolarHBondContact O-N 3.3Å
378V48.9Very low57.5Low128 Ų128134.7 Ų134.778%0.77672%0.718SS**  trans-64.6100.5169.8-179.60000108.6D376 E380D376-V378 PolarHBondContact O-N 3.32Å; V378-E380 PolarHBondContact O-N 3.45Å
379S55.8Low58.6Low105 Ų105134 Ų13473%0.73472%0.724SS**  trans-68.9103.6172.161.60000109.1I377 G381I377-S379 PolarHBondContact O-N 3.3Å; S379-G381 PolarHBondContact O-N 2.8Å
380E64Low59.1Low172 Ų172137.8 Ų137.880%0.80472%0.724SS**  trans-53.7125.9173.4-65.7-169.8154.600109.9V378 K382V378-E380 PolarHBondContact O-N 3.45Å; E380-K382 PolarHBondContact O-N 3.15Å
381G51.7Low60.4Low65 Ų65138.1 Ų138.167%0.6772%0.724SS**  trans-61.1132-175.800000110.6S379 V383S379-G381 PolarHBondContact O-N 2.8Å; G381-V383 PolarHBondContact O-N 3.19Å
382K59.4Low61.3Low212 Ų212133.2 Ų133.292%0.92271%0.714SS**  trans-42.999.1-173.3-67.2-174.1179-175.80112.4E380 K384E380-K382 PolarHBondContact O-N 3.15Å; K382-K384 PolarHBondContact O-N 3.29Å; K382-K384 VanDerWaalsContact O-N 3.13Å
383V57.9Low62.6Low122 Ų122134.4 Ų134.474%0.73971%0.713SS**  trans-64.1116179.7179.90000108.2G381 Q385G381-V383 PolarHBondContact O-N 3.19Å; V383-Q385 PolarHBondContact O-N 3.46Å; V383-Q385 VanDerWaalsContact O-N 3.16Å
384K62Low63.9Low195 Ų195134.7 Ų134.785%0.84871%0.711SS**  trans-67.8112.3171.2-65.9178.7-178.2176.70107.2K382 E386K382-K384 PolarHBondContact O-N 3.29Å; K382-K384 VanDerWaalsContact O-N 3.13Å; K384-E386 PolarHBondContact O-N 2.66Å
385Q63.2Low64.7Low192 Ų192134.4 Ų134.490%0.89770%0.7SS**  trans-6996.3170.2-74-174.7-15.700108.9V383 K387V383-Q385 PolarHBondContact O-N 3.46Å; V383-Q385 VanDerWaalsContact O-N 3.16Å; Q385-K387 PolarHBondContact O-N 2.98Å
386E69.3Low65.6Low181 Ų181130.9 Ų130.985%0.84669%0.686SS**  trans-71120.8172.3-172.3175.4159.700109.3K384 G388K384-E386 PolarHBondContact O-N 2.66Å; E386-G388 VanDerWaalsContact C-N 3.32Å; E386-G388 PolarHBondContact O-N 2.89Å
387K69.1Low67.2Low179 Ų179128 Ų12878%0.77867%0.672SS**  trans-76.686.9175.3-169.8-171.1177.3-170.50109.1Q385 V389Q385-K387 PolarHBondContact O-N 2.98Å; K387-V389 PolarHBondContact O-N 2.91Å
388G64.9Low68.5Low51 Ų51125.1 Ų125.153%0.52666%0.658SS.*  trans-50.9134176.200000112.4E386 R390E386-G388 VanDerWaalsContact C-N 3.32Å; E386-G388 PolarHBondContact O-N 2.89Å; G388-R390 PolarHBondContact O-N 2.83Å
389V75.4Confident70.1Confident133 Ų133122.9 Ų122.981%0.80665%0.646SS**  trans-72.7110.6-176.6179.10000109.9K387 V391K387-V389 PolarHBondContact O-N 2.91Å; V389-V391 PolarHBondContact O-N 3.19Å
390R69.3Low71.2Confident184 Ų184122.5 Ų122.569%0.69464%0.641SS**  trans-78.598.4172.1-76.4-162.9167.994.44.2110.9G388 G392 E393G388-R390 PolarHBondContact O-N 2.83Å; R390-G392 PolarHBondContact O-N 3.4Å; R390-E393 HydrophobicContact CB-CB 4.08Å; R390-E393 WeakPolarHBondContact CB-OE2 3.29Å; R390-E393 WeakPolarHBondContact CD-OE2 3.45Å; R390-E393 PolarHBondContact O-N 3.48Å
391V77Confident72Confident128 Ų128117.9 Ų117.978%0.77664%0.64SS**THydrogen-bonded Turntrans-62.2125.2164.7-175.60000108.2V389 T397V389-V391 PolarHBondContact O-N 3.19Å; V391-T397 HydrophobicContact CG1-CG2 3.92Å
392G74.1Confident72.9Confident43 Ų43123.8 Ų123.844%0.44364%0.643SS.*THydrogen-bonded Turntrans106-11.5-178.700000115.6R390 R394R390-G392 PolarHBondContact O-N 3.4Å; G392-R394 VanDerWaalsContact C-N 3.27Å; G392-R394 PolarHBondContact O-N 3.13Å
393E78.6Confident74Confident129 Ų129118.7 Ų118.760%0.60362%0.618SS**SBendtrans-77.7-8.6179.3-165.2178.912500113.5R390R390-E393 HydrophobicContact CB-CB 4.08Å; R390-E393 WeakPolarHBondContact CB-OE2 3.29Å; R390-E393 WeakPolarHBondContact CD-OE2 3.45Å; R390-E393 PolarHBondContact O-N 3.48Å
394R81Confident74.8Confident121 Ų121119.1 Ų119.146%0.45761%0.61SS.*SBendtrans-117139.1-172.7-55.1179.7-57.9113.121.5110.8G392 D396 T397G392-R394 VanDerWaalsContact C-N 3.27Å; G392-R394 PolarHBondContact O-N 3.13Å; R394-D396 VanDerWaalsContact C-N 3.26Å; R394-D396 WeakPolarHBondContact CB-OD1 3.49Å; R394-D396 VanDerWaalsContact CZ-CG 3.48Å; R394-D396 IonicContact CZ-OD1 2.73Å; R394-D396 IonicContact CZ-OD2 3.9Å; R394-D396 IonicContact NE-OD1 3.81Å; R394-D396 IonicContact NH1-OD1 2.63Å; R394-D396 PolarHBondContact NH1-OD1 3.16Å; R394-D396 IonicContact NH1-OD2 2.66Å; R394-D396 PolarHBondContact NH1-OD2 2.92Å; R394-D396 VanDerWaalsContact NH2-CG 3.29Å; R394-D396 IonicContact NH2-OD1 3.29Å; R394-D396 PolarHBondContact NH2-OD1 3.1Å; R394-D396 IonicContact NH2-OD2 3.2Å; R394-D396 PolarHBondContact NH2-OD2 3.22Å; R394-D396 PolarHBondContact O-N 2.81Å; R394-T397 PolarHBondContact NH2-OG1 3.03Å; R394-T397 WeakPolarHBondContact O-CA 3.24Å; R394-T397 VanDerWaalsContact O-CB 3.22Å; R394-T397 WeakPolarHBondContact O-CB 3.44Å; R394-T397 PolarHBondContact O-N 3.38Å; R394-T397 PolarHBondContact O-OG1 2.91Å
395E74.5Confident75.4Confident105 Ų105113.2 Ų113.249%0.49159%0.588SS.*G310 helixtrans-53.3-36.5-178.3-64-60.113000114T397 L398 R403 F404E395-T397 PolarHBondContact O-N 2.64Å; E395-L398 WeakPolarHBondContact O-CB 3.08Å; E395-L398 PolarHBondContact O-N 3.37Å; E395-R403 WeakPolarHBondContact O-CG 3.26Å; E395-F404 WeakPolarHBondContact OE2-CB 3.34Å; E395-F404 PolarHBondContact OE2-N 3.34Å
396D76.2Confident75.8Confident73 Ų73108.7 Ų108.739%0.3957%0.567SS.*G310 helixtrans-65.8-20.9175.872.2-43.3000113.3R394 L398 R403R394-D396 VanDerWaalsContact C-N 3.26Å; R394-D396 WeakPolarHBondContact CB-OD1 3.49Å; R394-D396 VanDerWaalsContact CZ-CG 3.48Å; R394-D396 IonicContact CZ-OD1 2.73Å; R394-D396 IonicContact CZ-OD2 3.9Å; R394-D396 IonicContact NE-OD1 3.81Å; R394-D396 IonicContact NH1-OD1 2.63Å; R394-D396 PolarHBondContact NH1-OD1 3.16Å; R394-D396 IonicContact NH1-OD2 2.66Å; R394-D396 PolarHBondContact NH1-OD2 2.92Å; R394-D396 VanDerWaalsContact NH2-CG 3.29Å; R394-D396 IonicContact NH2-OD1 3.29Å; R394-D396 PolarHBondContact NH2-OD1 3.1Å; R394-D396 IonicContact NH2-OD2 3.2Å; R394-D396 PolarHBondContact NH2-OD2 3.22Å; R394-D396 PolarHBondContact O-N 2.81Å; D396-L398 VanDerWaalsContact C-N 3.31Å; D396-R403 PolarHBondContact O-NH2 3.28Å
397T84.8Confident75.8Confident49 Ų49105.5 Ų105.530%0.30155%0.552SS.*G310 helixtrans-83-12.1176.4-410000111.6V391 R394 E395V391-T397 HydrophobicContact CG1-CG2 3.92Å; R394-T397 PolarHBondContact NH2-OG1 3.03Å; R394-T397 WeakPolarHBondContact O-CA 3.24Å; R394-T397 VanDerWaalsContact O-CB 3.22Å; R394-T397 WeakPolarHBondContact O-CB 3.44Å; R394-T397 PolarHBondContact O-N 3.38Å; R394-T397 PolarHBondContact O-OG1 2.91Å; E395-T397 PolarHBondContact O-N 2.64Å
398L81.4Confident75.8Confident61 Ų61102.1 Ų102.132%0.31954%0.539SS..SBendtrans-76.4144.1166.2-55.9178.9000110E395 D396 Y402 R403E395-L398 WeakPolarHBondContact O-CB 3.08Å; E395-L398 PolarHBondContact O-N 3.37Å; D396-L398 VanDerWaalsContact C-N 3.31Å; L398-Y402 WeakPolarHBondContact CD1-O 3.42Å; L398-R403 HydrophobicContact CB-CG 4.26Å; L398-R403 PolarHBondContact O-NE 2.95Å
399P81.6Confident75.8Confident80 Ų80104.4 Ų104.452%0.51954%0.539SS..  trans-58147.3174.2-20.731.6000110.9G401 Y402P399-G401 VanDerWaalsContact C-N 3.26Å; P399-G401 PolarHBondContact O-N 2.73Å; P399-Y402 HydrophobicContact CB-CD2 4.26Å; P399-Y402 HydrophobicContact CG-CD2 4.43Å; P399-Y402 PolarHBondContact O-N 3.42Å
400P79.9Confident75.6Confident97 Ų97104.2 Ų104.263%0.6353%0.527SS*.G310 helixtrans-51.1-35.6-169.9-32.136.9000116.3Y402P400-Y402 VanDerWaalsContact C-N 3.26Å; P400-Y402 PolarHBondContact O-N 3.03Å
401G80.3Confident75.6Confident76 Ų76102.8 Ų102.878%0.78453%0.526SS*.G310 helixtrans-770.3177.100000116P399P399-G401 VanDerWaalsContact C-N 3.26Å; P399-G401 PolarHBondContact O-N 2.73Å
402Y71.1Confident75Confident189 Ų189102.1 Ų102.174%0.74152%0.517SS*.G310 helixtrans-121.75.1177.8-69.3-86.3000112.9L398 P399 P400L398-Y402 WeakPolarHBondContact CD1-O 3.42Å; P399-Y402 HydrophobicContact CB-CD2 4.26Å; P399-Y402 HydrophobicContact CG-CD2 4.43Å; P399-Y402 PolarHBondContact O-N 3.42Å; P400-Y402 VanDerWaalsContact C-N 3.26Å; P400-Y402 PolarHBondContact O-N 3.03Å
403R83.4Confident74.6Confident104 Ų104105.6 Ų105.639%0.39253%0.532SS..SBendtrans-76142.5176-59-170.9176.4169.9-4.7110.2E395 D396 L398 N405E395-R403 WeakPolarHBondContact O-CG 3.26Å; D396-R403 PolarHBondContact O-NH2 3.28Å; L398-R403 HydrophobicContact CB-CG 4.26Å; L398-R403 PolarHBondContact O-NE 2.95Å; R403-N405 PolarHBondContact O-N 3.19Å
404F74.1Confident73.9Confident131 Ų131103.8 Ų103.858%0.57554%0.539SS*.  trans-72.5100.1-179-177.2-99.1000112.6E395 E406 L409E395-F404 WeakPolarHBondContact OE2-CB 3.34Å; E395-F404 PolarHBondContact OE2-N 3.34Å; F404-E406 HydrophobicContact CD1-CB 4.35Å; F404-E406 HydrophobicContact CE1-CB 3.92Å; F404-E406 HydrophobicContact CE1-CG 3.88Å; F404-E406 PolarHBondContact O-N 3.35Å; F404-L409 HydrophobicContact CD2-CD1 4.46Å; F404-L409 HydrophobicContact CE2-CD1 3.42Å; F404-L409 VanDerWaalsContact CE2-CD1 3.42Å; F404-L409 HydrophobicContact CZ-CD1 3.54Å
405N74.8Confident72.9Confident72 Ų72103.7 Ų103.739%0.38555%0.554SS.*  trans-84.687.4179.5-66.1-23.7000111.9R403 E407 E408 L409R403-N405 PolarHBondContact O-N 3.19Å; N405-E407 PolarHBondContact O-N 3.14Å; N405-E408 HydrophobicContact CB-CB 3.94Å; N405-E408 HydrophobicContact CB-CG 3.83Å; N405-E408 WeakPolarHBondContact CB-OE2 3.32Å; N405-E408 PolarHBondContact ND2-OE2 2.94Å; N405-E408 PolarHBondContact O-N 3.2Å; N405-L409 PolarHBondContact O-N 3.25Å
406E71.7Confident72.4Confident96 Ų96107.6 Ų107.645%0.44957%0.57SS.*Hα-helixtrans-61.6-31.8-179.8-152.1-164.4158.200112.3F404 E408 L409 K410F404-E406 HydrophobicContact CD1-CB 4.35Å; F404-E406 HydrophobicContact CE1-CB 3.92Å; F404-E406 HydrophobicContact CE1-CG 3.88Å; F404-E406 PolarHBondContact O-N 3.35Å; E406-E408 VanDerWaalsContact C-N 3.26Å; E406-E408 PolarHBondContact O-N 2.96Å; E406-L409 PolarHBondContact O-N 2.98Å; E406-K410 VanDerWaalsContact CD-CE 3.42Å; E406-K410 HydrophobicContact CG-CD 4.44Å; E406-K410 WeakPolarHBondContact O-CB 3.36Å; E406-K410 WeakPolarHBondContact O-CD 3.43Å; E406-K410 VanDerWaalsContact O-CG 3.24Å; E406-K410 WeakPolarHBondContact O-CG 3.34Å; E406-K410 PolarHBondContact O-N 2.87Å; E406-K410 WeakPolarHBondContact OE1-CE 3.44Å; E406-K410 IonicContact OE1-NZ 3.87Å; E406-K410 PolarHBondContact OE1-NZ 3.19Å; E406-K410 IonicContact OE2-NZ 2.91Å; E406-K410 PolarHBondContact OE2-NZ 3.44Å
407E67.9Low71.8Confident115 Ų115110.1 Ų110.154%0.53759%0.59SS.*Hα-helixtrans-67-21173.3-69.167.7-148.100113.7N405 K411N405-E407 PolarHBondContact O-N 3.14Å; E407-K411 WeakPolarHBondContact O-CD 3.29Å; E407-K411 WeakPolarHBondContact O-CE 3.47Å; E407-K411 WeakPolarHBondContact O-CG 3.46Å; E407-K411 PolarHBondContact O-NZ 3.4Å
408E69.1Low70.8Confident107 Ų107115.9 Ų115.950%0.561%0.614SS.*Hα-helixtrans-86.3-41.5176.2-66.3-174.1147.800110.7N405 E406 K410 K411 L412N405-E408 HydrophobicContact CB-CB 3.94Å; N405-E408 HydrophobicContact CB-CG 3.83Å; N405-E408 WeakPolarHBondContact CB-OE2 3.32Å; N405-E408 PolarHBondContact ND2-OE2 2.94Å; N405-E408 PolarHBondContact O-N 3.2Å; E406-E408 VanDerWaalsContact C-N 3.26Å; E406-E408 PolarHBondContact O-N 2.96Å; E408-K410 PolarHBondContact O-N 3.25Å; E408-K411 PolarHBondContact O-N 3.08Å; E408-L412 PolarHBondContact O-N 2.89Å; E408-L412 VanDerWaalsContact O-N 3.11Å
409L65.8Low70.1Confident99 Ų99118.6 Ų118.652%0.51864%0.635SS.*Hα-helixtrans-57.8-35169.6-105.9161.9000112.7F404 N405 E406 K411F404-L409 HydrophobicContact CD2-CD1 4.46Å; F404-L409 HydrophobicContact CE2-CD1 3.42Å; F404-L409 VanDerWaalsContact CE2-CD1 3.42Å; F404-L409 HydrophobicContact CZ-CD1 3.54Å; N405-L409 PolarHBondContact O-N 3.25Å; E406-L409 PolarHBondContact O-N 2.98Å; L409-K411 VanDerWaalsContact C-N 3.34Å
410K70.3Confident69Low129 Ų129124.2 Ų124.256%0.56165%0.651SS**THydrogen-bonded Turntrans-75.3-14173.4-70.6163.7-175.2160.30114.7E406 E408E406-K410 VanDerWaalsContact CD-CE 3.42Å; E406-K410 HydrophobicContact CG-CD 4.44Å; E406-K410 WeakPolarHBondContact O-CB 3.36Å; E406-K410 WeakPolarHBondContact O-CD 3.43Å; E406-K410 VanDerWaalsContact O-CG 3.24Å; E406-K410 WeakPolarHBondContact O-CG 3.34Å; E406-K410 PolarHBondContact O-N 2.87Å; E406-K410 WeakPolarHBondContact OE1-CE 3.44Å; E406-K410 IonicContact OE1-NZ 3.87Å; E406-K410 PolarHBondContact OE1-NZ 3.19Å; E406-K410 IonicContact OE2-NZ 2.91Å; E406-K410 PolarHBondContact OE2-NZ 3.44Å; E408-K410 PolarHBondContact O-N 3.25Å
411K71Confident68.1Low154 Ų154124.7 Ų124.767%0.6765%0.646SS**THydrogen-bonded Turntrans-93.4-23.6175.3-71.9161.5-159.8146.90112.6E407 E408 L409E407-K411 WeakPolarHBondContact O-CD 3.29Å; E407-K411 WeakPolarHBondContact O-CE 3.47Å; E407-K411 WeakPolarHBondContact O-CG 3.46Å; E407-K411 PolarHBondContact O-NZ 3.4Å; E408-K411 PolarHBondContact O-N 3.08Å; L409-K411 VanDerWaalsContact C-N 3.34Å
412L63.3Low67.4Low115 Ų115127.8 Ų127.860%0.60264%0.64SS**SBendtrans-65.8135.5169.9-65.9176.6000109.3E408 A414E408-L412 PolarHBondContact O-N 2.89Å; E408-L412 VanDerWaalsContact O-N 3.11Å; L412-A414 PolarHBondContact O-N 3.12Å
413P66.8Low67.5Low116 Ų116124.2 Ų124.275%0.75364%0.638SS**PPolyproline II helixtrans-61.4133.5171.427.5-33.4000108.4
414A62.1Low66.8Low91 Ų91122.7 Ų122.775%0.75264%0.644SS**PPolyproline II helixtrans-48.1128.5-175.100000110.9L412 K416L412-A414 PolarHBondContact O-N 3.12Å; A414-K416 PolarHBondContact O-N 3.14Å
415P61.9Low67Low119 Ų119120.4 Ų120.477%0.77364%0.637SS**PPolyproline II helixtrans-55.9139.8179.823.3-32.9000109
416K63.4Low67.3Low186 Ų186118.6 Ų118.681%0.80963%0.633SS**PPolyproline II helixtrans-56.3137174.9-69.8-171.8-177.967.70107.6A414 E418A414-K416 PolarHBondContact O-N 3.14Å; K416-E418 PolarHBondContact O-N 2.99Å; K416-E418 VanDerWaalsContact O-N 3.08Å
417P62.6Low67.6Low126 Ų126118.9 Ų118.982%0.81864%0.637SS**PPolyproline II helixtrans-55.6122.3179.323.8-33.6000108.7
418E65.3Low68.2Low171 Ų171119 Ų11980%0.79964%0.641SS**PPolyproline II helixtrans-58.8146.6179.3-65.5178.3158.300109.8K416 K420K416-E418 PolarHBondContact O-N 2.99Å; K416-E418 VanDerWaalsContact O-N 3.08Å; E418-K420 PolarHBondContact O-N 2.81Å
419P65.2Low68.5Low118 Ų118120.6 Ų120.677%0.76665%0.646SS**  trans-60.5113.617227-33000108.1M421P419-M421 VanDerWaalsContact C-N 3.32Å; P419-M421 PolarHBondContact O-N 3.32Å
420K58.8Low68.9Low197 Ų197121.4 Ų121.486%0.85765%0.651SS**  trans-66.495.9170.3-64.8179.1-177.6178.90107.3E418 E422E418-K420 PolarHBondContact O-N 2.81Å; K420-E422 PolarHBondContact O-N 3.13Å
421M60.8Low69.1Low107 Ų107118.1 Ų118.153%0.52764%0.644SS.*  trans-61.8112.5167.9-62.4-151.5-54.200107.4P419 D425 A426 F429P419-M421 VanDerWaalsContact C-N 3.32Å; P419-M421 PolarHBondContact O-N 3.32Å; M421-D425 HydrophobicContact CB-CB 4.25Å; M421-A426 HydrophobicContact CE-CB 4.43Å; M421-F429 HydrophobicContact CE-CD2 4.44Å; M421-F429 HydrophobicContact SD-CD2 3.92Å; M421-F429 HydrophobicContact SD-CE2 3.63Å
422E67.1Low68.7Low142 Ų142112.4 Ų112.466%0.66463%0.629SS**  trans-66.1155.9168.6-63.7-165.4145.800108.5K420 S424 D425 A426K420-E422 PolarHBondContact O-N 3.13Å; E422-S424 PolarHBondContact O-N 3.46Å; E422-D425 PolarHBondContact O-N 2.99Å; E422-A426 PolarHBondContact O-N 3.23Å
423T71.3Confident68.8Low113 Ų113113.5 Ų113.569%0.69364%0.635SS**Hα-helixtrans-59.9-21.9-171.9-40.40000112.6L427T423-L427 HydrophobicContact CG2-CD1 4.43Å; T423-L427 WeakPolarHBondContact O-CB 3.35Å; T423-L427 WeakPolarHBondContact O-CD1 3.22Å; T423-L427 WeakPolarHBondContact O-CG 3.44Å; T423-L427 PolarHBondContact O-N 2.87Å; T423-L427 VanDerWaalsContact O-N 3.14Å
424S70.2Confident68.3Low73 Ų73115 Ų11551%0.5164%0.636SS.*Hα-helixtrans-65.1-45.6170.5450000114E422 L427 D428E422-S424 PolarHBondContact O-N 3.46Å; S424-L427 PolarHBondContact O-N 3.42Å; S424-D428 PolarHBondContact O-N 3.02Å
425D78.7Confident68.2Low83 Ų83116.3 Ų116.344%0.44464%0.635SS.*Hα-helixtrans-63.5-45.9178.1-81.6-1.3000110M421 E422 L427 D428 F429M421-D425 HydrophobicContact CB-CB 4.25Å; E422-D425 PolarHBondContact O-N 2.99Å; D425-L427 PolarHBondContact O-N 2.77Å; D425-D428 PolarHBondContact O-N 3.48Å; D425-D428 VanDerWaalsContact O-N 3.08Å; D425-F429 HydrophobicContact CB-CE2 4.31Å; D425-F429 WeakPolarHBondContact O-CD2 3.4Å; D425-F429 PolarHBondContact O-N 3.41Å
426A79.4Confident67.6Low34 Ų34115.4 Ų115.428%0.28163%0.627SS.*Hα-helixtrans-59.2-33.5176.900000112.5M421 E422 L430M421-A426 HydrophobicContact CE-CB 4.43Å; E422-A426 PolarHBondContact O-N 3.23Å; A426-L430 WeakPolarHBondContact O-CD1 3.41Å; A426-L430 VanDerWaalsContact O-CG 3.25Å; A426-L430 WeakPolarHBondContact O-CG 3.25Å; A426-L430 PolarHBondContact O-N 3.38Å
427L79.1Confident66.7Low102 Ų102111.7 Ų111.753%0.53463%0.625SS.*Hα-helixtrans-78.7-30.4174.8-73.4169.5000113.1T423 S424 D425 L430 S431T423-L427 HydrophobicContact CG2-CD1 4.43Å; T423-L427 WeakPolarHBondContact O-CB 3.35Å; T423-L427 WeakPolarHBondContact O-CD1 3.22Å; T423-L427 WeakPolarHBondContact O-CG 3.44Å; T423-L427 PolarHBondContact O-N 2.87Å; T423-L427 VanDerWaalsContact O-N 3.14Å; S424-L427 PolarHBondContact O-N 3.42Å; D425-L427 PolarHBondContact O-N 2.77Å; L427-L430 PolarHBondContact O-N 3.44Å; L427-S431 VanDerWaalsContact O-CB 3.26Å; L427-S431 WeakPolarHBondContact O-CB 3.41Å; L427-S431 PolarHBondContact O-N 3.44Å; L427-S431 PolarHBondContact O-OG 3.24Å
428D79.6Confident66.2Low117 Ų117111 Ų11163%0.62662%0.623SS**Hα-helixtrans-69-45.7174.8-165.159.6000111.1S424 D425 L430 S431 G432S424-D428 PolarHBondContact O-N 3.02Å; D425-D428 PolarHBondContact O-N 3.48Å; D425-D428 VanDerWaalsContact O-N 3.08Å; D428-L430 VanDerWaalsContact C-N 3.27Å; D428-L430 PolarHBondContact O-N 2.95Å; D428-S431 PolarHBondContact O-N 3.19Å; D428-G432 PolarHBondContact O-N 2.97Å
429F76.8Confident64.7Low141 Ų141108.7 Ų108.762%0.61863%0.626SS**Hα-helixtrans-57.3-38.4172.4-72.8-62.1000112.7M421 D425M421-F429 HydrophobicContact CE-CD2 4.44Å; M421-F429 HydrophobicContact SD-CD2 3.92Å; M421-F429 HydrophobicContact SD-CE2 3.63Å; D425-F429 HydrophobicContact CB-CE2 4.31Å; D425-F429 WeakPolarHBondContact O-CD2 3.4Å; D425-F429 PolarHBondContact O-N 3.41Å
430L72.4Confident63.6Low116 Ų116107.7 Ų107.761%0.60763%0.627SS**Hα-helixtrans-76.9-21174.9-70171000113.6A426 L427 D428 L434A426-L430 WeakPolarHBondContact O-CD1 3.41Å; A426-L430 VanDerWaalsContact O-CG 3.25Å; A426-L430 WeakPolarHBondContact O-CG 3.25Å; A426-L430 PolarHBondContact O-N 3.38Å; L427-L430 PolarHBondContact O-N 3.44Å; D428-L430 VanDerWaalsContact C-N 3.27Å; D428-L430 PolarHBondContact O-N 2.95Å; L430-L434 WeakPolarHBondContact O-CD1 3.47Å; L430-L434 WeakPolarHBondContact O-CG 3.22Å
431S74.4Confident62.4Low59 Ų59102.9 Ų102.941%0.41362%0.624SS.*Hα-helixtrans-87.2-30.7179-61.80000112.6L427 D428 L434L427-S431 VanDerWaalsContact O-CB 3.26Å; L427-S431 WeakPolarHBondContact O-CB 3.41Å; L427-S431 PolarHBondContact O-N 3.44Å; L427-S431 PolarHBondContact O-OG 3.24Å; D428-S431 PolarHBondContact O-N 3.19Å; S431-L434 PolarHBondContact O-N 3.37Å
432G63.2Low61Low35 Ų35103.6 Ų103.636%0.36164%0.637SS.*Hα-helixtrans-55.6-52.3174.900000112.1D428 L434 T435D428-G432 PolarHBondContact O-N 2.97Å; G432-L434 PolarHBondContact O-N 3.31Å; G432-T435 PolarHBondContact O-N 3.15Å; G432-T435 VanDerWaalsContact O-N 3.15Å; G432-T435 PolarHBondContact O-OG1 3.09Å; G432-T435 VanDerWaalsContact O-OG1 3.09Å
433D65.6Low59.5Low138 Ų138103.6 Ų103.674%0.73865%0.647SS**Hα-helixtrans-67.9-14.9-179.3-1057.4000114.4T436D433-T436 PolarHBondContact O-OG1 3.39Å
434L56.3Low57.6Low147 Ų147106.9 Ų106.977%0.7765%0.654SS**Hα-helixtrans-85.5-11.8175.4-70.5173.7000113.6L430 S431 G432L430-L434 WeakPolarHBondContact O-CD1 3.47Å; L430-L434 WeakPolarHBondContact O-CG 3.22Å; S431-L434 PolarHBondContact O-N 3.37Å; G432-L434 PolarHBondContact O-N 3.31Å
435T59.4Low55.7Low119 Ų119107.5 Ų107.573%0.7366%0.664SS**Hα-helixtrans-108.2-12.5-179.862.20000113.9G432 S437G432-T435 PolarHBondContact O-N 3.15Å; G432-T435 VanDerWaalsContact O-N 3.15Å; G432-T435 PolarHBondContact O-OG1 3.09Å; G432-T435 VanDerWaalsContact O-OG1 3.09Å; T435-S437 PolarHBondContact O-N 3.05Å; T435-S437 VanDerWaalsContact O-N 3.1Å
436T51Low53.4Low99 Ų99109.9 Ų109.961%0.60768%0.683SS**  trans-82.527.8-17747.90000114.5D433 S438D433-T436 PolarHBondContact O-OG1 3.39Å; T436-S438 PolarHBondContact O-N 3.28Å
437S43.1Very low51Low109 Ų109114.6 Ų114.676%0.76271%0.708SS**  trans-69.292.91771790000112.6T435T435-S437 PolarHBondContact O-N 3.05Å; T435-S437 VanDerWaalsContact O-N 3.1Å
438S51.9Low48.6Very low110 Ų110115.8 Ų115.877%0.76972%0.72SS**  trans51.566.7151.8-177.20000117T436T436-S438 PolarHBondContact O-N 3.28Å
439S33.8Very low46.6Very low123 Ų123119.7 Ų119.786%0.8673%0.731SS**  trans-96.8107.4157.5-170.90000110.2A441S439-A441 PolarHBondContact O-N 3.04Å
440A42.4Very low44.3Very low97 Ų97118.2 Ų118.280%0.80274%0.736SS**  trans-78.1108-177.900000111.6
441A33.1Very low42.1Very low96 Ų96118.4 Ų118.479%0.79375%0.747SS**PPolyproline II helixtrans-87.2136.9171.500000111.3S439S439-A441 PolarHBondContact O-N 3.04Å
442P33.1Very low40Very low123 Ų123119.7 Ų119.780%0.79976%0.761SS**PPolyproline II helixtrans-78.7156.6-172.331.4-36.3000114.1Q444P442-Q444 PolarHBondContact O-N 2.96Å
443V34Very low38.8Very low142 Ų142123.6 Ų123.686%0.86178%0.78SS**PPolyproline II helixtrans-56.9124.5179.7-178.90000112.6
444Q32.7Very low37.8Very low182 Ų182122.6 Ų122.685%0.8578%0.781SS**  trans-137.8132.5152.2-67.6-163.812.700110.2P442P442-Q444 PolarHBondContact O-N 2.96Å
445A29.6Very low36.4Very low86 Ų86119.7 Ų119.771%0.71178%0.778SS**  trans-85.4136.3-176.700000111.8V447A445-V447 PolarHBondContact O-N 3.1Å; A445-V447 VanDerWaalsContact O-N 3.15Å
446P30.5Very low34.8Very low132 Ų132122.9 Ų122.986%0.85778%0.784SS**  trans-67.1110.8173.9-21.434000112.2
447V29.9Very low33.7Very low133 Ų133124.6 Ų124.681%0.80679%0.794SS**PPolyproline II helixtrans-70.9142.6169.6173.10000110.4A445 K449A445-V447 PolarHBondContact O-N 3.1Å; A445-V447 VanDerWaalsContact O-N 3.15Å; V447-K449 PolarHBondContact O-N 3.43Å
448V28Very low33Very low128 Ų128125.9 Ų125.978%0.77679%0.793SS**PPolyproline II helixtrans-52.5131.9178178.40000112.1
449K36.8Very low31.8Very low199 Ų199128.8 Ų128.887%0.86579%0.794SS**PPolyproline II helixtrans-103.1117.4166.3-69.9-176.4-179.4177.60110.9V447V447-K449 PolarHBondContact O-N 3.43Å
450P29.5Very low31.4Very low110 Ų110133.3 Ų133.371%0.71479%0.792SS**PPolyproline II helixtrans-91.4140.2166.834.1-31.2000112.3
451S25.1Very low30.9Very low120 Ų120136.6 Ų136.684%0.83979%0.791SS**  trans47136.1133.4-171.50000121.9
452A30.8Very low30.7Very low85 Ų85138.1 Ų138.170%0.70279%0.79SS**  cis-159.4-117.3-15.800000112.4
453P37.7Very low30.4Very low117 Ų117138.2 Ų138.276%0.7679%0.792SS**  trans-124.9-154.1-136.542-19.2000112.2
454P44.2Very low30.3Very low118 Ų118136.7 Ų136.777%0.76679%0.788SS**  cis-141.6-156.2-1.545-24.5000115.8
455A27.2Very low30Very low85 Ų85134.9 Ų134.970%0.70279%0.789SS**  trans79.6113.817000000116.2
456Q26.1Very low29.8Very low186 Ų186137 Ų13787%0.86979%0.789SS**  74.711453.3-66.8-170.522.900115.1
457V27.8Very low29.7Very low135 Ų135137.9 Ų137.982%0.81879%0.785SS**  171.9138.2115.81530000110.3
458N28.1Very low29.6Very low136 Ų136136.6 Ų136.673%0.72778%0.782SS**  trans-82.6145.5172.9-64.4-29.1000111.6
459H27.5Very low29.6Very low172 Ų172134.9 Ų134.980%0.79678%0.782SS**  169.5152.9112.5-9492.1000116.1
460R25.7Very low29.2Very low217 Ų217129.7 Ų129.782%0.81977%0.77SS**  trans65.8101.4153.1-76.2-178.1173.8175.4-1.3121
461H30.8Very low29.2Very low166 Ų166132.2 Ų132.277%0.76977%0.773SS**  42.9131.8107.5-66.6-65.3000121.5
462T28.7Very low29.4Very low128 Ų128137.6 Ų137.679%0.78578%0.775SS**  trans65130144.556.80000117.1
463C27.4Very low29.5Very low125 Ų125140.3 Ų140.385%0.84578%0.777SS**  cis-146.2172.230-82.10000113.6
464S32.5Very low29.1Very low110 Ų110143.7 Ų143.777%0.76978%0.78SS**  trans-71149161.151.20000113.8
465V26.9Very low28.5Very low145 Ų145142.8 Ų142.888%0.87978%0.782SS**  trans-152.5155.9149.1155.90000110.1
466D23.8Very low28.7Very low131 Ų131146.5 Ų146.570%0.70178%0.782SS**  trans-57.3165.9-172.6-70.2-51.4000121.4
467L28.5Very low28.7Very low149 Ų149142 Ų14278%0.7877%0.768SS**  trans17.5133.8142.1-65.680.4000118
468S27.8Very low29Very low107 Ų107143 Ų14375%0.74876%0.763SS**  162.6157.977.2420000111.4
469A29.4Very low29Very low92 Ų92143 Ų14376%0.7676%0.764SS**  trans60.1166.5153.300000118.6
470S28.1Very low29.3Very low90 Ų90142.2 Ų142.263%0.62976%0.764SS**  cis-163.9160.9-34.1-92.90000108.4
471E28.8Very low29.6Very low163 Ų163136.4 Ų136.476%0.76276%0.763SS**  trans49.8116.4154-64.8161.392.300120.1
472R30.6Very low29.7Very low233 Ų233132.5 Ų132.588%0.87976%0.759SS**  -170.1128.3103.6-108.4156.4-72.4154.7-3.1114.8
473D31Very low29.8Very low142 Ų142134 Ų13476%0.75976%0.761SS**  trans-66149.2151.9-66.4-79.4000111.3
474K31.1Very low30Very low188 Ų188135 Ų13582%0.81775%0.754SS**  164.2151.2104.1-87.3-175.6-164.9-53.70113.1
475A31.5Very low30.1Very low98 Ų98135.5 Ų135.581%0.8176%0.757SS**  trans73150149.800000118.8
476K30.6Very low30.4Very low163 Ų163136.2 Ų136.271%0.70976%0.755SS**  cis-174.5152-18.9177.5-169.9163.2-84.90107.9
477V27Very low30.8Very low93 Ų93138.1 Ų138.156%0.56476%0.76SS**  trans59.3163.5167.5-80.80000117.2
478E33.8Very low30.6Very low155 Ų155140 Ų14072%0.72476%0.762SS**  cis-131.8128.1-6.3-118.3100.4-146.200105
479N28.3Very low30.7Very low137 Ų137139.5 Ų139.573%0.73375%0.754SS**  49.4100.771.5-162.711.1000116.4
480L33.3Very low30.9Very low155 Ų155139.3 Ų139.381%0.81275%0.753SS**  177.9152.4122-97.3171.2000113.9
481A32.6Very low31.3Very low95 Ų95140.6 Ų140.679%0.78576%0.759SS**  trans67.7145.7159.700000119.9
482A31.5Very low31.5Very low83 Ų83137.8 Ų137.869%0.68676%0.757SS**  cis-167.3136.1-18.700000112.4
483L32.1Very low31.4Very low159 Ų159136.1 Ų136.183%0.83276%0.757SS**  trans63159.7155.2-57.3172.7000117.1
484E31.3Very low31.2Very low147 Ų147134.4 Ų134.469%0.68776%0.762SS**  cis-145.9153.35.9-153.6158.5-132.200112L486E484-L486 HydrophobicContact CG-CD1 4.24Å
485S33.8Very low31Very low120 Ų120131.8 Ų131.884%0.83977%0.767SS**  trans-163.7125.6166.8-770000110.1E487S485-E487 PolarHBondContact O-N 3.42Å
486L33.8Very low30.8Very low160 Ų160130.2 Ų130.284%0.83876%0.761SS**  trans-87.6109.4-175.7-91.374.8000113.4E484E484-L486 HydrophobicContact CG-CD1 4.24Å
487E31.7Very low30.7Very low171 Ų171129.2 Ų129.280%0.79977%0.768SS**  trans-18.9140.4149.6169.5173.1-142.100118.7S485S485-E487 PolarHBondContact O-N 3.42Å
488F25.4Very low30.7Very low190 Ų190133.3 Ų133.383%0.83378%0.781SS**  trans-150.5104.1130.4-157.6-106.8000114.8
489V29.5Very low30.3Very low95 Ų95129.7 Ų129.758%0.57678%0.778SS**  trans64.4131.6145.3175.50000121.5
490A32.9Very low30.6Very low89 Ų89129.1 Ų129.174%0.73678%0.781SS**  trans-131.6173.3154.100000109.2
491P37.1Very low30.5Very low116 Ų116128.6 Ų128.675%0.75378%0.784SS**  trans-141.9137137.334.6-19.9000116.2
492S31.4Very low30.7Very low105 Ų105129 Ų12973%0.73478%0.779SS**  30.2151127.1-63.20000122.5
493K30.3Very low31.2Very low198 Ų198131 Ų13186%0.86179%0.785SS**  cis-177.3146.4-12.3-108.8-175.3-177.3-1780107.7
494A26.8Very low31.2Very low106 Ų106130.1 Ų130.188%0.87679%0.786SS**  trans-176.7157.9146.200000110.9
495S27.1Very low31.4Very low132 Ų132129 Ų12992%0.92379%0.79SS**  trans-157.1146.3174.9-176.30000112.5
496G26.8Very low32Very low66 Ų66133.5 Ų133.568%0.6879%0.794SS**  trans104.1138175.100000114.6
497V27.9Very low32.3Very low142 Ų142135 Ų13586%0.86179%0.794SS**  cis-150.3136.42165.60000111.3
498H27.5Very low33Very low178 Ų178131 Ų13182%0.82478%0.781SS**  trans73.4114.1157.2-159.5-95000121.9
499A25.8Very low34.2Very low80 Ų80127.1 Ų127.166%0.66178%0.775SS**SBendtrans69.6146.6159.600000120.2
500P33.2Very low35.4Very low125 Ų125129.1 Ų129.181%0.81278%0.778SS**  cis-110.9153-45.637.2-27.5000111.3
501V31.7Very low37Very low143 Ų143131 Ų13187%0.86778%0.776SS**  trans-104.5132.8-168.5176.30000112.3
502P36.9Very low38.2Very low105 Ų105128.4 Ų128.468%0.68276%0.764SS**  trans-76.2155.1174.732.1-36.2000112.8
503P42.6Very low39.9Very low125 Ų125129 Ų12981%0.81276%0.758SS**  trans-77.1135-177.231.1-34.6000112.7
504T32.3Very low41.6Very low139 Ų139122.9 Ų122.985%0.85374%0.741SS**  trans-130.4118.5156.650.30000109.2
505T34.1Very low43.6Very low125 Ų125120.7 Ų120.777%0.76772%0.722SS**  trans-122.4141.5163.5460000107.8K507T505-K507 PolarHBondContact O-N 2.66Å
506K46.4Very low45.4Very low214 Ų214119.5 Ų119.593%0.9371%0.705SS**  trans-69.8121.6172.8-64.7179.9179.8-179.30108
507K40.8Very low47.3Very low190 Ų190119.9 Ų119.983%0.82670%0.697SS**  trans-119.4154162.4-85.9-161.6169.8-167.10110.6T505T505-K507 PolarHBondContact O-N 2.66Å
508T46.6Very low49Very low88 Ų88120.2 Ų120.254%0.5469%0.694SS.*  trans-71.7161.4-179.938.80000111.9E510T508-E510 WeakPolarHBondContact CB-OE1 3.36Å; T508-E510 PolarHBondContact O-N 3.11Å; T508-E510 PolarHBondContact OG1-OE1 3.25Å
509P50.3Low50.8Low109 Ų109116.5 Ų116.571%0.70868%0.684SS**THydrogen-bonded Turntrans-71.812.3-170.729.6-37.5000116.1D511 A512P509-D511 VanDerWaalsContact C-N 3.35Å; P509-D511 PolarHBondContact O-N 3.49Å; P509-A512 PolarHBondContact O-N 2.86Å
510E55.8Low52.5Low136 Ų136118.7 Ų118.764%0.63668%0.684SS**Hα-helixtrans-66.6-34.9-178.5-68.5155.2-116.400112.6T508 A512 L513 S514T508-E510 WeakPolarHBondContact CB-OE1 3.36Å; T508-E510 PolarHBondContact O-N 3.11Å; T508-E510 PolarHBondContact OG1-OE1 3.25Å; E510-A512 PolarHBondContact O-N 2.86Å; E510-L513 PolarHBondContact O-N 3.22Å; E510-L513 VanDerWaalsContact O-N 3.12Å; E510-S514 PolarHBondContact O-N 3.32Å; E510-S514 VanDerWaalsContact O-N 3.16Å
511D65.1Low53.5Low130 Ų130118.7 Ų118.770%0.69568%0.684SS**Hα-helixtrans-61.6-32.1-180-157.135.9000112.3P509 L513 S514 A515P509-D511 VanDerWaalsContact C-N 3.35Å; P509-D511 PolarHBondContact O-N 3.49Å; D511-L513 PolarHBondContact O-N 3.22Å; D511-S514 PolarHBondContact O-N 3.03Å; D511-A515 WeakPolarHBondContact O-CB 3.34Å; D511-A515 PolarHBondContact O-N 2.97Å
512A62.2Low54.9Low60 Ų60120.7 Ų120.750%0.49668%0.684SS.*Hα-helixtrans-70.1-30.9177.800000112.9P509 E510 L516P509-A512 PolarHBondContact O-N 2.86Å; E510-A512 PolarHBondContact O-N 2.86Å; A512-L516 WeakPolarHBondContact O-CG 3.48Å; A512-L516 PolarHBondContact O-N 2.63Å; A512-L516 VanDerWaalsContact O-N 3.16Å
513L67.1Low55.4Low118 Ų118123.3 Ų123.362%0.61869%0.692SS**Hα-helixtrans-78.7-33.4174.9-61.6179.5000111.4E510 D511 L516 S517E510-L513 PolarHBondContact O-N 3.22Å; E510-L513 VanDerWaalsContact O-N 3.12Å; D511-L513 PolarHBondContact O-N 3.22Å; L513-L516 PolarHBondContact O-N 2.66Å; L513-S517 PolarHBondContact O-N 3.35Å; L513-S517 PolarHBondContact O-OG 2.83Å
514S67Low56.2Low70 Ų70125.8 Ų125.849%0.4969%0.69SS.*Hα-helixtrans-64-45.7171.1-155.30000111E510 D511 L516 S517 D518E510-S514 PolarHBondContact O-N 3.32Å; E510-S514 VanDerWaalsContact O-N 3.16Å; D511-S514 PolarHBondContact O-N 3.03Å; S514-L516 VanDerWaalsContact C-N 3.31Å; S514-L516 PolarHBondContact O-N 3.42Å; S514-S517 WeakPolarHBondContact O-CB 3.26Å; S514-S517 PolarHBondContact O-N 3.32Å; S514-S517 VanDerWaalsContact O-N 3.09Å; S514-D518 PolarHBondContact O-N 3.18Å
515A67.8Low57Low59 Ų59125.4 Ų125.449%0.48869%0.69SS.*Hα-helixtrans-63.7-32.5176.800000113.5D511D511-A515 WeakPolarHBondContact O-CB 3.34Å; D511-A515 PolarHBondContact O-N 2.97Å
516L64.6Low57.4Low108 Ų108128.6 Ų128.657%0.56569%0.694SS**Hα-helixtrans-72.6-31.1172.5-75.6169.7000112.5A512 L513 S514 D518 T519A512-L516 WeakPolarHBondContact O-CG 3.48Å; A512-L516 PolarHBondContact O-N 2.63Å; A512-L516 VanDerWaalsContact O-N 3.16Å; L513-L516 PolarHBondContact O-N 2.66Å; S514-L516 VanDerWaalsContact C-N 3.31Å; S514-L516 PolarHBondContact O-N 3.42Å; L516-D518 PolarHBondContact O-N 3.39Å; L516-T519 PolarHBondContact O-N 3.41Å; L516-T519 VanDerWaalsContact O-N 3.08Å; L516-T519 PolarHBondContact O-OG1 3.07Å
517S66.8Low57.6Low73 Ų73124 Ų12451%0.5169%0.686SS.*Hα-helixtrans-63.3-41.3177.3-57.30000111.6L513 S514 T519 L520L513-S517 PolarHBondContact O-N 3.35Å; L513-S517 PolarHBondContact O-OG 2.83Å; S514-S517 WeakPolarHBondContact O-CB 3.26Å; S514-S517 PolarHBondContact O-N 3.32Å; S514-S517 VanDerWaalsContact O-N 3.09Å; S517-T519 PolarHBondContact O-N 2.94Å; S517-L520 PolarHBondContact O-N 3.36Å
518D65.3Low58Low149 Ų149121.4 Ų121.480%0.79768%0.676SS**THydrogen-bonded Turntrans-68-8.5173.7-83.1-0.7000114.1S514 L516S514-D518 PolarHBondContact O-N 3.18Å; L516-D518 PolarHBondContact O-N 3.39Å
519T64.8Low58.5Low101 Ų101122.1 Ų122.162%0.6268%0.682SS**THydrogen-bonded Turntrans-95.4-2.7174.663.60000114.2L516 S517L516-T519 PolarHBondContact O-N 3.41Å; L516-T519 VanDerWaalsContact O-N 3.08Å; L516-T519 PolarHBondContact O-OG1 3.07Å; S517-T519 PolarHBondContact O-N 2.94Å
520L60.3Low58.4Low125 Ų125123 Ų12365%0.65469%0.688SS**SBendtrans-79.3136.1170.7-64.3176.1000109.9S517 E522S517-L520 PolarHBondContact O-N 3.36Å; L520-E522 PolarHBondContact O-N 3.09Å
521P56.1Low58.4Low125 Ų125123.2 Ų123.281%0.81269%0.687SS**PPolyproline II helixtrans-61128.4178.8-23.533.8000112.2D523P521-D523 PolarHBondContact O-N 3.41Å
522E60.3Low57.4Low185 Ų185122.3 Ų122.386%0.86469%0.688SS**PPolyproline II helixtrans-55.8123.1174.3-62.3176.9120.800110.7L520 K524L520-E522 PolarHBondContact O-N 3.09Å; E522-K524 PolarHBondContact O-N 3.48Å; E522-K524 VanDerWaalsContact O-N 3.1Å
523D48Very low56.8Low161 Ų161127.1 Ų127.186%0.86169%0.694SS**  trans-69.1109.4-178-172.326.7000110.7P521P521-D523 PolarHBondContact O-N 3.41Å
524K58.8Low56.5Low176 Ų176126.6 Ų126.677%0.76570%0.697SS**  trans-74.5126.9-177.2-68.8-176.6179.5178.10109.2E522 K526E522-K524 PolarHBondContact O-N 3.48Å; E522-K524 VanDerWaalsContact O-N 3.1Å; K524-K526 PolarHBondContact O-N 3.04Å
525P48.3Very low55.9Low131 Ų131129.7 Ų129.785%0.85170%0.704SS**  trans-59.8108.2-172.423.6-34.3000111.1
526K44Very low55.1Low193 Ų193133.3 Ų133.384%0.83972%0.715SS**PPolyproline II helixtrans-77.7142.7177.6-159.9165.7-173.7172.60109.4K524 E528K524-K526 PolarHBondContact O-N 3.04Å; K526-E528 PolarHBondContact O-N 2.67Å
527P50.7Low54.5Low118 Ų118134 Ų13477%0.76672%0.718SS**PPolyproline II helixtrans-57.1138.1-172.8-28.836.4000114.1
528E47.8Very low53.6Low134 Ų134136.9 Ų136.963%0.62673%0.732SS**PPolyproline II helixtrans-59.6134.2178.8-167.9-171.1-136.800111.2K526 K531K526-E528 PolarHBondContact O-N 2.67Å; E528-K531 WeakPolarHBondContact OE1-CE 3.49Å; E528-K531 IonicContact OE1-NZ 3.51Å; E528-K531 PolarHBondContact OE1-NZ 2.84Å; E528-K531 IonicContact OE2-NZ 3.53Å; E528-K531 PolarHBondContact OE2-NZ 2.9Å
529P57.8Low52.7Low103 Ų103134.9 Ų134.967%0.66973%0.73SS**PPolyproline II helixtrans-64.9149.6173.128.2-34.4000110.8K531P529-K531 PolarHBondContact O-N 3.03Å; P529-K531 VanDerWaalsContact O-N 3.13Å
530P48.3Very low52Low127 Ų127136.2 Ų136.283%0.82574%0.737SS**PPolyproline II helixtrans-61.6119.7-174.925-34.2000111.2
531K55Low51.2Low141 Ų141133 Ų13361%0.61374%0.735SS**PPolyproline II helixtrans-56.8126.5177.8-65.7-174.6168.780.30110.3E528 P529E528-K531 WeakPolarHBondContact OE1-CE 3.49Å; E528-K531 IonicContact OE1-NZ 3.51Å; E528-K531 PolarHBondContact OE1-NZ 2.84Å; E528-K531 IonicContact OE2-NZ 3.53Å; E528-K531 PolarHBondContact OE2-NZ 2.9Å; P529-K531 PolarHBondContact O-N 3.03Å; P529-K531 VanDerWaalsContact O-N 3.13Å
532P44.9Very low51Low112 Ų112137.2 Ų137.273%0.72774%0.74SS**PPolyproline II helixtrans-62.5142.5168.728.5-33.9000108.9
533R49.8Very low50.8Low161 Ų161135.4 Ų135.461%0.60874%0.735SS**PPolyproline II helixtrans-84.1154.8-179-63.3-175.1-173.8173.11.3110.6E535 D536R533-E535 HydrophobicContact CB-CB 4.19Å; R533-E535 HydrophobicContact CB-CG 4.47Å; R533-E535 WeakPolarHBondContact CB-OE1 3.47Å; R533-E535 VanDerWaalsContact CD-CD 3.46Å; R533-E535 WeakPolarHBondContact CD-OE1 3.22Å; R533-E535 WeakPolarHBondContact CD-OE2 3.26Å; R533-E535 IonicContact CZ-OE2 2.65Å; R533-E535 IonicContact NE-OE2 2.99Å; R533-E535 IonicContact NH1-OE2 2.85Å; R533-E535 PolarHBondContact NH1-OE2 2.95Å; R533-E535 PolarHBondContact O-N 3Å; R533-D536 PolarHBondContact O-N 3.28Å
534P59.8Low51.1Low106 Ų106135.4 Ų135.469%0.68873%0.727SS**G310 helixtrans-57.1-20172-24.235000113.8D536 I537P534-D536 VanDerWaalsContact C-N 3.27Å; P534-D536 PolarHBondContact O-N 3.43Å; P534-I537 PolarHBondContact O-N 2.86Å
535E55Low51Low136 Ų136136.8 Ų136.864%0.63673%0.733SS**G310 helixtrans-54.3-32.8174.7-72127.3-109.200114.4R533R533-E535 HydrophobicContact CB-CB 4.19Å; R533-E535 HydrophobicContact CB-CG 4.47Å; R533-E535 WeakPolarHBondContact CB-OE1 3.47Å; R533-E535 VanDerWaalsContact CD-CD 3.46Å; R533-E535 WeakPolarHBondContact CD-OE1 3.22Å; R533-E535 WeakPolarHBondContact CD-OE2 3.26Å; R533-E535 IonicContact CZ-OE2 2.65Å; R533-E535 IonicContact NE-OE2 2.99Å; R533-E535 IonicContact NH1-OE2 2.85Å; R533-E535 PolarHBondContact NH1-OE2 2.95Å; R533-E535 PolarHBondContact O-N 3Å
536D50.2Low51.4Low134 Ų134139.3 Ų139.372%0.71773%0.734SS**G310 helixtrans-85.4-7-178.8-73.8-46.7000113.9R533 P534 V538R533-D536 PolarHBondContact O-N 3.28Å; P534-D536 VanDerWaalsContact C-N 3.27Å; P534-D536 PolarHBondContact O-N 3.43Å; D536-V538 PolarHBondContact O-N 3.26Å
537I52.6Low52.1Low123 Ų123138.9 Ų138.963%0.63174%0.735SS**SBendtrans-85.299.7175.5-57179.2000108.7P534 S539P534-I537 PolarHBondContact O-N 2.86Å; I537-S539 PolarHBondContact O-N 3.39Å; I537-S539 PolarHBondContact O-OG 3.09Å
538V47.2Very low52.6Low134 Ų134135.2 Ų135.281%0.81272%0.719SS**  trans-57.898.1173.2-178.10000109.3D536 V540D536-V538 PolarHBondContact O-N 3.26Å; V538-V540 PolarHBondContact O-N 2.91Å
539S47.9Very low53.6Low106 Ų106134.9 Ų134.974%0.74173%0.726SS**  trans-70.698.7-176.3-69.10000109.7I537 G541I537-S539 PolarHBondContact O-N 3.39Å; I537-S539 PolarHBondContact O-OG 3.09Å; S539-G541 PolarHBondContact O-N 3.36Å; S539-G541 VanDerWaalsContact O-N 3.11Å
540V49.3Very low53.7Low129 Ų129136.6 Ų136.678%0.78272%0.723SS**  trans-51.9119.9172.4178.40000108.3V538V538-V540 PolarHBondContact O-N 2.91Å
541G43Very low54.7Low58 Ų58137 Ų13760%0.59872%0.722SS**  trans-57.5147.2-166.700000113S539 I543S539-G541 PolarHBondContact O-N 3.36Å; S539-G541 VanDerWaalsContact O-N 3.11Å; G541-I543 PolarHBondContact O-N 2.8Å
542K52.5Low55.4Low213 Ų213132.2 Ų132.293%0.92671%0.713SS**  trans-53.3101.4179.3-63.2179-177.6179.20110.3K544K542-K544 PolarHBondContact O-N 2.85Å
543I55.4Low57Low147 Ų147133.5 Ų133.575%0.75471%0.71SS**  trans-65.5110.2178.9-54.6176.6000107.6G541 K545G541-I543 PolarHBondContact O-N 2.8Å; I543-K545 PolarHBondContact O-N 3.11Å
544K55Low58.4Low161 Ų161132.5 Ų132.570%0.771%0.706SS**  trans-64.4115.5167.5-65.1-176.7-177.1-179.30107K542 E546K542-K544 PolarHBondContact O-N 2.85Å; K544-E546 PolarHBondContact O-N 3.06Å
545K56Low59Low205 Ų205131.9 Ų131.989%0.89170%0.697SS**  trans-73.5104.5164.5-70.3-174.1178.2-175.80106.9I543I543-K545 PolarHBondContact O-N 3.11Å
546E57.9Low59.9Low185 Ų185130.2 Ų130.286%0.86469%0.692SS**  trans-86.3123.2168.9-170.7168.6167.200108K544 G548K544-E546 PolarHBondContact O-N 3.06Å; E546-G548 PolarHBondContact O-N 3.01Å
547E58.6Low61.6Low183 Ų183127 Ų12786%0.85568%0.677SS**  trans-8499.9178.2-173.7164-136.100108.3V549E547-V549 PolarHBondContact O-N 2.78Å
548G60.9Low63Low42 Ų42124.2 Ų124.243%0.43366%0.664SS.*  trans-65131.9-179.900000111.2E546 F550E546-G548 PolarHBondContact O-N 3.01Å; G548-F550 WeakPolarHBondContact O-CD2 3.4Å; G548-F550 WeakPolarHBondContact O-CE2 3.35Å; G548-F550 PolarHBondContact O-N 3.04Å; G548-F550 VanDerWaalsContact O-N 3.09Å
549V68.8Low64.6Low127 Ų127121.4 Ų121.477%0.7765%0.648SS**  trans-70.1105.9178.2179.50000109.6E547 V551E547-V549 PolarHBondContact O-N 2.78Å; V549-V551 PolarHBondContact O-N 3.04Å
550F60.7Low66Low138 Ų138120.7 Ų120.761%0.60564%0.641SS**  trans-76.7105.5-179.8-71.1-80.2000111.5G548 G552 E553G548-F550 WeakPolarHBondContact O-CD2 3.4Å; G548-F550 WeakPolarHBondContact O-CE2 3.35Å; G548-F550 PolarHBondContact O-N 3.04Å; G548-F550 VanDerWaalsContact O-N 3.09Å; F550-G552 PolarHBondContact O-N 3Å; F550-G552 VanDerWaalsContact O-N 3.12Å; F550-E553 HydrophobicContact CB-CB 4.48Å; F550-E553 PolarHBondContact O-N 2.75Å
551V67.5Low67.4Low135 Ų135121.8 Ų121.882%0.81864%0.642SS**THydrogen-bonded Turntrans-65.5110.4172.3-177.60000108.9V549 T557V549-V551 PolarHBondContact O-N 3.04Å; V551-T557 HydrophobicContact CG1-CG2 3.98Å
552G70.4Confident68.8Low41 Ų41127.7 Ų127.742%0.42365%0.648SS.*THydrogen-bonded Turntrans124.2-10-178.300000114.8F550F550-G552 PolarHBondContact O-N 3Å; F550-G552 VanDerWaalsContact O-N 3.12Å
553E77.6Confident70.2Confident140 Ų140122.2 Ų122.265%0.65462%0.621SS**SBendtrans-68.1-33180-169.5-160146.300113.4F550F550-E553 HydrophobicContact CB-CB 4.48Å; F550-E553 PolarHBondContact O-N 2.75Å
554R79.3Confident71.2Confident140 Ų140121.7 Ų121.753%0.52861%0.614SS.*SBendtrans-91.9141.7-176.1-70.4173.7167.863.88.2111.7D556 T557R554-D556 WeakPolarHBondContact CB-OD1 3.48Å; R554-D556 PolarHBondContact O-N 3.3Å; R554-D556 VanDerWaalsContact O-N 3.1Å; R554-T557 WeakPolarHBondContact O-CA 3.37Å; R554-T557 WeakPolarHBondContact O-CB 3.47Å; R554-T557 PolarHBondContact O-N 3.39Å
555D73.3Confident71.9Confident93 Ų93117.7 Ų117.750%0.49760%0.6SS.*G310 helixtrans-54.4-28.5172-69-79.6000113.4T557 L558 R563D555-T557 PolarHBondContact O-N 3.12Å; D555-L558 PolarHBondContact O-N 2.79Å; D555-R563 WeakPolarHBondContact O-CD 3.37Å; D555-R563 WeakPolarHBondContact O-CG 2.99Å; D555-R563 PolarHBondContact O-NE 3.39Å
556D74.8Confident72.7Confident101 Ų101113.4 Ų113.454%0.5458%0.581SS.*G310 helixtrans-72-12.4176.171.51.8000114.4R554 R563R554-D556 WeakPolarHBondContact CB-OD1 3.48Å; R554-D556 PolarHBondContact O-N 3.3Å; R554-D556 VanDerWaalsContact O-N 3.1Å; D556-R563 PolarHBondContact O-NH2 3.35Å
557T85.8Confident73.2Confident65 Ų65110.5 Ų110.540%0.39957%0.568SS.*G310 helixtrans-93.9-15.3176.1-48.50000111.4V551 R554 D555V551-T557 HydrophobicContact CG1-CG2 3.98Å; R554-T557 WeakPolarHBondContact O-CA 3.37Å; R554-T557 WeakPolarHBondContact O-CB 3.47Å; R554-T557 PolarHBondContact O-N 3.39Å; D555-T557 PolarHBondContact O-N 3.12Å
558L82.3Confident73.7Confident66 Ų66107.3 Ų107.335%0.34655%0.553SS.*SBendtrans-73.6147.9168.5-60.8178000110.8D555 R563D555-L558 PolarHBondContact O-N 2.79Å; L558-R563 HydrophobicContact CB-CG 4.31Å; L558-R563 PolarHBondContact O-NE 2.71Å; L558-R563 PolarHBondContact O-NH2 3.25Å
559P79.4Confident73.9Confident74 Ų74110.4 Ų110.448%0.48156%0.559SS.*  trans-57.7147.2171-20.731.9000110.8D561 Y562 R563P559-D561 VanDerWaalsContact C-N 3.26Å; P559-D561 PolarHBondContact O-N 2.96Å; P559-D561 VanDerWaalsContact O-N 3.1Å; P559-Y562 HydrophobicContact CB-CD2 4.2Å; P559-Y562 HydrophobicContact CG-CD2 4.41Å; P559-Y562 PolarHBondContact O-N 3.3Å; P559-R563 WeakPolarHBondContact O-CG 3.34Å; P559-R563 PolarHBondContact O-N 3.33Å
560P78.6Confident73.9Confident91 Ų91111.1 Ų111.159%0.59155%0.554SS**G310 helixtrans-49.9-41-173-3137000115.2Y562 R563P560-Y562 PolarHBondContact O-N 3.35Å; P560-R563 PolarHBondContact O-N 2.94Å
561D78.5Confident74.3Confident153 Ų153111.8 Ų111.882%0.81856%0.557SS**G310 helixtrans-72.4-7.1-177.9-48.4-48.3000114P559P559-D561 VanDerWaalsContact C-N 3.26Å; P559-D561 PolarHBondContact O-N 2.96Å; P559-D561 VanDerWaalsContact O-N 3.1Å
562Y71.1Confident74.1Confident181 Ų181111 Ų11171%0.7155%0.547SS*.G310 helixtrans-115.65.7179.7-70.6-90.8000113.1P559 P560P559-Y562 HydrophobicContact CB-CD2 4.2Å; P559-Y562 HydrophobicContact CG-CD2 4.41Å; P559-Y562 PolarHBondContact O-N 3.3Å; P560-Y562 PolarHBondContact O-N 3.35Å
563R82.9Confident74Confident98 Ų98114.6 Ų114.637%0.3756%0.563SS.*SBendtrans-76.7144176.9-57.9-169.8-179-166.8-6.1110.5D555 D556 L558 P559 P560 N565D555-R563 WeakPolarHBondContact O-CD 3.37Å; D555-R563 WeakPolarHBondContact O-CG 2.99Å; D555-R563 PolarHBondContact O-NE 3.39Å; D556-R563 PolarHBondContact O-NH2 3.35Å; L558-R563 HydrophobicContact CB-CG 4.31Å; L558-R563 PolarHBondContact O-NE 2.71Å; L558-R563 PolarHBondContact O-NH2 3.25Å; P559-R563 WeakPolarHBondContact O-CG 3.34Å; P559-R563 PolarHBondContact O-N 3.33Å; P560-R563 PolarHBondContact O-N 2.94Å; R563-N565 PolarHBondContact O-N 2.83Å
564F75.4Confident73.2Confident136 Ų136112.3 Ų112.360%0.59657%0.568SS**  trans-74.990.2-179.3-175.2-102.5000111.8K566 L569F564-K566 VanDerWaalsContact C-N 3.28Å; F564-K566 HydrophobicContact CD1-CB 4.05Å; F564-K566 HydrophobicContact CE1-CB 3.76Å; F564-K566 HydrophobicContact CE1-CD 4.39Å; F564-K566 HydrophobicContact CE1-CG 4.02Å; F564-K566 PolarHBondContact O-N 3.39Å; F564-L569 HydrophobicContact CE2-CD2 4.39Å; F564-L569 HydrophobicContact CZ-CD2 3.92Å
565N71.4Confident72.6Confident78 Ų78111.4 Ų111.442%0.41758%0.58SS.*  trans-71.977.3177.4-67.8-15.8000111.6R563 E567 E568 L569R563-N565 PolarHBondContact O-N 2.83Å; N565-E567 PolarHBondContact O-N 3Å; N565-E568 HydrophobicContact CB-CB 4.04Å; N565-E568 HydrophobicContact CB-CG 3.95Å; N565-E568 WeakPolarHBondContact CB-OE2 3.4Å; N565-E568 PolarHBondContact ND2-OE2 2.87Å; N565-E568 PolarHBondContact O-N 3.06Å; N565-L569 PolarHBondContact O-N 2.87Å
566K72.8Confident72Confident114 Ų114116 Ų11650%0.49660%0.596SS.*Hα-helixtrans-56.7-37.5179.5-170.2171.1176.7178.40112.3F564 E568 L569 E570F564-K566 VanDerWaalsContact C-N 3.28Å; F564-K566 HydrophobicContact CD1-CB 4.05Å; F564-K566 HydrophobicContact CE1-CB 3.76Å; F564-K566 HydrophobicContact CE1-CD 4.39Å; F564-K566 HydrophobicContact CE1-CG 4.02Å; F564-K566 PolarHBondContact O-N 3.39Å; K566-E568 PolarHBondContact O-N 3.08Å; K566-L569 PolarHBondContact O-N 3.11Å; K566-E570 WeakPolarHBondContact CE-OE1 3.07Å; K566-E570 PolarHBondContact O-N 3.25Å
567E68.1Low71.2Confident124 Ų124117.1 Ų117.158%0.57961%0.609SS**Hα-helixtrans-70.9-9.8176.5-58.882.4174.600113.7N565 K571N565-E567 PolarHBondContact O-N 3Å; E567-K571 WeakPolarHBondContact O-CD 3.33Å; E567-K571 WeakPolarHBondContact O-CE 3.48Å; E567-K571 WeakPolarHBondContact O-CG 3.41Å; E567-K571 PolarHBondContact O-NZ 2.89Å
568E68.3Low70.3Confident117 Ų117122.3 Ų122.355%0.54763%0.629SS.*Hα-helixtrans-89.6-39.3167.7-68.6-168.9123.100111.1N565 K566 E570 K571 L572N565-E568 HydrophobicContact CB-CB 4.04Å; N565-E568 HydrophobicContact CB-CG 3.95Å; N565-E568 WeakPolarHBondContact CB-OE2 3.4Å; N565-E568 PolarHBondContact ND2-OE2 2.87Å; N565-E568 PolarHBondContact O-N 3.06Å; K566-E568 PolarHBondContact O-N 3.08Å; E568-E570 VanDerWaalsContact C-N 3.33Å; E568-E570 PolarHBondContact O-N 3.43Å; E568-K571 WeakPolarHBondContact O-CB 3.33Å; E568-K571 PolarHBondContact O-N 2.99Å; E568-L572 PolarHBondContact O-N 3.03Å
569L65.1Low69.3Low106 Ų106124.9 Ų124.956%0.55565%0.649SS**Hα-helixtrans-62.2-39.6174.6-17062.6000111.9F564 N565 K566 K571 L572F564-L569 HydrophobicContact CE2-CD2 4.39Å; F564-L569 HydrophobicContact CZ-CD2 3.92Å; N565-L569 PolarHBondContact O-N 2.87Å; K566-L569 PolarHBondContact O-N 3.11Å; L569-K571 PolarHBondContact O-N 3.49Å; L569-L572 HydrophobicContact CD1-CD1 4.43Å; L569-L572 PolarHBondContact O-N 2.93Å
570E68.8Low68.4Low142 Ų142126 Ų12666%0.66467%0.665SS**THydrogen-bonded Turntrans-73.2-10.1174.6-69.4-178.8-168.500114.1K566 E568K566-E570 WeakPolarHBondContact CE-OE1 3.07Å; K566-E570 PolarHBondContact O-N 3.25Å; E568-E570 VanDerWaalsContact C-N 3.33Å; E568-E570 PolarHBondContact O-N 3.43Å
571K69.7Low67.6Low153 Ų153127.5 Ų127.567%0.66567%0.665SS**THydrogen-bonded Turntrans-92.1-15.1171.9-73172.9-164.1118.40113.2E567 E568 L569E567-K571 WeakPolarHBondContact O-CD 3.33Å; E567-K571 WeakPolarHBondContact O-CE 3.48Å; E567-K571 WeakPolarHBondContact O-CG 3.41Å; E567-K571 PolarHBondContact O-NZ 2.89Å; E568-K571 WeakPolarHBondContact O-CB 3.33Å; E568-K571 PolarHBondContact O-N 2.99Å; L569-K571 PolarHBondContact O-N 3.49Å
572L63.6Low67.1Low118 Ų118121.8 Ų121.862%0.61864%0.643SS**SBendtrans-74.4130.2172.3-65.7178000109.1E568 L569 A574E568-L572 PolarHBondContact O-N 3.03Å; L569-L572 HydrophobicContact CD1-CD1 4.43Å; L569-L572 PolarHBondContact O-N 2.93Å; L572-A574 PolarHBondContact O-N 3.19Å
573P66.7Low66.8Low117 Ų117119 Ų11976%0.7665%0.645SS**PPolyproline II helixtrans-62.3129175.226.8-33.3000108.7
574A61.9Low66.3Low91 Ų91116.7 Ų116.775%0.75265%0.651SS**PPolyproline II helixtrans-48.1129.6-173.500000111.2L572 K576L572-A574 PolarHBondContact O-N 3.19Å; A574-K576 PolarHBondContact O-N 2.99Å
575P66.4Low66.1Low121 Ų121115.6 Ų115.679%0.78665%0.648SS**PPolyproline II helixtrans-56.9141.317824.5-33.2000109
576K60.4Low66.3Low189 Ų189113.6 Ų113.682%0.82264%0.642SS**PPolyproline II helixtrans-58.3137.6172.6-73.7-173178.864.30107.8A574 E578A574-K576 PolarHBondContact O-N 2.99Å; K576-E578 PolarHBondContact O-N 3.2Å; K576-E578 VanDerWaalsContact O-N 3.15Å
577P59.3Low66.4Low126 Ų126113.3 Ų113.382%0.81865%0.645SS**PPolyproline II helixtrans-58.1124173.925.2-33.3000108.6
578E65Low66.7Low174 Ų174113.1 Ų113.181%0.81365%0.648SS**PPolyproline II helixtrans-60.7150.6165.6-74.2-175.6116.500109.3K576 A580K576-E578 PolarHBondContact O-N 3.2Å; K576-E578 VanDerWaalsContact O-N 3.15Å; E578-A580 PolarHBondContact O-N 3.19Å
579P63.1Low67Low119 Ų119112.2 Ų112.277%0.77365%0.646SS**  trans-63.8104.2169.728.2-32.9000108.3M581P579-M581 PolarHBondContact O-N 3.05Å
580A59.5Low67.3Low98 Ų98112.6 Ų112.681%0.8165%0.648SS**  trans-63.3101.4171.600000108.2E578 G582E578-A580 PolarHBondContact O-N 3.19Å; A580-G582 PolarHBondContact O-N 3.31Å
581M61.1Low67.4Low123 Ų123109.2 Ų109.261%0.60664%0.64SS**  trans-54.9130.2-178.8-59.6-158.2-46.800109.4P579 E585 I589P579-M581 PolarHBondContact O-N 3.05Å; M581-E585 WeakPolarHBondContact CA-OE2 3.49Å; M581-I589 HydrophobicContact CE-CD1 4.26Å; M581-I589 HydrophobicContact SD-CD1 4.27Å
582G69Low66.9Low33 Ų33103.4 Ų103.434%0.3462%0.624SS.*  trans-61.1146.1176.300000110.1A580 G584 E585 A586A580-G582 PolarHBondContact O-N 3.31Å; G582-G584 PolarHBondContact O-N 3.09Å; G582-G584 VanDerWaalsContact O-N 3.11Å; G582-E585 PolarHBondContact N-OE2 2.65Å; G582-E585 WeakPolarHBondContact O-CA 3.35Å; G582-E585 WeakPolarHBondContact O-CB 3.49Å; G582-E585 PolarHBondContact O-N 3.46Å; G582-A586 PolarHBondContact O-N 2.85Å
583T65.3Low66.8Low122 Ų122104.2 Ų104.275%0.74863%0.629SS**Hα-helixtrans-57.4-27.4172.446.40000112.1L587T583-L587 WeakPolarHBondContact O-CB 3.44Å; T583-L587 WeakPolarHBondContact O-CD1 3.45Å; T583-L587 VanDerWaalsContact O-CG 3.22Å; T583-L587 WeakPolarHBondContact O-CG 3.23Å; T583-L587 PolarHBondContact O-N 3.5Å; T583-L587 VanDerWaalsContact O-N 3.09Å
584G72.4Confident66.3Low49 Ų49107.2 Ų107.251%0.50563%0.631SS.*Hα-helixtrans-66.5-39.5168.800000114.2G582 L587 D588G582-G584 PolarHBondContact O-N 3.09Å; G582-G584 VanDerWaalsContact O-N 3.11Å; G584-L587 PolarHBondContact O-N 3.45Å; G584-D588 WeakPolarHBondContact O-CB 3.25Å; G584-D588 PolarHBondContact O-N 3.22Å
585E70.4Confident66.1Low114 Ų114109.1 Ų109.153%0.53363%0.633SS.*Hα-helixtrans-71-40.4177.7-62.8174.5140.800111M581 G582 L587 D588 I589M581-E585 WeakPolarHBondContact CA-OE2 3.49Å; G582-E585 PolarHBondContact N-OE2 2.65Å; G582-E585 WeakPolarHBondContact O-CA 3.35Å; G582-E585 WeakPolarHBondContact O-CB 3.49Å; G582-E585 PolarHBondContact O-N 3.46Å; E585-L587 VanDerWaalsContact C-N 3.3Å; E585-L587 PolarHBondContact O-N 3.44Å; E585-D588 PolarHBondContact O-N 3.28Å; E585-I589 WeakPolarHBondContact O-CD1 3.38Å; E585-I589 VanDerWaalsContact O-CG1 3.26Å; E585-I589 WeakPolarHBondContact O-CG1 3.33Å; E585-I589 PolarHBondContact O-N 2.7Å
586A74.6Confident65Low36 Ų36107.1 Ų107.130%0.29862%0.622SS.*Hα-helixtrans-60.6-39.8172.700000112G582 L590G582-A586 PolarHBondContact O-N 2.85Å; A586-L590 WeakPolarHBondContact O-CB 3.41Å; A586-L590 WeakPolarHBondContact O-CD1 3.44Å; A586-L590 WeakPolarHBondContact O-CG 3.5Å; A586-L590 PolarHBondContact O-N 3.22Å; A586-L590 VanDerWaalsContact O-N 3.1Å
587L75.6Confident64.6Low107 Ų107103.9 Ų103.956%0.5662%0.623SS**Hα-helixtrans-74-32.1175.8-72.4170.9000113.2T583 G584 E585 L590 S591T583-L587 WeakPolarHBondContact O-CB 3.44Å; T583-L587 WeakPolarHBondContact O-CD1 3.45Å; T583-L587 VanDerWaalsContact O-CG 3.22Å; T583-L587 WeakPolarHBondContact O-CG 3.23Å; T583-L587 PolarHBondContact O-N 3.5Å; T583-L587 VanDerWaalsContact O-N 3.09Å; G584-L587 PolarHBondContact O-N 3.45Å; E585-L587 VanDerWaalsContact C-N 3.3Å; E585-L587 PolarHBondContact O-N 3.44Å; L587-L590 CarbonylContact O-C 3.57Å; L587-L590 PolarHBondContact O-N 3.14Å; L587-S591 VanDerWaalsContact O-CB 3.25Å; L587-S591 WeakPolarHBondContact O-CB 3.34Å; L587-S591 PolarHBondContact O-N 2.77Å; L587-S591 PolarHBondContact O-OG 3.24Å
588D74.8Confident63.6Low120 Ų120102.7 Ų102.764%0.64262%0.618SS**Hα-helixtrans-68.4-44.4175.5-165.551.1000111.1G584 E585 L590 S591 G592G584-D588 WeakPolarHBondContact O-CB 3.25Å; G584-D588 PolarHBondContact O-N 3.22Å; E585-D588 PolarHBondContact O-N 3.28Å; D588-L590 VanDerWaalsContact C-N 3.34Å; D588-L590 PolarHBondContact O-N 2.89Å; D588-S591 PolarHBondContact O-N 2.98Å; D588-G592 PolarHBondContact O-N 2.88Å
589I74.9Confident62.3Low99 Ų9998.8 Ų98.851%0.50862%0.615SS.*Hα-helixtrans-57-47170.8-67163.5000110.5M581 E585 S591M581-I589 HydrophobicContact CE-CD1 4.26Å; M581-I589 HydrophobicContact SD-CD1 4.27Å; E585-I589 WeakPolarHBondContact O-CD1 3.38Å; E585-I589 VanDerWaalsContact O-CG1 3.26Å; E585-I589 WeakPolarHBondContact O-CG1 3.33Å; E585-I589 PolarHBondContact O-N 2.7Å; I589-S591 PolarHBondContact O-N 3.27Å
590L70.7Confident61.1Low114 Ų11497.1 Ų97.160%0.59761%0.611SS**Hα-helixtrans-69.9-12.6177.3-71.7169.3000114.3A586 L587 D588 F594A586-L590 WeakPolarHBondContact O-CB 3.41Å; A586-L590 WeakPolarHBondContact O-CD1 3.44Å; A586-L590 WeakPolarHBondContact O-CG 3.5Å; A586-L590 PolarHBondContact O-N 3.22Å; A586-L590 VanDerWaalsContact O-N 3.1Å; L587-L590 CarbonylContact O-C 3.57Å; L587-L590 PolarHBondContact O-N 3.14Å; D588-L590 VanDerWaalsContact C-N 3.34Å; D588-L590 PolarHBondContact O-N 2.89Å; L590-F594 VanDerWaalsContact O-CD2 3.26Å; L590-F594 WeakPolarHBondContact O-CD2 3.4Å; L590-F594 WeakPolarHBondContact O-CE2 3.43Å
591S71.3Confident59.9Low70 Ų7097.9 Ų97.949%0.4961%0.608SS.*Hα-helixtrans-103.4-31.3-179.3-59.60000113.3L587 D588 I589 D593 F594L587-S591 VanDerWaalsContact O-CB 3.25Å; L587-S591 WeakPolarHBondContact O-CB 3.34Å; L587-S591 PolarHBondContact O-N 2.77Å; L587-S591 PolarHBondContact O-OG 3.24Å; D588-S591 PolarHBondContact O-N 2.98Å; I589-S591 PolarHBondContact O-N 3.27Å; S591-D593 PolarHBondContact O-N 2.95Å; S591-F594 PolarHBondContact O-N 3.4Å
592G58.9Low58.4Low32 Ų3297.6 Ų97.633%0.3361%0.613SS.*Hα-helixtrans-63-40.8-179.100000113.3D588 F594 T595 S596D588-G592 PolarHBondContact O-N 2.88Å; G592-F594 PolarHBondContact O-N 2.93Å; G592-T595 PolarHBondContact O-N 2.92Å; G592-S596 PolarHBondContact O-N 3.11Å; G592-S596 VanDerWaalsContact O-N 3.12Å
593D60.9Low56.7Low135 Ų135102 Ų10272%0.72264%0.639SS**THydrogen-bonded Turntrans-67.9-15.5-176.6-77.7-8.3000114S591S591-D593 PolarHBondContact O-N 2.95Å
594F56.6Low55.1Low180 Ų180104 Ų10479%0.78964%0.64SS**THydrogen-bonded Turntrans-87.2-11177.4-75.6-80.8000114.7L590 S591 G592L590-F594 VanDerWaalsContact O-CD2 3.26Å; L590-F594 WeakPolarHBondContact O-CD2 3.4Å; L590-F594 WeakPolarHBondContact O-CE2 3.43Å; S591-F594 PolarHBondContact O-N 3.4Å; G592-F594 PolarHBondContact O-N 2.93Å
595T57.3Low53.3Low130 Ų130105.3 Ų105.380%0.79865%0.645SS**THydrogen-bonded Turntrans-125.7-17.2-179.758.70000114.2G592 S597G592-T595 PolarHBondContact O-N 2.92Å; T595-S597 PolarHBondContact O-N 3.29Å
596S45Very low51.3Low80 Ų80106.6 Ų106.656%0.55966%0.663SS**  trans-87100.4172.6-165.10000111G592 S598G592-S596 PolarHBondContact O-N 3.11Å; G592-S596 VanDerWaalsContact O-N 3.12Å; S596-S598 VanDerWaalsContact C-N 3.33Å; S596-S598 PolarHBondContact O-N 2.85Å
597S50.2Low49.2Very low121 Ų121111 Ų11185%0.84669%0.686SS**  trans-63.995.7165175.50000108.7T595 A599T595-S597 PolarHBondContact O-N 3.29Å; S597-A599 PolarHBondContact O-N 3.42Å
598S39.8Very low46.9Very low101 Ų101108.6 Ų108.671%0.70669%0.687SS**  trans-64.692.4-168.9-167.30000112.4S596 A600S596-S598 VanDerWaalsContact C-N 3.33Å; S596-S598 PolarHBondContact O-N 2.85Å; S598-A600 PolarHBondContact O-N 3.17Å
599A37.9Very low44.9Very low92 Ų92110.9 Ų110.976%0.7670%0.699SS**  trans-62.6115.4169.200000108.4S597S597-A599 PolarHBondContact O-N 3.42Å
600A36.9Very low43Very low83 Ų83111.9 Ų111.969%0.68671%0.712SS**  trans-54.1126.8-167.300000112.4S598 V602S598-A600 PolarHBondContact O-N 3.17Å; A600-V602 PolarHBondContact O-N 3.26Å
601P35Very low40.9Very low114 Ų114111.3 Ų111.374%0.7472%0.717SS**  trans-64.6109.6171.326.1-32.2000108.8S603P601-S603 PolarHBondContact O-N 3.37Å; P601-S603 VanDerWaalsContact O-N 3.14Å
602V29.5Very low39.1Very low118 Ų118112.3 Ų112.372%0.71573%0.73SS**  trans-48.4119.4175.2170.40000109.5A600 Q604A600-V602 PolarHBondContact O-N 3.26Å; V602-Q604 HydrophobicContact CG1-CB 4.38Å; V602-Q604 HydrophobicContact CG1-CG 4.03Å; V602-Q604 PolarHBondContact O-N 2.75Å
603S33.5Very low38.2Very low126 Ų126116.5 Ų116.588%0.88175%0.751SS**  trans-71.576.3169.1-700000109.7P601 A605P601-S603 PolarHBondContact O-N 3.37Å; P601-S603 VanDerWaalsContact O-N 3.14Å; S603-A605 PolarHBondContact O-N 3.45Å
604Q31Very low37.5Very low164 Ų164115.8 Ų115.877%0.76675%0.754SS**PPolyproline II helixtrans-70.7117.8173-113.1177.23.200109V602V602-Q604 HydrophobicContact CG1-CB 4.38Å; V602-Q604 HydrophobicContact CG1-CG 4.03Å; V602-Q604 PolarHBondContact O-N 2.75Å
605A34.3Very low36.2Very low76 Ų76112 Ų11263%0.62876%0.756SS**PPolyproline II helixtrans-61.4158.6168.400000110.6S603 V607S603-A605 PolarHBondContact O-N 3.45Å; A605-V607 PolarHBondContact O-N 3.05Å; A605-V607 VanDerWaalsContact O-N 3.11Å
606P28.6Very low34.9Very low140 Ų140114.3 Ų114.391%0.90976%0.758SS**PPolyproline II helixtrans-59.4116.9-175.7-24.634.7000113.1
607V30.2Very low34.4Very low128 Ų128115.7 Ų115.778%0.77677%0.767SS**PPolyproline II helixtrans-94.5132.1161.4-1720000106.3A605A605-V607 PolarHBondContact O-N 3.05Å; A605-V607 VanDerWaalsContact O-N 3.11Å
608G27.8Very low34.2Very low57 Ų57114.6 Ų114.659%0.58876%0.757SS**  cis117.6147.716.800000109.4
609L32.6Very low33.9Very low169 Ų169117.1 Ų117.189%0.88576%0.763SS**  trans-143.5149.4175.9-78.9-178.6000109.1
610P35.9Very low34.1Very low120 Ų120117.8 Ų117.878%0.77977%0.768SS**  cis-131.8158.827.841.1-26.2000118.1
611S26.9Very low34.4Very low102 Ų102118.1 Ų118.171%0.71377%0.771SS**  trans68.9106.8135.9-172.80000122.2
612A31.6Very low34.7Very low91 Ų91119.9 Ų119.975%0.75277%0.774SS**  trans82.7159.713300000120.1
613P40.9Very low35.6Very low120 Ų120122.1 Ų122.178%0.77979%0.787SS**  trans-109.9-166.4-158.647-38.2000112.2
614P46.1Very low36.2Very low119 Ų119119.6 Ų119.677%0.77377%0.774SS**  cis-142.3-161.66.844.9-24.8000116.4
615A29.4Very low36.8Very low100 Ų100120.6 Ų120.683%0.82678%0.783SS**  trans107.6138.3150.800000119.3
616Q30.5Very low36.8Very low180 Ų180122.1 Ų122.184%0.84180%0.796SS**  trans-92154.3-161.1-58156.5-77.100114.8
617S34.5Very low37.1Very low109 Ų109118.9 Ų118.976%0.76279%0.788SS**  trans63.6175.3139.271.60000119.5
618P45.7Very low37.3Very low98 Ų98119.7 Ų119.764%0.63679%0.788SS**  -133.7175.6-66.339.7-25.8000115.3
619N33.8Very low37.4Very low154 Ų154125.5 Ų125.582%0.82480%0.798SS**  trans75.5160.8159.7-60.7-24.1000119.8
620A41.7Very low37.5Very low105 Ų105124.6 Ų124.687%0.86880%0.798SS**  trans82.332.2158.800000120.8
621A44Very low37.3Very low91 Ų91123.4 Ų123.475%0.75280%0.799SS**  trans-156.8142.7147.200000108.5
622L41.1Very low37.5Very low151 Ų151124.6 Ų124.679%0.79181%0.807SS**  cis-129.1127.112.1-69.7159.5000111A624L622-A624 VanDerWaalsContact C-N 3.33Å; L622-A624 PolarHBondContact O-N 2.85Å
623V47.3Very low37.3Very low164 Ų164126 Ų12699%0.99481%0.812SS**  trans-90.378.1159.7179.30000107.5
624A47.2Very low36.8Very low74 Ų74124.3 Ų124.361%0.61281%0.808SS**  trans-159.5150.217500000110L622L622-A624 VanDerWaalsContact C-N 3.33Å; L622-A624 PolarHBondContact O-N 2.85Å
625L42.1Very low36.5Very low184 Ų184123.5 Ų123.596%0.96381%0.811SS**  trans65.742.7170.4-144.580.9000117.3
626A36Very low36.7Very low108 Ų108124.5 Ų124.589%0.89381%0.809SS**  trans-100.9108.3151.500000108.1
627G32.9Very low36.6Very low72 Ų72120.5 Ų120.574%0.74280%0.801SS**  trans-158.9135.6-176.600000113.1
628D34.7Very low36.3Very low145 Ų145122 Ų12278%0.77581%0.806SS**SBendtrans81.5149.3171.9-142.71.5000118.9
629F30.1Very low35.5Very low180 Ų180125.4 Ų125.479%0.78981%0.81SS**  trans58.479.8175.5-76.9-86.7000121
630V34.8Very low35.1Very low149 Ų149123.8 Ų123.890%0.90381%0.811SS**  trans-138144.6135.8-178.40000108.8
631A32.4Very low34.5Very low96 Ų96123.1 Ų123.179%0.79381%0.805SS**  trans-79.4164.5-176.800000114.4
632S30.8Very low34.1Very low127 Ų127124 Ų12489%0.88880%0.803SS**  trans-69.7129.8-170.3-49.40000115.7
633S28.2Very low33.3Very low121 Ų121122.4 Ų122.485%0.84680%0.804SS**  trans172.1128.8133-175.50000110.4
634A30.4Very low32.5Very low84 Ų84121.3 Ų121.369%0.69480%0.797SS**  cis-160.7149.2-16.200000110
635A38.9Very low31.7Very low101 Ų101121.8 Ų121.884%0.83580%0.8SS**  trans66.1148.6171.500000115.6
636P33.9Very low31.6Very low121 Ų121119 Ų11979%0.78679%0.793SS**  cis-139.3166.640.441.1-22.6000118.8
637S28.2Very low31.1Very low96 Ų96121.3 Ų121.367%0.67179%0.791SS**  trans-9.7130.2152.8173.10000118.7
638V28Very low31.2Very low142 Ų142121.6 Ų121.686%0.86179%0.786SS**  -161.2137.1115.5140.80000111
639K28.5Very low31Very low169 Ų169122.1 Ų122.174%0.73579%0.789SS**  trans-83.7158.4-178.3-64.8168.7152.259.70112.5
640S25.8Very low31.3Very low120 Ų120120.8 Ų120.884%0.83979%0.789SS**  trans70.4142.1150.3-61.70000116.9
641A29.7Very low31.5Very low90 Ų90119.4 Ų119.474%0.74478%0.783SS**  cis-167.3-170.1-500000106.8
642P35.4Very low31.8Very low109 Ų109120.9 Ų120.971%0.70878%0.782SS**  cis-132.8165.9-5.341.2-24.9000116.3
643C24.7Very low31.9Very low119 Ų119123.8 Ų123.880%0.80478%0.782SS**  trans41.7144.8141.9-53.30000121
644V28.9Very low32.5Very low141 Ų141125.6 Ų125.686%0.85578%0.781SS**  cis-147.6149.943.7166.70000111.3
645A31.5Very low33.4Very low83 Ų83127.3 Ų127.369%0.68679%0.785SS**  trans-91.2165.9176.500000113
646P39.4Very low33.8Very low125 Ų125127.1 Ų127.181%0.81278%0.783SS**  -135.3174.490.121.9-1.9000112.5
647D26.1Very low34.4Very low157 Ų157128 Ų12884%0.8478%0.777SS**  cis-176.1179.6-25.6-164.8-5.9000105.7
648A33.6Very low35.5Very low79 Ų79127.4 Ų127.465%0.65378%0.778SS**  trans78.49517400000119.4
649D32.2Very low36.9Very low155 Ų155126.8 Ų126.883%0.82977%0.77SS**  trans50.195.3134.1-61.7-43000123.3
650I35.3Very low38.4Very low152 Ų152122.5 Ų122.578%0.77976%0.755SS**  -5.8129.7121.9-72.4170.8000114.7
651P39.4Very low40.6Very low121 Ų121119.4 Ų119.479%0.78674%0.736SS**  -138.9145.677.638.2-23000119.2
652T38.6Very low42.8Very low127 Ų127121.4 Ų121.478%0.77973%0.734SS**  trans-49.9124.4169.4-500000114.7
653Q32.5Very low44.8Very low188 Ų188121.3 Ų121.388%0.87973%0.727SS**  trans-157.1110.2140.7-116.2173.815.700112.5
654L41.1Very low47.4Very low158 Ų158118.5 Ų118.583%0.82771%0.713SS**  trans-82.1159.3138.7-63.1173.3000106.9
655P49.2Very low49.7Very low121 Ų121116.7 Ų116.779%0.78670%0.698SS**  cis-135.3150.5839-22.7000115.7
656A48.1Very low52.1Low96 Ų96116.3 Ų116.379%0.79369%0.69SS**  trans-179.586.3148.900000111.4
657E46.7Very low53.6Low141 Ų141116.6 Ų116.666%0.65969%0.685SS**  trans-154.933172.9-128.3-176.9148.600115.6D659 N660E657-D659 VanDerWaalsContact C-N 3.3Å; E657-N660 HydrophobicContact CG-CB 3.91Å; E657-N660 VanDerWaalsContact CG-ND2 3.32Å; E657-N660 WeakPolarHBondContact CG-ND2 3.48Å; E657-N660 PolarHBondContact OE1-ND2 3.07Å
658A51.5Low55.7Low82 Ų82114 Ų11468%0.67868%0.675SS**SBendtrans-69.8-30.3170.900000112.1A661A658-A661 WeakPolarHBondContact O-CB 3.44Å; A658-A661 PolarHBondContact O-N 3.34Å
659D56.9Low57.5Low130 Ų130117 Ų11770%0.69568%0.679SS**THydrogen-bonded Turntrans-78.4-36-172.7-53.6-69.7000112.8E657 A661 L662E657-D659 VanDerWaalsContact C-N 3.3Å; D659-A661 PolarHBondContact O-N 2.87Å; D659-A661 VanDerWaalsContact O-N 3.16Å; D659-L662 PolarHBondContact O-N 3.29Å; D659-L662 VanDerWaalsContact O-N 3.15Å
660N59.8Low59.1Low79 Ų79118 Ų11842%0.42268%0.676SS.*Hα-helixtrans-71-6.9176-57.3-8.1000112.7E657 L662 D663 A664E657-N660 HydrophobicContact CG-CB 3.91Å; E657-N660 VanDerWaalsContact CG-ND2 3.32Å; E657-N660 WeakPolarHBondContact CG-ND2 3.48Å; E657-N660 PolarHBondContact OE1-ND2 3.07Å; N660-L662 PolarHBondContact O-N 3.3Å; N660-D663 PolarHBondContact O-N 3.05Å; N660-A664 VanDerWaalsContact O-CB 3.3Å; N660-A664 WeakPolarHBondContact O-CB 3.37Å; N660-A664 PolarHBondContact O-N 3.46Å
661A71.9Confident60.1Low54 Ų54118.6 Ų118.645%0.44668%0.681SS.*Hα-helixtrans-62.2-31.2169.100000111.8A658 D659 L665A658-A661 WeakPolarHBondContact O-CB 3.44Å; A658-A661 PolarHBondContact O-N 3.34Å; D659-A661 PolarHBondContact O-N 2.87Å; D659-A661 VanDerWaalsContact O-N 3.16Å; A661-L665 WeakPolarHBondContact O-CD1 3.29Å; A661-L665 VanDerWaalsContact O-CG 3.23Å; A661-L665 WeakPolarHBondContact O-CG 3.48Å; A661-L665 PolarHBondContact O-N 3Å
662L75.9Confident60.9Low133 Ų133120.7 Ų120.770%0.69668%0.684SS**Hα-helixtrans-78.3-35173.8-64.5179.4000112.1D659 N660 L665 S666D659-L662 PolarHBondContact O-N 3.29Å; D659-L662 VanDerWaalsContact O-N 3.15Å; N660-L662 PolarHBondContact O-N 3.3Å; L662-L665 PolarHBondContact O-N 3.31Å; L662-S666 PolarHBondContact O-N 3.39Å
663D78.4Confident61.8Low106 Ų106118.4 Ų118.457%0.56768%0.677SS**Hα-helixtrans-68.2-44.1177-157.951.5000111.2N660 L665 S666 D667N660-D663 PolarHBondContact O-N 3.05Å; D663-L665 VanDerWaalsContact C-N 3.29Å; D663-L665 PolarHBondContact O-N 2.95Å; D663-S666 CarbonylContact O-C 3.57Å; D663-S666 WeakPolarHBondContact O-CA 3.06Å; D663-S666 VanDerWaalsContact O-CB 3.25Å; D663-S666 WeakPolarHBondContact O-CB 3.12Å; D663-S666 PolarHBondContact O-N 3.21Å; D663-D667 PolarHBondContact O-N 2.86Å
664A77.9Confident62.7Low61 Ų61115.7 Ų115.750%0.50468%0.676SS.*Hα-helixtrans-61.7-34172.200000112.9N660 T668N660-A664 VanDerWaalsContact O-CB 3.3Å; N660-A664 WeakPolarHBondContact O-CB 3.37Å; N660-A664 PolarHBondContact O-N 3.46Å; A664-T668 WeakPolarHBondContact O-CG2 3.49Å; A664-T668 PolarHBondContact O-N 3.42Å
665L77.8Confident63.1Low103 Ų103112.5 Ų112.554%0.53967%0.673SS.*Hα-helixtrans-71.6-36171.3-75.1170.1000111.7A661 L662 D663 T668 L669A661-L665 WeakPolarHBondContact O-CD1 3.29Å; A661-L665 VanDerWaalsContact O-CG 3.23Å; A661-L665 WeakPolarHBondContact O-CG 3.48Å; A661-L665 PolarHBondContact O-N 3Å; L662-L665 PolarHBondContact O-N 3.31Å; D663-L665 VanDerWaalsContact C-N 3.29Å; D663-L665 PolarHBondContact O-N 2.95Å; L665-T668 PolarHBondContact O-N 2.92Å; L665-T668 PolarHBondContact O-OG1 2.94Å; L665-L669 PolarHBondContact O-N 3.48Å
666S80.9Confident63.2Low74 Ų74112.5 Ų112.552%0.51767%0.672SS.*Hα-helixtrans-61-44172.5-164.80000111.4L662 D663 T668 L669L662-S666 PolarHBondContact O-N 3.39Å; D663-S666 CarbonylContact O-C 3.57Å; D663-S666 WeakPolarHBondContact O-CA 3.06Å; D663-S666 VanDerWaalsContact O-CB 3.25Å; D663-S666 WeakPolarHBondContact O-CB 3.12Å; D663-S666 PolarHBondContact O-N 3.21Å; S666-T668 VanDerWaalsContact C-N 3.26Å; S666-T668 PolarHBondContact O-N 2.7Å; S666-L669 CarbonylContact O-C 3.55Å; S666-L669 WeakPolarHBondContact O-CA 3.32Å; S666-L669 WeakPolarHBondContact O-CB 3.5Å; S666-L669 PolarHBondContact O-N 3.12Å
667D71.6Confident63.2Low132 Ų132117 Ų11771%0.70668%0.677SS**Hα-helixtrans-67.4-22.8177.1-113.711.3000113.5D663D663-D667 PolarHBondContact O-N 2.86Å
668T71.1Confident63.1Low102 Ų102116.1 Ų116.163%0.62668%0.684SS**Hα-helixtrans-75.5-22.3166.964.50000113.5A664 L665 S666 K670A664-T668 WeakPolarHBondContact O-CG2 3.49Å; A664-T668 PolarHBondContact O-N 3.42Å; L665-T668 PolarHBondContact O-N 2.92Å; L665-T668 PolarHBondContact O-OG1 2.94Å; S666-T668 VanDerWaalsContact C-N 3.26Å; S666-T668 PolarHBondContact O-N 2.7Å; T668-K670 PolarHBondContact O-N 3.22Å
669L70Confident63.1Low141 Ų141116.3 Ų116.374%0.73869%0.685SS**SBendtrans-92.861.3176.8-71.1172.9000111.7L665 S666 D671L665-L669 PolarHBondContact O-N 3.48Å; S666-L669 CarbonylContact O-C 3.55Å; S666-L669 WeakPolarHBondContact O-CA 3.32Å; S666-L669 WeakPolarHBondContact O-CB 3.5Å; S666-L669 PolarHBondContact O-N 3.12Å; L669-D671 PolarHBondContact O-N 3.09Å
670K67.3Low62.9Low176 Ų176116.3 Ų116.377%0.76569%0.692SS**  trans-53.2132.7177.2-65.7177.1-179175.20112.1T668 I672T668-K670 PolarHBondContact O-N 3.22Å; K670-I672 PolarHBondContact O-N 3.29Å
671D55.4Low62.4Low165 Ų165119.1 Ų119.188%0.88271%0.712SS**  trans-47.6118.9177.5-79-61.8000112.7L669 A673L669-D671 PolarHBondContact O-N 3.09Å; D671-A673 VanDerWaalsContact C-N 3.31Å; D671-A673 PolarHBondContact O-N 3.12Å
672I55.7Low61.2Low166 Ų166122.5 Ų122.585%0.85173%0.73SS**  trans-80.284.6175.3-55.8178.9000108.3K670K670-I672 PolarHBondContact O-N 3.29Å
673A58.5Low60.1Low78 Ų78121.1 Ų121.165%0.64574%0.737SS**PPolyproline II helixtrans-55.2135.6168.300000110.3D671 A675D671-A673 VanDerWaalsContact C-N 3.31Å; D671-A673 PolarHBondContact O-N 3.12Å; A673-A675 PolarHBondContact O-N 2.88Å; A673-A675 VanDerWaalsContact O-N 3.11Å
674P49.9Very low58.8Low131 Ų131125.8 Ų125.885%0.85175%0.752SS**PPolyproline II helixtrans-59.5116.8-178.4-25.935000112.3
675A50.8Low57.1Low92 Ų92129.9 Ų129.976%0.7677%0.766SS**PPolyproline II helixtrans-67.8137.7179.600000111.4A673A673-A675 PolarHBondContact O-N 2.88Å; A673-A675 VanDerWaalsContact O-N 3.11Å
676P51.7Low55.6Low120 Ų120129.9 Ų129.978%0.77977%0.77SS**PPolyproline II helixtrans-68.4143.3-179.228.1-34.8000112
677Q47.8Very low53.9Low190 Ų190133 Ų13389%0.88879%0.785SS**PPolyproline II helixtrans-65.3131.8179.8-78.7-167.5-22.200112.7
678P44.3Very low52.9Low124 Ų124135.4 Ų135.481%0.80579%0.79SS**PPolyproline II helixtrans-74.2138.1164.6-14.630.5000111.9
679A52.4Low52.1Low85 Ų85139.7 Ų139.770%0.70280%0.803SS**PPolyproline II helixtrans-75.8154.9170.900000111.8
680P51.2Low51.7Low130 Ų130142.5 Ų142.584%0.84481%0.809SS**PPolyproline II helixtrans-76.5146.4-171.930.7-36000113.8
681V48.8Very low51.2Low139 Ų139144.2 Ų144.284%0.84282%0.816SS**  trans-140.4156.5175-92.50000110.6
682P47.2Very low50.8Low125 Ų125143.5 Ų143.581%0.81281%0.812SS**  trans-97.2162.5-139.136.4-38.5000116.8
683A53.7Low50.3Low103 Ų103142 Ų14285%0.85181%0.81SS**  trans-82.4120.8-176.400000114.6
684K51.5Low50.1Low204 Ų204146.5 Ų146.589%0.88782%0.817SS**  trans-155146.7158.5-59.1-168.4-179.2-176.30105.6
685D41.7Very low50.5Low148 Ų148147.9 Ų147.979%0.79181%0.813SS**  cis-158.1173.56.7-162.40.4000110.3
686V46.3Very low51.2Low102 Ų102152.8 Ų152.862%0.61882%0.817SS**  trans60.4103.5162.2-163.10000119.8
687V45.4Very low51.7Low139 Ų139154.1 Ų154.184%0.84282%0.816SS**  trans-131.1138.2130.7179.30000108
688K49.4Very low52.7Low184 Ų184150.3 Ų150.380%0.880%0.801SS**PPolyproline II helixtrans-92.5116.6173.8-69.9179.7-179.8176.20109.9
689E55.4Low54.2Low192 Ų192150.6 Ų150.690%0.89779%0.79SS**PPolyproline II helixtrans-65.7145.8175.5-62.6-177.6159.100111.5
690K62.1Low54.9Low200 Ų200153.8 Ų153.887%0.8779%0.792SS**PPolyproline II helixtrans-91.3136.2172.7-64.2175.5-177.1174.60108L692K690-L692 PolarHBondContact O-N 2.9Å; K690-L692 VanDerWaalsContact O-N 3.09Å
691K55.7Low55.6Low211 Ų211149.6 Ų149.692%0.91777%0.773SS**PPolyproline II helixtrans-55.8118.8171.5-81.1-165.8172.5-168.40109.7
692L48.2Very low57Low151 Ų151149.1 Ų149.179%0.79176%0.761SS**PPolyproline II helixtrans-64.8130.3166.2-177.5142.5000108.3K690 E694K690-L692 PolarHBondContact O-N 2.9Å; K690-L692 VanDerWaalsContact O-N 3.09Å; L692-E694 PolarHBondContact O-N 3.28Å
693V44.2Very low58.5Low134 Ų134149.8 Ų149.881%0.81275%0.747SS**PPolyproline II helixtrans-73.9123.4168.6171.60000106.7E695V693-E695 PolarHBondContact O-N 3.1Å
694E54.1Low59.5Low172 Ų172149.4 Ų149.480%0.80473%0.731SS**  trans-58.5103.8-176.1-172.9175.1-152.200110.8L692 K696L692-E694 PolarHBondContact O-N 3.28Å; E694-K696 PolarHBondContact O-N 2.88Å
695E58.3Low60.5Low161 Ų161144.2 Ų144.275%0.75271%0.713SS**  trans-66.4123174.7-172.1179.1161.500108.5V693 L697V693-E695 PolarHBondContact O-N 3.1Å; E695-L697 PolarHBondContact O-N 3.01Å
696K65.9Low62.4Low194 Ų194140.6 Ų140.684%0.84370%0.696SS**  trans-73.680.9-178.9-70.4-176178.7178.40110.5E694 I698E694-K696 PolarHBondContact O-N 2.88Å; K696-I698 PolarHBondContact O-N 2.91Å; K696-I698 VanDerWaalsContact O-N 3.12Å
697L62.1Low63.9Low148 Ų148138.5 Ų138.578%0.77568%0.682SS**  trans-41.1116.3170.9-75.2162.7000110.1E695 K699E695-L697 PolarHBondContact O-N 3.01Å; L697-K699 PolarHBondContact O-N 3.2Å
698I68Low65.6Low110 Ų110135.5 Ų135.556%0.56467%0.665SS**  trans-69.6104.1-179.3-53.8177.7000107.5K696 M700K696-I698 PolarHBondContact O-N 2.91Å; K696-I698 VanDerWaalsContact O-N 3.12Å; I698-M700 HydrophobicContact CB-CE 4.04Å; I698-M700 HydrophobicContact CG2-CE 3.57Å; I698-M700 WeakPolarHBondContact O-CE 3.45Å; I698-M700 PolarHBondContact O-N 3.1Å
699K77.5Confident66.8Low130 Ų130131.7 Ų131.757%0.56566%0.659SS**  trans-67.7110179.5-48.6-170-148.780.10109L697 G701 E702L697-K699 PolarHBondContact O-N 3.2Å; K699-G701 PolarHBondContact O-N 3.48Å; K699-E702 HydrophobicContact CB-CB 4.01Å; K699-E702 WeakPolarHBondContact CB-OE2 3.5Å; K699-E702 WeakPolarHBondContact CD-OE2 3.39Å; K699-E702 WeakPolarHBondContact CG-OE2 2.97Å; K699-E702 IonicContact NZ-OE1 2.81Å; K699-E702 PolarHBondContact NZ-OE1 2.73Å; K699-E702 IonicContact NZ-OE2 2.73Å; K699-E702 PolarHBondContact NZ-OE2 3.01Å; K699-E702 WeakPolarHBondContact O-CB 3.14Å; K699-E702 PolarHBondContact O-N 2.99Å; K699-E702 VanDerWaalsContact O-N 3.09Å
700M65.6Low67.7Low152 Ų152131.2 Ų131.275%0.74966%0.657SS**THydrogen-bonded Turntrans-59.5125.4172.2-64-65.19800108.7I698I698-M700 HydrophobicContact CB-CE 4.04Å; I698-M700 HydrophobicContact CG2-CE 3.57Å; I698-M700 WeakPolarHBondContact O-CE 3.45Å; I698-M700 PolarHBondContact O-N 3.1Å
701G66.9Low68Low43 Ų43128.7 Ų128.744%0.44365%0.646SS.*THydrogen-bonded Turntrans96.9-5.5-17400000116.1K699 R703K699-G701 PolarHBondContact O-N 3.48Å; G701-R703 VanDerWaalsContact C-N 3.28Å; G701-R703 PolarHBondContact O-N 3.33Å
702E77.5Confident69.2Low128 Ų128124.3 Ų124.360%0.59862%0.624SS**SBendtrans-78.6-8.3176.2-175.4167-157.200113.7K699K699-E702 HydrophobicContact CB-CB 4.01Å; K699-E702 WeakPolarHBondContact CB-OE2 3.5Å; K699-E702 WeakPolarHBondContact CD-OE2 3.39Å; K699-E702 WeakPolarHBondContact CG-OE2 2.97Å; K699-E702 IonicContact NZ-OE1 2.81Å; K699-E702 PolarHBondContact NZ-OE1 2.73Å; K699-E702 IonicContact NZ-OE2 2.73Å; K699-E702 PolarHBondContact NZ-OE2 3.01Å; K699-E702 WeakPolarHBondContact O-CB 3.14Å; K699-E702 PolarHBondContact O-N 2.99Å; K699-E702 VanDerWaalsContact O-N 3.09Å
703R78.6Confident70.6Confident139 Ų139119 Ų11953%0.52560%0.598SS.*SBendtrans-107.9138.4175.5-66.5-172.4-179.199.50.9111.3G701 D705 T706G701-R703 VanDerWaalsContact C-N 3.28Å; G701-R703 PolarHBondContact O-N 3.33Å; R703-D705 WeakPolarHBondContact CB-OD1 3.03Å; R703-D705 PolarHBondContact O-N 3.29Å; R703-D705 VanDerWaalsContact O-N 3.12Å; R703-T706 WeakPolarHBondContact O-CB 3.13Å; R703-T706 PolarHBondContact O-N 3.37Å; R703-T706 PolarHBondContact O-OG1 3.49Å
704D74.4Confident71.9Confident95 Ų95116.9 Ų116.951%0.50859%0.586SS.*G310 helixtrans-59.2-23.4177.5-67-54.1000113.2T706 L707D704-T706 PolarHBondContact O-N 3.26Å; D704-L707 PolarHBondContact O-N 3.36Å
705D73.6Confident72.6Confident95 Ų95116.9 Ų116.951%0.50858%0.583SS.*G310 helixtrans-67.7-23.4173.459.323.8000113.5R703 L707 R712R703-D705 WeakPolarHBondContact CB-OD1 3.03Å; R703-D705 PolarHBondContact O-N 3.29Å; R703-D705 VanDerWaalsContact O-N 3.12Å; D705-L707 VanDerWaalsContact C-N 3.31Å; D705-R712 PolarHBondContact O-NH2 3.1Å
706T81.3Confident73.1Confident72 Ų72115.7 Ų115.744%0.44258%0.578SS.*G310 helixtrans-85.3-11.6-178.3-46.30000111.1R703 D704R703-T706 WeakPolarHBondContact O-CB 3.13Å; R703-T706 PolarHBondContact O-N 3.37Å; R703-T706 PolarHBondContact O-OG1 3.49Å; D704-T706 PolarHBondContact O-N 3.26Å
707L78.1Confident73.3Confident59 Ų59110 Ų11031%0.30956%0.557SS.*SBendtrans-73.9144.4170.2-61.5175.7000111D704 D705 F711 R712D704-L707 PolarHBondContact O-N 3.36Å; D705-L707 VanDerWaalsContact C-N 3.31Å; L707-F711 HydrophobicContact CB-CB 4.49Å; L707-R712 HydrophobicContact CB-CG 4.2Å; L707-R712 PolarHBondContact O-NE 3.15Å
708P80.1Confident73.5Confident75 Ų75106.7 Ų106.749%0.48754%0.539SS..  trans-55.9148.1172.3-21.731.7000111.1E710 F711 R712P708-E710 PolarHBondContact O-N 3.19Å; P708-F711 HydrophobicContact CB-CD2 4.27Å; P708-F711 HydrophobicContact CG-CD2 4.4Å; P708-F711 PolarHBondContact O-N 3Å; P708-R712 PolarHBondContact O-N 3.37Å
709P75.1Confident73.4Confident105 Ų105107.7 Ų107.768%0.68254%0.541SS*.G310 helixtrans-52.7-32-173.9-29.536.3000115.2F711P709-F711 VanDerWaalsContact C-N 3.3Å; P709-F711 PolarHBondContact O-N 3.18Å
710E74.3Confident72.8Confident182 Ų182108.4 Ų108.485%0.8554%0.544SS*.G310 helixtrans-71.3-20.3178.7-59.9177.3174.100113.8P708P708-E710 PolarHBondContact O-N 3.19Å
711F68.3Low72.3Confident146 Ų146107.3 Ų107.364%0.6453%0.532SS*.G310 helixtrans-109.40.3-178.5-70.6-88.9000113.5L707 P708 P709 P713L707-F711 HydrophobicContact CB-CB 4.49Å; P708-F711 HydrophobicContact CB-CD2 4.27Å; P708-F711 HydrophobicContact CG-CD2 4.4Å; P708-F711 PolarHBondContact O-N 3Å; P709-F711 VanDerWaalsContact C-N 3.3Å; P709-F711 PolarHBondContact O-N 3.18Å; F711-P713 WeakPolarHBondContact O-CD 3.24Å
712R81.5Confident71.3Confident120 Ų120110.5 Ų110.545%0.45355%0.545SS..SBendtrans-71.2123.8175.3-65.4-173.4-178.9171.1-3.3109.5D705 L707 P708 T714D705-R712 PolarHBondContact O-NH2 3.1Å; L707-R712 HydrophobicContact CB-CG 4.2Å; L707-R712 PolarHBondContact O-NE 3.15Å; P708-R712 PolarHBondContact O-N 3.37Å; R712-T714 PolarHBondContact O-N 3.02Å; R712-T714 VanDerWaalsContact O-N 3.1Å
713P78.3Confident69.7Low39 Ų39111.3 Ų111.325%0.25355%0.546SS..PPolyproline II helixtrans-56.1119.2-178.8-26.935.1000111.5F711 L718F711-P713 WeakPolarHBondContact O-CD 3.24Å; P713-L718 HydrophobicContact CB-CD1 4.24Å; P713-L718 HydrophobicContact CB-CG 4.31Å
714T71.3Confident67.9Low90 Ų90112 Ų11255%0.55256%0.56SS**PPolyproline II helixtrans-66.9156.9179.267.30000110.3R712 E716 D717 L718R712-T714 PolarHBondContact O-N 3.02Å; R712-T714 VanDerWaalsContact O-N 3.1Å; T714-E716 PolarHBondContact O-N 3.24Å; T714-E716 VanDerWaalsContact O-N 3.12Å; T714-D717 PolarHBondContact O-N 3.32Å; T714-L718 PolarHBondContact O-N 2.7Å; T714-L718 VanDerWaalsContact O-N 3.12Å
715K68.2Low66.2Low172 Ų172117.2 Ų117.275%0.74858%0.579SS**THydrogen-bonded Turntrans-56.2-34-177.8-169.1174.2-179.6-179.30112.4E719K715-E719 WeakPolarHBondContact O-CG 3.46Å; K715-E719 PolarHBondContact O-N 3.32Å
716E67.7Low64.2Low136 Ų136117.6 Ų117.664%0.63660%0.595SS**THydrogen-bonded Turntrans-71.2-28.1176.5-62.3-177.4102.700113.7T714 E719 K720T714-E716 PolarHBondContact O-N 3.24Å; T714-E716 VanDerWaalsContact O-N 3.12Å; E716-E719 PolarHBondContact O-N 3.33Å; E716-K720 VanDerWaalsContact O-CD 3.28Å; E716-K720 WeakPolarHBondContact O-CD 3.38Å; E716-K720 WeakPolarHBondContact O-CE 3.37Å; E716-K720 VanDerWaalsContact O-CG 3.22Å; E716-K720 WeakPolarHBondContact O-CG 3.04Å; E716-K720 PolarHBondContact O-N 2.93Å; E716-K720 VanDerWaalsContact O-N 3.14Å
717D70.3Confident62.2Low75 Ų75119.2 Ų119.240%0.40162%0.616SS.*Hα-helixtrans-77.4-36.4176.5-164.861.5000111.4T714 E719 K720 R721T714-D717 PolarHBondContact O-N 3.32Å; D717-E719 PolarHBondContact O-N 2.78Å; D717-K720 PolarHBondContact O-N 2.85Å; D717-K720 VanDerWaalsContact O-N 3.09Å; D717-R721 PolarHBondContact O-N 3.29Å; D717-R721 VanDerWaalsContact O-N 3.15Å
718L66.8Low60.3Low78 Ų78120.6 Ų120.641%0.40864%0.635SS.*Hα-helixtrans-64.3-13.6167.7-90.1157.8000114.5P713 T714 K723P713-L718 HydrophobicContact CB-CD1 4.24Å; P713-L718 HydrophobicContact CB-CG 4.31Å; T714-L718 PolarHBondContact O-N 2.7Å; T714-L718 VanDerWaalsContact O-N 3.12Å; L718-K723 WeakPolarHBondContact O-CE 3.43Å
719E65.8Low58.3Low130 Ų130126.6 Ų126.661%0.60765%0.654SS**Hα-helixtrans-104-10.2170.3-57.7-149.6128.200113.8K715 E716 D717 K723K715-E719 WeakPolarHBondContact O-CG 3.46Å; K715-E719 PolarHBondContact O-N 3.32Å; E716-E719 PolarHBondContact O-N 3.33Å; D717-E719 PolarHBondContact O-N 2.78Å; E719-K723 IonicContact OE1-NZ 2.78Å; E719-K723 PolarHBondContact OE1-NZ 3.25Å; E719-K723 VanDerWaalsContact OE1-NZ 3.07Å
720K65.7Low56.1Low146 Ų146129.4 Ų129.464%0.63566%0.662SS**Hα-helixtrans-86.9-19.4170.7-71.9159.4-165.4165.20112.9E716 D717E716-K720 VanDerWaalsContact O-CD 3.28Å; E716-K720 WeakPolarHBondContact O-CD 3.38Å; E716-K720 WeakPolarHBondContact O-CE 3.37Å; E716-K720 VanDerWaalsContact O-CG 3.22Å; E716-K720 WeakPolarHBondContact O-CG 3.04Å; E716-K720 PolarHBondContact O-N 2.93Å; E716-K720 VanDerWaalsContact O-N 3.14Å; D717-K720 PolarHBondContact O-N 2.85Å; D717-K720 VanDerWaalsContact O-N 3.09Å
721R54.2Low54.3Low128 Ų128129.9 Ų129.948%0.48366%0.662SS.*SBendtrans-74130.9166.8-72.2-169-83.1176.8-4.9110.8D717 K723D717-R721 PolarHBondContact O-N 3.29Å; D717-R721 VanDerWaalsContact O-N 3.15Å; R721-K723 PolarHBondContact O-N 3.23Å
722P46.7Very low52.8Low110 Ų110129.9 Ų129.971%0.71466%0.664SS**  trans-66.2124.1-176.426-33.8000111.9D724P722-D724 VanDerWaalsContact C-N 3.35Å; P722-D724 PolarHBondContact O-N 3.44Å
723K44.6Very low50.9Low146 Ų146130.4 Ų130.464%0.63568%0.682SS**  trans-89.266.8177.6-67.4172.8-175.5165.20110.6L718 E719 R721 K725L718-K723 WeakPolarHBondContact O-CE 3.43Å; E719-K723 IonicContact OE1-NZ 2.78Å; E719-K723 PolarHBondContact OE1-NZ 3.25Å; E719-K723 VanDerWaalsContact OE1-NZ 3.07Å; R721-K723 PolarHBondContact O-N 3.23Å; K723-K725 PolarHBondContact O-N 2.93Å; K723-K725 VanDerWaalsContact O-N 3.16Å
724D39.5Very low48.9Very low152 Ų152133.9 Ų133.981%0.81370%0.698SS**  trans-66.3110.5178.5-74.5-34.6000111.5P722P722-D724 VanDerWaalsContact C-N 3.35Å; P722-D724 PolarHBondContact O-N 3.44Å
725K38.5Very low47.8Very low206 Ų206138.4 Ų138.490%0.89671%0.713SS**  trans-147.557.3-178.1-154.8-179.1-175.7179.40115K723K723-K725 PolarHBondContact O-N 2.93Å; K723-K725 VanDerWaalsContact O-N 3.16Å
726A32.3Very low47.1Very low102 Ų102139.4 Ų139.484%0.84372%0.717SS**SBendtrans-159.2148.3155.600000110.9
727A39.5Very low46.6Very low107 Ų107137.9 Ų137.988%0.88472%0.722SS**  trans-87.2117.7179.900000112.3
728A37.5Very low46.8Very low87 Ų87140 Ų14072%0.71973%0.731SS**  trans-178.4124.6139.800000113.5
729K37.6Very low47.6Very low202 Ų202141 Ų14188%0.87874%0.737SS**  trans57.897155-57.1175.8-179177.50118.8
730L30.3Very low48.5Very low164 Ų164140.8 Ų140.886%0.85974%0.74SS**  -163.9117.5118-109.7163.8000114
731K35.6Very low49.3Very low192 Ų192140.4 Ų140.484%0.83574%0.74SS**  trans5.8131.2162.7-62.7177.3179-176.90121.1
732E37.3Very low50.7Low146 Ų146137.3 Ų137.368%0.68274%0.736SS**  trans-55.4170161.6-49.8166.5113.300114.6L734E732-L734 WeakPolarHBondContact OE1-CD1 3.37Å
733P40.8Very low52.5Low131 Ų131133.8 Ų133.885%0.85172%0.715SS**  -110.1114.1112.731.3-33.5000112.4Q735P733-Q735 PolarHBondContact O-N 2.91Å
734L36.6Very low54.4Low111 Ų111131.2 Ų131.258%0.58171%0.708SS**  trans-64.6114177.917973.5000110.8E732 K736E732-L734 WeakPolarHBondContact OE1-CD1 3.37Å; L734-K736 PolarHBondContact O-N 2.81Å
735Q48.6Very low56.4Low186 Ų186129.7 Ų129.787%0.86970%0.7SS**  trans-67.2118.2152.2-82.1-170.4-32.500107.2P733 S737P733-Q735 PolarHBondContact O-N 2.91Å; Q735-S737 PolarHBondContact O-N 3.12Å
736K53.1Low58.7Low192 Ų192125.4 Ų125.484%0.83569%0.686SS**  trans-65.8105.9178.2-64.2178.9-177.7178.90108.9L734 M738L734-K736 PolarHBondContact O-N 2.81Å; K736-M738 PolarHBondContact O-N 3.12Å
737S57.7Low61.1Low105 Ų105125.7 Ų125.773%0.73467%0.673SS**PPolyproline II helixtrans-56.2133.3159.748.40000108.7Q735Q735-S737 PolarHBondContact O-N 3.12Å
738M74.6Confident63Low119 Ų119124.1 Ų124.159%0.58666%0.656SS**PPolyproline II helixtrans-57.2138.4166.9-162.272.6156.300108.1K736 L746K736-M738 PolarHBondContact O-N 3.12Å; M738-L746 HydrophobicContact CE-CD1 3.5Å; M738-L746 VanDerWaalsContact CE-CD1 3.5Å
739D84.2Confident64.8Low100 Ų100122.9 Ų122.954%0.53565%0.651SS.*PPolyproline II helixtrans-71.9136.9174.3-169.4-61.3000108.6Q741 T742 A743D739-Q741 PolarHBondContact O-N 2.92Å; D739-Q741 VanDerWaalsContact O-N 3.14Å; D739-Q741 WeakPolarHBondContact OD1-CB 3.15Å; D739-Q741 PolarHBondContact OD1-N 2.72Å; D739-T742 WeakPolarHBondContact CB-OG1 3.17Å; D739-T742 PolarHBondContact N-OG1 3.44Å; D739-T742 CarbonylContact O-C 3.59Å; D739-T742 WeakPolarHBondContact O-CA 3.08Å; D739-T742 PolarHBondContact O-N 3.28Å; D739-T742 PolarHBondContact O-OG1 3.3Å; D739-A743 PolarHBondContact O-N 3.3Å
740D83.4Confident66.6Low124 Ų124120.3 Ų120.366%0.66365%0.647SS**Hα-helixtrans-57.3-29.5-179.8-67.8-44.9000111.8A743 L744D740-A743 PolarHBondContact O-N 3.06Å; D740-L744 WeakPolarHBondContact O-CB 3.13Å; D740-L744 VanDerWaalsContact O-CG 3.25Å; D740-L744 WeakPolarHBondContact O-CG 3.17Å; D740-L744 PolarHBondContact O-N 3.36Å
741Q83.9Confident68.3Low138 Ų138120.7 Ų120.765%0.64564%0.642SS**Hα-helixtrans-67.1-40.8172.2-62.6-58.5-81.500112.2D739 A743 L744 D745D739-Q741 PolarHBondContact O-N 2.92Å; D739-Q741 VanDerWaalsContact O-N 3.14Å; D739-Q741 WeakPolarHBondContact OD1-CB 3.15Å; D739-Q741 PolarHBondContact OD1-N 2.72Å; Q741-A743 VanDerWaalsContact C-N 3.34Å; Q741-L744 PolarHBondContact O-N 2.97Å; Q741-D745 WeakPolarHBondContact O-CB 3.5Å; Q741-D745 PolarHBondContact O-N 3.27Å
742T81.8Confident69.2Low64 Ų64116.7 Ų116.739%0.39364%0.638SS.*Hα-helixtrans-70.4-27.7173.2430000113.4D739 L746D739-T742 WeakPolarHBondContact CB-OG1 3.17Å; D739-T742 PolarHBondContact N-OG1 3.44Å; D739-T742 CarbonylContact O-C 3.59Å; D739-T742 WeakPolarHBondContact O-CA 3.08Å; D739-T742 PolarHBondContact O-N 3.28Å; D739-T742 PolarHBondContact O-OG1 3.3Å; T742-L746 WeakPolarHBondContact O-CG 3.28Å; T742-L746 PolarHBondContact O-N 3.46Å
743A84.5Confident69.7Low35 Ų35115.5 Ų115.529%0.28964%0.641SS.*Hα-helixtrans-70.5-42.8171.200000111.5D739 D740 Q741 L747D739-A743 PolarHBondContact O-N 3.3Å; D740-A743 PolarHBondContact O-N 3.06Å; Q741-A743 VanDerWaalsContact C-N 3.34Å; A743-L747 WeakPolarHBondContact O-CB 3.46Å; A743-L747 WeakPolarHBondContact O-CG 3.22Å; A743-L747 PolarHBondContact O-N 3.15Å; A743-L747 VanDerWaalsContact O-N 3.09Å
744L84.6Confident69.9Low93 Ų93114.6 Ų114.649%0.48764%0.635SS.*Hα-helixtrans-71.4-32.4178.1-72170.4000113.4D740 Q741 L747 S748D740-L744 WeakPolarHBondContact O-CB 3.13Å; D740-L744 VanDerWaalsContact O-CG 3.25Å; D740-L744 WeakPolarHBondContact O-CG 3.17Å; D740-L744 PolarHBondContact O-N 3.36Å; Q741-L744 PolarHBondContact O-N 2.97Å; L744-L747 PolarHBondContact O-N 3.09Å; L744-S748 VanDerWaalsContact O-CB 3.26Å; L744-S748 WeakPolarHBondContact O-CB 3.42Å; L744-S748 PolarHBondContact O-N 3.22Å; L744-S748 PolarHBondContact O-OG 3.3Å
745D83.1Confident70Confident119 Ų119117 Ų11764%0.63665%0.649SS**Hα-helixtrans-65.6-47.8174.7-172.158.1000111.2Q741 L747 S748 G749Q741-D745 WeakPolarHBondContact O-CB 3.5Å; Q741-D745 PolarHBondContact O-N 3.27Å; D745-L747 VanDerWaalsContact C-N 3.3Å; D745-L747 PolarHBondContact O-N 3.14Å; D745-S748 PolarHBondContact O-N 3.41Å; D745-G749 PolarHBondContact O-N 3.33Å
746L86.3Confident69.2Low116 Ų116117 Ų11761%0.60765%0.649SS**Hα-helixtrans-58.9-39.6173-72.2172.4000112.4M738 T742M738-L746 HydrophobicContact CE-CD1 3.5Å; M738-L746 VanDerWaalsContact CE-CD1 3.5Å; T742-L746 WeakPolarHBondContact O-CG 3.28Å; T742-L746 PolarHBondContact O-N 3.46Å
747L82Confident68.1Low109 Ų109111.9 Ų111.957%0.57164%0.642SS**Hα-helixtrans-72.8-24.6174.6-74.3166.9000113.5A743 L744 D745 F751A743-L747 WeakPolarHBondContact O-CB 3.46Å; A743-L747 WeakPolarHBondContact O-CG 3.22Å; A743-L747 PolarHBondContact O-N 3.15Å; A743-L747 VanDerWaalsContact O-N 3.09Å; L744-L747 PolarHBondContact O-N 3.09Å; D745-L747 VanDerWaalsContact C-N 3.3Å; D745-L747 PolarHBondContact O-N 3.14Å; L747-F751 WeakPolarHBondContact O-CD2 3.36Å
748S79.3Confident66.8Low74 Ų74112.8 Ų112.852%0.51765%0.649SS.*Hα-helixtrans-82.6-28.1-179.9-620000112.5L744 D745 D750 F751L744-S748 VanDerWaalsContact O-CB 3.26Å; L744-S748 WeakPolarHBondContact O-CB 3.42Å; L744-S748 PolarHBondContact O-N 3.22Å; L744-S748 PolarHBondContact O-OG 3.3Å; D745-S748 PolarHBondContact O-N 3.41Å; S748-D750 VanDerWaalsContact C-N 3.31Å; S748-D750 PolarHBondContact O-N 3.21Å; S748-F751 PolarHBondContact O-N 3.16Å
749G75Confident64.7Low60 Ų60111.1 Ų111.162%0.61965%0.654SS**Hα-helixtrans-58.7-38176.700000113.9D745 F751D745-G749 PolarHBondContact O-N 3.33Å; G749-F751 VanDerWaalsContact C-N 3.3Å; G749-F751 PolarHBondContact O-N 3.07Å
750D75.2Confident62.8Low148 Ų148111.7 Ų111.779%0.79166%0.663SS**THydrogen-bonded Turntrans-74.8-11.8-178.1-89.1-19000114.5S748S748-D750 VanDerWaalsContact C-N 3.31Å; S748-D750 PolarHBondContact O-N 3.21Å
751F66.5Low60.1Low173 Ų173112 Ų11276%0.75967%0.669SS**THydrogen-bonded Turntrans-111.50.2-173.5-74.6-90.9000115.1L747 S748 G749 T753L747-F751 WeakPolarHBondContact O-CD2 3.36Å; S748-F751 PolarHBondContact O-N 3.16Å; G749-F751 VanDerWaalsContact C-N 3.3Å; G749-F751 PolarHBondContact O-N 3.07Å; F751-T753 PolarHBondContact O-N 3.23Å
752S54.8Low57.9Low107 Ų107110.4 Ų110.475%0.74867%0.673SS**SBendtrans-96.586.5-179.1-1350000113.7
753T47.1Very low55.3Low121 Ų121113.8 Ų113.874%0.74269%0.694SS**  trans-37.4170.7167.360.70000118F751F751-T753 PolarHBondContact O-N 3.23Å
754P45.3Very low52.5Low113 Ų113116.7 Ų116.773%0.73472%0.718SS**  cis-143.7173.1-43.342-25.2000114.8
755D38.5Very low49.7Very low161 Ų161117.9 Ų117.986%0.86173%0.729SS**  trans54.9152.2146.8-118.1-33.8000125.6
756Q33.5Very low46.9Very low186 Ų186118.5 Ų118.587%0.86974%0.738SS**  trans98113.7163.6-152.7178.322.200118.5
757A29.6Very low44.2Very low85 Ų85121.5 Ų121.570%0.70275%0.746SS**  cis-163.7149.7-17.500000110.5
758S29.3Very low41.6Very low124 Ų124124.2 Ų124.287%0.86776%0.76SS**  -172.5144.1125.4-156.50000112.8
759A30.8Very low39.2Very low84 Ų84129.2 Ų129.269%0.69478%0.775SS**  trans-142.6177.5167.300000106.6
760P44.8Very low38.5Very low111 Ų111131.2 Ų131.272%0.72178%0.777SS**  cis-140.6-176.66.134.2-10.1000116
761V27.3Very low37.6Very low130 Ų130129.5 Ų129.579%0.78877%0.774SS**  trans47120.9155.7-65.80000123.7
762S36.1Very low35.8Very low105 Ų105127.6 Ų127.673%0.73478%0.776SS**  28137.5128.7-61.40000124.8
763T26.8Very low34.6Very low135 Ų135130 Ų13083%0.82878%0.78SS**  trans85.3114.2142.546.40000123.3
764A27.1Very low34.5Very low97 Ų97129.4 Ų129.480%0.80278%0.778SS**  trans71.9154.515100000118
765T25Very low33.7Very low117 Ų117132.6 Ų132.672%0.71879%0.785SS**  cis-151.515619.641.60000113.4
766T25.5Very low33.2Very low133 Ų133129.6 Ų129.682%0.81678%0.783SS**  trans60.4155.6151.547.90000121.2
767K28.5Very low33Very low179 Ų179125.2 Ų125.278%0.77878%0.778SS**  cis-174.2128.3-15.2164-166.9174-174.90109.7
768L26.7Very low34.1Very low165 Ų165126.9 Ų126.986%0.86478%0.782SS**  trans179.4-179.6138.7-101.7167.6000112.9
769E30.6Very low34.1Very low179 Ų179125.3 Ų125.384%0.83678%0.777SS**  trans-111.6180-153.5-104.8-156.981.300116.2
770P59.8Low34.4Very low102 Ų102129.6 Ų129.666%0.66279%0.787SS**  trans-120.8-128.9-144.248.5-32.4000111.5
771P55.3Low33.6Very low112 Ų112132 Ų13273%0.72779%0.794SS**  cis-97.3-159.6-2.615.110.9000111.5
772V28.8Very low33.9Very low133 Ų133130.7 Ų130.781%0.80679%0.79SS**  cis-147.9-175.315.6-143.30000111.4
773L30.8Very low34.1Very low157 Ų157134 Ų13482%0.82280%0.799SS**  trans-130.2-171.3179.5-63.1170.7000108.9
774P43.5Very low34.3Very low109 Ų109131.9 Ų131.971%0.70880%0.795SS**  cis-142.4179.20.339.3-18.4000118.4
775M29.2Very low34.4Very low180 Ų180134.9 Ų134.989%0.88780%0.798SS**  trans98.8126.6131.3-106.5178.2171.700124.6
776A28.1Very low34.8Very low99 Ų99135.4 Ų135.482%0.81880%0.801SS**  trans82.9144.6135.100000122.8
777A29.4Very low35.2Very low93 Ų93137.4 Ų137.477%0.76981%0.806SS**  trans-140.1-170.9166.800000106.3
778P52.4Low35.6Very low121 Ų121135.3 Ų135.379%0.78681%0.808SS**  cis-130-157.4-9.242.8-24.6000112.5
779A30.6Very low36.2Very low90 Ų90133.2 Ų133.274%0.74480%0.804SS**  trans67.4140170.100000116.2
780L36.3Very low36.1Very low175 Ų175132.5 Ų132.592%0.91681%0.806SS**  cis69.892.425.4-61.7-175.6000116.3
781D28.6Very low34.6Very low160 Ų160131.2 Ų131.286%0.85681%0.805SS**  trans-155.1169.7156.3-150.2-21.8000110.6
782S33Very low33.5Very low103 Ų103133.3 Ų133.372%0.7281%0.808SS**  trans6992170.6-57.60000118.3
783L39.4Very low33.5Very low175 Ų175136.8 Ų136.892%0.91681%0.812SS**  trans-85.1174.5140.1-77.3169.6000109.8
784A31.1Very low33.4Very low90 Ų90134.2 Ų134.274%0.74481%0.813SS**  trans71.7145.3-171.100000113.5
785D29.8Very low32.7Very low160 Ų160138.4 Ų138.486%0.85682%0.821SS**  cis-127.9162.824.6-110.9-43.4000115.5
786T34.6Very low32.8Very low128 Ų128135.3 Ų135.379%0.78582%0.816SS**  trans-119.6108.1-179.352.40000113.4
787L31.9Very low32.8Very low176 Ų176139.4 Ų139.492%0.92182%0.816SS**  trans-142136.2161.1-74.2179.4000111
788T37Very low32.8Very low134 Ų134140.7 Ų140.782%0.82281%0.814SS**  trans-122.4155.3167.160.90000108.2
789P40.1Very low31.7Very low122 Ų122142.3 Ų142.379%0.79282%0.816SS**  -148.8138.393.935.4-17.2000116.8
790D28.1Very low31.8Very low163 Ų163146.8 Ų146.887%0.87282%0.819SS**  trans63.3168.1145.4-137-18.5000121.7
791A29.3Very low31.9Very low76 Ų76144.4 Ų144.463%0.62881%0.814SS**  trans79.6103.2164.200000121.7
792I31.9Very low31.9Very low155 Ų155146.1 Ų146.180%0.79581%0.814SS**  trans68.787134.8-47.8174000119.3
793K28.8Very low31.8Very low206 Ų206149.6 Ų149.690%0.89682%0.816SS**  42.791.7113.5-168.6-174.3-175.6178.40118.7
794A29.1Very low31.2Very low103 Ų103147 Ų14785%0.85180%0.799SS**  trans-141.2163.2156.500000112
795K27.6Very low31.2Very low198 Ų198150 Ų15086%0.86180%0.798SS**  trans-123157.8176.1-77.5-171.5176.9-175.70110.6
796S31.5Very low31.1Very low114 Ų114148.4 Ų148.480%0.79779%0.794SS**  trans73156.2165.589.20000115
797K28.7Very low30.8Very low186 Ų186150.5 Ų150.581%0.80980%0.795SS**  cis-166.3147.7-15.2-122.8179.1-178.7-176.10108.8
798T28.5Very low31.8Very low119 Ų119147.1 Ų147.173%0.7378%0.783SS**  trans72.8145.4146.9-54.50000120.4
799D29.6Very low31.6Very low155 Ų155145.4 Ų145.483%0.82978%0.783SS**  trans97.3161.4155.1-109.8-60.3000123.1
800K32.6Very low31.3Very low185 Ų185144.4 Ų144.480%0.80479%0.785SS**  trans-122.5149.5-147.9-172.6176.1179.4176.80112.7
801P39.4Very low31.5Very low125 Ų125140.6 Ų140.681%0.81278%0.776SS**  trans-93.9175-163.537.2-38.9000116.2
802K28Very low31.6Very low196 Ų196144.1 Ų144.185%0.85278%0.784SS**  trans-142.2118.4170.7-159.3171.7-176.3179.80106.6
803K30.1Very low31.8Very low176 Ų176141.9 Ų141.977%0.76578%0.777SS**  55.6134.989.1-121.1-173.2165.8-145.90112.2
804Q28.1Very low32.1Very low120 Ų120139.2 Ų139.256%0.56177%0.772SS**  cis-169.3165.532-166.2165.4-74.600111.8
805E30Very low32.5Very low154 Ų154139 Ų13972%0.7276%0.764SS**  trans70.8156151.5-101.9160.3154.200119.8
806T27.7Very low32.7Very low125 Ų125134.1 Ų134.177%0.76776%0.761SS**  cis-140.81636.4-41.10000113.3
807Q28.9Very low32.8Very low173 Ų173137.1 Ų137.181%0.80876%0.763SS**  trans-87-163.6175.4-124.8-173.912.700112.4
808P51.8Low33.3Very low105 Ų105135.6 Ų135.668%0.68276%0.762SS**  cis-141.8-175.2-19.736.6-16.1000116.9
809A34.1Very low33.6Very low98 Ų98135.2 Ų135.281%0.8177%0.765SS**  trans72.2148.5142.700000120.5
810A33.5Very low34.1Very low100 Ų100132.7 Ų132.783%0.82676%0.759SS**  cis-158.2-179.7-15.100000107.8
811A33.3Very low33.9Very low83 Ų83131.6 Ų131.669%0.68676%0.762SS**  cis-160.2171.816.100000112.2
812D31.2Very low33.5Very low150 Ų150131.5 Ų131.580%0.80276%0.759SS**  trans39.5144.3137.3-79.829.9000123.4
813V35.8Very low33.8Very low108 Ų108127.9 Ų127.966%0.65575%0.753SS**  cis-168.1155.8-7.5111.70000110.3
814L35.1Very low34.4Very low150 Ų150125.4 Ų125.479%0.78576%0.755SS**  trans12.6157.7153.9-48.8171000121.9
815S36.6Very low34.8Very low98 Ų98125.3 Ų125.369%0.68576%0.763SS**  cis179.5161-15.4-89.60000109.8
816A32.1Very low35Very low97 Ų97122.8 Ų122.880%0.80276%0.762SS**  trans67.6167158.500000116.9
817Q34.1Very low35.3Very low177 Ų177122.3 Ų122.383%0.82776%0.759SS**  cis-148.9-162.6-14.6-140.7-165.2-24.800112
818L38.4Very low35.6Very low153 Ų153120.5 Ų120.580%0.80176%0.76SS**  trans-81.2148.9-173.7-58.6162.3000114.6
819S35.9Very low34.9Very low111 Ų111125.5 Ų125.578%0.77677%0.771SS**  trans-177.1132.9148.8-104.50000108
820S39Very low34.9Very low103 Ų103124.7 Ų124.772%0.7277%0.773SS**  72.1113.453.579.70000115.1
821D28.9Very low35Very low162 Ų162123.7 Ų123.787%0.86677%0.772SS**  -170.2-173.8123.6-151.60.8000112.8
822V30.8Very low35.5Very low122 Ų122129.7 Ų129.774%0.73978%0.783SS**  trans-104.5161.4-158.1173.50000115.3
823V34.8Very low35.9Very low120 Ų120132.1 Ų132.173%0.72781%0.811SS**  trans-61.5158.2176.3-134.60000113.8
824P42.3Very low35.9Very low124 Ų124133.4 Ų133.481%0.80582%0.819SS**  -146.8-165.39640.7-23.9000115.4
825T36.7Very low35.9Very low119 Ų119132.5 Ų132.573%0.7382%0.821SS**  trans-105149.1-15351.40000117.4
826S34.9Very low35.9Very low100 Ų100134.4 Ų134.470%0.69983%0.829SS**  trans82.4161.5135.176.80000123.2
827T34.1Very low36.1Very low116 Ų116136.6 Ų136.671%0.71283%0.83SS**  trans78.394.9157.551.70000122.3
828T34.2Very low36.2Very low134 Ų134134.1 Ų134.182%0.82283%0.83SS**  66.3144.8129.451.80000124.1
829K36.7Very low36.1Very low210 Ų210132.8 Ų132.891%0.91383%0.832SS**  trans98.2113.3145.1-145.2171.1-170.3174.60115.7
830G33.8Very low36.1Very low82 Ų82134.4 Ų134.485%0.84584%0.836SS**  trans-97.1178-178.500000114.7
831G36.7Very low35.9Very low79 Ų79136.8 Ų136.881%0.81485%0.845SS**  trans-153.4145.4176.900000110.9
832K44.1Very low36.4Very low209 Ų209134.7 Ų134.791%0.90984%0.844SS**  trans-70.3145.2-173.1-56.4167.8-179.3175.80112.6
833S38.4Very low37Very low201 Ų201135.8 Ų135.8100%1.40685%0.853SS**  -152.50130-73.60000108.4

Retrieved 833 of 833 residues in 446.4 ms (Link to these results)