A0A5K4FB52_SCHMA Loading...

SH2 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FB52, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,275 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
1M35.7Very low33.4Very low238 Ų238150.6 Ų150.6100%1.17280%0.795SS**  0147.30-71.5-59.1-176.100108.1
2N34.8Very low33.4Very low152 Ų152153 Ų15381%0.81380%0.799SS**  trans-45.1137.3-168.2-57.7-12.5000113.6
3V35.2Very low33Very low122 Ų122156.3 Ų156.374%0.73980%0.803SS**  71.993.253179.60000112.3
4T35.6Very low33Very low119 Ų119158.5 Ų158.573%0.7380%0.804SS**  trans70.7128.5142.160.80000122.9
5S31.3Very low33.2Very low92 Ų92164.8 Ų164.864%0.64381%0.814SS**  93.6139.7119.361.50000121.5
6N31.5Very low33.1Very low131 Ų131163.5 Ų163.570%0.70181%0.81SS**  trans77.2103159.3-55.5-18.9000117.2
7D36.3Very low32.8Very low170 Ų170159.4 Ų159.491%0.90980%0.801SS**  -136.5127.4126.8-93.3-41.9000109.5
8F29.9Very low32.5Very low165 Ų165157.3 Ų157.372%0.72480%0.798SS**  trans-92.9131.5175.8-102.5-117.2000108.4Y10F8-Y10 AromaticContact CD1-CD2 3.82Å; F8-Y10 HydrophobicContact CD1-CD2 3.82Å; F8-Y10 HydrophobicContact CD1-CE2 4.25Å; F8-Y10 HydrophobicContact CE1-CD2 4.03Å; F8-Y10 AromaticContact CE1-CE2 3.98Å; F8-Y10 HydrophobicContact CE1-CE2 3.98Å
9V34.7Very low32.5Very low130 Ų130156.2 Ų156.279%0.78880%0.8SS**  trans-126.198.3156.5-175.70000107.8
10Y27.6Very low32.3Very low196 Ų196154.9 Ų154.977%0.76980%0.8SS**  trans-88.5127.8165.1-115.6-106.3000106.7F8F8-Y10 AromaticContact CD1-CD2 3.82Å; F8-Y10 HydrophobicContact CD1-CD2 3.82Å; F8-Y10 HydrophobicContact CD1-CE2 4.25Å; F8-Y10 HydrophobicContact CE1-CD2 4.03Å; F8-Y10 AromaticContact CE1-CE2 3.98Å; F8-Y10 HydrophobicContact CE1-CE2 3.98Å
11D34.7Very low32.2Very low142 Ų142151 Ų15176%0.75980%0.798SS**  trans-137.3146.3173.6-130.4-22.8000113.6
12E33.9Very low32.1Very low179 Ų179146.6 Ų146.684%0.83678%0.784SS**  trans43.494.6172.7-60.8-156.7115.100121.4
13F28Very low31.8Very low196 Ų196148.3 Ų148.386%0.8679%0.785SS**  trans-76.3127.8138.5-91.7-104.1000110.4
14K33.5Very low31.7Very low187 Ų187149 Ų14981%0.81379%0.789SS**  trans168.4118.5130.2-96.4170.9-176.3179.30113.7
15R35.6Very low31.4Very low253 Ų253150.5 Ų150.596%0.95579%0.793SS**  trans-157124.6132.8-108.6-179.5-151.9-161.87.8112
16L30.9Very low31.4Very low144 Ų144153.9 Ų153.975%0.75480%0.802SS**  trans-74.6169.5168.8-74.383.1000109.9
17S28.2Very low31.4Very low94 Ų94157 Ų15766%0.65781%0.809SS**  cis-170.2152.8-16.4-94.10000110.2
18T27.2Very low31.3Very low122 Ų122155 Ų15575%0.74881%0.806SS**  trans31.3131.8145.462.40000124.2
19T32Very low31.3Very low135 Ų135153.6 Ų153.683%0.82881%0.811SS**  trans-167.4111.8140.719.40000106.4
20T30Very low31Very low131 Ų131151.9 Ų151.980%0.80481%0.81SS**  89.2115.155.458.20000115.9
21G30.5Very low31.2Very low73 Ų73149.2 Ų149.275%0.75381%0.809SS**  trans101.6144.116500000115.5
22T33Very low31.1Very low145 Ų145150.4 Ų150.489%0.8981%0.81SS**  cis-154160.9-7.828.50000109.8
23K29.1Very low30.8Very low188 Ų188149.1 Ų149.182%0.81781%0.809SS**  trans-76.3149.6-176.5-59.4173.7179.5178.80112.9
24T33Very low30.9Very low136 Ų136145 Ų14583%0.83481%0.805SS**  trans-138.9115.3156.523.50000109.8
25D28Very low30.9Very low151 Ų151144.1 Ų144.181%0.80781%0.808SS**  trans-91.8121.8175.2-69.5-63000109.8
26I32.7Very low30.4Very low163 Ų163137.4 Ų137.484%0.83680%0.8SS**  trans-132.3125.8168.1-58.1-178.3000108.7
27K30.6Very low30.4Very low196 Ų196134.7 Ų134.785%0.85280%0.798SS**PPolyproline II helixtrans-73.9148.4-176.2-79-179.4175177.30112.4
28P33.8Very low30.5Very low129 Ų129140.2 Ų140.284%0.83881%0.81SS**PPolyproline II helixtrans-75.4142.5177.631.7-35.1000112.2
29T31.1Very low30.5Very low136 Ų136139.5 Ų139.583%0.83481%0.81SS**PPolyproline II helixtrans-95.9136.2174-10.60000110.1
30A27.8Very low30.7Very low93 Ų93138.3 Ų138.377%0.76980%0.803SS**PPolyproline II helixtrans-94.2134.7176.400000111.1
31N32.5Very low30.7Very low140 Ų140140.1 Ų140.175%0.74981%0.808SS**  trans-147110.5165.1-81.5-43.6000107.2
32Q31.2Very low30.9Very low167 Ų167143.2 Ų143.278%0.7881%0.807SS**  75.395.299.7-69.8-147.5-10.700115.6
33D27.1Very low30.8Very low152 Ų152144.8 Ų144.881%0.81381%0.809SS**  33.5113.1125.7-53.2-29000119.9
34S31.9Very low31.1Very low111 Ų111143.4 Ų143.478%0.77681%0.805SS**  trans-167.7123.8133.520.50000114.7
35L31.7Very low31Very low168 Ų168143.3 Ų143.388%0.8880%0.799SS**  trans64.184.3139.9-58.9170.9000120.5A37L35-A37 PolarHBondContact O-N 3.12Å
36S26.9Very low31.3Very low112 Ų112145.1 Ų145.178%0.78380%0.8SS**  trans-14.2116.1136.6-178.50000115.1
37A29.5Very low31.4Very low86 Ų86147.2 Ų147.271%0.71180%0.799SS**  77.283.159.800000115.6L35L35-A37 PolarHBondContact O-N 3.12Å
38K30.8Very low31.4Very low210 Ų210145.8 Ų145.891%0.91380%0.8SS**  trans-148.575161-74-169.7179.9173.90112.6
39S27.7Very low31.4Very low107 Ų107148.5 Ų148.575%0.74880%0.798SS**SBendtrans-167.4150.2156.1-154.70000113.4
40T34.9Very low31.8Very low111 Ų111148 Ų14868%0.68180%0.797SS**  trans58.390.4166.255.30000118.6N42T40-N42 PolarHBondContact O-N 2.82Å
41D31.2Very low31.9Very low169 Ų169153.3 Ų153.390%0.90480%0.799SS**  trans-67.577.2157.7-65.3-49.1000111.3L43D41-L43 PolarHBondContact O-N 2.87Å
42N33.9Very low32Very low138 Ų138155.5 Ų155.574%0.73880%0.802SS**  trans-79.7106.9163.9-87.3-54.1000109T40 H44T40-N42 PolarHBondContact O-N 2.82Å; N42-H44 VanDerWaalsContact C-N 3.28Å; N42-H44 PolarHBondContact O-N 2.99Å
43L32.1Very low32.1Very low177 Ų177153.5 Ų153.593%0.92780%0.803SS**  trans-64.683.6175.1-74.7166.9000111D41 L45D41-L43 PolarHBondContact O-N 2.87Å; L43-L45 PolarHBondContact O-N 2.91Å
44H34.2Very low32.3Very low160 Ų160155.8 Ų155.874%0.74180%0.802SS**  trans-69.8121.7174.7-166-86.1000109.8N42 F46N42-H44 VanDerWaalsContact C-N 3.28Å; N42-H44 PolarHBondContact O-N 2.99Å; H44-F46 PolarHBondContact O-N 3.22Å
45L31.5Very low32.6Very low133 Ų133156 Ų15670%0.69680%0.8SS**  trans-64.4107.7-174.6-169.568.9000110.4L43 Y47L43-L45 PolarHBondContact O-N 2.91Å; L45-Y47 PolarHBondContact O-N 3.07Å; L45-Y47 VanDerWaalsContact O-N 3.08Å
46F34.1Very low32.6Very low190 Ų190152.6 Ų152.683%0.83380%0.797SS**  trans-69.1106.4175.6-86.1-86.9000110.5H44 L48H44-F46 PolarHBondContact O-N 3.22Å; F46-L48 VanDerWaalsContact C-N 3.29Å; F46-L48 PolarHBondContact O-N 2.75Å
47Y35.3Very low33Very low206 Ų206153.3 Ų153.381%0.80880%0.797SS**  trans-64.989.6162-81.1-94.1000109.5L45 K49L45-Y47 PolarHBondContact O-N 3.07Å; L45-Y47 VanDerWaalsContact O-N 3.08Å; Y47-K49 PolarHBondContact O-N 2.87Å
48L30.2Very low33.3Very low166 Ų166155.5 Ų155.587%0.86980%0.801SS**PPolyproline II helixtrans-62.4117.8166.7-85.8163.5000108.7F46F46-L48 VanDerWaalsContact C-N 3.29Å; F46-L48 PolarHBondContact O-N 2.75Å
49K34.8Very low33.4Very low187 Ų187152.9 Ų152.981%0.81380%0.796SS**PPolyproline II helixtrans-62.4149-177.3-70.5-179.9178.7178.20110.8Y47 Y51Y47-K49 PolarHBondContact O-N 2.87Å; K49-Y51 PolarHBondContact O-N 3.44Å
50P38.6Very low33.7Very low125 Ų125155.2 Ų155.281%0.81280%0.8SS**PPolyproline II helixtrans-56.1138.1-176.621.6-33.5000112.3K52P50-K52 PolarHBondContact O-N 2.78Å
51Y29.6Very low33.7Very low205 Ų205158.5 Ų158.580%0.80481%0.808SS**PPolyproline II helixtrans-53.7132.3175.8-106.6-105.8000110.6K49K49-Y51 PolarHBondContact O-N 3.44Å
52K34.9Very low34Very low186 Ų186158 Ų15881%0.80980%0.804SS**PPolyproline II helixtrans-66.4130.7171-69.1-174.4177.1-176.70108.8P50 Y54P50-K52 PolarHBondContact O-N 2.78Å; K52-Y54 PolarHBondContact O-N 2.87Å
53P34.4Very low33.8Very low125 Ų125157.6 Ų157.681%0.81280%0.803SS**PPolyproline II helixtrans-63.6136.8175.926.1-33.1000110.1
54Y31Very low33.9Very low200 Ų200155.4 Ų155.478%0.78480%0.802SS**PPolyproline II helixtrans-64.3142.9174.6-77.8-92.8000110.3K52 A56K52-Y54 PolarHBondContact O-N 2.87Å; Y54-A56 PolarHBondContact O-N 2.87Å
55P36.6Very low34Very low114 Ų114155.5 Ų155.574%0.7480%0.803SS**PPolyproline II helixtrans-64.1127.6177.626.9-33.5000109.9T57P55-T57 PolarHBondContact O-N 2.87Å; P55-T57 VanDerWaalsContact O-N 3.08Å
56A33.7Very low34.2Very low98 Ų98159.8 Ų159.881%0.8181%0.81SS**  trans-66.3108.5177.900000109.9Y54 T58Y54-A56 PolarHBondContact O-N 2.87Å; A56-T58 PolarHBondContact O-N 3.04Å; A56-T58 VanDerWaalsContact O-N 3.13Å
57T35.2Very low34.3Very low127 Ų127158.2 Ų158.278%0.77981%0.808SS**  trans-67.8108.917146.90000109P55 I59P55-T57 PolarHBondContact O-N 2.87Å; P55-T57 VanDerWaalsContact O-N 3.08Å; T57-I59 PolarHBondContact O-N 3.35Å
58T33.8Very low34.6Very low132 Ų132157.8 Ų157.881%0.8181%0.811SS**  trans-56115.7175.145.50000110.3A56 N60A56-T58 PolarHBondContact O-N 3.04Å; A56-T58 VanDerWaalsContact O-N 3.13Å; T58-N60 PolarHBondContact O-N 2.77Å
59I34.2Very low35.2Very low155 Ų155158.5 Ų158.580%0.79581%0.81SS**  trans-72.4112.7175.2-59.6173000107.1T57 E61T57-I59 PolarHBondContact O-N 3.35Å; I59-E61 PolarHBondContact O-N 2.8Å; I59-E61 VanDerWaalsContact O-N 3.15Å
60N32.7Very low35.4Very low155 Ų155154.1 Ų154.183%0.82981%0.808SS**  trans-68.9110.9174.6-110.3-18000109.4T58 N62T58-N60 PolarHBondContact O-N 2.77Å; N60-N62 VanDerWaalsContact C-N 3.3Å; N60-N62 PolarHBondContact O-N 3.19Å
61E35Very low35.7Very low181 Ų181153.5 Ų153.585%0.84680%0.798SS**  trans-69.877.3177.6-61.8-179.3154.700111.1I59I59-E61 PolarHBondContact O-N 2.8Å; I59-E61 VanDerWaalsContact O-N 3.15Å
62N37.5Very low36.7Very low157 Ų157149.6 Ų149.684%0.8480%0.798SS**  trans-160.454.2172.7-99.2-38.4000114N60N60-N62 VanDerWaalsContact C-N 3.3Å; N60-N62 PolarHBondContact O-N 3.19Å
63N31.6Very low37.3Very low131 Ų131146.9 Ų146.970%0.70179%0.792SS**  trans-15876.2155-130.1-22.5000113.2Q65N63-Q65 PolarHBondContact O-N 3.02Å
64S33.3Very low37.9Very low130 Ų130149.2 Ų149.291%0.90979%0.792SS**  trans-73.260.3172.7-64.20000112.3R66S64-R66 PolarHBondContact O-N 3.37Å
65Q36.8Very low39Very low162 Ų162148.6 Ų148.676%0.75779%0.794SS**  trans-79.577.9172-71.5-165.112.900111.3N63 I67N63-Q65 PolarHBondContact O-N 3.02Å; Q65-I67 PolarHBondContact O-N 3.26Å
66R34.9Very low39.8Very low224 Ų224151 Ų15185%0.84579%0.793SS**  trans33.487.5144.5-166177.6-119.1-111.50.9114.7S64 K68S64-R66 PolarHBondContact O-N 3.37Å; R66-K68 PolarHBondContact O-N 3.35Å
67I36.5Very low41.1Very low156 Ų156150.9 Ų150.980%0.878%0.779SS**  trans-46.1118160.2-61.8170.4000107.3Q65 E69Q65-I67 PolarHBondContact O-N 3.26Å; I67-E69 PolarHBondContact O-N 3.22Å
68K42.4Very low42.4Very low198 Ų198148.6 Ų148.686%0.86176%0.764SS**  trans-69.7104169.8-73.3-177.4179.6177.90106.6R66 A70R66-K68 PolarHBondContact O-N 3.35Å; K68-A70 PolarHBondContact O-N 2.93Å
69E41.7Very low44.3Very low181 Ų181147.3 Ų147.385%0.84675%0.752SS**  trans-52.4108.9173.5-66.2175.9159.200108.8I67 N71I67-E69 PolarHBondContact O-N 3.22Å; E69-N71 PolarHBondContact O-N 2.63Å; E69-N71 VanDerWaalsContact O-N 3.12Å
70A38.5Very low46.6Very low95 Ų95144 Ų14479%0.78574%0.736SS**  trans-63.9114171.900000107.1K68 P72K68-A70 PolarHBondContact O-N 2.93Å; A70-P72 VanDerWaalsContact O-CD 3.29Å; A70-P72 WeakPolarHBondContact O-CD 3.48Å; A70-P72 VanDerWaalsContact O-N 3.11Å
71N45.5Very low48.8Very low111 Ų111141.3 Ų141.359%0.59472%0.722SS**  trans-62.6113.8-169.2-171.5-19.2000109.8E69 N73 E74E69-N71 PolarHBondContact O-N 2.63Å; E69-N71 VanDerWaalsContact O-N 3.12Å; N71-N73 PolarHBondContact O-N 2.77Å; N71-N73 PolarHBondContact OD1-N 2.91Å; N71-N73 PolarHBondContact OD1-ND2 3.07Å; N71-E74 PolarHBondContact O-N 3Å
72P49.8Very low50.8Low124 Ų124139.7 Ų139.781%0.80571%0.712SS**THydrogen-bonded Turntrans-69.41.4-172.328.7-35.8000113.8A70A70-P72 VanDerWaalsContact O-CD 3.29Å; A70-P72 WeakPolarHBondContact O-CD 3.48Å; A70-P72 VanDerWaalsContact O-N 3.11Å
73N49Very low53Low128 Ų128134.7 Ų134.768%0.68469%0.689SS**THydrogen-bonded Turntrans-89.6-2.7175.3-70-51.1000114.6N71 K75N71-N73 PolarHBondContact O-N 2.77Å; N71-N73 PolarHBondContact OD1-N 2.91Å; N71-N73 PolarHBondContact OD1-ND2 3.07Å; N73-K75 PolarHBondContact O-N 2.88Å
74E47.3Very low55.8Low175 Ų175134.1 Ų134.182%0.81868%0.68SS**  trans-73.278.6169.5-166.7164.1-150.900109.9N71 F76N71-E74 PolarHBondContact O-N 3Å; E74-F76 PolarHBondContact O-N 3.46Å
75K52.3Low58.2Low187 Ų187130.7 Ų130.781%0.81366%0.66SS**  trans-59102.3172.1-71.2-176.4179.1179.80108.3N73 N77N73-K75 PolarHBondContact O-N 2.88Å; K75-N77 PolarHBondContact O-N 2.82Å
76F53.3Low60.7Low164 Ų164129.2 Ų129.272%0.71965%0.648SS**  trans-54.9101.1-178.9-163.6-94000109.8E74 T78E74-F76 PolarHBondContact O-N 3.46Å; F76-T78 PolarHBondContact O-N 3.35Å
77N62Low63.3Low96 Ų96125.6 Ų125.651%0.51364%0.636SS.*  trans-77.1101.3-168.9-172.40.1000109.8K75 D79 D80K75-N77 PolarHBondContact O-N 2.82Å; N77-D79 PolarHBondContact O-N 2.94Å; N77-D79 VanDerWaalsContact O-N 3.12Å; N77-D79 WeakPolarHBondContact OD1-CB 3.33Å; N77-D79 PolarHBondContact OD1-N 3.4Å; N77-D79 VanDerWaalsContact OD1-N 3.12Å; N77-D80 PolarHBondContact O-N 2.91Å; N77-D80 VanDerWaalsContact O-N 3.1Å
78T63.1Low65.8Low78 Ų78123.3 Ų123.348%0.47963%0.625SS.*Hα-helixtrans-55-30178.247.20000112.6F76 D80 L81 F82F76-T78 PolarHBondContact O-N 3.35Å; T78-D80 VanDerWaalsContact C-N 3.31Å; T78-D80 PolarHBondContact O-N 2.83Å; T78-L81 WeakPolarHBondContact O-CB 3.25Å; T78-L81 PolarHBondContact O-N 2.92Å; T78-F82 WeakPolarHBondContact O-CD2 3.48Å; T78-F82 PolarHBondContact O-N 3.4Å
79D73.1Confident67.9Low105 Ų105120.2 Ų120.256%0.56161%0.614SS**Hα-helixtrans-72.2-26.6-176.7-56.7-15000112.1N77 S83N77-D79 PolarHBondContact O-N 2.94Å; N77-D79 VanDerWaalsContact O-N 3.12Å; N77-D79 WeakPolarHBondContact OD1-CB 3.33Å; N77-D79 PolarHBondContact OD1-N 3.4Å; N77-D79 VanDerWaalsContact OD1-N 3.12Å; D79-S83 VanDerWaalsContact O-CB 3.29Å; D79-S83 WeakPolarHBondContact O-CB 3.36Å; D79-S83 PolarHBondContact O-N 3.5Å; D79-S83 PolarHBondContact O-OG 3.15Å
80D81.9Confident70.3Confident85 Ų85115.7 Ų115.746%0.45559%0.594SS.*Hα-helixtrans-73.8-34.8171.8-170.856.1000111.4N77 T78 S83 K84N77-D80 PolarHBondContact O-N 2.91Å; N77-D80 VanDerWaalsContact O-N 3.1Å; T78-D80 VanDerWaalsContact C-N 3.31Å; T78-D80 PolarHBondContact O-N 2.83Å; D80-S83 PolarHBondContact O-N 3.22Å; D80-K84 WeakPolarHBondContact O-CB 3.45Å; D80-K84 WeakPolarHBondContact O-CG 3.49Å; D80-K84 PolarHBondContact O-N 2.94Å; D80-K84 WeakPolarHBondContact OD2-CE 3.31Å
81L78.6Confident72.7Confident100 Ų100115.4 Ų115.452%0.52458%0.579SS.*Hα-helixtrans-64.9-44.6174-165.575.5000111.3T78 K84 A85T78-L81 WeakPolarHBondContact O-CB 3.25Å; T78-L81 PolarHBondContact O-N 2.92Å; L81-K84 PolarHBondContact O-N 3.09Å; L81-A85 WeakPolarHBondContact O-CB 3.27Å; L81-A85 PolarHBondContact O-N 2.97Å
82F78.4Confident74.3Confident147 Ų147119.1 Ų119.165%0.64559%0.585SS**Hα-helixtrans-65.9-38.9174.3-72.4-63.4000112.2T78 A85 Y86T78-F82 WeakPolarHBondContact O-CD2 3.48Å; T78-F82 PolarHBondContact O-N 3.4Å; F82-A85 PolarHBondContact O-N 2.74Å; F82-Y86 WeakPolarHBondContact O-CB 3.33Å; F82-Y86 PolarHBondContact O-N 3.41Å
83S83.5Confident75.6Confident52 Ų52117.6 Ų117.636%0.36457%0.569SS.*Hα-helixtrans-61.6-48.2174.2-64.70000111.6D79 D80 A85 Y86 Y87D79-S83 VanDerWaalsContact O-CB 3.29Å; D79-S83 WeakPolarHBondContact O-CB 3.36Å; D79-S83 PolarHBondContact O-N 3.5Å; D79-S83 PolarHBondContact O-OG 3.15Å; D80-S83 PolarHBondContact O-N 3.22Å; S83-A85 PolarHBondContact O-N 3.32Å; S83-Y86 PolarHBondContact O-N 3.49Å; S83-Y87 WeakPolarHBondContact O-CD2 3.45Å; S83-Y87 PolarHBondContact O-N 3.06Å
84K89.3Confident77Confident118 Ų118119.3 Ų119.351%0.51357%0.571SS.*Hα-helixtrans-58.8-47.1175.8-77.6169-177.5-75.60112D80 L81 Y86 Y87 D88D80-K84 WeakPolarHBondContact O-CB 3.45Å; D80-K84 WeakPolarHBondContact O-CG 3.49Å; D80-K84 PolarHBondContact O-N 2.94Å; D80-K84 WeakPolarHBondContact OD2-CE 3.31Å; L81-K84 PolarHBondContact O-N 3.09Å; K84-Y86 VanDerWaalsContact C-N 3.33Å; K84-Y86 PolarHBondContact O-N 3.36Å; K84-Y87 PolarHBondContact O-N 3.06Å; K84-D88 WeakPolarHBondContact O-CB 3.49Å; K84-D88 PolarHBondContact O-N 2.9Å
85A84.4Confident78.3Confident58 Ų58118.5 Ų118.548%0.47957%0.565SS.*Hα-helixtrans-59.4-42.8177.400000112.3L81 F82 S83 D88 E89L81-A85 WeakPolarHBondContact O-CB 3.27Å; L81-A85 PolarHBondContact O-N 2.97Å; F82-A85 PolarHBondContact O-N 2.74Å; S83-A85 PolarHBondContact O-N 3.32Å; A85-D88 PolarHBondContact O-N 2.92Å; A85-E89 WeakPolarHBondContact O-CB 3.32Å; A85-E89 PolarHBondContact O-N 2.95Å
86Y90Very high78.9Confident131 Ų131119.1 Ų119.151%0.51456%0.562SS.*Hα-helixtrans-65.4-44.1176175.7-101.4000112.8F82 S83 K84 E89 M90F82-Y86 WeakPolarHBondContact O-CB 3.33Å; F82-Y86 PolarHBondContact O-N 3.41Å; S83-Y86 PolarHBondContact O-N 3.49Å; K84-Y86 VanDerWaalsContact C-N 3.33Å; K84-Y86 PolarHBondContact O-N 3.36Å; Y86-E89 PolarHBondContact O-N 3.19Å; Y86-M90 HydrophobicContact CE1-CG 4.13Å; Y86-M90 HydrophobicContact CE2-CE 3.91Å; Y86-M90 HydrophobicContact CE2-CG 4.16Å; Y86-M90 WeakPolarHBondContact O-CB 3.31Å; Y86-M90 WeakPolarHBondContact O-CG 3.47Å; Y86-M90 PolarHBondContact O-N 3.23Å; Y86-M90 WeakPolarHBondContact OH-CE 3.47Å
87Y88.2Confident79.3Confident149 Ų149119.5 Ų119.558%0.58457%0.566SS**Hα-helixtrans-65.6-37.2176.4-77.8-63000112.3S83 K84 M90 N91S83-Y87 WeakPolarHBondContact O-CD2 3.45Å; S83-Y87 PolarHBondContact O-N 3.06Å; K84-Y87 PolarHBondContact O-N 3.06Å; Y87-M90 PolarHBondContact O-N 2.96Å; Y87-N91 VanDerWaalsContact O-CB 3.27Å; Y87-N91 WeakPolarHBondContact O-CB 3.26Å; Y87-N91 VanDerWaalsContact O-CG 3.23Å; Y87-N91 PolarHBondContact O-N 3.33Å; Y87-N91 PolarHBondContact O-ND2 3.07Å; Y87-N91 VanDerWaalsContact O-ND2 3.15Å
88D90.4Very high78.8Confident108 Ų108119 Ų11958%0.57857%0.569SS**Hα-helixtrans-66.9-40.3174.2-89.6-9.1000112.5K84 A85 N91 R92K84-D88 WeakPolarHBondContact O-CB 3.49Å; K84-D88 PolarHBondContact O-N 2.9Å; A85-D88 PolarHBondContact O-N 2.92Å; D88-N91 PolarHBondContact O-N 2.95Å; D88-R92 WeakPolarHBondContact O-CB 3.32Å; D88-R92 WeakPolarHBondContact O-CG 3.39Å; D88-R92 PolarHBondContact O-N 3.45Å
89E86.7Confident78.1Confident133 Ų133121.7 Ų121.762%0.62158%0.581SS**Hα-helixtrans-67-41.4174.8-176.6148.5-140.800111.8A85 Y86 R92 L93A85-E89 WeakPolarHBondContact O-CB 3.32Å; A85-E89 PolarHBondContact O-N 2.95Å; Y86-E89 PolarHBondContact O-N 3.19Å; E89-R92 WeakPolarHBondContact O-CB 3.41Å; E89-R92 PolarHBondContact O-N 3.17Å; E89-L93 HydrophobicContact CG-CD1 4.32Å; E89-L93 PolarHBondContact O-N 2.84Å
90M91.8Very high76.8Confident86 Ų86125.1 Ų125.142%0.42459%0.59SS.*Hα-helixtrans-64-40.2173.1-79.7-63.1-161.800112.6Y86 Y87 L93 K94Y86-M90 HydrophobicContact CE1-CG 4.13Å; Y86-M90 HydrophobicContact CE2-CE 3.91Å; Y86-M90 HydrophobicContact CE2-CG 4.16Å; Y86-M90 WeakPolarHBondContact O-CB 3.31Å; Y86-M90 WeakPolarHBondContact O-CG 3.47Å; Y86-M90 PolarHBondContact O-N 3.23Å; Y86-M90 WeakPolarHBondContact OH-CE 3.47Å; Y87-M90 PolarHBondContact O-N 2.96Å; M90-L93 PolarHBondContact O-N 3.21Å; M90-L93 HydrophobicContact SD-CD1 4.43Å; M90-K94 WeakPolarHBondContact O-CB 3.44Å; M90-K94 PolarHBondContact O-N 2.86Å
91N87.8Confident75.2Confident89 Ų89128.7 Ų128.748%0.47661%0.608SS.*Hα-helixtrans-65.5-38174-79.2-33.6000111.9Y87 D88 K94 K95Y87-N91 VanDerWaalsContact O-CB 3.27Å; Y87-N91 WeakPolarHBondContact O-CB 3.26Å; Y87-N91 VanDerWaalsContact O-CG 3.23Å; Y87-N91 PolarHBondContact O-N 3.33Å; Y87-N91 PolarHBondContact O-ND2 3.07Å; Y87-N91 VanDerWaalsContact O-ND2 3.15Å; D88-N91 PolarHBondContact O-N 2.95Å; N91-K94 PolarHBondContact O-N 3.17Å; N91-K95 WeakPolarHBondContact O-CB 3.48Å; N91-K95 WeakPolarHBondContact O-CG 3.46Å; N91-K95 PolarHBondContact O-N 3.49Å
92R79.1Confident73.6Confident189 Ų189129 Ų12971%0.71361%0.61SS**Hα-helixtrans-62.3-45.8171-83.2176.7158.8-172.6-3.2111.9D88 E89 K95 R96D88-R92 WeakPolarHBondContact O-CB 3.32Å; D88-R92 WeakPolarHBondContact O-CG 3.39Å; D88-R92 PolarHBondContact O-N 3.45Å; E89-R92 WeakPolarHBondContact O-CB 3.41Å; E89-R92 PolarHBondContact O-N 3.17Å; R92-K95 PolarHBondContact O-N 3.42Å; R92-R96 VanDerWaalsContact O-CG 3.29Å; R92-R96 WeakPolarHBondContact O-CG 3.3Å; R92-R96 PolarHBondContact O-N 3.24Å
93L76.9Confident72Confident92 Ų92130.8 Ų130.848%0.48262%0.62SS.*Hα-helixtrans-59.7-45.9175.5-94.6151.9000111.8E89 M90 R96 Q97E89-L93 HydrophobicContact CG-CD1 4.32Å; E89-L93 PolarHBondContact O-N 2.84Å; M90-L93 PolarHBondContact O-N 3.21Å; M90-L93 HydrophobicContact SD-CD1 4.43Å; L93-R96 WeakPolarHBondContact O-CB 3.49Å; L93-R96 PolarHBondContact O-N 3.1Å; L93-R96 VanDerWaalsContact O-N 3.12Å; L93-Q97 PolarHBondContact O-N 3.46Å; L93-Q97 VanDerWaalsContact O-N 3.14Å
94K79.2Confident70.3Confident163 Ų163136.3 Ų136.371%0.70964%0.638SS**Hα-helixtrans-64.1-42.3178.9-156.4172.8-174179.90112.1M90 N91 R96 Q97 S98M90-K94 WeakPolarHBondContact O-CB 3.44Å; M90-K94 PolarHBondContact O-N 2.86Å; N91-K94 PolarHBondContact O-N 3.17Å; K94-R96 VanDerWaalsContact C-N 3.26Å; K94-R96 PolarHBondContact O-N 3.45Å; K94-Q97 PolarHBondContact O-N 3.46Å; K94-Q97 VanDerWaalsContact O-N 3.16Å; K94-S98 PolarHBondContact O-N 3.14Å
95K75.6Confident68.1Low159 Ų159134.7 Ų134.769%0.69164%0.641SS**Hα-helixtrans-61.4-30.5172.2-78-176.4177.3-178.30113.4N91 R92 S98N91-K95 WeakPolarHBondContact O-CB 3.48Å; N91-K95 WeakPolarHBondContact O-CG 3.46Å; N91-K95 PolarHBondContact O-N 3.49Å; R92-K95 PolarHBondContact O-N 3.42Å; K95-S98 WeakPolarHBondContact CA-OG 3.29Å; K95-S98 PolarHBondContact O-OG 3.13Å
96R63.5Low66.2Low199 Ų199135.5 Ų135.575%0.75164%0.644SS**Hα-helixtrans-76-26.2175.8-69.7173.277.3165.57.1113.1R92 L93 K94R92-R96 VanDerWaalsContact O-CG 3.29Å; R92-R96 WeakPolarHBondContact O-CG 3.3Å; R92-R96 PolarHBondContact O-N 3.24Å; L93-R96 WeakPolarHBondContact O-CB 3.49Å; L93-R96 PolarHBondContact O-N 3.1Å; L93-R96 VanDerWaalsContact O-N 3.12Å; K94-R96 VanDerWaalsContact C-N 3.26Å; K94-R96 PolarHBondContact O-N 3.45Å
97Q61.1Low64.5Low173 Ų173135.2 Ų135.281%0.80866%0.656SS**Hα-helixtrans-80.9-18.4172-67.3-154.3-12.400113.7L93 K94 L99L93-Q97 PolarHBondContact O-N 3.46Å; L93-Q97 VanDerWaalsContact O-N 3.14Å; K94-Q97 PolarHBondContact O-N 3.46Å; K94-Q97 VanDerWaalsContact O-N 3.16Å; Q97-L99 PolarHBondContact O-N 3.44Å
98S51.6Low63.1Low84 Ų84131.1 Ų131.159%0.58765%0.649SS**THydrogen-bonded Turntrans-79.21.8169.4520000114.5K94 K95 K100K94-S98 PolarHBondContact O-N 3.14Å; K95-S98 WeakPolarHBondContact CA-OG 3.29Å; K95-S98 PolarHBondContact O-OG 3.13Å; S98-K100 PolarHBondContact O-N 3.43Å
99L50.3Low61.6Low136 Ų136130.2 Ų130.271%0.71265%0.651SS**SBendtrans-66.2107159.5-112.691000107Q97 I101Q97-L99 PolarHBondContact O-N 3.44Å; L99-I101 PolarHBondContact O-N 2.93Å
100K45.7Very low60.4Low177 Ų177130.1 Ų130.177%0.7765%0.654SS**  trans-47.2127.6167.5-63.8178.6-179.1179.40107.4S98 D102S98-K100 PolarHBondContact O-N 3.43Å; K100-D102 PolarHBondContact O-N 3.33Å
101I48.3Very low59.3Low160 Ų160127.6 Ų127.682%0.82165%0.645SS**  trans-72.580.9166.4-59169.6000104.6L99 E103L99-I101 PolarHBondContact O-N 2.93Å; I101-E103 PolarHBondContact O-N 2.91Å
102D43.8Very low58.8Low105 Ų105128.2 Ų128.256%0.56165%0.647SS**  trans-55.3124.8169.3-77.3-19.3000106.4K100 F104K100-D102 PolarHBondContact O-N 3.33Å; D102-F104 HydrophobicContact CB-CD2 3.61Å; D102-F104 HydrophobicContact CB-CE2 3.81Å; D102-F104 PolarHBondContact O-N 3.49Å
103E45.9Very low58.7Low186 Ų186124.8 Ų124.887%0.86964%0.642SS**  trans-73.734-171.6-60.6-170.3133.900113I101 S105I101-E103 PolarHBondContact O-N 2.91Å; E103-S105 PolarHBondContact O-N 3.09Å
104F46.9Very low58.8Low167 Ų167122.6 Ų122.673%0.73264%0.637SS**  trans-59.992.1161.5-66.9-62.3000108.5D102 S106D102-F104 HydrophobicContact CB-CD2 3.61Å; D102-F104 HydrophobicContact CB-CE2 3.81Å; D102-F104 PolarHBondContact O-N 3.49Å; F104-S106 VanDerWaalsContact C-N 3.25Å; F104-S106 PolarHBondContact O-N 2.99Å
105S43.2Very low59Low84 Ų84120.4 Ų120.459%0.58763%0.628SS**  trans-53.389.9175.1-169.70000109.2E103 T107E103-S105 PolarHBondContact O-N 3.09Å; S105-T107 PolarHBondContact O-N 3.27Å
106S45.5Very low59.4Low76 Ų76115.3 Ų115.353%0.53162%0.615SS.*  trans-63.6109.4178-76.60000107.4F104 S108 S111F104-S106 VanDerWaalsContact C-N 3.25Å; F104-S106 PolarHBondContact O-N 2.99Å; S106-S108 PolarHBondContact O-N 2.96Å; S106-S108 VanDerWaalsContact O-N 3.17Å; S106-S111 WeakPolarHBondContact CB-OG 3.37Å; S106-S111 PolarHBondContact O-OG 3.05Å
107T53.4Low60.5Low125 Ų125113 Ų11377%0.76761%0.607SS**  trans-75.17.7176.3510000112.6S105 S109S105-T107 PolarHBondContact O-N 3.27Å; T107-S109 PolarHBondContact O-N 3.46Å
108S59Low61.6Low62 Ų62110.6 Ų110.643%0.43460%0.597SS.*  trans-57133.3167.1164.20000110.3S106 L110 S111 I112S106-S108 PolarHBondContact O-N 2.96Å; S106-S108 VanDerWaalsContact O-N 3.17Å; S108-L110 PolarHBondContact O-N 3.19Å; S108-L110 VanDerWaalsContact O-N 3.12Å; S108-L110 PolarHBondContact OG-N 2.9Å; S108-S111 WeakPolarHBondContact CB-OG 3.45Å; S108-S111 PolarHBondContact O-N 2.95Å; S108-S111 VanDerWaalsContact O-N 3.12Å; S108-S111 PolarHBondContact O-OG 3.31Å; S108-I112 WeakPolarHBondContact O-CG1 3.4Å; S108-I112 PolarHBondContact O-N 3.46Å
109S58.7Low63.2Low89 Ų89112.3 Ų112.362%0.62260%0.595SS**Hα-helixtrans-56.1-28.3173.652.50000112.4T107 L113T107-S109 PolarHBondContact O-N 3.46Å; S109-L113 WeakPolarHBondContact O-CB 3.47Å; S109-L113 VanDerWaalsContact O-CG 3.31Å; S109-L113 WeakPolarHBondContact O-CG 3.31Å; S109-L113 PolarHBondContact O-N 3.01Å
110L61.4Low64.9Low132 Ų132111.3 Ų111.369%0.69159%0.587SS**Hα-helixtrans-73.1-39.7178.2-146.884.7000112.5S108 L113 A114S108-L110 PolarHBondContact O-N 3.19Å; S108-L110 VanDerWaalsContact O-N 3.12Å; S108-L110 PolarHBondContact OG-N 2.9Å; L110-L113 PolarHBondContact O-N 3.42Å; L110-A114 WeakPolarHBondContact O-CB 3.27Å; L110-A114 PolarHBondContact O-N 2.95Å
111S69.1Low66.8Low32 Ų32107.1 Ų107.122%0.22457%0.572CS.*Hα-helixtrans-75.8-29.4176.442.30000112.4S106 S108 K115S106-S111 WeakPolarHBondContact CB-OG 3.37Å; S106-S111 PolarHBondContact O-OG 3.05Å; S108-S111 WeakPolarHBondContact CB-OG 3.45Å; S108-S111 PolarHBondContact O-N 2.95Å; S108-S111 VanDerWaalsContact O-N 3.12Å; S108-S111 PolarHBondContact O-OG 3.31Å; S111-K115 WeakPolarHBondContact O-CB 3.43Å; S111-K115 WeakPolarHBondContact O-CG 3.25Å; S111-K115 PolarHBondContact O-N 3.15Å
112I77.4Confident68.3Low102 Ų102104.3 Ų104.352%0.52356%0.555SS.*Hα-helixtrans-64.4-46.1169-65.2166.3000110S108 K115 A116S108-I112 WeakPolarHBondContact O-CG1 3.4Å; S108-I112 PolarHBondContact O-N 3.46Å; I112-K115 PolarHBondContact O-N 3.31Å; I112-A116 WeakPolarHBondContact O-CB 3.5Å; I112-A116 PolarHBondContact O-N 3.49Å
113L76.6Confident70.3Confident118 Ų118103.8 Ų103.862%0.61855%0.552SS**Hα-helixtrans-63.4-41.7174.9-78.9166.7000112.6S109 L110 A116 Y117S109-L113 WeakPolarHBondContact O-CB 3.47Å; S109-L113 VanDerWaalsContact O-CG 3.31Å; S109-L113 WeakPolarHBondContact O-CG 3.31Å; S109-L113 PolarHBondContact O-N 3.01Å; L110-L113 PolarHBondContact O-N 3.42Å; L113-A116 PolarHBondContact O-N 3.46Å; L113-Y117 WeakPolarHBondContact O-CB 3.41Å; L113-Y117 PolarHBondContact O-N 2.92Å
114A78.6Confident72Confident45 Ų4599.4 Ų99.437%0.37254%0.535SS..Hα-helixtrans-61.1-50.5175.600000111.5L110 A116 Y117 E118L110-A114 WeakPolarHBondContact O-CB 3.27Å; L110-A114 PolarHBondContact O-N 2.95Å; A114-A116 VanDerWaalsContact C-N 3.32Å; A114-A116 PolarHBondContact O-N 2.96Å; A114-Y117 PolarHBondContact O-N 2.92Å; A114-Y117 VanDerWaalsContact O-N 3.17Å; A114-E118 WeakPolarHBondContact O-CB 3.43Å; A114-E118 WeakPolarHBondContact O-CG 3.32Å; A114-E118 PolarHBondContact O-N 3.08Å
115K84.2Confident73.7Confident117 Ų11797.8 Ų97.851%0.50953%0.528SS..Hα-helixtrans-59.8-39.3175.6-79.6-170.3172.6-171.50112.6S111 I112 Q119S111-K115 WeakPolarHBondContact O-CB 3.43Å; S111-K115 WeakPolarHBondContact O-CG 3.25Å; S111-K115 PolarHBondContact O-N 3.15Å; I112-K115 PolarHBondContact O-N 3.31Å; K115-Q119 WeakPolarHBondContact O-CB 3.44Å; K115-Q119 WeakPolarHBondContact O-CG 3.36Å; K115-Q119 PolarHBondContact O-N 3Å
116A84Confident75.4Confident52 Ų5298.1 Ų98.143%0.4352%0.519SS..Hα-helixtrans-64.8-40.8176.600000111.9I112 L113 A114 Q120I112-A116 WeakPolarHBondContact O-CB 3.5Å; I112-A116 PolarHBondContact O-N 3.49Å; L113-A116 PolarHBondContact O-N 3.46Å; A114-A116 VanDerWaalsContact C-N 3.32Å; A114-A116 PolarHBondContact O-N 2.96Å; A116-Q120 WeakPolarHBondContact O-CB 3.5Å; A116-Q120 PolarHBondContact O-N 3.36Å
117Y85.8Confident76.4Confident150 Ų15099.3 Ų99.359%0.58852%0.516SS*.Hα-helixtrans-70.1-41.6177.4-170-111000112.3L113 A114 Q120 I121L113-Y117 WeakPolarHBondContact O-CB 3.41Å; L113-Y117 PolarHBondContact O-N 2.92Å; A114-Y117 PolarHBondContact O-N 2.92Å; A114-Y117 VanDerWaalsContact O-N 3.17Å; Y117-Q120 WeakPolarHBondContact O-CB 3.5Å; Y117-Q120 PolarHBondContact O-N 3.16Å; Y117-I121 HydrophobicContact CD1-CD1 3.79Å; Y117-I121 HydrophobicContact CE1-CD1 3.47Å; Y117-I121 VanDerWaalsContact CE1-CD1 3.47Å; Y117-I121 HydrophobicContact CE1-CG1 4.43Å; Y117-I121 WeakPolarHBondContact O-CG1 3.35Å; Y117-I121 PolarHBondContact O-N 3.4Å
118E85.3Confident77.1Confident124 Ų12498.3 Ų98.358%0.57951%0.505SS*.Hα-helixtrans-61.2-46.9173-73.8171.5177.400111.6A114 Q120 I121 E122A114-E118 WeakPolarHBondContact O-CB 3.43Å; A114-E118 WeakPolarHBondContact O-CG 3.32Å; A114-E118 PolarHBondContact O-N 3.08Å; E118-Q120 VanDerWaalsContact C-N 3.3Å; E118-Q120 PolarHBondContact O-N 3.05Å; E118-I121 PolarHBondContact O-N 2.84Å; E118-E122 WeakPolarHBondContact O-CB 3.14Å; E118-E122 PolarHBondContact O-N 3.36Å
119Q84.5Confident77.3Confident120 Ų12099.1 Ų99.156%0.56150%0.504SS*.Hα-helixtrans-60.4-37.9173.2-78.8-174.6-3.800112.4K115 E122 N123K115-Q119 WeakPolarHBondContact O-CB 3.44Å; K115-Q119 WeakPolarHBondContact O-CG 3.36Å; K115-Q119 PolarHBondContact O-N 3Å; Q119-E122 PolarHBondContact O-N 3.41Å; Q119-N123 VanDerWaalsContact O-CB 3.22Å; Q119-N123 WeakPolarHBondContact O-CB 3.25Å; Q119-N123 PolarHBondContact O-N 2.96Å; Q119-N123 PolarHBondContact O-ND2 3.13Å; Q119-N123 VanDerWaalsContact O-ND2 3.13Å
120Q85.2Confident77.2Confident115 Ų115103.8 Ų103.854%0.53751%0.508SS..Hα-helixtrans-64.8-42.9176.3-168.5178.416.200111.4A116 Y117 E118 N124A116-Q120 WeakPolarHBondContact O-CB 3.5Å; A116-Q120 PolarHBondContact O-N 3.36Å; Y117-Q120 WeakPolarHBondContact O-CB 3.5Å; Y117-Q120 PolarHBondContact O-N 3.16Å; E118-Q120 VanDerWaalsContact C-N 3.3Å; E118-Q120 PolarHBondContact O-N 3.05Å; Q120-N124 WeakPolarHBondContact O-CB 3.41Å; Q120-N124 PolarHBondContact O-N 3Å; Q120-N124 PolarHBondContact O-ND2 3.1Å
121I85.3Confident76.6Confident89 Ų89105.1 Ų105.146%0.45651%0.508SS..Hα-helixtrans-63.5-45.9174.7-69.7168.9000110.9Y117 E118 N124 K125Y117-I121 HydrophobicContact CD1-CD1 3.79Å; Y117-I121 HydrophobicContact CE1-CD1 3.47Å; Y117-I121 VanDerWaalsContact CE1-CD1 3.47Å; Y117-I121 HydrophobicContact CE1-CG1 4.43Å; Y117-I121 WeakPolarHBondContact O-CG1 3.35Å; Y117-I121 PolarHBondContact O-N 3.4Å; E118-I121 PolarHBondContact O-N 2.84Å; I121-N124 PolarHBondContact O-N 2.98Å; I121-K125 PolarHBondContact O-N 3.32Å
122E81.7Confident75.8Confident100 Ų100108.4 Ų108.447%0.46753%0.527SS..Hα-helixtrans-68.3-38.7-177.7-156.7-167.3161.400112.1E118 Q119 K125 K126E118-E122 WeakPolarHBondContact O-CB 3.14Å; E118-E122 PolarHBondContact O-N 3.36Å; Q119-E122 PolarHBondContact O-N 3.41Å; E122-K125 PolarHBondContact O-N 3.48Å; E122-K126 VanDerWaalsContact CD-NZ 3.25Å; E122-K126 WeakPolarHBondContact O-CB 3.44Å; E122-K126 WeakPolarHBondContact O-CG 3.22Å; E122-K126 PolarHBondContact O-N 2.9Å; E122-K126 WeakPolarHBondContact OE1-CE 3.48Å; E122-K126 IonicContact OE1-NZ 3.99Å; E122-K126 PolarHBondContact OE1-NZ 2.92Å; E122-K126 IonicContact OE2-NZ 3.55Å
123N85.3Confident74.1Confident94 Ų94109.2 Ų109.250%0.50354%0.537SS..Hα-helixtrans-64-40.9172.5-76.2-30.5000111.8Q119 K125 K126 Q127Q119-N123 VanDerWaalsContact O-CB 3.22Å; Q119-N123 WeakPolarHBondContact O-CB 3.25Å; Q119-N123 PolarHBondContact O-N 2.96Å; Q119-N123 PolarHBondContact O-ND2 3.13Å; Q119-N123 VanDerWaalsContact O-ND2 3.13Å; N123-K125 VanDerWaalsContact C-N 3.34Å; N123-K126 PolarHBondContact O-N 3.06Å; N123-Q127 WeakPolarHBondContact O-CB 3.37Å; N123-Q127 VanDerWaalsContact O-CG 3.25Å; N123-Q127 WeakPolarHBondContact O-CG 3.46Å; N123-Q127 PolarHBondContact O-N 3.35Å
124N82.2Confident72.4Confident94 Ų94108.3 Ų108.350%0.50354%0.541SS..Hα-helixtrans-62.9-40.5173.4-75.1-24.6000111.7Q120 I121 Q127 I128Q120-N124 WeakPolarHBondContact O-CB 3.41Å; Q120-N124 PolarHBondContact O-N 3Å; Q120-N124 PolarHBondContact O-ND2 3.1Å; I121-N124 PolarHBondContact O-N 2.98Å; N124-Q127 WeakPolarHBondContact O-CB 3.34Å; N124-Q127 PolarHBondContact O-N 3.28Å; N124-I128 WeakPolarHBondContact O-CG1 3.31Å; N124-I128 PolarHBondContact O-N 2.88Å
125K82.4Confident70.7Confident133 Ų133113 Ų11358%0.57856%0.558SS**Hα-helixtrans-64.5-49.1176.1-167179.6178.3-1740111.7I121 E122 N123 Q127 I128 D129I121-K125 PolarHBondContact O-N 3.32Å; E122-K125 PolarHBondContact O-N 3.48Å; N123-K125 VanDerWaalsContact C-N 3.34Å; K125-Q127 PolarHBondContact O-N 3Å; K125-I128 WeakPolarHBondContact O-CA 3.34Å; K125-I128 WeakPolarHBondContact O-CB 3.4Å; K125-I128 PolarHBondContact O-N 2.83Å; K125-D129 PolarHBondContact O-N 2.71Å
126K77.3Confident68.4Low92 Ų92117.1 Ų117.140%0.458%0.576SS.*Hα-helixtrans-59-32.9174.9-71.9169.9-177166.30112.7E122 N123 R130E122-K126 VanDerWaalsContact CD-NZ 3.25Å; E122-K126 WeakPolarHBondContact O-CB 3.44Å; E122-K126 WeakPolarHBondContact O-CG 3.22Å; E122-K126 PolarHBondContact O-N 2.9Å; E122-K126 WeakPolarHBondContact OE1-CE 3.48Å; E122-K126 IonicContact OE1-NZ 3.99Å; E122-K126 PolarHBondContact OE1-NZ 2.92Å; E122-K126 IonicContact OE2-NZ 3.55Å; N123-K126 PolarHBondContact O-N 3.06Å; K126-R130 WeakPolarHBondContact O-CB 3.45Å; K126-R130 WeakPolarHBondContact O-CG 3.34Å; K126-R130 PolarHBondContact O-N 3.11Å; K126-R130 VanDerWaalsContact O-N 3.14Å
127Q68.1Low66.3Low100 Ų100125.1 Ų125.147%0.46760%0.595SS.*Hα-helixtrans-69.6-35.6172.5-79.4-82.43.200113.1N123 N124 K125 K131N123-Q127 WeakPolarHBondContact O-CB 3.37Å; N123-Q127 VanDerWaalsContact O-CG 3.25Å; N123-Q127 WeakPolarHBondContact O-CG 3.46Å; N123-Q127 PolarHBondContact O-N 3.35Å; N124-Q127 WeakPolarHBondContact O-CB 3.34Å; N124-Q127 PolarHBondContact O-N 3.28Å; K125-Q127 PolarHBondContact O-N 3Å; Q127-K131 WeakPolarHBondContact O-CD 3.5Å; Q127-K131 VanDerWaalsContact O-CG 3.26Å; Q127-K131 WeakPolarHBondContact O-CG 3.3Å; Q127-K131 PolarHBondContact O-N 2.86Å
128I66.4Low63.8Low105 Ų105124.8 Ų124.854%0.53860%0.604SS.*Hα-helixtrans-69.5-50.2174.8-68161.4000109.7N124 K125 R130 K131 T132N124-I128 WeakPolarHBondContact O-CG1 3.31Å; N124-I128 PolarHBondContact O-N 2.88Å; K125-I128 WeakPolarHBondContact O-CA 3.34Å; K125-I128 WeakPolarHBondContact O-CB 3.4Å; K125-I128 PolarHBondContact O-N 2.83Å; I128-R130 VanDerWaalsContact C-N 3.33Å; I128-R130 PolarHBondContact O-N 3.13Å; I128-K131 WeakPolarHBondContact O-CA 3.47Å; I128-K131 WeakPolarHBondContact O-CB 3.24Å; I128-K131 PolarHBondContact O-N 2.86Å; I128-T132 PolarHBondContact O-N 2.82Å; I128-T132 VanDerWaalsContact O-N 3.08Å; I128-T132 PolarHBondContact O-OG1 2.87Å
129D63.4Low61.4Low79 Ų79128 Ų12842%0.42262%0.618SS.*Hα-helixtrans-59.4-43.8-177.4-61.8-25.6000111.3K125 K131 T132 T133K125-D129 PolarHBondContact O-N 2.71Å; D129-K131 VanDerWaalsContact C-N 3.28Å; D129-K131 PolarHBondContact O-N 2.91Å; D129-T132 WeakPolarHBondContact CA-OG1 3.41Å; D129-T132 PolarHBondContact O-N 3.17Å; D129-T132 VanDerWaalsContact O-N 3.15Å; D129-T132 PolarHBondContact O-OG1 2.79Å; D129-T133 PolarHBondContact O-N 3.38Å; D129-T133 PolarHBondContact O-OG1 3.19Å
130R57Low59.1Low187 Ų187127.2 Ų127.271%0.70663%0.626SS**Hα-helixtrans-63.1-26.8173.6-75.2175.4-179.3-178.20.3114.2K126 I128K126-R130 WeakPolarHBondContact O-CB 3.45Å; K126-R130 WeakPolarHBondContact O-CG 3.34Å; K126-R130 PolarHBondContact O-N 3.11Å; K126-R130 VanDerWaalsContact O-N 3.14Å; I128-R130 VanDerWaalsContact C-N 3.33Å; I128-R130 PolarHBondContact O-N 3.13Å
131K49.7Very low56.4Low159 Ų159131.4 Ų131.469%0.69164%0.643SS**Hα-helixtrans-83.5-19.2176.1-74.8173.9-176.1179.90112.7Q127 I128 D129Q127-K131 WeakPolarHBondContact O-CD 3.5Å; Q127-K131 VanDerWaalsContact O-CG 3.26Å; Q127-K131 WeakPolarHBondContact O-CG 3.3Å; Q127-K131 PolarHBondContact O-N 2.86Å; I128-K131 WeakPolarHBondContact O-CA 3.47Å; I128-K131 WeakPolarHBondContact O-CB 3.24Å; I128-K131 PolarHBondContact O-N 2.86Å; D129-K131 VanDerWaalsContact C-N 3.28Å; D129-K131 PolarHBondContact O-N 2.91Å
132T51Low54Low102 Ų102133.4 Ų133.463%0.62666%0.659SS**Hα-helixtrans-86-17.317750.10000114.5I128 D129 S134I128-T132 PolarHBondContact O-N 2.82Å; I128-T132 VanDerWaalsContact O-N 3.08Å; I128-T132 PolarHBondContact O-OG1 2.87Å; D129-T132 WeakPolarHBondContact CA-OG1 3.41Å; D129-T132 PolarHBondContact O-N 3.17Å; D129-T132 VanDerWaalsContact O-N 3.15Å; D129-T132 PolarHBondContact O-OG1 2.79Å; T132-S134 PolarHBondContact O-N 2.83Å
133T42.3Very low51.4Low119 Ų119134.9 Ų134.973%0.7368%0.675SS**SBendtrans-99.738.7-178.447.50000114D129D129-T133 PolarHBondContact O-N 3.38Å; D129-T133 PolarHBondContact O-OG1 3.19Å
134S40.1Very low48.9Very low99 Ų99138.2 Ų138.269%0.69269%0.693SS**  trans-146.742.8179.8-157.70000114.8T132T132-S134 PolarHBondContact O-N 2.83Å
135I43.8Very low46.6Very low142 Ų142142.4 Ų142.473%0.72871%0.71SS**  trans-127.175.4158.6-53.7-178.1000108.5R137I135-R137 VanDerWaalsContact C-N 3.28Å; I135-R137 HydrophobicContact CG2-CB 4.47Å; I135-R137 HydrophobicContact CG2-CG 4.05Å; I135-R137 PolarHBondContact O-N 2.91Å
136K35.4Very low44.3Very low205 Ų205141.9 Ų141.989%0.89172%0.723SS**  trans-66.593.1154.3-74.5-176.8175-177.20106.9
137R39.5Very low42Very low219 Ų219140.8 Ų140.883%0.82674%0.737SS**  trans-83.5124.1162.8-103.7-175.7-172.3157.64.2107.8I135 E139I135-R137 VanDerWaalsContact C-N 3.28Å; I135-R137 HydrophobicContact CG2-CB 4.47Å; I135-R137 HydrophobicContact CG2-CG 4.05Å; I135-R137 PolarHBondContact O-N 2.91Å; R137-E139 PolarHBondContact O-N 3.31Å
138N34.1Very low40.1Very low144 Ų144143.9 Ų143.977%0.7775%0.752SS**  trans-60.6127.2-177.8-59-30.4000109.9S140N138-S140 VanDerWaalsContact C-N 3.25Å; N138-S140 PolarHBondContact O-N 2.79Å
139E34.7Very low38.4Very low191 Ų191148.6 Ų148.689%0.89377%0.771SS**  trans-74.679.6172.9-66.3178.7165.800109.3R137 K141R137-E139 PolarHBondContact O-N 3.31Å; E139-K141 PolarHBondContact O-N 3.34Å
140S35.8Very low36.8Very low104 Ų104153.9 Ų153.973%0.72779%0.791SS**  trans-69.1100.8167.152.80000109N138 T142N138-S140 VanDerWaalsContact C-N 3.25Å; N138-S140 PolarHBondContact O-N 2.79Å; S140-T142 PolarHBondContact O-N 3.26Å; S140-T142 VanDerWaalsContact O-N 3.16Å
141K29.8Very low35.2Very low202 Ų202150.7 Ų150.788%0.87880%0.797SS**  trans-52.7115.3172.4-69.4175.6176.5177.50110.7E139E139-K141 PolarHBondContact O-N 3.34Å
142T33.6Very low34.2Very low131 Ų131149.1 Ų149.180%0.80481%0.806SS**  trans-130.994.6153.453.20000108.1S140 N144S140-T142 PolarHBondContact O-N 3.26Å; S140-T142 VanDerWaalsContact O-N 3.16Å; T142-N144 PolarHBondContact O-N 2.76Å
143T28.2Very low33Very low132 Ų132148.9 Ų148.981%0.8181%0.809SS**  trans-58.2119.7161.240.50000108.9
144N33.2Very low32.3Very low164 Ų164152.5 Ų152.588%0.87781%0.814SS**  trans-153.1142.9146.9-104.6-15.9000109.6T142T142-N144 PolarHBondContact O-N 2.76Å
145E32.1Very low32.1Very low182 Ų182152.8 Ų152.885%0.8581%0.813SS**  trans-88.2179.8-166-58.2173.7127.700112.1
146S35.4Very low31.4Very low121 Ų121156.6 Ų156.685%0.84683%0.825SS**  trans64.3115.6-177.472.90000114.5
147G28.6Very low31.1Very low69 Ų69154.2 Ų154.271%0.71182%0.815SS**  cis101.298.312.500000110.6
148E27.4Very low30.6Very low166 Ų166153 Ų15378%0.77682%0.818SS**  trans60.299.9163.5-51.4-164.5175.600118.8
149H30.7Very low30.2Very low204 Ų204154.7 Ų154.794%0.94482%0.815SS**  trans-142.5135.6131.9-88.9-59.3000111.8
150K30.6Very low30Very low190 Ų190152.6 Ų152.683%0.82681%0.81SS**  trans-88.8143.8-173.7-68.8170.5-179.8164.50111.7S152K150-S152 PolarHBondContact O-N 2.71Å
151S24.2Very low29.5Very low120 Ų120155.7 Ų155.784%0.83981%0.813SS**  trans14102.5143.7-51.10000118.6
152S28.8Very low29.8Very low126 Ų126154.8 Ų154.888%0.88181%0.812SS**  -169.4138.611250.30000110K150K150-S152 PolarHBondContact O-N 2.71Å
153S25.2Very low29.4Very low97 Ų97156.9 Ų156.968%0.67881%0.812SS**  trans-125.2136.8-170.976.80000112
154K27.2Very low29.5Very low194 Ų194156.8 Ų156.884%0.84381%0.807SS**  trans76.9157.6156.5-55173179.5178.70116.6
155P35.2Very low29.3Very low105 Ų105157.3 Ų157.368%0.68280%0.801SS**  -139.8140.7-6235.7-19000112.8K157P155-K157 PolarHBondContact O-N 2.99Å
156K29.5Very low29Very low222 Ų222154.8 Ų154.897%0.96579%0.792SS**  trans-84.3107.2157.8-86.9-171.9174.3-177.30109.3
157K29.4Very low28.9Very low156 Ų156157.7 Ų157.768%0.67879%0.79SS**  trans-82.1125.8162.5-77.8178.6161.9-163.40108.2P155 Y159P155-K157 PolarHBondContact O-N 2.99Å; K157-Y159 HydrophobicContact CB-CD2 4.43Å; K157-Y159 HydrophobicContact CB-CE2 4.34Å; K157-Y159 HydrophobicContact CD-CE2 3.92Å; K157-Y159 HydrophobicContact CG-CE2 4.14Å
158Q28.5Very low28.8Very low192 Ų192161.8 Ų161.890%0.89779%0.791SS**  trans-136106.7152.8-157.4164.1-7.400106.5
159Y27.1Very low29Very low181 Ų181161.6 Ų161.671%0.7180%0.795SS**  trans-77.8138.5170.7-75.5-107.5000106.8K157K157-Y159 HydrophobicContact CB-CD2 4.43Å; K157-Y159 HydrophobicContact CB-CE2 4.34Å; K157-Y159 HydrophobicContact CD-CE2 3.92Å; K157-Y159 HydrophobicContact CG-CE2 4.14Å
160N28.7Very low28.9Very low147 Ų147157.7 Ų157.779%0.78678%0.781SS**  trans-120119.2159-163.229.8000106.8
161E27.1Very low29Very low169 Ų169156.1 Ų156.179%0.7978%0.78SS**  trans-83.9121.4177.2-68.3168.2148.300107.7
162Q34.1Very low29.2Very low182 Ų182155.6 Ų155.685%0.8578%0.776SS**  trans-127.493.5156.4-86-172.8-33.200108.3
163E26.3Very low29.3Very low175 Ų175155.2 Ų155.282%0.81877%0.774SS**  trans-48.1140.3155.1-51.7174.4138.800109.1
164N29.1Very low29.4Very low131 Ų131157.9 Ų157.970%0.70178%0.78SS**  trans-178.5129.6134.6-102.5-66.6000111.6
165K29.9Very low29.5Very low174 Ų174156.3 Ų156.376%0.75778%0.776SS**  trans71.3147.3139.1-66.6169.4-178.6170.60118.4
166I26.1Very low29Very low129 Ų129158.1 Ų158.166%0.66278%0.775SS**  cis-175.5157-26.5-120.4174.8000105.1
167K33.1Very low28.9Very low183 Ų183155.1 Ų155.180%0.79677%0.769SS**  trans69.6119.8-179.8-65.4148.9-170.6-170.10113.5
168Q25.8Very low28.8Very low155 Ų155154.5 Ų154.572%0.72477%0.773SS**  cis55.990.433-61.6-107-81.200113
169N33.1Very low28.7Very low161 Ų161151.1 Ų151.186%0.86176%0.761SS**  trans-124.4119.5146.8-85.9-4.9000106.2
170D28.2Very low28.7Very low122 Ų122150 Ų15065%0.65277%0.766SS**  trans-86.1-160.5173.2-60.6-67000110.9
171I32.8Very low28.7Very low157 Ų157148.9 Ų148.981%0.80577%0.77SS**  trans8390.1175.5-49.7159.2000111.5
172S27.4Very low29.1Very low109 Ų109144.4 Ų144.476%0.76276%0.762SS**  54.8112.564-580000114.9
173S31.1Very low28.9Very low119 Ų119142.8 Ų142.883%0.83276%0.759SS**  174.6113.8126.9-75.20000110.3
174D27.9Very low29.2Very low152 Ų152143.2 Ų143.281%0.81376%0.761SS**  trans-64.6139150.5-67.2-60.7000108.5
175H27.9Very low29.1Very low161 Ų161146.2 Ų146.275%0.74577%0.771SS**  trans-175.1136.1140.7-96.8-37.2000114.1
176Q26Very low29.4Very low144 Ų144144.2 Ų144.267%0.67377%0.773SS**  trans61.6109140.3-59.5171.24600117.2
177L26.8Very low29.6Very low159 Ų159144.2 Ų144.283%0.83278%0.78SS**  52.895.181.7-68.8-179.4000113
178N27.6Very low29.5Very low143 Ų143144.2 Ų144.277%0.76578%0.78SS**  trans172.9149.2162.2-84.2-31.2000105.1
179N25.5Very low29.5Very low120 Ų120145.5 Ų145.564%0.64278%0.783SS**  cis-169146.9-13.9-111.3-19.1000108.8
180L27.2Very low29.5Very low157 Ų157144.1 Ų144.182%0.82278%0.775SS**  trans69.1160.7147.6-58.2165.8000121.1
181S30.4Very low29.6Very low124 Ų124145.6 Ų145.687%0.86778%0.782SS**  trans68.1127.5-179.8-790000117.3
182A34.2Very low29.5Very low76 Ų76143.4 Ų143.463%0.62878%0.778SS**  cis-156.1172.4-1.800000111.5
183D30.7Very low29.6Very low147 Ų147147.9 Ų147.979%0.78678%0.784SS**  trans65.596.5164.3-44.8-25.3000116.9
184E31.6Very low29.9Very low185 Ų185148.2 Ų148.286%0.86478%0.783SS**  52.790.186.1-67.1-164.3154.800113.5
185E27.8Very low30Very low193 Ų193146.6 Ų146.690%0.90278%0.783SS**  49.188.589.6-73.7-145.4147.300116.7
186V34.9Very low30Very low133 Ų133148.4 Ų148.481%0.80679%0.789SS**  trans-140.8107145.6-178.50000111.7
187T32.1Very low30.4Very low129 Ų129147.7 Ų147.779%0.79180%0.797SS**  trans28120.915655.70000123.4
188K30.2Very low30.6Very low183 Ų183148.8 Ų148.880%0.79680%0.798SS**  trans-25.6155.1140.8-68.2172.8177.81730117.7
189F26.8Very low30.8Very low182 Ų182147.5 Ų147.580%0.79880%0.795SS**  trans40.2137.2138.4-70.4-115.1000118.5
190D31.2Very low31.2Very low131 Ų131149.9 Ų149.970%0.70181%0.806SS**  cis-156.4164.926.8-136.1-30.9000112.3P192D190-P192 WeakPolarHBondContact O-CD 3.5Å
191I31.7Very low31.3Very low153 Ų153146.8 Ų146.879%0.78580%0.795SS**PPolyproline II helixtrans-76.2120.7-174.9-64.2163.6000111.2
192P31.2Very low31.5Very low112 Ų112148.9 Ų148.973%0.72780%0.797SS**PPolyproline II helixtrans-71.3133.7169.2-11.727.6000110.5D190D190-P192 WeakPolarHBondContact O-CD 3.5Å
193K29.6Very low31.3Very low202 Ų202150.4 Ų150.488%0.87880%0.803SS**PPolyproline II helixtrans-65.3144.2168.9-102.4175178.6169.80110.5
194P36.2Very low31.6Very low126 Ų126149.4 Ų149.482%0.81880%0.804SS**PPolyproline II helixtrans-71.5142.2-166.1-17.932.3000113.7
195S30.4Very low31.7Very low118 Ų118146.3 Ų146.383%0.82580%0.8SS**PPolyproline II helixtrans-72.3168.616946.50000112.6
196K28.7Very low31.8Very low200 Ų200142.4 Ų142.487%0.8779%0.794SS**PPolyproline II helixtrans-70.4150.7-174.1-65.9170.6178.1173.70113.1
197P33.7Very low31.6Very low129 Ų129142.2 Ų142.284%0.83879%0.793SS**PPolyproline II helixtrans-81.7163.6167.135.3-35.1000112.6
198E31.7Very low31.6Very low181 Ų181142.7 Ų142.785%0.84679%0.79SS**  trans-112.2131.1-170.1-166.3170.7-163.600112.9
199V30.5Very low31.7Very low117 Ų117139.7 Ų139.771%0.70978%0.783SS**  trans37.8116.1151.5-174.70000120.5
200I33.9Very low32Very low170 Ų170138.3 Ų138.387%0.87278%0.782SS**  trans-127134.8141.7-62.3179.6000107.6
201P30.8Very low32.3Very low92 Ų92137.3 Ų137.360%0.59778%0.783SS**  trans-101.7157.6-172.538.3-35.8000116
202N33.9Very low32.5Very low167 Ų167140 Ų14089%0.89379%0.789SS**  trans84.4141.4153.3-58.4-23.5000120.9
203S29.4Very low32.5Very low108 Ų108145.1 Ų145.176%0.75579%0.794SS**  trans-121.3165.2-155.555.20000114.2
204P36.4Very low32.5Very low126 Ų126143.9 Ų143.982%0.81880%0.796SS**  -143.8173.4106.136-19.9000115.7
205P34Very low32.5Very low120 Ų120144.9 Ų144.978%0.77979%0.79SS**  trans-121167.4-162.441.8-31000117.1
206S31.6Very low32.4Very low111 Ų111147.7 Ų147.778%0.77679%0.789SS**  trans-172124.9141.630.20000115.1
207V30.3Very low32.6Very low130 Ų130147.8 Ų147.879%0.78879%0.786SS**  trans47.1122.1130.1-167.50000117.9
208L31.2Very low32.4Very low138 Ų138149.8 Ų149.872%0.72379%0.79SS**  -170.5150.756.5-167.554.1000114.3
209D33.4Very low32.6Very low120 Ų120152.2 Ų152.264%0.64279%0.791SS**  trans48.5129.6160.7-61-16.5000123.9
210I31.4Very low32.7Very low153 Ų153154.8 Ų154.879%0.78580%0.799SS**  cis113.6137.123.4-75.2172.2000111.8
211P39Very low32.5Very low110 Ų110152.2 Ų152.271%0.71480%0.796SS**  -127.1-172.2-113.944.6-36.4000115.8
212K35Very low32.4Very low210 Ų210156.3 Ų156.391%0.91380%0.804SS**  trans-112.4112.4164-73.9-176.5177.4178.60110.9
213R31.8Very low32.4Very low219 Ų219156.8 Ų156.883%0.82680%0.801SS**  trans-68.4140174.9-87.9-179.2161.6-177.3-7111.8
214L28.5Very low32.4Very low176 Ų176160.5 Ų160.592%0.92180%0.804SS**  trans-139.9108.5152.9-171.974.2000106.5
215E36.1Very low32.6Very low148 Ų148161.8 Ų161.869%0.69280%0.804SS**  trans-128.8146.8173.8-78.9-173.8161.400109.5
216Q30.1Very low32.5Very low176 Ų176163.7 Ų163.782%0.82281%0.806SS**  trans-65.1163.4175-61.3159.2-97.100111.1
217Y31.9Very low32.4Very low203 Ų203167 Ų16780%0.79681%0.807SS**  -173.495.8123.1-88.8-58.3000110.3
218D30.3Very low32.9Very low171 Ų171165.5 Ų165.591%0.91480%0.799SS**  trans-87.8111.7158.5-87-48.1000108.9
219R36Very low33Very low231 Ų231165.1 Ų165.187%0.87280%0.798SS**  trans-138.6132.7165-85.3-169.3174.2178.9-0.6111
220I31.2Very low33.1Very low171 Ų171167.2 Ų167.288%0.87781%0.808SS**  trans-85.7134.7-172-57.2142000110.2
221S31.1Very low33Very low116 Ų116165.3 Ų165.381%0.81180%0.803SS**  trans-162.7161.7146.6-160.50000112.4
222K28.4Very low32.4Very low178 Ų178170.4 Ų170.477%0.77481%0.808SS**  trans-117.7134.9-170.9-54.4-179.4179.7-175.70112.2
223H34.2Very low32.4Very low178 Ų178169.2 Ų169.282%0.82481%0.806SS**  trans-152.5113.2147.6-82.1-84.5000105.9
224K29.4Very low32.2Very low186 Ų186168 Ų16881%0.80981%0.807SS**  57.6102.679.5-80.3-164.5175.8-174.10113.6
225D40Very low32.3Very low153 Ų153165.6 Ų165.682%0.81880%0.8SS**  trans178.8147.1144.2-82.6-25.6000105.8
226L31.3Very low32.2Very low159 Ų159164.7 Ų164.783%0.83281%0.805SS**  cis-165.3156-31.4-113164.1000104.1
227K29.6Very low32.4Very low181 Ų181163.9 Ų163.979%0.78781%0.806SS**  trans-75.7-171.9-177.6-83.3-161176.3-165.30112.5
228P41.8Very low32.3Very low98 Ų98161.8 Ų161.864%0.63681%0.808SS**  cis-141.2173.15.818.410.2000118.7
229D31.8Very low32.7Very low131 Ų131163.6 Ų163.670%0.70181%0.808SS**  trans53.9154.6138.3-52-16.6000120.5
230I35.5Very low32.3Very low164 Ų164161 Ų16184%0.84181%0.81SS**  cis-138.4146.536-71.3170.1000114.6
231T29.9Very low32.4Very low112 Ų112158.1 Ų158.169%0.68781%0.805SS**  trans-50.4136.8175.5-56.70000118.2
232R26.7Very low32.4Very low217 Ų217159.7 Ų159.782%0.81980%0.799SS**  trans5.1140.2140.5-46.3170.3174.7-145.4-3.7118.3
233Q34.2Very low32.6Very low185 Ų185161.6 Ų161.686%0.86480%0.802SS**  -141.2145.9128.6-73.2-150.910.200111.5
234F27.6Very low33Very low194 Ų194157.8 Ų157.885%0.85179%0.793SS**  trans-126.1136.6169.3-87.1-92.7000106.8
235T31.4Very low33.3Very low126 Ų126156.6 Ų156.677%0.77380%0.795SS**  trans-159.6131.6155.29.30000108.7
236T33.5Very low32.9Very low129 Ų129157.2 Ų157.279%0.79179%0.791SS**  trans-111.4128.5174.744.20000108
237D33.8Very low33.2Very low159 Ų159157.4 Ų157.485%0.8579%0.793SS**  trans-130.9113171.2-86.3-51.7000110.1
238D31.3Very low33.3Very low158 Ų158156 Ų15685%0.84579%0.789SS**  trans-85.4122.1171-70.1-52.7000110.1
239K37.2Very low32.8Very low210 Ų210160.9 Ų160.991%0.91380%0.8SS**  trans-144.9154.3157.3-76.4-153.9176.4-177.40114.1
240I28.9Very low32.6Very low175 Ų175161.6 Ų161.690%0.89780%0.804SS**  trans-108.4128.1-159-65155.9000111.3
241S31.9Very low32.6Very low111 Ų111159.9 Ų159.978%0.77680%0.797SS**  trans-174.9154.2165.753.30000111.1
242E32.9Very low32.6Very low149 Ų149162.4 Ų162.470%0.69680%0.8SS**  cis-153.6139.2-31.4-126.3-139.7140.700112.1
243R31.5Very low32.8Very low218 Ų218157.9 Ų157.982%0.82380%0.797SS**  trans65.4163.7143.8-82.3-165.6174.8171.90.5122.6
244P43Very low32.7Very low98 Ų98154.8 Ų154.864%0.63680%0.795SS**  trans-131.9170.8-143.844.8-30.1000117
245N36.2Very low32.7Very low162 Ų162155.3 Ų155.387%0.86680%0.797SS**  trans-153.7127.2147.1-81.6-42.1000105.8
246K31.8Very low32.8Very low165 Ų165157.4 Ų157.472%0.71780%0.798SS**  cis87.352.723.3-149.7-179.7-174.7179.80115.9
247D37Very low32.7Very low163 Ų163158.6 Ų158.687%0.87280%0.795SS**  trans-96.1130.8153-71.5-45.6000110.5
248H31.2Very low32.8Very low152 Ų152159.8 Ų159.870%0.70480%0.795SS**  trans-99.6140.6162.7-70.513000107.5
249F31.9Very low33.3Very low201 Ų201159.6 Ų159.688%0.88279%0.794SS**  -166.3145125.4-122-90.1000111.6
250N27.2Very low33.3Very low146 Ų146158.4 Ų158.478%0.78179%0.789SS**  trans-85.4141.5168-89.5-39.2000109.5
251D35.5Very low33.9Very low128 Ų128161 Ų16168%0.68479%0.787SS**  trans-164.2112.2137.6-98.6-34.1000108.2
252Q30Very low34.1Very low164 Ų164164.2 Ų164.277%0.76679%0.789SS**  76.7109.294.1-81.7-164.280.700116.1
253V29.9Very low34.3Very low122 Ų122168.8 Ų168.874%0.73980%0.8SS**  trans56.5103.3137.1-167.40000118
254S33.8Very low34.6Very low120 Ų120166.9 Ų166.984%0.83980%0.8SS**  -165.2151.3111-86.60000113.2
255K27.3Very low34.5Very low205 Ų205167.6 Ų167.689%0.89181%0.805SS**  trans-88.2135.7-176.2-58.7165.2-179171.50109.8
256Q32.3Very low34.7Very low170 Ų170165.5 Ų165.579%0.79480%0.8SS**  trans-148122.7152.6-135.8-180-33.800114.3
257E33Very low35.2Very low155 Ų155163.2 Ų163.272%0.72480%0.802SS**  trans43.591.8150.2-68172.2116.500120L259E257-L259 PolarHBondContact O-N 3.38Å; E257-L259 VanDerWaalsContact O-N 3.08Å
258E35.1Very low35.2Very low183 Ų183161.3 Ų161.386%0.85580%0.799SS**  trans-69.494.7163.7-170.3178.3-150.200111.3K260E258-K260 PolarHBondContact O-N 2.76Å
259L41.3Very low35.4Very low155 Ų155161 Ų16181%0.81280%0.801SS**  trans-61.9101.5172.1-85161.8000111.2E257 R261E257-L259 PolarHBondContact O-N 3.38Å; E257-L259 VanDerWaalsContact O-N 3.08Å; L259-R261 VanDerWaalsContact C-N 3.34Å; L259-R261 PolarHBondContact O-N 2.88Å
260K38Very low35.6Very low185 Ų185159.6 Ų159.680%0.80480%0.797SS**  trans-62.289.6171.8-75.7-177.7177.8175.50111.3E258 H262E258-K260 PolarHBondContact O-N 2.76Å; K260-H262 PolarHBondContact O-N 2.81Å
261R40.4Very low36Very low230 Ų230160.7 Ų160.787%0.86880%0.797SS**  trans-64.9114.3170.7-69.8176.7175.1-103.50.1109.6L259 R263L259-R261 VanDerWaalsContact C-N 3.34Å; L259-R261 PolarHBondContact O-N 2.88Å; R261-R263 PolarHBondContact O-N 2.98Å
262H36.2Very low35.9Very low178 Ų178163.1 Ų163.182%0.82480%0.804SS**PPolyproline II helixtrans-60.1118.1168.9-76.1-88.6000109.6K260 H264K260-H262 PolarHBondContact O-N 2.81Å; H262-H264 PolarHBondContact O-N 3.39Å
263R37.6Very low35.9Very low245 Ų245165.1 Ų165.193%0.92581%0.81SS**PPolyproline II helixtrans-71.6117.5173.3-70.2177.9175163.6-2.1108.6R261R261-R263 PolarHBondContact O-N 2.98Å
264H38.5Very low36Very low178 Ų178164.4 Ų164.482%0.82481%0.811SS**PPolyproline II helixtrans-68.3137.5167.6-72.6-83.3000109.8H262H262-H264 PolarHBondContact O-N 3.39Å
265P41Very low35.8Very low113 Ų113164.7 Ų164.773%0.73481%0.81SS**PPolyproline II helixtrans-65.9147.2171.827.9-33.5000110.7
266P40.3Very low36.1Very low118 Ų118160.5 Ų160.577%0.76680%0.802SS**PPolyproline II helixtrans-69.9151.5-172.527.9-35.1000113.2
267P41.5Very low36Very low116 Ų116160.7 Ų160.775%0.75380%0.8SS**PPolyproline II helixtrans-71.3155.2-177.628.9-35.1000113.3
268P37.8Very low35.9Very low123 Ų123159.2 Ų159.280%0.79980%0.797SS**PPolyproline II helixtrans-67.2142.7-175.5-19.432.8000113.7
269L35.9Very low35.8Very low146 Ų146159.1 Ų159.176%0.76480%0.796SS**PPolyproline II helixtrans-58.1136.3177.9-106.379.1000112.6H271L269-H271 PolarHBondContact O-N 3.41Å
270H34.3Very low35.5Very low172 Ų172159.6 Ų159.680%0.79680%0.798SS**  trans-74.1112.3166-85.70.7000110.7
271H36.3Very low35.1Very low168 Ų168157.9 Ų157.978%0.77880%0.797SS**PPolyproline II helixtrans-85.4121.3164-73-65.6000110.3L269L269-H271 PolarHBondContact O-N 3.41Å
272H34.5Very low34.7Very low179 Ų179156 Ų15683%0.82980%0.798SS**PPolyproline II helixtrans-69.2142.7180-73.6-107.2000111.2
273K29.3Very low34.7Very low207 Ų207156.3 Ų156.390%0.980%0.797SS**PPolyproline II helixtrans-81.4118.8178-63.6174.9179177.90110.2
274S30.8Very low34.5Very low107 Ų107153.8 Ų153.875%0.74879%0.793SS**PPolyproline II helixtrans-103.4119.2166.353.20000110.2
275P30.3Very low34.1Very low125 Ų125152.4 Ų152.481%0.81279%0.79SS**  trans-100.5111.3-179.534.7-27.8000111.9
276T32.8Very low33.7Very low118 Ų118152.8 Ų152.872%0.72480%0.796SS**  trans-150122.8168.5-16.30000110.1
277K30.2Very low33.6Very low174 Ų174152.9 Ų152.976%0.75779%0.794SS**  trans27.7150.4133.5-54.1-172.2178-172.30120.2
278D31.2Very low33.1Very low123 Ų123154.6 Ų154.666%0.65880%0.797SS**  cis-169.4147.1-17-91.4-32.6000103.7
279E33.9Very low32.8Very low182 Ų182154.1 Ų154.185%0.8579%0.788SS**  trans61.5158.3159.5-63.1173.9-174.700119.8
280I35Very low32.8Very low164 Ų164152 Ų15284%0.84178%0.783SS**  trans83.855.3-179.3-40.4161.8000115.9
281L29.9Very low32.9Very low150 Ų150151 Ų15179%0.78578%0.778SS**  trans-153.923.1135.4-142.968.9000115.8K283L281-K283 PolarHBondContact O-N 3.03Å
282E32Very low32.9Very low190 Ų190151.8 Ų151.889%0.88878%0.779SS**THydrogen-bonded Turntrans-72.681.2163.3-79-133.2155.700110.5
283K36.8Very low33.1Very low185 Ų185154.4 Ų154.480%0.80478%0.782SS**THydrogen-bonded Turntrans-151.23.2162.4-127.8172.5-174.5179.30117L281L281-K283 PolarHBondContact O-N 3.03Å
284F32.1Very low33.5Very low192 Ų192149.2 Ų149.284%0.84277%0.772SS**SBendtrans-134.122.6-179.8-74-72.8000115
285I30.6Very low34Very low148 Ų148155.2 Ų155.276%0.75978%0.779SS**  trans-103.166.5164.4-48.2-178.8000108.4T287I285-T287 PolarHBondContact O-N 2.96Å
286S32.9Very low34.7Very low122 Ų122155.6 Ų155.685%0.85377%0.774SS**  trans-77.9103.4160.6177.60000107.3
287T37.1Very low35.5Very low119 Ų119152 Ų15273%0.7376%0.761SS**  trans-15.5128.2174.7-47.50000116.4I285 D289I285-T287 PolarHBondContact O-N 2.96Å; T287-D289 PolarHBondContact O-N 3.31Å
288D30.9Very low37.1Very low152 Ų152150 Ų15081%0.81377%0.766SS**  trans-53.9105.4164.7-64-74.3000111.7P290D288-P290 VanDerWaalsContact C-CD 3.48Å; D288-P290 VanDerWaalsContact O-CD 3.29Å; D288-P290 WeakPolarHBondContact O-CD 3.35Å
289D32.7Very low38.9Very low114 Ų114149 Ų14961%0.6176%0.758SS**  trans-104.789.9153.6-172.6-5.9000109.2T287 H291T287-D289 PolarHBondContact O-N 3.31Å; D289-H291 PolarHBondContact O-N 2.94Å; D289-H291 VanDerWaalsContact O-N 3.11Å; D289-H291 WeakPolarHBondContact OD1-CA 3.17Å; D289-H291 WeakPolarHBondContact OD1-CB 3.25Å; D289-H291 PolarHBondContact OD1-N 3.12Å
290P35.2Very low40.8Very low102 Ų102143.6 Ų143.666%0.66274%0.741SS**  trans-72.65.7177.231.2-35.1000113.2D288D288-P290 VanDerWaalsContact C-CD 3.48Å; D288-P290 VanDerWaalsContact O-CD 3.29Å; D288-P290 WeakPolarHBondContact O-CD 3.35Å
291H35.9Very low42.1Very low150 Ų150142.9 Ų142.969%0.69473%0.732SS**SBendtrans-112.241.9-171.4-67.3-59.9000115.4D289D289-H291 PolarHBondContact O-N 2.94Å; D289-H291 VanDerWaalsContact O-N 3.11Å; D289-H291 WeakPolarHBondContact OD1-CA 3.17Å; D289-H291 WeakPolarHBondContact OD1-CB 3.25Å; D289-H291 PolarHBondContact OD1-N 3.12Å
292K37.6Very low44.3Very low185 Ų185139.1 Ų139.180%0.80472%0.722SS**  trans-163.862149.4-96.6135.3-161.6173.50113.2S294K292-S294 PolarHBondContact O-N 2.95Å
293R37.1Very low46.4Very low234 Ų234135.6 Ų135.688%0.88370%0.704SS**  trans-69.594.1148.3-159.2171.9-163.6164.56106.5Y295R293-Y295 PolarHBondContact O-N 2.97Å
294S38.2Very low48.3Very low98 Ų98130.6 Ų130.669%0.68568%0.682SS**  trans-52.5114.3174.738.70000108K292 D296K292-S294 PolarHBondContact O-N 2.95Å; S294-D296 PolarHBondContact O-N 3.2Å
295Y42.1Very low50.1Low233 Ų233127.8 Ų127.891%0.91467%0.666SS**  trans-69.280.9165.2-77.3-92.4000106.8R293 G297R293-Y295 PolarHBondContact O-N 2.97Å; Y295-G297 PolarHBondContact O-N 2.93Å
296D45.3Very low52.1Low132 Ų132130.2 Ų130.271%0.70667%0.666SS**  trans-63.987.8157.1-127.5-9.2000105S294S294-D296 PolarHBondContact O-N 3.2Å
297G48.6Very low53.9Low42 Ų42125.8 Ų125.843%0.43364%0.635SS.*  trans-56.7166.6172.200000110.1Y295 M299Y295-G297 PolarHBondContact O-N 2.93Å; G297-M299 PolarHBondContact O-N 2.92Å; G297-M299 VanDerWaalsContact O-N 3.08Å
298P63.6Low55.2Low134 Ų134124.1 Ų124.187%0.8762%0.62SS**SBendtrans-47.7123.1-172.920.4-33.6000110.9S300P298-S300 PolarHBondContact O-N 3.08Å; P298-S300 VanDerWaalsContact O-N 3.1Å
299M69.9Low56.6Low100 Ų100121.9 Ų121.949%0.49361%0.607SS.*  trans-44119-172.9174.5169.750.500110.1G297 F301 K303 F304G297-M299 PolarHBondContact O-N 2.92Å; G297-M299 VanDerWaalsContact O-N 3.08Å; M299-F301 PolarHBondContact O-N 2.94Å; M299-K303 HydrophobicContact CG-CB 3.82Å; M299-K303 HydrophobicContact CG-CD 4.29Å; M299-K303 HydrophobicContact CG-CG 4.17Å; M299-K303 HydrophobicContact SD-CB 4.42Å; M299-K303 HydrophobicContact SD-CG 4.37Å; M299-F304 HydrophobicContact CE-CB 3.93Å; M299-F304 HydrophobicContact CE-CD2 3.78Å; M299-F304 HydrophobicContact CE-CG 4.34Å; M299-F304 HydrophobicContact CG-CB 4.29Å; M299-F304 HydrophobicContact SD-CB 4.35Å
300S72.5Confident57.8Low69 Ų69119.4 Ų119.448%0.48360%0.599SS.*  trans-57.4143.6-17476.30000110.3P298 A302 K303 F304P298-S300 PolarHBondContact O-N 3.08Å; P298-S300 VanDerWaalsContact O-N 3.1Å; S300-A302 PolarHBondContact O-N 3.17Å; S300-K303 CarbonylContact O-C 3.57Å; S300-K303 WeakPolarHBondContact O-CA 3.26Å; S300-K303 WeakPolarHBondContact O-CB 3.36Å; S300-K303 PolarHBondContact O-N 3.08Å; S300-K303 PolarHBondContact OG-N 3.09Å; S300-F304 PolarHBondContact O-N 3.33Å
301F63.7Low58.5Low150 Ų150120.2 Ų120.266%0.65860%0.597SS**Hα-helixtrans-56.5-27.7-175.6-173.7-104.6000112.9M299 F304 R305M299-F301 PolarHBondContact O-N 2.94Å; F301-F304 HydrophobicContact CD2-CD1 4.05Å; F301-F304 HydrophobicContact CE2-CD1 4.11Å; F301-F304 HydrophobicContact CE2-CE1 4.42Å; F301-R305 HydrophobicContact CD1-CG 4.02Å; F301-R305 HydrophobicContact CE1-CG 3.69Å; F301-R305 HydrophobicContact CE2-CG 4.35Å; F301-R305 HydrophobicContact CG-CG 4.5Å; F301-R305 HydrophobicContact CZ-CG 3.87Å; F301-R305 VanDerWaalsContact O-CB 3.27Å; F301-R305 WeakPolarHBondContact O-CB 3.36Å; F301-R305 WeakPolarHBondContact O-CG 3.5Å; F301-R305 PolarHBondContact O-N 3.26Å
302A75.2Confident58.7Low71 Ų71119.3 Ų119.359%0.58760%0.598SS**Hα-helixtrans-69.3-38.5171.700000113.3S300 R306S300-A302 PolarHBondContact O-N 3.17Å; A302-R306 PolarHBondContact O-N 2.92Å
303K77Confident58.7Low116 Ų116116.3 Ų116.350%0.50459%0.59SS.*Hα-helixtrans-72.5-38.3176.1-158.4178.3-174.7-170.40110.7M299 S300 R306 S307M299-K303 HydrophobicContact CG-CB 3.82Å; M299-K303 HydrophobicContact CG-CD 4.29Å; M299-K303 HydrophobicContact CG-CG 4.17Å; M299-K303 HydrophobicContact SD-CB 4.42Å; M299-K303 HydrophobicContact SD-CG 4.37Å; S300-K303 CarbonylContact O-C 3.57Å; S300-K303 WeakPolarHBondContact O-CA 3.26Å; S300-K303 WeakPolarHBondContact O-CB 3.36Å; S300-K303 PolarHBondContact O-N 3.08Å; S300-K303 PolarHBondContact OG-N 3.09Å; K303-R306 WeakPolarHBondContact O-CB 3.38Å; K303-R306 PolarHBondContact O-N 3.43Å; K303-S307 PolarHBondContact O-N 2.73Å
304F75.4Confident58.7Low79 Ų79110.3 Ų110.335%0.34658%0.581SS.*Hα-helixtrans-63.5-43.6169.8174.3-114.3000113M299 S300 F301 R306 S307 M308M299-F304 HydrophobicContact CE-CB 3.93Å; M299-F304 HydrophobicContact CE-CD2 3.78Å; M299-F304 HydrophobicContact CE-CG 4.34Å; M299-F304 HydrophobicContact CG-CB 4.29Å; M299-F304 HydrophobicContact SD-CB 4.35Å; S300-F304 PolarHBondContact O-N 3.33Å; F301-F304 HydrophobicContact CD2-CD1 4.05Å; F301-F304 HydrophobicContact CE2-CD1 4.11Å; F301-F304 HydrophobicContact CE2-CE1 4.42Å; F304-R306 VanDerWaalsContact C-N 3.28Å; F304-R306 PolarHBondContact O-N 3.32Å; F304-S307 PolarHBondContact O-N 3.31Å; F304-S307 PolarHBondContact O-OG 3.25Å; F304-M308 HydrophobicContact CD1-CE 4.48Å; F304-M308 HydrophobicContact CD2-CG 4.31Å; F304-M308 HydrophobicContact CE1-CE 3.73Å; F304-M308 HydrophobicContact CE1-CG 4.45Å; F304-M308 HydrophobicContact CE1-SD 4.03Å; F304-M308 HydrophobicContact CE2-CG 3.87Å; F304-M308 HydrophobicContact CE2-SD 3.98Å; F304-M308 HydrophobicContact CZ-CE 3.86Å; F304-M308 HydrophobicContact CZ-CG 3.96Å; F304-M308 HydrophobicContact CZ-SD 3.5Å; F304-M308 WeakPolarHBondContact CZ-SD 3.23Å; F304-M308 WeakPolarHBondContact O-CG 3.27Å; F304-M308 PolarHBondContact O-N 3.02Å
305R71.1Confident58.6Low133 Ų133113.1 Ų113.150%0.50259%0.585SS.*Hα-helixtrans-65.6-32.7173.9-75.3-78.6-80.9179.7-5.2111.8F301 I309F301-R305 HydrophobicContact CD1-CG 4.02Å; F301-R305 HydrophobicContact CE1-CG 3.69Å; F301-R305 HydrophobicContact CE2-CG 4.35Å; F301-R305 HydrophobicContact CG-CG 4.5Å; F301-R305 HydrophobicContact CZ-CG 3.87Å; F301-R305 VanDerWaalsContact O-CB 3.27Å; F301-R305 WeakPolarHBondContact O-CB 3.36Å; F301-R305 WeakPolarHBondContact O-CG 3.5Å; F301-R305 PolarHBondContact O-N 3.26Å; R305-I309 VanDerWaalsContact O-CD1 3.25Å; R305-I309 WeakPolarHBondContact O-CD1 3.17Å; R305-I309 WeakPolarHBondContact O-CG1 3.4Å; R305-I309 PolarHBondContact O-N 3.24Å
306R72.2Confident58.3Low200 Ų200109.5 Ų109.576%0.75558%0.582SS**Hα-helixtrans-66.7-49.4170.1-84.3-174.1178.9165.90.1111.7A302 K303 F304 M308 I309 S310A302-R306 PolarHBondContact O-N 2.92Å; K303-R306 WeakPolarHBondContact O-CB 3.38Å; K303-R306 PolarHBondContact O-N 3.43Å; F304-R306 VanDerWaalsContact C-N 3.28Å; F304-R306 PolarHBondContact O-N 3.32Å; R306-M308 PolarHBondContact O-N 3.48Å; R306-I309 CarbonylContact O-C 3.59Å; R306-I309 WeakPolarHBondContact O-CA 3.46Å; R306-I309 PolarHBondContact O-N 2.95Å; R306-S310 PolarHBondContact O-N 2.84Å; R306-S310 PolarHBondContact O-OG 3.11Å; R306-S310 VanDerWaalsContact O-OG 3.1Å
307S70.2Confident58Low29 Ų29110.7 Ų110.720%0.20358%0.583CS.*Hα-helixtrans-58.1-48.5179.272.70000111.4K303 F304 I309 S310 D311K303-S307 PolarHBondContact O-N 2.73Å; F304-S307 PolarHBondContact O-N 3.31Å; F304-S307 PolarHBondContact O-OG 3.25Å; S307-I309 PolarHBondContact O-N 3.48Å; S307-S310 WeakPolarHBondContact CA-OG 3.18Å; S307-S310 PolarHBondContact O-N 2.86Å; S307-S310 PolarHBondContact O-OG 3.42Å; S307-D311 VanDerWaalsContact O-CB 3.25Å; S307-D311 WeakPolarHBondContact O-CB 3.34Å; S307-D311 PolarHBondContact O-N 3.07Å; S307-D311 VanDerWaalsContact O-OD1 3.08Å
308M65Low57.4Low84 Ų84117.1 Ų117.141%0.41460%0.602SS.*Hα-helixtrans-59.8-19.2175.5-68.8-147.9-56.100115.1F304 R306 N312F304-M308 HydrophobicContact CD1-CE 4.48Å; F304-M308 HydrophobicContact CD2-CG 4.31Å; F304-M308 HydrophobicContact CE1-CE 3.73Å; F304-M308 HydrophobicContact CE1-CG 4.45Å; F304-M308 HydrophobicContact CE1-SD 4.03Å; F304-M308 HydrophobicContact CE2-CG 3.87Å; F304-M308 HydrophobicContact CE2-SD 3.98Å; F304-M308 HydrophobicContact CZ-CE 3.86Å; F304-M308 HydrophobicContact CZ-CG 3.96Å; F304-M308 HydrophobicContact CZ-SD 3.5Å; F304-M308 WeakPolarHBondContact CZ-SD 3.23Å; F304-M308 WeakPolarHBondContact O-CG 3.27Å; F304-M308 PolarHBondContact O-N 3.02Å; R306-M308 PolarHBondContact O-N 3.48Å; M308-N312 PolarHBondContact O-ND2 2.92Å
309I60.6Low55.9Low104 Ų104118.7 Ų118.753%0.53360%0.597SS.*Hα-helixtrans-96.5-37.1176.6-65168.5000111.3R305 R306 S307R305-I309 VanDerWaalsContact O-CD1 3.25Å; R305-I309 WeakPolarHBondContact O-CD1 3.17Å; R305-I309 WeakPolarHBondContact O-CG1 3.4Å; R305-I309 PolarHBondContact O-N 3.24Å; R306-I309 CarbonylContact O-C 3.59Å; R306-I309 WeakPolarHBondContact O-CA 3.46Å; R306-I309 PolarHBondContact O-N 2.95Å; S307-I309 PolarHBondContact O-N 3.48Å
310S56.9Low54.1Low63 Ų63123.1 Ų123.144%0.44161%0.613SS.*Hα-helixtrans-72.4-38.3177.354.20000112.3R306 S307 N312 L313R306-S310 PolarHBondContact O-N 2.84Å; R306-S310 PolarHBondContact O-OG 3.11Å; R306-S310 VanDerWaalsContact O-OG 3.1Å; S307-S310 WeakPolarHBondContact CA-OG 3.18Å; S307-S310 PolarHBondContact O-N 2.86Å; S307-S310 PolarHBondContact O-OG 3.42Å; S310-N312 PolarHBondContact O-N 2.73Å; S310-N312 VanDerWaalsContact O-N 3.08Å; S310-L313 PolarHBondContact O-N 3.48Å; S310-L313 VanDerWaalsContact O-N 3.08Å
311D50.6Low52.1Low119 Ų119129.7 Ų129.764%0.63663%0.629SS**THydrogen-bonded Turntrans-74-2.3-176.1-51-7.4000111.7S307S307-D311 VanDerWaalsContact O-CB 3.25Å; S307-D311 WeakPolarHBondContact O-CB 3.34Å; S307-D311 PolarHBondContact O-N 3.07Å; S307-D311 VanDerWaalsContact O-OD1 3.08Å
312N40.7Very low50.7Low131 Ų131131 Ų13170%0.70164%0.638SS**THydrogen-bonded Turntrans-116.75.7174.7-72.8-71.1000113.4M308 S310M308-N312 PolarHBondContact O-ND2 2.92Å; S310-N312 PolarHBondContact O-N 2.73Å; S310-N312 VanDerWaalsContact O-N 3.08Å
313L36.3Very low48.4Very low122 Ų122131.3 Ų131.364%0.63965%0.647SS**SBendtrans-96.1119.9164.8-75.2170000107.6S310 M315S310-L313 PolarHBondContact O-N 3.48Å; S310-L313 VanDerWaalsContact O-N 3.08Å; L313-M315 PolarHBondContact O-N 3.09Å; L313-M315 VanDerWaalsContact O-N 3.17Å
314P37.7Very low46.1Very low107 Ų107136.4 Ų136.470%0.69566%0.664SS**PPolyproline II helixtrans-60.8123.6173.726.2-32.2000108.2D316P314-D316 PolarHBondContact O-N 2.98Å
315M36.8Very low43.9Very low157 Ų157141 Ų14177%0.77369%0.691SS**PPolyproline II helixtrans-67.1123.1164.2-72.9-70-65.700107.1L313 E317L313-M315 PolarHBondContact O-N 3.09Å; L313-M315 VanDerWaalsContact O-N 3.17Å; M315-E317 HydrophobicContact CB-CG 4.29Å; M315-E317 PolarHBondContact O-N 2.84Å
316D34.8Very low42.1Very low158 Ų158141.7 Ų141.785%0.84570%0.704SS**  trans-71.465.3172.4-67-46.7000109.9P314 E318P314-D316 PolarHBondContact O-N 2.98Å; D316-E318 PolarHBondContact O-N 3.39Å
317E39.6Very low40.1Very low157 Ų157137 Ų13773%0.73470%0.702SS**  trans-80.1101.4169.8-78.6-92.2145.800108.4M315 H319M315-E317 HydrophobicContact CB-CG 4.29Å; M315-E317 PolarHBondContact O-N 2.84Å; E317-H319 PolarHBondContact O-N 2.95Å
318E35Very low38.2Very low177 Ų177144.4 Ų144.483%0.82773%0.734SS**  trans-57.9124.5-176.1-64.5-174.9145.900112.5D316 K320D316-E318 PolarHBondContact O-N 3.39Å; E318-K320 PolarHBondContact O-N 3.01Å
319H32.6Very low36.8Very low166 Ų166147.3 Ų147.377%0.76975%0.75SS**  trans-63.893.1178.9-65.2-62.7000113.1E317 Y321E317-H319 PolarHBondContact O-N 2.95Å; H319-Y321 HydrophobicContact CB-CD2 4.11Å; H319-Y321 HydrophobicContact CB-CE2 4.02Å; H319-Y321 PolarHBondContact O-N 2.96Å
320K33.3Very low35.5Very low193 Ų193149.9 Ų149.984%0.83977%0.766SS**  trans-8489.7159-80.2-173.5177175.90110.8E318 Q322E318-K320 PolarHBondContact O-N 3.01Å; K320-Q322 PolarHBondContact O-N 3.4Å; K320-Q322 VanDerWaalsContact O-N 3.13Å
321Y29.9Very low34.5Very low207 Ų207152.2 Ų152.281%0.81278%0.782SS**  trans-61.4108.8163-78.8-94000109.9H319H319-Y321 HydrophobicContact CB-CD2 4.11Å; H319-Y321 HydrophobicContact CB-CE2 4.02Å; H319-Y321 PolarHBondContact O-N 2.96Å
322Q34.5Very low33.7Very low179 Ų179152.8 Ų152.884%0.83679%0.79SS**  trans-123.6105.9163.7-87.8-80.1-31.100106.8K320 R324K320-Q322 PolarHBondContact O-N 3.4Å; K320-Q322 VanDerWaalsContact O-N 3.13Å; Q322-R324 PolarHBondContact O-N 3.49Å
323G25.6Very low33.3Very low77 Ų77150.8 Ų150.879%0.79479%0.792SS**  trans-66.5124.6-173.500000111.9
324R29Very low32.9Very low223 Ų223153.8 Ų153.884%0.84280%0.8SS**  trans-125.9106.7154.9-73.8-169.8-178.6-178.41.7108.4Q322 L326Q322-R324 PolarHBondContact O-N 3.49Å; R324-L326 PolarHBondContact O-N 2.89Å
325N29.3Very low32.9Very low174 Ų174153.4 Ų153.493%0.9381%0.806SS**  trans-64.8103.5163.9-62.2-36.5000107
326L33.3Very low32.8Very low148 Ų148155.9 Ų155.978%0.77581%0.806SS**  trans-106.5113.9166.5-77.2165.4000106.4R324 H328R324-L326 PolarHBondContact O-N 2.89Å; L326-H328 PolarHBondContact O-N 3.33Å
327S30.9Very low32.7Very low102 Ų102155.2 Ų155.271%0.71380%0.803SS**  trans-56.6127.2174.544.10000109.7
328H31Very low32.7Very low185 Ų185152.4 Ų152.486%0.85680%0.801SS**  trans-87.5106.4162.2-89-18.7000108L326L326-H328 PolarHBondContact O-N 3.33Å
329D33.7Very low33Very low144 Ų144152.8 Ų152.877%0.7780%0.8SS**  trans-61.1140.2165.6-67.6-50.3000110S331D329-S331 PolarHBondContact O-N 3.29Å
330D34.9Very low33.4Very low159 Ų159154.7 Ų154.785%0.8581%0.806SS**  trans-65.8100.8-172.5-71.9-58.8000112.3T332D330-T332 PolarHBondContact O-N 3.37Å
331S35.1Very low33.4Very low112 Ų112156.1 Ų156.178%0.78381%0.806SS**  trans-73107.2166.453.80000109.9D329 A333D329-S331 PolarHBondContact O-N 3.29Å; S331-A333 VanDerWaalsContact C-N 3.34Å; S331-A333 PolarHBondContact O-N 2.92Å
332T33Very low33.7Very low130 Ų130155.7 Ų155.780%0.79881%0.809SS**  trans-61.781.9-176.751.20000113.2D330D330-T332 PolarHBondContact O-N 3.37Å
333A32.9Very low34Very low90 Ų90151.8 Ų151.874%0.74480%0.799SS**  trans-83117.1169.100000110.1S331 A335S331-A333 VanDerWaalsContact C-N 3.34Å; S331-A333 PolarHBondContact O-N 2.92Å; A333-A335 PolarHBondContact O-N 2.86Å
334F29Very low34.4Very low184 Ų184156.3 Ų156.381%0.80780%0.803SS**  trans-58.793.3178.9-89.5-103.5000112.5R336F334-R336 VanDerWaalsContact C-N 3.32Å; F334-R336 PolarHBondContact O-N 3.17Å
335A38Very low34.7Very low100 Ų100153 Ų15383%0.82680%0.797SS**  trans-74.880.9171.800000111A333A333-A335 PolarHBondContact O-N 2.86Å
336R33.1Very low34.9Very low208 Ų208149.6 Ų149.679%0.78579%0.787SS**  trans-71.3135.7164.3-78.4-177151.6100.7-1.1109.8F334F334-R336 VanDerWaalsContact C-N 3.32Å; F334-R336 PolarHBondContact O-N 3.17Å
337D33.2Very low35.1Very low145 Ų145151 Ų15178%0.77579%0.793SS**  trans64.577.9172.8-62-30.3000118.8
338S40.6Very low35.1Very low98 Ų98154.8 Ų154.869%0.68580%0.799SS**  trans-13453.2153.7-1660000112.1F340S338-F340 PolarHBondContact O-N 3.47Å
339K40.9Very low35.2Very low185 Ų185149.2 Ų149.280%0.80479%0.792SS**THydrogen-bonded Turntrans-78.710.8-178.9-65.2-168.2177.5-171.20115.2
340F39.7Very low35.1Very low205 Ų205152 Ų15290%0.89980%0.8SS**THydrogen-bonded Turntrans-127.928.8-172.1-75.8-70.9000115.2S338S338-F340 PolarHBondContact O-N 3.47Å
341R34.6Very low34.8Very low223 Ų223152.6 Ų152.684%0.84280%0.802SS**  trans-121.7101.5161.8-73.7-170.9174.7-132-1.2109.9
342K34.8Very low34.5Very low199 Ų199150.4 Ų150.487%0.86580%0.797SS**  trans-63.6139.3167.9-68.9-171.1174.2-170.40109I344K342-I344 PolarHBondContact O-N 2.95Å
343P40.8Very low34.5Very low97 Ų97150.5 Ų150.563%0.6380%0.797SS**  trans-60.2134.2175.2-22.333.5000111.2H345P343-H345 PolarHBondContact O-N 3.45Å
344I35.1Very low34.3Very low171 Ų171152 Ų15288%0.87780%0.8SS**  trans-83102.8163.1-61.1174.9000105.3K342 S346K342-I344 PolarHBondContact O-N 2.95Å; I344-S346 PolarHBondContact O-N 3.45Å
345H35.7Very low34.4Very low154 Ų154151.4 Ų151.471%0.71380%0.804SS**  trans-68.4117.8176.3-70.9-85.7000109.8P343 I347P343-H345 PolarHBondContact O-N 3.45Å; H345-I347 PolarHBondContact O-N 2.94Å
346S33Very low34.2Very low103 Ų103152.8 Ų152.872%0.7280%0.802SS**  trans-71104.3168.347.10000109.3I344 E348I344-S346 PolarHBondContact O-N 3.45Å; S346-E348 VanDerWaalsContact C-N 3.29Å; S346-E348 PolarHBondContact O-N 3.26Å
347I37.2Very low34Very low177 Ų177148.7 Ų148.791%0.90880%0.802SS**  trans-75.484.6166.635.3171.2000109.1H345H345-I347 PolarHBondContact O-N 2.94Å
348E31Very low33.9Very low181 Ų181153.2 Ų153.285%0.84681%0.808SS**  trans-109.4122.2172-173.4164.5-150.100108.5S346S346-E348 VanDerWaalsContact C-N 3.29Å; S346-E348 PolarHBondContact O-N 3.26Å
349G32.9Very low33.4Very low68 Ų68156.6 Ų156.670%0.70181%0.813SS**  trans114.773.2177.300000115.9
350Q32.2Very low32.8Very low202 Ų202153 Ų15394%0.94481%0.811SS**  trans-141.4112.6143.3-111.8169.934.100109.1
351I28.2Very low32.5Very low172 Ų172152.1 Ų152.188%0.88281%0.807SS**  trans-113.3136-176.6-65.9171.3000107.6
352G28.9Very low32.2Very low66 Ų66150.2 Ų150.268%0.6881%0.808SS**  trans98.2136.2-178.800000112.5
353T32.6Very low32.1Very low132 Ų132147.5 Ų147.581%0.8180%0.803SS**  cis-153.2150.61.210.20000109
354P29.5Very low31.5Very low122 Ų122151 Ų15179%0.79281%0.808SS**  trans-77.7126.6-176.831-33.1000111.7
355L31.1Very low31.5Very low172 Ų172150.7 Ų150.790%0.90180%0.802SS**  trans-107.5135.3168.9-74.3172.9000110.7
356V33.6Very low31.4Very low128 Ų128149.3 Ų149.378%0.77681%0.805SS**  trans-78139-167.51760000111.5
357P29.2Very low31Very low122 Ų122152.2 Ų152.279%0.79281%0.813SS**  trans-62.8135.3174.3-20.732.7000112.3
358R30.4Very low30.9Very low241 Ų241153 Ų15391%0.90981%0.809SS**  trans-124.5157.2167.2-93.6-164.4172.2-168-0.5112.4
359H30.2Very low30.9Very low168 Ų168149.5 Ų149.578%0.77881%0.805SS**  trans-67.2158.3-161.7-75.4-101.5000115.6
360S28Very low31Very low109 Ų109155 Ų15576%0.76281%0.81SS**  trans-42.7132157.449.90000113.3
361F33.3Very low31.1Very low188 Ų188151.7 Ų151.783%0.82580%0.803SS**  trans-104.4121157.8-88.7-95000109
362E27.7Very low31.3Very low183 Ų183151.2 Ų151.286%0.85580%0.802SS**  trans-74.3136.3153.6-64.8-179.6128.100107.5
363D34.3Very low31.4Very low141 Ų141152.7 Ų152.775%0.75480%0.8SS**  trans-138.8153.5163.7-113.4-39000112
364K28Very low31.5Very low171 Ų171156.2 Ų156.274%0.74381%0.807SS**  trans-99.8-160.9-150.7-61.9-172.8176.1-179.50113.6
365H34.2Very low31.4Very low164 Ų164157.4 Ų157.476%0.75981%0.805SS**  trans86.3132.3169-44.9-71.9000114.4
366T33Very low31.6Very low126 Ų126158.2 Ų158.277%0.77380%0.801SS**  cis-157.9140.32.40.30000111.3
367N26.4Very low31.4Very low164 Ų164157.5 Ų157.588%0.87780%0.798SS**  trans-78.5136.4171.3-78-41.2000112.2
368K35Very low31.5Very low192 Ų192158.4 Ų158.484%0.83579%0.791SS**  trans-151107159.4-74.9-162.7178.2-178.20114.1
369S29.6Very low31.5Very low108 Ų108155.2 Ų155.276%0.75578%0.784SS**  trans63.5149.8147.181.70000118.6
370K35.9Very low31.3Very low185 Ų185153.5 Ų153.580%0.80479%0.788SS**  cis-137.9126.5-0.1-59.3171.1-178.7176.90106.3
371V33.1Very low31.4Very low132 Ų132157.7 Ų157.780%0.879%0.792SS**  31.2105.6100.1-168.70000115.1
372D33.1Very low31.3Very low162 Ų162154.8 Ų154.887%0.86679%0.79SS**  trans-156.9127130.7-121.7-22.9000110.3
373P32.2Very low31.3Very low96 Ų96154.5 Ų154.562%0.62379%0.789SS**  trans-104.2138.5-176.136.3-30.4000113.6
374Q33.1Very low31.5Very low206 Ų206152.6 Ų152.696%0.96378%0.784SS**  trans-115.1127.9158.7-84.3-165.9-4.200111.5
375I29.1Very low31.7Very low147 Ų147151.5 Ų151.575%0.75479%0.785SS**  trans-107.9132.7-178.9-62.2167000108.8
376K33.5Very low31.6Very low189 Ų189149.9 Ų149.982%0.82278%0.783SS**  trans-171.1112.1154.1-98.9150.7-174.8-176.10107
377T30.6Very low31.3Very low114 Ų114150.3 Ų150.370%0.69978%0.778SS**  48.4133.39451.60000114
378E30.3Very low31.6Very low140 Ų140152 Ų15265%0.65478%0.778SS**  cis-161.9151.813.4-132.7-178.5132.800113.4
379K30.1Very low31.3Very low175 Ų175147.3 Ų147.376%0.76178%0.775SS**  trans50.4120.2150.6-76.4165.4-175.1157.60123.2
380P27.4Very low31.5Very low132 Ų132154 Ų15486%0.85778%0.784SS**  trans-96.6148156.536.6-31.2000114.1
381K29.5Very low31Very low197 Ų197152.5 Ų152.586%0.85779%0.785SS**  trans-168.8142.5169.3-114.4-178.9178.7-178.30106
382T30.9Very low31.1Very low127 Ų127153.6 Ų153.678%0.77979%0.785SS**  cis-155.5155.110.3-32.40000108.7
383Q28.4Very low31Very low176 Ų176153.2 Ų153.282%0.82278%0.778SS**  trans-92.8-171.7162-67.2-1474.600110.2
384P38.4Very low30.9Very low101 Ų101156.3 Ų156.366%0.65678%0.784SS**  cis-131.6-144.4-6.339.6-18000113.1
385L32.6Very low30.9Very low148 Ų148151.8 Ų151.878%0.77577%0.766SS**  trans91.5138.9174-53168000115.5
386D31.7Very low31Very low131 Ų131153.3 Ų153.370%0.70177%0.77SS**  cis-157.3164.5-13.5-131.4-12.4000114.8
387I25.9Very low30.8Very low134 Ų134147.8 Ų147.869%0.68777%0.767SS**  trans-45.7142.6-177.9-58.6149.5000118.5
388K33.1Very low30.8Very low200 Ų200152.1 Ų152.187%0.8778%0.776SS**  trans169.2104.6134-90.3150.7-166.6173.70111.2
389A29.4Very low30.7Very low93 Ų93150.7 Ų150.777%0.76978%0.781SS**  78.195.169.600000116.3
390R32.7Very low30.8Very low249 Ų249152.7 Ų152.794%0.9479%0.79SS**  trans-164.8134.2138.4-128.2174.7-177.2152.71.7112.8
391N27.2Very low30.9Very low154 Ų154154.8 Ų154.882%0.82479%0.786SS**  trans-94.3153.6174.9-64.5-38.2000111.4
392L34.8Very low31Very low154 Ų154151 Ų15181%0.80678%0.775SS**  trans-162.9108.8139.4-122.2108.2000106.3
393E30.8Very low30.9Very low154 Ų154153.5 Ų153.572%0.7278%0.778SS**  84.199.988-150.8162-119.700110.3
394E29.4Very low31.1Very low162 Ų162153.2 Ų153.276%0.75778%0.777SS**  68.9138.7101-91.9-170.9-164.100113.6
395N32.5Very low30.5Very low110 Ų110158.9 Ų158.959%0.58879%0.785SS**  cis-157.9174.330-112.9-41.9000114.1
396H31.3Very low30.6Very low180 Ų180159.4 Ų159.483%0.83379%0.789SS**  trans-33.5165.3172.6-51.2-65000119.4
397G30.8Very low30.7Very low73 Ų73161.3 Ų161.375%0.75379%0.793SS**  cis-176.5178.111.500000113.4
398K29Very low31.2Very low204 Ų204163 Ų16389%0.88780%0.803SS**  trans-100.4150-165.3-61.5175.7178.1174.30114.8
399S29Very low31.2Very low110 Ų110158.5 Ų158.577%0.76979%0.792SS**  trans35.9115.6143.862.90000120.2
400K32.8Very low31.7Very low217 Ų217163.6 Ų163.694%0.94380%0.797SS**  trans-119.2157.5141.9-81-170.3175.2-1760109.9
401K29.2Very low31.6Very low177 Ų177162.3 Ų162.377%0.7779%0.792SS**  trans-132.7162.6-166.5-153.7-166170.4-158.40108.6
402D30.3Very low32Very low118 Ų118162.3 Ų162.363%0.63179%0.792SS**  trans79.7136.5161.6-47.6-45.4000118.9
403Q30.4Very low31.9Very low178 Ų178164.9 Ų164.983%0.83280%0.796SS**  trans62.8149.1165.2-71.2164.8-45.400117.9
404E31.3Very low32.1Very low171 Ų171163.6 Ų163.680%0.79980%0.799SS**  cis-144.1178.82-155.2158.3170.800111.1
405R26.9Very low32.2Very low219 Ų219163.1 Ų163.183%0.82680%0.797SS**  trans-119.781.7-165.8-175-167.7-172.2167.92111.9
406D34.3Very low32.2Very low160 Ų160166 Ų16686%0.85681%0.806SS**  trans-98.2121.6172.6-82.6-34.1000112.9
407E33.2Very low32.5Very low171 Ų171165 Ų16580%0.79980%0.802SS**  trans-83.8109.7172.1-65.5-166.3162.600110.9
408L36Very low32.5Very low169 Ų169166.4 Ų166.489%0.88580%0.8SS**  trans-112.592.8167.1-146.675000112.9K410L408-K410 PolarHBondContact O-N 3.43Å
409V34.8Very low32.8Very low105 Ų105165.4 Ų165.464%0.63680%0.803SS**  trans-8107.4162.4-173.20000116.4R411V409-R411 HydrophobicContact CG1-CG 3.97Å; V409-R411 PolarHBondContact O-N 2.97Å; V409-R411 VanDerWaalsContact O-N 3.09Å
410K38.4Very low32.9Very low201 Ų201170.5 Ų170.587%0.87481%0.806SS**  trans-77.785.1170.9-70.2175.8179.4169.80112.5L408 N412L408-K410 PolarHBondContact O-N 3.43Å; K410-N412 PolarHBondContact O-N 2.92Å
411R32.5Very low33Very low221 Ų221165.2 Ų165.283%0.83480%0.797SS**  trans-89.479.2164.7-70.8-168.3-168.5108.5-1.9111.9V409V409-R411 HydrophobicContact CG1-CG 3.97Å; V409-R411 PolarHBondContact O-N 2.97Å; V409-R411 VanDerWaalsContact O-N 3.09Å
412N33.9Very low33.3Very low154 Ų154166.4 Ų166.482%0.82480%0.802SS**  trans-105.1107.6170.9-79.7-23.1000111.5K410 T414K410-N412 PolarHBondContact O-N 2.92Å; N412-T414 PolarHBondContact O-N 2.94Å
413K33.4Very low33.5Very low208 Ų208169.6 Ų169.690%0.90481%0.813SS**  trans-55.5128.5178.3-89.6168.4169.9166.90111.8H415K413-H415 PolarHBondContact O-N 3.42Å; K413-H415 VanDerWaalsContact O-N 3.1Å
414T34.4Very low33.7Very low127 Ų127169 Ų16978%0.77982%0.816SS**  trans-59.6107.7172.6-50.70000110.9N412N412-T414 PolarHBondContact O-N 2.94Å
415H32.6Very low33.9Very low153 Ų153169.7 Ų169.771%0.70882%0.816SS**  trans-90.6120.4173.3-174.155.6000110.3K413 Q417K413-H415 PolarHBondContact O-N 3.42Å; K413-H415 VanDerWaalsContact O-N 3.1Å; H415-Q417 PolarHBondContact O-N 3.2Å
416H31.8Very low34.4Very low170 Ų170165.1 Ų165.179%0.78781%0.814SS**  trans-67.691.4-180-63.2-83.1000111.7
417Q37.3Very low34.3Very low159 Ų159166.3 Ų166.374%0.74381%0.814SS**  trans-74125.9170.8-80.2-68.4-7.800110.9H415H415-Q417 PolarHBondContact O-N 3.2Å
418S32.1Very low34.4Very low103 Ų103161.2 Ų161.272%0.7281%0.807SS**  trans-61.7144.8-173.8-178.80000113.2R420S418-R420 VanDerWaalsContact C-N 3.31Å; S418-R420 PolarHBondContact O-N 2.67Å
419L33.5Very low34.5Very low182 Ų182159 Ų15995%0.95381%0.806SS**  trans-66.780.8176.8-69.4170.7000111.6
420R32.1Very low34.7Very low217 Ų217161.4 Ų161.482%0.81981%0.814SS**  trans-111.591.8174.4-158.7165.8-174.3167.50.1111.7S418 K422S418-R420 VanDerWaalsContact C-N 3.31Å; S418-R420 PolarHBondContact O-N 2.67Å; R420-K422 PolarHBondContact O-N 3.07Å
421S34.3Very low35Very low107 Ų107156.1 Ų156.175%0.74880%0.802SS**  trans31.870.8153.964.70000116.5Q423S421-Q423 PolarHBondContact O-N 2.91Å
422K35Very low35.9Very low202 Ų202148.5 Ų148.588%0.87878%0.783SS**  trans-74.4117.1160.6-75.8-76.3-179.6174.90107.9R420R420-K422 PolarHBondContact O-N 3.07Å
423Q36.5Very low36.7Very low184 Ų184150.1 Ų150.186%0.8678%0.783SS**  trans-53.4143.4175.2-69.5163.8-5700110.6S421 K425S421-Q423 PolarHBondContact O-N 2.91Å; Q423-K425 PolarHBondContact O-N 2.89Å
424N33.3Very low37.7Very low167 Ų167147.9 Ų147.989%0.89378%0.781SS**  trans-54.7102.1177.7-60.8-32.6000110.6
425K35.3Very low39.4Very low185 Ų185145.6 Ų145.680%0.80476%0.764SS**PPolyproline II helixtrans-77.1130.3156.8-80-169.9172.1-171.70107.1Q423 H427Q423-K425 PolarHBondContact O-N 2.89Å; K425-H427 PolarHBondContact O-N 3.16Å
426P37.2Very low41.1Very low122 Ų122149 Ų14979%0.79277%0.77SS**PPolyproline II helixtrans-60.1131.5177.525.5-33.1000109G428P426-G428 PolarHBondContact O-N 2.76Å
427H33.3Very low43.1Very low186 Ų186146.7 Ų146.786%0.86176%0.762SS**PPolyproline II helixtrans-58.1130.9176.1-83.9-94.2000109.5K425K425-H427 PolarHBondContact O-N 3.16Å
428G34.4Very low45Very low63 Ų63141.4 Ų141.465%0.64974%0.743SS**PPolyproline II helixtrans-55.4144.3173.600000110.7P426 I430P426-G428 PolarHBondContact O-N 2.76Å; G428-I430 PolarHBondContact O-N 3.04Å
429S37.9Very low46.9Very low123 Ų123140.3 Ų140.386%0.8674%0.735SS**  trans-50.2103.8-17738.10000112.6S431S429-S431 PolarHBondContact O-N 2.76Å
430I39.7Very low49Very low156 Ų156140.4 Ų140.480%0.872%0.723SS**  trans-64.1118.8163.8-56173.5000106.2G428 S432G428-I430 PolarHBondContact O-N 3.04Å; I430-S432 PolarHBondContact O-N 3.29Å
431S44.7Very low51.5Low90 Ų90132.7 Ų132.763%0.62970%0.7SS**  trans-61.9103.4-175.5-175.90000110.7S429 K433S429-S431 PolarHBondContact O-N 2.76Å; S431-K433 PolarHBondContact O-N 3.34Å
432S50.8Low53.7Low61 Ų61131.4 Ų131.443%0.42768%0.682SS.*G310 helixtrans-67.47.7-173.5-170.30000114.8I430 N434 D435 S438I430-S432 PolarHBondContact O-N 3.29Å; S432-N434 PolarHBondContact O-N 3.43Å; S432-D435 PolarHBondContact O-N 3.47Å; S432-S438 PolarHBondContact OG-OG 3.18Å
433K50.3Low56.1Low188 Ų188126.1 Ų126.182%0.81766%0.663SS**G310 helixtrans-61.5-21-174-71.5-169.2174.8-174.10114.6S431S431-K433 PolarHBondContact O-N 3.34Å
434N54.9Low58.2Low161 Ų161119 Ų11986%0.86163%0.634SS**G310 helixtrans-114.313.6177.9-66.7-7.5000113.3S432 R436S432-N434 PolarHBondContact O-N 3.43Å; N434-R436 PolarHBondContact O-N 2.85Å
435D70Confident60.7Low79 Ų79117.4 Ų117.442%0.42262%0.616SS.*  trans-75.9121.5-179.7-154.1-21.5000110.4S432 I437 S438 S439S432-D435 PolarHBondContact O-N 3.47Å; D435-I437 PolarHBondContact O-N 2.88Å; D435-I437 VanDerWaalsContact O-N 3.16Å; D435-S438 WeakPolarHBondContact O-CB 3.29Å; D435-S438 PolarHBondContact O-N 2.94Å; D435-S439 PolarHBondContact O-N 2.98Å
436R69.3Low63.1Low223 Ų223115.5 Ų115.584%0.84261%0.605SS**Hα-helixtrans-63.5-27.7-170.8-155.1176.7-169.1175.63.4111.6N434 W440N434-R436 PolarHBondContact O-N 2.85Å; R436-W440 WeakPolarHBondContact O-CB 3.41Å; R436-W440 PolarHBondContact O-N 2.97Å; R436-W440 VanDerWaalsContact O-N 3.08Å
437I74.1Confident65.1Low122 Ų122115.3 Ų115.363%0.62659%0.593SS**Hα-helixtrans-70.4-49.1174.6-61.3166000110.2D435 S439 W440 V441D435-I437 PolarHBondContact O-N 2.88Å; D435-I437 VanDerWaalsContact O-N 3.16Å; I437-S439 VanDerWaalsContact C-N 3.32Å; I437-S439 PolarHBondContact O-N 2.85Å; I437-W440 PolarHBondContact O-N 3.1Å; I437-W440 VanDerWaalsContact O-N 3.15Å; I437-V441 HydrophobicContact CG2-CG2 4.49Å; I437-V441 WeakPolarHBondContact O-CG2 2.97Å; I437-V441 PolarHBondContact O-N 2.91Å
438S75.5Confident67.2Low49 Ų49110 Ų11034%0.34357%0.574SS.*Hα-helixtrans-57.9-44.7176.8-610000111.2S432 D435 W440 V441 E442S432-S438 PolarHBondContact OG-OG 3.18Å; D435-S438 WeakPolarHBondContact O-CB 3.29Å; D435-S438 PolarHBondContact O-N 2.94Å; S438-W440 PolarHBondContact O-N 2.77Å; S438-V441 PolarHBondContact O-N 3.2Å; S438-E442 WeakPolarHBondContact O-CB 3.4Å; S438-E442 PolarHBondContact O-N 2.97Å
439S73.7Confident69.6Low80 Ų80112.2 Ų112.256%0.55956%0.563SS**Hα-helixtrans-61.8-41.7175.2-175.50000112.9D435 I437 E442 N443D435-S439 PolarHBondContact O-N 2.98Å; I437-S439 VanDerWaalsContact C-N 3.32Å; I437-S439 PolarHBondContact O-N 2.85Å; S439-E442 PolarHBondContact O-N 3.36Å; S439-N443 VanDerWaalsContact O-CB 3.26Å; S439-N443 WeakPolarHBondContact O-CB 3.42Å; S439-N443 PolarHBondContact O-N 2.99Å
440W77.7Confident71.6Confident184 Ų184110.6 Ų110.670%0.69754%0.541SS*.Hα-helixtrans-67.6-39.7177.9-17578.9000112.9R436 I437 S438 S444R436-W440 WeakPolarHBondContact O-CB 3.41Å; R436-W440 PolarHBondContact O-N 2.97Å; R436-W440 VanDerWaalsContact O-N 3.08Å; I437-W440 PolarHBondContact O-N 3.1Å; I437-W440 VanDerWaalsContact O-N 3.15Å; S438-W440 PolarHBondContact O-N 2.77Å; W440-S444 WeakPolarHBondContact O-CB 3.4Å; W440-S444 PolarHBondContact O-N 3.31Å; W440-S444 PolarHBondContact O-OG 3.32Å
441V82.9Confident73.5Confident54 Ų54106.7 Ų106.733%0.32752%0.522SS..Hα-helixtrans-64.3-44.2174.7171.10000110.9I437 S438 S444 R445I437-V441 HydrophobicContact CG2-CG2 4.49Å; I437-V441 WeakPolarHBondContact O-CG2 2.97Å; I437-V441 PolarHBondContact O-N 2.91Å; S438-V441 PolarHBondContact O-N 3.2Å; V441-S444 PolarHBondContact O-N 3.49Å; V441-R445 WeakPolarHBondContact O-CG 3.23Å; V441-R445 PolarHBondContact O-N 3.15Å
442E80.6Confident75.2Confident81 Ų81105.9 Ų105.938%0.37951%0.51SS..Hα-helixtrans-68.6-40.4-180-148.257.6-123.700111.9S438 S439 R445 Y446 R449S438-E442 WeakPolarHBondContact O-CB 3.4Å; S438-E442 PolarHBondContact O-N 2.97Å; S439-E442 PolarHBondContact O-N 3.36Å; E442-R445 WeakPolarHBondContact O-CB 3.12Å; E442-R445 PolarHBondContact O-N 3.46Å; E442-R445 IonicContact OE1-NH1 2.69Å; E442-R445 IonicContact OE2-NH1 3.28Å; E442-R445 PolarHBondContact OE2-NH1 3.04Å; E442-Y446 WeakPolarHBondContact O-CD2 3.4Å; E442-Y446 PolarHBondContact O-N 2.95Å; E442-R449 IonicContact OE1-NH2 3.64Å
443N85.9Confident76.3Confident90 Ų90110.2 Ų110.248%0.48152%0.523SS..Hα-helixtrans-65.5-40175-165.321.3000111.9S439 R445 Y446 Q447S439-N443 VanDerWaalsContact O-CB 3.26Å; S439-N443 WeakPolarHBondContact O-CB 3.42Å; S439-N443 PolarHBondContact O-N 2.99Å; N443-R445 VanDerWaalsContact C-N 3.34Å; N443-R445 PolarHBondContact O-N 3.49Å; N443-Y446 PolarHBondContact O-N 3.35Å; N443-Q447 PolarHBondContact O-N 3.16Å
444S80.2Confident77.5Confident36 Ų36105.9 Ų105.925%0.25251%0.509SS..Hα-helixtrans-60.8-43.7174.3-58.80000111.3W440 V441 Y446 Q447 T448W440-S444 WeakPolarHBondContact O-CB 3.4Å; W440-S444 PolarHBondContact O-N 3.31Å; W440-S444 PolarHBondContact O-OG 3.32Å; V441-S444 PolarHBondContact O-N 3.49Å; S444-Y446 VanDerWaalsContact C-N 3.34Å; S444-Y446 PolarHBondContact O-N 3.01Å; S444-Q447 PolarHBondContact O-N 2.7Å; S444-T448 PolarHBondContact O-N 3.06Å; S444-T448 PolarHBondContact O-OG1 3.15Å; S444-T448 VanDerWaalsContact O-OG1 3.05Å
445R86.4Confident78.1Confident133 Ų133101.1 Ų101.150%0.50250%0.499SS..Hα-helixtrans-62.2-38.8174.4-72.4168.1172-177.2-4112.5V441 E442 N443 R449V441-R445 WeakPolarHBondContact O-CG 3.23Å; V441-R445 PolarHBondContact O-N 3.15Å; E442-R445 WeakPolarHBondContact O-CB 3.12Å; E442-R445 PolarHBondContact O-N 3.46Å; E442-R445 IonicContact OE1-NH1 2.69Å; E442-R445 IonicContact OE2-NH1 3.28Å; E442-R445 PolarHBondContact OE2-NH1 3.04Å; N443-R445 VanDerWaalsContact C-N 3.34Å; N443-R445 PolarHBondContact O-N 3.49Å; R445-R449 WeakPolarHBondContact O-CB 3.41Å; R445-R449 WeakPolarHBondContact O-CG 3.36Å; R445-R449 PolarHBondContact O-N 3.48Å; R445-R449 PolarHBondContact O-NE 3.15Å
446Y85.2Confident77.8Confident145 Ų145104.7 Ų104.757%0.56952%0.515SS*.Hα-helixtrans-65.1-43.9174.4-98.4-79.1000112.5E442 N443 S444 R449 Q450E442-Y446 WeakPolarHBondContact O-CD2 3.4Å; E442-Y446 PolarHBondContact O-N 2.95Å; N443-Y446 PolarHBondContact O-N 3.35Å; S444-Y446 VanDerWaalsContact C-N 3.34Å; S444-Y446 PolarHBondContact O-N 3.01Å; Y446-R449 PolarHBondContact O-N 2.91Å; Y446-Q450 PolarHBondContact O-N 2.83Å
447Q79.5Confident77Confident118 Ų11898.1 Ų98.155%0.55150%0.495SS*.Hα-helixtrans-62.2-43174.8-72.6-176.7-9.900112.2N443 S444 R449 Q450 L451N443-Q447 PolarHBondContact O-N 3.16Å; S444-Q447 PolarHBondContact O-N 2.7Å; Q447-R449 PolarHBondContact O-N 2.86Å; Q447-Q450 PolarHBondContact O-N 2.95Å; Q447-L451 WeakPolarHBondContact O-CG 3.48Å; Q447-L451 PolarHBondContact O-N 3.39Å
448T78.7Confident76.2Confident75 Ų7599.4 Ų99.446%0.4650%0.503SS..Hα-helixtrans-63.6-39.9174.8-52.10000112S444 L451 L452S444-T448 PolarHBondContact O-N 3.06Å; S444-T448 PolarHBondContact O-OG1 3.15Å; S444-T448 VanDerWaalsContact O-OG1 3.05Å; T448-L451 PolarHBondContact O-N 3.15Å; T448-L452 HydrophobicContact CG2-CD1 4.15Å; T448-L452 VanDerWaalsContact O-CG 3.31Å; T448-L452 WeakPolarHBondContact O-CG 3.25Å; T448-L452 PolarHBondContact O-N 3.29Å; T448-L452 VanDerWaalsContact O-N 3.09Å
449R83.6Confident75.1Confident109 Ų109102.4 Ų102.441%0.41152%0.519SS..Hα-helixtrans-62.9-42.9174.4-78.6-176.2-69.8-110.73.3112.2E442 R445 Y446 Q447 L452 Q453E442-R449 IonicContact OE1-NH2 3.64Å; R445-R449 WeakPolarHBondContact O-CB 3.41Å; R445-R449 WeakPolarHBondContact O-CG 3.36Å; R445-R449 PolarHBondContact O-N 3.48Å; R445-R449 PolarHBondContact O-NE 3.15Å; Y446-R449 PolarHBondContact O-N 2.91Å; Q447-R449 PolarHBondContact O-N 2.86Å; R449-L452 PolarHBondContact O-N 3.5Å; R449-Q453 WeakPolarHBondContact O-CB 3.46Å; R449-Q453 PolarHBondContact O-N 3.38Å
450Q80Confident73.9Confident88 Ų88104.4 Ų104.441%0.41153%0.528SS..Hα-helixtrans-61.6-49.9173.6-88.5-50.212900111.9Y446 Q447 L452 Q453 D454Y446-Q450 PolarHBondContact O-N 2.83Å; Q447-Q450 PolarHBondContact O-N 2.95Å; Q450-L452 PolarHBondContact O-N 2.8Å; Q450-L452 VanDerWaalsContact O-N 3.14Å; Q450-Q453 CarbonylContact O-C 3.55Å; Q450-Q453 WeakPolarHBondContact O-CA 3.38Å; Q450-Q453 PolarHBondContact O-N 2.78Å; Q450-D454 PolarHBondContact NE2-OD1 2.93Å; Q450-D454 PolarHBondContact NE2-OD2 3.41Å; Q450-D454 VanDerWaalsContact NE2-OD2 3.13Å; Q450-D454 VanDerWaalsContact O-CB 3.31Å; Q450-D454 WeakPolarHBondContact O-CB 3.33Å; Q450-D454 PolarHBondContact O-N 2.87Å; Q450-D454 VanDerWaalsContact O-OD2 3.06Å
451L79Confident72.3Confident74 Ų74100.9 Ų100.939%0.38753%0.529SS..Hα-helixtrans-59.9-29.8-179.7-69.6167.4000113.7Q447 T448 M456 I457Q447-L451 WeakPolarHBondContact O-CG 3.48Å; Q447-L451 PolarHBondContact O-N 3.39Å; T448-L451 PolarHBondContact O-N 3.15Å; L451-M456 HydrophobicContact CD2-CB 4.47Å; L451-M456 PolarHBondContact O-N 3.06Å; L451-M456 VanDerWaalsContact O-N 3.1Å; L451-I457 HydrophobicContact CB-CD1 3.81Å; L451-I457 HydrophobicContact CB-CG1 4.28Å; L451-I457 HydrophobicContact CD1-CD1 4.3Å; L451-I457 PolarHBondContact O-N 3.37Å
452L80.3Confident70.2Confident74 Ų74106.4 Ų106.439%0.38755%0.551SS.*Hα-helixtrans-75.7-37.7171.6-71166.6000112.5T448 R449 Q450 G455 I457 V459T448-L452 HydrophobicContact CG2-CD1 4.15Å; T448-L452 VanDerWaalsContact O-CG 3.31Å; T448-L452 WeakPolarHBondContact O-CG 3.25Å; T448-L452 PolarHBondContact O-N 3.29Å; T448-L452 VanDerWaalsContact O-N 3.09Å; R449-L452 PolarHBondContact O-N 3.5Å; Q450-L452 PolarHBondContact O-N 2.8Å; Q450-L452 VanDerWaalsContact O-N 3.14Å; L452-G455 PolarHBondContact O-N 3.13Å; L452-I457 HydrophobicContact CD2-CB 4.18Å; L452-I457 HydrophobicContact CD2-CG2 4.24Å; L452-V459 HydrophobicContact CD2-CG2 4.41Å
453Q74.3Confident68Low151 Ų151106.9 Ų106.971%0.70657%0.569SS**Hα-helixtrans-75.7-31.9179.3-174166.9-10.800112.8R449 Q450 G455R449-Q453 WeakPolarHBondContact O-CB 3.46Å; R449-Q453 PolarHBondContact O-N 3.38Å; Q450-Q453 CarbonylContact O-C 3.55Å; Q450-Q453 WeakPolarHBondContact O-CA 3.38Å; Q450-Q453 PolarHBondContact O-N 2.78Å; Q453-G455 PolarHBondContact O-N 3.22Å
454D75.8Confident65.6Low97 Ų97110.1 Ų110.152%0.51958%0.581SS.*THydrogen-bonded Turntrans-78.73.1175.3-58.7-31000111.9Q450 M456Q450-D454 PolarHBondContact NE2-OD1 2.93Å; Q450-D454 PolarHBondContact NE2-OD2 3.41Å; Q450-D454 VanDerWaalsContact NE2-OD2 3.13Å; Q450-D454 VanDerWaalsContact O-CB 3.31Å; Q450-D454 WeakPolarHBondContact O-CB 3.33Å; Q450-D454 PolarHBondContact O-N 2.87Å; Q450-D454 VanDerWaalsContact O-OD2 3.06Å; D454-M456 HydrophobicContact CB-CG 4.24Å; D454-M456 PolarHBondContact O-N 3.36Å
455G68.6Low63.6Low62 Ų62112.6 Ų112.664%0.63960%0.596SS**THydrogen-bonded Turntrans67.112.7176.600000115.1L452 Q453 I457L452-G455 PolarHBondContact O-N 3.13Å; Q453-G455 PolarHBondContact O-N 3.22Å; G455-I457 VanDerWaalsContact C-N 3.32Å; G455-I457 PolarHBondContact O-N 3Å
456M62.7Low61.2Low154 Ų154115 Ų11576%0.75961%0.613SS**  trans-82.4-8.7-175.7-60.3-143.8109.500113.8L451 D454L451-M456 HydrophobicContact CD2-CB 4.47Å; L451-M456 PolarHBondContact O-N 3.06Å; L451-M456 VanDerWaalsContact O-N 3.1Å; D454-M456 HydrophobicContact CB-CG 4.24Å; D454-M456 PolarHBondContact O-N 3.36Å
457I53Low58.9Low84 Ų84116.6 Ų116.643%0.43162%0.623SS.*SBendtrans-134.5121.7176.3-56.4178.1000107.9L451 L452 G455 V459L451-I457 HydrophobicContact CB-CD1 3.81Å; L451-I457 HydrophobicContact CB-CG1 4.28Å; L451-I457 HydrophobicContact CD1-CD1 4.3Å; L451-I457 PolarHBondContact O-N 3.37Å; L452-I457 HydrophobicContact CD2-CB 4.18Å; L452-I457 HydrophobicContact CD2-CG2 4.24Å; G455-I457 VanDerWaalsContact C-N 3.32Å; G455-I457 PolarHBondContact O-N 3Å; I457-V459 PolarHBondContact O-N 2.91Å
458D56.4Low56.9Low149 Ų149115.3 Ų115.380%0.79763%0.627SS**  trans-58.1133.7175.6-98.1-36.7000111.3V460D458-V460 PolarHBondContact O-N 2.8Å
459V52.2Low55.1Low113 Ų113118.4 Ų118.469%0.68564%0.641SS**  trans-73.183.1172.7-1770000108.5L452 I457 P461L452-V459 HydrophobicContact CD2-CG2 4.41Å; I457-V459 PolarHBondContact O-N 2.91Å; V459-P461 VanDerWaalsContact O-CD 3.27Å; V459-P461 WeakPolarHBondContact O-CD 3.36Å
460V48.5Very low52.8Low121 Ų121120.8 Ų120.873%0.73366%0.661SS**  trans-59.5118.9167.8179.80000107.5D458 Q462D458-V460 PolarHBondContact O-N 2.8Å; V460-Q462 PolarHBondContact O-N 2.8Å; V460-Q462 VanDerWaalsContact O-N 3.13Å
461P44.9Very low50.9Low110 Ų110121.8 Ų121.871%0.71467%0.673SS**  trans-57.4123.6-178.7-25.234.8000109.7V459 A463V459-P461 VanDerWaalsContact O-CD 3.27Å; V459-P461 WeakPolarHBondContact O-CD 3.36Å; P461-A463 PolarHBondContact O-N 3.08Å
462Q37.7Very low48.7Very low170 Ų170128.7 Ų128.779%0.79469%0.694SS**  trans-64.499.8178.8-170.8-177.336.500108.3V460 Q464V460-Q462 PolarHBondContact O-N 2.8Å; V460-Q462 VanDerWaalsContact O-N 3.13Å; Q462-Q464 PolarHBondContact O-N 3.04Å
463A34.7Very low46.4Very low91 Ų91133.9 Ų133.975%0.75272%0.716SS**  trans-54.7114.4173.800000107.8P461 P465P461-A463 PolarHBondContact O-N 3.08Å; A463-P465 WeakPolarHBondContact O-CD 3.41Å; A463-P465 VanDerWaalsContact O-N 3.14Å
464Q36.1Very low44.7Very low158 Ų158134.2 Ų134.274%0.73872%0.718SS**  trans-52.8121.8-177.6-80.6-73.2-15.500108.6Q462 Q466Q462-Q464 PolarHBondContact O-N 3.04Å; Q464-Q466 VanDerWaalsContact C-N 3.33Å; Q464-Q466 PolarHBondContact O-N 2.97Å
465P37.2Very low42.8Very low89 Ų89134.3 Ų134.358%0.57873%0.726SS**  trans-65.8100.7175.526.4-31.8000107.4A463 K467A463-P465 WeakPolarHBondContact O-CD 3.41Å; A463-P465 VanDerWaalsContact O-N 3.14Å; P465-K467 PolarHBondContact O-N 2.89Å
466Q36.5Very low41.3Very low182 Ų182139.5 Ų139.585%0.8574%0.738SS**  trans-52.5103.5167.6-79.2-80.4-18.100106.8Q464 S468Q464-Q466 VanDerWaalsContact C-N 3.33Å; Q464-Q466 PolarHBondContact O-N 2.97Å; Q466-S468 PolarHBondContact O-N 3.04Å
467K37Very low39.9Very low180 Ų180139 Ų13978%0.78374%0.738SS**  trans-71.186175.8-65.9177.1-175.3172.90106.8P465 D469P465-K467 PolarHBondContact O-N 2.89Å; K467-D469 PolarHBondContact O-N 3.15Å; K467-D469 VanDerWaalsContact O-N 3.11Å
468S38.7Very low38.9Very low90 Ų90142.5 Ų142.563%0.62975%0.753SS**  trans-62.9110.6157.844.70000106.4Q466 L470Q466-S468 PolarHBondContact O-N 3.04Å; S468-L470 PolarHBondContact O-N 2.94Å
469D39.4Very low38.1Very low141 Ų141143.5 Ų143.575%0.75475%0.75SS**  trans-65.188.3172.7-77.4-42.1000108.2K467 T471K467-D469 PolarHBondContact O-N 3.15Å; K467-D469 VanDerWaalsContact O-N 3.11Å; D469-T471 PolarHBondContact O-N 3.42Å; D469-T471 PolarHBondContact O-OG1 3.07Å
470L35.2Very low37.3Very low158 Ų158145.8 Ų145.883%0.82775%0.753SS**  trans-6773171.4-73.1170.9000108.5S468 R472S468-L470 PolarHBondContact O-N 2.94Å; L470-R472 PolarHBondContact O-N 3.44Å
471T41.8Very low36.7Very low110 Ų110146.5 Ų146.568%0.67575%0.753SS**  trans-54.1108.6170.128.70000107.3D469 H473D469-T471 PolarHBondContact O-N 3.42Å; D469-T471 PolarHBondContact O-OG1 3.07Å; T471-H473 PolarHBondContact O-N 3.36Å
472R31.4Very low36Very low219 Ų219146.4 Ų146.483%0.82676%0.755SS**  trans-54.1106.7179-180-173.3-60.4-1550.1108L470 Q474L470-R472 PolarHBondContact O-N 3.44Å; R472-Q474 VanDerWaalsContact C-N 3.29Å; R472-Q474 PolarHBondContact O-N 2.93Å
473H33Very low35.7Very low182 Ų182149 Ų14984%0.84376%0.759SS**  trans-58.795.2174.3-71.2-83.2000108.8T471 S475T471-H473 PolarHBondContact O-N 3.36Å; H473-S475 PolarHBondContact O-N 3.47Å; H473-S475 VanDerWaalsContact O-N 3.12Å
474Q39Very low35.7Very low159 Ų159155.6 Ų155.674%0.74376%0.764SS**  trans-61113167.4-72.9-88.42.400105.8R472 L476R472-Q474 VanDerWaalsContact C-N 3.29Å; R472-Q474 PolarHBondContact O-N 2.93Å; Q474-L476 PolarHBondContact O-N 3.32Å
475S34.1Very low35.6Very low99 Ų99154 Ų15469%0.69277%0.766SS**  trans-52.1110.7176.449.90000109.2H473 N477H473-S475 PolarHBondContact O-N 3.47Å; H473-S475 VanDerWaalsContact O-N 3.12Å; S475-N477 PolarHBondContact O-N 3.06Å
476L37.7Very low35.5Very low171 Ų171157.2 Ų157.290%0.89578%0.778SS**  trans-63.2104.4172.4-73.3172.7000107.4Q474 E478Q474-L476 PolarHBondContact O-N 3.32Å; L476-E478 PolarHBondContact O-N 3.16Å
477N34.3Very low35.3Very low142 Ų142155.7 Ų155.776%0.75978%0.776SS**  trans-61.9103.6169.4-94.5-41000107.7S475 K479S475-N477 PolarHBondContact O-N 3.06Å; N477-K479 PolarHBondContact O-N 2.99Å
478E30.9Very low35.3Very low158 Ų158156.7 Ų156.774%0.73878%0.78SS**  trans-66.775.5178-166.8-171.8151.400110.2L476 Q480L476-E478 PolarHBondContact O-N 3.16Å; E478-Q480 HydrophobicContact CG-CG 4.31Å; E478-Q480 PolarHBondContact O-N 2.97Å; E478-Q480 PolarHBondContact OE1-NE2 3.02Å
479K40.1Very low35.1Very low170 Ų170160.8 Ų160.874%0.73979%0.792SS**  trans-7495.8168.7-72.6-170.1176.9-176.30108N477 N481N477-K479 PolarHBondContact O-N 2.99Å; K479-N481 PolarHBondContact O-N 3.25Å
480Q34.6Very low34.9Very low161 Ų161163.4 Ų163.475%0.75280%0.796SS**  trans-64.573.7168.3-64.6-169.8-5.700110.7E478 S482E478-Q480 HydrophobicContact CG-CG 4.31Å; E478-Q480 PolarHBondContact O-N 2.97Å; E478-Q480 PolarHBondContact OE1-NE2 3.02Å; Q480-S482 PolarHBondContact O-N 3.43Å
481N37.6Very low34.9Very low137 Ų137166.6 Ų166.673%0.73380%0.799SS**  trans-79.8112.9166.3-79.1-1.4000107.7K479K479-N481 PolarHBondContact O-N 3.25Å
482S28.7Very low34.4Very low108 Ų108172.6 Ų172.676%0.75581%0.809SS**  trans-62.5136.8-173.750.10000112.5Q480 R484Q480-S482 PolarHBondContact O-N 3.43Å; S482-R484 PolarHBondContact O-N 3.04Å
483Y31.5Very low34.4Very low223 Ų223169.6 Ų169.688%0.87580%0.804SS**  trans-66.688.6176.3-67.3-93.3000110.9T485Y483-T485 PolarHBondContact O-N 2.87Å
484R34.5Very low34.4Very low230 Ų230166 Ų16687%0.86880%0.797SS**  trans-81.596.4159.5-92.9-169.5172.3-167.6-1.5109.4S482 N486S482-R484 PolarHBondContact O-N 3.04Å; R484-N486 PolarHBondContact O-N 3.32Å
485T34.1Very low34.2Very low125 Ų125164.8 Ų164.877%0.76780%0.796SS**  trans-63.187.7173.445.60000111.6Y483 N487Y483-T485 PolarHBondContact O-N 2.87Å; T485-N487 PolarHBondContact O-N 2.96Å
486N36.5Very low34.2Very low157 Ų157167.9 Ų167.984%0.8480%0.804SS**  trans-74.682.1167.9-87.8-7.4000110.2R484 K488R484-N486 PolarHBondContact O-N 3.32Å; N486-K488 VanDerWaalsContact C-N 3.33Å; N486-K488 PolarHBondContact O-N 3.45Å
487N32.1Very low34.1Very low149 Ų149165 Ų16580%0.79780%0.796SS**  trans-70.481.7176.1-174.418.7000111.3T485T485-N487 PolarHBondContact O-N 2.96Å
488K36.1Very low33.9Very low202 Ų202163.9 Ų163.988%0.87880%0.799SS**  trans-139.168.8167.9-73.6-165.2176.3-175.60111.5N486N486-K488 VanDerWaalsContact C-N 3.33Å; N486-K488 PolarHBondContact O-N 3.45Å
489M34.1Very low34.1Very low176 Ų176167.5 Ų167.587%0.86781%0.806SS**  trans-99.4162.4152.5-83.9-167.616800109.7
490K36.2Very low33.9Very low196 Ų196167.4 Ų167.485%0.85281%0.808SS**  trans79.377.8-175.1-52.1-174.4179.7-173.70115.4
491Y35.8Very low34.1Very low224 Ų224165.5 Ų165.588%0.87881%0.81SS**  -145.1115.9111.3-103.2-80.1000108.2
492R29.5Very low33.8Very low236 Ų236167.2 Ų167.289%0.89182%0.817SS**  trans-116.5122.6163.9-84.7-174.6173.9178.2-2.6105.8
493H32.7Very low34Very low157 Ų157171 Ų17173%0.72782%0.82SS**  trans-113.7116.6155.9-103.2-79.9000106.7D495H493-D495 IonicContact ND1-OD2 3.82Å
494P32.3Very low33.9Very low106 Ų106168.4 Ų168.469%0.68881%0.814SS**  trans-111.774.1-177.438.8-27.4000111.6
495D35.9Very low33.8Very low134 Ų134163 Ų16372%0.71780%0.802SS**  trans-136.593.3178.7-59.8-69.5000110H493H493-D495 IonicContact ND1-OD2 3.82Å
496D33.5Very low33.5Very low163 Ų163163 Ų16387%0.87281%0.807SS**  179.8132.6111.3-129.4-15.8000111.2
497P35.3Very low33.4Very low111 Ų111163 Ų16372%0.72181%0.805SS**  trans-98156.7-17536.6-32.3000114.9
498S30.9Very low33Very low119 Ų119161.9 Ų161.983%0.83281%0.809SS**  trans-49.9127.9178.355.80000116.8
499R34.2Very low32.8Very low234 Ų234156.4 Ų156.488%0.88380%0.796SS**  trans-158.2138.9157-93.7172-169.4-118.64.7105.8
500E37.2Very low32.6Very low167 Ų167154.9 Ų154.978%0.7879%0.792SS**  cis-140.2160.413-61.7-171.1127.100112
501P38.3Very low32.2Very low122 Ų122154 Ų15479%0.79279%0.79SS**  trans-85139.2177.732.9-34000114.2
502I30.4Very low32.1Very low173 Ų173153.2 Ų153.289%0.88779%0.792SS**  trans-61.5137.2-179.2-62.3157.4000112
503K33.5Very low32.1Very low186 Ų186149.2 Ų149.281%0.80979%0.788SS**  trans-120.4120.6167.6-77.5-175.6-179.3171.70111.9
504K29.6Very low32.1Very low170 Ų170147.2 Ų147.274%0.73979%0.789SS**  trans74.4136.2130.7-74.6-163.3169.1-156.40121.7
505D32.8Very low32.1Very low117 Ų117148.4 Ų148.463%0.62679%0.794SS**  trans65.790.7145.5-45.9-15.4000116.2
506S28Very low31.8Very low125 Ų125151.1 Ų151.187%0.87480%0.8SS**  6180.275.8-55.10000113.7
507I34Very low31.7Very low157 Ų157149 Ų14981%0.80580%0.795SS**  trans-115.9125.1167.8-62.1176.3000108
508S23.2Very low31.5Very low124 Ų124152 Ų15287%0.86780%0.804SS**  trans-13694.7-177.6165.50000109.6
509S31.1Very low31.5Very low87 Ų87152.5 Ų152.561%0.60880%0.797SS**  trans-177.3147.9172.653.90000106.8
510D30.6Very low31.4Very low145 Ų145147.8 Ų147.878%0.77579%0.79SS**  cis-161.8161.9-15.8-111.9-46.7000107.5
511Q27.5Very low31Very low176 Ų176146 Ų14682%0.82279%0.786SS**  trans-7132.3166.8-59.7173.1-20.400120.1
512K33.3Very low30.6Very low209 Ų209147.8 Ų147.891%0.90978%0.783SS**  -167.8159.3124.4-106.8166.7-172.4-179.70114.2
513D29.9Very low30.6Very low151 Ų151146.4 Ų146.481%0.80778%0.777SS**  trans-69.5162.2-161.5-77.3-64.5000118.2
514P32.6Very low30.6Very low115 Ų115146.4 Ų146.475%0.74778%0.777SS**  trans-91.9146.6177.536.5-33.8000113.6
515T32.6Very low30.6Very low131 Ų131148.3 Ų148.380%0.80479%0.785SS**  trans-149.7136.1166.3-20.90000114.1
516K30.1Very low30.7Very low191 Ų191148.8 Ų148.883%0.8379%0.792SS**  trans86.5119.9163.7-56.1-167.1177.4-179.70118.9
517P30.3Very low30.9Very low120 Ų120150.1 Ų150.178%0.77979%0.79SS**  trans-89.7173.8167.639-34.8000111.6
518L32.4Very low30.7Very low172 Ų172150.9 Ų150.990%0.90180%0.796SS**  trans-134.2104.8166.6-157.3138.2000110.1
519D30.7Very low31Very low130 Ų130151.5 Ų151.570%0.69579%0.789SS**  trans-71.5143.4170.4-78-56000111.2
520N31Very low31Very low136 Ų136156 Ų15673%0.72780%0.797SS**  -177.2127.8116.3-98.8-41.5000114.2
521N30.2Very low31.2Very low130 Ų130156.3 Ų156.370%0.69580%0.799SS**  trans45.2118.1144-56-39.7000121
522Q28.3Very low31.2Very low159 Ų159154.6 Ų154.674%0.74379%0.794SS**  cis82.2132.646.4-68.9-98.149.200115.4
523L30.2Very low31.2Very low144 Ų144153.2 Ų153.275%0.75479%0.79SS**  trans66.1142.8168.3-83.875.7000115.9
524K35.1Very low31Very low185 Ų185154.6 Ų154.680%0.80479%0.789SS**  cis-136.314024.6-64.3171.9-178.2177.60112.5
525K28.7Very low30.8Very low210 Ų210158.3 Ų158.391%0.91379%0.793SS**  trans-112.4124.5152.7-75.1179.3177.6176.60107.2
526T35.7Very low30.6Very low127 Ų127156.9 Ų156.978%0.77979%0.789SS**  trans-151.3137.2162.3430000108.7
527D31.3Very low30.6Very low154 Ų154155.4 Ų155.482%0.82479%0.787SS**  trans-72157.9-172.4-49.7-87.4000113.2
528N29.8Very low30.5Very low173 Ų173155.2 Ų155.293%0.92578%0.784SS**  trans-154135.3140.6-113.7-38.5000111
529L30Very low30.3Very low137 Ų137153.5 Ų153.572%0.71777%0.771SS**  trans-126.6120.4-166-163.5129.6000109.6
530K30.4Very low30.2Very low181 Ų181155 Ų15579%0.78777%0.771SS**  trans54.4119.7167.6-60.5174.2-173.4169.20116.9
531D35Very low30.1Very low152 Ų152155.5 Ų155.581%0.81377%0.769SS**  trans-139.5151.3133.1-134.2-26.8000112.5
532I28Very low30Very low139 Ų139156.1 Ų156.171%0.71377%0.768SS**  trans-112.3107.7-173.7-63.8172.7000108.7
533H32.4Very low30.1Very low181 Ų181154.2 Ų154.284%0.83876%0.762SS**  trans-125.1118.8166.4-94.9-90.8000112.7
534K26.7Very low30.5Very low179 Ų179157.5 Ų157.578%0.77877%0.765SS**  trans-96.8155163.9-68.7179.2175.1177.70109.1
535K29.2Very low30.3Very low194 Ų194156.8 Ų156.884%0.84377%0.77SS**  trans100.9149.9156.7-59.7179.7175.8179.70117.4
536S26.7Very low30.5Very low100 Ų100156.3 Ų156.370%0.69977%0.768SS**  trans57.1109.3167.853.50000117.6
537M31Very low30.4Very low160 Ų160158.8 Ų158.879%0.78877%0.768SS**  -163133103.9-92.9-43.4164.700110.4
538T28.2Very low30.6Very low117 Ų117158.5 Ų158.572%0.71877%0.766SS**  trans27.6147.1133.341.30000120.4
539E27.7Very low30.7Very low136 Ų136157.3 Ų157.364%0.63676%0.76SS**  cis177.1159.26.8155.9-175.6-135.200110.3
540K28.9Very low31Very low161 Ų161158.5 Ų158.570%0.777%0.765SS**  trans63154.9164.9-72.6157.1-172.4146.90117.1
541Q28.7Very low31Very low147 Ų147154.9 Ų154.969%0.68776%0.76SS**  cis-161.8165.2-14.4-107.7-78.213.800110.8
542H27.8Very low30.6Very low143 Ų143157.5 Ų157.566%0.66276%0.764SS**  trans49.999.3157.9-87.7-70000122.9
543D31.7Very low31Very low118 Ų118157.4 Ų157.463%0.63177%0.77SS**  96.1154.598.6-131.7-11.1000124.1
544R37.3Very low31.1Very low214 Ų214154.1 Ų154.181%0.80876%0.763SS**  trans6972.5162.2-59.2176.9-166.6-168.43.4118.3
545N31.5Very low31.2Very low169 Ų169153.1 Ų153.190%0.90476%0.761SS**  trans-117.9101.4145.8-95.7-53.1000110.3K547N545-K547 PolarHBondContact O-N 3.49Å
546K33Very low31.4Very low201 Ų201151.6 Ų151.687%0.87476%0.757SS**  trans-80.3109.3168.7-116-175.3177.4-174.50108.4
547K33.9Very low31.6Very low179 Ų179154.3 Ų154.378%0.77876%0.756SS**  trans-148.599.3166.5-159.8168.9-171.1173.80110.2N545 N549N545-K547 PolarHBondContact O-N 3.49Å; K547-N549 PolarHBondContact O-N 3.5Å
548D34.7Very low31.5Very low148 Ų148154.2 Ų154.279%0.79175%0.754SS**  trans-64.3116.1-178.4-56.4-64.1000110.3
549N32.6Very low31.5Very low147 Ų147155 Ų15579%0.78675%0.749SS**  trans-104113.5170.2-83.4-73.4000108.5K547K547-N549 PolarHBondContact O-N 3.5Å
550I34.8Very low31.5Very low162 Ų162155.9 Ų155.983%0.83175%0.751SS**PPolyproline II helixtrans-72141.2168.6-72.1178.1000108.6
551P30.6Very low31.4Very low106 Ų106156.7 Ų156.769%0.68875%0.754SS**PPolyproline II helixtrans-87.4160.9-149.733.3-36.9000114.8
552K28.2Very low31.4Very low206 Ų206159.4 Ų159.490%0.89676%0.76SS**PPolyproline II helixtrans-69.6126170.3-62.4169.8179.8173.90110.1
553T35.3Very low31.3Very low137 Ų137157.5 Ų157.584%0.8476%0.763SS**  trans-102.3106.5161.636.80000111.2
554T34Very low31Very low113 Ų113157.2 Ų157.269%0.69377%0.768SS**  trans-18.2126.1154.7-40.10000117.3
555E30Very low30.6Very low157 Ų157155.4 Ų155.473%0.73477%0.774SS**  trans40.6122.5137.2-50.3173.3-176.700121.7
556H33.3Very low30.4Very low162 Ų162152.4 Ų152.475%0.7577%0.766SS**  -166.2142.6104.1-99.6-17.6000114.6
557K29.8Very low30.5Very low157 Ų157148.4 Ų148.468%0.68376%0.761SS**  trans19.2122.9150.7-66.3179.4179.5177.80119.6
558Q29.4Very low30.1Very low159 Ų159151.4 Ų151.474%0.74377%0.767SS**  62.5143101.5-62.1178-50.700115.5
559E28.4Very low29.7Very low132 Ų132152.6 Ų152.662%0.61777%0.768SS**  cis-163.1151.7-11.7-113.4-163.316200108
560K28.2Very low29.5Very low155 Ų155154.2 Ų154.267%0.67477%0.771SS**  trans43.199.3144-61.3173.2-172.6143.10119.5
561K26.9Very low29Very low178 Ų178155.1 Ų155.177%0.77477%0.771SS**  162.7145.599.6-92.1177.8-179.8179.10114
562Y27.2Very low29.1Very low204 Ų204155.6 Ų155.680%0.877%0.774SS**  trans22.7104.4150.5-61.2-73000117.6
563S26Very low29.2Very low104 Ų104150.4 Ų150.473%0.72776%0.764SS**  104.3151.776.8-85.40000110.8
564P26.9Very low29.1Very low112 Ų112151.9 Ų151.973%0.72777%0.767SS**  trans-86.7125.6-148.831.8-34.9000113
565N27.1Very low28.8Very low175 Ų175155.1 Ų155.194%0.93677%0.774SS**  trans-114.992.3142.7-88.5-23.6000107.2
566S28.1Very low28.8Very low106 Ų106151.6 Ų151.674%0.74177%0.771SS**  trans-122.7145.1167.9-165.40000107.7
567P35.3Very low28.7Very low118 Ų118151.6 Ų151.677%0.76678%0.777SS**  -128.1152.5-51.134.6-22.4000111
568R24.7Very low28.7Very low242 Ų242151.9 Ų151.991%0.91379%0.786SS**  trans-118.790.2165.8-174.6-175.4-176.7-175.81.9109.5
569Q27.7Very low28.7Very low173 Ų173151.4 Ų151.481%0.80879%0.788SS**  trans170.1100.9152.4-100169.660.500109.8
570Q27.9Very low28.9Very low181 Ų181153 Ų15385%0.84680%0.8SS**  178.5149.5105.6-91.51747.800110.2
571H25Very low29.1Very low180 Ų180151 Ų15183%0.83380%0.801SS**  trans-71.8167.8-178.8-74.7-101000111
572P33Very low29.4Very low117 Ų117150.6 Ų150.676%0.7680%0.802SS**  cis-138.2147.123.438.7-19.4000117.7
573S30.1Very low29.6Very low96 Ų96149.7 Ų149.767%0.67181%0.805SS**  trans-109.1109.7162.252.60000109.4
574N32.3Very low29.9Very low169 Ų169149.6 Ų149.690%0.90480%0.804SS**  trans-76.9120.4163-72-20.8000107.6
575E28.2Very low30Very low180 Ų180150.6 Ų150.684%0.84181%0.808SS**  trans-138.9148.7-178-165.8169.1-134.500109
576A30.3Very low30.1Very low83 Ų83150.7 Ų150.769%0.68680%0.803SS**  trans63.5110.1-166.600000114
577N31Very low30Very low163 Ų163149.6 Ų149.687%0.87281%0.808SS**  -137.9130.456.6-72.4-48.3000113
578N30Very low29.8Very low162 Ų162151 Ų15187%0.86681%0.808SS**  trans-71.9142.8164.7-76.7-39.9000109.9
579L28.6Very low30.4Very low150 Ų150143.7 Ų143.779%0.78579%0.792SS**  trans-63.7137.2150.3-71.2109.8000108.5
580D32.7Very low30.5Very low164 Ų164144.3 Ų144.388%0.87779%0.794SS**  -150.2134.4122.5-105.2-30.6000109.4
581V32Very low30.7Very low114 Ų114142.7 Ų142.769%0.69179%0.786SS**  trans-11795.9-176.3175.10000107.5
582E34.4Very low30.9Very low170 Ų170140.1 Ų140.179%0.79479%0.788SS**  trans-131105.7169.7-87.2-70.3145.200108
583Q30.5Very low30.6Very low185 Ų185144 Ų14486%0.86479%0.793SS**  trans-90.9115.7172.8-70.7-178.9-12.700109.1
584S32Very low30.6Very low101 Ų101148.4 Ų148.471%0.70680%0.804SS**  trans-151.8117155.548.10000114.3
585V29.8Very low30.4Very low134 Ų134144.5 Ų144.581%0.81279%0.789SS**  trans50.483.9141.4-164.40000118.2
586E27.7Very low30.3Very low177 Ų177145.5 Ų145.583%0.82779%0.791SS**  43.194110.5-161.2162.5-151.100118.2
587G26.8Very low30.4Very low82 Ų82149.7 Ų149.785%0.84580%0.8SS**  trans-136.8101.5167.800000112.1
588I31.9Very low30.1Very low148 Ų148150.9 Ų150.976%0.75980%0.798SS**  trans-111.2133.5174.1-62.6174.6000105.2
589P36.2Very low30.3Very low89 Ų89151.8 Ų151.858%0.57880%0.796SS**  -149158.956.633.4-11000118.5H591P589-H591 PolarHBondContact O-CE1 2.93Å
590H30.2Very low30.7Very low185 Ų185149.7 Ų149.786%0.85679%0.792SS**  trans-120.7144.6146.8-99.9-64.3000111
591H32.4Very low30.3Very low147 Ų147149.4 Ų149.468%0.68179%0.79SS**  trans-113.9124.6-151.8-11-79.3000110.5P589P589-H591 PolarHBondContact O-CE1 2.93Å
592S28.7Very low30.3Very low126 Ų126154.1 Ų154.188%0.88180%0.801SS**  trans-133.8123.2175.1-172.10000111.1
593K27.4Very low30Very low198 Ų198154.1 Ų154.186%0.86180%0.801SS**  trans-82133.3-165-57.5162.8-179.61750112.5
594Q30Very low30.3Very low190 Ų190151 Ų15189%0.88880%0.799SS**  trans-174.3148.6149.6-102.8165.229.500106.1
595S26.8Very low30.3Very low86 Ų86153.6 Ų153.660%0.60181%0.805SS**  cis169.9144.4-17.251.70000104.4
596K27.2Very low30.3Very low201 Ų201156.4 Ų156.487%0.87481%0.807SS**  trans69.9115.4173.1-51.1176179.8178.50117
597I31.8Very low30.6Very low172 Ų172157.5 Ų157.588%0.88281%0.812SS**  -141.7136127.7-96.3148000106.7
598K26.1Very low30.7Very low188 Ų188158.6 Ų158.682%0.81781%0.806SS**  trans-104.9167.8166.4-77.1-176.1172.9-174.20107.9
599Q32.4Very low30.8Very low180 Ų180161.5 Ų161.584%0.84181%0.814SS**  trans109148.6164.9-58.6-68.1-8.600114
600P37.1Very low30.6Very low107 Ų107164.9 Ų164.970%0.69583%0.826SS**  trans-127.1179-142.244.8-31000114.6
601L24.2Very low30.9Very low158 Ų158161.8 Ų161.883%0.82782%0.822SS**  trans53.2105.9146.4-150.679.1000118
602K33.4Very low31Very low213 Ų213164.5 Ų164.593%0.92683%0.832SS**  trans-145.3144.5134.2-117.4172.3-173.4-178.70111.6
603E28Very low30.8Very low170 Ų170168 Ų16879%0.79483%0.831SS**  trans-98.7142.2-162.6-167.5166.2-154.800109.3
604S35.3Very low30.9Very low119 Ų119166.6 Ų166.683%0.83283%0.832SS**  trans-157.5143.3173-67.70000109.8
605D32.9Very low31Very low156 Ų156162.4 Ų162.483%0.83482%0.822SS**  trans-82.8161-146.5-83.7-68.6000119.1
606K30Very low31Very low193 Ų193163.4 Ų163.484%0.83983%0.828SS**  trans-69.9134.3172.7-55.8155.6-176.21630110.6
607Q33.5Very low31.2Very low200 Ų200165 Ų16594%0.93583%0.831SS**  trans-137.6139.1140.2-77.8-157.5-4.900111.8
608S30Very low31.2Very low104 Ų104162.5 Ų162.573%0.72782%0.823SS**  trans-89.2147.1-169.447.90000112.9
609K32.7Very low31.3Very low210 Ų210162 Ų16291%0.91382%0.821SS**  trans-127.7112.2157.6-83.6-176.6175.4175.10109.9
610L31.7Very low31.2Very low159 Ų159159.5 Ų159.583%0.83281%0.814SS**PPolyproline II helixtrans-83128.2176.5-78.8153.5000110.8
611P37.8Very low31.1Very low120 Ų120160.6 Ų160.678%0.77981%0.814SS**PPolyproline II helixtrans-82.5138163.132.2-30.4000110.7
612K33.1Very low31.8Very low204 Ų204161.4 Ų161.489%0.88782%0.819SS**PPolyproline II helixtrans-82.6137.5-173.6-64176.2178.9178.50112
613K25.9Very low32.2Very low200 Ų200157.9 Ų157.987%0.8781%0.81SS**PPolyproline II helixtrans-86.7140.4162.5-73179.3173.4-179.80109.9
614L28.5Very low32.6Very low168 Ų168157.3 Ų157.388%0.8881%0.812SS**  trans-145.6157.3151.8-104.9114.8000109.7
615P32.6Very low33Very low103 Ų103159.6 Ų159.667%0.66982%0.815SS**  trans-108.2173.2-146.440.1-34.6000115.7
616S27.1Very low33.1Very low106 Ų106159.2 Ų159.274%0.74181%0.813SS**PPolyproline II helixtrans-56.5134.9170.848.90000113.7
617Y31.9Very low33.2Very low236 Ų236161.3 Ų161.393%0.92582%0.816SS**PPolyproline II helixtrans-87141.9159.3-94.6-94.5000110.8
618T31.4Very low33Very low118 Ų118155.5 Ų155.572%0.72481%0.81SS**PPolyproline II helixtrans-95.7136.5178.6-490000108.7
619K27.9Very low33Very low179 Ų179157.2 Ų157.278%0.77881%0.811SS**  trans21.1131.2139.4-137-179.5-172.5-175.50118
620D31.1Very low33.1Very low127 Ų127157 Ų15768%0.67981%0.81SS**  165.7158.5121.7-77-20.3000112
621N33.5Very low33.2Very low130 Ų130157.9 Ų157.970%0.69581%0.81SS**  trans73.591.2169.4-41.2-41.2000118.5
622D40.5Very low32.7Very low174 Ų174158.8 Ų158.893%0.9381%0.813SS**  trans-111.4108.5141.9-80.6-48.7000106.1
623D39.9Very low33Very low139 Ų139154.9 Ų154.974%0.74381%0.809SS**  trans-86.6136.2-173.4-76.6-56.3000113.3D625D623-D625 PolarHBondContact O-N 3.24Å
624D37.8Very low33.2Very low158 Ų158149.8 Ų149.885%0.84580%0.804SS**  trans-12.1101.6161.9-66.2-37.7000119.4D626D624-D626 PolarHBondContact O-N 3.07Å
625D43Very low33.2Very low168 Ų168150.9 Ų150.990%0.89880%0.802SS**  trans-94.386.9159.1-106.9-28.6000112D623D623-D625 PolarHBondContact O-N 3.24Å
626D35Very low33.2Very low148 Ų148153.1 Ų153.179%0.79181%0.808SS**  trans56.9147.9145.5-142.94.4000123.5D624D624-D626 PolarHBondContact O-N 3.07Å
627R31.9Very low33.1Very low237 Ų237153.9 Ų153.989%0.89481%0.808SS**  trans-99.9107.8-166.1-62.4169.5177.7-126.8-2.5111.4
628G30.6Very low33.3Very low78 Ų78150.6 Ų150.680%0.80481%0.807SS**  trans-112.419.3-169.900000118.6
629N28.4Very low33.1Very low140 Ų140153.3 Ų153.375%0.74981%0.811SS**  trans16102.1161-165.929.1000119.2
630K35Very low33.3Very low206 Ų206152.6 Ų152.690%0.89681%0.814SS**  trans-140140.2150.5-75.5-160.9176.4178.50112.3
631E33.8Very low33.1Very low177 Ų177154 Ų15483%0.82782%0.821SS**  trans-87.2178.6-159.8-64.2166.6121.500114.7
632T28.6Very low32.8Very low138 Ų138152.3 Ų152.385%0.84782%0.819SS**  trans-106.3-169.7-166.479.20000111.1
633P39.4Very low32.2Very low122 Ų122151.3 Ų151.379%0.79281%0.809SS**  trans-123.5156.3-132.330.4-7.6000117.3
634A30.3Very low31.8Very low94 Ų94150.7 Ų150.778%0.77781%0.813SS**  trans-143.9122.516000000108.4
635K27.3Very low31.5Very low191 Ų191152.7 Ų152.783%0.8381%0.814SS**  72.1143.366.5-74.6-172.7175.9177.90113.9
636N32.4Very low30.8Very low150 Ų150153.7 Ų153.780%0.80281%0.813SS**  trans87.4102.7-172.7-49-12.8000111.6
637T26.4Very low30.5Very low122 Ų122152.8 Ų152.875%0.74881%0.813SS**  cis47.195.442.468.50000114.2
638N34.3Very low30.4Very low166 Ų166152.2 Ų152.289%0.88881%0.811SS**  -159.9147.5122.7-95.3-21.8000111.4
639E28.5Very low30.2Very low176 Ų176157.2 Ų157.282%0.82281%0.813SS**  trans-76157172.3-55.8171.9139.900109.9
640I32.2Very low30.4Very low164 Ų164156.2 Ų156.284%0.84182%0.817SS**  175.4127.2117.8-87.9156.8000111.3
641L26.7Very low30.1Very low157 Ų157152.4 Ų152.482%0.82281%0.807SS**  trans-46137.1163.9-178.672.1000114.4
642S26Very low30.2Very low93 Ų93153.4 Ų153.465%0.6581%0.811SS**  152.5155.6117.666.40000117
643Q28.8Very low30.3Very low153 Ų153154.3 Ų154.372%0.71581%0.805SS**  trans6598160.2-52.8-52.4-24.100121.1
644P31.8Very low30.1Very low127 Ų127158.7 Ų158.783%0.82581%0.812SS**  trans-82.1113.115132.4-27.7000110.7
645K30.8Very low30.2Very low199 Ų199162.9 Ų162.987%0.86581%0.812SS**  trans-85.3141.6172.2-81.6-178174.4177.30111.8
646Q27.5Very low30.5Very low190 Ų190165.6 Ų165.689%0.88882%0.818SS**  trans-76.5147.3172.1-61.9171.1-46.200111.5
647T30.1Very low30.3Very low128 Ų128163.7 Ų163.779%0.78581%0.811SS**  trans-157.3130.8161.222.80000112.5
648R30.3Very low30.5Very low225 Ų225164.2 Ų164.285%0.84981%0.809SS**  trans59.8122.6156.1-66.1176.4171.4161.8-3.1117.9
649E25.4Very low30.4Very low183 Ų183164.1 Ų164.186%0.85581%0.809SS**  65.5108.952.3-63.2-174.1150.600115
650S33.4Very low30.4Very low120 Ų120162.3 Ų162.384%0.83981%0.81SS**  trans-167.2121.314757.10000110.4
651D28.4Very low30.6Very low125 Ų125159.9 Ų159.967%0.66881%0.805SS**  trans-66156.9179.6-61.3-83.4000114.6
652H35.3Very low30.7Very low198 Ų198158.6 Ų158.692%0.91781%0.809SS**  trans-151.688.5136.8-95.8-49000112.6K654H652-K654 PolarHBondContact O-N 3.11Å
653H30.7Very low30.8Very low157 Ų157165.2 Ų165.273%0.72782%0.82SS**  trans-66121.2164-77.5-71.6000111.4
654K36Very low30.8Very low214 Ų214164.2 Ų164.293%0.9382%0.824SS**  trans-109.989.7161.4-108.9174.3-179.8169.10110.4H652H652-K654 PolarHBondContact O-N 3.11Å
655K31.8Very low30.9Very low182 Ų182165.3 Ų165.379%0.79183%0.828SS**  trans-71.7126.2168-66.6175.5178.9174.60108.9
656R33Very low30.8Very low249 Ų249163.7 Ų163.794%0.9483%0.829SS**  trans-122130.1155.4-77.8-17269.7163.50.9108.3
657T28.4Very low31.1Very low110 Ų110166.3 Ų166.368%0.67583%0.831SS**  trans-101.6-178.9-172.255.70000110.9
658N30.1Very low31Very low132 Ų132164 Ų16471%0.70683%0.832SS**  trans81.692.1163.2-45-12.2000116.2
659N32.7Very low30.9Very low165 Ų165156 Ų15688%0.88282%0.82SS**  -168.6151.7101.7-87-18.3000111.8
660V28.3Very low31.2Very low137 Ų137156.6 Ų156.683%0.8382%0.822SS**  trans-147.4155.4-152.4149.70000107.2
661P38Very low31Very low114 Ų114159 Ų15974%0.7482%0.82SS**  -124.3167.7-87.619.36.6000114
662S28.7Very low31.3Very low130 Ų130158.6 Ų158.691%0.90982%0.824SS**  trans-87.7126.9171.5-600000111.7
663R28Very low31.1Very low232 Ų232155.7 Ų155.788%0.87582%0.82SS**  trans-86138.6-179.6-86.2-179.2168.8169.4-3.7113.3
664T28Very low31.1Very low131 Ų131154.5 Ų154.580%0.80482%0.824SS**  trans13.4127.2145.553.40000119.8
665V34.2Very low30.7Very low151 Ų151150.8 Ų150.892%0.91582%0.82SS**  trans-132.2118.7147.7-111.30000109.1
666D29.3Very low30.8Very low165 Ų165150.5 Ų150.588%0.88282%0.821SS**  trans-78.7138.7173.7-120.9-41.6000110.7
667R33.4Very low30.7Very low244 Ų244144.5 Ų144.592%0.92181%0.812SS**  trans-151.9108.2165-151.2172.6-163.2150.45.2109.3
668G27Very low30.7Very low79 Ų79149.7 Ų149.781%0.81482%0.82SS**  trans-75.4-175.2-169.400000115.3
669G28.3Very low30.7Very low58 Ų58146.7 Ų146.760%0.59882%0.82SS**  trans157.50.9176.500000116.8H671G669-H671 PolarHBondContact O-N 2.7Å
670H33Very low30.7Very low195 Ų195147.4 Ų147.490%0.90382%0.815SS**  trans-90.3100.5175.4-70.1-60000111.2
671H28.8Very low31Very low172 Ų172146.7 Ų146.780%0.79681%0.811SS**  trans-65.5127.5170.3-62.3-88.9000109.7G669G669-H671 PolarHBondContact O-N 2.7Å
672P34.1Very low30.9Very low115 Ų115146.6 Ų146.675%0.74781%0.808SS**  trans-74.7129.7-178.528.7-33.4000111.1T674P672-T674 PolarHBondContact O-N 2.87Å; P672-T674 VanDerWaalsContact O-N 3.17Å
673T32.2Very low31.4Very low137 Ų137147 Ų14784%0.8480%0.8SS**  trans-69.5106.4169.948.50000109.8
674T30.6Very low31.7Very low132 Ų132144.1 Ų144.181%0.8180%0.797SS**  trans-68.1143177.646.20000111.2P672P672-T674 PolarHBondContact O-N 2.87Å; P672-T674 VanDerWaalsContact O-N 3.17Å
675T27.6Very low32.3Very low136 Ų136144.8 Ų144.883%0.83480%0.795SS**  trans-93.5112-178.3-61.40000109.8
676E33.3Very low32.6Very low177 Ų177143.2 Ų143.283%0.82779%0.787SS**  trans-132.7103.1166.2-73.2-157.4147.300113.3
677T31.7Very low32.9Very low122 Ų122138.6 Ų138.675%0.74878%0.779SS**  47.587.1122.2-35.30000119.6G679T677-G679 PolarHBondContact O-N 3.17Å
678R26.8Very low33.3Very low219 Ų219135.5 Ų135.583%0.82678%0.775SS**  43.665.2124.4-159.2-170.9-165.4178.16.1117.7K680R678-K680 PolarHBondContact O-N 2.98Å
679G31.5Very low34.1Very low69 Ų69143.1 Ų143.171%0.71178%0.779SS**  trans-82.4105.1158.400000111.6T677 V681T677-G679 PolarHBondContact O-N 3.17Å; G679-V681 PolarHBondContact O-N 3.36Å; G679-V681 VanDerWaalsContact O-N 3.15Å
680K32.6Very low35Very low181 Ų181151.6 Ų151.679%0.78779%0.793SS**  trans-73.697.9165.8-77.5-175.8176-176.90108.6R678R678-K680 PolarHBondContact O-N 2.98Å
681V35Very low35.6Very low122 Ų122150.7 Ų150.774%0.73979%0.788SS**  trans-93.5117.5169.2-174.50000108.7G679 D683G679-V681 PolarHBondContact O-N 3.36Å; G679-V681 VanDerWaalsContact O-N 3.15Å; V681-D683 PolarHBondContact O-N 3.04Å
682T34.1Very low37.2Very low112 Ų112147.9 Ų147.969%0.68779%0.785SS**  trans-7991.4175.243.60000109.8E684T682-E684 PolarHBondContact O-N 3.44Å
683D39.4Very low37.8Very low139 Ų139148 Ų14874%0.74379%0.786SS**  trans-72.784.6165.5-86-17.8000109.7V681 L685V681-D683 PolarHBondContact O-N 3.04Å; D683-L685 PolarHBondContact O-N 3.1Å
684E34.7Very low38.2Very low171 Ų171146.9 Ų146.980%0.79978%0.781SS**  trans-66.763165.9-72.4-80.5150.900110.4T682 P686T682-E684 PolarHBondContact O-N 3.44Å; E684-P686 WeakPolarHBondContact O-CD 3.46Å
685L40.7Very low39Very low145 Ų145146.6 Ų146.676%0.75978%0.781SS**  trans-84.2119.5163.7-77.1177.7000108.6D683 G687D683-L685 PolarHBondContact O-N 3.1Å; L685-G687 PolarHBondContact O-N 3.24Å
686P40.6Very low39.6Very low117 Ų117148.4 Ų148.476%0.7679%0.785SS**  trans-56.9102.9-172.7-29.436.6000113E684 H688E684-P686 WeakPolarHBondContact O-CD 3.46Å; P686-H688 PolarHBondContact O-N 3.5Å
687G36.8Very low39.8Very low68 Ų68145 Ų14570%0.70178%0.781SS**  trans-59.7110174.400000109.6L685 R689L685-G687 PolarHBondContact O-N 3.24Å; G687-R689 PolarHBondContact O-N 3.5Å
688H40.6Very low40.4Very low180 Ų180145.1 Ų145.183%0.83378%0.784SS**  trans-52.2109.6174-71-64.9000109.2P686 R690P686-H688 PolarHBondContact O-N 3.5Å; H688-R690 VanDerWaalsContact C-N 3.35Å; H688-R690 PolarHBondContact O-N 2.9Å
689R43.1Very low40.9Very low239 Ų239141.7 Ų141.790%0.90278%0.782SS**  trans-55.895.9178.2-76.1179.9170.1175.8-4109.1G687 H691G687-R689 PolarHBondContact O-N 3.5Å; R689-H691 PolarHBondContact O-N 3.27Å
690R49.1Very low41.1Very low236 Ų236142.6 Ų142.689%0.89178%0.783SS**PPolyproline II helixtrans-69116.5167.3-66.1-174.2178.6-154-0.4106.2H688H688-R690 VanDerWaalsContact C-N 3.35Å; H688-R690 PolarHBondContact O-N 2.9Å
691H45.1Very low41.5Very low176 Ų176142.1 Ų142.182%0.81578%0.781SS**PPolyproline II helixtrans-54.2134.4173.3-68-92.6000109R689R689-H691 PolarHBondContact O-N 3.27Å
692P61.7Low41.6Very low112 Ų112144.4 Ų144.473%0.72778%0.783SS**PPolyproline II helixtrans-60.6142.5177.625.8-33.5000109.6
693P47.8Very low41.8Very low117 Ų117145.1 Ų145.176%0.7678%0.783SS**PPolyproline II helixtrans-62.6142.517826.8-33.8000110.3
694P40.6Very low41.7Very low114 Ų114145.7 Ų145.774%0.7478%0.783SS**PPolyproline II helixtrans-62.3149.3-18025.8-34.3000111.5
695P45.8Very low41.8Very low126 Ų126145.3 Ų145.382%0.81878%0.781SS**PPolyproline II helixtrans-63.4138.5-174.525.8-34.4000111.9S697P695-S697 PolarHBondContact O-N 2.86Å
696L40Very low41.5Very low175 Ų175148.3 Ų148.392%0.91678%0.783SS**PPolyproline II helixtrans-69.3118.1172.1-66.5169.3000108.9
697S38.1Very low41.3Very low106 Ų106148.5 Ų148.574%0.74179%0.785SS**PPolyproline II helixtrans-61.4148.8174.748.80000111.6P695 N699P695-S697 PolarHBondContact O-N 2.86Å; S697-N699 PolarHBondContact O-N 2.89Å
698P43.8Very low41.1Very low124 Ų124156 Ų15681%0.80579%0.792SS**PPolyproline II helixtrans-63.5136.9-164.6-22.734.3000113.4A700P698-A700 VanDerWaalsContact C-N 3.34Å; P698-A700 PolarHBondContact O-N 3.11Å
699N38.2Very low41Very low146 Ų146154.6 Ų154.678%0.78179%0.791SS**  trans-80.780.1-179.3-162.54.1000109.8S697 K701S697-N699 PolarHBondContact O-N 2.89Å; N699-K701 PolarHBondContact O-N 3.43Å
700A36.5Very low40.6Very low89 Ų89146.8 Ų146.874%0.73678%0.784SS**  trans-66.895.717600000110.1P698 E702P698-A700 VanDerWaalsContact C-N 3.34Å; P698-A700 PolarHBondContact O-N 3.11Å; A700-E702 PolarHBondContact O-N 3.27Å; A700-E702 VanDerWaalsContact O-N 3.17Å
701K40.4Very low39.9Very low170 Ų170141.5 Ų141.574%0.73978%0.778SS**  trans-76.491.8170.5-68.3-179.6177.4-177.80109.5N699N699-K701 PolarHBondContact O-N 3.43Å
702E37.9Very low39.4Very low170 Ų170139.6 Ų139.679%0.79478%0.779SS**  trans-96.8100.1157.2-73.2-176.2161.500108A700 M704A700-E702 PolarHBondContact O-N 3.27Å; A700-E702 VanDerWaalsContact O-N 3.17Å; E702-M704 VanDerWaalsContact C-N 3.32Å; E702-M704 PolarHBondContact O-N 3.39Å
703D37.9Very low38.1Very low127 Ų127139.6 Ų139.668%0.67978%0.782SS**  trans-67.289.4175.2-81.1-43.6000109.5H705D703-H705 VanDerWaalsContact C-N 3.28Å; D703-H705 PolarHBondContact O-N 2.79Å; D703-H705 PolarHBondContact O-ND1 2.78Å
704M37.4Very low37.1Very low151 Ų151145.6 Ų145.674%0.74479%0.789SS**  trans-61.787.8174-72.2-66.3-72.700110.6E702 Y706E702-M704 VanDerWaalsContact C-N 3.32Å; E702-M704 PolarHBondContact O-N 3.39Å; M704-Y706 PolarHBondContact O-N 2.89Å; M704-Y706 VanDerWaalsContact O-N 3.13Å
705H35.6Very low36.8Very low163 Ų163145.7 Ų145.776%0.75579%0.793SS**  trans-64.4106.4175.2-83.951000109.9D703D703-H705 VanDerWaalsContact C-N 3.28Å; D703-H705 PolarHBondContact O-N 2.79Å; D703-H705 PolarHBondContact O-ND1 2.78Å
706Y34.8Very low36.2Very low208 Ų208151.5 Ų151.582%0.81680%0.798SS**PPolyproline II helixtrans-77.3123.7163.3-81.8-83.7000109.4M704 R708M704-Y706 PolarHBondContact O-N 2.89Å; M704-Y706 VanDerWaalsContact O-N 3.13Å; Y706-R708 PolarHBondContact O-N 2.92Å
707P37.2Very low35.6Very low121 Ų121150.1 Ų150.179%0.78679%0.79SS**PPolyproline II helixtrans-63.8123.6-177.4-21.933000111.7
708R31.6Very low35.5Very low227 Ų227150.4 Ų150.486%0.85779%0.792SS**PPolyproline II helixtrans-71.3133.9146-72.3-174.8175.6-173.80.4106.9Y706Y706-R708 PolarHBondContact O-N 2.92Å
709D38Very low34.9Very low150 Ų150151.9 Ų151.980%0.80279%0.793SS**  trans157.161.8145.9-75.9-11.5000110.5
710G35.8Very low34.5Very low75 Ų75148.4 Ų148.477%0.77379%0.792SS**  trans-99.469.5165.400000110.1V712G710-V712 PolarHBondContact O-N 2.75Å
711T34.1Very low34.3Very low124 Ų124149.5 Ų149.576%0.76179%0.794SS**  trans-69.890.6-177490000111.9
712V34.8Very low34.1Very low137 Ų137151 Ų15183%0.8380%0.801SS**  trans-92.4104.4163.4-177.40000108.6G710 R714G710-V712 PolarHBondContact O-N 2.75Å; V712-R714 PolarHBondContact O-N 2.7Å
713S33.7Very low33.7Very low112 Ų112147.8 Ų147.878%0.78380%0.803SS**  trans-56.6105.7-178.6-55.30000112.2
714R26.9Very low33.4Very low243 Ų243146.5 Ų146.592%0.91781%0.81SS**PPolyproline II helixtrans-81.7123.5172-154.3174.3-163.6-122.53109.2V712V712-R714 PolarHBondContact O-N 2.7Å
715S34.6Very low33.3Very low116 Ų116145.2 Ų145.281%0.81181%0.811SS**PPolyproline II helixtrans-55.9149.5-175.6-60.30000113.5
716R32.1Very low33.1Very low247 Ų247143 Ų14393%0.93281%0.811SS**PPolyproline II helixtrans-63.8154.8-174.6-61.7-178.4-169.5168.34112.5
717I28.8Very low32.9Very low146 Ų146141.3 Ų141.375%0.74982%0.815SS**PPolyproline II helixtrans-71.6150.1-175.3-57.6151000110.6D719I717-D719 WeakPolarHBondContact CG2-OD1 3.26Å
718S35.4Very low32.7Very low113 Ų113141.3 Ų141.379%0.7981%0.813SS**  trans-116.2129.3147.565.80000108.8G720S718-G720 PolarHBondContact O-N 3.15Å
719D31.5Very low32.5Very low155 Ų155136.7 Ų136.783%0.82981%0.813SS**  trans-76.891.4-170.4-65.9-61.3000111.8I717I717-D719 WeakPolarHBondContact CG2-OD1 3.26Å
720G30.4Very low32.1Very low73 Ų73134.8 Ų134.875%0.75381%0.806SS**  trans-96.793.6172.700000111.8S718 K722S718-G720 PolarHBondContact O-N 3.15Å; G720-K722 PolarHBondContact O-N 2.86Å
721S32Very low31.7Very low111 Ų111142.7 Ų142.778%0.77681%0.813SS**  trans-64.4116.1-178.157.10000114
722K36Very low31.6Very low202 Ų202144.4 Ų144.488%0.87881%0.812SS**  trans-175.3123.4135.5-103.1162.5-173179.30111G720 A724G720-K722 PolarHBondContact O-N 2.86Å; K722-A724 PolarHBondContact O-N 2.91Å
723A29.9Very low31.4Very low102 Ų102142.2 Ų142.284%0.84380%0.803SS**  trans-68.3120.3177.900000111T725A723-T725 PolarHBondContact O-N 2.99Å
724A30.9Very low31.4Very low100 Ų100144.7 Ų144.783%0.82681%0.806SS**  trans-89100.3172.500000109.9K722K722-A724 PolarHBondContact O-N 2.91Å
725T35Very low31.6Very low124 Ų124143.3 Ų143.376%0.76180%0.801SS**  trans-66.1135.4174.8-27.70000110.1A723A723-T725 PolarHBondContact O-N 2.99Å
726P32Very low31.6Very low116 Ų116145.6 Ų145.675%0.75380%0.804SS**  trans-64.9136.8-173.323.4-34.5000113.7T728P726-T728 PolarHBondContact O-N 2.68Å
727L31Very low31.9Very low173 Ų173140.9 Ų140.991%0.90680%0.797SS**  trans-74.5105.5-177-64169.6000111.9
728T31.5Very low32.2Very low121 Ų121137.7 Ų137.774%0.74280%0.8SS**  trans-75.2138.8164.344.10000111.1P726 T730P726-T728 PolarHBondContact O-N 2.68Å; T728-T730 PolarHBondContact O-N 2.78Å; T728-T730 VanDerWaalsContact O-N 3.15Å
729P27.9Very low32.5Very low131 Ų131138.3 Ų138.385%0.85179%0.794SS**  trans-69.4111.4-175.1-18.632000112.9R731P729-R731 PolarHBondContact O-N 3.22Å
730T30.2Very low33.5Very low109 Ų109135.3 Ų135.367%0.66978%0.778SS**  trans-69.1114.8177.6-610000111.2T728 H732T728-T730 PolarHBondContact O-N 2.78Å; T728-T730 VanDerWaalsContact O-N 3.15Å; T730-H732 PolarHBondContact O-CD2 3.29Å; T730-H732 PolarHBondContact O-N 3.11Å
731R27.2Very low34.3Very low241 Ų241135.5 Ų135.591%0.90977%0.768SS**  trans-7492.7177.3-165-176.2-163.6-154.36.2110P729 S733P729-R731 PolarHBondContact O-N 3.22Å; R731-S733 PolarHBondContact O-N 2.97Å
732H31.7Very low35.5Very low160 Ų160136 Ų13674%0.74176%0.758SS**  trans-65.2101.1174.8-72.4-80.9000111T730 L734T730-H732 PolarHBondContact O-CD2 3.29Å; T730-H732 PolarHBondContact O-N 3.11Å; H732-L734 PolarHBondContact O-N 3.31Å
733S30.8Very low36.5Very low91 Ų91133.5 Ų133.564%0.63675%0.747SS**  trans-69.7112.7165.8580000109.2R731 R735R731-S733 PolarHBondContact O-N 2.97Å; S733-R735 PolarHBondContact O-N 3.36Å
734L32.8Very low37.7Very low165 Ų165136.4 Ų136.486%0.86474%0.737SS**  trans-61.5110.5163.8-86.674.6000107.7H732H732-L734 PolarHBondContact O-N 3.31Å
735R32Very low38.9Very low213 Ų213139.1 Ų139.180%0.80473%0.73SS**PPolyproline II helixtrans-77.5145.3167.6-64-175.9-168.9175.95108.2S733 L737S733-R735 PolarHBondContact O-N 3.36Å; R735-L737 PolarHBondContact O-N 2.95Å
736N34.1Very low39.9Very low165 Ų165142.3 Ų142.388%0.88273%0.728SS**PPolyproline II helixtrans-59.3121.3179.5-47.8-62.9000110.5
737L38.6Very low41Very low147 Ų147143.8 Ų143.877%0.7773%0.725SS**PPolyproline II helixtrans-95.2117.8153.4-83.287.5000107.3R735 D739R735-L737 PolarHBondContact O-N 2.95Å; L737-D739 PolarHBondContact O-N 2.85Å
738G34.4Very low42Very low79 Ų79141.8 Ų141.881%0.81471%0.711SS**  trans-78.893.8169.800000109.2D740G738-D740 PolarHBondContact O-N 3.46Å; G738-D740 VanDerWaalsContact O-N 3.07Å
739D41.7Very low43.3Very low126 Ų126142.8 Ų142.867%0.67471%0.705SS**  trans-72103.5179.8-83.8-32.7000111.8L737 S741 R744L737-D739 PolarHBondContact O-N 2.85Å; D739-S741 PolarHBondContact O-N 3.3Å; D739-R744 PolarHBondContact O-NH2 3Å
740D52.9Low44.7Very low92 Ų92140.6 Ų140.649%0.49269%0.689SS.*  trans-46.3123.2178.1-179.610.2000113.2G738 E742 K743G738-D740 PolarHBondContact O-N 3.46Å; G738-D740 VanDerWaalsContact O-N 3.07Å; D740-E742 PolarHBondContact O-N 2.74Å; D740-E742 PolarHBondContact OD1-N 3.02Å; D740-K743 PolarHBondContact O-N 2.86Å
741S47.2Very low45.5Very low78 Ų78141.6 Ų141.655%0.54568%0.684SS.*Hα-helixtrans-65.8-21.3-173.367.20000114.1D739 R744 K745D739-S741 PolarHBondContact O-N 3.3Å; S741-R744 PolarHBondContact O-N 3.37Å; S741-K745 PolarHBondContact O-N 3.33Å
742E58.7Low46.8Very low120 Ų120134.8 Ų134.856%0.56167%0.666SS**Hα-helixtrans-67.2-38.7179.1-72.4-136.9129.700113.1D740 R744 K745 R746D740-E742 PolarHBondContact O-N 2.74Å; D740-E742 PolarHBondContact OD1-N 3.02Å; E742-R744 PolarHBondContact O-N 3.08Å; E742-K745 PolarHBondContact O-N 2.82Å; E742-R746 PolarHBondContact O-N 2.89Å
743K56.2Low48Very low150 Ų150131.4 Ų131.465%0.65265%0.653SS**Hα-helixtrans-60.8-35.6178.7-70.6-175.5179177.80111.6D740 R746 Q747D740-K743 PolarHBondContact O-N 2.86Å; K743-R746 PolarHBondContact O-N 2.84Å; K743-Q747 WeakPolarHBondContact O-CG 3.5Å; K743-Q747 PolarHBondContact O-N 3.34Å
744R54.1Low49.2Very low163 Ų163133.4 Ų133.462%0.61565%0.652SS**Hα-helixtrans-67.1-41.4177.4-133.4176.4-61.9161.24.9112.1D739 S741 E742 Q748D739-R744 PolarHBondContact O-NH2 3Å; S741-R744 PolarHBondContact O-N 3.37Å; E742-R744 PolarHBondContact O-N 3.08Å; R744-Q748 PolarHBondContact O-N 2.79Å; R744-Q748 VanDerWaalsContact O-N 3.13Å
745K56.5Low49.9Very low157 Ų157133 Ų13368%0.68364%0.644SS**Hα-helixtrans-65.3-39.4174.2-77.6-176.9175.7176.10112.8S741 E742 K749S741-K745 PolarHBondContact O-N 3.33Å; E742-K745 PolarHBondContact O-N 2.82Å; K745-K749 PolarHBondContact O-N 3.1Å
746R57.3Low50.8Low192 Ų192133.1 Ų133.173%0.72564%0.644SS**Hα-helixtrans-65.5-44.3176.7-75.2-173.2173-160.7-1.6112.1E742 K743 Q748 K749 V750E742-R746 PolarHBondContact O-N 2.89Å; K743-R746 PolarHBondContact O-N 2.84Å; R746-Q748 PolarHBondContact O-N 2.68Å; R746-K749 PolarHBondContact O-N 3.46Å; R746-V750 PolarHBondContact O-N 3.29Å
747Q53.8Low51.5Low147 Ų147131.5 Ų131.569%0.68764%0.636SS**Hα-helixtrans-63.3-39.8177.1-75.2-178-12.200112.7K743 K749 V750 F751K743-Q747 WeakPolarHBondContact O-CG 3.5Å; K743-Q747 PolarHBondContact O-N 3.34Å; Q747-K749 VanDerWaalsContact C-N 3.33Å; Q747-K749 PolarHBondContact O-N 2.96Å; Q747-V750 PolarHBondContact O-N 3.4Å; Q747-F751 PolarHBondContact O-N 2.71Å
748Q52.8Low51.8Low130 Ų130128.3 Ų128.361%0.60763%0.631SS**Hα-helixtrans-62-40.7176.5-171.8169.76.200112.2R744 R746 V750 F751 D752R744-Q748 PolarHBondContact O-N 2.79Å; R744-Q748 VanDerWaalsContact O-N 3.13Å; R746-Q748 PolarHBondContact O-N 2.68Å; Q748-V750 PolarHBondContact O-N 2.74Å; Q748-F751 WeakPolarHBondContact O-CB 3.46Å; Q748-F751 PolarHBondContact O-N 3.43Å; Q748-D752 PolarHBondContact O-N 2.94Å; Q748-D752 VanDerWaalsContact O-N 3.15Å
749K58.1Low51.8Low143 Ų143132.1 Ų132.162%0.62263%0.632SS**Hα-helixtrans-70.7-31.9-178.3-164.8161.8-175.2175.20113.8K745 R746 Q747 F751 D752 D753K745-K749 PolarHBondContact O-N 3.1Å; R746-K749 PolarHBondContact O-N 3.46Å; Q747-K749 VanDerWaalsContact C-N 3.33Å; Q747-K749 PolarHBondContact O-N 2.96Å; K749-F751 VanDerWaalsContact C-N 3.32Å; K749-D752 PolarHBondContact O-N 3.01Å; K749-D753 PolarHBondContact O-N 2.73Å
750V57.5Low51.4Low85 Ų85129.1 Ų129.152%0.51563%0.632SS.*Hα-helixtrans-64.6-39.6171.4176.50000110.7R746 Q747 Q748 D752 D753 E754R746-V750 PolarHBondContact O-N 3.29Å; Q747-V750 PolarHBondContact O-N 3.4Å; Q748-V750 PolarHBondContact O-N 2.74Å; V750-D752 VanDerWaalsContact C-N 3.35Å; V750-D752 PolarHBondContact O-N 2.76Å; V750-D753 PolarHBondContact O-N 3.21Å; V750-E754 PolarHBondContact O-N 2.82Å
751F47.8Very low50.5Low130 Ų130133.4 Ų133.457%0.5765%0.649SS**Hα-helixtrans-64.3-37.4178.5-151.8-92.8000112.7Q747 Q748 K749 F755Q747-F751 PolarHBondContact O-N 2.71Å; Q748-F751 WeakPolarHBondContact O-CB 3.46Å; Q748-F751 PolarHBondContact O-N 3.43Å; K749-F751 VanDerWaalsContact C-N 3.32Å; F751-F755 HydrophobicContact CD1-CD2 4.24Å; F751-F755 HydrophobicContact CD1-CE2 4.31Å; F751-F755 HydrophobicContact CE1-CD2 4.07Å; F751-F755 AromaticContact CE1-CE2 3.67Å; F751-F755 HydrophobicContact CE1-CE2 3.67Å; F751-F755 HydrophobicContact CZ-CE2 4.16Å; F751-F755 PolarHBondContact O-N 3.05Å
752D53.2Low50.2Low97 Ų97135.3 Ų135.352%0.51966%0.659SS.*Hα-helixtrans-70.1-34176.2-68-31.2000112.7Q748 K749 V750Q748-D752 PolarHBondContact O-N 2.94Å; Q748-D752 VanDerWaalsContact O-N 3.15Å; K749-D752 PolarHBondContact O-N 3.01Å; V750-D752 VanDerWaalsContact C-N 3.35Å; V750-D752 PolarHBondContact O-N 2.76Å
753D58.4Low49Very low90 Ų90137.4 Ų137.448%0.48167%0.671SS.*Hα-helixtrans-77.4-34178.5-77.2-26.5000112.6K749 V750 R756 N757K749-D753 PolarHBondContact O-N 2.73Å; V750-D753 PolarHBondContact O-N 3.21Å; D753-R756 PolarHBondContact O-N 2.69Å; D753-N757 PolarHBondContact O-ND2 2.82Å
754E55.3Low48.1Very low132 Ų132135.9 Ų135.962%0.61768%0.676SS**Hα-helixtrans-63.6-39.6174.2-77.3-175.8165.300112.1V750 R756 N757V750-E754 PolarHBondContact O-N 2.82Å; E754-R756 VanDerWaalsContact C-N 3.27Å; E754-R756 PolarHBondContact O-N 2.76Å; E754-N757 PolarHBondContact O-N 2.81Å
755F48.1Very low47.3Very low156 Ų156136 Ų13668%0.68469%0.688SS**Hα-helixtrans-66.3-22.6178.2-101.1-86.4000114.4F751F751-F755 HydrophobicContact CD1-CD2 4.24Å; F751-F755 HydrophobicContact CD1-CE2 4.31Å; F751-F755 HydrophobicContact CE1-CD2 4.07Å; F751-F755 AromaticContact CE1-CE2 3.67Å; F751-F755 HydrophobicContact CE1-CE2 3.67Å; F751-F755 HydrophobicContact CZ-CE2 4.16Å; F751-F755 PolarHBondContact O-N 3.05Å
756R49.7Very low46.3Very low216 Ų216134.2 Ų134.282%0.81569%0.686SS**Hα-helixtrans-83.2-23.1177.7-87-167.1172.7-123.60.2114.4D753 E754D753-R756 PolarHBondContact O-N 2.69Å; E754-R756 VanDerWaalsContact C-N 3.27Å; E754-R756 PolarHBondContact O-N 2.76Å
757N49.7Very low45.7Very low131 Ų131130.8 Ų130.870%0.70169%0.689SS**Hα-helixtrans-95.1-3-171.8-67.1-40.4000114.2D753 E754 N759D753-N757 PolarHBondContact O-ND2 2.82Å; E754-N757 PolarHBondContact O-N 2.81Å; N757-N759 PolarHBondContact O-N 2.8Å
758A43.7Very low44.8Very low81 Ų81133.9 Ų133.967%0.66969%0.694SS**THydrogen-bonded Turntrans-72.7-1.9-176.100000116.1
759N34.7Very low44Very low158 Ų158137 Ų13785%0.84571%0.706SS**THydrogen-bonded Turntrans-109.626-177.1-66.7-22.2000113.6N757N757-N759 PolarHBondContact O-N 2.8Å
760G33.7Very low42.9Very low64 Ų64135.9 Ų135.966%0.6671%0.713SS**PPolyproline II helixtrans-83.3133.1174.800000113.1
761E34.8Very low41.7Very low182 Ų182139.3 Ų139.385%0.8573%0.728SS**PPolyproline II helixtrans-52.1145.2-177-75.9-89.8131.300115.1
762P39.9Very low40.9Very low117 Ų117138.3 Ų138.376%0.7673%0.733SS**PPolyproline II helixtrans-79.4121.1-176.431.5-34.3000113.4
763M33.2Very low39.7Very low165 Ų165142.7 Ų142.781%0.81375%0.75SS**PPolyproline II helixtrans-78.9143.9175.6-74.1-72.2-70.200112.8
764P36.8Very low38.3Very low118 Ų118145.7 Ų145.777%0.76676%0.76SS**PPolyproline II helixtrans-76.4143.2-172.429.8-35.6000114.3
765L37.8Very low37.1Very low164 Ų164146.9 Ų146.986%0.85977%0.77SS**PPolyproline II helixtrans-78.8136.1-179.1-83.868000113
766D36.9Very low36.3Very low121 Ų121148.6 Ų148.665%0.64777%0.773SS**PPolyproline II helixtrans-80.6121.9169.6-179.2-2.2000111.2R768D766-R768 VanDerWaalsContact C-N 3.27Å; D766-R768 PolarHBondContact O-N 2.89Å; D766-R768 PolarHBondContact OD1-N 2.89Å
767P43Very low35.3Very low120 Ų120140.9 Ų140.978%0.77976%0.761SS**  trans-72-0.4-176.2-20.133.7000117K769P767-K769 PolarHBondContact O-N 3.28Å
768R36.5Very low34.5Very low212 Ų212142.2 Ų142.280%0.877%0.767SS**  trans-90.520.9-164.6-73-164.9174.285.5-2.6118.1D766D766-R768 VanDerWaalsContact C-N 3.27Å; D766-R768 PolarHBondContact O-N 2.89Å; D766-R768 PolarHBondContact OD1-N 2.89Å
769K35.5Very low33.9Very low195 Ų195146 Ų14685%0.84878%0.775SS**SBendtrans-129.9126.3172-71.2-175.5179.6176.30112.8P767P767-K769 PolarHBondContact O-N 3.28Å
770P34.6Very low33.9Very low119 Ų119143.7 Ų143.777%0.77377%0.768SS**  trans-69.9146.1179.728.4-33.9000112.2T772P770-T772 PolarHBondContact O-N 3.36Å; P770-T772 VanDerWaalsContact O-N 3.08Å
771N31.8Very low33.8Very low157 Ų157148 Ų14884%0.8477%0.771SS**  trans-7493.1-169.6-171.4-0.6000111.9
772T32.1Very low33.9Very low110 Ų110145.6 Ų145.668%0.67577%0.771SS**  trans-81.4124.2172.7-49.40000109.3P770 F774P770-T772 PolarHBondContact O-N 3.36Å; P770-T772 VanDerWaalsContact O-N 3.08Å; T772-F774 PolarHBondContact O-N 3.48Å
773Q27.8Very low34.1Very low188 Ų188145.9 Ų145.988%0.87977%0.767SS**  trans-56.3104.5-175.3-67173.4-39.500112.8
774F29.4Very low34.8Very low153 Ų153146.9 Ų146.967%0.67177%0.769SS**  trans-113.289.3159.5-88.1-82.8000109.6T772 Y776T772-F774 PolarHBondContact O-N 3.48Å; F774-Y776 HydrophobicContact CB-CD2 3.97Å; F774-Y776 HydrophobicContact CB-CE2 3.88Å; F774-Y776 AromaticContact CD1-CE2 3.88Å; F774-Y776 HydrophobicContact CD1-CE2 3.88Å; F774-Y776 HydrophobicContact CG-CE2 4.15Å; F774-Y776 PolarHBondContact O-N 3.23Å
775N29.2Very low35.3Very low157 Ų157149 Ų14984%0.8476%0.763SS**  trans-73.480.9168.4-173.510000108.9G777N775-G777 PolarHBondContact O-N 2.86Å
776Y31.2Very low36.2Very low192 Ų192146.1 Ų146.175%0.75375%0.749SS**  trans-69.189.8166-83.1-81.1000108.5F774 I778F774-Y776 HydrophobicContact CB-CD2 3.97Å; F774-Y776 HydrophobicContact CB-CE2 3.88Å; F774-Y776 AromaticContact CD1-CE2 3.88Å; F774-Y776 HydrophobicContact CD1-CE2 3.88Å; F774-Y776 HydrophobicContact CG-CE2 4.15Å; F774-Y776 PolarHBondContact O-N 3.23Å; Y776-I778 PolarHBondContact O-N 2.87Å; Y776-I778 VanDerWaalsContact O-N 3.15Å
777G29Very low36.7Very low54 Ų54149 Ų14956%0.55775%0.752SS**  trans-54.7119.5165.700000109N775 L779N775-G777 PolarHBondContact O-N 2.86Å; G777-L779 PolarHBondContact O-N 3.38Å
778I32Very low37.1Very low159 Ų159150.1 Ų150.182%0.81575%0.75SS**  trans-53.7111.9164.2-65.1163.1000106.1Y776 P780Y776-I778 PolarHBondContact O-N 2.87Å; Y776-I778 VanDerWaalsContact O-N 3.15Å; I778-P780 WeakPolarHBondContact O-CD 3.46Å
779L31.2Very low38Very low161 Ų161142.7 Ų142.784%0.84373%0.734SS**  trans-72.2109.1170.1-73168.5000107.6G777G777-L779 PolarHBondContact O-N 3.38Å
780P36.4Very low38.9Very low109 Ų109138.2 Ų138.271%0.70872%0.716SS**  trans-72.9147.2167.7-4.926.3000107.5I778I778-P780 WeakPolarHBondContact O-CD 3.46Å
781H30.7Very low39.5Very low154 Ų154135.9 Ų135.971%0.71371%0.707SS**  trans-56.9148.5-178.5-81.1-113.4000112.4D783H781-D783 PolarHBondContact O-N 3Å
782P36.8Very low40.6Very low132 Ų132135.4 Ų135.486%0.85770%0.7SS**  trans-78.156.7177.635.8-37.2000111.2
783D44.3Very low41.8Very low124 Ų124138.3 Ų138.366%0.66370%0.703SS**  trans-100.9143.1176.2-70.8-43.4000110.9H781H781-D783 PolarHBondContact O-N 3Å
784E48.5Very low42.6Very low186 Ų186137.4 Ų137.487%0.86970%0.699SS**  trans68.886.1172.2-56.7-171.9-167.100116.8N786E784-N786 PolarHBondContact O-N 3.04Å
785Y45.7Very low43.1Very low162 Ų162137.5 Ų137.564%0.63570%0.699SS**  trans-53.899.4161.6-154.1-95.8000110.4Y787Y785-Y787 HydrophobicContact CD1-CE1 4.47Å; Y785-Y787 VanDerWaalsContact O-CD2 3.23Å; Y785-Y787 WeakPolarHBondContact O-CD2 3.39Å; Y785-Y787 PolarHBondContact O-N 3.32Å
786N58.2Low43.8Very low104 Ų104135.4 Ų135.456%0.55669%0.694SS**  trans-80.389.9-169.5-169.9-7.5000111.4E784 L788 A789E784-N786 PolarHBondContact O-N 3.04Å; N786-L788 PolarHBondContact O-N 2.73Å; N786-L788 PolarHBondContact OD1-N 3.1Å; N786-A789 WeakPolarHBondContact O-CB 3.5Å; N786-A789 PolarHBondContact O-N 2.94Å
787Y47.1Very low44.4Very low181 Ų181130.8 Ų130.871%0.7169%0.69SS**Hα-helixtrans-54-16.6-178.8-72.9-86.2000115.2Y785Y785-Y787 HydrophobicContact CD1-CE1 4.47Å; Y785-Y787 VanDerWaalsContact O-CD2 3.23Å; Y785-Y787 WeakPolarHBondContact O-CD2 3.39Å; Y785-Y787 PolarHBondContact O-N 3.32Å
788L51.5Low44.8Very low143 Ų143134 Ų13475%0.74969%0.693SS**Hα-helixtrans-73.8-28.4173.3-64.1174.9000112.7N786N786-L788 PolarHBondContact O-N 2.73Å; N786-L788 PolarHBondContact OD1-N 3.1Å
789A54.8Low44.9Very low57 Ų57132.3 Ų132.347%0.47169%0.686SS.*Hα-helixtrans-77.6-25.8-177.500000113.7N786N786-A789 WeakPolarHBondContact O-CB 3.5Å; N786-A789 PolarHBondContact O-N 2.94Å
790E54.7Low45.2Very low100 Ų100133 Ų13347%0.46768%0.682SS.*Hα-helixtrans-81.9-30.4172.2-73.6-158.1131.900112.9E792 K793E790-E792 PolarHBondContact O-N 3.15Å; E790-K793 PolarHBondContact O-N 2.94Å; E790-K793 VanDerWaalsContact O-N 3.1Å
791A47.4Very low44.9Very low71 Ų71132.5 Ų132.559%0.58769%0.688SS**Hα-helixtrans-60.9-26.5178.100000112.9
792E54.2Low45Very low147 Ų147129 Ų12969%0.68768%0.68SS**THydrogen-bonded Turntrans-88.2-19.6177.9-150.6158.7-138.200113.6E790 Q794E790-E792 PolarHBondContact O-N 3.15Å; E792-Q794 VanDerWaalsContact C-N 3.26Å; E792-Q794 PolarHBondContact O-N 3.24Å
793K56.8Low45Very low171 Ų171132 Ų13274%0.74368%0.683SS**THydrogen-bonded Turntrans-76.4-9.4173.5-68.6-178.2-179.8-179.90113.9E790 K795E790-K793 PolarHBondContact O-N 2.94Å; E790-K793 VanDerWaalsContact O-N 3.1Å; K793-K795 VanDerWaalsContact C-N 3.32Å
794Q45.3Very low44.6Very low169 Ų169131.8 Ų131.879%0.7968%0.681SS**THydrogen-bonded Turntrans-93.425.6175.9-76.2-76.30.900113.3E792E792-Q794 VanDerWaalsContact C-N 3.26Å; E792-Q794 PolarHBondContact O-N 3.24Å
795K40.7Very low43.8Very low154 Ų154127.7 Ų127.767%0.6767%0.673SS**SBendtrans-102.7121.6160.7-72.8179.4-177.5165.80108.5K793 S797K793-K795 VanDerWaalsContact C-N 3.32Å; K795-S797 PolarHBondContact O-N 2.82Å
796P43.7Very low43.3Very low114 Ų114129.1 Ų129.174%0.7468%0.679SS**  trans-63.1124.7175.625.6-32.5000109.6I798P796-I798 PolarHBondContact O-N 3.18Å; P796-I798 VanDerWaalsContact O-N 3.12Å
797S43.1Very low42.1Very low94 Ų94130.6 Ų130.666%0.65769%0.687SS**  trans-64.5109.2161.3-169.10000106.9K795 D799K795-S797 PolarHBondContact O-N 2.82Å; S797-D799 WeakPolarHBondContact CB-OD1 3.34Å; S797-D799 PolarHBondContact O-N 2.98Å; S797-D799 PolarHBondContact OG-OD1 2.97Å
798I37.1Very low41.4Very low121 Ų121126.9 Ų126.962%0.62169%0.687SS**  trans-86.4103.7161.5-70.8177.5000105.1P796 F800P796-I798 PolarHBondContact O-N 3.18Å; P796-I798 VanDerWaalsContact O-N 3.12Å; I798-F800 VanDerWaalsContact C-N 3.32Å; I798-F800 HydrophobicContact CB-CD2 4.43Å; I798-F800 HydrophobicContact CB-CE2 4.3Å; I798-F800 HydrophobicContact CG2-CD2 3.66Å; I798-F800 HydrophobicContact CG2-CE2 3.47Å; I798-F800 VanDerWaalsContact CG2-CE2 3.47Å; I798-F800 HydrophobicContact CG2-CG 4.37Å; I798-F800 HydrophobicContact CG2-CZ 4.04Å; I798-F800 PolarHBondContact O-N 3.32Å
799D34.6Very low40.7Very low124 Ų124125.1 Ų125.166%0.66369%0.687SS**  trans-70.989.6179.4-58.2-27.7000108.7S797 A801S797-D799 WeakPolarHBondContact CB-OD1 3.34Å; S797-D799 PolarHBondContact O-N 2.98Å; S797-D799 PolarHBondContact OG-OD1 2.97Å; D799-A801 PolarHBondContact O-N 3.01Å
800F36.9Very low39.7Very low175 Ų175130.3 Ų130.377%0.76871%0.706SS**  trans-73.163.1171-84.7-76.5000111I798I798-F800 VanDerWaalsContact C-N 3.32Å; I798-F800 HydrophobicContact CB-CD2 4.43Å; I798-F800 HydrophobicContact CB-CE2 4.3Å; I798-F800 HydrophobicContact CG2-CD2 3.66Å; I798-F800 HydrophobicContact CG2-CE2 3.47Å; I798-F800 VanDerWaalsContact CG2-CE2 3.47Å; I798-F800 HydrophobicContact CG2-CG 4.37Å; I798-F800 HydrophobicContact CG2-CZ 4.04Å; I798-F800 PolarHBondContact O-N 3.32Å
801A31.4Very low38.6Very low100 Ų100136.4 Ų136.483%0.82673%0.726SS**  trans-11343.8161.400000109.4D799D799-A801 PolarHBondContact O-N 3.01Å
802S32.6Very low37.8Very low79 Ų79136.1 Ų136.155%0.55273%0.73SS**  trans-120.2106.5171.8171.10000107.3L804S802-L804 PolarHBondContact O-N 2.7Å
803E35.5Very low36.8Very low197 Ų197139.2 Ų139.292%0.92174%0.741SS**  trans-65.579.9177.8-63.1177.1173.100110.4S805E803-S805 VanDerWaalsContact C-N 3.28Å; E803-S805 PolarHBondContact O-N 2.69Å
804L37Very low35.8Very low118 Ų118137.8 Ų137.862%0.61875%0.746SS**  trans-72.193167.6-71.3-179.8000108.1S802 Y806S802-L804 PolarHBondContact O-N 2.7Å; L804-Y806 HydrophobicContact CB-CD2 4.28Å; L804-Y806 HydrophobicContact CB-CE2 4.25Å; L804-Y806 PolarHBondContact O-N 3.34Å
805S31.6Very low35.1Very low101 Ų101135.1 Ų135.171%0.70675%0.747SS**  trans-47.797.2164.5-175.90000110E803 D807E803-S805 VanDerWaalsContact C-N 3.28Å; E803-S805 PolarHBondContact O-N 2.69Å; S805-D807 PolarHBondContact O-N 3.36Å
806Y36Very low34.7Very low191 Ų191136.5 Ų136.575%0.74976%0.756SS**  trans-90.680.9167.4-94.4-85.8000108.4L804 S808L804-Y806 HydrophobicContact CB-CD2 4.28Å; L804-Y806 HydrophobicContact CB-CE2 4.25Å; L804-Y806 PolarHBondContact O-N 3.34Å; Y806-S808 PolarHBondContact O-N 3.01Å; Y806-S808 PolarHBondContact O-OG 3.44Å
807D32.1Very low33.9Very low136 Ų136134.5 Ų134.573%0.72776%0.756SS**  trans-54.986.8161.9-104-37.4000109.1S805 S809S805-D807 PolarHBondContact O-N 3.36Å; D807-S809 PolarHBondContact O-N 2.8Å; D807-S809 PolarHBondContact O-OG 2.81Å
808S33.1Very low33.4Very low103 Ų103135.5 Ų135.572%0.7276%0.762SS**  trans-80.953.3-175.2-62.20000110.4Y806 L810Y806-S808 PolarHBondContact O-N 3.01Å; Y806-S808 PolarHBondContact O-OG 3.44Å; S808-L810 VanDerWaalsContact C-N 3.27Å; S808-L810 PolarHBondContact O-N 3.11Å
809S35.7Very low33.3Very low105 Ų105135.4 Ų135.473%0.73477%0.771SS**THydrogen-bonded Turntrans-80-4-176.756.70000113.8D807D807-S809 PolarHBondContact O-N 2.8Å; D807-S809 PolarHBondContact O-OG 2.81Å
810L34.3Very low33.1Very low166 Ų166140.6 Ų140.687%0.86978%0.782SS**THydrogen-bonded Turntrans-98.813.4-174.1-151.968.8000115.3S808S808-L810 VanDerWaalsContact C-N 3.27Å; S808-L810 PolarHBondContact O-N 3.11Å
811Y31.6Very low32.9Very low229 Ų229141.6 Ų141.690%0.89879%0.785SS**SBendtrans-101.694.3162.8-113.7-95.8000110.9K813Y811-K813 PolarHBondContact O-N 2.93Å; Y811-K813 VanDerWaalsContact O-N 3.16Å
812G30.2Very low32.9Very low64 Ų64145.2 Ų145.266%0.6679%0.785SS**  trans-60.6112.9179.800000112.5T814G812-T814 PolarHBondContact O-N 3.03Å; G812-T814 VanDerWaalsContact O-N 3.14Å
813K33.5Very low33.2Very low212 Ų212146.3 Ų146.392%0.92279%0.79SS**  trans-15.7102.8158.7-58.3169.2-176.21750114.2Y811Y811-K813 PolarHBondContact O-N 2.93Å; Y811-K813 VanDerWaalsContact O-N 3.16Å
814T36.1Very low33.4Very low141 Ų141142.5 Ų142.587%0.86578%0.783SS**  trans-95135151.951.40000109G812G812-T814 PolarHBondContact O-N 3.03Å; G812-T814 VanDerWaalsContact O-N 3.14Å
815S29.8Very low33.3Very low113 Ų113144.9 Ų144.979%0.7980%0.795SS**  trans-72.8138.3-165.753.60000114
816Q32.5Very low33.6Very low184 Ų184147.6 Ų147.686%0.8679%0.794SS**  trans29.6115132.2-65.3-68.4-26.300118.2
817G27.3Very low33.4Very low72 Ų72145.6 Ų145.674%0.74279%0.791SS**  trans74.285133.400000118.6
818S33.8Very low33.5Very low114 Ų114148.2 Ų148.280%0.79779%0.792SS**  trans-134.285.6149.6172.10000110.4R820S818-R820 VanDerWaalsContact C-N 3.25Å; S818-R820 PolarHBondContact O-N 3.01Å
819C33.3Very low33.6Very low119 Ų119149 Ų14980%0.80479%0.788SS**  trans-68.973.4179.1-55.40000111.8K821C819-K821 VanDerWaalsContact C-N 3.33Å; C819-K821 PolarHBondContact O-N 3.22Å
820R31Very low33.7Very low234 Ų234153.3 Ų153.388%0.88379%0.794SS**  trans-7589.8174.8-162.7169.4-172.6162.62.4109.7S818 Q822S818-R820 VanDerWaalsContact C-N 3.25Å; S818-R820 PolarHBondContact O-N 3.01Å; R820-Q822 PolarHBondContact O-N 3.46Å; R820-Q822 VanDerWaalsContact O-N 3.12Å
821K33.8Very low33.6Very low195 Ų195156 Ų15685%0.84879%0.794SS**  trans-38.8109.9179.2-60.4175.8-179178.30112C819C819-K821 VanDerWaalsContact C-N 3.33Å; C819-K821 PolarHBondContact O-N 3.22Å
822Q30.8Very low33.8Very low176 Ų176153.4 Ų153.482%0.82279%0.787SS**PPolyproline II helixtrans-71127.6158.5-73.3-72.8-6.300107.6R820R820-Q822 PolarHBondContact O-N 3.46Å; R820-Q822 VanDerWaalsContact O-N 3.12Å
823P38.6Very low34.1Very low102 Ų102156.3 Ų156.366%0.66279%0.787SS**PPolyproline II helixtrans-68.5150.3-178.927.2-33.3000111.4I825P823-I825 PolarHBondContact O-N 3.16Å
824P39.9Very low34.2Very low118 Ų118156.1 Ų156.177%0.76679%0.787SS**PPolyproline II helixtrans-63.8136.6-171.8-23.234.2000113.8K826P824-K826 PolarHBondContact O-N 3.34Å
825I34.7Very low34.4Very low168 Ų168158.6 Ų158.686%0.86279%0.786SS**  trans-64.5102.7171.8-61.6167.9000108.3P823 H827P823-I825 PolarHBondContact O-N 3.16Å; I825-H827 PolarHBondContact O-N 3.25Å
826K36.9Very low35.2Very low157 Ų157157.7 Ų157.768%0.68378%0.779SS**  trans-83.3106.4171.9-70.4-170.9178.2-176.20109.6P824 Y828P824-K826 PolarHBondContact O-N 3.34Å; K826-Y828 HydrophobicContact CB-CD2 3.96Å; K826-Y828 HydrophobicContact CB-CE2 3.86Å; K826-Y828 HydrophobicContact CD-CE2 4Å; K826-Y828 PolarHBondContact O-N 3.13Å
827H32Very low35.8Very low149 Ų149156.4 Ų156.469%0.6978%0.778SS**  trans-62.6111.6167.7-144.3-91.2000108.5I825 D829I825-H827 PolarHBondContact O-N 3.25Å; H827-D829 IonicContact CE1-OD1 2.8Å; H827-D829 PolarHBondContact CE1-OD1 3.11Å; H827-D829 IonicContact CE1-OD2 2.8Å; H827-D829 PolarHBondContact CE1-OD2 3.04Å; H827-D829 IonicContact CG-OD2 2.7Å; H827-D829 IonicContact ND1-OD1 3.12Å; H827-D829 IonicContact ND1-OD2 2.79Å; H827-D829 PolarHBondContact ND1-OD2 3.5Å
828Y35.4Very low36.6Very low191 Ų191161.6 Ų161.675%0.74978%0.78SS**  trans-117.986.1169.5-86.6-73.5000109.2K826 K830K826-Y828 HydrophobicContact CB-CD2 3.96Å; K826-Y828 HydrophobicContact CB-CE2 3.86Å; K826-Y828 HydrophobicContact CD-CE2 4Å; K826-Y828 PolarHBondContact O-N 3.13Å; Y828-K830 PolarHBondContact O-N 3Å; Y828-K830 VanDerWaalsContact O-N 3.13Å
829D34Very low37Very low121 Ų121161.9 Ų161.965%0.64778%0.779SS**  trans-66.2106.3161.3-60.1-68.3000108.7H827H827-D829 IonicContact CE1-OD1 2.8Å; H827-D829 PolarHBondContact CE1-OD1 3.11Å; H827-D829 IonicContact CE1-OD2 2.8Å; H827-D829 PolarHBondContact CE1-OD2 3.04Å; H827-D829 IonicContact CG-OD2 2.7Å; H827-D829 IonicContact ND1-OD1 3.12Å; H827-D829 IonicContact ND1-OD2 2.79Å; H827-D829 PolarHBondContact ND1-OD2 3.5Å
830K37.5Very low37.5Very low195 Ų195165.2 Ų165.285%0.84878%0.783SS**  trans-156.2108.3155.3-109.5157.5-165.8-176.30110Y828Y828-K830 PolarHBondContact O-N 3Å; Y828-K830 VanDerWaalsContact O-N 3.13Å
831Y32Very low38Very low222 Ų222165.5 Ų165.587%0.87178%0.784SS**  trans-36.1140.9164.1-61-101.2000112.4
832K36.3Very low38.2Very low174 Ų174164.6 Ų164.676%0.75778%0.782SS**  -169119.8117.4-97.6-67168.7-170.10113.3
833D37.6Very low39.7Very low125 Ų125161.5 Ų161.567%0.66878%0.777SS**  trans44.2105.9146.2-53.1-18000120.2K835D833-K835 PolarHBondContact O-N 2.78Å
834K34.2Very low40.4Very low208 Ų208162.2 Ų162.290%0.90478%0.782SS**  trans-60.5113.3168.7-59.6179.5-178.8-179.40111.2
835K40.6Very low40.6Very low194 Ų194161.9 Ų161.984%0.84378%0.78SS**  trans-91.5105.6146.3-73-169.1178.9-178.80107.8D833 D837D833-K835 PolarHBondContact O-N 2.78Å; K835-D837 PolarHBondContact O-N 3.11Å
836S46.9Very low41Very low93 Ų93160 Ų16065%0.6578%0.778SS**  trans-76.7107.5171.454.30000108.8K838S836-K838 PolarHBondContact O-N 3.19Å
837D45Very low41.4Very low158 Ų158160.9 Ų160.985%0.84579%0.785SS**  trans-60.2102.3171.5-68.2-42.3000109.4K835 P839K835-D837 PolarHBondContact O-N 3.11Å; D837-P839 WeakPolarHBondContact O-CD 3.19Å
838K43.5Very low41.9Very low181 Ų181159 Ų15979%0.78779%0.786SS**  trans-71.1121.9176.4-80.2175.2175.8171.60107.8S836 H840S836-K838 PolarHBondContact O-N 3.19Å; K838-H840 PolarHBondContact O-N 2.82Å
839P43.3Very low42.5Very low119 Ų119156.6 Ų156.677%0.77379%0.785SS**  trans-61.8135.4178.425.4-33.7000109.9D837 R841D837-P839 WeakPolarHBondContact O-CD 3.19Å; P839-R841 PolarHBondContact O-N 2.87Å
840H44.2Very low42.9Very low190 Ų190158.2 Ų158.288%0.8879%0.793SS**  trans-54.4103.5179.9-72-84.8000111.2K838K838-H840 PolarHBondContact O-N 2.82Å
841R40.4Very low43.1Very low240 Ų240156 Ų15691%0.90679%0.786SS**PPolyproline II helixtrans-76.5125.8158.1-85.9-172.5169.4-166.6-2.7107.8P839P839-R841 PolarHBondContact O-N 2.87Å
842H39.1Very low43.2Very low176 Ų176151.8 Ų151.882%0.81578%0.778SS**PPolyproline II helixtrans-55.3139.5168.7-69.5-83.6000109.9
843P61.3Low42.9Very low111 Ų111153 Ų15372%0.72179%0.787SS**PPolyproline II helixtrans-63.7142.9-175.425.7-34.1000111
844P53.5Low43Very low116 Ų116153.8 Ų153.875%0.75380%0.796SS**PPolyproline II helixtrans-63.2148.7173.828-34000110.6
845P44.1Very low42.9Very low111 Ų111153 Ų15372%0.72179%0.793SS**PPolyproline II helixtrans-63.2152.4-179.626.2-34.3000111.8Q847P845-Q847 PolarHBondContact O-N 2.99Å
846P42.5Very low42.6Very low129 Ų129154.9 Ų154.984%0.83880%0.795SS**PPolyproline II helixtrans-60.3132.2-173.1-2233.1000112.2
847Q46.3Very low42Very low175 Ų175157 Ų15782%0.81880%0.798SS**PPolyproline II helixtrans-78.3146.3168.2-67.2-160-1500110.1P845P845-Q847 PolarHBondContact O-N 2.99Å
848P42.8Very low41.5Very low111 Ų111156.1 Ų156.172%0.72179%0.793SS**PPolyproline II helixtrans-60.4140.6177.925.2-33.2000110.7D850P848-D850 PolarHBondContact O-N 3.12Å
849I47.4Very low41.4Very low140 Ų140153.4 Ų153.472%0.71879%0.787SS**  trans-79.3100.6179.3-65.5160.2000107.3H851I849-H851 PolarHBondContact O-CD2 2.89Å; I849-H851 PolarHBondContact O-N 3.08Å
850D42.2Very low41.1Very low154 Ų154155.3 Ų155.382%0.82478%0.783SS**  trans-72114.2168.7-74.2-34.4000108.7P848P848-D850 PolarHBondContact O-N 3.12Å
851H41.4Very low40.9Very low149 Ų149152.3 Ų152.369%0.6978%0.781SS**  trans-75.6131.8-173.5-84.3-88.7000113I849I849-H851 PolarHBondContact O-CD2 2.89Å; I849-H851 PolarHBondContact O-N 3.08Å
852D34.2Very low40.7Very low134 Ų134146.1 Ų146.172%0.71777%0.774SS**  trans56.599.7149.3-60.3-50.4000119.4T854D852-T854 PolarHBondContact O-N 3.31Å
853Q31.2Very low40.6Very low200 Ų200144 Ų14494%0.93578%0.776SS**  trans-54.3121.4156.8-58.4179.6-2.400110.8
854T38.1Very low39.3Very low140 Ų140148.5 Ų148.586%0.85978%0.784SS**  trans-126.4127.1159.622.80000112.2D852D852-T854 PolarHBondContact O-N 3.31Å
855K32.3Very low38.5Very low193 Ų193150.1 Ų150.184%0.83979%0.785SS**  trans-67.2141.7-170.5-52.4173.3-179.2-179.90112.9
856R33.8Very low38Very low233 Ų233150.8 Ų150.888%0.87978%0.783SS**  trans-175.7108.6133.1-97.4147.8179.5159.5-0107.2
857L34.5Very low37.6Very low137 Ų137155.5 Ų155.572%0.71778%0.784SS**  62.9115.882-82.5158.2000112.5
858D36.2Very low36.9Very low139 Ų139157.6 Ų157.674%0.74379%0.785SS**  trans53.3116.4151.2-46.9-28.7000118.5
859D39.5Very low36.4Very low125 Ų125156.6 Ų156.667%0.66878%0.78SS**  -168.9155.887.7-134.6-30.2000114.9
860K37.5Very low35.8Very low159 Ų159161.3 Ų161.369%0.69179%0.789SS**  trans66.5101.2167.8-46.6-48.7168.9-139.40119.7
861P40.3Very low35.2Very low127 Ų127162.4 Ų162.483%0.82579%0.788SS**PPolyproline II helixtrans-75.3145.116732.1-34.1000112.3
862S35.6Very low34.6Very low109 Ų109158.3 Ų158.376%0.76279%0.787SS**PPolyproline II helixtrans-67.2152.5179-48.90000113.2K864S862-K864 PolarHBondContact O-N 3.25Å
863P37.4Very low34.3Very low131 Ų131159.7 Ų159.785%0.85179%0.792SS**PPolyproline II helixtrans-67.5123.3-171.2-19.933000113.2L865P863-L865 PolarHBondContact O-N 3.28Å
864K35.1Very low34.5Very low207 Ų207156.6 Ų156.690%0.979%0.787SS**  trans-72.7109.4165.9-70176.5178.3174.80108.8S862 D866S862-K864 PolarHBondContact O-N 3.25Å; K864-D866 PolarHBondContact O-N 3.24Å
865L36.2Very low34.1Very low149 Ų149156 Ų15678%0.7879%0.788SS**  trans-85.3104.2170.7-156.7158.1000109.4P863 R867P863-L865 PolarHBondContact O-N 3.28Å; L865-R867 HydrophobicContact CD2-CG 4.42Å; L865-R867 PolarHBondContact O-N 3.47Å
866D32.9Very low34.1Very low125 Ų125149.7 Ų149.767%0.66878%0.778SS**  trans-65.4118176.6175.710.6000111.6K864 R868K864-D866 PolarHBondContact O-N 3.24Å; D866-R868 PolarHBondContact OD1-N 3.43Å
867R34.8Very low34.3Very low229 Ų229146.6 Ų146.686%0.86478%0.779SS**  trans-130.578.6154.7-87.2-168.5172.1140.60.3111.5L865L865-R867 HydrophobicContact CD2-CG 4.42Å; L865-R867 PolarHBondContact O-N 3.47Å
868R32.3Very low34.1Very low219 Ų219148.8 Ų148.883%0.82679%0.786SS**  trans38.395130.9-79.3-177.8162.4174.5-4.5116.8D866 R870D866-R868 PolarHBondContact OD1-N 3.43Å; R868-R870 PolarHBondContact O-N 3.3Å
869S31.8Very low34.1Very low89 Ų89148.2 Ų148.262%0.62278%0.783SS**  trans-40.7126.6146175.40000114.2H871S869-H871 PolarHBondContact OG-ND1 2.95Å
870R34Very low33.8Very low240 Ų240151.1 Ų151.191%0.90679%0.785SS**  trans-144.3109.2144.5-72.4-170.6179.9-146.10.7103.9R868R868-R870 PolarHBondContact O-N 3.3Å
871H29Very low33.5Very low176 Ų176154.8 Ų154.882%0.81580%0.797SS**  cis58.4118.344.6-79.279.3000114S869S869-H871 PolarHBondContact OG-ND1 2.95Å
872G29.9Very low33.2Very low63 Ų63153.5 Ų153.565%0.64979%0.786SS**  trans127.463.7-169.800000111.3
873I28.9Very low33Very low163 Ų163155.4 Ų155.484%0.83679%0.788SS**  61.1105.792.4-53.9163.6000112.5
874V33.6Very low32.7Very low135 Ų135155.6 Ų155.682%0.81879%0.786SS**  -159.2123.9119.2163.10000106.3
875S30.6Very low32.5Very low128 Ų128151.6 Ų151.690%0.89578%0.781SS**  trans-85.9130.7164.9-55.90000108.5
876G32.6Very low32.2Very low60 Ų60148 Ų14862%0.61978%0.781SS**  trans-161.9131.5175.500000109.6
877D36.7Very low32.2Very low168 Ų168148 Ų14890%0.89879%0.79SS**  trans66.459.6165.6-47.3-19000116.3N879D877-N879 PolarHBondContact O-N 3.48Å
878E31.8Very low32Very low184 Ų184140 Ų14086%0.8678%0.78SS**  trans-57.7120.8138.3-63.8-176-179.600108.3
879N35.5Very low32.2Very low127 Ų127135.2 Ų135.268%0.67978%0.777SS**  trans-177.5143.1142.3-103-44.7000115.4D877D877-N879 PolarHBondContact O-N 3.48Å
880Y33.7Very low32.4Very low185 Ų185137.9 Ų137.973%0.72579%0.792SS**  trans57.971.9158.3-54.1-53.4000120V882Y880-V882 HydrophobicContact CD1-CG2 4.06Å; Y880-V882 HydrophobicContact CG-CG2 4.39Å; Y880-V882 PolarHBondContact O-N 3.13Å
881Y30.6Very low32.2Very low237 Ų237129.3 Ų129.393%0.92978%0.778SS**  trans-85.690.3132.5-135.8-95.4000108.3N883Y881-N883 PolarHBondContact O-N 3.26Å
882V34.4Very low32.3Very low100 Ų100127.3 Ų127.361%0.60678%0.778SS**  trans-64.9128.5176.8170.50000109Y880 V884Y880-V882 HydrophobicContact CD1-CG2 4.06Å; Y880-V882 HydrophobicContact CG-CG2 4.39Å; Y880-V882 PolarHBondContact O-N 3.13Å; V882-V884 PolarHBondContact O-N 3.08Å
883N32.2Very low32.4Very low149 Ų149135.7 Ų135.780%0.79779%0.79SS**  trans-59109.6174.8-66-57.1000110.3Y881 P885Y881-N883 PolarHBondContact O-N 3.26Å; N883-P885 WeakPolarHBondContact O-CD 3.3Å
884V31.1Very low32.8Very low134 Ų134133 Ų13381%0.81278%0.783SS**  trans-86.5108.3157.7177.90000107.1V882V882-V884 PolarHBondContact O-N 3.08Å
885P30.9Very low33.1Very low123 Ų123131.6 Ų131.680%0.79978%0.777SS**  trans-79.6127.1177.4-3.623.1000108.9N883N883-P885 WeakPolarHBondContact O-CD 3.3Å
886G28.7Very low33.1Very low75 Ų75136.4 Ų136.477%0.77378%0.777SS**  trans177.9-33.517400000118.1G888G886-G888 VanDerWaalsContact C-N 3.31Å; G886-G888 PolarHBondContact O-N 3.39Å
887S32.1Very low33.4Very low123 Ų123139.9 Ų139.986%0.8678%0.781SS**  trans-85.964.9-176.3490000113.3
888G32.6Very low33.2Very low63 Ų63133.9 Ų133.965%0.64976%0.76SS**  trans-59.2137.7163.800000110.9G886G886-G888 VanDerWaalsContact C-N 3.31Å; G886-G888 PolarHBondContact O-N 3.39Å
889P36.4Very low33.5Very low117 Ų117132.4 Ų132.476%0.7675%0.752SS**  trans-68.8155.4-175.228.2-35.3000112.2G891P889-G891 VanDerWaalsContact C-N 3.29Å; P889-G891 PolarHBondContact O-N 3.01Å
890P34.1Very low33.7Very low146 Ų146135.9 Ų135.995%0.94876%0.761SS**  trans-71.280.9-178.730.2-35.9000111.7
891G30.1Very low33.7Very low59 Ų59137.8 Ų137.861%0.60877%0.767SS**  trans-110.8147.5176.800000112.2P889P889-G891 VanDerWaalsContact C-N 3.29Å; P889-G891 PolarHBondContact O-N 3.01Å
892V32.7Very low34.1Very low134 Ų134129 Ų12981%0.81274%0.741SS**  trans66.882.8175.7-162.20000114.3
893R31.9Very low34.3Very low239 Ų239131.3 Ų131.390%0.90275%0.749SS**  trans-54.4133.5147.6-79.7-179.9172.6156.7-1.4107.7
894P35.6Very low34.6Very low107 Ų107130.8 Ų130.870%0.69574%0.742SS**  trans-57.7143.6-179.623.2-33.2000110.2Y896P894-Y896 PolarHBondContact O-N 2.99Å
895P40.1Very low34.8Very low106 Ų106130.1 Ų130.169%0.68873%0.733SS**  trans-58.8115.5177.424.8-32.9000108.2N897P895-N897 PolarHBondContact O-N 3.36Å
896Y30.9Very low35.2Very low228 Ų228131.1 Ų131.189%0.89473%0.731SS**  trans-69.491.1176.1-159.5-98.2000107.1P894 G898P894-Y896 PolarHBondContact O-N 2.99Å; Y896-G898 PolarHBondContact O-N 3.49Å
897N39.2Very low35.7Very low133 Ų133131.7 Ų131.771%0.71172%0.723SS**  trans-67.958.2168.5-92.32.1000109.4P895 H899P895-N897 PolarHBondContact O-N 3.36Å; N897-H899 PolarHBondContact O-N 2.74Å; N897-H899 PolarHBondContact O-ND1 3.19Å
898G32.7Very low36Very low43 Ų43134.3 Ų134.344%0.44372%0.722SS.*  trans-63.577.9159.900000107.7Y896 K900Y896-G898 PolarHBondContact O-N 3.49Å; G898-K900 PolarHBondContact O-N 3.44Å
899H38.7Very low36Very low152 Ų152142.9 Ų142.970%0.70474%0.735SS**  trans-47.9112.2157.8-81.760.7000105.2N897 R901N897-H899 PolarHBondContact O-N 2.74Å; N897-H899 PolarHBondContact O-ND1 3.19Å; H899-R901 PolarHBondContact O-N 3.05Å
900K38.5Very low35.9Very low201 Ų201142 Ų14287%0.87473%0.731SS**  trans-6490.3171.9-64.2177.2-177175.50105.2G898 S902G898-K900 PolarHBondContact O-N 3.44Å; K900-S902 VanDerWaalsContact C-N 3.26Å; K900-S902 PolarHBondContact O-N 3.04Å
901R34.5Very low35.7Very low224 Ų224137 Ų13785%0.84571%0.707SS**  trans-54.7105.1161.5-63.4-173.3-164.7171.24.1104H899 L903H899-R901 PolarHBondContact O-N 3.05Å; R901-L903 PolarHBondContact O-N 2.9Å
902S38.8Very low36.1Very low54 Ų54139.8 Ų139.838%0.37871%0.714SS.*  trans-62.3142.2-171.670.50000107.3K900 Q904 D905K900-S902 VanDerWaalsContact C-N 3.26Å; K900-S902 PolarHBondContact O-N 3.04Å; S902-Q904 PolarHBondContact O-N 2.87Å; S902-D905 PolarHBondContact O-N 2.82Å
903L38.9Very low36.3Very low148 Ų148142.6 Ų142.678%0.77572%0.718SS**G310 helixtrans-65.3-10.5-176.3-156.4139.6000111.6R901 D905 L906R901-L903 PolarHBondContact O-N 2.9Å; L903-D905 VanDerWaalsContact C-N 3.29Å; L903-D905 PolarHBondContact O-N 3.43Å; L903-L906 PolarHBondContact O-N 3.12Å
904Q37.6Very low36.7Very low138 Ų138135.6 Ų135.665%0.64571%0.706SS**G310 helixtrans-52.7-36.8164.6-92.792.2-000113.9S902 L906 S907S902-Q904 PolarHBondContact O-N 2.87Å; Q904-L906 PolarHBondContact O-N 3.18Å; Q904-S907 WeakPolarHBondContact O-CB 3.47Å; Q904-S907 PolarHBondContact O-N 2.99Å
905D36.2Very low37Very low119 Ų119135.4 Ų135.464%0.63671%0.713SS**G310 helixtrans-70-8.2-175.9-67.5-16.9000113.7S902 L903S902-D905 PolarHBondContact O-N 2.82Å; L903-D905 VanDerWaalsContact C-N 3.29Å; L903-D905 PolarHBondContact O-N 3.43Å
906L38.6Very low36.8Very low145 Ų145138 Ų13876%0.75971%0.71SS**G310 helixtrans-101.2-0.5169.5-63.7-178.8000113.1L903 Q904L903-L906 PolarHBondContact O-N 3.12Å; Q904-L906 PolarHBondContact O-N 3.18Å
907S39.1Very low37.7Very low86 Ų86130.7 Ų130.760%0.60169%0.687SS**SBendtrans-80.3-17.4179.5-163.90000113.7Q904Q904-S907 WeakPolarHBondContact O-CB 3.47Å; Q904-S907 PolarHBondContact O-N 2.99Å
908E38.4Very low38.5Very low179 Ų179129 Ų12984%0.83668%0.683SS**SBendtrans-101.73-170.2-61.8-167173.400114.9
909R33.1Very low39.5Very low242 Ų242137.4 Ų137.491%0.91370%0.702SS**SBendtrans-113.9-3.2178.1-80.9-171.6171.7-140-2.2116.2G911R909-G911 PolarHBondContact O-N 3.35Å; R909-G911 VanDerWaalsContact O-N 3.13Å
910S34.3Very low40Very low98 Ų98136.4 Ų136.469%0.68570%0.701SS**  trans-81.875.3155.858.50000109.2
911G29.6Very low39.9Very low43 Ų43129.5 Ų129.544%0.44369%0.686SS.*  trans-54.1152.6159.600000109.6R909 H913R909-G911 PolarHBondContact O-N 3.35Å; R909-G911 VanDerWaalsContact O-N 3.13Å; G911-H913 VanDerWaalsContact C-N 3.31Å; G911-H913 PolarHBondContact O-N 3.04Å
912P39.1Very low40.3Very low117 Ų117125.1 Ų125.176%0.7668%0.68SS**  trans-71.982.2-163.329.1-36.5000112.7S914P912-S914 PolarHBondContact O-N 2.89Å
913H36.7Very low40.5Very low192 Ų192128.6 Ų128.689%0.88970%0.699SS**  trans-76.553.9147.3-61.9-35.6000109.2G911 A915G911-H913 VanDerWaalsContact C-N 3.31Å; G911-H913 PolarHBondContact O-N 3.04Å; H913-A915 PolarHBondContact O-N 3.34Å
914S40.9Very low40.6Very low93 Ų93128.4 Ų128.465%0.6570%0.697SS**  trans-50.3126.5156.8-54.40000106.6P912 Y916P912-S914 PolarHBondContact O-N 2.89Å; S914-Y916 PolarHBondContact O-N 3.33Å
915A41.8Very low40.6Very low102 Ų102129.4 Ų129.484%0.84371%0.707SS**  trans-62.6102.3178.600000108.8H913 D917H913-A915 PolarHBondContact O-N 3.34Å; A915-D917 PolarHBondContact O-N 3.08Å
916Y36.3Very low40.5Very low160 Ų160131.5 Ų131.563%0.62771%0.713SS**  trans-58.3107.9172.8177.3-94.8000108.1S914 P918S914-Y916 PolarHBondContact O-N 3.33Å; Y916-P918 HydrophobicContact CD1-CG 4.18Å; Y916-P918 HydrophobicContact CE1-CB 4.15Å; Y916-P918 HydrophobicContact CE1-CG 4.27Å; Y916-P918 VanDerWaalsContact O-CD 3.26Å; Y916-P918 WeakPolarHBondContact O-CD 3.49Å
917D48.5Very low40.4Very low75 Ų75129.6 Ų129.640%0.40171%0.709SS.*  trans-80.5110.3171.5-176.1-11.2000107.8A915 R919 L920A915-D917 PolarHBondContact O-N 3.08Å; D917-R919 PolarHBondContact O-N 2.94Å; D917-R919 WeakPolarHBondContact OD1-CB 3.16Å; D917-R919 WeakPolarHBondContact OD1-CG 3.39Å; D917-R919 PolarHBondContact OD1-N 3.45Å; D917-L920 PolarHBondContact O-N 2.98Å
918P55.8Low40.2Very low99 Ų99131.1 Ų131.164%0.64372%0.72SS**THydrogen-bonded Turntrans-65.6-3.2-176.1-18.733.3000114.2Y916Y916-P918 HydrophobicContact CD1-CG 4.18Å; Y916-P918 HydrophobicContact CE1-CB 4.15Å; Y916-P918 HydrophobicContact CE1-CG 4.27Å; Y916-P918 VanDerWaalsContact O-CD 3.26Å; Y916-P918 WeakPolarHBondContact O-CD 3.49Å
919R55.1Low40Very low219 Ų219131.8 Ų131.883%0.82672%0.72SS**THydrogen-bonded Turntrans-83.6-23.9173.8-61.2171.4179.9167.41112.8D917 G921D917-R919 PolarHBondContact O-N 2.94Å; D917-R919 WeakPolarHBondContact OD1-CB 3.16Å; D917-R919 WeakPolarHBondContact OD1-CG 3.39Å; D917-R919 PolarHBondContact OD1-N 3.45Å; R919-G921 PolarHBondContact O-N 3.15Å; R919-G921 VanDerWaalsContact O-N 3.13Å
920L49.3Very low40.2Very low131 Ų131125.9 Ų125.969%0.68671%0.713SS**SBendtrans-86.668.6169-59.1-176.9000107.5D917 D922D917-L920 PolarHBondContact O-N 2.98Å; L920-D922 PolarHBondContact O-N 3.33Å; L920-D922 VanDerWaalsContact O-N 3.15Å
921G35.7Very low40.1Very low55 Ų55132.1 Ų132.157%0.56772%0.721SS**  trans-62.9114.2176.100000109.6R919 T923R919-G921 PolarHBondContact O-N 3.15Å; R919-G921 VanDerWaalsContact O-N 3.13Å; G921-T923 PolarHBondContact O-N 2.79Å
922D43.6Very low40.4Very low132 Ų132135.7 Ų135.771%0.70674%0.735SS**  trans-53.8135.5176.8-78.3-47.1000110.4L920 I924L920-D922 PolarHBondContact O-N 3.33Å; L920-D922 VanDerWaalsContact O-N 3.15Å; D922-I924 PolarHBondContact O-N 3.49Å
923T42.1Very low40.3Very low127 Ų127135.7 Ų135.778%0.77974%0.738SS**  trans-59.8133.1-172.1-39.10000110G921 N925G921-T923 PolarHBondContact O-N 2.79Å; T923-N925 PolarHBondContact O-N 3.36Å
924I40.3Very low40.1Very low145 Ų145133.1 Ų133.174%0.74473%0.731SS**  trans-60.296.5-175.4-59.7166.7000109.4D922 Q926D922-I924 PolarHBondContact O-N 3.49Å; I924-Q926 PolarHBondContact O-N 3.04Å; I924-Q926 VanDerWaalsContact O-N 3.07Å
925N37.7Very low39.7Very low158 Ų158139.4 Ų139.485%0.84574%0.74SS**  trans-69.4106.3166.9-84.8-38.1000107.4T923T923-N925 PolarHBondContact O-N 3.36Å
926Q33.9Very low39.2Very low164 Ų164142 Ų14277%0.76674%0.738SS**  trans-44.6130.6-177.8-70.3-78.63.800111.3I924 S928I924-Q926 PolarHBondContact O-N 3.04Å; I924-Q926 VanDerWaalsContact O-N 3.07Å; Q926-S928 PolarHBondContact O-N 2.93Å; Q926-S928 VanDerWaalsContact O-N 3.16Å
927P37.3Very low39Very low104 Ų104139.1 Ų139.168%0.67574%0.741SS**PPolyproline II helixtrans-63.8119.9176.526.6-33000109.3K929P927-K929 PolarHBondContact O-N 3.06Å; P927-K929 VanDerWaalsContact O-N 3.15Å
928S35.6Very low38.3Very low118 Ų118142.5 Ų142.583%0.82576%0.759SS**PPolyproline II helixtrans-62.1118.5171.945.80000108.9Q926Q926-S928 PolarHBondContact O-N 2.93Å; Q926-S928 VanDerWaalsContact O-N 3.16Å
929K33.4Very low37.4Very low194 Ų194145.7 Ų145.784%0.84377%0.765SS**PPolyproline II helixtrans-56.2135.7-175.6-67.8174.8177.9177.20110.3P927 R931P927-K929 PolarHBondContact O-N 3.06Å; P927-K929 VanDerWaalsContact O-N 3.15Å; K929-R931 PolarHBondContact O-N 3.44Å
930P38.2Very low36.4Very low118 Ų118142.8 Ų142.877%0.76677%0.765SS**PPolyproline II helixtrans-61.8129.6174.226.2-33.2000109.4T932P930-T932 PolarHBondContact O-N 3.13Å; P930-T932 VanDerWaalsContact O-N 3.15Å
931R32.4Very low36Very low228 Ų228141.4 Ų141.486%0.8676%0.764SS**  trans-75101.9-175.9-171.5174.2177169.5-1.3109.3K929 S933K929-R931 PolarHBondContact O-N 3.44Å; R931-S933 PolarHBondContact O-N 2.74Å
932T36Very low35.9Very low119 Ų119145.9 Ų145.973%0.7378%0.775SS**  trans-74.9120.5-178.946.60000111.8P930P930-T932 PolarHBondContact O-N 3.13Å; P930-T932 VanDerWaalsContact O-N 3.15Å
933S35.6Very low35.6Very low117 Ų117149 Ų14982%0.81878%0.778SS**  trans33.293.3145.3-48.20000118.8R931 R935R931-S933 PolarHBondContact O-N 2.74Å; S933-R935 PolarHBondContact O-N 3.01Å
934D32.1Very low35.5Very low138 Ų138153.9 Ų153.974%0.73878%0.784SS**  trans-74.1106.3158.3-61.1-55.3000109.9
935R32.6Very low35.4Very low225 Ų225152 Ų15285%0.84978%0.775SS**  trans171.2122.7144.8-99.1163.1177.6170.8-0.2114.6S933S933-R935 PolarHBondContact O-N 3.01Å
936I31.8Very low35.4Very low156 Ų156152.5 Ų152.580%0.877%0.772SS**  trans63.9110.3146.7-49.4158.3000114.5
937S33.3Very low35.8Very low99 Ų99155.2 Ų155.269%0.69278%0.777SS**  -164.2147.155.8-170.50000112
938D32.6Very low36.1Very low146 Ų146155.1 Ų155.178%0.78178%0.775SS**  trans-77.5137.4177.4-46.9-82.3000113.1
939Q37.3Very low36.2Very low166 Ų166154.6 Ų154.678%0.77677%0.771SS**  trans-178.2101.5152.6-101.9147.49400108
940I33.7Very low36.9Very low158 Ų158152 Ų15281%0.8177%0.766SS**  83.4129.287.6-76.8170.5000111.7
941P40.2Very low37.4Very low103 Ų103154.3 Ų154.367%0.66977%0.767SS**  -130.6178.4-72.326.9-3.3000113.5Y943P941-Y943 PolarHBondContact O-N 2.99Å
942D34.5Very low38.2Very low148 Ų148147.2 Ų147.279%0.79175%0.753SS**  trans-14.7114.4165.1-51.3-52.4000117.7
943Y38.1Very low38.9Very low198 Ų198148.6 Ų148.678%0.77676%0.756SS**  trans-137.357.3162.7-134.4-84.5000110.6P941 D945P941-Y943 PolarHBondContact O-N 2.99Å; Y943-D945 VanDerWaalsContact C-N 3.27Å; Y943-D945 VanDerWaalsContact CE1-OD2 3.25Å; Y943-D945 WeakPolarHBondContact CE1-OD2 3.26Å; Y943-D945 PolarHBondContact O-N 3.1Å
944Y38.2Very low39.6Very low230 Ų230153.1 Ų153.190%0.90276%0.756SS**  trans-8674.9167.2-86.7-79.3000109.6
945D39.4Very low40.5Very low104 Ų104153.2 Ų153.256%0.55676%0.756SS**  trans-65.1140.3168.3-107.1-19.4000110.6Y943 Y947Y943-D945 VanDerWaalsContact C-N 3.27Å; Y943-D945 VanDerWaalsContact CE1-OD2 3.25Å; Y943-D945 WeakPolarHBondContact CE1-OD2 3.26Å; Y943-D945 PolarHBondContact O-N 3.1Å; D945-Y947 PolarHBondContact O-N 2.91Å
946Q37Very low41.7Very low169 Ų169149.9 Ų149.979%0.7976%0.756SS**  trans-54.7103-179.1-67152.8-17.600112
947Y41.8Very low42.4Very low221 Ų221146.9 Ų146.987%0.86775%0.748SS**  trans-90.896147.5-75.7-82.7000107.5D945D945-Y947 PolarHBondContact O-N 2.91Å
948T44Very low42.4Very low103 Ų103146.1 Ų146.163%0.63276%0.756SS**  trans-52.9155.6173.642.50000111.7D950T948-D950 PolarHBondContact O-N 3.2Å
949S38.8Very low42.6Very low107 Ų107147.9 Ų147.975%0.74876%0.76SS**  trans-53.9104.9172.5-49.20000111.2E951S949-E951 PolarHBondContact O-N 3.09Å
950D47.6Very low42.9Very low139 Ų139144.5 Ų144.574%0.74375%0.754SS**  trans-7479.7164.8-73.8-23.4000108T948 S952T948-D950 PolarHBondContact O-N 3.2Å; D950-S952 PolarHBondContact O-N 3.38Å
951E47.9Very low43.3Very low166 Ų166145.2 Ų145.278%0.77676%0.76SS**  trans-71.672172.5-152.981.6143.700108.2S949 D953S949-E951 PolarHBondContact O-N 3.09Å; E951-D953 PolarHBondContact O-N 3.42Å
952S50.5Low43.8Very low80 Ų80148 Ų14856%0.55976%0.764SS**  trans-84.3103.7177.668.10000109.6D950 Y954D950-S952 PolarHBondContact O-N 3.38Å; S952-Y954 PolarHBondContact O-N 2.94Å
953D50.6Low44.3Very low148 Ų148149.4 Ų149.479%0.79177%0.766SS**  trans-48.4101.8165.8-68.3-51.7000110.7E951 D955E951-D953 PolarHBondContact O-N 3.42Å; D953-D955 PolarHBondContact O-N 2.88Å
954Y50.6Low44.6Very low211 Ų211148.2 Ų148.283%0.82777%0.772SS**  trans-91.870.1153.9-78.4-81.8000108S952 D956S952-Y954 PolarHBondContact O-N 2.94Å; Y954-D956 PolarHBondContact O-N 3.4Å
955D50Low44.8Very low140 Ų140146.3 Ų146.375%0.74977%0.768SS**  trans-61.784.6159.4-162.614.7000106.8D953 S957D953-D955 PolarHBondContact O-N 2.88Å; D955-S957 PolarHBondContact O-N 2.89Å
956D57.5Low45Very low156 Ų156146.6 Ų146.683%0.83478%0.776SS**  trans-72.272.9176.7-167.718.2000108.5Y954 G958Y954-D956 PolarHBondContact O-N 3.4Å; D956-G958 PolarHBondContact O-N 2.91Å; D956-G958 VanDerWaalsContact O-N 3.07Å
957S46.1Very low45.2Very low92 Ų92144.2 Ų144.264%0.64378%0.775SS**  trans-55.5108.8-178.155.80000109.4D955 E959D955-S957 PolarHBondContact O-N 2.89Å; S957-E959 PolarHBondContact O-N 3.07Å
958G33.5Very low45.1Very low83 Ų83138 Ų13886%0.85677%0.77SS**  trans-67.6102.7-179.600000111.7D956D956-G958 PolarHBondContact O-N 2.91Å; D956-G958 VanDerWaalsContact O-N 3.07Å
959E38.5Very low45Very low184 Ų184141.1 Ų141.186%0.8678%0.781SS**  trans-149.495161.5-153170.4-147.700111.9S957S957-E959 PolarHBondContact O-N 3.07Å
960S42.7Very low45.1Very low94 Ų94147 Ų14766%0.65779%0.787SS**  trans162.699.5133.365.80000110.6E962S960-E962 PolarHBondContact O-N 2.78Å
961D42.2Very low44.7Very low174 Ų174146.8 Ų146.893%0.9379%0.791SS**  trans-71.148157.7-85.3-35.3000110E963D961-E963 PolarHBondContact O-N 2.84Å
962E51.2Low44.4Very low160 Ų160145.9 Ų145.975%0.74879%0.79SS**  trans-73.582.3176.1-161.583.9-141.300107.4S960 L964S960-E962 PolarHBondContact O-N 2.78Å; E962-L964 PolarHBondContact O-N 2.94Å
963E45.1Very low43.7Very low179 Ų179147.5 Ų147.584%0.83680%0.797SS**  trans-43.1112.5175.2-75.9-170.9132.900108.6D961 K965D961-E963 PolarHBondContact O-N 2.84Å; E963-K965 PolarHBondContact O-N 2.83Å
964L44.3Very low43.1Very low172 Ų172149.5 Ų149.590%0.90180%0.801SS**  trans-62.182.3-178.2-80.3170000110.2E962 P966E962-L964 PolarHBondContact O-N 2.94Å; L964-P966 WeakPolarHBondContact O-CD 3.21Å
965K41.8Very low42.3Very low191 Ų191145.2 Ų145.283%0.8380%0.797SS**PPolyproline II helixtrans-62.5117.2-179.1-152.8168-167.3163.70106E963E963-K965 PolarHBondContact O-N 2.83Å
966P43.4Very low41.4Very low110 Ų110149 Ų14971%0.71480%0.801SS**PPolyproline II helixtrans-55.3135.8-176.522-32.6000108.4L964 A968L964-P966 WeakPolarHBondContact O-CD 3.21Å; P966-A968 PolarHBondContact O-N 3.02Å
967P41.9Very low40.2Very low118 Ų118153.1 Ų153.177%0.76681%0.805SS**PPolyproline II helixtrans-53.6127.2-162.318.7-32.6000110.2L969P967-L969 PolarHBondContact O-N 3.45Å
968A39.2Very low39.7Very low92 Ų92159.3 Ų159.376%0.7681%0.814SS**PPolyproline II helixtrans-48.3119.6176.500000108.3P966 R970P966-A968 PolarHBondContact O-N 3.02Å; A968-R970 PolarHBondContact O-N 3.12Å
969L40.8Very low39.9Very low167 Ų167160.1 Ų160.187%0.87481%0.807SS**  trans-55.8105.3178.1-77.5172.5000107.1P967 T971P967-L969 PolarHBondContact O-N 3.45Å; L969-T971 PolarHBondContact O-N 2.88Å
970R41.8Very low39.4Very low230 Ų230160.4 Ų160.487%0.86881%0.808SS**  trans-53110.1-179.9-63.5177.2-175.9170.50.5105.6A968 I972A968-R970 PolarHBondContact O-N 3.12Å; R970-I972 VanDerWaalsContact C-N 3.27Å; R970-I972 PolarHBondContact O-N 3.41Å
971T38.1Very low39.3Very low135 Ų135161.1 Ų161.183%0.82881%0.811SS**  trans-63.898.2179.9-46.30000105.6L969 T973L969-T971 PolarHBondContact O-N 2.88Å; T971-T973 PolarHBondContact O-N 2.98Å
972I41.9Very low38.8Very low148 Ų148161.6 Ų161.676%0.75981%0.807SS**  trans-59.6111178.9-64.1176.5000104.4R970 Q974R970-I972 VanDerWaalsContact C-N 3.27Å; R970-I972 PolarHBondContact O-N 3.41Å; I972-Q974 PolarHBondContact O-N 3.28Å
973T37.2Very low38.1Very low114 Ų114159.4 Ų159.470%0.69981%0.807SS**  trans-50.3109.317636.30000106.8T971 T975T971-T973 PolarHBondContact O-N 2.98Å; T973-T975 PolarHBondContact O-N 3.47Å
974Q37.9Very low37.9Very low189 Ų189156 Ų15688%0.88380%0.803SS**  trans-62.897169.5-69-173.85.500105.6I972 R976I972-Q974 PolarHBondContact O-N 3.28Å; Q974-R976 PolarHBondContact O-N 2.98Å
975T33.9Very low37.4Very low122 Ų122155 Ų15575%0.74880%0.798SS**  trans-66.688.517447.60000106.6T973 R977T973-T975 PolarHBondContact O-N 3.47Å; T975-R977 PolarHBondContact O-N 2.97Å
976R30.7Very low37Very low220 Ų220152.8 Ų152.883%0.8380%0.796SS**  trans-46.2103.3173.6-171.2178.491.9-152.211107.3Q974 R978Q974-R976 PolarHBondContact O-N 2.98Å; R976-R978 PolarHBondContact O-N 3.49Å
977R32.9Very low36.4Very low241 Ų241158.4 Ų158.491%0.90980%0.804SS**  trans-57.3121.5171.1-90.2-169.9156.6164.4-4.3106.1T975 S979T975-R977 PolarHBondContact O-N 2.97Å; R977-S979 PolarHBondContact O-N 3.45Å
978R35Very low36.1Very low223 Ų223157.4 Ų157.484%0.84280%0.798SS**  trans-63122.5-176.4-71.1-179.6170.8-170.6-3.4107.8R976R976-R978 PolarHBondContact O-N 3.49Å
979S38.2Very low36Very low100 Ų100159.1 Ų159.170%0.69980%0.801SS**  trans42.585.7152.756.70000115.6R977R977-S979 PolarHBondContact O-N 3.45Å
980E27.3Very low35.8Very low189 Ų189158.1 Ų158.188%0.88380%0.802SS**PPolyproline II helixtrans-68126.5134.4-167.5164.1178.300106.2
981P40Very low35.6Very low110 Ų110155.6 Ų155.671%0.71480%0.8SS**PPolyproline II helixtrans-66143-169.9-21.933.7000112.6
982E32.6Very low35.3Very low184 Ų184157.7 Ų157.786%0.8681%0.805SS**PPolyproline II helixtrans-60.8136.4172.5-74.6-159.915200110.9S984E982-S984 PolarHBondContact O-N 3.46Å
983P36.5Very low34.9Very low113 Ų113162.4 Ų162.473%0.73481%0.813SS**  trans-71.1101177.529-33.5000109.6N985P983-N985 PolarHBondContact O-N 3.12Å
984S39.6Very low34.8Very low108 Ų108168.1 Ų168.176%0.75582%0.822SS**  trans-65.994172.661.50000110.1E982 N986E982-S984 PolarHBondContact O-N 3.46Å; S984-N986 VanDerWaalsContact C-N 3.26Å; S984-N986 PolarHBondContact O-N 3.1Å
985N33.9Very low34.6Very low150 Ų150165.2 Ų165.280%0.80282%0.819SS**  trans-61.882.1169.7-82.5-40.2000110.5P983P983-N985 PolarHBondContact O-N 3.12Å
986N33.3Very low34.8Very low146 Ų146165.2 Ų165.278%0.78182%0.824SS**  trans-163.163.7171.9-94.2-35000112.6S984S984-N986 VanDerWaalsContact C-N 3.26Å; S984-N986 PolarHBondContact O-N 3.1Å
987Y32.6Very low34.9Very low227 Ų227165 Ų16589%0.8983%0.829SS**  trans-134138.4152.7-91.8-84.4000110.5
988P33.6Very low34.9Very low98 Ų98157.2 Ų157.264%0.63682%0.824SS**  trans-79.2162.6-164.232.1-36.3000113.7V990P988-V990 PolarHBondContact O-N 3.2Å; P988-V990 VanDerWaalsContact O-N 3.12Å
989P37Very low34.6Very low127 Ų127155.6 Ų155.683%0.82583%0.826SS**  trans-68.9109.7-170.427.1-35.7000112.8
990V36.8Very low34.4Very low146 Ų146160.1 Ų160.189%0.88583%0.833SS**  trans-80.7133.1171.8-178.70000110P988P988-V990 PolarHBondContact O-N 3.2Å; P988-V990 VanDerWaalsContact O-N 3.12Å
991Q37.9Very low34.6Very low177 Ų177157.7 Ų157.783%0.82783%0.831SS**  trans-73.1145.9-161.1-61.9165.67.800113.8R993Q991-R993 PolarHBondContact O-N 3.37Å
992L32.9Very low33.8Very low179 Ų179156 Ų15694%0.93783%0.834SS**  trans-55.795.5172-71.6160.8000111.8
993R33.3Very low33.9Very low248 Ų248156.2 Ų156.294%0.93684%0.835SS**PPolyproline II helixtrans-79.5126.1171.3-121.2176.4179.5139.10.1110Q991Q991-R993 PolarHBondContact O-N 3.37Å
994R34.4Very low33.5Very low234 Ų234156.3 Ų156.388%0.88384%0.838SS**PPolyproline II helixtrans-67.1151.5-170.1-65.4176.5-174.2162.71.7112.6
995P34.3Very low33.1Very low128 Ų128157.9 Ų157.983%0.83184%0.836SS**PPolyproline II helixtrans-70.4143-176.728.8-36.2000113.1K997P995-K997 PolarHBondContact O-N 2.91Å
996S38.3Very low32.8Very low121 Ų121156.7 Ų156.785%0.84684%0.835SS**  trans-78.9112.2176.653.40000112G998S996-G998 PolarHBondContact O-N 3.37Å
997K33Very low32.5Very low217 Ų217154.3 Ų154.394%0.94383%0.829SS**  trans-71.4113.6162-84.3178.7172.7177.30109.2P995P995-K997 PolarHBondContact O-N 2.91Å
998G32Very low32.9Very low76 Ų76151 Ų15178%0.78483%0.826SS**  trans-139.893.7173.200000110.9S996S996-G998 PolarHBondContact O-N 3.37Å
999Q29.4Very low32.7Very low190 Ų190156.8 Ų156.889%0.88884%0.835SS**  trans-92.6137.2168.2-67.7-173.3-58.400110
1000K34.1Very low32.2Very low194 Ų194158 Ų15884%0.84383%0.834SS**  trans-174105.6143.7-98.8150.2-173-173.70108.8
1001T30.3Very low32.2Very low138 Ų138156.8 Ų156.885%0.84783%0.832SS**  60114.4110.30.50000114.4
1002G24.2Very low31.9Very low75 Ų75155.7 Ų155.777%0.77383%0.831SS**  trans-86.6170.7-175.600000114.8
1003Q34.5Very low31.8Very low189 Ų189155 Ų15588%0.88383%0.827SS**  trans-139.4146.6163.6-69-170.8-10.200109.2
1004S27.8Very low31.6Very low114 Ų114148.1 Ų148.180%0.79782%0.817SS**  trans-138.8111-18057.30000110.5
1005I31.8Very low31.7Very low141 Ų141142.8 Ų142.872%0.72381%0.813SS**  trans-148.593.9176.6-50.6178.7000104.8
1006T27.8Very low31.5Very low125 Ų125146.1 Ų146.177%0.76782%0.817SS**  60.1137.591.665.50000117.1
1007S26.2Very low31.2Very low96 Ų96143.6 Ų143.667%0.67181%0.81SS**  trans80.5117.8162-178.70000120.9
1008I41.8Very low30.9Very low159 Ų159142 Ų14282%0.81581%0.808SS**  trans173.396.1131.4-82146.8000104.7
1009R28Very low30.8Very low219 Ų219144.1 Ų144.183%0.82681%0.811SS**  69.7125.485-75.3-166.5-174.4-178.94115.6
1010D28.3Very low30.8Very low152 Ų152143 Ų14381%0.81381%0.809SS**  trans-68.3158.3-172.9-43.1-82000114.6
1011S35.5Very low30.7Very low120 Ų120139.4 Ų139.484%0.83981%0.806SS**  trans-139.7116.1160.8-69.30000109.5
1012L31.4Very low30.6Very low155 Ų155138.5 Ų138.581%0.81281%0.805SS**  trans-125.4159.4170.2-63.3173.7000107
1013I30.7Very low31.1Very low163 Ų163141.7 Ų141.784%0.83681%0.81SS**  trans97.1131-166.6-80.565000111.1
1014S29.2Very low30.9Very low104 Ų104138.9 Ų138.973%0.72781%0.808SS**  cis-158172.4-5.7-103.10000111.6
1015P37.4Very low30.8Very low123 Ų123136.5 Ų136.580%0.79980%0.801SS**  trans-104.6146.9-178.338.1-30.6000114.6
1016E29.8Very low30.5Very low198 Ų198139.9 Ų139.993%0.92581%0.806SS**  trans-159.7150.7173.7-149.4156.8-173.700113.8
1017G32.3Very low30.6Very low67 Ų67141.1 Ų141.169%0.69180%0.804SS**  trans8591.3175.600000115.4
1018M25.6Very low30.7Very low183 Ų183144.6 Ų144.690%0.90182%0.815SS**  cis64.897.637.7-68.517657.700116.1
1019S31Very low30.2Very low121 Ų121143 Ų14385%0.84681%0.806SS**  -178.1123.3125.353.10000111.8
1020I29.4Very low30.4Very low166 Ų166142.7 Ų142.785%0.85181%0.807SS**  trans-116.8129.3170.2-63.4171.5000107.7S1022I1020-S1022 PolarHBondContact O-N 2.92Å
1021P31.1Very low30.5Very low120 Ų120138.9 Ų138.978%0.77980%0.804SS**  trans-84.2113.4176.531.4-31.5000112.5
1022S28Very low30.6Very low119 Ų119140 Ų14083%0.83280%0.799SS**  trans23.1113.8146.9-53.20000120.7I1020I1020-S1022 PolarHBondContact O-N 2.92Å
1023T34.9Very low30.8Very low141 Ų141143.4 Ų143.487%0.86580%0.802SS**  trans-103.7142.5144.145.30000110
1024P30.3Very low30.9Very low131 Ų131143 Ų14385%0.85179%0.791SS**  trans-100.6132.3-175.416.32.4000113.6
1025G25.6Very low31.4Very low64 Ų64142.4 Ų142.466%0.6678%0.78SS**  trans108.6115.6138.600000118.6
1026Y26.4Very low32.1Very low211 Ų211143.7 Ų143.783%0.82778%0.78SS**  trans64.5136148.1-71.5-112.6000117.5
1027E30.1Very low33.1Very low152 Ų152143.4 Ų143.471%0.7178%0.776SS**  cis-156.7141.5-3.3-134.2170.3-164.600109.4
1028N27.9Very low34.1Very low168 Ų168144.3 Ų144.390%0.89877%0.768SS**  trans-89.6110.6-179.7-92.9-32.5000111.3
1029I30.6Very low34.9Very low126 Ų126139.3 Ų139.365%0.64676%0.763SS**  trans-143.5141.6160.2-32.4177.6000111.9
1030Y32.3Very low35.2Very low213 Ų213141.2 Ų141.284%0.83576%0.756SS**  trans80.563171.8-56.8-67.9000119.2
1031G31.7Very low35.6Very low72 Ų72142.1 Ų142.174%0.74275%0.75SS**  69.469.899.800000118.6
1032I36.4Very low36.1Very low144 Ų144143.7 Ų143.774%0.73875%0.749SS**  trans-97.8108.7154.1-57.5-179.3000107.6Y1034I1032-Y1034 PolarHBondContact O-N 3.37Å
1033Y37.1Very low36.7Very low225 Ų225146.1 Ų146.188%0.88274%0.744SS**  trans-63.4117.4176.7-92.1-103.9000110.4
1034Y31.6Very low36.7Very low156 Ų156142.1 Ų142.161%0.61273%0.731SS**  trans-77.1142.7156.8-81.4-104.4000108.6I1032 Y1041I1032-Y1034 PolarHBondContact O-N 3.37Å; Y1034-Y1041 HydrophobicContact CE1-CE1 4.4Å; Y1034-Y1041 PolarHBondContact OH-OH 2.95Å
1035D39.5Very low37.2Very low90 Ų90143.9 Ų143.948%0.48173%0.733SS.*  trans-111.7102.6165.3-175.8-6.1000108.3K1037D1035-K1037 PolarHBondContact O-N 3.48Å; D1035-K1037 PolarHBondContact OD1-N 2.85Å
1036D51.5Low37.8Very low151 Ų151146.6 Ų146.681%0.80773%0.732SS**THydrogen-bonded Turntrans-57.5-16.1-167.8-41.3-19.4000113.8
1037K51.4Low38.3Very low191 Ų191144.1 Ų144.183%0.8373%0.728SS**THydrogen-bonded Turntrans-91-17.5-166.9-66.6176.7-177.6171.60115.2D1035D1035-K1037 PolarHBondContact O-N 3.48Å; D1035-K1037 PolarHBondContact OD1-N 2.85Å
1038T53.3Low38.5Very low87 Ų87144 Ų14453%0.53473%0.732SS.*THydrogen-bonded Turntrans-120.6-13.7-174.563.90000115.2K1040T1038-K1040 PolarHBondContact O-N 3.17Å
1039G42.9Very low38.9Very low77 Ų77143.7 Ų143.779%0.79473%0.725SS**  trans6018.1-179.800000114
1040K37.9Very low39.1Very low161 Ų161142.8 Ų142.870%0.773%0.729SS**  trans-111.3124.7177.6-66.2-69.6-179.6178.80108.1T1038 M1042T1038-K1040 PolarHBondContact O-N 3.17Å; K1040-M1042 PolarHBondContact O-N 2.89Å; K1040-M1042 VanDerWaalsContact O-N 3.11Å
1041Y37.2Very low39.2Very low186 Ų186139.9 Ų139.973%0.72973%0.728SS**PPolyproline II helixtrans-58.1116.7166.8-82.9-97.3000109.1Y1034 K1043Y1034-Y1041 HydrophobicContact CE1-CE1 4.4Å; Y1034-Y1041 PolarHBondContact OH-OH 2.95Å; Y1041-K1043 PolarHBondContact O-N 2.9Å
1042M40.6Very low39.1Very low153 Ų153139.8 Ų139.875%0.75473%0.728SS**PPolyproline II helixtrans-70.1116.1162.3-70.6-147.171.500107.7K1040 G1044K1040-M1042 PolarHBondContact O-N 2.89Å; K1040-M1042 VanDerWaalsContact O-N 3.11Å; M1042-G1044 PolarHBondContact O-N 2.83Å; M1042-G1044 VanDerWaalsContact O-N 3.11Å
1043K41.7Very low38.9Very low169 Ų169141.2 Ų141.274%0.73573%0.733SS**PPolyproline II helixtrans-61116.7169.5-170-172-179.4-137.10106.6Y1041 D1046Y1041-K1043 PolarHBondContact O-N 2.9Å; K1043-D1046 IonicContact NZ-OD1 2.73Å; K1043-D1046 PolarHBondContact NZ-OD1 2.76Å
1044G35.4Very low38.9Very low57 Ų57135.4 Ų135.459%0.58873%0.726SS**PPolyproline II helixtrans-51.9145.5176.400000110.6M1042 D1046M1042-G1044 PolarHBondContact O-N 2.83Å; M1042-G1044 VanDerWaalsContact O-N 3.11Å; G1044-D1046 PolarHBondContact O-N 3.36Å
1045L39.9Very low39.2Very low168 Ų168136.7 Ų136.788%0.8874%0.738SS**  trans-44.3133.8177.7-165.272.9000109.6H1047L1045-H1047 VanDerWaalsContact C-N 3.3Å; L1045-H1047 PolarHBondContact O-N 2.93Å
1046D38.8Very low39.1Very low122 Ų122140.7 Ų140.765%0.65275%0.753SS**  trans-5993.4-175.7-63.7-66.1000109.7K1043 G1044 D1048K1043-D1046 IonicContact NZ-OD1 2.73Å; K1043-D1046 PolarHBondContact NZ-OD1 2.76Å; G1044-D1046 PolarHBondContact O-N 3.36Å; D1046-D1048 PolarHBondContact O-N 2.96Å
1047H35.6Very low38.1Very low159 Ų159144.4 Ų144.474%0.73676%0.756SS**  trans-73124.7172.2-140.869.2000105.8L1045 H1049L1045-H1047 VanDerWaalsContact C-N 3.3Å; L1045-H1047 PolarHBondContact O-N 2.93Å; H1047-H1049 PolarHBondContact O-N 3.22Å
1048D35.2Very low37.5Very low149 Ų149143.1 Ų143.180%0.79776%0.756SS**  trans-62.484.6-179.2-71.8-61000110.3D1046 S1050D1046-D1048 PolarHBondContact O-N 2.96Å; D1048-S1050 PolarHBondContact O-N 3.39Å
1049H36.4Very low36.7Very low162 Ų162143.8 Ų143.875%0.7577%0.765SS**  trans-65.977.4155.7-66-39.3000106.6H1047 N1051H1047-H1049 PolarHBondContact O-N 3.22Å; H1049-N1051 PolarHBondContact O-N 2.94Å
1050S34.7Very low36.3Very low106 Ų106150.9 Ų150.974%0.74177%0.767SS**  trans-42.4111.7157.852.20000106.4D1048 G1052D1048-S1050 PolarHBondContact O-N 3.39Å; S1050-G1052 VanDerWaalsContact C-N 3.31Å; S1050-G1052 PolarHBondContact O-N 2.9Å
1051N34.6Very low36.3Very low152 Ų152148.7 Ų148.781%0.81377%0.77SS**  trans-59.2104.7176.4-94.8-4.8000106H1049 M1053H1049-N1051 PolarHBondContact O-N 2.94Å; N1051-M1053 PolarHBondContact O-N 2.88Å
1052G29.4Very low36.2Very low71 Ų71150.8 Ų150.873%0.73278%0.776SS**  trans-49.7113.1170.100000106.1S1050 S1054S1050-G1052 VanDerWaalsContact C-N 3.31Å; S1050-G1052 PolarHBondContact O-N 2.9Å; G1052-S1054 VanDerWaalsContact C-N 3.32Å; G1052-S1054 PolarHBondContact O-N 3.13Å
1053M33.4Very low36.2Very low173 Ų173147.4 Ų147.485%0.85277%0.768SS**  trans-58.998.5-171.6-72.8-92.2-77.800107.8N1051 Q1055N1051-M1053 PolarHBondContact O-N 2.88Å; M1053-Q1055 VanDerWaalsContact C-N 3.35Å; M1053-Q1055 PolarHBondContact O-N 3.45Å
1054S36.1Very low36.1Very low104 Ų104148.2 Ų148.273%0.72777%0.771SS**  trans-55.3108.6163.353.80000105G1052 E1056G1052-S1054 VanDerWaalsContact C-N 3.32Å; G1052-S1054 PolarHBondContact O-N 3.13Å; S1054-E1056 PolarHBondContact O-N 2.86Å
1055Q37.2Very low36.2Very low183 Ų183152.7 Ų152.786%0.85578%0.776SS**  trans-68.480.9179-66.3-174.46.900107.7M1053 R1057M1053-Q1055 VanDerWaalsContact C-N 3.35Å; M1053-Q1055 PolarHBondContact O-N 3.45Å; Q1055-R1057 VanDerWaalsContact C-N 3.31Å; Q1055-R1057 PolarHBondContact O-N 2.88Å
1056E37.1Very low36Very low173 Ų173150.2 Ų150.281%0.80877%0.768SS**  trans-57.3103.7162.8-100.3-164.215200105.9S1054 I1058S1054-E1056 PolarHBondContact O-N 2.86Å; E1056-I1058 PolarHBondContact O-N 3.28Å; E1056-I1058 VanDerWaalsContact O-N 3.15Å
1057R31.6Very low35.8Very low230 Ų230149.4 Ų149.487%0.86877%0.768SS**  trans-45.8125.4174.1-63.6176-177.9172.90.4107.1Q1055 S1059Q1055-R1057 VanDerWaalsContact C-N 3.31Å; Q1055-R1057 PolarHBondContact O-N 2.88Å; R1057-S1059 VanDerWaalsContact C-N 3.3Å; R1057-S1059 PolarHBondContact O-N 2.95Å
1058I38.8Very low35.7Very low164 Ų164145.9 Ų145.984%0.84177%0.766SS**  trans-48.596.5-176.2-60106.7000109.4E1056 R1060E1056-I1058 PolarHBondContact O-N 3.28Å; E1056-I1058 VanDerWaalsContact O-N 3.15Å; I1058-R1060 PolarHBondContact O-N 3.22Å
1059S35.7Very low35.7Very low101 Ų101144.2 Ų144.271%0.70676%0.762SS**  trans-70.1109.8178.554.50000105.2R1057R1057-S1059 VanDerWaalsContact C-N 3.3Å; R1057-S1059 PolarHBondContact O-N 2.95Å
1060R34.4Very low35.5Very low225 Ų225141 Ų14185%0.84976%0.757SS**  trans-36.8129.6174.9-79.8176.9159.8177.1-6.1108.6I1058 R1062I1058-R1060 PolarHBondContact O-N 3.22Å; R1060-R1062 PolarHBondContact O-N 3.48Å
1061P38.6Very low35.3Very low115 Ų115147.8 Ų147.875%0.74777%0.767SS**  trans-56.3105.5-171.121.6-33.1000109.4S1063P1061-S1063 PolarHBondContact O-N 2.88Å; P1061-S1063 VanDerWaalsContact O-N 3.11Å
1062R35.2Very low34.9Very low230 Ų230144.2 Ų144.287%0.86875%0.754SS**  trans-51.9124.8163.5-75.5177.866.1105.3-4104.9R1060 K1064R1060-R1062 PolarHBondContact O-N 3.48Å; R1062-K1064 PolarHBondContact O-N 3.14Å
1063S39.9Very low35.2Very low82 Ų82146.9 Ų146.957%0.57376%0.761SS**  trans-30.5116.3178.1170.30000109.5P1061 H1065P1061-S1063 PolarHBondContact O-N 2.88Å; P1061-S1063 VanDerWaalsContact O-N 3.11Å; S1063-H1065 PolarHBondContact O-CD2 3.25Å; S1063-H1065 VanDerWaalsContact O-CD2 3.29Å; S1063-H1065 PolarHBondContact O-N 3.27Å; S1063-H1065 PolarHBondContact OG-CD2 3.29Å; S1063-H1065 VanDerWaalsContact OG-CD2 3.31Å; S1063-H1065 PolarHBondContact OG-NE2 3.43Å
1064K39.2Very low34.8Very low187 Ų187141.7 Ų141.781%0.81375%0.752SS**  trans-68.773.5177.2-72.5-88.7-171.31740108.2R1062 T1066R1062-K1064 PolarHBondContact O-N 3.14Å; K1064-T1066 PolarHBondContact O-N 2.8Å
1065H37.8Very low34.4Very low150 Ų150146.9 Ų146.969%0.69476%0.757SS**  trans-63.278.3144.7-57.5-75.9000105.5S1063 T1067S1063-H1065 PolarHBondContact O-CD2 3.25Å; S1063-H1065 VanDerWaalsContact O-CD2 3.29Å; S1063-H1065 PolarHBondContact O-N 3.27Å; S1063-H1065 PolarHBondContact OG-CD2 3.29Å; S1063-H1065 VanDerWaalsContact OG-CD2 3.31Å; S1063-H1065 PolarHBondContact OG-NE2 3.43Å; H1065-T1067 PolarHBondContact O-N 2.92Å
1066T36.2Very low34Very low116 Ų116150 Ų15071%0.71276%0.763SS**  trans-70.666165.7174.10000107.7K1064 A1068K1064-T1066 PolarHBondContact O-N 2.8Å; T1066-A1068 PolarHBondContact O-N 3.28Å
1067T35.1Very low33.6Very low105 Ų105144.1 Ų144.164%0.64475%0.749SS**  trans-57.9108157.6-53.10000104.8H1065 T1069H1065-T1067 PolarHBondContact O-N 2.92Å; T1067-T1069 HydrophobicContact CG2-CG2 4.17Å; T1067-T1069 PolarHBondContact O-N 3.03Å
1068A34.4Very low33.9Very low85 Ų85141.2 Ų141.270%0.70275%0.749SS**  trans-73.365.5-18000000109.9T1066 S1070T1066-A1068 PolarHBondContact O-N 3.28Å; A1068-S1070 PolarHBondContact O-N 2.97Å
1069T33.9Very low33.9Very low115 Ų115141.6 Ų141.671%0.70675%0.753SS**  trans-77.772.1161.142.30000107.9T1067 R1071T1067-T1069 HydrophobicContact CG2-CG2 4.17Å; T1067-T1069 PolarHBondContact O-N 3.03Å; T1069-R1071 PolarHBondContact O-N 2.89Å
1070S32.8Very low34.1Very low93 Ų93139.5 Ų139.565%0.6575%0.747SS**  trans-67.480.6171.941.40000110.4A1068 S1072A1068-S1070 PolarHBondContact O-N 2.97Å; S1070-S1072 PolarHBondContact O-N 3.26Å; S1070-S1072 VanDerWaalsContact O-N 3.11Å
1071R29.1Very low34.7Very low250 Ų250131.2 Ų131.294%0.94372%0.724SS**  trans-76.643.6150.4-61.4-171.485.1-171.17.1109.8T1069 S1073T1069-R1071 PolarHBondContact O-N 2.89Å; R1071-S1073 PolarHBondContact O-N 2.98Å
1072S26.8Very low35.4Very low76 Ų76134.6 Ų134.653%0.53173%0.727SS.*  trans-87.1106.1171.754.20000108.1S1070 G1074S1070-S1072 PolarHBondContact O-N 3.26Å; S1070-S1072 VanDerWaalsContact O-N 3.11Å; S1072-G1074 PolarHBondContact O-N 2.79Å
1073S35.1Very low36.3Very low127 Ų127127.6 Ų127.689%0.88870%0.704SS**THydrogen-bonded Turntrans-52134.4163-171.60000109.5R1071R1071-S1073 PolarHBondContact O-N 2.98Å
1074G27Very low36.6Very low65 Ų65125.3 Ų125.367%0.6769%0.687SS**THydrogen-bonded Turntrans104.42.5161.100000119.8S1072S1072-G1074 PolarHBondContact O-N 2.79Å
1075Y26.8Very low37.3Very low213 Ų213120.6 Ų120.684%0.83567%0.671SS**  trans-103.889.1172.8-115.5-96.3000113.1G1077Y1075-G1077 PolarHBondContact O-N 3.32Å; Y1075-G1077 VanDerWaalsContact O-N 3.13Å
1076Y27.8Very low38.2Very low247 Ų247118.1 Ų118.197%0.96966%0.661SS**  trans-69.596.6161.6-89-101.5000109
1077G30.3Very low38.9Very low50 Ų50116.3 Ų116.352%0.51565%0.647SS.*  trans-174.1122.9177.200000112.1Y1075Y1075-G1077 PolarHBondContact O-N 3.32Å; Y1075-G1077 VanDerWaalsContact O-N 3.13Å
1078I37.5Very low39.6Very low169 Ų169114.7 Ų114.787%0.86764%0.64SS**  trans67.798.4-179-47.4163.8000112.1G1080I1078-G1080 PolarHBondContact O-N 2.77Å
1079N38.8Very low40.2Very low173 Ų173113.2 Ų113.293%0.92562%0.622SS**  trans-66.971.6166-75.4-20.4000110.4S1081N1079-S1081 PolarHBondContact O-N 3.12Å
1080G39.6Very low40.8Very low57 Ų57113.6 Ų113.659%0.58861%0.614SS**  trans-58.9107.7165.500000108.1I1078 K1082I1078-G1080 PolarHBondContact O-N 2.77Å; G1080-K1082 PolarHBondContact O-N 2.78Å; G1080-K1082 VanDerWaalsContact O-N 3.11Å
1081S46.9Very low41.4Very low51 Ų51116.5 Ų116.536%0.35761%0.611SS.*  trans-40.8119179.5174.30000110.9N1079 H1083 S1084N1079-S1081 PolarHBondContact O-N 3.12Å; S1081-H1083 PolarHBondContact O-N 3.06Å; S1081-H1083 PolarHBondContact OG-CD2 3.35Å; S1081-S1084 PolarHBondContact O-N 2.73Å
1082K54.2Low42.2Very low186 Ų186115 Ų11581%0.80961%0.605SS**THydrogen-bonded Turntrans-59.60.5-179.1-64.4-179.2180176.80113.6G1080G1080-K1082 PolarHBondContact O-N 2.78Å; G1080-K1082 VanDerWaalsContact O-N 3.11Å
1083H52.6Low43.1Very low83 Ų83114.3 Ų114.338%0.38460%0.598SS.*THydrogen-bonded Turntrans-109.7-5.1-170.4-26.6-45.6000112S1081 W1226 I1227S1081-H1083 PolarHBondContact O-N 3.06Å; S1081-H1083 PolarHBondContact OG-CD2 3.35Å; H1083-W1226 HydrophobicContact CB-CZ2 4.46Å; H1083-W1226 WeakPolarHBondContact O-CA 3.49Å; H1083-I1227 PolarHBondContact O-N 3.4Å
1084S47.4Very low43.5Very low33 Ų33114.6 Ų114.623%0.23159%0.589CS.*EExtended strand (participates in β ladder)trans-123.6120.5178.982.40000113.5S1081 R1224S1081-S1084 PolarHBondContact O-N 2.73Å; S1084-R1224 PolarHBondContact OG-NE 3.39Å; S1084-R1224 VanDerWaalsContact OG-NE 3.12Å; S1084-R1224 PolarHBondContact OG-NH2 3Å
1085L54Low44.5Very low89 Ų89115.6 Ų115.647%0.46659%0.585SS.*EExtended strand (participates in β ladder)trans-97.7133.1168179.965.2000109.5I1087 V1225 I1227L1085-I1087 HydrophobicContact CD2-CD1 4.34Å; L1085-I1087 HydrophobicContact CD2-CG1 4.04Å; L1085-I1087 HydrophobicContact CG-CG1 4.12Å; L1085-V1225 PolarHBondContact N-O 3.28Å; L1085-V1225 PolarHBondContact O-N 3.18Å; L1085-I1227 HydrophobicContact CB-CD1 3.72Å; L1085-I1227 HydrophobicContact CB-CG1 4.25Å; L1085-I1227 HydrophobicContact CD2-CD1 4.14Å
1086I55.2Low45.1Very low97 Ų97109 Ų10950%0.49758%0.581SS.*EExtended strand (participates in β ladder)trans-98.1109.3173.1-60.9171.9000108L1222 R1224I1086-L1222 HydrophobicContact CG2-CB 4.04Å; I1086-L1222 HydrophobicContact CG2-CD1 4.34Å; I1086-L1222 HydrophobicContact CG2-CD2 4.28Å; I1086-L1222 HydrophobicContact CG2-CG 4.45Å; I1086-R1224 HydrophobicContact CG1-CG 4.13Å
1087I51.6Low45.9Very low78 Ų78104.4 Ų104.440%0.457%0.573SS.*EExtended strand (participates in β ladder)trans-92.2113174.9-54.7-176.3000108.2L1085 S1223 V1225L1085-I1087 HydrophobicContact CD2-CD1 4.34Å; L1085-I1087 HydrophobicContact CD2-CG1 4.04Å; L1085-I1087 HydrophobicContact CG-CG1 4.12Å; I1087-S1223 PolarHBondContact N-O 2.99Å; I1087-S1223 PolarHBondContact O-N 3.49Å; I1087-V1225 HydrophobicContact CD1-CB 4.35Å; I1087-V1225 HydrophobicContact CD1-CG2 3.72Å; I1087-V1225 HydrophobicContact CG1-CG2 4.16Å
1088S49.4Very low46.4Very low72 Ų72105.9 Ų105.950%0.50357%0.572SS.*EExtended strand (participates in β ladder)trans-85.9117.5171.965.20000110K1090S1088-K1090 PolarHBondContact O-N 3.17Å
1089T47.3Very low46.4Very low53 Ų53102.1 Ų102.133%0.32558%0.575SS.*  trans-95.196.8177.1-50.10000108.9R1091 S1221T1089-R1091 HydrophobicContact CG2-CG 4.14Å; T1089-R1091 PolarHBondContact O-N 3.12Å; T1089-R1091 VanDerWaalsContact O-N 3.1Å; T1089-S1221 PolarHBondContact N-O 3.47Å
1090K46.4Very low46.5Very low124 Ų12498.8 Ų98.854%0.53956%0.561SS.*  trans-8379.6175.3-166.2178.9-172.1119.80110.7S1088 R1092 H1219S1088-K1090 PolarHBondContact O-N 3.17Å; K1090-R1092 PolarHBondContact O-N 3.17Å; K1090-H1219 PolarHBondContact NZ-NE2 2.85Å
1091R46.4Very low46.3Very low153 Ų153102.9 Ų102.958%0.57757%0.565SS**  trans-78.4108162.6-71.5-166.9-66.3-140.73.3108.2T1089 T1093 E1220T1089-R1091 HydrophobicContact CG2-CG 4.14Å; T1089-R1091 PolarHBondContact O-N 3.12Å; T1089-R1091 VanDerWaalsContact O-N 3.1Å; R1091-T1093 PolarHBondContact O-N 3.02Å; R1091-E1220 HydrophobicContact CB-CG 4.12Å; R1091-E1220 IonicContact CZ-OE1 3.21Å; R1091-E1220 IonicContact NE-OE1 2.71Å; R1091-E1220 PolarHBondContact NE-OE1 2.78Å; R1091-E1220 IonicContact NH2-OE1 3.35Å; R1091-E1220 PolarHBondContact NH2-OE1 3.03Å
1092R45.9Very low46.2Very low220 Ų220106.6 Ų106.683%0.8359%0.587SS**  trans-60.8100.1165.9-85.4-179.4169.7150.4-5.2107.7K1090 L1094K1090-R1092 PolarHBondContact O-N 3.17Å; R1092-L1094 PolarHBondContact O-N 2.97Å
1093T44.7Very low45.6Very low61 Ų61101.6 Ų101.637%0.37458%0.576SS.*  trans-66.9121.9165.552.90000107.6R1091 S1095 G1096R1091-T1093 PolarHBondContact O-N 3.02Å; T1093-S1095 WeakPolarHBondContact CB-OG 3.29Å; T1093-S1095 PolarHBondContact O-N 3.31Å; T1093-S1095 PolarHBondContact OG1-OG 2.87Å; T1093-G1096 PolarHBondContact O-N 2.93Å
1094L44.1Very low45Very low133 Ų133106.3 Ų106.370%0.69660%0.595SS**G310 helixtrans-63.8-6.4-178.8-72.5170.2000113.3R1092 G1096 L1097R1092-L1094 PolarHBondContact O-N 2.97Å; L1094-G1096 PolarHBondContact O-N 3.12Å; L1094-L1097 HydrophobicContact CD2-CD1 4.11Å; L1094-L1097 PolarHBondContact O-N 2.66Å
1095S47.6Very low44.8Very low85 Ų85112.8 Ų112.859%0.59462%0.622SS**G310 helixtrans-52.5-18.7168.858.30000114.7T1093T1093-S1095 WeakPolarHBondContact CB-OG 3.29Å; T1093-S1095 PolarHBondContact O-N 3.31Å; T1093-S1095 PolarHBondContact OG1-OG 2.87Å
1096G38.6Very low43.9Very low74 Ų74118.3 Ų118.376%0.76364%0.636SS**G310 helixtrans-77.1-19.3174.100000115.3T1093 L1094T1093-G1096 PolarHBondContact O-N 2.93Å; L1094-G1096 PolarHBondContact O-N 3.12Å
1097L45.4Very low43.1Very low151 Ų151117.5 Ų117.579%0.79164%0.639SS**THydrogen-bonded Turntrans-94.9-14.6-179.3-80.4166.7000113.6L1094L1094-L1097 HydrophobicContact CD2-CD1 4.11Å; L1094-L1097 PolarHBondContact O-N 2.66Å
1098T40.7Very low42.7Very low82 Ų82119.7 Ų119.750%0.50366%0.661SS.*  trans-128.597.7174.955.30000109.5T1100T1098-T1100 PolarHBondContact O-N 3.07Å
1099G38.5Very low42.1Very low90 Ų90119.8 Ų119.893%0.92866%0.662SS**  trans-61.6-3.717100000114.1H1101G1099-H1101 PolarHBondContact O-N 3.43Å
1100T39.5Very low41.8Very low102 Ų102122.6 Ų122.663%0.62667%0.673SS**SBendtrans-78.3104.2167.754.40000110.5T1098T1098-T1100 PolarHBondContact O-N 3.07Å
1101H37Very low41.8Very low144 Ų144124.5 Ų124.567%0.66769%0.689SS**  trans-43.3135.1162.9-169.1-93000110.4G1099 S1103G1099-H1101 PolarHBondContact O-N 3.43Å; H1101-S1103 WeakPolarHBondContact ND1-CB 3.31Å; H1101-S1103 PolarHBondContact ND1-OG 2.88Å; H1101-S1103 PolarHBondContact O-N 3.27Å
1102P44.1Very low41.6Very low128 Ų128119.8 Ų119.883%0.83168%0.677SS**THydrogen-bonded Turntrans-71.626.7-168.928.7-36.5000115.2
1103S41.1Very low41.6Very low82 Ų82115.5 Ų115.557%0.57367%0.67SS**THydrogen-bonded Turntrans-103.82.9-175.959.80000115.1H1101H1101-S1103 WeakPolarHBondContact ND1-CB 3.31Å; H1101-S1103 PolarHBondContact ND1-OG 2.88Å; H1101-S1103 PolarHBondContact O-N 3.27Å
1104K40.8Very low41.4Very low181 Ų181120.4 Ų120.479%0.78768%0.682SS**SBendtrans-110-9.4-178-72.2-167.5176.2-175.10116.5
1105H41.6Very low41.3Very low169 Ų169121.1 Ų121.178%0.78268%0.68SS**  trans-119.969.2168.7-68-78.6000110.9S1107H1105-S1107 PolarHBondContact O-N 3.38Å
1106R36.5Very low41.9Very low206 Ų206119.8 Ų119.878%0.77768%0.68SS**  trans-74.273.8152.7-103.8-171.2174.2-170.8-1.1108.1M1110R1106-M1110 PolarHBondContact NH1-SD 3.29Å; R1106-M1110 VanDerWaalsContact NH1-SD 3.44Å
1107S37.9Very low43.2Very low79 Ų79123.4 Ų123.455%0.55268%0.681SS**  trans-55.2144.3161.1-57.40000108.3H1105 S1109H1105-S1107 PolarHBondContact O-N 3.38Å; S1107-S1109 PolarHBondContact O-N 3.43Å
1108S42.4Very low42.9Very low124 Ų124122.3 Ų122.387%0.86767%0.672SS**SBendtrans-70.913.3-164.159.50000116M1110S1108-M1110 PolarHBondContact O-N 2.88Å
1109S37.8Very low43.1Very low75 Ų75121.9 Ų121.952%0.52467%0.671SS.*  trans-74.349170.6650000112.4S1107 N1111S1107-S1109 PolarHBondContact O-N 3.43Å; S1109-N1111 PolarHBondContact O-N 2.93Å
1110M41.7Very low43.4Very low112 Ų112120.2 Ų120.255%0.55264%0.642SS**THydrogen-bonded Turntrans-75.2-5.9180-85.2-144.163.600114.5R1106 S1108R1106-M1110 PolarHBondContact NH1-SD 3.29Å; R1106-M1110 VanDerWaalsContact NH1-SD 3.44Å; S1108-M1110 PolarHBondContact O-N 2.88Å
1111N46Very low43.9Very low164 Ų164118.7 Ų118.788%0.87763%0.634SS**THydrogen-bonded Turntrans-103.81.8-178.9-79.9-2.5000114.8S1109S1109-N1111 PolarHBondContact O-N 2.93Å
1112T42.3Very low44.6Very low54 Ų54115 Ų11533%0.33163%0.625SS.*  trans-109.796.4179.4-38.70000109.4W1114 P1119T1112-W1114 PolarHBondContact O-N 3.47Å; T1112-P1119 HydrophobicContact CG2-CB 3.33Å
1113L45.6Very low45.2Very low129 Ų129117.5 Ų117.568%0.67563%0.625SS**  trans-62.2134.2161.2-115.270.6000107.7V1120L1113-V1120 HydrophobicContact CB-CG2 3.98Å; L1113-V1120 WeakPolarHBondContact O-CB 3.4Å; L1113-V1120 WeakPolarHBondContact O-CG2 3.39Å; L1113-V1120 PolarHBondContact O-N 2.83Å
1114W41.3Very low45.8Very low164 Ų164125.4 Ų125.462%0.62164%0.643SS**EExtended strand (participates in β ladder)trans-98.6129.2177.4-71.370.3000109.5T1112T1112-W1114 PolarHBondContact O-N 3.47Å
1115F40.1Very low46.3Very low148 Ų148121 Ų12165%0.64963%0.631SS**EExtended strand (participates in β ladder)trans-105.990.9165.7-81.7-61.6000108.4H1118 V1120F1115-H1118 PolarHBondContact N-O 3.14Å; F1115-V1120 HydrophobicContact CD2-CG2 3.36Å; F1115-V1120 HydrophobicContact CE2-CG2 3.59Å; F1115-V1120 HydrophobicContact CG-CG2 4.41Å
1116G61.3Low46.5Very low58 Ų58116.7 Ų116.760%0.59861%0.613SS**THydrogen-bonded Turntrans64.5-140.4-169.500000110.9H1118G1116-H1118 PolarHBondContact O-N 2.88Å; G1116-H1118 VanDerWaalsContact O-N 3.16Å
1117D65.5Low46.9Very low149 Ų149109.9 Ų109.980%0.79760%0.597SS**THydrogen-bonded Turntrans-80.414-176.7-56.3-33.4000113.7
1118H38.4Very low47.7Very low129 Ų129112.8 Ų112.860%0.59761%0.614SS**EExtended strand (participates in β ladder)trans-123.5134.9179.7-63.7-30.3000112F1115 G1116F1115-H1118 PolarHBondContact N-O 3.14Å; G1116-H1118 PolarHBondContact O-N 2.88Å; G1116-H1118 VanDerWaalsContact O-N 3.16Å
1119P46.6Very low48.1Very low73 Ų73111 Ų11147%0.47461%0.607SS.*EExtended strand (participates in β ladder)trans-67141.9171.829.8-34.8000110.2T1112 P1121T1112-P1119 HydrophobicContact CG2-CB 3.33Å; P1119-P1121 WeakPolarHBondContact O-CD 3.5Å
1120V44.5Very low48.8Very low54 Ų54111.1 Ų111.133%0.32760%0.604SS.*PPolyproline II helixtrans-56.1125.9165.9164.90000109L1113 F1115 S1122L1113-V1120 HydrophobicContact CB-CG2 3.98Å; L1113-V1120 WeakPolarHBondContact O-CB 3.4Å; L1113-V1120 WeakPolarHBondContact O-CG2 3.39Å; L1113-V1120 PolarHBondContact O-N 2.83Å; F1115-V1120 HydrophobicContact CD2-CG2 3.36Å; F1115-V1120 HydrophobicContact CE2-CG2 3.59Å; F1115-V1120 HydrophobicContact CG-CG2 4.41Å; V1120-S1122 PolarHBondContact O-N 3.48Å
1121P49.7Very low49.4Very low71 Ų71111.2 Ų111.246%0.46161%0.614SS.*PPolyproline II helixtrans-59124.8171.7-22.633.4000110.1P1119 L1126P1119-P1121 WeakPolarHBondContact O-CD 3.5Å; P1121-L1126 HydrophobicContact CB-CD2 4.05Å; P1121-L1126 HydrophobicContact CB-CG 4.33Å
1122S51.6Low50.1Low67 Ų67108.1 Ų108.147%0.46960%0.601SS.*PPolyproline II helixtrans-58.5153.9171.774.20000111V1120 R1124 T1125 L1126V1120-S1122 PolarHBondContact O-N 3.48Å; S1122-R1124 PolarHBondContact O-N 3.15Å; S1122-R1124 VanDerWaalsContact O-N 3.16Å; S1122-T1125 PolarHBondContact N-OG1 2.8Å; S1122-T1125 PolarHBondContact O-N 2.62Å; S1122-T1125 PolarHBondContact O-OG1 2.9Å; S1122-T1125 PolarHBondContact OG-N 2.95Å; S1122-T1125 PolarHBondContact OG-OG1 3.36Å; S1122-L1126 PolarHBondContact O-N 3.06Å
1123E57Low51.3Low180 Ų180117.1 Ų117.184%0.84163%0.628SS**G310 helixtrans-58.4-31178.2-64.2179.8166.400112.4T1125 L1126E1123-T1125 VanDerWaalsContact C-N 3.27Å; E1123-T1125 PolarHBondContact O-N 3.07Å; E1123-L1126 PolarHBondContact O-N 3.08Å
1124R53.9Low52.5Low247 Ų247114.2 Ų114.293%0.93261%0.613SS**G310 helixtrans-66.9-21.6173.2-81.7-173.5171.4-178.6-3.4114.7S1122S1122-R1124 PolarHBondContact O-N 3.15Å; S1122-R1124 VanDerWaalsContact O-N 3.16Å
1125T51.3Low54.3Low88 Ų88108.7 Ų108.754%0.5460%0.599SS.*G310 helixtrans-90.1-10.217529.40000113.3S1122 E1123 S1127S1122-T1125 PolarHBondContact N-OG1 2.8Å; S1122-T1125 PolarHBondContact O-N 2.62Å; S1122-T1125 PolarHBondContact O-OG1 2.9Å; S1122-T1125 PolarHBondContact OG-N 2.95Å; S1122-T1125 PolarHBondContact OG-OG1 3.36Å; E1123-T1125 VanDerWaalsContact C-N 3.27Å; E1123-T1125 PolarHBondContact O-N 3.07Å; T1125-S1127 VanDerWaalsContact C-N 3.34Å; T1125-S1127 PolarHBondContact O-N 3.37Å
1126L45.4Very low56.3Low80 Ų80107.6 Ų107.642%0.41960%0.6SS.*  trans-90.370.6176.4-64.6176.1000110.1P1121 S1122 E1123 V1132P1121-L1126 HydrophobicContact CB-CD2 4.05Å; P1121-L1126 HydrophobicContact CB-CG 4.33Å; S1122-L1126 PolarHBondContact O-N 3.06Å; E1123-L1126 PolarHBondContact O-N 3.08Å; L1126-V1132 HydrophobicContact CD2-CG2 4.06Å
1127S44.4Very low57.2Low63 Ų63111.1 Ų111.144%0.44160%0.604SS.*  trans-57.8130.1160.7176.20000108.3T1125 A1129 T1130T1125-S1127 VanDerWaalsContact C-N 3.34Å; T1125-S1127 PolarHBondContact O-N 3.37Å; S1127-A1129 PolarHBondContact O-N 2.9Å; S1127-T1130 PolarHBondContact O-N 3.22Å; S1127-T1130 PolarHBondContact O-OG1 3.47Å
1128P54.6Low57.9Low139 Ų139108.3 Ų108.390%0.90359%0.586SS**THydrogen-bonded Turntrans-56.8-17.2179.3-27.135.3000114.3
1129A51.5Low59.8Low86 Ų86106.4 Ų106.471%0.71158%0.579SS**THydrogen-bonded Turntrans-83.3-15.9177.900000114.7S1127 P1131S1127-A1129 PolarHBondContact O-N 2.9Å; A1129-P1131 VanDerWaalsContact O-CD 3.29Å; A1129-P1131 WeakPolarHBondContact O-CD 3.42Å
1130T53.2Low61.4Low78 Ų78109.2 Ų109.248%0.47959%0.586SS.*SBendtrans-95.6107.3-179.5490000111.2S1127 V1132S1127-T1130 PolarHBondContact O-N 3.22Å; S1127-T1130 PolarHBondContact O-OG1 3.47Å; T1130-V1132 PolarHBondContact O-N 3.43Å
1131P52.5Low63.1Low115 Ų115109.1 Ų109.175%0.74759%0.591SS**  trans-63.6128.7175.326.1-33.5000109.9A1129 R1133A1129-P1131 VanDerWaalsContact O-CD 3.29Å; A1129-P1131 WeakPolarHBondContact O-CD 3.42Å; P1131-R1133 PolarHBondContact O-N 2.79Å
1132V61Low64.4Low99 Ų99110.3 Ų110.360%0.659%0.591SS**  trans-58.8108.8176.7178.80000108.6L1126 T1130 L1134L1126-V1132 HydrophobicContact CD2-CG2 4.06Å; T1130-V1132 PolarHBondContact O-N 3.43Å; V1132-L1134 HydrophobicContact CG1-CD2 4.5Å; V1132-L1134 PolarHBondContact O-N 2.81Å
1133R67.6Low65.6Low243 Ų243108.8 Ų108.892%0.91758%0.582SS**  trans-69.493.5175.3-83.5-177.1143.5134.1-4.9109.3P1131P1131-R1133 PolarHBondContact O-N 2.79Å
1134L72.4Confident66.6Low68 Ų68103.2 Ų103.236%0.35656%0.556SS.*  trans-58.4137.4167.4-63.2-179.3000109.6V1132 Q1138 I1139V1132-L1134 HydrophobicContact CG1-CD2 4.5Å; V1132-L1134 PolarHBondContact O-N 2.81Å; L1134-Q1138 HydrophobicContact CB-CB 4.03Å; L1134-Q1138 HydrophobicContact CD2-CB 4.28Å; L1134-I1139 HydrophobicContact CB-CD1 4.35Å; L1134-I1139 HydrophobicContact CB-CG1 3.77Å; L1134-I1139 HydrophobicContact CD1-CG1 4.45Å
1135S79Confident67.4Low47 Ų4796 Ų9633%0.32954%0.535SS..  trans-63.6156.4169.463.40000110.9I1137 Q1138 I1139S1135-I1137 PolarHBondContact O-N 3.27Å; S1135-I1137 VanDerWaalsContact O-N 3.09Å; S1135-Q1138 WeakPolarHBondContact O-CB 3.34Å; S1135-Q1138 PolarHBondContact O-N 3.23Å; S1135-Q1138 WeakPolarHBondContact OG-CG 3.4Å; S1135-Q1138 PolarHBondContact OG-N 3.37Å; S1135-Q1138 PolarHBondContact OG-OE1 3.5Å; S1135-I1139 PolarHBondContact O-N 3.39Å
1136N80.5Confident68.6Low126 Ų12695.9 Ų95.967%0.67453%0.529SS*.Hα-helixtrans-54.1-33.6177.7-70.3-15.3000112.7I1139 Q1140N1136-I1139 PolarHBondContact O-N 3.24Å; N1136-Q1140 WeakPolarHBondContact O-CB 3.47Å; N1136-Q1140 VanDerWaalsContact O-CG 3.3Å; N1136-Q1140 WeakPolarHBondContact O-CG 3.4Å; N1136-Q1140 PolarHBondContact O-N 3.11Å
1137I80.6Confident69.6Low131 Ų13198.6 Ų98.667%0.67253%0.533SS*.Hα-helixtrans-67.8-41.9176.6-64.7169.6000111.2S1135 Q1140 A1141S1135-I1137 PolarHBondContact O-N 3.27Å; S1135-I1137 VanDerWaalsContact O-N 3.09Å; I1137-Q1140 PolarHBondContact O-N 2.97Å; I1137-A1141 WeakPolarHBondContact O-CB 3.4Å; I1137-A1141 PolarHBondContact O-N 3.26Å
1138Q79.8Confident70.7Confident90 Ų90103 Ų10342%0.42154%0.54SS..Hα-helixtrans-65.7-41.3175.8-74.1163.4-47.400111.5L1134 S1135 A1141 Q1142L1134-Q1138 HydrophobicContact CB-CB 4.03Å; L1134-Q1138 HydrophobicContact CD2-CB 4.28Å; S1135-Q1138 WeakPolarHBondContact O-CB 3.34Å; S1135-Q1138 PolarHBondContact O-N 3.23Å; S1135-Q1138 WeakPolarHBondContact OG-CG 3.4Å; S1135-Q1138 PolarHBondContact OG-N 3.37Å; S1135-Q1138 PolarHBondContact OG-OE1 3.5Å; Q1138-A1141 PolarHBondContact O-N 2.75Å; Q1138-Q1142 WeakPolarHBondContact O-CB 3.38Å; Q1138-Q1142 PolarHBondContact O-N 2.76Å
1139I78.3Confident71Confident89 Ų89103.2 Ų103.246%0.45653%0.529SS..Hα-helixtrans-62.1-44.1175.5-62.3170.7000110.5L1134 S1135 N1136 Q1142 A1143L1134-I1139 HydrophobicContact CB-CD1 4.35Å; L1134-I1139 HydrophobicContact CB-CG1 3.77Å; L1134-I1139 HydrophobicContact CD1-CG1 4.45Å; S1135-I1139 PolarHBondContact O-N 3.39Å; N1136-I1139 PolarHBondContact O-N 3.24Å; I1139-Q1142 PolarHBondContact O-N 2.93Å; I1139-A1143 VanDerWaalsContact O-CB 3.31Å; I1139-A1143 WeakPolarHBondContact O-CB 3.29Å; I1139-A1143 PolarHBondContact O-N 3.43Å
1140Q80Confident71.3Confident133 Ų133108.9 Ų108.962%0.62153%0.532SS*.Hα-helixtrans-64.2-42.3175.9-75.6176.72.500112.6N1136 I1137 A1143 E1144N1136-Q1140 WeakPolarHBondContact O-CB 3.47Å; N1136-Q1140 VanDerWaalsContact O-CG 3.3Å; N1136-Q1140 WeakPolarHBondContact O-CG 3.4Å; N1136-Q1140 PolarHBondContact O-N 3.11Å; I1137-Q1140 PolarHBondContact O-N 2.97Å; Q1140-A1143 PolarHBondContact O-N 2.69Å; Q1140-E1144 VanDerWaalsContact O-CB 3.27Å; Q1140-E1144 WeakPolarHBondContact O-CB 3.47Å; Q1140-E1144 PolarHBondContact O-N 3.48Å
1141A81.1Confident71.1Confident52 Ų52109 Ų10943%0.4354%0.536SS..Hα-helixtrans-64.9-41.4177.500000111.9I1137 Q1138 E1144 L1145I1137-A1141 WeakPolarHBondContact O-CB 3.4Å; I1137-A1141 PolarHBondContact O-N 3.26Å; Q1138-A1141 PolarHBondContact O-N 2.75Å; A1141-E1144 PolarHBondContact O-N 2.94Å; A1141-L1145 WeakPolarHBondContact O-CG 3.22Å; A1141-L1145 PolarHBondContact O-N 3.01Å
1142Q76.4Confident70.8Confident96 Ų96107.8 Ų107.845%0.44953%0.53SS..Hα-helixtrans-67-45.7176-172.5178.9-29.300111.4Q1138 I1139 E1144 L1145 E1146Q1138-Q1142 WeakPolarHBondContact O-CB 3.38Å; Q1138-Q1142 PolarHBondContact O-N 2.76Å; I1139-Q1142 PolarHBondContact O-N 2.93Å; Q1142-E1144 PolarHBondContact O-N 2.97Å; Q1142-L1145 PolarHBondContact O-N 2.86Å; Q1142-E1146 PolarHBondContact NE2-OE1 3.04Å; Q1142-E1146 WeakPolarHBondContact O-CG 3.09Å; Q1142-E1146 PolarHBondContact O-N 3.06Å
1143A77.2Confident70.1Confident35 Ų35108.6 Ų108.629%0.28954%0.54SS..Hα-helixtrans-60.5-3317500000112.6I1139 Q1140 R1147I1139-A1143 VanDerWaalsContact O-CB 3.31Å; I1139-A1143 WeakPolarHBondContact O-CB 3.29Å; I1139-A1143 PolarHBondContact O-N 3.43Å; Q1140-A1143 PolarHBondContact O-N 2.69Å; A1143-R1147 WeakPolarHBondContact O-CG 3.49Å; A1143-R1147 PolarHBondContact O-N 3.16Å
1144E78.9Confident68.9Low63 Ų63104.4 Ų104.429%0.29453%0.531SS..Hα-helixtrans-71.6-40.4174.7178.257.2-162.800112.8Q1140 A1141 Q1142 R1147 R1148Q1140-E1144 VanDerWaalsContact O-CB 3.27Å; Q1140-E1144 WeakPolarHBondContact O-CB 3.47Å; Q1140-E1144 PolarHBondContact O-N 3.48Å; A1141-E1144 PolarHBondContact O-N 2.94Å; Q1142-E1144 PolarHBondContact O-N 2.97Å; E1144-R1147 PolarHBondContact O-N 2.96Å; E1144-R1147 IonicContact OE2-CZ 3.36Å; E1144-R1147 VanDerWaalsContact OE2-CZ 3.29Å; E1144-R1147 IonicContact OE2-NE 3.75Å; E1144-R1147 PolarHBondContact OE2-NE 3.49Å; E1144-R1147 IonicContact OE2-NH2 3.97Å; E1144-R1147 PolarHBondContact OE2-NH2 3.33Å; E1144-R1148 VanDerWaalsContact O-CG 3.3Å; E1144-R1148 WeakPolarHBondContact O-CG 3.48Å; E1144-R1148 PolarHBondContact O-N 2.72Å; E1144-R1148 IonicContact OE1-CZ 3.74Å; E1144-R1148 VanDerWaalsContact OE1-CZ 3.25Å; E1144-R1148 IonicContact OE1-NE 2.62Å; E1144-R1148 PolarHBondContact OE1-NE 3.34Å; E1144-R1148 IonicContact OE1-NH2 3.81Å; E1144-R1148 PolarHBondContact OE1-NH2 3.12Å
1145L69.5Low67.4Low94 Ų94103.8 Ų103.849%0.49254%0.541SS..Hα-helixtrans-63.4-44.2171.3-71171.6000111.2A1141 Q1142 R1147 R1148 H1149A1141-L1145 WeakPolarHBondContact O-CG 3.22Å; A1141-L1145 PolarHBondContact O-N 3.01Å; Q1142-L1145 PolarHBondContact O-N 2.86Å; L1145-R1147 PolarHBondContact O-N 3.26Å; L1145-R1148 WeakPolarHBondContact O-CB 3.17Å; L1145-R1148 PolarHBondContact O-N 2.8Å; L1145-R1148 VanDerWaalsContact O-N 3.15Å; L1145-H1149 PolarHBondContact O-CD2 3.45Å; L1145-H1149 PolarHBondContact O-N 3.21Å
1146E75.8Confident65.4Low86 Ų86108.8 Ų108.840%0.40256%0.559SS.*Hα-helixtrans-62.7-39.4176.7-73.3179.1-153.700112.3Q1142 H1149 R1150Q1142-E1146 PolarHBondContact NE2-OE1 3.04Å; Q1142-E1146 WeakPolarHBondContact O-CG 3.09Å; Q1142-E1146 PolarHBondContact O-N 3.06Å; E1146-H1149 PolarHBondContact O-N 3.21Å; E1146-R1150 WeakPolarHBondContact O-CB 3.37Å; E1146-R1150 WeakPolarHBondContact O-CG 3.22Å; E1146-R1150 PolarHBondContact O-N 2.89Å
1147R68Low63.5Low137 Ų137106.7 Ų106.752%0.51755%0.554SS.*Hα-helixtrans-58.1-47.8170.3-81.1-172.3-65.2-94.93.8111.5A1143 E1144 L1145 H1149 R1150 S1151A1143-R1147 WeakPolarHBondContact O-CG 3.49Å; A1143-R1147 PolarHBondContact O-N 3.16Å; E1144-R1147 PolarHBondContact O-N 2.96Å; E1144-R1147 IonicContact OE2-CZ 3.36Å; E1144-R1147 VanDerWaalsContact OE2-CZ 3.29Å; E1144-R1147 IonicContact OE2-NE 3.75Å; E1144-R1147 PolarHBondContact OE2-NE 3.49Å; E1144-R1147 IonicContact OE2-NH2 3.97Å; E1144-R1147 PolarHBondContact OE2-NH2 3.33Å; L1145-R1147 PolarHBondContact O-N 3.26Å; R1147-H1149 PolarHBondContact O-N 2.79Å; R1147-R1150 PolarHBondContact O-N 3Å; R1147-S1151 WeakPolarHBondContact O-CB 3.47Å; R1147-S1151 PolarHBondContact O-N 3.22Å; R1147-S1151 PolarHBondContact O-OG 3.25Å; R1147-S1151 VanDerWaalsContact O-OG 3.08Å
1148R66.6Low61.8Low157 Ų157108.1 Ų108.159%0.59256%0.562SS**Hα-helixtrans-60.9-43179.1-69.8167.3-171.2-150.10.6112.4E1144 L1145 S1151 S1152E1144-R1148 VanDerWaalsContact O-CG 3.3Å; E1144-R1148 WeakPolarHBondContact O-CG 3.48Å; E1144-R1148 PolarHBondContact O-N 2.72Å; E1144-R1148 IonicContact OE1-CZ 3.74Å; E1144-R1148 VanDerWaalsContact OE1-CZ 3.25Å; E1144-R1148 IonicContact OE1-NE 2.62Å; E1144-R1148 PolarHBondContact OE1-NE 3.34Å; E1144-R1148 IonicContact OE1-NH2 3.81Å; E1144-R1148 PolarHBondContact OE1-NH2 3.12Å; L1145-R1148 WeakPolarHBondContact O-CB 3.17Å; L1145-R1148 PolarHBondContact O-N 2.8Å; L1145-R1148 VanDerWaalsContact O-N 3.15Å; R1148-S1151 PolarHBondContact O-N 3.13Å; R1148-S1152 PolarHBondContact O-N 3.08Å
1149H61.1Low60.1Low142 Ų142110 Ų11066%0.65758%0.575SS**Hα-helixtrans-67.5-38.8176.9-69.4-58.9000112.5L1145 E1146 R1147 S1151 S1152L1145-H1149 PolarHBondContact O-CD2 3.45Å; L1145-H1149 PolarHBondContact O-N 3.21Å; E1146-H1149 PolarHBondContact O-N 3.21Å; R1147-H1149 PolarHBondContact O-N 2.79Å; H1149-S1151 VanDerWaalsContact C-N 3.32Å; H1149-S1151 PolarHBondContact O-N 2.72Å; H1149-S1152 VanDerWaalsContact O-CB 3.24Å; H1149-S1152 WeakPolarHBondContact O-CB 3.35Å; H1149-S1152 PolarHBondContact O-N 3.43Å
1150R57.9Low58.3Low205 Ų205114.9 Ų114.977%0.77459%0.588SS**Hα-helixtrans-69.9-25.7175.1-70.7180-174.4-146.74.2113.4E1146 R1147 S1152E1146-R1150 WeakPolarHBondContact O-CB 3.37Å; E1146-R1150 WeakPolarHBondContact O-CG 3.22Å; E1146-R1150 PolarHBondContact O-N 2.89Å; R1147-R1150 PolarHBondContact O-N 3Å; R1150-S1152 VanDerWaalsContact C-N 3.32Å
1151S48Very low56.2Low82 Ų82117 Ų11757%0.57360%0.595SS**THydrogen-bonded Turntrans-865.6175-59.40000114.4R1147 R1148 H1149 S1153R1147-S1151 WeakPolarHBondContact O-CB 3.47Å; R1147-S1151 PolarHBondContact O-N 3.22Å; R1147-S1151 PolarHBondContact O-OG 3.25Å; R1147-S1151 VanDerWaalsContact O-OG 3.08Å; R1148-S1151 PolarHBondContact O-N 3.13Å; H1149-S1151 VanDerWaalsContact C-N 3.32Å; H1149-S1151 PolarHBondContact O-N 2.72Å; S1151-S1153 PolarHBondContact O-N 3.17Å
1152S47.2Very low54.1Low88 Ų88118.3 Ų118.362%0.61560%0.601SS**THydrogen-bonded Turntrans-69.51.9-176.1-1700000115.2R1148 H1149 R1150R1148-S1152 PolarHBondContact O-N 3.08Å; H1149-S1152 VanDerWaalsContact O-CB 3.24Å; H1149-S1152 WeakPolarHBondContact O-CB 3.35Å; H1149-S1152 PolarHBondContact O-N 3.43Å; R1150-S1152 VanDerWaalsContact C-N 3.32Å
1153S45.3Very low52.2Low117 Ų117119.6 Ų119.682%0.81862%0.615SS**THydrogen-bonded Turntrans-87.72.2-179.865.40000114.6S1151S1151-S1153 PolarHBondContact O-N 3.17Å
1154H43.3Very low50.1Low154 Ų154128.4 Ų128.471%0.71364%0.642SS**SBendtrans-132.4119.2172.3-157.571000109.7H1156H1154-H1156 PolarHBondContact O-N 2.89Å
1155G40.5Very low47.8Very low55 Ų55130 Ų13057%0.56766%0.66SS**  trans-54.6138.2-170.500000112.7
1156H36.6Very low46Very low153 Ų153132.4 Ų132.471%0.70868%0.679SS**  trans-54.9143.1171.9-58.3-57.6000109.6H1154 L1158 D1159H1154-H1156 PolarHBondContact O-N 2.89Å; H1156-L1158 PolarHBondContact O-N 3.14Å; H1156-D1159 PolarHBondContact O-N 3.15Å
1157S41.6Very low43.6Very low82 Ų82130.5 Ų130.557%0.57368%0.682SS**THydrogen-bonded Turntrans-63.86.5-170.857.70000116
1158L45.6Very low41.8Very low160 Ų160132 Ų13284%0.83870%0.698SS**THydrogen-bonded Turntrans-89-22172.6-59.9178.4000113H1156 R1160H1156-L1158 PolarHBondContact O-N 3.14Å; L1158-R1160 PolarHBondContact O-N 2.75Å
1159D44Very low40.3Very low131 Ų131130.5 Ų130.570%0.70171%0.706SS**SBendtrans-76.3-4.7173.4-90.6-27.5000113.2H1156 K1161H1156-D1159 PolarHBondContact O-N 3.15Å; D1159-K1161 PolarHBondContact O-N 2.84Å
1160R39.5Very low38.8Very low191 Ų191129.8 Ų129.872%0.72170%0.703SS**  trans-71.973.8161.9-72.6-165.6-75.5-131.52.9109.9L1158 S1162L1158-R1160 PolarHBondContact O-N 2.75Å; R1160-S1162 PolarHBondContact O-N 2.94Å; R1160-S1162 VanDerWaalsContact O-N 3.15Å
1161K36.1Very low37.4Very low178 Ų178124.5 Ų124.577%0.77470%0.697SS**  trans-42.9119.5155.7-66.1170.4177.1175.90107.4D1159 V1163D1159-K1161 PolarHBondContact O-N 2.84Å; K1161-V1163 PolarHBondContact O-N 2.75Å
1162S36.4Very low36.5Very low79 Ų79127.9 Ų127.955%0.55270%0.704SS**  trans-61.2107.9175.3-176.90000108.5R1160 Y1164 S1165R1160-S1162 PolarHBondContact O-N 2.94Å; R1160-S1162 VanDerWaalsContact O-N 3.15Å; S1162-Y1164 PolarHBondContact O-N 2.75Å; S1162-Y1164 PolarHBondContact OG-N 3.19Å; S1162-Y1164 PolarHBondContact OG-O 2.82Å; S1162-S1165 PolarHBondContact O-N 3.03Å
1163V38Very low36.1Very low122 Ų122131.2 Ų131.274%0.73971%0.714SS**SBendtrans-66.6-20.3173.5-1700000109.9K1161 S1165 T1166K1161-V1163 PolarHBondContact O-N 2.75Å; V1163-S1165 PolarHBondContact O-N 3.34Å; V1163-T1166 PolarHBondContact O-OG1 3.48Å
1164Y32.7Very low35.5Very low220 Ų220130.7 Ų130.786%0.86371%0.71SS**THydrogen-bonded Turntrans-77.561.7164.8-54.6-75.7000111.2S1162S1162-Y1164 PolarHBondContact O-N 2.75Å; S1162-Y1164 PolarHBondContact OG-N 3.19Å; S1162-Y1164 PolarHBondContact OG-O 2.82Å
1165S31.1Very low34.8Very low97 Ų97133.6 Ų133.668%0.67872%0.721SS**THydrogen-bonded Turntrans-151.220.3161.4-163.40000113S1162 V1163 G1167S1162-S1165 PolarHBondContact O-N 3.03Å; V1163-S1165 PolarHBondContact O-N 3.34Å; S1165-G1167 PolarHBondContact O-N 3.15Å
1166T30.7Very low34.1Very low145 Ų145133.4 Ų133.489%0.8972%0.719SS**  trans-75.252.1154.829.20000110.5V1163V1163-T1166 PolarHBondContact O-OG1 3.48Å
1167G26.2Very low33.8Very low45 Ų45134.3 Ų134.346%0.46473%0.728SS.*  trans-116.5111.2167.800000107.4S1165 T1169S1165-G1167 PolarHBondContact O-N 3.15Å; G1167-T1169 PolarHBondContact O-N 3.05Å
1168M30.1Very low33.3Very low170 Ų170134.5 Ų134.584%0.83773%0.729SS**  trans-71.465.3168.8-68.9174.961.500109.5E1170M1168-E1170 PolarHBondContact O-N 3.42Å
1169T34.3Very low32.7Very low125 Ų125134.4 Ų134.477%0.76773%0.73SS**  trans-79.177.7159.1580000106.7G1167 S1171G1167-T1169 PolarHBondContact O-N 3.05Å; T1169-S1171 PolarHBondContact O-N 3.32Å
1170E29.4Very low31.9Very low126 Ų126138 Ų13859%0.58974%0.735SS**  trans-56.491149.3-70.3-178.1-158.500105.7M1168 H1172M1168-E1170 PolarHBondContact O-N 3.42Å; E1170-H1172 PolarHBondContact O-CD2 2.96Å; E1170-H1172 VanDerWaalsContact O-CD2 3.23Å; E1170-H1172 PolarHBondContact O-N 3.12Å
1171S28.7Very low31.7Very low95 Ų95136.9 Ų136.966%0.66474%0.737SS**  trans-69.390.5175.657.90000106.3T1169 L1173T1169-S1171 PolarHBondContact O-N 3.32Å; S1171-L1173 PolarHBondContact O-N 3.42Å
1172H29.4Very low31.5Very low153 Ų153138 Ų13871%0.70875%0.745SS**  trans-6366163-59.5-79.3000108.8E1170 S1174E1170-H1172 PolarHBondContact O-CD2 2.96Å; E1170-H1172 VanDerWaalsContact O-CD2 3.23Å; E1170-H1172 PolarHBondContact O-N 3.12Å; H1172-S1174 PolarHBondContact O-N 3.48Å
1173L38.6Very low31.1Very low158 Ų158137.6 Ų137.683%0.82775%0.754SS**  trans-68.696.9152.4-69.6-176.6000104.7S1171S1171-L1173 PolarHBondContact O-N 3.42Å
1174S32.1Very low30.8Very low106 Ų106142.1 Ų142.174%0.74176%0.759SS**  trans-41.1136.5-171-560000111.9H1172 G1176H1172-S1174 PolarHBondContact O-N 3.48Å; S1174-G1176 PolarHBondContact O-N 2.84Å
1175K29.5Very low31Very low215 Ų215140.4 Ų140.494%0.93576%0.759SS**  trans-71.459.3170-156.6170.5-175.7178.70109.3L1177K1175-L1177 PolarHBondContact O-N 2.74Å
1176G25.4Very low31.1Very low51 Ų51138.8 Ų138.853%0.52676%0.758SS.*  trans-81.3100.2-175.700000110.3S1174 S1178S1174-G1176 PolarHBondContact O-N 2.84Å; G1176-S1178 PolarHBondContact O-N 3.16Å; G1176-S1178 PolarHBondContact O-OG 3.37Å
1177L30.1Very low31.7Very low172 Ų172135.5 Ų135.590%0.90173%0.734SS**  trans-51.7108.8163.3-76.8149.8000108.9K1175K1175-L1177 PolarHBondContact O-N 2.74Å
1178S32.4Very low32.2Very low85 Ų85135.7 Ų135.759%0.59474%0.736SS**  trans-14977.3175.247.80000110.1G1176 Y1180G1176-S1178 PolarHBondContact O-N 3.16Å; G1176-S1178 PolarHBondContact O-OG 3.37Å; S1178-Y1180 PolarHBondContact O-N 2.74Å
1179D31.7Very low32.9Very low159 Ų159133.4 Ų133.485%0.8572%0.719SS**  trans-68.342.1165.7-71.3-44.9000111.7
1180Y28.5Very low33.4Very low205 Ų205130.4 Ų130.480%0.80470%0.703SS**  trans-145.930.4-166.4-118.8-85.7000115.3S1178S1178-Y1180 PolarHBondContact O-N 2.74Å
1181H34.7Very low34.7Very low168 Ų168131 Ų13178%0.77870%0.701SS**  trans-129.360.7164.4-77.8-56.1000112.9G1183H1181-G1183 PolarHBondContact O-N 2.73Å; H1181-G1183 VanDerWaalsContact O-N 3.13Å
1182Q31.5Very low36.1Very low202 Ų202128.9 Ų128.994%0.94468%0.682SS**THydrogen-bonded Turntrans-58.1108.8156.6-167.278.44.400108.6
1183G28.9Very low37.6Very low71 Ų71130.1 Ų130.173%0.73269%0.694SS**THydrogen-bonded Turntrans126.93165.400000119H1181H1181-G1183 PolarHBondContact O-N 2.73Å; H1181-G1183 VanDerWaalsContact O-N 3.13Å
1184Y30.5Very low39Very low217 Ų217132.3 Ų132.385%0.85169%0.691SS**  trans-102.8105.6169.9-130.9-99.2000111.8G1186Y1184-G1186 PolarHBondContact O-N 2.92Å
1185E36.7Very low40.4Very low184 Ų184129.9 Ų129.986%0.8668%0.683SS**  trans-71.457172.8-63.4-171148.200111.7I1187E1185-I1187 VanDerWaalsContact C-N 3.28Å; E1185-I1187 PolarHBondContact O-N 3.39Å
1186G34.7Very low42Very low63 Ų63127.7 Ų127.765%0.64967%0.669SS**  trans-69.484.5169.700000110.1Y1184 G1188Y1184-G1186 PolarHBondContact O-N 2.92Å; G1186-G1188 PolarHBondContact O-N 3.2Å
1187I42.4Very low43.7Very low76 Ų76128.7 Ų128.739%0.3966%0.662SS.*  trans-66.882.5170.3-55.2177.8000108.2E1185 Y1189E1185-I1187 VanDerWaalsContact C-N 3.28Å; E1185-I1187 PolarHBondContact O-N 3.39Å; I1187-Y1189 HydrophobicContact CG2-CE1 4.42Å; I1187-Y1189 HydrophobicContact CG2-CE2 4.37Å; I1187-Y1189 WeakPolarHBondContact O-CD2 3.47Å; I1187-Y1189 VanDerWaalsContact O-CE2 3.24Å; I1187-Y1189 WeakPolarHBondContact O-CE2 3.47Å; I1187-Y1189 PolarHBondContact O-N 3.4Å
1188G36.1Very low45.3Very low49 Ų49124.9 Ų124.951%0.50564%0.642SS.*  trans-64.5117174.900000110.2G1186 S1190 G1200G1186-G1188 PolarHBondContact O-N 3.2Å; G1188-S1190 PolarHBondContact O-N 3.41Å; G1188-G1200 WeakPolarHBondContact O-CA 3.41Å
1189Y45.2Very low45.9Very low121 Ų121127.5 Ų127.548%0.47564%0.644SS.*  trans-84.991176.3-64.5-87.7000109.4I1187 Y1191 L1197 G1200I1187-Y1189 HydrophobicContact CG2-CE1 4.42Å; I1187-Y1189 HydrophobicContact CG2-CE2 4.37Å; I1187-Y1189 WeakPolarHBondContact O-CD2 3.47Å; I1187-Y1189 VanDerWaalsContact O-CE2 3.24Å; I1187-Y1189 WeakPolarHBondContact O-CE2 3.47Å; I1187-Y1189 PolarHBondContact O-N 3.4Å; Y1189-Y1191 VanDerWaalsContact O-CD2 3.27Å; Y1189-Y1191 WeakPolarHBondContact O-CD2 3.37Å; Y1189-Y1191 WeakPolarHBondContact O-CE2 3.26Å; Y1189-L1197 HydrophobicContact CD1-CD1 3.83Å; Y1189-L1197 HydrophobicContact CD1-CD2 4.32Å; Y1189-L1197 HydrophobicContact CG-CD1 4.32Å; Y1189-G1200 VanDerWaalsContact CD1-O 3.26Å; Y1189-G1200 WeakPolarHBondContact CD1-O 3.12Å; Y1189-G1200 WeakPolarHBondContact CE1-O 3.26Å
1190S45.3Very low46.6Very low63 Ų63121.1 Ų121.144%0.44162%0.616SS.*EExtended strand (participates in β ladder)trans-81.4124.9177.8-56.10000110G1188 L1197 I1198 H1199G1188-S1190 PolarHBondContact O-N 3.41Å; S1190-L1197 CarbonylContact O-C 3.54Å; S1190-I1198 PolarHBondContact O-N 3.31Å; S1190-H1199 PolarHBondContact N-O 2.91Å
1191Y55.6Low47.4Very low138 Ų138112.9 Ų112.954%0.54159%0.593SS.*EExtended strand (participates in β ladder)trans-109.8147.7176.4-65.8-94.6000111.5Y1189 G1195 R1196 L1197Y1189-Y1191 VanDerWaalsContact O-CD2 3.27Å; Y1189-Y1191 WeakPolarHBondContact O-CD2 3.37Å; Y1189-Y1191 WeakPolarHBondContact O-CE2 3.26Å; Y1191-G1195 WeakPolarHBondContact CD1-O 3.35Å; Y1191-R1196 CarbonylContact C-O 3.49Å; Y1191-R1196 VanDerWaalsContact CA-O 3.32Å; Y1191-R1196 WeakPolarHBondContact CA-O 3.27Å; Y1191-L1197 HydrophobicContact CD1-CB 4.19Å; Y1191-L1197 HydrophobicContact CD1-CD1 4.36Å; Y1191-L1197 HydrophobicContact CD2-CD1 4.47Å; Y1191-L1197 HydrophobicContact CE1-CB 4.01Å; Y1191-L1197 HydrophobicContact CE1-CD1 4.01Å; Y1191-L1197 HydrophobicContact CE2-CD1 4.12Å
1192D58Low48.1Very low51 Ų51106.2 Ų106.227%0.27357%0.567SS.*  trans-81.4171.7172.578.4-0.1000111.9R1194 G1195 R1196 I1198D1192-R1194 PolarHBondContact O-N 3.28Å; D1192-R1194 VanDerWaalsContact OD1-C 3.22Å; D1192-R1194 WeakPolarHBondContact OD1-CA 3.16Å; D1192-R1194 VanDerWaalsContact OD1-CB 3.26Å; D1192-R1194 WeakPolarHBondContact OD1-CB 3.4Å; D1192-R1194 PolarHBondContact OD1-N 3.43Å; D1192-G1195 PolarHBondContact O-N 3.32Å; D1192-G1195 PolarHBondContact OD1-N 3.47Å; D1192-R1196 PolarHBondContact N-O 2.98Å; D1192-R1196 WeakPolarHBondContact OD1-CB 3.4Å; D1192-R1196 PolarHBondContact OD1-N 2.92Å; D1192-I1198 HydrophobicContact CB-CD1 3.94Å; D1192-I1198 HydrophobicContact CB-CG1 3.84Å
1193N61Low48.9Very low178 Ų178100.5 Ų100.595%0.95255%0.548SS*.THydrogen-bonded Turntrans-63.5-1.4177.8-53.92.2000113.5
1194R69.8Low50Low204 Ų204103.3 Ų103.377%0.7755%0.546SS*.THydrogen-bonded Turntrans-110.57.3175.1-51.4179.1176.7-136-1.5111.9D1192 R1196D1192-R1194 PolarHBondContact O-N 3.28Å; D1192-R1194 VanDerWaalsContact OD1-C 3.22Å; D1192-R1194 WeakPolarHBondContact OD1-CA 3.16Å; D1192-R1194 VanDerWaalsContact OD1-CB 3.26Å; D1192-R1194 WeakPolarHBondContact OD1-CB 3.4Å; D1192-R1194 PolarHBondContact OD1-N 3.43Å; R1194-R1196 VanDerWaalsContact C-N 3.31Å; R1194-R1196 HydrophobicContact CB-CG 4.4Å; R1194-R1196 PolarHBondContact O-N 3.04Å
1195G59.7Low51.2Low56 Ų5697.2 Ų97.258%0.57753%0.533SS*.SBendtrans73.416.8-177.100000114.4Y1191 D1192Y1191-G1195 WeakPolarHBondContact CD1-O 3.35Å; D1192-G1195 PolarHBondContact O-N 3.32Å; D1192-G1195 PolarHBondContact OD1-N 3.47Å
1196R64.6Low52.2Low168 Ų16894.1 Ų94.163%0.63452%0.518SS*.  trans-91.5132.2176.6-58.8178.7170.1-166.9-4.5110.1Y1191 D1192 R1194 I1198Y1191-R1196 CarbonylContact C-O 3.49Å; Y1191-R1196 VanDerWaalsContact CA-O 3.32Å; Y1191-R1196 WeakPolarHBondContact CA-O 3.27Å; D1192-R1196 PolarHBondContact N-O 2.98Å; D1192-R1196 WeakPolarHBondContact OD1-CB 3.4Å; D1192-R1196 PolarHBondContact OD1-N 2.92Å; R1194-R1196 VanDerWaalsContact C-N 3.31Å; R1194-R1196 HydrophobicContact CB-CG 4.4Å; R1194-R1196 PolarHBondContact O-N 3.04Å; R1196-I1198 PolarHBondContact O-N 2.79Å
1197L59.6Low53.3Low73 Ų7396.9 Ų96.938%0.38251%0.509SS..EExtended strand (participates in β ladder)trans-64.3113.4175.4-17365.7000110.3Y1189 S1190 Y1191 H1199 G1200Y1189-L1197 HydrophobicContact CD1-CD1 3.83Å; Y1189-L1197 HydrophobicContact CD1-CD2 4.32Å; Y1189-L1197 HydrophobicContact CG-CD1 4.32Å; S1190-L1197 CarbonylContact O-C 3.54Å; Y1191-L1197 HydrophobicContact CD1-CB 4.19Å; Y1191-L1197 HydrophobicContact CD1-CD1 4.36Å; Y1191-L1197 HydrophobicContact CD2-CD1 4.47Å; Y1191-L1197 HydrophobicContact CE1-CB 4.01Å; Y1191-L1197 HydrophobicContact CE1-CD1 4.01Å; Y1191-L1197 HydrophobicContact CE2-CD1 4.12Å; L1197-H1199 WeakPolarHBondContact CD1-O 3.32Å; L1197-G1200 WeakPolarHBondContact CD2-O 3.33Å
1198I63.6Low54.1Low92 Ų9296.7 Ų96.747%0.47252%0.515SS..EExtended strand (participates in β ladder)trans-77.3-53.8178.7-46.1175.6000109.4S1190 D1192 R1196S1190-I1198 PolarHBondContact O-N 3.31Å; D1192-I1198 HydrophobicContact CB-CD1 3.94Å; D1192-I1198 HydrophobicContact CB-CG1 3.84Å; R1196-I1198 PolarHBondContact O-N 2.79Å
1199H45.9Very low55.2Low140 Ų14096.6 Ų96.665%0.64851%0.509SS*.EExtended strand (participates in β ladder)trans-147.3162.6-178.2-66.2-58.2000110.5S1190 L1197S1190-H1199 PolarHBondContact N-O 2.91Å; L1197-H1199 WeakPolarHBondContact CD1-O 3.32Å
1200G45.4Very low55.7Low25 Ų2593 Ų9326%0.25850%0.501SS..  trans93.4107.1-176.100000112.1G1188 Y1189 L1197G1188-G1200 WeakPolarHBondContact O-CA 3.41Å; Y1189-G1200 VanDerWaalsContact CD1-O 3.26Å; Y1189-G1200 WeakPolarHBondContact CD1-O 3.12Å; Y1189-G1200 WeakPolarHBondContact CE1-O 3.26Å; L1197-G1200 WeakPolarHBondContact CD2-O 3.33Å
1201G45.4Very low56.2Low31 Ų3198 Ų9832%0.3251%0.511SS..  trans-173.8131.1174.600000111.5C1203 R1207G1201-C1203 PolarHBondContact O-N 2.82Å; G1201-R1207 VanDerWaalsContact CA-NH2 3.34Å
1202A49.6Very low56.4Low28 Ų2898.6 Ų98.623%0.23152%0.516CS..  trans-39.9136.1179.200000112.6R1207A1202-R1207 HydrophobicContact CB-CG 4.25Å; A1202-R1207 WeakPolarHBondContact O-CD 3.19Å; A1202-R1207 WeakPolarHBondContact O-CG 3.4Å; A1202-R1207 PolarHBondContact O-NE 2.97Å; A1202-R1207 VanDerWaalsContact O-NE 3.12Å
1203C48.5Very low56.5Low82 Ų82105 Ų10555%0.55454%0.537SS*.  trans-59.9150.3-166.2-161.60000111.1G1201 P1205 E1206 R1207G1201-C1203 PolarHBondContact O-N 2.82Å; C1203-P1205 VanDerWaalsContact C-N 3.27Å; C1203-P1205 VanDerWaalsContact O-N 3.13Å; C1203-P1205 VanDerWaalsContact SG-CD 3.53Å; C1203-E1206 PolarHBondContact N-OE2 2.93Å; C1203-E1206 PolarHBondContact O-N 3.1Å; C1203-R1207 PolarHBondContact O-N 3.01Å; C1203-R1207 VanDerWaalsContact O-N 3.11Å
1204L53.7Low56.3Low130 Ų130101.1 Ų101.168%0.68151%0.509SS*.Hα-helixtrans-52.2-36.4-175.5-68.6177.5000114.1S1208L1204-S1208 WeakPolarHBondContact O-CB 3.48Å; L1204-S1208 PolarHBondContact O-N 2.74Å; L1204-S1208 PolarHBondContact O-OG 3.25Å
1205P54.2Low55.7Low90 Ų9097.9 Ų97.958%0.58451%0.506SS*.Hα-helixtrans-60-45.3173.1-25.336.6000113.3C1203 S1208 A1209C1203-P1205 VanDerWaalsContact C-N 3.27Å; C1203-P1205 VanDerWaalsContact O-N 3.13Å; C1203-P1205 VanDerWaalsContact SG-CD 3.53Å; P1205-S1208 CarbonylContact O-C 3.6Å; P1205-S1208 PolarHBondContact O-N 2.87Å; P1205-A1209 VanDerWaalsContact O-CB 3.29Å; P1205-A1209 WeakPolarHBondContact O-CB 3.29Å; P1205-A1209 PolarHBondContact O-N 3.43Å
1206E58.2Low55.6Low118 Ų118102.2 Ų102.255%0.55152%0.515SS*.Hα-helixtrans-66.8-44.1180-60.7-171.2113.600111.9C1203 S1208 A1209 S1210C1203-E1206 PolarHBondContact N-OE2 2.93Å; C1203-E1206 PolarHBondContact O-N 3.1Å; E1206-S1208 PolarHBondContact O-N 3.18Å; E1206-A1209 PolarHBondContact O-N 2.88Å; E1206-S1210 WeakPolarHBondContact O-CB 3.42Å; E1206-S1210 PolarHBondContact O-N 3.24Å
1207R58.1Low55.5Low122 Ų12299.2 Ų99.246%0.4651%0.511SS..Hα-helixtrans-60.2-38.3174.4-73.9179.9171.3-174.3-4111.2G1201 A1202 C1203 R1211G1201-R1207 VanDerWaalsContact CA-NH2 3.34Å; A1202-R1207 HydrophobicContact CB-CG 4.25Å; A1202-R1207 WeakPolarHBondContact O-CD 3.19Å; A1202-R1207 WeakPolarHBondContact O-CG 3.4Å; A1202-R1207 PolarHBondContact O-NE 2.97Å; A1202-R1207 VanDerWaalsContact O-NE 3.12Å; C1203-R1207 PolarHBondContact O-N 3.01Å; C1203-R1207 VanDerWaalsContact O-N 3.11Å; R1207-R1211 VanDerWaalsContact O-CB 3.26Å; R1207-R1211 WeakPolarHBondContact O-CB 3.44Å; R1207-R1211 PolarHBondContact O-N 3.02Å
1208S58.5Low54.8Low71 Ų7196.7 Ų96.750%0.49750%0.503SS..Hα-helixtrans-73-43.5178.4-59.10000112.3L1204 P1205 E1206 R1211 K1212L1204-S1208 WeakPolarHBondContact O-CB 3.48Å; L1204-S1208 PolarHBondContact O-N 2.74Å; L1204-S1208 PolarHBondContact O-OG 3.25Å; P1205-S1208 CarbonylContact O-C 3.6Å; P1205-S1208 PolarHBondContact O-N 2.87Å; E1206-S1208 PolarHBondContact O-N 3.18Å; S1208-R1211 CarbonylContact O-C 3.55Å; S1208-R1211 PolarHBondContact O-N 3.31Å; S1208-K1212 WeakPolarHBondContact O-CB 3.42Å; S1208-K1212 PolarHBondContact O-N 2.79Å
1209A59.8Low54.1Low47 Ų4794.5 Ų94.539%0.38849%0.491SS..Hα-helixtrans-67.8-39.7176.600000112P1205 E1206 R1211 K1212 R1213P1205-A1209 VanDerWaalsContact O-CB 3.29Å; P1205-A1209 WeakPolarHBondContact O-CB 3.29Å; P1205-A1209 PolarHBondContact O-N 3.43Å; E1206-A1209 PolarHBondContact O-N 2.88Å; A1209-R1211 VanDerWaalsContact C-N 3.34Å; A1209-K1212 PolarHBondContact O-N 3.13Å; A1209-R1213 PolarHBondContact O-N 3Å
1210S55.5Low54.2Low45 Ų4591 Ų9132%0.31548%0.475SS..Hα-helixtrans-62-41.6171-173.80000110.9E1206 R1214E1206-S1210 WeakPolarHBondContact O-CB 3.42Å; E1206-S1210 PolarHBondContact O-N 3.24Å; S1210-R1214 WeakPolarHBondContact O-CB 3.45Å; S1210-R1214 PolarHBondContact O-N 2.81Å; S1210-R1214 PolarHBondContact O-NH1 2.93Å; S1210-R1214 PolarHBondContact OG-NH2 3.3Å
1211R55.9Low54.2Low168 Ų16893 Ų9363%0.63449%0.485SS*.Hα-helixtrans-66.5-40.7173.5-169.4-179.1-63.5-125.22.2112.3R1207 S1208 A1209 R1214 L1215R1207-R1211 VanDerWaalsContact O-CB 3.26Å; R1207-R1211 WeakPolarHBondContact O-CB 3.44Å; R1207-R1211 PolarHBondContact O-N 3.02Å; S1208-R1211 CarbonylContact O-C 3.55Å; S1208-R1211 PolarHBondContact O-N 3.31Å; A1209-R1211 VanDerWaalsContact C-N 3.34Å; R1211-R1214 PolarHBondContact O-N 3.12Å; R1211-L1215 HydrophobicContact CG-CD1 4.16Å; R1211-L1215 WeakPolarHBondContact O-CB 3.35Å; R1211-L1215 VanDerWaalsContact O-CG 3.3Å; R1211-L1215 WeakPolarHBondContact O-CG 3.39Å; R1211-L1215 PolarHBondContact O-N 3.25Å
1212K60.4Low54.3Low151 Ų15196.7 Ų96.766%0.65750%0.497SS*.Hα-helixtrans-66.7-44.1179.3-160.6175.4-175.7-176.90111.6S1208 A1209 L1215 L1216S1208-K1212 WeakPolarHBondContact O-CB 3.42Å; S1208-K1212 PolarHBondContact O-N 2.79Å; A1209-K1212 PolarHBondContact O-N 3.13Å; K1212-L1215 PolarHBondContact O-N 3.21Å; K1212-L1216 WeakPolarHBondContact O-CG 2.89Å; K1212-L1216 PolarHBondContact O-N 2.91Å; K1212-L1216 VanDerWaalsContact O-N 3.09Å
1213R60.2Low54.3Low186 Ų18698 Ų9870%0.70250%0.504SS*.Hα-helixtrans-58.8-46.3168.8-87-172.3-78.2-174.2-5.9111.8A1209 L1215 L1216 D1217A1209-R1213 PolarHBondContact O-N 3Å; R1213-L1215 VanDerWaalsContact C-N 3.32Å; R1213-L1215 PolarHBondContact O-N 2.66Å; R1213-L1216 PolarHBondContact O-N 2.81Å; R1213-D1217 WeakPolarHBondContact O-CB 3.49Å; R1213-D1217 PolarHBondContact O-N 2.91Å
1214R55.7Low54.3Low97 Ų97102.3 Ų102.337%0.36651%0.509SS..Hα-helixtrans-63.5-34180-170.3178.9-63.397.510.3113.8S1210 R1211 G1218 H1219S1210-R1214 WeakPolarHBondContact O-CB 3.45Å; S1210-R1214 PolarHBondContact O-N 2.81Å; S1210-R1214 PolarHBondContact O-NH1 2.93Å; S1210-R1214 PolarHBondContact OG-NH2 3.3Å; R1211-R1214 PolarHBondContact O-N 3.12Å; R1214-G1218 PolarHBondContact O-N 3.32Å; R1214-G1218 VanDerWaalsContact O-N 3.1Å; R1214-H1219 VanDerWaalsContact CD-O 3.23Å; R1214-H1219 WeakPolarHBondContact CD-O 3.4Å; R1214-H1219 WeakPolarHBondContact CG-O 3.41Å; R1214-H1219 PolarHBondContact O-N 3.07Å
1215L58Low54.2Low135 Ų13599.1 Ų99.171%0.70750%0.495SS*.Hα-helixtrans-72.4-37.2174.5-74.2168.5000112.1R1211 K1212 R1213R1211-L1215 HydrophobicContact CG-CD1 4.16Å; R1211-L1215 WeakPolarHBondContact O-CB 3.35Å; R1211-L1215 VanDerWaalsContact O-CG 3.3Å; R1211-L1215 WeakPolarHBondContact O-CG 3.39Å; R1211-L1215 PolarHBondContact O-N 3.25Å; K1212-L1215 PolarHBondContact O-N 3.21Å; R1213-L1215 VanDerWaalsContact C-N 3.32Å; R1213-L1215 PolarHBondContact O-N 2.66Å
1216L57.8Low53.9Low148 Ų148103.2 Ų103.278%0.77550%0.498SS*.Hα-helixtrans-67.1-38.2172.7-72.6164.5000112.2K1212 R1213 G1218K1212-L1216 WeakPolarHBondContact O-CG 2.89Å; K1212-L1216 PolarHBondContact O-N 2.91Å; K1212-L1216 VanDerWaalsContact O-N 3.09Å; R1213-L1216 PolarHBondContact O-N 2.81Å; L1216-G1218 VanDerWaalsContact C-N 3.34Å
1217D61Low53.8Low104 Ų104101.6 Ų101.656%0.55649%0.493SS*.THydrogen-bonded Turntrans-81.4-9.8-179.6-170.939.3000113.6R1213 H1219R1213-D1217 WeakPolarHBondContact O-CB 3.49Å; R1213-D1217 PolarHBondContact O-N 2.91Å; D1217-H1219 PolarHBondContact O-CD2 3.38Å; D1217-H1219 VanDerWaalsContact O-CD2 3.31Å; D1217-H1219 PolarHBondContact O-N 3.5Å; D1217-H1219 IonicContact OD1-CD2 2.98Å; D1217-H1219 IonicContact OD2-CD2 3.29Å; D1217-H1219 PolarHBondContact OD2-CD2 3.4Å; D1217-H1219 VanDerWaalsContact OD2-CD2 3.28Å; D1217-H1219 IonicContact OD2-CG 3.25Å
1218G46.3Very low53.2Low21 Ų21100 Ų10022%0.21650%0.498CS..THydrogen-bonded Turntrans64.921.6178.800000114.7R1214 L1216R1214-G1218 PolarHBondContact O-N 3.32Å; R1214-G1218 VanDerWaalsContact O-N 3.1Å; L1216-G1218 VanDerWaalsContact C-N 3.34Å
1219H48.4Very low52.7Low45 Ų45103.2 Ų103.221%0.20851%0.505CS..  trans-104.872.1-174.9-92-81.9000112.1K1090 R1214 D1217 S1221K1090-H1219 PolarHBondContact NZ-NE2 2.85Å; R1214-H1219 VanDerWaalsContact CD-O 3.23Å; R1214-H1219 WeakPolarHBondContact CD-O 3.4Å; R1214-H1219 WeakPolarHBondContact CG-O 3.41Å; R1214-H1219 PolarHBondContact O-N 3.07Å; D1217-H1219 PolarHBondContact O-CD2 3.38Å; D1217-H1219 VanDerWaalsContact O-CD2 3.31Å; D1217-H1219 PolarHBondContact O-N 3.5Å; D1217-H1219 IonicContact OD1-CD2 2.98Å; D1217-H1219 IonicContact OD2-CD2 3.29Å; D1217-H1219 PolarHBondContact OD2-CD2 3.4Å; D1217-H1219 VanDerWaalsContact OD2-CD2 3.28Å; D1217-H1219 IonicContact OD2-CG 3.25Å; H1219-S1221 PolarHBondContact O-N 3.19Å; H1219-S1221 VanDerWaalsContact O-N 3.08Å
1220E47.3Very low52.1Low67 Ų67107.3 Ų107.331%0.31353%0.531SS..  trans-72.6102.3178.449.3166.8-114.500113.9R1091R1091-E1220 HydrophobicContact CB-CG 4.12Å; R1091-E1220 IonicContact CZ-OE1 3.21Å; R1091-E1220 IonicContact NE-OE1 2.71Å; R1091-E1220 PolarHBondContact NE-OE1 2.78Å; R1091-E1220 IonicContact NH2-OE1 3.35Å; R1091-E1220 PolarHBondContact NH2-OE1 3.03Å
1221S46.3Very low51.5Low66 Ų66107.4 Ų107.446%0.46254%0.54SS..  trans85.2112.9169.7-350000115.6T1089 H1219T1089-S1221 PolarHBondContact N-O 3.47Å; H1219-S1221 PolarHBondContact O-N 3.19Å; H1219-S1221 VanDerWaalsContact O-N 3.08Å
1222L47.1Very low50.8Low110 Ų110107.8 Ų107.858%0.57655%0.548SS*.EExtended strand (participates in β ladder)trans-87.6106.4156.9-63-177.3000107.4I1086 R1224I1086-L1222 HydrophobicContact CG2-CB 4.04Å; I1086-L1222 HydrophobicContact CG2-CD1 4.34Å; I1086-L1222 HydrophobicContact CG2-CD2 4.28Å; I1086-L1222 HydrophobicContact CG2-CG 4.45Å; L1222-R1224 PolarHBondContact O-N 3.22Å
1223S49.5Very low49.8Very low55 Ų55109.4 Ų109.439%0.38556%0.558SS.*EExtended strand (participates in β ladder)trans-85.1109.3174.6-64.40000108.5I1087 V1225I1087-S1223 PolarHBondContact N-O 2.99Å; I1087-S1223 PolarHBondContact O-N 3.49Å; S1223-V1225 PolarHBondContact O-N 3.27Å
1224R48.4Very low48.4Very low173 Ų173109.1 Ų109.165%0.65356%0.558SS**EExtended strand (participates in β ladder)trans-82.1108.5172.7-163.7170.4-169.1177.41.4108.5S1084 I1086 L1222S1084-R1224 PolarHBondContact OG-NE 3.39Å; S1084-R1224 VanDerWaalsContact OG-NE 3.12Å; S1084-R1224 PolarHBondContact OG-NH2 3Å; I1086-R1224 HydrophobicContact CG1-CG 4.13Å; L1222-R1224 PolarHBondContact O-N 3.22Å
1225V52.2Low47.5Very low63 Ų63109.6 Ų109.638%0.38257%0.574SS.*EExtended strand (participates in β ladder)trans-99.7127.6180-179.10000108.4L1085 I1087 S1223L1085-V1225 PolarHBondContact N-O 3.28Å; L1085-V1225 PolarHBondContact O-N 3.18Å; I1087-V1225 HydrophobicContact CD1-CB 4.35Å; I1087-V1225 HydrophobicContact CD1-CG2 3.72Å; I1087-V1225 HydrophobicContact CG1-CG2 4.16Å; S1223-V1225 PolarHBondContact O-N 3.27Å
1226W48.2Very low46.5Very low175 Ų175109.5 Ų109.566%0.66358%0.579SS**EExtended strand (participates in β ladder)trans-82.2131.4172.8-158.367.5000108.9H1083 P1228H1083-W1226 HydrophobicContact CB-CZ2 4.46Å; H1083-W1226 WeakPolarHBondContact O-CA 3.49Å; W1226-P1228 HydrophobicContact CE3-CB 4.19Å; W1226-P1228 HydrophobicContact CZ3-CB 3.89Å; W1226-P1228 WeakPolarHBondContact O-CD 3.27Å
1227I55.9Low45.6Very low84 Ų84110.9 Ų110.943%0.43158%0.579SS.*  trans-105.1101.3177.5-58.7-179.5000107.3H1083 L1085 Q1229H1083-I1227 PolarHBondContact O-N 3.4Å; L1085-I1227 HydrophobicContact CB-CD1 3.72Å; L1085-I1227 HydrophobicContact CB-CG1 4.25Å; L1085-I1227 HydrophobicContact CD2-CD1 4.14Å; I1227-Q1229 PolarHBondContact O-N 3.4Å
1228P44.9Very low44.3Very low89 Ų89114.9 Ų114.958%0.57859%0.594SS**  trans-67.1120.2171.527.3-32.3000109.1W1226 S1230W1226-P1228 HydrophobicContact CE3-CB 4.19Å; W1226-P1228 HydrophobicContact CZ3-CB 3.89Å; W1226-P1228 WeakPolarHBondContact O-CD 3.27Å; P1228-S1230 PolarHBondContact O-N 3.23Å
1229Q47.6Very low43.8Very low139 Ų139120.8 Ų120.865%0.6562%0.619SS**  trans-79.6109.6169.3-71.1-171.1-59.400109.3I1227 G1231I1227-Q1229 PolarHBondContact O-N 3.4Å; Q1229-G1231 PolarHBondContact O-N 3.39Å
1230S47.5Very low43.2Very low132 Ų132123.3 Ų123.392%0.92364%0.64SS**  trans-73.771.8155.957.60000108.3P1228P1228-S1230 PolarHBondContact O-N 3.23Å
1231G42.8Very low42.6Very low48 Ų48128.3 Ų128.350%0.49567%0.668SS.*  trans-147.192.8-173.200000109.5Q1229 Q1233Q1229-G1231 PolarHBondContact O-N 3.39Å; G1231-Q1233 VanDerWaalsContact C-N 3.27Å; G1231-Q1233 PolarHBondContact O-N 3.39Å
1232E41Very low42.2Very low175 Ų175135.8 Ų135.882%0.81869%0.686SS**  trans-62.683.5175.9-70.2176.1177.600110.9Y1234E1232-Y1234 HydrophobicContact CB-CD2 4.15Å; E1232-Y1234 HydrophobicContact CG-CD2 4.39Å; E1232-Y1234 HydrophobicContact CG-CE2 4.46Å; E1232-Y1234 PolarHBondContact O-N 3.13Å
1233Q39.4Very low41.9Very low185 Ų185135.3 Ų135.386%0.86469%0.688SS**  trans-85.460.7156.9-68-161.9-32.800109.2G1231G1231-Q1233 VanDerWaalsContact C-N 3.27Å; G1231-Q1233 PolarHBondContact O-N 3.39Å
1234Y30.7Very low41.4Very low180 Ų180137.4 Ų137.471%0.70671%0.709SS**  trans-59.5133.2151.5-81.8-79.9000107E1232 V1236E1232-Y1234 HydrophobicContact CB-CD2 4.15Å; E1232-Y1234 HydrophobicContact CG-CD2 4.39Å; E1232-Y1234 HydrophobicContact CG-CE2 4.46Å; E1232-Y1234 PolarHBondContact O-N 3.13Å; Y1234-V1236 PolarHBondContact O-N 3.21Å
1235P38.3Very low41Very low108 Ų108132.8 Ų132.870%0.70170%0.703SS**  trans-59.6117.4178.623.9-32.5000108.1K1237P1235-K1237 PolarHBondContact O-N 3.35Å
1236V35.7Very low40.4Very low132 Ų132133 Ų13380%0.871%0.707SS**  trans-6685.2-179.6-178.70000108.2Y1234 Q1238Y1234-V1236 PolarHBondContact O-N 3.21Å; V1236-Q1238 PolarHBondContact O-N 2.71Å
1237K38.9Very low40.1Very low177 Ų177131.4 Ų131.477%0.7771%0.711SS**  trans-58.7119.4156.9-68.1-174.4178.2-176.70105P1235 I1239P1235-K1237 PolarHBondContact O-N 3.35Å; K1237-I1239 VanDerWaalsContact C-N 3.35Å; K1237-I1239 PolarHBondContact O-N 3.13Å
1238Q34.3Very low39.6Very low188 Ų188132.7 Ų132.788%0.87972%0.723SS**  trans-6397.4-179.9-61.117423.300107.9V1236V1236-Q1238 PolarHBondContact O-N 2.71Å
1239I36Very low39.7Very low146 Ų146132.1 Ų132.175%0.74972%0.715SS**  trans-89.1114.7169.8-62.8175.3000105.1K1237K1237-I1239 VanDerWaalsContact C-N 3.35Å; K1237-I1239 PolarHBondContact O-N 3.13Å
1240P35.3Very low39.8Very low98 Ų98134.1 Ų134.164%0.63672%0.717SS**  trans-65.1154-172.525.8-34.6000112R1242P1240-R1242 PolarHBondContact O-N 3.05Å
1241D35.3Very low40.1Very low171 Ų171133.7 Ų133.791%0.91470%0.704SS**SBendtrans-66.857.3-169.7-57.1-65.9000115.4
1242R38.2Very low40.6Very low223 Ų223137.1 Ų137.184%0.84271%0.707SS**  trans-134.779.1178-68.2-171.5179.5-1700.8110.5P1240P1240-R1242 PolarHBondContact O-N 3.05Å
1243T39.7Very low41.1Very low101 Ų101134.8 Ų134.862%0.6269%0.691SS**  trans169.860.1146.336.70000112.3S1245 S1246T1243-S1245 PolarHBondContact O-N 3.17Å; T1243-S1245 VanDerWaalsContact O-N 3.09Å; T1243-S1246 PolarHBondContact O-N 3.42Å
1244A39.1Very low41.7Very low99 Ų99129.9 Ų129.982%0.81867%0.668SS**G310 helixtrans-56.7-17.7159.400000112.4S1246A1244-S1246 VanDerWaalsContact C-N 3.3Å; A1244-S1246 PolarHBondContact O-N 3.02Å
1245S39.9Very low42.7Very low75 Ų75123.6 Ų123.652%0.52465%0.654SS.*G310 helixtrans-68.3-13.117147.60000115.5T1243 L1247 T1248T1243-S1245 PolarHBondContact O-N 3.17Å; T1243-S1245 VanDerWaalsContact O-N 3.09Å; S1245-L1247 PolarHBondContact O-N 3.31Å; S1245-T1248 PolarHBondContact O-N 3.23Å; S1245-T1248 PolarHBondContact O-OG1 3.48Å
1246S39.5Very low43.3Very low68 Ų68125.3 Ų125.348%0.47665%0.652SS.*G310 helixtrans-77.4-3179.7-159.30000114T1243 A1244 R1253T1243-S1246 PolarHBondContact O-N 3.42Å; A1244-S1246 VanDerWaalsContact C-N 3.3Å; A1244-S1246 PolarHBondContact O-N 3.02Å; S1246-R1253 PolarHBondContact O-NH1 3.25Å
1247L41.8Very low44Very low141 Ų141123.9 Ų123.974%0.73864%0.64SS**G310 helixtrans-84.3-17.3171.3-78.5170.2000113.4S1245S1245-L1247 PolarHBondContact O-N 3.31Å
1248T46.8Very low44.8Very low112 Ų112119.3 Ų119.369%0.68762%0.624SS**THydrogen-bonded Turntrans-88.6-21.4-17851.70000114.3S1245 R1250S1245-T1248 PolarHBondContact O-N 3.23Å; S1245-T1248 PolarHBondContact O-OG1 3.48Å; T1248-R1250 VanDerWaalsContact C-N 3.29Å; T1248-R1250 PolarHBondContact O-N 3.43Å
1249N46.4Very low45.7Very low77 Ų77115 Ų11541%0.41261%0.606SS.*  trans-84.568.5173.9-92.90.2000112.1D1251 E1252N1249-D1251 PolarHBondContact O-N 3.21Å; N1249-E1252 HydrophobicContact CB-CB 4.3Å; N1249-E1252 HydrophobicContact CB-CG 4.28Å; N1249-E1252 WeakPolarHBondContact CB-OE2 3.35Å; N1249-E1252 VanDerWaalsContact ND2-CD 3.28Å; N1249-E1252 PolarHBondContact ND2-OE2 3.15Å
1250R49.4Very low46.5Very low181 Ų181110.6 Ų110.668%0.68359%0.589SS**Hα-helixtrans-61.3-35.9166.6-179178168.8112.14.1111T1248 R1253 Q1254T1248-R1250 VanDerWaalsContact C-N 3.29Å; T1248-R1250 PolarHBondContact O-N 3.43Å; R1250-R1253 PolarHBondContact O-N 3.5Å; R1250-Q1254 PolarHBondContact O-N 3.02Å
1251D54.8Low47.2Very low123 Ų123108.8 Ų108.866%0.65858%0.582SS**Hα-helixtrans-71-34.8-172.4-57.1-24.2000112.8N1249 R1253 Q1254 A1255N1249-D1251 PolarHBondContact O-N 3.21Å; D1251-R1253 VanDerWaalsContact C-N 3.35Å; D1251-R1253 PolarHBondContact O-N 3.26Å; D1251-Q1254 PolarHBondContact O-N 3Å; D1251-A1255 WeakPolarHBondContact O-CB 3.35Å; D1251-A1255 PolarHBondContact O-N 3.46Å
1252E53.2Low47.9Very low119 Ų119105.4 Ų105.456%0.55656%0.562SS**Hα-helixtrans-64.8-37.7172-75.5-173.6127.100112.2N1249 A1255 Q1256N1249-E1252 HydrophobicContact CB-CB 4.3Å; N1249-E1252 HydrophobicContact CB-CG 4.28Å; N1249-E1252 WeakPolarHBondContact CB-OE2 3.35Å; N1249-E1252 VanDerWaalsContact ND2-CD 3.28Å; N1249-E1252 PolarHBondContact ND2-OE2 3.15Å; E1252-A1255 PolarHBondContact O-N 3.22Å; E1252-Q1256 WeakPolarHBondContact O-CG 3.16Å; E1252-Q1256 PolarHBondContact O-N 3.46Å
1253R50.1Low48.5Very low127 Ų12797 Ų9748%0.47954%0.54SS..Hα-helixtrans-69.7-34.1174.6-73.3-157.9-71.8-89.71.2111.9S1246 R1250 D1251 Q1256 L1257S1246-R1253 PolarHBondContact O-NH1 3.25Å; R1250-R1253 PolarHBondContact O-N 3.5Å; D1251-R1253 VanDerWaalsContact C-N 3.35Å; D1251-R1253 PolarHBondContact O-N 3.26Å; R1253-Q1256 PolarHBondContact O-N 2.91Å; R1253-L1257 WeakPolarHBondContact O-CG 3.04Å; R1253-L1257 PolarHBondContact O-N 3.44Å
1254Q51.6Low48.9Very low81 Ų8199.3 Ų99.338%0.37954%0.542SS..Hα-helixtrans-65.9-45.2172.4-165.162.354.300111R1250 D1251 Q1256 L1257 D1258R1250-Q1254 PolarHBondContact O-N 3.02Å; D1251-Q1254 PolarHBondContact O-N 3Å; Q1254-Q1256 VanDerWaalsContact C-N 3.31Å; Q1254-Q1256 PolarHBondContact O-N 3.15Å; Q1254-L1257 PolarHBondContact O-N 3.03Å; Q1254-L1257 VanDerWaalsContact O-N 3.11Å; Q1254-D1258 PolarHBondContact NE2-OD1 3.39Å; Q1254-D1258 WeakPolarHBondContact O-CB 3.29Å; Q1254-D1258 VanDerWaalsContact O-CG 3.29Å; Q1254-D1258 PolarHBondContact O-N 3.29Å
1255A52.9Low49.5Very low49 Ų4997.6 Ų97.641%0.40553%0.527SS..Hα-helixtrans-61-36.3175.600000113D1251 E1252 N1259D1251-A1255 WeakPolarHBondContact O-CB 3.35Å; D1251-A1255 PolarHBondContact O-N 3.46Å; E1252-A1255 PolarHBondContact O-N 3.22Å; A1255-N1259 VanDerWaalsContact O-CB 3.22Å; A1255-N1259 WeakPolarHBondContact O-CB 3.21Å; A1255-N1259 VanDerWaalsContact O-CG 3.22Å; A1255-N1259 PolarHBondContact O-N 2.95Å; A1255-N1259 PolarHBondContact O-ND2 3.28Å; A1255-N1259 VanDerWaalsContact O-ND2 3.15Å
1256Q50.6Low49.9Very low143 Ų14399 Ų9967%0.66853%0.528SS*.Hα-helixtrans-69.8-37.2173-74.2-172.4700112.9E1252 R1253 Q1254 S1260E1252-Q1256 WeakPolarHBondContact O-CG 3.16Å; E1252-Q1256 PolarHBondContact O-N 3.46Å; R1253-Q1256 PolarHBondContact O-N 2.91Å; Q1254-Q1256 VanDerWaalsContact C-N 3.31Å; Q1254-Q1256 PolarHBondContact O-N 3.15Å; Q1256-S1260 WeakPolarHBondContact O-CB 3.24Å; Q1256-S1260 PolarHBondContact O-N 3.46Å
1257L51.3Low50.3Low103 Ų103103.9 Ų103.954%0.53954%0.536SS..Hα-helixtrans-67.1-45.1174.6-73.3174000111.4R1253 Q1254 N1259 S1260 A1261R1253-L1257 WeakPolarHBondContact O-CG 3.04Å; R1253-L1257 PolarHBondContact O-N 3.44Å; Q1254-L1257 PolarHBondContact O-N 3.03Å; Q1254-L1257 VanDerWaalsContact O-N 3.11Å; L1257-N1259 VanDerWaalsContact C-N 3.35Å; L1257-N1259 PolarHBondContact O-N 3.29Å; L1257-S1260 WeakPolarHBondContact O-CA 3.39Å; L1257-S1260 WeakPolarHBondContact O-CB 3.36Å; L1257-S1260 PolarHBondContact O-N 3.31Å; L1257-S1260 PolarHBondContact O-OG 3.04Å; L1257-A1261 PolarHBondContact O-N 3.47Å
1258D55.7Low50.6Low81 Ų81103.8 Ų103.843%0.43354%0.537SS..Hα-helixtrans-65.6-38.9178.6-65.2-4.1000110.9Q1254 S1260 A1261 M1262Q1254-D1258 PolarHBondContact NE2-OD1 3.39Å; Q1254-D1258 WeakPolarHBondContact O-CB 3.29Å; Q1254-D1258 VanDerWaalsContact O-CG 3.29Å; Q1254-D1258 PolarHBondContact O-N 3.29Å; D1258-S1260 PolarHBondContact O-N 3.07Å; D1258-A1261 PolarHBondContact O-N 3.4Å; D1258-M1262 WeakPolarHBondContact O-CB 3.43Å; D1258-M1262 WeakPolarHBondContact O-CG 3.47Å; D1258-M1262 PolarHBondContact O-N 3.38Å
1259N52.3Low50.4Low97 Ų97107 Ų10752%0.51954%0.541SS..Hα-helixtrans-65.5-34.2170.2-78-29.6000112.7A1255 L1257 M1262 A1263A1255-N1259 VanDerWaalsContact O-CB 3.22Å; A1255-N1259 WeakPolarHBondContact O-CB 3.21Å; A1255-N1259 VanDerWaalsContact O-CG 3.22Å; A1255-N1259 PolarHBondContact O-N 2.95Å; A1255-N1259 PolarHBondContact O-ND2 3.28Å; A1255-N1259 VanDerWaalsContact O-ND2 3.15Å; L1257-N1259 VanDerWaalsContact C-N 3.35Å; L1257-N1259 PolarHBondContact O-N 3.29Å; N1259-M1262 WeakPolarHBondContact OD1-CE 3.46Å; N1259-A1263 WeakPolarHBondContact O-CB 3.42Å; N1259-A1263 PolarHBondContact O-N 3.34Å
1260S52.8Low50.2Low54 Ų54108.5 Ų108.538%0.37855%0.554SS.*Hα-helixtrans-69.4-40.3174.479.90000111.9Q1256 L1257 D1258 A1263 F1264Q1256-S1260 WeakPolarHBondContact O-CB 3.24Å; Q1256-S1260 PolarHBondContact O-N 3.46Å; L1257-S1260 WeakPolarHBondContact O-CA 3.39Å; L1257-S1260 WeakPolarHBondContact O-CB 3.36Å; L1257-S1260 PolarHBondContact O-N 3.31Å; L1257-S1260 PolarHBondContact O-OG 3.04Å; D1258-S1260 PolarHBondContact O-N 3.07Å; S1260-A1263 PolarHBondContact O-N 3.48Å; S1260-F1264 WeakPolarHBondContact O-CD2 3.38Å; S1260-F1264 PolarHBondContact O-N 3.34Å
1261A49.5Very low49.7Very low60 Ų60105.7 Ų105.750%0.49656%0.556SS.*Hα-helixtrans-66.4-43.8176.500000111.4L1257 D1258 F1264 A1265L1257-A1261 PolarHBondContact O-N 3.47Å; D1258-A1261 PolarHBondContact O-N 3.4Å; A1261-F1264 PolarHBondContact O-N 3.15Å; A1261-A1265 WeakPolarHBondContact O-CB 3.47Å; A1261-A1265 PolarHBondContact O-N 3.36Å
1262M49.9Very low49.1Very low99 Ų99104.8 Ų104.849%0.48856%0.557SS.*Hα-helixtrans-64-39.3170.8-76-166.7-65.200112.4D1258 N1259 F1264 A1265 L1266D1258-M1262 WeakPolarHBondContact O-CB 3.43Å; D1258-M1262 WeakPolarHBondContact O-CG 3.47Å; D1258-M1262 PolarHBondContact O-N 3.38Å; N1259-M1262 WeakPolarHBondContact OD1-CE 3.46Å; M1262-F1264 VanDerWaalsContact C-N 3.28Å; M1262-F1264 PolarHBondContact O-N 3Å; M1262-A1265 PolarHBondContact O-N 3.18Å; M1262-L1266 HydrophobicContact CB-CD1 4.43Å; M1262-L1266 VanDerWaalsContact O-CB 3.25Å; M1262-L1266 WeakPolarHBondContact O-CB 3.23Å; M1262-L1266 VanDerWaalsContact O-CG 3.31Å; M1262-L1266 WeakPolarHBondContact O-CG 3.49Å; M1262-L1266 PolarHBondContact O-N 3.49Å
1263A52.2Low48.5Very low46 Ų46108.8 Ų108.838%0.3857%0.572SS.*Hα-helixtrans-66.4-28.7177.500000112.9N1259 S1260 R1267N1259-A1263 WeakPolarHBondContact O-CB 3.42Å; N1259-A1263 PolarHBondContact O-N 3.34Å; S1260-A1263 PolarHBondContact O-N 3.48Å; A1263-R1267 WeakPolarHBondContact O-CB 3.12Å; A1263-R1267 WeakPolarHBondContact O-CG 3.5Å; A1263-R1267 PolarHBondContact O-N 2.86Å
1264F47.7Very low48Very low151 Ų151110.5 Ų110.566%0.66259%0.589SS**Hα-helixtrans-75-44.8168.4-88-75000112S1260 A1261 M1262 L1266S1260-F1264 WeakPolarHBondContact O-CD2 3.38Å; S1260-F1264 PolarHBondContact O-N 3.34Å; A1261-F1264 PolarHBondContact O-N 3.15Å; M1262-F1264 VanDerWaalsContact C-N 3.28Å; M1262-F1264 PolarHBondContact O-N 3Å; F1264-L1266 PolarHBondContact O-N 3.08Å
1265A50.8Low47.2Very low62 Ų62121.5 Ų121.551%0.51263%0.628SS.*Hα-helixtrans-67.4-31.2179.700000114.1A1261 M1262A1261-A1265 WeakPolarHBondContact O-CB 3.47Å; A1261-A1265 PolarHBondContact O-N 3.36Å; M1262-A1265 PolarHBondContact O-N 3.18Å
1266L48.8Very low46.9Very low104 Ų104125.1 Ų125.155%0.54564%0.639SS.*Hα-helixtrans-89.3-19.5-179.5-67.7173.4000113.5M1262 F1264 D1268 F1269M1262-L1266 HydrophobicContact CB-CD1 4.43Å; M1262-L1266 VanDerWaalsContact O-CB 3.25Å; M1262-L1266 WeakPolarHBondContact O-CB 3.23Å; M1262-L1266 VanDerWaalsContact O-CG 3.31Å; M1262-L1266 WeakPolarHBondContact O-CG 3.49Å; M1262-L1266 PolarHBondContact O-N 3.49Å; F1264-L1266 PolarHBondContact O-N 3.08Å; L1266-D1268 PolarHBondContact O-N 3.37Å; L1266-F1269 PolarHBondContact O-N 2.78Å; L1266-F1269 VanDerWaalsContact O-N 3.1Å
1267R47.5Very low46.7Very low172 Ų172124.2 Ų124.265%0.64964%0.637SS**Hα-helixtrans-60.2-29.9176.5-106.5-177.6171.81321112.9A1263 F1269A1263-R1267 WeakPolarHBondContact O-CB 3.12Å; A1263-R1267 WeakPolarHBondContact O-CG 3.5Å; A1263-R1267 PolarHBondContact O-N 2.86Å; R1267-F1269 VanDerWaalsContact C-N 3.29Å; R1267-F1269 PolarHBondContact O-N 3.39Å
1268D47.8Very low46.5Very low139 Ų139125.3 Ų125.374%0.74364%0.643SS**THydrogen-bonded Turntrans-81.2-5.1-179.9-69.2-8.1000113.5L1266L1266-D1268 PolarHBondContact O-N 3.37Å
1269F43.6Very low45.9Very low179 Ų179127.9 Ų127.979%0.78566%0.655SS**THydrogen-bonded Turntrans-115.41.2-176.3-78.9-72.4000116L1266 R1267L1266-F1269 PolarHBondContact O-N 2.78Å; L1266-F1269 VanDerWaalsContact O-N 3.1Å; R1267-F1269 VanDerWaalsContact C-N 3.29Å; R1267-F1269 PolarHBondContact O-N 3.39Å
1270T41.8Very low45.5Very low109 Ų109129.9 Ų129.967%0.66966%0.663SS**  trans-115.816.9-179.869.40000115.3P1272T1270-P1272 VanDerWaalsContact O-CD 3.23Å; T1270-P1272 WeakPolarHBondContact O-CD 3.32Å
1271V39Very low45Very low121 Ų121134.9 Ų134.973%0.73368%0.682SS**SBendtrans-78109.5161.5-175.80000107.1
1272P41.7Very low44.7Very low105 Ų105140.3 Ų140.368%0.68270%0.696SS**  trans-66.3147.1-176.9-1631.7000109.7T1270 I1274T1270-P1272 VanDerWaalsContact O-CD 3.23Å; T1270-P1272 WeakPolarHBondContact O-CD 3.32Å; P1272-I1274 PolarHBondContact O-N 3.22Å
1273K40.7Very low44.3Very low202 Ų202143.5 Ų143.588%0.87871%0.712SS**  trans-46.9106.1169.8-66.8170.2178.4175.30109.8R1275K1273-R1275 PolarHBondContact O-N 3.18Å
1274I40.3Very low43.7Very low163 Ų163151.6 Ų151.684%0.83674%0.739SS**  trans-62.1125.4159.6-62.3176000105.3P1272P1272-I1274 PolarHBondContact O-N 3.22Å
1275R34.2Very low43.3Very low312 Ų312151.6 Ų151.6100%1.17775%0.746SS**  trans-76.70179.1-75.6178.5170.6165.9-4111K1273K1273-R1275 PolarHBondContact O-N 3.18Å

Retrieved 1,275 of 1,275 residues in 862.3 ms (Link to these results)