A0A087WV04_HUMAN Loading...

SUN domain containing ossification factor

AlphaFold DB , UniProt , Accession A0A087WV04, Species HUMAN (Homo sapiens, Human), Gene SUCO, Length 691 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.1Very low39.1Very low245 Ų245143.8 Ų143.8100%1.20779%0.79SS**  0112.20-173.116277.800106.4
2E38.6Very low39Very low144 Ų144141.2 Ų141.267%0.67379%0.789SS**  trans-120.7171.9176.6-112.3-144.6101.900107.5T5E2-T5 PolarHBondContact OE1-OG1 2.82Å
3P44.7Very low39.3Very low108 Ų108140.2 Ų140.270%0.70179%0.793SS**  cis-126.9167.38.740.2-26.4000115.4
4S30.2Very low39.6Very low120 Ų120141.5 Ų141.584%0.83979%0.794SS**  trans-156.376.9139.966.70000110.3
5T36.3Very low39.1Very low107 Ų107140.5 Ų140.566%0.65679%0.792SS**  trans-130.1163.5170.551.40000108.4E2E2-T5 PolarHBondContact OE1-OG1 2.82Å
6P50.2Low38.7Very low105 Ų105142.6 Ų142.668%0.68279%0.794SS**  cis-123.7-171.3-23.239.3-24.4000111.5
7D30.1Very low38.7Very low158 Ų158142.6 Ų142.685%0.84579%0.791SS**  -158.4141.7126-117.7-16.5000111.4
8T37.2Very low38.7Very low119 Ų119141.7 Ų141.773%0.7379%0.79SS**  trans-157.3-176.8-173.965.50000109.5
9P50.7Low38.5Very low107 Ų107141.3 Ų141.370%0.69578%0.781SS**  cis-118.9-173.9-40.636.2-22.3000110.8
10K30.7Very low38.7Very low195 Ų195143.8 Ų143.885%0.84879%0.787SS**  -177.1159.6128.4-101.4159-172.4177.40114
11E37.7Very low38.5Very low174 Ų174143.7 Ų143.781%0.81378%0.781SS**  trans-93.1167.4-173.2-63.4144.6103.600113.7
12S37.6Very low38.1Very low112 Ų112140.6 Ų140.678%0.78376%0.763SS**  trans24.7133.1140.9-53.30000119.5
13P42.5Very low38.3Very low129 Ų129143.4 Ų143.484%0.83878%0.776SS**  -143.2167.778.539.9-25.3000117.4
14I43.1Very low37.8Very low158 Ų158147.3 Ų147.381%0.8179%0.785SS**  trans-61130.1177.3-60.8147.4000112.5
15V32.9Very low38.1Very low126 Ų126145.9 Ų145.976%0.76478%0.781SS**  trans-140.4121.2142.9-179.10000107.8
16Q32.9Very low37.8Very low175 Ų175146.3 Ų146.382%0.81879%0.788SS**  trans-84113.2168.2179.5172.2-9.100108V18Q16-V18 PolarHBondContact O-N 3.08Å
17L37.8Very low37.2Very low142 Ų142147.1 Ų147.174%0.74379%0.793SS**  trans-69.7129.2167.5-76.489.3000108.7
18V38.5Very low37.3Very low127 Ų127144.8 Ų144.877%0.7779%0.79SS**  trans-76.8113.7153.6175.90000105.5Q16Q16-V18 PolarHBondContact O-N 3.08Å
19Q35.6Very low37.2Very low134 Ų134145.2 Ų145.263%0.62679%0.792SS**  trans-90.9108.7176.8-169.2153.1-3.900108.2E21Q19-E21 HydrophobicContact CG-CB 4.46Å; Q19-E21 HydrophobicContact CG-CG 4Å; Q19-E21 PolarHBondContact NE2-OE1 3.45Å; Q19-E21 PolarHBondContact NE2-OE2 3Å; Q19-E21 VanDerWaalsContact NE2-OE2 3.12Å; Q19-E21 PolarHBondContact O-N 3.34Å
20E43Very low36.6Very low191 Ų191146 Ų14689%0.89380%0.795SS**  trans-78.987.3170.6-68.2-177.9137.600109.1
21E33.6Very low36.6Very low142 Ų142143.1 Ų143.166%0.66479%0.794SS**  trans-142.2146.5169.7-73.1173.2-172.900108.1Q19Q19-E21 HydrophobicContact CG-CB 4.46Å; Q19-E21 HydrophobicContact CG-CG 4Å; Q19-E21 PolarHBondContact NE2-OE1 3.45Å; Q19-E21 PolarHBondContact NE2-OE2 3Å; Q19-E21 VanDerWaalsContact NE2-OE2 3.12Å; Q19-E21 PolarHBondContact O-N 3.34Å
22E36.4Very low36.4Very low180 Ų180142.2 Ų142.284%0.84179%0.793SS**  cis-160.2149.3-28.8-174.1165-162.600104.5E24E22-E24 PolarHBondContact O-N 3.41Å
23E42.8Very low36.2Very low202 Ų202144.7 Ų144.794%0.94480%0.797SS**  trans-81.598.9-178.4-174.5-177.3178.700110.8
24E33.8Very low35.6Very low190 Ų190142.2 Ų142.289%0.88880%0.795SS**  trans-130.5152.2171.9-156.3170.1-143.200115.3E22E22-E24 PolarHBondContact O-N 3.41Å
25A35.8Very low35.2Very low90 Ų90141 Ų14174%0.74480%0.801SS**PPolyproline II helixtrans-52.6151.4-161.200000119.1
26S30.6Very low35.1Very low117 Ų117138.1 Ų138.182%0.81880%0.796SS**PPolyproline II helixtrans-68.7139.8172-39.90000113.3
27P38Very low35.2Very low121 Ų121139.4 Ų139.479%0.78680%0.802SS**PPolyproline II helixtrans-78.8136.1166.431.7-32.9000111.6
28S32.9Very low35.5Very low110 Ų110139.9 Ų139.977%0.76980%0.801SS**PPolyproline II helixtrans-69.9138.2176.5179.80000112.3
29T34.6Very low35.3Very low127 Ų127143.5 Ų143.578%0.77981%0.809SS**  trans-123.9128.1165.5-62.30000109.4
30V36.9Very low35.2Very low125 Ų125142.2 Ų142.276%0.75881%0.806SS**  trans-95.5134.4178.7173.30000110.2
31T31.8Very low35.4Very low134 Ų134142.6 Ų142.682%0.82281%0.808SS**  trans-126.7138.8165-52.20000109.4
32L32.7Very low35.2Very low154 Ų154140.5 Ų140.581%0.80681%0.809SS**  trans-95157.9-172.6-125.8162.3000111.4
33L33.9Very low35Very low165 Ų165136.2 Ų136.286%0.86480%0.799SS**  trans-60.7139.1-174.7-7879.8000113.8
34G29.4Very low35.1Very low76 Ų76132.2 Ų132.278%0.78479%0.791SS**  trans-105.8153.8148.800000109.7
35S35.8Very low35.4Very low134 Ų134130.4 Ų130.494%0.93778%0.776SS**  trans-103.3142.7-168.4-177.60000113.6
36G31.4Very low35.4Very low65 Ų65133.1 Ų133.167%0.6777%0.771SS**  trans113.8127.3173.500000112.3
37E34.9Very low36.1Very low202 Ų202135.2 Ų135.294%0.94477%0.768SS**  cis-132.3177.5-0.7-67.5-173.2116.300111.5
38Q42.2Very low36.2Very low151 Ų151132.7 Ų132.771%0.70675%0.753SS**  trans-105.4100.5-157178.2178.1-7.700112.7D40Q38-D40 VanDerWaalsContact NE2-CG 3.3Å; Q38-D40 PolarHBondContact NE2-OD1 3.36Å; Q38-D40 PolarHBondContact NE2-OD2 3.28Å; Q38-D40 PolarHBondContact O-N 3.2Å
39E34.5Very low36.6Very low203 Ų203131.8 Ų131.895%0.94974%0.737SS**  trans-89.992.6162.6-70.8-161.7142.800109.8
40D34.4Very low37.2Very low107 Ų107129.4 Ų129.457%0.57272%0.722SS**  trans-73.7136179.8-92.1-19.5000113.3Q38 S42Q38-D40 VanDerWaalsContact NE2-CG 3.3Å; Q38-D40 PolarHBondContact NE2-OD1 3.36Å; Q38-D40 PolarHBondContact NE2-OD2 3.28Å; Q38-D40 PolarHBondContact O-N 3.2Å; D40-S42 WeakPolarHBondContact O-CB 3.2Å; D40-S42 PolarHBondContact O-N 3.02Å; D40-S42 PolarHBondContact O-OG 3.17Å
41E46.2Very low37.4Very low200 Ų200130.6 Ų130.694%0.93572%0.72SS**  trans-53.399.7167.1-174.7-174.7160.100111.4
42S29.5Very low38.2Very low97 Ų97129.3 Ų129.368%0.67871%0.707SS**  trans-12151.5-165.140.20000115.4D40D40-S42 WeakPolarHBondContact O-CB 3.2Å; D40-S42 PolarHBondContact O-N 3.02Å; D40-S42 PolarHBondContact O-OG 3.17Å
43S33.3Very low38.5Very low91 Ų91129.5 Ų129.564%0.63670%0.701SS**  trans65.5139.3152-62.80000120.2W45S43-W45 PolarHBondContact O-N 3.28Å
44P45.7Very low38.8Very low118 Ų118125.9 Ų125.977%0.76669%0.689SS**THydrogen-bonded Turntrans-79.543.2179.936.4-38.8000113.8
45W38.2Very low39.2Very low152 Ų152126 Ų12658%0.57668%0.678SS**THydrogen-bonded Turntrans-83-40.1-17477.1-80.5000113.2S43 E47 S48 E49S43-W45 PolarHBondContact O-N 3.28Å; W45-E47 VanDerWaalsContact C-N 3.3Å; W45-E47 PolarHBondContact O-N 2.96Å; W45-S48 PolarHBondContact O-N 3.4Å; W45-S48 VanDerWaalsContact O-N 3.13Å; W45-S48 PolarHBondContact O-OG 3.24Å; W45-E49 PolarHBondContact O-N 3.49Å
46F37.5Very low39.4Very low146 Ų146128.1 Ų128.164%0.6467%0.673SS**Hα-helixtrans-62-33.5-174.1-168.3-101.9000113.8S48 T50F46-S48 VanDerWaalsContact C-N 3.33Å; F46-S48 PolarHBondContact O-N 2.97Å; F46-T50 PolarHBondContact O-N 3.13Å; F46-T50 PolarHBondContact O-OG1 3.18Å
47E43.7Very low39.9Very low161 Ų161129.7 Ų129.775%0.75267%0.665SS**Hα-helixtrans-70.4-30.8179.4-145.4170.8-158.100111.9W45 Q51W45-E47 VanDerWaalsContact C-N 3.3Å; W45-E47 PolarHBondContact O-N 2.96Å; E47-Q51 PolarHBondContact O-N 3Å
48S41.1Very low40.1Very low68 Ų68126.2 Ų126.248%0.47666%0.658SS.*Hα-helixtrans-72.8-41.4179750000112.9W45 F46 Q51 I52W45-S48 PolarHBondContact O-N 3.4Å; W45-S48 VanDerWaalsContact O-N 3.13Å; W45-S48 PolarHBondContact O-OG 3.24Å; F46-S48 VanDerWaalsContact C-N 3.33Å; F46-S48 PolarHBondContact O-N 2.97Å; S48-Q51 PolarHBondContact O-N 3.22Å; S48-I52 WeakPolarHBondContact O-CG1 3.38Å; S48-I52 PolarHBondContact O-N 2.9Å
49E41.6Very low40.4Very low92 Ų92125.3 Ų125.343%0.4366%0.663SS.*Hα-helixtrans-68.4-38.1-179.7-169.1166.4-137.300111.2W45 Q51 I52 F53W45-E49 PolarHBondContact O-N 3.49Å; E49-Q51 VanDerWaalsContact C-N 3.25Å; E49-Q51 PolarHBondContact O-N 3.18Å; E49-I52 PolarHBondContact O-N 2.92Å; E49-F53 HydrophobicContact CG-CD2 4.09Å; E49-F53 HydrophobicContact CG-CE2 3.93Å; E49-F53 WeakPolarHBondContact O-CD2 3.41Å; E49-F53 PolarHBondContact O-N 3.17Å
50T46.6Very low40.6Very low76 Ų76119.9 Ų119.947%0.46664%0.64SS.*Hα-helixtrans-60.5-34.2175-54.40000112F46 C54F46-T50 PolarHBondContact O-N 3.13Å; F46-T50 PolarHBondContact O-OG1 3.18Å; T50-C54 PolarHBondContact O-SG 3.05Å
51Q41.3Very low40.7Very low150 Ų150120.2 Ų120.270%0.70165%0.649SS**Hα-helixtrans-77.1-30.5179.5-167.5166.481.900113.1E47 S48 E49E47-Q51 PolarHBondContact O-N 3Å; S48-Q51 PolarHBondContact O-N 3.22Å; E49-Q51 VanDerWaalsContact C-N 3.25Å; E49-Q51 PolarHBondContact O-N 3.18Å
52I48.2Very low40.6Very low108 Ų108117.4 Ų117.455%0.55465%0.65SS**Hα-helixtrans-65.7-53.6177-68.4167.3000110.3S48 E49 C54 S55S48-I52 WeakPolarHBondContact O-CG1 3.38Å; S48-I52 PolarHBondContact O-N 2.9Å; E49-I52 PolarHBondContact O-N 2.92Å; I52-C54 VanDerWaalsContact C-N 3.28Å; I52-C54 PolarHBondContact O-N 2.83Å; I52-S55 PolarHBondContact O-N 3.11Å; I52-S55 PolarHBondContact O-OG 3.13Å
53F39.5Very low41.2Very low157 Ų157119.3 Ų119.369%0.68965%0.651SS**Hα-helixtrans-66.9-22.1-176.6-78.4-73.3000114.9E49E49-F53 HydrophobicContact CG-CD2 4.09Å; E49-F53 HydrophobicContact CG-CE2 3.93Å; E49-F53 WeakPolarHBondContact O-CD2 3.41Å; E49-F53 PolarHBondContact O-N 3.17Å
54C40Very low41.8Very low90 Ų90120.9 Ų120.961%0.60866%0.662SS**Hα-helixtrans-86.8-12.3178.1-71.70000114.5T50 I52T50-C54 PolarHBondContact O-SG 3.05Å; I52-C54 VanDerWaalsContact C-N 3.28Å; I52-C54 PolarHBondContact O-N 2.83Å
55S37Very low42.2Very low78 Ų78117.1 Ų117.155%0.54564%0.638SS.*Hα-helixtrans-76.8-34.4-171.666.10000114.6I52I52-S55 PolarHBondContact O-N 3.11Å; I52-S55 PolarHBondContact O-OG 3.13Å
56E41.2Very low43Very low178 Ų178117.3 Ų117.383%0.83264%0.643SS**SBendtrans-79.7-12.9177.5-67.1-159.8131.600113.9T58E56-T58 VanDerWaalsContact C-N 3.3Å; E56-T58 PolarHBondContact O-N 3.38Å
57L40.8Very low44.1Very low98 Ų98114 Ų11451%0.51364%0.639SS.*  trans-88.921.7-168.8-138.177.7000115.4T59 I60L57-T59 PolarHBondContact O-N 2.89Å; L57-I60 HydrophobicContact CD1-CD1 4.49Å; L57-I60 HydrophobicContact CD2-CB 4.25Å; L57-I60 HydrophobicContact CG-CB 4.15Å; L57-I60 PolarHBondContact O-N 3.21Å; L57-I60 VanDerWaalsContact O-N 3.08Å
58T39.8Very low45.3Very low130 Ų130110.9 Ų110.980%0.79862%0.624SS**THydrogen-bonded Turntrans-6615-178.341.80000115.6E56E56-T58 VanDerWaalsContact C-N 3.3Å; E56-T58 PolarHBondContact O-N 3.38Å
59T48.6Very low46.7Very low132 Ų132114.3 Ų114.381%0.8163%0.627SS**THydrogen-bonded Turntrans-131.75.217250.90000114.8L57L57-T59 PolarHBondContact O-N 2.89Å
60I38.7Very low48.4Very low89 Ų89113.3 Ų113.346%0.45662%0.624SS.*  trans-129.7105.1175.1-52.1-179.6000109.9L57L57-I60 HydrophobicContact CD1-CD1 4.49Å; L57-I60 HydrophobicContact CD2-CB 4.25Å; L57-I60 HydrophobicContact CG-CB 4.15Å; L57-I60 PolarHBondContact O-N 3.21Å; L57-I60 VanDerWaalsContact O-N 3.08Å
61C35.5Very low49.8Very low114 Ų114117.6 Ų117.677%0.7763%0.633SS**  trans-64.1156.7174-60.90000112I63C61-I63 PolarHBondContact O-N 3.18Å
62C44.5Very low51.5Low140 Ų140116.8 Ų116.895%0.94663%0.627SS**SBendtrans-71.256.4178.9-590000114.4
63I42.2Very low53Low138 Ų138118.4 Ų118.471%0.70863%0.627SS**  trans-132.5105.9157.1-56177.7000105.7C61 S65C61-I63 PolarHBondContact O-N 3.18Å; I63-S65 PolarHBondContact O-N 2.84Å
64S45.2Very low54.7Low124 Ų124114.1 Ų114.187%0.86762%0.615SS**  trans-67.586.417346.50000109.2F66S64-F66 PolarHBondContact O-N 2.93Å
65S55.4Low56.4Low38 Ų38112.3 Ų112.327%0.26660%0.604SS.*  trans-61.3135.3-158.9750000112.5I63 S67 E68 Y69I63-S65 PolarHBondContact O-N 2.84Å; S65-S67 VanDerWaalsContact CB-OG 3.29Å; S65-S67 WeakPolarHBondContact CB-OG 3.3Å; S65-S67 PolarHBondContact O-N 3.33Å; S65-S67 PolarHBondContact OG-OG 3.39Å; S65-E68 PolarHBondContact O-N 2.81Å; S65-E68 PolarHBondContact OG-N 3.19Å; S65-Y69 PolarHBondContact O-N 3.35Å
66F55.5Low58.6Low156 Ų156112.4 Ų112.468%0.68460%0.601SS**Hα-helixtrans-52.5-30.1173.1175.8-106.9000112S64 E68 Y69 I70S64-F66 PolarHBondContact O-N 2.93Å; F66-E68 PolarHBondContact O-N 3.47Å; F66-Y69 PolarHBondContact O-N 3.36Å; F66-I70 HydrophobicContact CD1-CG1 4.05Å; F66-I70 HydrophobicContact CD2-CG1 4.31Å; F66-I70 HydrophobicContact CE1-CD1 4.23Å; F66-I70 HydrophobicContact CE1-CG1 3.71Å; F66-I70 HydrophobicContact CE2-CD1 4.07Å; F66-I70 HydrophobicContact CE2-CG1 3.99Å; F66-I70 HydrophobicContact CG-CG1 4.35Å; F66-I70 HydrophobicContact CZ-CD1 3.74Å; F66-I70 HydrophobicContact CZ-CG1 3.68Å; F66-I70 WeakPolarHBondContact O-CB 3.45Å; F66-I70 VanDerWaalsContact O-CG1 3.28Å; F66-I70 WeakPolarHBondContact O-CG1 3.34Å; F66-I70 PolarHBondContact O-N 3.06Å
67S60.6Low60.4Low78 Ų78112.8 Ų112.855%0.54560%0.595SS.*Hα-helixtrans-59.9-37.5171.531.40000114.4S65 Y71S65-S67 VanDerWaalsContact CB-OG 3.29Å; S65-S67 WeakPolarHBondContact CB-OG 3.3Å; S65-S67 PolarHBondContact O-N 3.33Å; S65-S67 PolarHBondContact OG-OG 3.39Å; S67-Y71 WeakPolarHBondContact O-CB 3.37Å; S67-Y71 PolarHBondContact O-N 3.32Å
68E69.1Low62.3Low95 Ų95111.8 Ų111.844%0.44459%0.592SS.*Hα-helixtrans-70-42175.5-75.6-154.3171.500112.3S65 F66 I70 Y71 K72S65-E68 PolarHBondContact O-N 2.81Å; S65-E68 PolarHBondContact OG-N 3.19Å; F66-E68 PolarHBondContact O-N 3.47Å; E68-I70 VanDerWaalsContact C-N 3.34Å; E68-Y71 PolarHBondContact O-N 3.21Å; E68-K72 WeakPolarHBondContact O-CB 3.5Å; E68-K72 WeakPolarHBondContact O-CG 3.49Å; E68-K72 PolarHBondContact O-N 2.85Å; E68-K72 IonicContact OE2-NZ 3.75Å
69Y70.3Confident64.2Low139 Ų139108.1 Ų108.155%0.54558%0.576SS.*Hα-helixtrans-59.8-47.3175.9177.2-99.4000110.7S65 F66 K72 W73S65-Y69 PolarHBondContact O-N 3.35Å; F66-Y69 PolarHBondContact O-N 3.36Å; Y69-K72 PolarHBondContact O-N 2.9Å; Y69-W73 AromaticContact CE1-CD1 3.66Å; Y69-W73 AromaticContact CE1-NE1 3.86Å; Y69-W73 AromaticContact CE2-CD1 3.61Å; Y69-W73 AromaticContact CE2-NE1 3.44Å; Y69-W73 AromaticContact CZ-CD1 3.41Å; Y69-W73 VanDerWaalsContact CZ-CD1 3.41Å; Y69-W73 AromaticContact CZ-NE1 3.18Å; Y69-W73 WeakPolarHBondContact O-CB 3.16Å; Y69-W73 PolarHBondContact O-N 2.85Å; Y69-W73 PolarHBondContact OH-NE1 3.32Å
70I75.5Confident65.6Low71 Ų71105.7 Ų105.736%0.36456%0.557SS.*Hα-helixtrans-63.6-41.5174.7-67.9-64.8000111.3F66 E68 W73 C74F66-I70 HydrophobicContact CD1-CG1 4.05Å; F66-I70 HydrophobicContact CD2-CG1 4.31Å; F66-I70 HydrophobicContact CE1-CD1 4.23Å; F66-I70 HydrophobicContact CE1-CG1 3.71Å; F66-I70 HydrophobicContact CE2-CD1 4.07Å; F66-I70 HydrophobicContact CE2-CG1 3.99Å; F66-I70 HydrophobicContact CG-CG1 4.35Å; F66-I70 HydrophobicContact CZ-CD1 3.74Å; F66-I70 HydrophobicContact CZ-CG1 3.68Å; F66-I70 WeakPolarHBondContact O-CB 3.45Å; F66-I70 VanDerWaalsContact O-CG1 3.28Å; F66-I70 WeakPolarHBondContact O-CG1 3.34Å; F66-I70 PolarHBondContact O-N 3.06Å; E68-I70 VanDerWaalsContact C-N 3.34Å; I70-W73 PolarHBondContact O-N 3.48Å; I70-C74 VanDerWaalsContact O-CB 3.29Å; I70-C74 WeakPolarHBondContact O-CB 3.45Å; I70-C74 PolarHBondContact O-N 3.31Å; I70-C74 PolarHBondContact O-SG 2.91Å; I70-C74 VanDerWaalsContact O-SG 3.39Å
71Y77.7Confident67.3Low167 Ų167110.2 Ų110.266%0.65557%0.57SS**Hα-helixtrans-64.3-42178.5-175.3-101.6000112.4S67 E68 S75S67-Y71 WeakPolarHBondContact O-CB 3.37Å; S67-Y71 PolarHBondContact O-N 3.32Å; E68-Y71 PolarHBondContact O-N 3.21Å; Y71-S75 VanDerWaalsContact O-CB 3.3Å; Y71-S75 WeakPolarHBondContact O-CB 3.35Å; Y71-S75 PolarHBondContact O-N 2.92Å; Y71-S75 PolarHBondContact O-OG 3.39Å
72K77.3Confident69.2Low133 Ų133112.9 Ų112.958%0.57856%0.564SS**Hα-helixtrans-63.8-44.8173.3-74.3172.4179.1161.30111E68 Y69 S75 V76E68-K72 WeakPolarHBondContact O-CB 3.5Å; E68-K72 WeakPolarHBondContact O-CG 3.49Å; E68-K72 PolarHBondContact O-N 2.85Å; E68-K72 IonicContact OE2-NZ 3.75Å; Y69-K72 PolarHBondContact O-N 2.9Å; K72-S75 WeakPolarHBondContact O-CB 3.17Å; K72-S75 PolarHBondContact O-N 3.48Å; K72-V76 WeakPolarHBondContact O-CG2 3.37Å; K72-V76 PolarHBondContact O-N 3.39Å
73W78Confident70.5Confident141 Ų141112.1 Ų112.153%0.53455%0.546SS..Hα-helixtrans-64.2-40.8175.6-96.595.2000114.1Y69 I70 V76 R77Y69-W73 AromaticContact CE1-CD1 3.66Å; Y69-W73 AromaticContact CE1-NE1 3.86Å; Y69-W73 AromaticContact CE2-CD1 3.61Å; Y69-W73 AromaticContact CE2-NE1 3.44Å; Y69-W73 AromaticContact CZ-CD1 3.41Å; Y69-W73 VanDerWaalsContact CZ-CD1 3.41Å; Y69-W73 AromaticContact CZ-NE1 3.18Å; Y69-W73 WeakPolarHBondContact O-CB 3.16Å; Y69-W73 PolarHBondContact O-N 2.85Å; Y69-W73 PolarHBondContact OH-NE1 3.32Å; I70-W73 PolarHBondContact O-N 3.48Å; W73-V76 PolarHBondContact O-N 3.37Å; W73-R77 WeakPolarHBondContact O-CB 3.39Å; W73-R77 PolarHBondContact O-N 3.48Å
74C75.4Confident71.8Confident67 Ų67114.7 Ų114.745%0.45355%0.547SS..Hα-helixtrans-62.8-43.2172.7-78.60000110.7I70 R77 V78I70-C74 VanDerWaalsContact O-CB 3.29Å; I70-C74 WeakPolarHBondContact O-CB 3.45Å; I70-C74 PolarHBondContact O-N 3.31Å; I70-C74 PolarHBondContact O-SG 2.91Å; I70-C74 VanDerWaalsContact O-SG 3.39Å; C74-R77 PolarHBondContact O-N 3.47Å; C74-V78 WeakPolarHBondContact O-CB 3.29Å; C74-V78 VanDerWaalsContact O-CG2 3.29Å; C74-V78 WeakPolarHBondContact O-CG2 3.44Å; C74-V78 PolarHBondContact O-N 3.3Å
75S76.6Confident72.7Confident52 Ų52111.7 Ų111.736%0.36453%0.526SS..Hα-helixtrans-61.8-45176.9-61.80000112Y71 K72 V78 A79Y71-S75 VanDerWaalsContact O-CB 3.3Å; Y71-S75 WeakPolarHBondContact O-CB 3.35Å; Y71-S75 PolarHBondContact O-N 2.92Å; Y71-S75 PolarHBondContact O-OG 3.39Å; K72-S75 WeakPolarHBondContact O-CB 3.17Å; K72-S75 PolarHBondContact O-N 3.48Å; S75-V78 PolarHBondContact O-N 3.33Å; S75-A79 WeakPolarHBondContact O-CB 3.35Å; S75-A79 PolarHBondContact O-N 2.91Å
76V83.4Confident73.1Confident80 Ų80119.4 Ų119.449%0.48555%0.549SS..Hα-helixtrans-63.8-43.3174.9171.20000111.4K72 W73 V78 A79 L80K72-V76 WeakPolarHBondContact O-CG2 3.37Å; K72-V76 PolarHBondContact O-N 3.39Å; W73-V76 PolarHBondContact O-N 3.37Å; V76-V78 PolarHBondContact O-N 2.86Å; V76-A79 PolarHBondContact O-N 2.83Å; V76-L80 HydrophobicContact CG1-CD1 3.99Å; V76-L80 HydrophobicContact CG1-CG 4.47Å; V76-L80 WeakPolarHBondContact O-CB 3.28Å; V76-L80 WeakPolarHBondContact O-CG 3.41Å; V76-L80 PolarHBondContact O-N 3.3Å
77R78.9Confident73.1Confident186 Ų186115.6 Ų115.670%0.70254%0.539SS*.Hα-helixtrans-60.9-43.1173.8-90.2-173.8135.1-165.2-3.2112.4W73 C74 L80 Y81W73-R77 WeakPolarHBondContact O-CB 3.39Å; W73-R77 PolarHBondContact O-N 3.48Å; C74-R77 PolarHBondContact O-N 3.47Å; R77-L80 PolarHBondContact O-N 2.86Å; R77-Y81 WeakPolarHBondContact O-CB 3.34Å; R77-Y81 PolarHBondContact O-N 3.46Å
78V80.2Confident72.8Confident77 Ų77115.2 Ų115.247%0.46754%0.54SS..Hα-helixtrans-67.1-38.4177.5169.90000111.3C74 S75 V76 Y81 R82C74-V78 WeakPolarHBondContact O-CB 3.29Å; C74-V78 VanDerWaalsContact O-CG2 3.29Å; C74-V78 WeakPolarHBondContact O-CG2 3.44Å; C74-V78 PolarHBondContact O-N 3.3Å; S75-V78 PolarHBondContact O-N 3.33Å; V76-V78 PolarHBondContact O-N 2.86Å; V78-Y81 PolarHBondContact O-N 3.21Å; V78-R82 WeakPolarHBondContact O-CB 3.49Å; V78-R82 WeakPolarHBondContact O-CG 3.25Å; V78-R82 PolarHBondContact O-N 3.44Å
79A78.8Confident71.9Confident54 Ų54117.2 Ų117.245%0.44655%0.553SS.*Hα-helixtrans-62.6-50.2173.700000111.5S75 V76 Y81 R82 Q83S75-A79 WeakPolarHBondContact O-CB 3.35Å; S75-A79 PolarHBondContact O-N 2.91Å; V76-A79 PolarHBondContact O-N 2.83Å; A79-Y81 VanDerWaalsContact C-N 3.29Å; A79-Y81 PolarHBondContact O-N 3.48Å; A79-R82 PolarHBondContact O-N 3.23Å; A79-Q83 WeakPolarHBondContact O-CB 3.32Å; A79-Q83 PolarHBondContact O-N 3.44Å
80L78.3Confident71Confident81 Ų81114 Ų11442%0.42455%0.551SS.*Hα-helixtrans-60.3-36.6175.6-72.8169.9000112.4V76 R77 Q83 R84V76-L80 HydrophobicContact CG1-CD1 3.99Å; V76-L80 HydrophobicContact CG1-CG 4.47Å; V76-L80 WeakPolarHBondContact O-CB 3.28Å; V76-L80 WeakPolarHBondContact O-CG 3.41Å; V76-L80 PolarHBondContact O-N 3.3Å; R77-L80 PolarHBondContact O-N 2.86Å; L80-Q83 PolarHBondContact O-N 2.85Å; L80-R84 WeakPolarHBondContact O-CB 3.4Å; L80-R84 WeakPolarHBondContact O-CG 3.47Å; L80-R84 PolarHBondContact O-N 3.47Å
81Y75.5Confident69.7Low183 Ų183119.2 Ų119.272%0.71857%0.571SS**Hα-helixtrans-69.3-42.5176-156.5-85.7000111.9R77 V78 A79 Q83 R84 S85R77-Y81 WeakPolarHBondContact O-CB 3.34Å; R77-Y81 PolarHBondContact O-N 3.46Å; V78-Y81 PolarHBondContact O-N 3.21Å; A79-Y81 VanDerWaalsContact C-N 3.29Å; A79-Y81 PolarHBondContact O-N 3.48Å; Y81-Q83 VanDerWaalsContact C-N 3.33Å; Y81-R84 PolarHBondContact O-N 2.88Å; Y81-S85 WeakPolarHBondContact O-CB 3.36Å; Y81-S85 PolarHBondContact O-N 3.31Å; Y81-S85 PolarHBondContact O-OG 2.77Å
82R75Confident68.1Low171 Ų171114.4 Ų114.465%0.64557%0.572SS**Hα-helixtrans-66-32.3173.3-75.1179.3175.8-161.1-0.3112.8V78 A79 S85 R86V78-R82 WeakPolarHBondContact O-CB 3.49Å; V78-R82 WeakPolarHBondContact O-CG 3.25Å; V78-R82 PolarHBondContact O-N 3.44Å; A79-R82 PolarHBondContact O-N 3.23Å; R82-S85 PolarHBondContact O-OG 3.25Å; R82-R86 WeakPolarHBondContact O-CB 3.38Å; R82-R86 VanDerWaalsContact O-CG 3.3Å; R82-R86 WeakPolarHBondContact O-CG 3.26Å; R82-R86 PolarHBondContact O-N 2.88Å
83Q72.6Confident66.5Low123 Ų123116.5 Ų116.558%0.57558%0.581SS**Hα-helixtrans-70.4-51.1174.7-169.4173.96.500110.2A79 L80 Y81 S85 R86 T87A79-Q83 WeakPolarHBondContact O-CB 3.32Å; A79-Q83 PolarHBondContact O-N 3.44Å; L80-Q83 PolarHBondContact O-N 2.85Å; Y81-Q83 VanDerWaalsContact C-N 3.33Å; Q83-S85 VanDerWaalsContact C-N 3.33Å; Q83-S85 PolarHBondContact O-N 2.89Å; Q83-R86 WeakPolarHBondContact O-CB 3.47Å; Q83-R86 PolarHBondContact O-N 2.9Å; Q83-R86 VanDerWaalsContact O-N 3.13Å; Q83-T87 PolarHBondContact O-N 2.9Å; Q83-T87 PolarHBondContact O-OG1 3.08Å; Q83-T87 VanDerWaalsContact O-OG1 3.06Å
84R68.5Low64.7Low192 Ų192116.2 Ų116.273%0.72559%0.59SS**Hα-helixtrans-59.5-38.8176.4-73.9177.6179.2-171.4-0.5112.8L80 Y81 T87 A88L80-R84 WeakPolarHBondContact O-CB 3.4Å; L80-R84 WeakPolarHBondContact O-CG 3.47Å; L80-R84 PolarHBondContact O-N 3.47Å; Y81-R84 PolarHBondContact O-N 2.88Å; R84-T87 PolarHBondContact O-N 3.48Å; R84-A88 WeakPolarHBondContact O-CB 3.48Å; R84-A88 PolarHBondContact O-N 2.82Å
85S63.7Low63Low61 Ų61124 Ų12443%0.42761%0.612SS.*Hα-helixtrans-69.6-33.3176.268.70000113Y81 R82 Q83 L89Y81-S85 WeakPolarHBondContact O-CB 3.36Å; Y81-S85 PolarHBondContact O-N 3.31Å; Y81-S85 PolarHBondContact O-OG 2.77Å; R82-S85 PolarHBondContact O-OG 3.25Å; Q83-S85 VanDerWaalsContact C-N 3.33Å; Q83-S85 PolarHBondContact O-N 2.89Å; S85-L89 WeakPolarHBondContact O-CB 3.37Å; S85-L89 PolarHBondContact O-N 2.9Å
86R63.6Low61.4Low201 Ų201129.5 Ų129.576%0.75864%0.636SS**Hα-helixtrans-66.2-43.2170.4-76.8175.3173.2-167.7-3.1112.2R82 Q83 A88 L89 S90R82-R86 WeakPolarHBondContact O-CB 3.38Å; R82-R86 VanDerWaalsContact O-CG 3.3Å; R82-R86 WeakPolarHBondContact O-CG 3.26Å; R82-R86 PolarHBondContact O-N 2.88Å; Q83-R86 WeakPolarHBondContact O-CB 3.47Å; Q83-R86 PolarHBondContact O-N 2.9Å; Q83-R86 VanDerWaalsContact O-N 3.13Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 3.46Å; R86-L89 PolarHBondContact O-N 2.87Å; R86-S90 PolarHBondContact O-N 2.9Å
87T56.3Low59Low76 Ų76131.9 Ų131.947%0.46665%0.651SS.*Hα-helixtrans-66.6-34.1175.8-43.70000112.5Q83 R84 S90 K91Q83-T87 PolarHBondContact O-N 2.9Å; Q83-T87 PolarHBondContact O-OG1 3.08Å; Q83-T87 VanDerWaalsContact O-OG1 3.06Å; R84-T87 PolarHBondContact O-N 3.48Å; T87-S90 PolarHBondContact O-OG 3.12Å; T87-K91 PolarHBondContact O-N 3.31Å
88A53.8Low56.7Low69 Ų69130.9 Ų130.957%0.5766%0.658SS**Hα-helixtrans-67-38.4172.700000112R84 R86R84-A88 WeakPolarHBondContact O-CB 3.48Å; R84-A88 PolarHBondContact O-N 2.82Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 3.46Å
89L51.2Low54.2Low138 Ų138132.1 Ų132.172%0.72368%0.677SS**Hα-helixtrans-73.4-32.4178.3-170.962.1000112.9S85 R86 G92S85-L89 WeakPolarHBondContact O-CB 3.37Å; S85-L89 PolarHBondContact O-N 2.9Å; R86-L89 PolarHBondContact O-N 2.87Å; L89-G92 PolarHBondContact O-N 2.82Å
90S51.6Low51.9Low70 Ų70137.9 Ų137.949%0.4970%0.695SS.*Hα-helixtrans-70.7-41.917571.40000112R86 T87 G92 K93R86-S90 PolarHBondContact O-N 2.9Å; T87-S90 PolarHBondContact O-OG 3.12Å; S90-G92 PolarHBondContact O-N 2.78Å; S90-K93 PolarHBondContact O-N 2.98Å
91K46.8Very low50.4Low181 Ų181138.3 Ų138.379%0.78770%0.702SS**THydrogen-bonded Turntrans-64.5-5.9174.3-82.6-164.1170.3-1700114.8T87T87-K91 PolarHBondContact O-N 3.31Å
92G45.3Very low48.5Very low66 Ų66135.7 Ų135.768%0.6871%0.708SS**THydrogen-bonded Turntrans-96.810177.100000115.4L89 S90L89-G92 PolarHBondContact O-N 2.82Å; S90-G92 PolarHBondContact O-N 2.78Å
93K43.8Very low46.3Very low177 Ų177134.8 Ų134.877%0.7772%0.715SS**SBendtrans-126.9-4.9-170.1-122.9174.3-178.8-1790117.6S90 Y95S90-K93 PolarHBondContact O-N 2.98Å; K93-Y95 PolarHBondContact O-N 3.5Å
94D40.1Very low44Very low135 Ų135137 Ų13772%0.72273%0.73SS**SBendtrans-101.357.6-176.5-59.1-40000112.9
95Y38.4Very low42Very low231 Ų231135.2 Ų135.291%0.90673%0.734SS**  trans-170.481158.8-93.3-60.2000111.7K93K93-Y95 PolarHBondContact O-N 3.5Å
96L42.7Very low41.2Very low167 Ų167138 Ų13887%0.87475%0.75SS**  trans-177.980.1143.1-101.9170000112.7
97V33.1Very low39.3Very low131 Ų131132.6 Ų132.679%0.79475%0.748SS**  trans28.4115.3135.2-178.10000119.6
98L31.8Very low37.9Very low164 Ų164137.8 Ų137.886%0.85977%0.767SS**  trans76.499.4141.8-157.376000121.3
99A28.1Very low36.8Very low103 Ų103138.8 Ų138.885%0.85177%0.77SS**  trans-150.1137.8137.200000110.2
100Q29.6Very low35.7Very low176 Ų176138 Ų13882%0.82277%0.771SS**  trans-158.5161.2-178.7-134.2-147.427.400108.6
101P46Very low34.5Very low89 Ų89140.8 Ų140.858%0.57878%0.78SS**  cis-113.3-158.3-25.733.6-14.3000110
102P36.9Very low33.6Very low129 Ų129138 Ų13884%0.83878%0.778SS**  -131.4165.583.738.5-28.8000114.6
103L29.1Very low32.9Very low152 Ų152139.4 Ų139.480%0.79678%0.777SS**  trans-80.8150.2-179.3-72.5154.9000112.6
104L24.7Very low32.2Very low169 Ų169136.7 Ų136.789%0.88578%0.776SS**  -168.6146.7115.6-100167.9000112.2
105L24.8Very low31.5Very low155 Ų155137.6 Ų137.681%0.81278%0.779SS**  trans-128.2178.7170.7-81.8173000106.5
106P46.7Very low31Very low120 Ų120134.3 Ų134.378%0.77977%0.772SS**  cis-130.5174.5-9.131.4-11.3000114.7
107A25.5Very low31Very low86 Ų86131.6 Ų131.671%0.71177%0.765SS**  trans-175.5120.8140.400000106.7
108E25.9Very low30.7Very low185 Ų185132.7 Ų132.786%0.86477%0.765SS**  75.3121.363.6-162.9176.6-164.900111.5
109S29.8Very low30.5Very low90 Ų90129.3 Ų129.363%0.62976%0.755SS**  cis-168.1-174.6-7.652.70000110.7
110V28.7Very low30.4Very low123 Ų123127.2 Ų127.275%0.74574%0.744SS**  trans68.1132.8152.4163.50000116.9
111D26.6Very low30.4Very low127 Ų127126.8 Ų126.868%0.67974%0.742SS**  cis-161.1148.6-12.9-122.514.4000108.6
112V28.4Very low29.7Very low123 Ų123128.9 Ų128.975%0.74575%0.747SS**  58.7133.197.4163.40000115.7
113S30.3Very low29.3Very low95 Ų95129.7 Ų129.766%0.66474%0.74SS**  cis-177.3-169.7-16.5-158.60000110.6
114V28.3Very low29.3Very low121 Ų121128.5 Ų128.573%0.73373%0.734SS**  trans73.4132.3142157.50000117.9
115L26Very low29.6Very low153 Ų153125.8 Ų125.880%0.80173%0.725SS**  cis-156.1169.4-4.2-116.5175.5000113.6
116Q28.8Very low29.9Very low162 Ų162125.1 Ų125.176%0.75772%0.722SS**  trans-139.1138.5169.5171.6-169.6300109.4
117P41.3Very low29.5Very low111 Ų111126 Ų12672%0.72172%0.719SS**  trans-140.5153.1136.715.37.8000113.3
118L27.7Very low29.7Very low153 Ų153128.2 Ų128.280%0.80172%0.715SS**  cis86.8128.833.4-171.275.2000113.4
119S28.2Very low30.3Very low93 Ų93129 Ų12965%0.6571%0.71SS**  cis-129.1-156.5-1.3-142.20000110
120G25.9Very low30.5Very low59 Ų59132.6 Ų132.661%0.60872%0.717SS**  cis-167.3163.45.100000110.3
121E29.3Very low30.4Very low167 Ų167131 Ų13178%0.7872%0.716SS**  62.7135.573-65.9-165.4103.200114
122L30.7Very low30.8Very low133 Ų133133.3 Ų133.370%0.69672%0.723SS**  cis-158.7-173.2-0.7-144.162.5000107.5
123E28.1Very low30.8Very low146 Ų146132.5 Ų132.568%0.68272%0.718SS**  cis-156.7-176.27.7-168.4160.1175.500112.9
124N29.8Very low30.8Very low127 Ų127134.3 Ų134.368%0.67973%0.725SS**  trans-52.2-174.4172.2-48.7-54.1000116.8
125T30.6Very low30.8Very low113 Ų113134.3 Ų134.369%0.69373%0.726SS**  cis-162.1132.834.354.30000113.1
126N31Very low31Very low140 Ų140135.4 Ų135.475%0.74973%0.731SS**  86.8137.995.7-72.9-44.4000122.6
127I37.8Very low30.8Very low139 Ų139131.5 Ų131.571%0.71373%0.734SS**  trans98.2127.8135.2-80.8164.4000125.1
128E31.3Very low30.1Very low133 Ų133133.7 Ų133.762%0.62174%0.74SS**  trans58.6127.3151.4-75.9-178.9110.600123.7
129R38.3Very low30.2Very low200 Ų200133.1 Ų133.176%0.75574%0.737SS**  81.1157.978.1-82.8-161.5-160130.817.5116
130E33.4Very low30.1Very low166 Ų166133.5 Ų133.578%0.77674%0.739SS**  cis178.5140.6-24.1-179.4166.8-117.300110.7
131A27.6Very low30.1Very low89 Ų89136.2 Ų136.274%0.73675%0.749SS**  trans173.3139.6162.600000109.2
132E34.5Very low29.9Very low177 Ų177132.8 Ų132.883%0.82774%0.744SS**  cis77.6131.936.5-67-145.4136.200114.6
133T28.4Very low29.9Very low105 Ų105133.3 Ų133.364%0.64474%0.744SS**  cis-166.7155.41126.30000113.2
134V29.7Very low30Very low133 Ų133133.9 Ų133.981%0.80675%0.746SS**  trans60.1150.4138.6166.60000121.4
135V28.9Very low29.9Very low122 Ų122136.6 Ų136.674%0.73976%0.755SS**  cis-173.8159.1-38.2105.20000109.7
136L29.3Very low29.8Very low176 Ų176137.2 Ų137.292%0.92175%0.754SS**  trans71.2149167.6-124.977.4000120.1
137G25.1Very low29.7Very low79 Ų79138.2 Ų138.281%0.81476%0.76SS**  trans149.5113.9165.700000113.5
138D26.6Very low29.8Very low157 Ų157139 Ų13984%0.8476%0.764SS**  trans-125.4174.1-172.4-156.3-11.3000111.7
139L29.2Very low30Very low141 Ų141138.6 Ų138.674%0.73877%0.771SS**  trans79.498.7164.9-64.3157.4000120.5
140S25.6Very low29.6Very low101 Ų101135.8 Ų135.871%0.70677%0.771SS**  54.4147.4112.9-54.30000124.1
141S26.6Very low29.5Very low116 Ų116136.3 Ų136.381%0.81177%0.773SS**  trans78.3147160.380.60000117.5
142S26.3Very low29.5Very low96 Ų96137.1 Ų137.167%0.67177%0.769SS**  cis-168.4-178.5-18.451.50000110.8
143M29.6Very low29.4Very low143 Ų143134.1 Ų134.170%0.70476%0.762SS**  trans84.5100.1165.3-54.6-69.690.300119.2
144H29.4Very low29.5Very low158 Ų158136.4 Ų136.473%0.73177%0.77SS**  trans28.7128.8135.7-54.6-80.1000121.3
145Q28.8Very low29.4Very low184 Ų184134.4 Ų134.486%0.8677%0.768SS**  -142.3158.2104.9-163.2149.821.600110.5
146D28.8Very low29.6Very low127 Ų127134.7 Ų134.768%0.67977%0.77SS**  trans-78.9137.5-168.2-42.2-92.9000113.2
147D29.4Very low29.8Very low160 Ų160134.8 Ų134.886%0.85677%0.766SS**  -173.9166.8108.3-124.1-37.7000113.1
148L39.7Very low29.9Very low155 Ų155139.3 Ų139.381%0.81277%0.77SS**SBendtrans6456.1157.8-144.872000120.9
149V34Very low30.1Very low125 Ų125140.2 Ų140.276%0.75877%0.77SS**  trans47.692.5138.8-1680000119.4
150N31.1Very low30.2Very low141 Ų141139.7 Ų139.775%0.75477%0.774SS**  trans61.684.8130.6-55.6-4.2000121.2
151H29.9Very low30.2Very low178 Ų178140.5 Ų140.582%0.82478%0.78SS**  19.3148.591-67.5-45.3000119.3
152T28.9Very low30.9Very low105 Ų105144.2 Ų144.264%0.64478%0.784SS**  cis-175.1133.9-1.3-102.80000112.4
153V31.5Very low30.9Very low115 Ų115144.7 Ų144.770%0.69779%0.788SS**  trans60.2135.4137.6-178.50000123.4
154D30.3Very low31.1Very low152 Ų152146.4 Ų146.481%0.81379%0.794SS**  trans75.8145.6152.5-78.5-20.2000125.1
155A29.4Very low31Very low92 Ų92145.2 Ų145.276%0.7680%0.798SS**  trans59.299.6158.100000118.8
156V32.3Very low30.9Very low128 Ų128143.5 Ų143.578%0.77679%0.794SS**  -164.3166.1108.1139.20000110.1
157E33.4Very low30.8Very low177 Ų177141.3 Ų141.383%0.82779%0.788SS**  trans-42.7141.3177.9-60.5154134.100114.3
158L27.3Very low30.9Very low174 Ų174142.5 Ų142.591%0.91179%0.789SS**  trans-124.8116.9168.1-75178.4000111.4
159E30.7Very low30.4Very low177 Ų177140 Ų14083%0.82778%0.784SS**  trans-63.5152.1166.2-171.7176.5150.600110.8
160P31.1Very low30.1Very low129 Ų129141.2 Ų141.284%0.83879%0.786SS**  trans-69.4136.6-169.9-19.633.2000113.8
161S26Very low30Very low118 Ų118142.4 Ų142.483%0.82579%0.791SS**  trans-123.7143167.9500000112
162H40.8Very low30.1Very low195 Ų195140 Ų14090%0.90378%0.783SS**  trans-74.9154.5-174.8-77.8-38.3000114.2
163S26.6Very low30Very low106 Ų106140.6 Ų140.674%0.74178%0.783SS**  trans-158.7151.5154.449.60000111.9
164Q33.9Very low30Very low178 Ų178141.6 Ų141.683%0.83278%0.783SS**  cis-169.3149.2-17.1-113.2171.329.100109.7
165T27.3Very low29.8Very low133 Ų133140.4 Ų140.482%0.81678%0.781SS**  trans169.9144.6142.639.40000109.1
166L26.8Very low30.3Very low148 Ų148140.3 Ų140.378%0.77577%0.773SS**  cis-156.4141.5-2.7-124.8168.4000111.8
167S27.4Very low30Very low81 Ų81142.9 Ų142.957%0.56678%0.777SS**  trans52.9122.514858.80000124.2
168Q30.6Very low29.8Very low186 Ų186142.1 Ų142.187%0.86978%0.776SS**  trans67.4147.6133.4-62.6173.819.400119.7
169S29.4Very low29.8Very low102 Ų102140.9 Ų140.971%0.71377%0.771SS**  cis-171.6175.5-2064.60000107
170L27.8Very low30.5Very low150 Ų150138 Ų13879%0.78577%0.767SS**  cis-155155.3-0.2-169.370.1000107.8
171L28.4Very low30.2Very low166 Ų166139.4 Ų139.487%0.86977%0.767SS**  trans-147.9141.5162.6-166.1129.9000112.4
172L32.4Very low31.1Very low127 Ų127138.3 Ų138.367%0.66576%0.757SS**  trans-116.3153.8174.4-72.2159.4000107.2
173D26.8Very low30.3Very low119 Ų119137.7 Ų137.764%0.63675%0.752SS**  cis-158.8170.82.6-137.6-16.9000111.8
174I30.3Very low30.4Very low135 Ų135138.9 Ų138.969%0.69275%0.749SS**  trans56104.3147-70.4157.8000120.2
175T26.5Very low30Very low127 Ų127138.5 Ų138.578%0.77975%0.747SS**  trans-26.4-167.2131.722.60000117.7
176P39.8Very low29.9Very low91 Ų91137.9 Ų137.959%0.59174%0.742SS**  cis-135.5162.84.739.7-20.7000118.5
177E26Very low30Very low181 Ų181135.6 Ų135.685%0.84674%0.739SS**  trans59.7171.6140.8-66.5177.4128.900118.7
178I30.6Very low29.8Very low161 Ų161139.4 Ų139.483%0.82675%0.748SS**  cis-141.5145.220.6-56.2159.3000111.4
179N26.7Very low29.6Very low149 Ų149135.6 Ų135.680%0.79774%0.742SS**  trans-105.3166.6171.1-101.9-37.7000110.5
180P44.6Very low29.4Very low115 Ų115136.6 Ų136.675%0.74774%0.743SS**  cis-137.9-169.1-5.235.7-13.3000114.9
181L25.3Very low29.3Very low159 Ų159136.7 Ų136.783%0.83274%0.74SS**  trans-62178.1158.7-123.364.5000112.2
182P44.5Very low29.2Very low96 Ų96138.3 Ų138.362%0.62374%0.736SS**  cis-139.4166.8-6.935.9-16.6000117.1
183K24.4Very low29Very low181 Ų181141.2 Ų141.279%0.78775%0.746SS**  157.8129.4123.4-88.8174.8179.2177.90116.7
184I29.4Very low29Very low131 Ų131139.9 Ų139.967%0.67275%0.751SS**  64.3124.5125.7-59.1174.9000121
185E25.8Very low28.7Very low171 Ų171136.4 Ų136.480%0.79975%0.749SS**  trans74.4121.2151-75.6172.6140.900124.4
186V24.9Very low28.7Very low119 Ų119139.8 Ų139.872%0.72176%0.756SS**  84.5122.1125.6169.40000121.1
187S27.9Very low28.3Very low101 Ų101142.6 Ų142.671%0.70676%0.764SS**  trans58.4153.1155.7-79.30000118.4
188E24.8Very low28.7Very low161 Ų161139.9 Ų139.975%0.75276%0.762SS**  cis168.3175.4-7.2175.6167.4-172.100105.2
189S26.3Very low28.4Very low105 Ų105137.5 Ų137.573%0.73476%0.759SS**  trans74.8153.8173.276.50000117.4
190V24.7Very low29.5Very low123 Ų123135.2 Ų135.275%0.74575%0.753SS**  -170.6163.8-69.546.90000106.6
191E26.1Very low28.5Very low153 Ų153136.7 Ų136.772%0.71576%0.759SS**  trans76.7121.5161.2-52.2-156.5115.400120.8
192Y25.8Very low28.6Very low199 Ų199136.2 Ų136.278%0.7876%0.756SS**  36.7158.5120.9-39-53.8000121.5
193E27.7Very low28.6Very low189 Ų189136.5 Ų136.588%0.88376%0.758SS**  cis-153.3-16112-147-176.614300112.4
194A26.5Very low28.6Very low91 Ų91135.2 Ų135.275%0.75276%0.755SS**  trans-55.4161.2-176.900000116
195G25.2Very low28.5Very low62 Ų62136.2 Ų136.264%0.63976%0.757SS**  cis112.8141.610.800000112.2
196H25.9Very low28.3Very low198 Ų198133.2 Ų133.292%0.91776%0.755SS**  trans-168.5159.1168.1-112.164.7000113.5
197I31.5Very low28.2Very low149 Ų149132.4 Ų132.476%0.76475%0.754SS**  trans-125.8162.7169.7-33.4177.5000107.7
198P34.9Very low28.1Very low125 Ų125133.1 Ų133.181%0.81275%0.754SS**  -146.3166109.437.6-22.1000116.7
199S24.6Very low28.2Very low110 Ų110133.3 Ų133.377%0.76976%0.755SS**  trans-89.7-155.3169.9-150.30000109.1
200P48Very low28.4Very low102 Ų102134.9 Ų134.966%0.66275%0.753SS**  cis-139.7172.6-11.341.8-23.9000117.2
201V24.4Very low28.6Very low145 Ų145134.8 Ų134.888%0.87975%0.749SS**  trans-142.5144.2150.3-176.30000109.7
202I27.1Very low28.7Very low149 Ų149132.7 Ų132.776%0.76474%0.743SS**  trans-159.2150.9-167.1-101.2163.6000106.4
203P44.8Very low28.9Very low102 Ų102130.8 Ų130.866%0.66274%0.741SS**  cis-149.5-160.741.943.1-20.9000117.2
204Q24.3Very low29Very low155 Ų155126.7 Ų126.772%0.72473%0.729SS**  trans76142.6148.7-78.2-164.3-38.300122
205E26.7Very low29.1Very low152 Ų152129.3 Ų129.371%0.7173%0.726SS**  cis-168164.1-20.8-139.4167.5-118.400112
206S21.8Very low29.1Very low108 Ų108133 Ų13376%0.75573%0.726SS**  trans68154.5162.776.20000119.5
207S24.1Very low29Very low101 Ų101131 Ų13171%0.70672%0.715SS**  cis-171167.3-25.5530000111.3
208V24.3Very low28.8Very low116 Ų116128.5 Ų128.570%0.70371%0.71SS**  trans69.8114169.6-170.10000114.8
209E27Very low28.4Very low166 Ų166130.5 Ų130.578%0.77671%0.709SS**  cis89.4156.437.8-165.6-176.9-115.900113.2
210I30.4Very low28.5Very low137 Ų137129.2 Ų129.270%0.70370%0.7SS**  trans77.1126177.4-51.6-178.5000114.1
211D28.7Very low27.5Very low122 Ų122134.1 Ų134.165%0.65271%0.711SS**  cis159.1162.3-15.3-97.613.2000104.4
212N28.7Very low27.7Very low109 Ų109132.4 Ų132.458%0.58371%0.706SS**  cis-153.9154.40.5-118.9-24.1000110.3
213E31.4Very low27.8Very low159 Ų159130.1 Ų130.174%0.74370%0.703SS**  trans40.4159132.2-69.4-177.6167.600123.3
214T29.4Very low27.1Very low103 Ų103133.2 Ų133.263%0.63271%0.712SS**  cis-141.2142.4-2-6.30000111
215E27.1Very low27.3Very low146 Ų146135.1 Ų135.168%0.68272%0.721SS**  trans24.9147.9133.9-75.5-150.4106.900124.2
216Q25.9Very low27.6Very low140 Ų140137 Ų13765%0.65473%0.727SS**  trans61.9142.4140.3-73.9-16962.700117.6
217K23.7Very low28.3Very low155 Ų155136.9 Ų136.967%0.67472%0.724SS**  cis157.3163.78.3166.8-177.3165.5-171.30102.7
218S26.9Very low28.3Very low96 Ų96137.4 Ų137.467%0.67173%0.728SS**  trans65.1154.4172.816.50000114
219E26.7Very low28.3Very low168 Ų168138.2 Ų138.279%0.78573%0.727SS**  cis-164.1163.8-27.1-123.9167.8-145.500107.1
220S27.5Very low28.2Very low83 Ų83135.3 Ų135.358%0.5872%0.72SS**  trans48.1102.8145.3-57.20000121.1
221F27.6Very low28.2Very low204 Ų204138.6 Ų138.690%0.89573%0.725SS**  43.699.3126-54.4-71.7000120.4
222S27.9Very low28.3Very low110 Ų110141.5 Ų141.577%0.76974%0.735SS**  trans-162.8116132.9310000108
223S28Very low28.3Very low101 Ų101142.1 Ų142.171%0.70674%0.743SS**  83109.556.276.20000113.8
224I30.9Very low28.2Very low166 Ų166140.5 Ų140.585%0.85174%0.739SS**  trans72.1101.2160.3-54.5166.7000116
225E29.1Very low28.1Very low195 Ų195143.9 Ų143.991%0.91175%0.745SS**  -151.2167.7118-128.1177.7170.200112.3
226K31.7Very low28.2Very low192 Ų192143 Ų14384%0.83575%0.749SS**  trans-136.1166.2179.9-93.1-172.3176.4-178.30107.3
227P37.5Very low28.3Very low106 Ų106142.6 Ų142.669%0.68875%0.752SS**  cis-137.1159.5-36.938-22.6000112.8
228S23.4Very low28.5Very low112 Ų112143.1 Ų143.178%0.78376%0.757SS**  trans-140.7118160.642.40000108.3
229I24.8Very low28.6Very low133 Ų133146 Ų14668%0.68276%0.764SS**  76.290.964.8-64.1170.4000111
230T25.4Very low28.7Very low105 Ų105145 Ų14564%0.64476%0.761SS**  trans62163.8164.842.20000115.2
231Y30.9Very low28.7Very low205 Ų205146.5 Ų146.580%0.80476%0.762SS**  cis-138.416322.3-53.8-98.9000111.2
232E29.2Very low28.8Very low183 Ų183142.6 Ų142.686%0.85575%0.751SS**  trans-62.2159.5164-60.5163.993.500110.9
233T29.4Very low29Very low123 Ų123145.1 Ų145.176%0.75575%0.754SS**  -176118.3128.1-79.50000112.1
234N28.4Very low29.2Very low124 Ų124145.7 Ų145.766%0.66375%0.748SS**  trans58.9126.3152.3-70.8-29.9000123.2
235K27.8Very low29.5Very low174 Ų174147.7 Ų147.776%0.75775%0.751SS**  62.9124.4128.7-60179.2-176.8-1750118.3
236V29.4Very low29.7Very low127 Ų127146.2 Ų146.277%0.7774%0.743SS**  cis61.782.848.5-171.20000112.2
237N27.9Very low29.5Very low133 Ų133143.8 Ų143.871%0.71174%0.74SS**  -173.4165.8100.6-119.39.8000115
238E28.1Very low29.6Very low165 Ų165144.2 Ų144.277%0.77174%0.74SS**  trans77.3147.6146.2-85.617211600123.7
239L28.3Very low30.1Very low158 Ų158146 Ų14683%0.82774%0.741SS**  trans70.291.5161.5-67.9171.1000120
240M29.4Very low30.4Very low147 Ų147144.3 Ų144.372%0.72474%0.741SS**  -38.1155.3120.9-72.2-79-84.400111.5
241D27.9Very low30.4Very low114 Ų114146.1 Ų146.161%0.6174%0.744SS**  cis-162.8-178.138-143.5-38.5000112.7
242N29Very low30.4Very low122 Ų122143.8 Ų143.865%0.65274%0.74SS**  trans80.6139.7174.9-45.2-81.7000114.3
243I33.3Very low30.3Very low162 Ų162141.4 Ų141.483%0.83173%0.732SS**  cis-124.9111.424.4-63.1168.8000113.1
244I32.2Very low30.1Very low114 Ų114144.3 Ų144.359%0.58573%0.734SS**  trans20.2122.2133-58.4162.1000118.4
245K35.3Very low29.9Very low208 Ų208143.7 Ų143.790%0.90474%0.735SS**  -146131.6118.6-70.7-155.7176.4-172.60110.7
246E34.1Very low30Very low163 Ų163144.5 Ų144.576%0.76274%0.739SS**  trans-69.1170.8167.2-65.1126.8132.200111
247D28.7Very low29.8Very low141 Ų141145.6 Ų145.675%0.75474%0.739SS**  cis-156136.630.2-146.921.7000105.6
248V38Very low29.8Very low115 Ų115143.1 Ų143.170%0.69773%0.733SS**  63.7123.352.2-179.80000110.6
249N34.2Very low29.9Very low150 Ų150143.2 Ų143.280%0.80273%0.733SS**  cis-154.9176.71.1-155.3-12000112.7
250S30.7Very low29.9Very low97 Ų97140.9 Ų140.968%0.67873%0.725SS**  trans118.497.3135.4-149.10000120.7
251M27.1Very low29.9Very low144 Ų144141.4 Ų141.471%0.70973%0.73SS**  42.1111.9128.8-62.4-17069.400123.7
252Q29.3Very low30Very low156 Ų156142.1 Ų142.173%0.72974%0.738SS**  69.4158.6108.5-131.9-176.630.200122.4
253I27Very low30.9Very low132 Ų132141.4 Ų141.468%0.67774%0.74SS**  trans92.1108.2155.1-66.9168.5000120.9
254F26.3Very low31.6Very low184 Ų184138.7 Ų138.781%0.80773%0.733SS**  trans78.8142137.8-88-130.7000126.6
255T23.3Very low31.3Very low112 Ų112140 Ų14069%0.68774%0.739SS**  trans60.9108.7145.247.50000125.3
256K29.7Very low31Very low191 Ų191137.9 Ų137.983%0.8374%0.738SS**  51.2151.1104.8-88.2-168.1175.8-175.50123.6
257L26.6Very low30.7Very low149 Ų149136.8 Ų136.878%0.7874%0.743SS**  trans79.1142.6163.2-104.765.9000116.5
258S27.8Very low30.8Very low81 Ų81134.5 Ų134.557%0.56674%0.743SS**  cis-122.2-135.90.9-62.50000111
259E28.8Very low30.1Very low167 Ų167135.5 Ų135.578%0.7875%0.75SS**  cis-166.6158.5-10.7-128.3135.764.600106
260T28.2Very low30Very low109 Ų109135 Ų13567%0.66975%0.752SS**  cis-173.8158.8-25.5-980000110
261I31Very low30.8Very low159 Ų159135.6 Ų135.682%0.81575%0.753SS**  trans74.1158.4172.4-76.8161.2000116.8
262V29.5Very low30.8Very low128 Ų128135.1 Ų135.178%0.77675%0.754SS**  trans-131-157.2-145.6-144.40000112.7
263P48.1Very low30.8Very low108 Ų108134.3 Ų134.370%0.70176%0.755SS**  trans-116.9-141.4-133.346.5-26.2000111.6
264P48.1Very low31Very low104 Ų104136.5 Ų136.568%0.67576%0.762SS**  cis-133.1-175.2-20.131.9-9.8000114.8
265I25.3Very low31.1Very low142 Ų142135.5 Ų135.573%0.72877%0.765SS**  trans149.9137.2132.6-78.4160.3000112.4
266N30Very low31.5Very low163 Ų163133.2 Ų133.287%0.87276%0.764SS**  trans-105.2134.6168.5-57-25.8000110.2
267T26.6Very low31.5Very low140 Ų140131.8 Ų131.886%0.85976%0.76SS**  trans-150.1152157.5-27.60000110.7
268A30.8Very low31.6Very low93 Ų93127.8 Ų127.877%0.76975%0.748SS**  trans-110.2162.9-174.800000113.4
269T24.6Very low31.8Very low137 Ų137132 Ų13284%0.8476%0.757SS**  trans-145.1142.4166.2-43.10000110.3
270V32.3Very low31.8Very low138 Ų138131.2 Ų131.284%0.83676%0.755SS**  trans-132.7127170.71700000108.4
271P46.4Very low32Very low110 Ų110132.6 Ų132.671%0.71476%0.758SS**  -147.7-178.6126.637.1-21000113.2
272D27.8Very low32Very low135 Ų135132 Ų13272%0.72276%0.755SS**  cis-176.9-177.8-43.9-151-29.5000107.2
273N29.2Very low32Very low139 Ų139129.9 Ų129.974%0.74375%0.751SS**  trans74.1150.1170.5-35.8-86.3000115.9
274E30.9Very low31.2Very low177 Ų177131.9 Ų131.983%0.82776%0.755SS**  cis-132.6159.3-8.1-70.2-168.4154.800107.6
275D27.6Very low30.6Very low164 Ų164132.6 Ų132.688%0.87776%0.758SS**  cis91.4138.930.3-152.211.2000116
276G32.7Very low30.8Very low64 Ų64129.7 Ų129.766%0.6676%0.756SS**  trans75.7156-178.600000117.9
277E28.7Very low30.9Very low160 Ų160130.8 Ų130.875%0.74875%0.752SS**  cis-153.1129.8-22.9-145.5-139.8127.200112K279E277-K279 IonicContact OE1-NZ 2.82Å; E277-K279 PolarHBondContact OE1-NZ 2.87Å
278A29.4Very low30.9Very low65 Ų65131.2 Ų131.254%0.53775%0.745SS.*  trans51.2146.7136.300000127.1
279K31.9Very low30.7Very low171 Ų171131.5 Ų131.574%0.74374%0.737SS**  trans78.6143.4145.6-70.5144.5-164151.60118.9E277E277-K279 IonicContact OE1-NZ 2.82Å; E277-K279 PolarHBondContact OE1-NZ 2.87Å
280M29.5Very low30.8Very low150 Ų150132.1 Ų132.174%0.73973%0.734SS**  cis-169.1128.7-9.3171.9170.372.400113.5
281N30.7Very low30.6Very low138 Ų138132.5 Ų132.574%0.73873%0.73SS**  trans63.3159.2155.1-63-7.7000119.1
282I31.6Very low29.5Very low147 Ų147132.1 Ų132.175%0.75473%0.73SS**  cis-148.7148.28.9-131.9150.4000110.3
283A30.3Very low29.6Very low83 Ų83131.5 Ų131.569%0.68673%0.731SS**  trans43.4153.3154.800000122
284D30.9Very low29.6Very low149 Ų149131 Ų13180%0.79773%0.733SS**  cis-157.4168.918.2-143.4-27.8000114.8
285T35Very low29.2Very low119 Ų119129.4 Ų129.473%0.7373%0.73SS**  trans71.8110.2162-530000120.5
286A30.4Very low29.1Very low82 Ų82126.4 Ų126.468%0.67872%0.722SS**  trans40.9118.4151.500000120.7
287K31.1Very low28.7Very low185 Ų185128.2 Ų128.280%0.80472%0.724SS**  cis62.8135.247.3-56.3-170.7173.1-1690113.6
288Q27.6Very low28.5Very low150 Ų150125.2 Ų125.270%0.70172%0.721SS**  cis-167.41701.6-128.9179.2-103.200108
289T25.4Very low28.4Very low98 Ų98129.9 Ų129.960%0.60174%0.736SS**  cis-148.4129.68-50.40000105.8
290L26.3Very low28.4Very low150 Ų150127.1 Ų127.179%0.78574%0.736SS**  66.2140.176.2-129.6169.3000115.2
291I28.9Very low28.1Very low146 Ų146128.6 Ų128.675%0.74974%0.741SS**  trans85.5130.9172.5-48.8177.9000115.5
292S23.7Very low28Very low103 Ų103128.3 Ų128.372%0.7274%0.744SS**  cis-169.7-176.7-35.860.10000109.8
293V28.9Very low27.9Very low122 Ų122128.4 Ų128.474%0.73974%0.739SS**  trans98.294.1168.8-170.80000116.6
294V29.7Very low28.1Very low128 Ų128133.7 Ų133.778%0.77675%0.749SS**  34.5108.2121.5-179.80000115.9
295D23.2Very low27.9Very low144 Ų144133.1 Ų133.177%0.7774%0.742SS**  68.8130.164.3-158.654.1000111.9
296S25.1Very low27.6Very low101 Ų101135.9 Ų135.971%0.70675%0.746SS**  cis-159.7-175.12.3-137.90000112.3
297S23.8Very low27.5Very low101 Ų101141.3 Ų141.371%0.70676%0.758SS**  trans86.299.9151.7-153.60000122.1
298S24.5Very low27.3Very low98 Ų98135.3 Ų135.369%0.68574%0.739SS**  84.2146119.971.10000124.2
299L26.7Very low27.9Very low163 Ų163134.2 Ų134.285%0.85375%0.745SS**  trans75.8151.7168.9-96.375000117.3
300P33.5Very low28.3Very low113 Ų113136.2 Ų136.273%0.73475%0.747SS**  -120.5148.3-11238.3-26.6000115.3
301E23.2Very low28.7Very low181 Ų181135 Ų13585%0.84674%0.741SS**  trans-79.5118.1174.5-169.4176.6160.100110.7K303E301-K303 PolarHBondContact O-N 3.11Å
302V28.6Very low29.2Very low132 Ų132132.3 Ų132.380%0.874%0.742SS**  trans-77.7105.7171.7176.80000108.3E304V302-E304 PolarHBondContact O-N 3.43Å; V302-E304 VanDerWaalsContact O-N 3.15Å
303K28.8Very low29.7Very low149 Ų149135.2 Ų135.265%0.64875%0.748SS**  trans-66.4106.7172.6-83.5176.2163.4-95.10111E301 E305E301-K303 PolarHBondContact O-N 3.11Å; K303-E305 VanDerWaalsContact C-N 3.33Å; K303-E305 IonicContact NZ-OE2 3.68Å; K303-E305 PolarHBondContact NZ-OE2 2.96Å; K303-E305 PolarHBondContact O-N 3.29Å
304E34.1Very low30.1Very low194 Ų194136.6 Ų136.691%0.90775%0.75SS**  trans-87.876.2155-69.5-163.5137.400109.8V302V302-E304 PolarHBondContact O-N 3.43Å; V302-E304 VanDerWaalsContact O-N 3.15Å
305E27.8Very low30.4Very low136 Ų136140.9 Ų140.964%0.63675%0.753SS**  trans-123.2136.3160.7-67173.9124.700106.3K303K303-E305 VanDerWaalsContact C-N 3.33Å; K303-E305 IonicContact NZ-OE2 3.68Å; K303-E305 PolarHBondContact NZ-OE2 2.96Å; K303-E305 PolarHBondContact O-N 3.29Å
306E28.3Very low31.2Very low177 Ų177136.6 Ų136.683%0.82774%0.743SS**  cis-126.3154.913.5-59.4170.38500112.6
307Q29.2Very low31.9Very low197 Ų197140.1 Ų140.192%0.92175%0.753SS**  trans-132.777.2152.6-161166.460.500109.6
308S27Very low32.7Very low58 Ų58144 Ų14441%0.40676%0.76SS.*  trans-63.2133.4-175.6-176.70000112.6E310S308-E310 WeakPolarHBondContact CB-OE1 3.19Å; S308-E310 PolarHBondContact O-N 3.27Å; S308-E310 VanDerWaalsContact OG-CD 3.29Å; S308-E310 PolarHBondContact OG-OE1 3.26Å
309P39.5Very low33.4Very low127 Ų127150.9 Ų150.983%0.82577%0.771SS**  trans-91.660.3-170.137.3-37.9000114
310E33.3Very low34Very low141 Ų141149.4 Ų149.466%0.65977%0.768SS**  trans-119.924.9-168.765-159.4133.800117.8S308S308-E310 WeakPolarHBondContact CB-OE1 3.19Å; S308-E310 PolarHBondContact O-N 3.27Å; S308-E310 VanDerWaalsContact OG-CD 3.29Å; S308-E310 PolarHBondContact OG-OE1 3.26Å
311D35.9Very low34.5Very low123 Ų123148.4 Ų148.466%0.65877%0.77SS**SBendtrans-96.414173.7-152.7-1.1000113.7
312A38.4Very low35.6Very low91 Ų91146.3 Ų146.375%0.75277%0.77SS**SBendtrans-105.5-11.1-17500000115.2
313L34.4Very low36.1Very low163 Ų163145.5 Ų145.585%0.85376%0.761SS**SBendtrans-120.14.7-175.1-94.1170.3000115.5
314L36.4Very low36.4Very low151 Ų151146.8 Ų146.879%0.79177%0.767SS**SBendtrans-115.629.5177.5-67.5177.5000114
315R37.8Very low37.2Very low218 Ų218148.5 Ų148.582%0.82377%0.766SS**SBendtrans-109.719.2170-66.2-168-176.9-124.80.3114.4
316G38.4Very low38.3Very low55 Ų55145.2 Ų145.257%0.56776%0.763SS**SBendtrans-134141.6164.200000109.8
317L40.8Very low39.2Very low174 Ų174145.7 Ų145.791%0.91177%0.765SS**SBendtrans61.169.1172.4-163.872.4000116.8
318Q40.3Very low40Very low183 Ų183143.5 Ų143.586%0.85576%0.759SS**  trans172.692.2132.5-97.1-173.23500112.4
319R38.8Very low40.6Very low243 Ų243148.4 Ų148.492%0.91778%0.775SS**SBendtrans-158.861.5155.1-83.5-158.2172.670.9-0.3109.7
320T40.5Very low40.6Very low131 Ų131150.4 Ų150.480%0.80478%0.779SS**  trans-147.230.3-172.1-33.30000112.3
321A43.8Very low41Very low92 Ų92148.4 Ų148.476%0.7678%0.781SS**SBendtrans-139.518-168.600000115.1
322T44.7Very low41.1Very low138 Ų138149.2 Ų149.285%0.84779%0.79SS**SBendtrans-134.7-28.7175.840.20000115.1F324T322-F324 VanDerWaalsContact C-N 3.28Å; T322-F324 PolarHBondContact O-N 2.96Å
323D40.8Very low41.1Very low114 Ų114152.1 Ų152.161%0.6179%0.793SS**G310 helixtrans-79.7-4.4175.2-104-42.9000114.3Y325 A326 R371D323-Y325 PolarHBondContact O-N 3.37Å; D323-A326 PolarHBondContact O-N 3.43Å; D323-R371 IonicContact OD1-NH2 2.66Å; D323-R371 PolarHBondContact OD1-NH2 2.92Å
324F35Very low41.3Very low176 Ų176151.9 Ų151.977%0.77279%0.792SS**G310 helixtrans-73.64.5-172.3-144.9-95.4000115T322T322-F324 VanDerWaalsContact C-N 3.28Å; T322-F324 PolarHBondContact O-N 2.96Å
325Y50.1Low41.4Very low230 Ų230148 Ų14890%0.90279%0.788SS**G310 helixtrans-109.8-1.3-177.6-141.7-94.3000114.3D323D323-Y325 PolarHBondContact O-N 3.37Å
326A50.5Low41.5Very low68 Ų68148.6 Ų148.656%0.56279%0.792SS**SBendtrans-107.8-16.2-173.400000115.5D323D323-A326 PolarHBondContact O-N 3.43Å
327E46.9Very low41.4Very low186 Ų186150 Ų15087%0.86980%0.799SS**SBendtrans-113.33.1-165.4-157.9163.6-151.300115.3
328L46Very low41.2Very low152 Ų152149.4 Ų149.480%0.79680%0.796SS**SBendtrans-108.852.7-171.6-150.877.7000115
329Q41.1Very low41.2Very low160 Ų160144.2 Ų144.275%0.74879%0.792SS**SBendtrans-153.326.6176.2-131.617080.300117.5
330N39.3Very low41.4Very low169 Ų169140.4 Ų140.490%0.90479%0.79SS**SBendtrans-134.922178.6-93-45.2000115.1
331S41.1Very low41.4Very low99 Ų99141.4 Ų141.469%0.69279%0.789SS**SBendtrans-143.8141.7171.857.50000111.3
332T38.5Very low41.7Very low140 Ų140143.7 Ų143.786%0.85979%0.793SS**  trans68.6126.7-159.5-21.60000110.7
333D36.9Very low41.3Very low152 Ų152144.7 Ų144.781%0.81379%0.788SS**  cis-141.8-171.119.2-16410.3000112.5
334L39Very low41.6Very low158 Ų158143.2 Ų143.283%0.82780%0.8SS**  trans85.154.6169-152.275.2000117.2
335G40Very low42.3Very low69 Ų69138.5 Ų138.571%0.71179%0.789SS**  trans-102.877.1160.500000113.4
336Y39.4Very low42.4Very low232 Ų232134.2 Ų134.291%0.9178%0.781SS**  trans-152.5154163.5-96.7-67.9000113.5
337A36.2Very low42.6Very low85 Ų85140 Ų14070%0.70280%0.797SS**  trans74.799172.800000119.4
338N37.1Very low42.9Very low161 Ų161140 Ų14086%0.86179%0.794SS**  trans52.1104.1137.8-63.6-35.4000121.6
339G40.3Very low43.5Very low74 Ų74137.5 Ų137.576%0.76378%0.778SS**  43125.2105.200000121.3
340N41.3Very low45.1Very low163 Ų163132.9 Ų132.987%0.87276%0.764SS**  trans53.192.4161.6-80.4-0.8000117.8
341L40.7Very low47.1Very low151 Ų151130.2 Ų130.279%0.79175%0.753SS**  trans-143.7106.7136.5-161.964.5000112.7H343L341-H343 HydrophobicContact CG-CB 4.45Å; L341-H343 PolarHBondContact O-N 3.19Å
342V50.2Low49Very low140 Ų140133.2 Ų133.285%0.84875%0.754SS**  trans-80.392.1165.4176.30000108.2
343H37.3Very low51.2Low159 Ų159132.6 Ų132.674%0.73674%0.743SS**  trans-150.3142.2162.6-90.7-66.9000111.3L341 S345L341-H343 HydrophobicContact CG-CB 4.45Å; L341-H343 PolarHBondContact O-N 3.19Å; H343-S345 PolarHBondContact O-N 2.99Å; H343-S345 VanDerWaalsContact O-N 3.16Å
344G45.6Very low53.5Low83 Ų83131.5 Ų131.586%0.85673%0.727SS**  trans-73.9103.2-170.600000113.8
345S50.8Low55.9Low78 Ų78128.4 Ų128.455%0.54571%0.711SS.*  trans-112.930.2-179.2-170.60000114.2H343 Q347 K348H343-S345 PolarHBondContact O-N 2.99Å; H343-S345 VanDerWaalsContact O-N 3.16Å; S345-Q347 PolarHBondContact O-N 3.45Å; S345-K348 PolarHBondContact O-N 2.75Å; S345-K348 VanDerWaalsContact O-N 3.14Å
346N52.6Low58.2Low139 Ų139129.1 Ų129.174%0.74370%0.699SS**THydrogen-bonded Turntrans-64.5-0.4-179.7-70.3-31000115
347Q53.8Low60.6Low191 Ų191123.7 Ų123.789%0.89369%0.685SS**THydrogen-bonded Turntrans-108.3-0.7178.3-67.4-176.7-18.400114.2S345S345-Q347 PolarHBondContact O-N 3.45Å
348K54.1Low63.3Low184 Ų184128 Ų12880%0.868%0.683SS**  trans-116.85179.3-90.7-169.9175.2-175.50116S345 S350S345-K348 PolarHBondContact O-N 2.75Å; S345-K348 VanDerWaalsContact O-N 3.14Å; K348-S350 PolarHBondContact O-N 2.91Å
349E58.4Low65.8Low101 Ų101124.6 Ų124.647%0.47266%0.664SS.*SBendtrans-60.1107.4144.9-74.4-172.6147.700107.5V351 R354E349-V351 PolarHBondContact O-N 3.41Å; E349-R354 IonicContact OE2-CZ 3.41Å; E349-R354 IonicContact OE2-NE 3.26Å; E349-R354 PolarHBondContact OE2-NE 3.43Å; E349-R354 IonicContact OE2-NH2 2.71Å; E349-R354 PolarHBondContact OE2-NH2 3.37Å
350S75.4Confident68.3Low63 Ų63125.8 Ų125.844%0.44165%0.648SS.*  trans-53.8140.1176.31800000110K348 F352 M353 R354K348-S350 PolarHBondContact O-N 2.91Å; S350-F352 PolarHBondContact O-N 2.93Å; S350-F352 VanDerWaalsContact O-N 3.08Å; S350-M353 WeakPolarHBondContact O-CA 3.3Å; S350-M353 WeakPolarHBondContact O-CB 3.39Å; S350-M353 PolarHBondContact O-N 3.45Å; S350-R354 PolarHBondContact O-N 2.89Å
351V79.8Confident70.7Confident112 Ų112120.7 Ų120.768%0.67963%0.629SS**Hα-helixtrans-52.5-36.2178.4-179.70000110.6E349 M353 R354 L355E349-V351 PolarHBondContact O-N 3.41Å; V351-M353 PolarHBondContact O-N 2.92Å; V351-R354 PolarHBondContact O-N 3.4Å; V351-L355 VanDerWaalsContact O-CB 3.26Å; V351-L355 WeakPolarHBondContact O-CB 3.36Å; V351-L355 PolarHBondContact O-N 2.89Å
352F80.9Confident73.3Confident163 Ų163118.3 Ų118.372%0.71562%0.617SS**Hα-helixtrans-61-37.1173.6-66.3-83.9000114.1S350 N356S350-F352 PolarHBondContact O-N 2.93Å; S350-F352 VanDerWaalsContact O-N 3.08Å; F352-N356 WeakPolarHBondContact O-CB 3.49Å; F352-N356 PolarHBondContact O-N 2.81Å
353M85.5Confident75.3Confident127 Ų127117.7 Ų117.763%0.62660%0.604SS**Hα-helixtrans-72.6-41179.1-173173.3-179.500111.4S350 V351 N356 N357S350-M353 WeakPolarHBondContact O-CA 3.3Å; S350-M353 WeakPolarHBondContact O-CB 3.39Å; S350-M353 PolarHBondContact O-N 3.45Å; V351-M353 PolarHBondContact O-N 2.92Å; M353-N356 PolarHBondContact O-N 2.99Å; M353-N357 WeakPolarHBondContact O-CB 3.29Å; M353-N357 PolarHBondContact O-N 3.31Å
354R86.1Confident78Confident128 Ų128114.6 Ų114.648%0.48360%0.596SS.*Hα-helixtrans-67.5-37.4174.8-166.9174.8-63.2141.90111.9E349 S350 V351 R358E349-R354 IonicContact OE2-CZ 3.41Å; E349-R354 IonicContact OE2-NE 3.26Å; E349-R354 PolarHBondContact OE2-NE 3.43Å; E349-R354 IonicContact OE2-NH2 2.71Å; E349-R354 PolarHBondContact OE2-NH2 3.37Å; S350-R354 PolarHBondContact O-N 2.89Å; V351-R354 PolarHBondContact O-N 3.4Å; R354-R358 WeakPolarHBondContact O-CB 3.44Å; R354-R358 PolarHBondContact O-N 3.4Å
355L87.4Confident80.2Confident93 Ų93115 Ų11549%0.48758%0.579SS.*Hα-helixtrans-65.4-47.1172.7-175.165.3000111.5V351 R358 I359V351-L355 VanDerWaalsContact O-CB 3.26Å; V351-L355 WeakPolarHBondContact O-CB 3.36Å; V351-L355 PolarHBondContact O-N 2.89Å; L355-R358 CarbonylContact O-C 3.6Å; L355-R358 PolarHBondContact O-N 2.95Å; L355-I359 HydrophobicContact CD1-CD1 4.37Å; L355-I359 HydrophobicContact CG-CD1 3.91Å; L355-I359 VanDerWaalsContact O-CG1 3.3Å; L355-I359 WeakPolarHBondContact O-CG1 3.45Å; L355-I359 PolarHBondContact O-N 2.66Å
356N88.8Confident82.2Confident85 Ų85118.1 Ų118.146%0.45559%0.587SS.*Hα-helixtrans-59.8-46.7176.8-176.7-14.7000111.5F352 M353 R358 I359 K360F352-N356 WeakPolarHBondContact O-CB 3.49Å; F352-N356 PolarHBondContact O-N 2.81Å; M353-N356 PolarHBondContact O-N 2.99Å; N356-R358 VanDerWaalsContact C-N 3.34Å; N356-R358 PolarHBondContact O-N 3.38Å; N356-I359 PolarHBondContact O-N 3.25Å; N356-K360 PolarHBondContact O-N 2.96Å
357N89.6Confident84Confident117 Ų117114.7 Ų114.763%0.62657%0.574SS**Hα-helixtrans-58.6-43.8174-174.7-80.8000111.8M353 K360 A361M353-N357 WeakPolarHBondContact O-CB 3.29Å; M353-N357 PolarHBondContact O-N 3.31Å; N357-K360 PolarHBondContact O-N 3.39Å; N357-A361 WeakPolarHBondContact O-CB 3.43Å; N357-A361 PolarHBondContact O-N 2.87Å
358R92.7Very high85.9Confident175 Ų175110.9 Ų110.966%0.6656%0.559SS**Hα-helixtrans-66-35.5175.5-172.1174.8-179.3177.10.2113.1R354 L355 N356 A361 L362R354-R358 WeakPolarHBondContact O-CB 3.44Å; R354-R358 PolarHBondContact O-N 3.4Å; L355-R358 CarbonylContact O-C 3.6Å; L355-R358 PolarHBondContact O-N 2.95Å; N356-R358 VanDerWaalsContact C-N 3.34Å; N356-R358 PolarHBondContact O-N 3.38Å; R358-A361 PolarHBondContact O-N 3.05Å; R358-L362 HydrophobicContact CG-CD1 4.23Å; R358-L362 WeakPolarHBondContact O-CB 3.29Å; R358-L362 VanDerWaalsContact O-CG 3.28Å; R358-L362 WeakPolarHBondContact O-CG 3.45Å; R358-L362 PolarHBondContact O-N 2.83Å
359I90.3Very high87.8Confident90 Ų90104.5 Ų104.546%0.46254%0.538SS..Hα-helixtrans-65.4-50.6174.4-72.2165.8000109.7L355 N356 A361 L362 E363L355-I359 HydrophobicContact CD1-CD1 4.37Å; L355-I359 HydrophobicContact CG-CD1 3.91Å; L355-I359 VanDerWaalsContact O-CG1 3.3Å; L355-I359 WeakPolarHBondContact O-CG1 3.45Å; L355-I359 PolarHBondContact O-N 2.66Å; N356-I359 PolarHBondContact O-N 3.25Å; I359-A361 VanDerWaalsContact C-N 3.29Å; I359-A361 PolarHBondContact O-N 3.03Å; I359-L362 CarbonylContact O-C 3.58Å; I359-L362 WeakPolarHBondContact O-CA 3.35Å; I359-L362 WeakPolarHBondContact O-CB 3.49Å; I359-L362 PolarHBondContact O-N 3.09Å; I359-E363 WeakPolarHBondContact O-CB 3.36Å; I359-E363 PolarHBondContact O-N 2.78Å
360K93.3Very high89.6Confident99 Ų99101.5 Ų101.543%0.4353%0.534SS..Hα-helixtrans-59.3-39.2175.4-70.2-168.5173.4-150.10112.4N356 N357 L362 E363 V364N356-K360 PolarHBondContact O-N 2.96Å; N357-K360 PolarHBondContact O-N 3.39Å; K360-L362 VanDerWaalsContact C-N 3.34Å; K360-E363 PolarHBondContact O-N 3.48Å; K360-V364 WeakPolarHBondContact O-CB 3.29Å; K360-V364 VanDerWaalsContact O-CG2 3.31Å; K360-V364 WeakPolarHBondContact O-CG2 3.47Å; K360-V364 PolarHBondContact O-N 3.49Å
361A92.2Very high90.5Very high56 Ų56105 Ų10546%0.46354%0.537SS..Hα-helixtrans-65.5-35.6174.500000112.6N357 R358 I359 N365N357-A361 WeakPolarHBondContact O-CB 3.43Å; N357-A361 PolarHBondContact O-N 2.87Å; R358-A361 PolarHBondContact O-N 3.05Å; I359-A361 VanDerWaalsContact C-N 3.29Å; I359-A361 PolarHBondContact O-N 3.03Å; A361-N365 WeakPolarHBondContact O-CB 3.39Å; A361-N365 PolarHBondContact O-N 3.26Å
362L94.6Very high91.3Very high101 Ų101106.8 Ų106.853%0.52953%0.533SS..Hα-helixtrans-73.1-37174.2-75.8166.2000112.5R358 I359 K360 N365 M366R358-L362 HydrophobicContact CG-CD1 4.23Å; R358-L362 WeakPolarHBondContact O-CB 3.29Å; R358-L362 VanDerWaalsContact O-CG 3.28Å; R358-L362 WeakPolarHBondContact O-CG 3.45Å; R358-L362 PolarHBondContact O-N 2.83Å; I359-L362 CarbonylContact O-C 3.58Å; I359-L362 WeakPolarHBondContact O-CA 3.35Å; I359-L362 WeakPolarHBondContact O-CB 3.49Å; I359-L362 PolarHBondContact O-N 3.09Å; K360-L362 VanDerWaalsContact C-N 3.34Å; L362-N365 PolarHBondContact O-N 2.99Å; L362-M366 VanDerWaalsContact O-CB 3.26Å; L362-M366 WeakPolarHBondContact O-CB 3.34Å; L362-M366 PolarHBondContact O-N 3.17Å
363E92.7Very high92Very high127 Ų127104.2 Ų104.259%0.59353%0.526SS*.Hα-helixtrans-63.2-45.9174.3-177.5176.9-160.800111.3I359 K360 S367I359-E363 WeakPolarHBondContact O-CB 3.36Å; I359-E363 PolarHBondContact O-N 2.78Å; K360-E363 PolarHBondContact O-N 3.48Å; E363-S367 WeakPolarHBondContact O-CB 3.42Å; E363-S367 PolarHBondContact O-N 2.93Å; E363-S367 PolarHBondContact O-OG 3.38Å
364V92.9Very high92.5Very high94 Ų94104.5 Ų104.557%0.5753%0.526SS*.Hα-helixtrans-64.7-40.2172171.50000111.6K360 S367 L368K360-V364 WeakPolarHBondContact O-CB 3.29Å; K360-V364 VanDerWaalsContact O-CG2 3.31Å; K360-V364 WeakPolarHBondContact O-CG2 3.47Å; K360-V364 PolarHBondContact O-N 3.49Å; V364-S367 WeakPolarHBondContact CA-OG 3.43Å; V364-S367 PolarHBondContact O-OG 3.48Å; V364-L368 WeakPolarHBondContact O-CB 3.49Å; V364-L368 PolarHBondContact O-N 2.85Å
365N92.6Very high93Very high92 Ų92102.6 Ų102.649%0.49252%0.522SS..Hα-helixtrans-70-39.8179.5-167.1-31.3000112.1A361 L362 L368 S369A361-N365 WeakPolarHBondContact O-CB 3.39Å; A361-N365 PolarHBondContact O-N 3.26Å; L362-N365 PolarHBondContact O-N 2.99Å; N365-L368 PolarHBondContact O-N 3.3Å; N365-S369 VanDerWaalsContact O-CB 3.31Å; N365-S369 WeakPolarHBondContact O-CB 3.42Å; N365-S369 PolarHBondContact O-N 3.14Å; N365-S369 PolarHBondContact O-OG 2.8Å; N365-S369 PolarHBondContact OD1-OG 2.75Å
366M91.9Very high93.4Very high144 Ų144102.1 Ų102.171%0.70952%0.52SS*.Hα-helixtrans-65.1-45.4175.8-171.564.670.300111.5L362 S369 G370L362-M366 VanDerWaalsContact O-CB 3.26Å; L362-M366 WeakPolarHBondContact O-CB 3.34Å; L362-M366 PolarHBondContact O-N 3.17Å; M366-S369 PolarHBondContact O-N 3.08Å; M366-G370 PolarHBondContact O-N 2.89Å
367S91.1Very high93.7Very high66 Ų66101 Ų10146%0.46252%0.519SS..Hα-helixtrans-69.1-3617752.70000113E363 V364 G370 R371E363-S367 WeakPolarHBondContact O-CB 3.42Å; E363-S367 PolarHBondContact O-N 2.93Å; E363-S367 PolarHBondContact O-OG 3.38Å; V364-S367 WeakPolarHBondContact CA-OG 3.43Å; V364-S367 PolarHBondContact O-OG 3.48Å; S367-G370 PolarHBondContact O-N 2.89Å; S367-R371 PolarHBondContact O-N 2.74Å
368L93.9Very high94Very high112 Ų112102 Ų10259%0.58652%0.52SS*.Hα-helixtrans-62.8-43.7170.6-178.468.5000111.7V364 N365 R371 Y372V364-L368 WeakPolarHBondContact O-CB 3.49Å; V364-L368 PolarHBondContact O-N 2.85Å; N365-L368 PolarHBondContact O-N 3.3Å; L368-R371 PolarHBondContact O-N 3.22Å; L368-Y372 WeakPolarHBondContact O-CB 3.28Å; L368-Y372 PolarHBondContact O-N 2.8Å
369S94.3Very high94.2Very high50 Ų50100.9 Ų100.935%0.3552%0.515SS..Hα-helixtrans-63.8-40.2176.9-61.40000111.7N365 M366 Y372 L373N365-S369 VanDerWaalsContact O-CB 3.31Å; N365-S369 WeakPolarHBondContact O-CB 3.42Å; N365-S369 PolarHBondContact O-N 3.14Å; N365-S369 PolarHBondContact O-OG 2.8Å; N365-S369 PolarHBondContact OD1-OG 2.75Å; M366-S369 PolarHBondContact O-N 3.08Å; S369-Y372 PolarHBondContact O-N 2.83Å; S369-L373 WeakPolarHBondContact O-CG 3.48Å; S369-L373 PolarHBondContact O-N 3.01Å
370G95.3Very high94.5Very high38 Ų38103.6 Ų103.639%0.39252%0.521SS..Hα-helixtrans-60-52.4172.400000112.4M366 S367 Y372 L373 E374M366-G370 PolarHBondContact O-N 2.89Å; S367-G370 PolarHBondContact O-N 2.89Å; G370-Y372 VanDerWaalsContact C-N 3.3Å; G370-Y372 PolarHBondContact O-N 3.07Å; G370-L373 PolarHBondContact O-N 2.78Å; G370-E374 WeakPolarHBondContact O-CB 3.47Å; G370-E374 PolarHBondContact O-N 3.35Å
371R93.9Very high94.7Very high137 Ų137106.8 Ų106.852%0.51753%0.53SS..Hα-helixtrans-58.9-38.4176.7-76.4179.8167-155.1-11.5112.6D323 S367 L368 E374 E375D323-R371 IonicContact OD1-NH2 2.66Å; D323-R371 PolarHBondContact OD1-NH2 2.92Å; S367-R371 PolarHBondContact O-N 2.74Å; L368-R371 PolarHBondContact O-N 3.22Å; R371-E374 PolarHBondContact O-N 3.04Å; R371-E375 WeakPolarHBondContact O-CB 3.3Å; R371-E375 PolarHBondContact O-N 3.26Å
372Y96.5Very high94.9Very high148 Ų148109.6 Ų109.658%0.5853%0.532SS*.Hα-helixtrans-65.6-43.4176.6175.9-101.2000112.5L368 S369 G370 E375 L376L368-Y372 WeakPolarHBondContact O-CB 3.28Å; L368-Y372 PolarHBondContact O-N 2.8Å; S369-Y372 PolarHBondContact O-N 2.83Å; G370-Y372 VanDerWaalsContact C-N 3.3Å; G370-Y372 PolarHBondContact O-N 3.07Å; Y372-E375 PolarHBondContact O-N 2.82Å; Y372-L376 HydrophobicContact CE1-CD2 4.32Å; Y372-L376 VanDerWaalsContact O-CB 3.26Å; Y372-L376 WeakPolarHBondContact O-CB 3.49Å; Y372-L376 PolarHBondContact O-N 3.43Å
373L96.3Very high95Very high109 Ų109111.3 Ų111.357%0.57154%0.537SS*.Hα-helixtrans-67.3-37.8176.1-70.7172.2000112S369 G370 L376 S377S369-L373 WeakPolarHBondContact O-CG 3.48Å; S369-L373 PolarHBondContact O-N 3.01Å; G370-L373 PolarHBondContact O-N 2.78Å; L373-L376 PolarHBondContact O-N 2.96Å; L373-S377 WeakPolarHBondContact O-CB 3.43Å; L373-S377 PolarHBondContact O-N 2.9Å
374E95.7Very high95.1Very high134 Ų134108.8 Ų108.863%0.62653%0.526SS*.Hα-helixtrans-60.4-52.3173.2-174.5172.9-15800111G370 R371 L376 S377 Q378G370-E374 WeakPolarHBondContact O-CB 3.47Å; G370-E374 PolarHBondContact O-N 3.35Å; R371-E374 PolarHBondContact O-N 3.04Å; E374-L376 PolarHBondContact O-N 3.3Å; E374-S377 PolarHBondContact O-N 3.38Å; E374-S377 PolarHBondContact O-OG 2.99Å; E374-Q378 PolarHBondContact O-N 2.83Å
375E96.5Very high95.2Very high87 Ų87110 Ų11041%0.40753%0.526SS..Hα-helixtrans-62.1-40.5178-161.7-167.1161.500112.1R371 Y372 S377 Q378 R379R371-E375 WeakPolarHBondContact O-CB 3.3Å; R371-E375 PolarHBondContact O-N 3.26Å; Y372-E375 PolarHBondContact O-N 2.82Å; E375-S377 PolarHBondContact O-N 2.89Å; E375-Q378 PolarHBondContact O-N 3.26Å; E375-R379 WeakPolarHBondContact O-CB 3.49Å; E375-R379 VanDerWaalsContact O-CG 3.26Å; E375-R379 WeakPolarHBondContact O-CG 3.31Å; E375-R379 PolarHBondContact O-N 3.38Å; E375-R379 IonicContact OE1-CZ 3.56Å; E375-R379 IonicContact OE1-NE 3.37Å; E375-R379 PolarHBondContact OE1-NE 3.06Å; E375-R379 IonicContact OE1-NH2 3.15Å; E375-R379 PolarHBondContact OE1-NH2 3.49Å
376L96.8Very high95.4Very high84 Ų84110.8 Ų110.844%0.4453%0.527SS..Hα-helixtrans-61.5-43.7175.6-17763.1000111.5Y372 L373 E374 Q378 R379 Y380Y372-L376 HydrophobicContact CE1-CD2 4.32Å; Y372-L376 VanDerWaalsContact O-CB 3.26Å; Y372-L376 WeakPolarHBondContact O-CB 3.49Å; Y372-L376 PolarHBondContact O-N 3.43Å; L373-L376 PolarHBondContact O-N 2.96Å; E374-L376 PolarHBondContact O-N 3.3Å; L376-Q378 VanDerWaalsContact C-N 3.34Å; L376-Q378 PolarHBondContact O-N 3.49Å; L376-R379 PolarHBondContact O-N 3.35Å; L376-Y380 WeakPolarHBondContact O-CB 3.4Å; L376-Y380 PolarHBondContact O-N 3.46Å
377S94.8Very high95.5Very high61 Ų61109.6 Ų109.643%0.42752%0.52SS..Hα-helixtrans-65.2-36.6176.680.20000112.6L373 E374 E375 R381L373-S377 WeakPolarHBondContact O-CB 3.43Å; L373-S377 PolarHBondContact O-N 2.9Å; E374-S377 PolarHBondContact O-N 3.38Å; E374-S377 PolarHBondContact O-OG 2.99Å; E375-S377 PolarHBondContact O-N 2.89Å; S377-R381 WeakPolarHBondContact O-CB 3.29Å; S377-R381 PolarHBondContact O-N 2.92Å
378Q95.8Very high95.7Very high138 Ų138110.7 Ų110.765%0.64552%0.518SS*.Hα-helixtrans-69.7-43176.6-169-177.929.700111.4E374 E375 L376 R381 K382E374-Q378 PolarHBondContact O-N 2.83Å; E375-Q378 PolarHBondContact O-N 3.26Å; L376-Q378 VanDerWaalsContact C-N 3.34Å; L376-Q378 PolarHBondContact O-N 3.49Å; Q378-R381 PolarHBondContact O-N 3.28Å; Q378-K382 VanDerWaalsContact O-CB 3.29Å; Q378-K382 WeakPolarHBondContact O-CB 3.5Å; Q378-K382 PolarHBondContact O-N 2.86Å
379R96.3Very high95.9Very high151 Ų151113 Ų11357%0.5752%0.524SS*.Hα-helixtrans-60.6-45.4174.1-74.5169.7175.8-133.68.4111.4E375 L376 K382 Q383E375-R379 WeakPolarHBondContact O-CB 3.49Å; E375-R379 VanDerWaalsContact O-CG 3.26Å; E375-R379 WeakPolarHBondContact O-CG 3.31Å; E375-R379 PolarHBondContact O-N 3.38Å; E375-R379 IonicContact OE1-CZ 3.56Å; E375-R379 IonicContact OE1-NE 3.37Å; E375-R379 PolarHBondContact OE1-NE 3.06Å; E375-R379 IonicContact OE1-NH2 3.15Å; E375-R379 PolarHBondContact OE1-NH2 3.49Å; L376-R379 PolarHBondContact O-N 3.35Å; R379-K382 PolarHBondContact O-N 3.1Å; R379-Q383 WeakPolarHBondContact O-CG 3.29Å; R379-Q383 PolarHBondContact O-N 2.81Å
380Y97.6Very high96Very high147 Ų147113.3 Ų113.358%0.57653%0.529SS*.Hα-helixtrans-61-49.9175.8174.1-102.7000112.1L376 K382 Q383 M384L376-Y380 WeakPolarHBondContact O-CB 3.4Å; L376-Y380 PolarHBondContact O-N 3.46Å; Y380-K382 VanDerWaalsContact C-N 3.32Å; Y380-K382 PolarHBondContact O-N 2.85Å; Y380-Q383 PolarHBondContact O-N 3.02Å; Y380-M384 HydrophobicContact CE2-CE 4.22Å; Y380-M384 PolarHBondContact O-N 3.3Å; Y380-M384 VanDerWaalsContact OH-CE 3.3Å; Y380-M384 WeakPolarHBondContact OH-CE 3.32Å
381R97.2Very high96Very high166 Ų166117.1 Ų117.163%0.62654%0.535SS*.Hα-helixtrans-59.2-44.8178.3-172.6179.5-60.1171.64.5111.4S377 Q378 M384 E385S377-R381 WeakPolarHBondContact O-CB 3.29Å; S377-R381 PolarHBondContact O-N 2.92Å; Q378-R381 PolarHBondContact O-N 3.28Å; R381-M384 PolarHBondContact O-N 3.5Å; R381-E385 WeakPolarHBondContact CG-OE1 3.26Å; R381-E385 WeakPolarHBondContact O-CG 3.27Å; R381-E385 PolarHBondContact O-N 3.26Å
382K96.6Very high96.1Very high116 Ų116114.4 Ų114.450%0.50453%0.531SS..Hα-helixtrans-61-44.9176.1-179.3178.2171.4-177.40112.2Q378 R379 Y380 M384 E385 E386Q378-K382 VanDerWaalsContact O-CB 3.29Å; Q378-K382 WeakPolarHBondContact O-CB 3.5Å; Q378-K382 PolarHBondContact O-N 2.86Å; R379-K382 PolarHBondContact O-N 3.1Å; Y380-K382 VanDerWaalsContact C-N 3.32Å; Y380-K382 PolarHBondContact O-N 2.85Å; K382-M384 VanDerWaalsContact C-N 3.33Å; K382-M384 PolarHBondContact O-N 2.89Å; K382-E385 PolarHBondContact O-N 3.45Å; K382-E386 VanDerWaalsContact CE-CD 3.41Å; K382-E386 WeakPolarHBondContact CE-OE1 3.26Å; K382-E386 HydrophobicContact CG-CG 4.4Å; K382-E386 IonicContact NZ-OE1 2.57Å; K382-E386 WeakPolarHBondContact O-CB 3.28Å; K382-E386 WeakPolarHBondContact O-CG 3.04Å; K382-E386 PolarHBondContact O-N 3.09Å
383Q95.8Very high96.1Very high136 Ų136114 Ų11464%0.63653%0.532SS*.Hα-helixtrans-61.9-40.6175.7-80-174.5-40.800112R379 Y380 E386 M387R379-Q383 WeakPolarHBondContact O-CG 3.29Å; R379-Q383 PolarHBondContact O-N 2.81Å; Y380-Q383 PolarHBondContact O-N 3.02Å; Q383-E386 PolarHBondContact O-N 3.33Å; Q383-M387 WeakPolarHBondContact O-CB 3.36Å; Q383-M387 PolarHBondContact O-N 3.23Å
384M94.9Very high96.1Very high74 Ų74112.9 Ų112.937%0.36553%0.53SS..Hα-helixtrans-63.9-44176.1-172.262.371.300111.7Y380 R381 K382 M387 Q388Y380-M384 HydrophobicContact CE2-CE 4.22Å; Y380-M384 PolarHBondContact O-N 3.3Å; Y380-M384 VanDerWaalsContact OH-CE 3.3Å; Y380-M384 WeakPolarHBondContact OH-CE 3.32Å; R381-M384 PolarHBondContact O-N 3.5Å; K382-M384 VanDerWaalsContact C-N 3.33Å; K382-M384 PolarHBondContact O-N 2.89Å; M384-M387 HydrophobicContact CE-CE 4.27Å; M384-M387 PolarHBondContact O-N 3.28Å; M384-M387 HydrophobicContact SD-CE 3.63Å; M384-Q388 VanDerWaalsContact O-CB 3.31Å; M384-Q388 WeakPolarHBondContact O-CB 3.39Å; M384-Q388 PolarHBondContact O-N 2.95Å
385E96.6Very high96.2Very high121 Ų121109.4 Ų109.457%0.56552%0.515SS*.Hα-helixtrans-63.8-42.8175.6-72.4168.9-167.300112.3R381 K382 K389R381-E385 WeakPolarHBondContact CG-OE1 3.26Å; R381-E385 WeakPolarHBondContact O-CG 3.27Å; R381-E385 PolarHBondContact O-N 3.26Å; K382-E385 PolarHBondContact O-N 3.45Å; E385-K389 WeakPolarHBondContact O-CB 3.18Å; E385-K389 PolarHBondContact O-N 2.86Å
386E96.3Very high96.2Very high108 Ų108109.8 Ų109.851%0.50552%0.523SS..Hα-helixtrans-67.2-40.5176.7-73.5177161.900111.8K382 Q383 K389 A390K382-E386 VanDerWaalsContact CE-CD 3.41Å; K382-E386 WeakPolarHBondContact CE-OE1 3.26Å; K382-E386 HydrophobicContact CG-CG 4.4Å; K382-E386 IonicContact NZ-OE1 2.57Å; K382-E386 WeakPolarHBondContact O-CB 3.28Å; K382-E386 WeakPolarHBondContact O-CG 3.04Å; K382-E386 PolarHBondContact O-N 3.09Å; Q383-E386 PolarHBondContact O-N 3.33Å; E386-K389 PolarHBondContact O-N 2.94Å; E386-A390 WeakPolarHBondContact O-CB 3.28Å; E386-A390 PolarHBondContact O-N 3.33Å
387M93.5Very high96.2Very high118 Ų118112.2 Ų112.258%0.58153%0.53SS*.Hα-helixtrans-66.6-46.8175.5-174.1177.372.700111.8Q383 M384 K389 A390 F391Q383-M387 WeakPolarHBondContact O-CB 3.36Å; Q383-M387 PolarHBondContact O-N 3.23Å; M384-M387 HydrophobicContact CE-CE 4.27Å; M384-M387 PolarHBondContact O-N 3.28Å; M384-M387 HydrophobicContact SD-CE 3.63Å; M387-K389 VanDerWaalsContact C-N 3.29Å; M387-K389 PolarHBondContact O-N 2.82Å; M387-A390 WeakPolarHBondContact O-CB 3.5Å; M387-A390 PolarHBondContact O-N 3.34Å; M387-F391 WeakPolarHBondContact O-CB 3.23Å; M387-F391 PolarHBondContact O-N 3.49Å
388Q96.1Very high96.3Very high89 Ų89115.2 Ų115.242%0.41654%0.541SS..Hα-helixtrans-62.1-38.5176.3-17167.651.800111.3M384 F391 N392M384-Q388 VanDerWaalsContact O-CB 3.31Å; M384-Q388 WeakPolarHBondContact O-CB 3.39Å; M384-Q388 PolarHBondContact O-N 2.95Å; Q388-F391 PolarHBondContact O-N 2.87Å; Q388-N392 PolarHBondContact NE2-OD1 3.07Å; Q388-N392 WeakPolarHBondContact O-CB 3.35Å; Q388-N392 PolarHBondContact O-N 3.41Å; Q388-N392 PolarHBondContact O-OD1 3.48Å
389K96.9Very high96.3Very high162 Ų162114.6 Ų114.670%0.70454%0.538SS*.Hα-helixtrans-66.3-38.4175.3-172.8172.4-174.7171.60112.2E385 E386 M387 K393E385-K389 WeakPolarHBondContact O-CB 3.18Å; E385-K389 PolarHBondContact O-N 2.86Å; E386-K389 PolarHBondContact O-N 2.94Å; M387-K389 VanDerWaalsContact C-N 3.29Å; M387-K389 PolarHBondContact O-N 2.82Å; K389-K393 VanDerWaalsContact O-CB 3.25Å; K389-K393 WeakPolarHBondContact O-CB 3.45Å; K389-K393 PolarHBondContact O-N 3.03Å; K389-K393 VanDerWaalsContact O-N 3.14Å
390A95.9Very high96.3Very high56 Ų56111.9 Ų111.946%0.46354%0.535SS..Hα-helixtrans-65.8-45.4172.500000111.5E386 M387 K393 T394E386-A390 WeakPolarHBondContact O-CB 3.28Å; E386-A390 PolarHBondContact O-N 3.33Å; M387-A390 WeakPolarHBondContact O-CB 3.5Å; M387-A390 PolarHBondContact O-N 3.34Å; A390-K393 WeakPolarHBondContact O-CB 3.1Å; A390-K393 PolarHBondContact O-N 2.88Å; A390-T394 PolarHBondContact O-N 3.24Å; A390-T394 PolarHBondContact O-OG1 3.25Å
391F95.4Very high96.2Very high118 Ų118109.2 Ų109.252%0.51853%0.534SS..Hα-helixtrans-62.3-49.5178.8-174.8-111.9000112.3M387 Q388 K393 T394 I395M387-F391 WeakPolarHBondContact O-CB 3.23Å; M387-F391 PolarHBondContact O-N 3.49Å; Q388-F391 PolarHBondContact O-N 2.87Å; F391-K393 VanDerWaalsContact C-N 3.29Å; F391-K393 PolarHBondContact O-N 2.9Å; F391-T394 CarbonylContact O-C 3.57Å; F391-T394 WeakPolarHBondContact O-CA 3.41Å; F391-T394 WeakPolarHBondContact O-CB 3.42Å; F391-T394 PolarHBondContact O-N 3.31Å; F391-I395 HydrophobicContact CD1-CD1 3.82Å; F391-I395 HydrophobicContact CE1-CD1 3.4Å; F391-I395 VanDerWaalsContact CE1-CD1 3.4Å; F391-I395 HydrophobicContact CE1-CG1 4.37Å; F391-I395 HydrophobicContact CE2-CD1 4.47Å; F391-I395 HydrophobicContact CZ-CD1 3.77Å; F391-I395 HydrophobicContact CZ-CG1 4.41Å; F391-I395 PolarHBondContact O-N 3.44Å
392N96.8Very high96.1Very high80 Ų80104.9 Ų104.943%0.42853%0.529SS..Hα-helixtrans-59.1-40175.2-69.82.8000111.6Q388 T394 I395 V396Q388-N392 PolarHBondContact NE2-OD1 3.07Å; Q388-N392 WeakPolarHBondContact O-CB 3.35Å; Q388-N392 PolarHBondContact O-N 3.41Å; Q388-N392 PolarHBondContact O-OD1 3.48Å; N392-T394 VanDerWaalsContact C-N 3.33Å; N392-T394 PolarHBondContact O-N 2.89Å; N392-I395 PolarHBondContact O-N 3.38Å; N392-V396 WeakPolarHBondContact O-CG2 3.48Å; N392-V396 PolarHBondContact O-N 3.37Å
393K97.1Very high96.1Very high139 Ų139108.3 Ų108.360%0.60454%0.539SS*.Hα-helixtrans-65.1-35.2175.1-176.6177.4-178.9179.10112.2K389 A390 F391 K397K389-K393 VanDerWaalsContact O-CB 3.25Å; K389-K393 WeakPolarHBondContact O-CB 3.45Å; K389-K393 PolarHBondContact O-N 3.03Å; K389-K393 VanDerWaalsContact O-N 3.14Å; A390-K393 WeakPolarHBondContact O-CB 3.1Å; A390-K393 PolarHBondContact O-N 2.88Å; F391-K393 VanDerWaalsContact C-N 3.29Å; F391-K393 PolarHBondContact O-N 2.9Å; K393-K397 WeakPolarHBondContact O-CB 3.27Å; K393-K397 VanDerWaalsContact O-CG 3.31Å; K393-K397 WeakPolarHBondContact O-CG 3.44Å; K393-K397 PolarHBondContact O-N 2.93Å; K393-K397 VanDerWaalsContact O-N 3.1Å
394T96.3Very high96Very high85 Ų85105.8 Ų105.852%0.52153%0.529SS..Hα-helixtrans-71.2-41.7174.1-63.80000111.7A390 F391 N392 K397 L398A390-T394 PolarHBondContact O-N 3.24Å; A390-T394 PolarHBondContact O-OG1 3.25Å; F391-T394 CarbonylContact O-C 3.57Å; F391-T394 WeakPolarHBondContact O-CA 3.41Å; F391-T394 WeakPolarHBondContact O-CB 3.42Å; F391-T394 PolarHBondContact O-N 3.31Å; N392-T394 VanDerWaalsContact C-N 3.33Å; N392-T394 PolarHBondContact O-N 2.89Å; T394-K397 PolarHBondContact O-N 3.22Å; T394-L398 WeakPolarHBondContact O-CB 3.48Å; T394-L398 PolarHBondContact O-N 3.31Å
395I97Very high96Very high62 Ų62105 Ų10532%0.31853%0.534SS..Hα-helixtrans-58.7-52.5173.7-72.8174000110.8F391 N392 K397 L398 Q399F391-I395 HydrophobicContact CD1-CD1 3.82Å; F391-I395 HydrophobicContact CE1-CD1 3.4Å; F391-I395 VanDerWaalsContact CE1-CD1 3.4Å; F391-I395 HydrophobicContact CE1-CG1 4.37Å; F391-I395 HydrophobicContact CE2-CD1 4.47Å; F391-I395 HydrophobicContact CZ-CD1 3.77Å; F391-I395 HydrophobicContact CZ-CG1 4.41Å; F391-I395 PolarHBondContact O-N 3.44Å; N392-I395 PolarHBondContact O-N 3.38Å; I395-K397 VanDerWaalsContact C-N 3.28Å; I395-K397 PolarHBondContact O-N 3.16Å; I395-L398 PolarHBondContact O-N 3.45Å; I395-L398 VanDerWaalsContact O-N 3.09Å; I395-Q399 HydrophobicContact CG2-CG 4.25Å; I395-Q399 WeakPolarHBondContact O-CB 3.3Å; I395-Q399 WeakPolarHBondContact O-CG 3.44Å; I395-Q399 PolarHBondContact O-N 3.02Å
396V96.8Very high95.9Very high95 Ų95105.5 Ų105.558%0.57654%0.536SS*.Hα-helixtrans-61.6-37.9-179.2171.80000111.3N392 N400N392-V396 WeakPolarHBondContact O-CG2 3.48Å; N392-V396 PolarHBondContact O-N 3.37Å; V396-N400 WeakPolarHBondContact O-CB 3.3Å; V396-N400 PolarHBondContact O-N 3.48Å
397K97.3Very high95.9Very high134 Ų134105 Ų10558%0.58353%0.534SS*.Hα-helixtrans-62.4-48.6171.1-83.4-178.3165-158.70112.4K393 T394 I395 N400 T401K393-K397 WeakPolarHBondContact O-CB 3.27Å; K393-K397 VanDerWaalsContact O-CG 3.31Å; K393-K397 WeakPolarHBondContact O-CG 3.44Å; K393-K397 PolarHBondContact O-N 2.93Å; K393-K397 VanDerWaalsContact O-N 3.1Å; T394-K397 PolarHBondContact O-N 3.22Å; I395-K397 VanDerWaalsContact C-N 3.28Å; I395-K397 PolarHBondContact O-N 3.16Å; K397-N400 PolarHBondContact O-N 3.4Å; K397-T401 PolarHBondContact O-N 2.95Å; K397-T401 PolarHBondContact O-OG1 3.38Å; K397-T401 VanDerWaalsContact O-OG1 3.11Å
398L96.1Very high96Very high125 Ų125103.5 Ų103.565%0.65453%0.526SS*.Hα-helixtrans-64.1-42.7-177.2-169.170.2000111T394 I395 T401 S402T394-L398 WeakPolarHBondContact O-CB 3.48Å; T394-L398 PolarHBondContact O-N 3.31Å; I395-L398 PolarHBondContact O-N 3.45Å; I395-L398 VanDerWaalsContact O-N 3.09Å; L398-T401 PolarHBondContact O-N 3.24Å; L398-S402 VanDerWaalsContact O-CB 3.25Å; L398-S402 WeakPolarHBondContact O-CB 3.34Å; L398-S402 PolarHBondContact O-N 2.86Å
399Q95.7Very high96Very high124 Ų124104.1 Ų104.158%0.57953%0.532SS*.Hα-helixtrans-63-41173.1-71.8175.3-28.200112.2I395 S402 R403I395-Q399 HydrophobicContact CG2-CG 4.25Å; I395-Q399 WeakPolarHBondContact O-CB 3.3Å; I395-Q399 WeakPolarHBondContact O-CG 3.44Å; I395-Q399 PolarHBondContact O-N 3.02Å; Q399-S402 PolarHBondContact O-N 3.44Å; Q399-R403 WeakPolarHBondContact O-CB 3.34Å; Q399-R403 PolarHBondContact O-N 2.86Å
400N96Very high95.9Very high95 Ų95101.2 Ų101.251%0.50852%0.521SS..Hα-helixtrans-65.3-46.7176.1-175.2-99.4000111.7V396 K397 S402 R403 I404V396-N400 WeakPolarHBondContact O-CB 3.3Å; V396-N400 PolarHBondContact O-N 3.48Å; K397-N400 PolarHBondContact O-N 3.4Å; N400-S402 PolarHBondContact O-N 3.08Å; N400-R403 PolarHBondContact O-N 3.32Å; N400-I404 VanDerWaalsContact O-CG1 3.31Å; N400-I404 WeakPolarHBondContact O-CG1 3.46Å; N400-I404 PolarHBondContact O-N 2.83Å; N400-I404 WeakPolarHBondContact OD1-CD1 3.41Å
401T95.8Very high95.9Very high91 Ų91104 Ų10456%0.55852%0.519SS*.Hα-helixtrans-59.9-44173.5-59.60000111.6K397 L398 I404 A405K397-T401 PolarHBondContact O-N 2.95Å; K397-T401 PolarHBondContact O-OG1 3.38Å; K397-T401 VanDerWaalsContact O-OG1 3.11Å; L398-T401 PolarHBondContact O-N 3.24Å; T401-I404 PolarHBondContact O-N 3.47Å; T401-A405 WeakPolarHBondContact O-CB 3.27Å; T401-A405 PolarHBondContact O-N 2.89Å
402S95Very high95.9Very high74 Ų74103.8 Ų103.852%0.51752%0.52SS..Hα-helixtrans-60.6-47.1177.6-167.40000111.5L398 Q399 N400 I404 A405 E406L398-S402 VanDerWaalsContact O-CB 3.25Å; L398-S402 WeakPolarHBondContact O-CB 3.34Å; L398-S402 PolarHBondContact O-N 2.86Å; Q399-S402 PolarHBondContact O-N 3.44Å; N400-S402 PolarHBondContact O-N 3.08Å; S402-I404 PolarHBondContact O-N 2.68Å; S402-A405 PolarHBondContact O-N 3.5Å; S402-E406 WeakPolarHBondContact O-CB 3.49Å; S402-E406 PolarHBondContact O-N 3.29Å
403R96.7Very high95.8Very high188 Ų188102.9 Ų102.971%0.70952%0.518SS*.Hα-helixtrans-65.2-36.1177.6-176.2177.3175.6-177.7-0.7112.5Q399 N400 E407Q399-R403 WeakPolarHBondContact O-CB 3.34Å; Q399-R403 PolarHBondContact O-N 2.86Å; N400-R403 PolarHBondContact O-N 3.32Å; R403-E407 WeakPolarHBondContact O-CB 3.45Å; R403-E407 PolarHBondContact O-N 3.4Å
404I94.8Very high95.8Very high83 Ų83101.1 Ų101.143%0.42651%0.511SS..Hα-helixtrans-69.4-40174.8-69.7168.2000110.4N400 T401 S402 E407 Q408N400-I404 VanDerWaalsContact O-CG1 3.31Å; N400-I404 WeakPolarHBondContact O-CG1 3.46Å; N400-I404 PolarHBondContact O-N 2.83Å; N400-I404 WeakPolarHBondContact OD1-CD1 3.41Å; T401-I404 PolarHBondContact O-N 3.47Å; S402-I404 PolarHBondContact O-N 2.68Å; I404-E407 PolarHBondContact O-N 2.95Å; I404-Q408 WeakPolarHBondContact O-CG 3.38Å; I404-Q408 PolarHBondContact O-N 3.13Å
405A94.6Very high95.9Very high58 Ų5899.6 Ų99.648%0.47951%0.507SS..Hα-helixtrans-63.8-45.2175.600000111.9T401 S402 E407 Q408 D409T401-A405 WeakPolarHBondContact O-CB 3.27Å; T401-A405 PolarHBondContact O-N 2.89Å; S402-A405 PolarHBondContact O-N 3.5Å; A405-E407 VanDerWaalsContact C-N 3.34Å; A405-E407 PolarHBondContact O-N 3.01Å; A405-Q408 PolarHBondContact O-N 3.46Å; A405-Q408 VanDerWaalsContact O-N 3.13Å; A405-D409 PolarHBondContact O-N 3.3Å
406E94.4Very high95.8Very high132 Ų132100.7 Ų100.762%0.61751%0.513SS*.Hα-helixtrans-57.1-43.8172.3-178-180-153.900111.8S402 Q408 D409 Q410S402-E406 WeakPolarHBondContact O-CB 3.49Å; S402-E406 PolarHBondContact O-N 3.29Å; E406-Q408 VanDerWaalsContact C-N 3.32Å; E406-Q408 PolarHBondContact O-N 2.97Å; E406-D409 PolarHBondContact O-N 2.88Å; E406-Q410 WeakPolarHBondContact O-CB 3.44Å; E406-Q410 PolarHBondContact O-N 3.18Å
407E95.9Very high95.8Very high96 Ų96102.5 Ų102.545%0.44952%0.515SS..Hα-helixtrans-69.4-26.2176.2-158.4-158.7-157.200113.2R403 I404 A405 R411R403-E407 WeakPolarHBondContact O-CB 3.45Å; R403-E407 PolarHBondContact O-N 3.4Å; I404-E407 PolarHBondContact O-N 2.95Å; A405-E407 VanDerWaalsContact C-N 3.34Å; A405-E407 PolarHBondContact O-N 3.01Å; E407-R411 VanDerWaalsContact O-CG 3.28Å; E407-R411 WeakPolarHBondContact O-CG 3.39Å; E407-R411 PolarHBondContact O-N 2.7Å; E407-R411 IonicContact OE1-CZ 3.36Å; E407-R411 IonicContact OE1-NH1 2.7Å; E407-R411 IonicContact OE1-NH2 3.18Å; E407-R411 PolarHBondContact OE1-NH2 2.98Å; E407-R411 IonicContact OE2-CZ 2.74Å; E407-R411 IonicContact OE2-NH1 2.77Å; E407-R411 PolarHBondContact OE2-NH1 3.44Å; E407-R411 IonicContact OE2-NH2 3.55Å; E407-R411 PolarHBondContact OE2-NH2 3.49Å
408Q95.3Very high95.8Very high88 Ų88101.6 Ų101.641%0.41152%0.516SS..Hα-helixtrans-76-40.7171.1-69.3-59.1-5000111.8I404 A405 E406 R411 Q412I404-Q408 WeakPolarHBondContact O-CG 3.38Å; I404-Q408 PolarHBondContact O-N 3.13Å; A405-Q408 PolarHBondContact O-N 3.46Å; A405-Q408 VanDerWaalsContact O-N 3.13Å; E406-Q408 VanDerWaalsContact C-N 3.32Å; E406-Q408 PolarHBondContact O-N 2.97Å; Q408-R411 VanDerWaalsContact NE2-NH1 3.2Å; Q408-R411 PolarHBondContact O-N 3.31Å; Q408-Q412 WeakPolarHBondContact O-CG 3.49Å; Q408-Q412 PolarHBondContact O-N 2.94Å
409D95.4Very high95.9Very high102 Ų102100.8 Ų100.855%0.54551%0.512SS..Hα-helixtrans-66-41.3177.2-166.360.3000111.5A405 E406 R411 Q412 T413A405-D409 PolarHBondContact O-N 3.3Å; E406-D409 PolarHBondContact O-N 2.88Å; D409-R411 PolarHBondContact O-N 3.29Å; D409-Q412 PolarHBondContact O-N 2.83Å; D409-T413 WeakPolarHBondContact O-CG2 3.42Å; D409-T413 PolarHBondContact O-N 2.85Å; D409-T413 PolarHBondContact O-OG1 2.78Å
410Q95.9Very high95.9Very high101 Ų101100.5 Ų100.547%0.47251%0.51SS..Hα-helixtrans-58.6-44.3171.5-177.56033.500112E406 Q412 T413 E414E406-Q410 WeakPolarHBondContact O-CB 3.44Å; E406-Q410 PolarHBondContact O-N 3.18Å; Q410-Q412 VanDerWaalsContact C-N 3.35Å; Q410-Q412 PolarHBondContact O-N 3.47Å; Q410-T413 WeakPolarHBondContact CA-OG1 3.32Å; Q410-T413 PolarHBondContact O-N 3.36Å; Q410-T413 PolarHBondContact O-OG1 2.77Å; Q410-E414 PolarHBondContact NE2-OE1 2.87Å; Q410-E414 WeakPolarHBondContact O-CB 3.47Å; Q410-E414 VanDerWaalsContact O-CG 3.31Å; Q410-E414 WeakPolarHBondContact O-CG 3.3Å; Q410-E414 PolarHBondContact O-N 3.15Å
411R95.1Very high95.9Very high113 Ų11398.7 Ų98.743%0.42651%0.508SS..Hα-helixtrans-65.3-36.2175.2-76.2178.2-175.5112.85112.9E407 Q408 D409 A415E407-R411 VanDerWaalsContact O-CG 3.28Å; E407-R411 WeakPolarHBondContact O-CG 3.39Å; E407-R411 PolarHBondContact O-N 2.7Å; E407-R411 IonicContact OE1-CZ 3.36Å; E407-R411 IonicContact OE1-NH1 2.7Å; E407-R411 IonicContact OE1-NH2 3.18Å; E407-R411 PolarHBondContact OE1-NH2 2.98Å; E407-R411 IonicContact OE2-CZ 2.74Å; E407-R411 IonicContact OE2-NH1 2.77Å; E407-R411 PolarHBondContact OE2-NH1 3.44Å; E407-R411 IonicContact OE2-NH2 3.55Å; E407-R411 PolarHBondContact OE2-NH2 3.49Å; Q408-R411 VanDerWaalsContact NE2-NH1 3.2Å; Q408-R411 PolarHBondContact O-N 3.31Å; D409-R411 PolarHBondContact O-N 3.29Å; R411-A415 WeakPolarHBondContact O-CB 3.36Å; R411-A415 PolarHBondContact O-N 3.34Å; R411-A415 VanDerWaalsContact O-N 3.08Å
412Q95.6Very high96Very high114 Ų11499 Ų9953%0.53350%0.503SS..Hα-helixtrans-71-43177.8-74.1-179.947.500111.5Q408 D409 Q410 A415 I416Q408-Q412 WeakPolarHBondContact O-CG 3.49Å; Q408-Q412 PolarHBondContact O-N 2.94Å; D409-Q412 PolarHBondContact O-N 2.83Å; Q410-Q412 VanDerWaalsContact C-N 3.35Å; Q410-Q412 PolarHBondContact O-N 3.47Å; Q412-A415 PolarHBondContact O-N 3.18Å; Q412-I416 WeakPolarHBondContact O-CB 3.31Å; Q412-I416 WeakPolarHBondContact O-CD1 3.43Å; Q412-I416 WeakPolarHBondContact O-CG1 3.48Å; Q412-I416 PolarHBondContact O-N 3.01Å
413T96Very high96.1Very high62 Ų62100.9 Ų100.938%0.3851%0.507SS..Hα-helixtrans-65.7-39.9176.550.50000112.1D409 Q410 I416 Q417D409-T413 WeakPolarHBondContact O-CG2 3.42Å; D409-T413 PolarHBondContact O-N 2.85Å; D409-T413 PolarHBondContact O-OG1 2.78Å; Q410-T413 WeakPolarHBondContact CA-OG1 3.32Å; Q410-T413 PolarHBondContact O-N 3.36Å; Q410-T413 PolarHBondContact O-OG1 2.77Å; T413-I416 PolarHBondContact O-N 3.26Å; T413-Q417 WeakPolarHBondContact O-CB 3.44Å; T413-Q417 PolarHBondContact O-N 3.47Å
414E96.9Very high96Very high102 Ų10296 Ų9648%0.47750%0.499SS..Hα-helixtrans-59.9-45.1170.7-77172.8-163.700112.5Q410 Q417 L418Q410-E414 PolarHBondContact NE2-OE1 2.87Å; Q410-E414 WeakPolarHBondContact O-CB 3.47Å; Q410-E414 VanDerWaalsContact O-CG 3.31Å; Q410-E414 WeakPolarHBondContact O-CG 3.3Å; Q410-E414 PolarHBondContact O-N 3.15Å; E414-Q417 PolarHBondContact O-N 2.57Å; E414-L418 PolarHBondContact O-N 3.27Å
415A97Very high96.1Very high52 Ų5297 Ų9743%0.4350%0.504SS..Hα-helixtrans-64.8-40.6177.100000112.3R411 Q412 L418 L419R411-A415 WeakPolarHBondContact O-CB 3.36Å; R411-A415 PolarHBondContact O-N 3.34Å; R411-A415 VanDerWaalsContact O-N 3.08Å; Q412-A415 PolarHBondContact O-N 3.18Å; A415-L418 PolarHBondContact O-N 2.97Å; A415-L419 WeakPolarHBondContact O-CG 3.41Å; A415-L419 PolarHBondContact O-N 3.46Å
416I96.4Very high96.2Very high86 Ų8699.3 Ų99.344%0.44151%0.507SS..Hα-helixtrans-63.3-44174.1-70.7163.2000110.4Q412 T413 L418 L419 Q420Q412-I416 WeakPolarHBondContact O-CB 3.31Å; Q412-I416 WeakPolarHBondContact O-CD1 3.43Å; Q412-I416 WeakPolarHBondContact O-CG1 3.48Å; Q412-I416 PolarHBondContact O-N 3.01Å; T413-I416 PolarHBondContact O-N 3.26Å; I416-L418 PolarHBondContact O-N 3.32Å; I416-L419 PolarHBondContact O-N 2.94Å; I416-Q420 HydrophobicContact CG2-CG 4.38Å; I416-Q420 WeakPolarHBondContact O-CB 3.45Å; I416-Q420 VanDerWaalsContact O-CG 3.31Å; I416-Q420 WeakPolarHBondContact O-CG 3.22Å; I416-Q420 PolarHBondContact O-N 2.95Å
417Q96.9Very high96.3Very high133 Ų13397 Ų9762%0.62150%0.502SS*.Hα-helixtrans-63.5-40.2178.6-168.9-179.825.300111.7T413 E414 Q420 A421T413-Q417 WeakPolarHBondContact O-CB 3.44Å; T413-Q417 PolarHBondContact O-N 3.47Å; E414-Q417 PolarHBondContact O-N 2.57Å; Q417-Q420 PolarHBondContact O-N 2.94Å; Q417-A421 WeakPolarHBondContact O-CB 3.28Å; Q417-A421 PolarHBondContact O-N 2.89Å
418L97.1Very high96.3Very high114 Ų11498.7 Ų98.760%0.59751%0.51SS*.Hα-helixtrans-62.3-45.4173.8-171.6158.9000111.2E414 A415 I416 Q420 A421 Q422E414-L418 PolarHBondContact O-N 3.27Å; A415-L418 PolarHBondContact O-N 2.97Å; I416-L418 PolarHBondContact O-N 3.32Å; L418-Q420 PolarHBondContact O-N 2.89Å; L418-A421 PolarHBondContact O-N 3.43Å; L418-Q422 PolarHBondContact O-N 3.13Å
419L96.9Very high96.3Very high108 Ų10899 Ų9957%0.56551%0.514SS*.Hα-helixtrans-64.9-37.5177.2-70.9170000112.3A415 I416 Q422 L423A415-L419 WeakPolarHBondContact O-CG 3.41Å; A415-L419 PolarHBondContact O-N 3.46Å; I416-L419 PolarHBondContact O-N 2.94Å; L419-Q422 PolarHBondContact O-N 3.37Å; L419-L423 VanDerWaalsContact O-CB 3.3Å; L419-L423 WeakPolarHBondContact O-CB 3.31Å; L419-L423 PolarHBondContact O-N 2.85Å
420Q96.8Very high96.4Very high119 Ų11998.6 Ų98.656%0.55652%0.515SS*.Hα-helixtrans-65.8-39.5172.5-72.7174.2-200112.1I416 Q417 L418 L423 T424I416-Q420 HydrophobicContact CG2-CG 4.38Å; I416-Q420 WeakPolarHBondContact O-CB 3.45Å; I416-Q420 VanDerWaalsContact O-CG 3.31Å; I416-Q420 WeakPolarHBondContact O-CG 3.22Å; I416-Q420 PolarHBondContact O-N 2.95Å; Q417-Q420 PolarHBondContact O-N 2.94Å; L418-Q420 PolarHBondContact O-N 2.89Å; Q420-L423 PolarHBondContact O-N 2.85Å; Q420-T424 WeakPolarHBondContact O-CB 3.31Å; Q420-T424 WeakPolarHBondContact O-CG2 3.35Å; Q420-T424 PolarHBondContact O-N 3.36Å; Q420-T424 PolarHBondContact O-OG1 3Å
421A96.3Very high96.3Very high56 Ų5696.8 Ų96.846%0.46351%0.513SS..Hα-helixtrans-65.6-39.5174.100000111.9Q417 L418 T424 N425Q417-A421 WeakPolarHBondContact O-CB 3.28Å; Q417-A421 PolarHBondContact O-N 2.89Å; L418-A421 PolarHBondContact O-N 3.43Å; A421-T424 WeakPolarHBondContact CA-OG1 3.34Å; A421-T424 PolarHBondContact O-OG1 3.11Å; A421-T424 VanDerWaalsContact O-OG1 3.07Å; A421-N425 VanDerWaalsContact O-CB 3.27Å; A421-N425 WeakPolarHBondContact O-CB 3.38Å; A421-N425 PolarHBondContact O-N 2.88Å
422Q96.9Very high96.4Very high97 Ų9796.1 Ų96.145%0.45352%0.518SS..Hα-helixtrans-66.2-43.9173.7-177.9179.4-16.900111.5L418 L419 N425 M426L418-Q422 PolarHBondContact O-N 3.13Å; L419-Q422 PolarHBondContact O-N 3.37Å; Q422-N425 PolarHBondContact O-N 3.32Å; Q422-M426 HydrophobicContact CG-SD 4.5Å; Q422-M426 WeakPolarHBondContact O-CB 3.36Å; Q422-M426 WeakPolarHBondContact O-CG 3.41Å; Q422-M426 PolarHBondContact O-N 2.96Å
423L96.8Very high96.3Very high114 Ų11495.1 Ų95.160%0.59752%0.516SS*.Hα-helixtrans-65.5-44.3-179.9-174139.3000111.4L419 Q420 M426 T427L419-L423 VanDerWaalsContact O-CB 3.3Å; L419-L423 WeakPolarHBondContact O-CB 3.31Å; L419-L423 PolarHBondContact O-N 2.85Å; Q420-L423 PolarHBondContact O-N 2.85Å; L423-M426 PolarHBondContact O-N 3.46Å; L423-T427 WeakPolarHBondContact O-CB 3.33Å; L423-T427 PolarHBondContact O-N 3.18Å; L423-T427 PolarHBondContact O-OG1 2.75Å
424T95.6Very high96.3Very high87 Ų8795.5 Ų95.553%0.53452%0.521SS..Hα-helixtrans-63.8-40.6174.848.20000112.2Q420 A421 T427 Q428Q420-T424 WeakPolarHBondContact O-CB 3.31Å; Q420-T424 WeakPolarHBondContact O-CG2 3.35Å; Q420-T424 PolarHBondContact O-N 3.36Å; Q420-T424 PolarHBondContact O-OG1 3Å; A421-T424 WeakPolarHBondContact CA-OG1 3.34Å; A421-T424 PolarHBondContact O-OG1 3.11Å; A421-T424 VanDerWaalsContact O-OG1 3.07Å; T424-T427 PolarHBondContact O-N 2.59Å; T424-Q428 WeakPolarHBondContact O-CB 3.4Å; T424-Q428 PolarHBondContact O-N 3.48Å
425N96.9Very high96.2Very high102 Ų10293.3 Ų93.355%0.54552%0.521SS..Hα-helixtrans-62.4-44.5174.3-173.3-90.6000112.3A421 Q422 Q428 L429A421-N425 VanDerWaalsContact O-CB 3.27Å; A421-N425 WeakPolarHBondContact O-CB 3.38Å; A421-N425 PolarHBondContact O-N 2.88Å; Q422-N425 PolarHBondContact O-N 3.32Å; N425-Q428 PolarHBondContact O-N 3.23Å; N425-L429 PolarHBondContact O-N 2.91Å
426M96.3Very high96Very high107 Ų10793.3 Ų93.353%0.52752%0.515SS..Hα-helixtrans-65.6-39174.6-76.7-169.9161.100112.3Q422 L423 Q428 L429 V430Q422-M426 HydrophobicContact CG-SD 4.5Å; Q422-M426 WeakPolarHBondContact O-CB 3.36Å; Q422-M426 WeakPolarHBondContact O-CG 3.41Å; Q422-M426 PolarHBondContact O-N 2.96Å; L423-M426 PolarHBondContact O-N 3.46Å; M426-Q428 VanDerWaalsContact C-N 3.34Å; M426-Q428 PolarHBondContact O-N 3.44Å; M426-L429 PolarHBondContact O-N 2.89Å; M426-V430 WeakPolarHBondContact O-CB 3.46Å; M426-V430 VanDerWaalsContact O-CG2 3.3Å; M426-V430 WeakPolarHBondContact O-CG2 3.43Å; M426-V430 PolarHBondContact O-N 2.83Å
427T96.1Very high95.9Very high83 Ų8392.8 Ų92.851%0.50952%0.516SS..Hα-helixtrans-62.9-39.4173.4-60.60000111.5L423 T424 V430 S431L423-T427 WeakPolarHBondContact O-CB 3.33Å; L423-T427 PolarHBondContact O-N 3.18Å; L423-T427 PolarHBondContact O-OG1 2.75Å; T424-T427 PolarHBondContact O-N 2.59Å; T427-V430 PolarHBondContact O-N 3.33Å; T427-S431 WeakPolarHBondContact O-CB 3.2Å; T427-S431 PolarHBondContact O-N 2.97Å; T427-S431 PolarHBondContact O-OG 3.38Å
428Q96Very high95.7Very high133 Ų13388.3 Ų88.362%0.62150%0.501SS*.Hα-helixtrans-66.7-38.7174.5-173.1-178.44.200112.2T424 N425 M426 S431 N432T424-Q428 WeakPolarHBondContact O-CB 3.4Å; T424-Q428 PolarHBondContact O-N 3.48Å; N425-Q428 PolarHBondContact O-N 3.23Å; M426-Q428 VanDerWaalsContact C-N 3.34Å; M426-Q428 PolarHBondContact O-N 3.44Å; Q428-S431 PolarHBondContact O-N 2.83Å; Q428-S431 PolarHBondContact O-OG 3.28Å; Q428-S431 VanDerWaalsContact O-OG 3.09Å; Q428-N432 WeakPolarHBondContact O-CB 3.35Å; Q428-N432 PolarHBondContact O-N 3.48Å
429L96.6Very high95.5Very high94 Ų9489.3 Ų89.349%0.49250%0.503SS..Hα-helixtrans-64.7-43.8173-179.660.6000111.1N425 M426 N432 L433N425-L429 PolarHBondContact O-N 2.91Å; M426-L429 PolarHBondContact O-N 2.89Å; L429-N432 PolarHBondContact O-N 3.35Å; L429-L433 HydrophobicContact CD1-CD1 4.12Å; L429-L433 HydrophobicContact CD1-CG 4.29Å; L429-L433 HydrophobicContact CG-CD1 4.01Å; L429-L433 WeakPolarHBondContact O-CB 3.35Å; L429-L433 VanDerWaalsContact O-CG 3.26Å; L429-L433 WeakPolarHBondContact O-CG 3.19Å; L429-L433 PolarHBondContact O-N 3.1Å
430V96.2Very high95.3Very high94 Ų9488.9 Ų88.957%0.5750%0.501SS*.Hα-helixtrans-66.6-35.7177.5169.50000112.1M426 T427 S434M426-V430 WeakPolarHBondContact O-CB 3.46Å; M426-V430 VanDerWaalsContact O-CG2 3.3Å; M426-V430 WeakPolarHBondContact O-CG2 3.43Å; M426-V430 PolarHBondContact O-N 2.83Å; T427-V430 PolarHBondContact O-N 3.33Å; V430-S434 VanDerWaalsContact O-CB 3.3Å; V430-S434 WeakPolarHBondContact O-CB 3.31Å; V430-S434 PolarHBondContact O-N 2.98Å; V430-S434 PolarHBondContact O-OG 3.46Å
431S94.7Very high95Very high62 Ų6290.3 Ų90.343%0.43451%0.505SS..Hα-helixtrans-73.8-34.7176.568.50000112.9T427 Q428 S434 A435T427-S431 WeakPolarHBondContact O-CB 3.2Å; T427-S431 PolarHBondContact O-N 2.97Å; T427-S431 PolarHBondContact O-OG 3.38Å; Q428-S431 PolarHBondContact O-N 2.83Å; Q428-S431 PolarHBondContact O-OG 3.28Å; Q428-S431 VanDerWaalsContact O-OG 3.09Å; S431-S434 PolarHBondContact O-N 3.07Å; S431-S434 PolarHBondContact O-OG 2.98Å; S431-S434 VanDerWaalsContact O-OG 3.1Å; S431-A435 WeakPolarHBondContact O-CB 3.39Å; S431-A435 PolarHBondContact O-N 3.39Å
432N96.2Very high94.8Very high99 Ų9996.4 Ų96.453%0.52952%0.516SS..Hα-helixtrans-66.6-45.5170.7-171.9-6.2000111.3Q428 L429 S434 A435 T436Q428-N432 WeakPolarHBondContact O-CB 3.35Å; Q428-N432 PolarHBondContact O-N 3.48Å; L429-N432 PolarHBondContact O-N 3.35Å; N432-S434 VanDerWaalsContact C-N 3.35Å; N432-S434 PolarHBondContact O-N 3.15Å; N432-A435 PolarHBondContact O-N 3.49Å; N432-T436 PolarHBondContact O-N 3.28Å; N432-T436 PolarHBondContact O-OG1 3.14Å; N432-T436 VanDerWaalsContact O-OG1 3.06Å
433L94.8Very high94.5Very high94 Ų9495.9 Ų95.949%0.49251%0.514SS..Hα-helixtrans-64.1-36.6174.4-71.3173.4000112.4L429 T436 V437L429-L433 HydrophobicContact CD1-CD1 4.12Å; L429-L433 HydrophobicContact CD1-CG 4.29Å; L429-L433 HydrophobicContact CG-CD1 4.01Å; L429-L433 WeakPolarHBondContact O-CB 3.35Å; L429-L433 VanDerWaalsContact O-CG 3.26Å; L429-L433 WeakPolarHBondContact O-CG 3.19Å; L429-L433 PolarHBondContact O-N 3.1Å; L433-T436 WeakPolarHBondContact CA-OG1 3.48Å; L433-T436 PolarHBondContact O-OG1 2.85Å; L433-V437 VanDerWaalsContact O-CB 3.28Å; L433-V437 WeakPolarHBondContact O-CB 3.25Å; L433-V437 WeakPolarHBondContact O-CG2 3.39Å; L433-V437 PolarHBondContact O-N 3.09Å
434S95.2Very high94.3Very high69 Ų6993.7 Ų93.748%0.48351%0.505SS..Hα-helixtrans-72-33.8175.876.20000112.4V430 S431 N432 A438V430-S434 VanDerWaalsContact O-CB 3.3Å; V430-S434 WeakPolarHBondContact O-CB 3.31Å; V430-S434 PolarHBondContact O-N 2.98Å; V430-S434 PolarHBondContact O-OG 3.46Å; S431-S434 PolarHBondContact O-N 3.07Å; S431-S434 PolarHBondContact O-OG 2.98Å; S431-S434 VanDerWaalsContact O-OG 3.1Å; N432-S434 VanDerWaalsContact C-N 3.35Å; N432-S434 PolarHBondContact O-N 3.15Å; S434-A438 VanDerWaalsContact O-CB 3.27Å; S434-A438 WeakPolarHBondContact O-CB 3.37Å; S434-A438 PolarHBondContact O-N 3.39Å
435A94.3Very high94Very high57 Ų5793 Ų9347%0.47150%0.504SS..Hα-helixtrans-63.9-51172.300000111.9S431 N432 V437 A438 E439S431-A435 WeakPolarHBondContact O-CB 3.39Å; S431-A435 PolarHBondContact O-N 3.39Å; N432-A435 PolarHBondContact O-N 3.49Å; A435-V437 VanDerWaalsContact C-N 3.34Å; A435-V437 PolarHBondContact O-N 3.33Å; A435-A438 CarbonylContact O-C 3.58Å; A435-A438 WeakPolarHBondContact O-CA 3.25Å; A435-A438 WeakPolarHBondContact O-CB 3.43Å; A435-A438 PolarHBondContact O-N 2.82Å; A435-E439 PolarHBondContact O-N 2.9Å
436T93.5Very high93.8Very high52 Ų5291.8 Ų91.832%0.31950%0.497SS..Hα-helixtrans-63.2-36.8175.851.90000112.5N432 L433 E439 L440N432-T436 PolarHBondContact O-N 3.28Å; N432-T436 PolarHBondContact O-OG1 3.14Å; N432-T436 VanDerWaalsContact O-OG1 3.06Å; L433-T436 WeakPolarHBondContact CA-OG1 3.48Å; L433-T436 PolarHBondContact O-OG1 2.85Å; T436-E439 PolarHBondContact O-N 3.18Å; T436-L440 WeakPolarHBondContact O-CB 3.5Å; T436-L440 WeakPolarHBondContact O-CD1 3.47Å; T436-L440 VanDerWaalsContact O-CG 3.31Å; T436-L440 WeakPolarHBondContact O-CG 3.46Å; T436-L440 PolarHBondContact O-N 2.94Å
437V94.5Very high93.6Very high74 Ų7493.4 Ų93.445%0.44850%0.497SS..Hα-helixtrans-65.3-37.9170.7167.40000111.5L433 A435 K441L433-V437 VanDerWaalsContact O-CB 3.28Å; L433-V437 WeakPolarHBondContact O-CB 3.25Å; L433-V437 WeakPolarHBondContact O-CG2 3.39Å; L433-V437 PolarHBondContact O-N 3.09Å; A435-V437 VanDerWaalsContact C-N 3.34Å; A435-V437 PolarHBondContact O-N 3.33Å; V437-K441 HydrophobicContact CG1-CG 4.19Å; V437-K441 VanDerWaalsContact O-CB 3.23Å; V437-K441 WeakPolarHBondContact O-CB 3.33Å; V437-K441 WeakPolarHBondContact O-CG 3.22Å; V437-K441 PolarHBondContact O-N 2.86Å
438A92.9Very high93.3Very high39 Ų3995.2 Ų95.232%0.32250%0.5SS..Hα-helixtrans-68.5-33.217600000112.6S434 A435 R442S434-A438 VanDerWaalsContact O-CB 3.27Å; S434-A438 WeakPolarHBondContact O-CB 3.37Å; S434-A438 PolarHBondContact O-N 3.39Å; A435-A438 CarbonylContact O-C 3.58Å; A435-A438 WeakPolarHBondContact O-CA 3.25Å; A435-A438 WeakPolarHBondContact O-CB 3.43Å; A435-A438 PolarHBondContact O-N 2.82Å; A438-R442 WeakPolarHBondContact O-CG 3.36Å; A438-R442 PolarHBondContact O-N 2.85Å
439E92.9Very high93.1Very high136 Ų13691.4 Ų91.464%0.63649%0.488SS*.Hα-helixtrans-67.4-52.6171.2-176174.9-157.400111.2A435 T436 K441 R442 E443A435-E439 PolarHBondContact O-N 2.9Å; T436-E439 PolarHBondContact O-N 3.18Å; E439-K441 PolarHBondContact O-N 3.33Å; E439-R442 CarbonylContact O-C 3.57Å; E439-R442 WeakPolarHBondContact O-CA 3.36Å; E439-R442 WeakPolarHBondContact O-CB 2.8Å; E439-R442 PolarHBondContact O-N 3.04Å; E439-E443 PolarHBondContact O-N 2.85Å
440L91.8Very high93Very high98 Ų9894.1 Ų94.151%0.51349%0.493SS..Hα-helixtrans-56.6-37.5173.8-74.3163.6000112.1T436 E443 V444T436-L440 WeakPolarHBondContact O-CB 3.5Å; T436-L440 WeakPolarHBondContact O-CD1 3.47Å; T436-L440 VanDerWaalsContact O-CG 3.31Å; T436-L440 WeakPolarHBondContact O-CG 3.46Å; T436-L440 PolarHBondContact O-N 2.94Å; L440-E443 PolarHBondContact O-N 3.15Å; L440-V444 WeakPolarHBondContact O-CB 3.4Å; L440-V444 VanDerWaalsContact O-CG2 3.27Å; L440-V444 WeakPolarHBondContact O-CG2 3.31Å; L440-V444 PolarHBondContact O-N 3.33Å
441K90.8Very high92.9Very high149 Ų14995.3 Ų95.365%0.64850%0.495SS*.Hα-helixtrans-65.8-40.6173.9-75.3-81.8-1781720111.9V437 E439 S445V437-K441 HydrophobicContact CG1-CG 4.19Å; V437-K441 VanDerWaalsContact O-CB 3.23Å; V437-K441 WeakPolarHBondContact O-CB 3.33Å; V437-K441 WeakPolarHBondContact O-CG 3.22Å; V437-K441 PolarHBondContact O-N 2.86Å; E439-K441 PolarHBondContact O-N 3.33Å; K441-S445 WeakPolarHBondContact O-CB 3.48Å; K441-S445 PolarHBondContact O-N 2.88Å
442R91Very high93Very high185 Ų18596.7 Ų96.770%0.69850%0.501SS*.Hα-helixtrans-63.5-49172.4-79.7-175.9173.391.5-4.4111.1A438 E439 V444 S445 D446A438-R442 WeakPolarHBondContact O-CG 3.36Å; A438-R442 PolarHBondContact O-N 2.85Å; E439-R442 CarbonylContact O-C 3.57Å; E439-R442 WeakPolarHBondContact O-CA 3.36Å; E439-R442 WeakPolarHBondContact O-CB 2.8Å; E439-R442 PolarHBondContact O-N 3.04Å; R442-V444 VanDerWaalsContact C-N 3.34Å; R442-V444 PolarHBondContact O-N 3.47Å; R442-S445 PolarHBondContact O-N 3.34Å; R442-S445 VanDerWaalsContact O-N 3.17Å; R442-D446 VanDerWaalsContact O-CB 3.29Å; R442-D446 WeakPolarHBondContact O-CB 3.38Å; R442-D446 PolarHBondContact O-N 3.45Å
443E92.5Very high92.9Very high86 Ų8696.3 Ų96.340%0.40250%0.498SS..Hα-helixtrans-61.1-40.3-179-159.5-152.3-166.700112.4E439 L440 R447E439-E443 PolarHBondContact O-N 2.85Å; L440-E443 PolarHBondContact O-N 3.15Å; E443-R447 WeakPolarHBondContact O-CG 3.48Å; E443-R447 PolarHBondContact O-N 2.83Å; E443-R447 VanDerWaalsContact O-N 3.14Å; E443-R447 IonicContact OE1-CZ 3.19Å; E443-R447 IonicContact OE1-NH1 2.99Å; E443-R447 PolarHBondContact OE1-NH1 3.44Å; E443-R447 IonicContact OE1-NH2 2.66Å; E443-R447 PolarHBondContact OE1-NH2 2.85Å; E443-R447 IonicContact OE2-CZ 3.77Å; E443-R447 IonicContact OE2-NH1 2.81Å; E443-R447 PolarHBondContact OE2-NH1 2.92Å; E443-R447 IonicContact OE2-NH2 3.94Å
444V90.9Very high92.8Very high68 Ų6894.6 Ų94.641%0.41249%0.494SS..Hα-helixtrans-71.2-40.7174.1171.10000111.8L440 R442 D446 Q448L440-V444 WeakPolarHBondContact O-CB 3.4Å; L440-V444 VanDerWaalsContact O-CG2 3.27Å; L440-V444 WeakPolarHBondContact O-CG2 3.31Å; L440-V444 PolarHBondContact O-N 3.33Å; R442-V444 VanDerWaalsContact C-N 3.34Å; R442-V444 PolarHBondContact O-N 3.47Å; V444-D446 VanDerWaalsContact C-N 3.33Å; V444-Q448 WeakPolarHBondContact O-CB 3.29Å; V444-Q448 VanDerWaalsContact O-CG 3.3Å; V444-Q448 WeakPolarHBondContact O-CG 3.37Å; V444-Q448 PolarHBondContact O-N 2.9Å
445S90.8Very high92.9Very high73 Ų7396.8 Ų96.851%0.5150%0.499SS..Hα-helixtrans-63.1-39.9176.4-173.20000111.8K441 R442 Q448 S449K441-S445 WeakPolarHBondContact O-CB 3.48Å; K441-S445 PolarHBondContact O-N 2.88Å; R442-S445 PolarHBondContact O-N 3.34Å; R442-S445 VanDerWaalsContact O-N 3.17Å; S445-Q448 CarbonylContact O-C 3.59Å; S445-Q448 PolarHBondContact O-N 3.44Å; S445-S449 WeakPolarHBondContact O-CB 3.19Å; S445-S449 PolarHBondContact O-N 3.41Å
446D92.8Very high93Very high76 Ų7698.1 Ų98.141%0.40650%0.502SS..Hα-helixtrans-68.3-45.3178.8-172.247.4000111.6R442 V444 Q448 S449 Y450R442-D446 VanDerWaalsContact O-CB 3.29Å; R442-D446 WeakPolarHBondContact O-CB 3.38Å; R442-D446 PolarHBondContact O-N 3.45Å; V444-D446 VanDerWaalsContact C-N 3.33Å; D446-Q448 VanDerWaalsContact C-N 3.27Å; D446-Q448 PolarHBondContact O-N 2.85Å; D446-S449 WeakPolarHBondContact O-CB 3.3Å; D446-S449 PolarHBondContact O-N 2.93Å; D446-S449 VanDerWaalsContact O-N 3.09Å; D446-Y450 VanDerWaalsContact O-CD2 3.26Å; D446-Y450 WeakPolarHBondContact O-CD2 3.33Å; D446-Y450 PolarHBondContact O-N 3.22Å; D446-Y450 VanDerWaalsContact OD2-CE2 3.28Å; D446-Y450 WeakPolarHBondContact OD2-CE2 3.26Å
447R91.9Very high93.1Very high140 Ų140100.5 Ų100.553%0.52851%0.512SS..Hα-helixtrans-58.9-36.6170.1-73.2-176-177.9117.18.5113E443 L451E443-R447 WeakPolarHBondContact O-CG 3.48Å; E443-R447 PolarHBondContact O-N 2.83Å; E443-R447 VanDerWaalsContact O-N 3.14Å; E443-R447 IonicContact OE1-CZ 3.19Å; E443-R447 IonicContact OE1-NH1 2.99Å; E443-R447 PolarHBondContact OE1-NH1 3.44Å; E443-R447 IonicContact OE1-NH2 2.66Å; E443-R447 PolarHBondContact OE1-NH2 2.85Å; E443-R447 IonicContact OE2-CZ 3.77Å; E443-R447 IonicContact OE2-NH1 2.81Å; E443-R447 PolarHBondContact OE2-NH1 2.92Å; E443-R447 IonicContact OE2-NH2 3.94Å; R447-L451 WeakPolarHBondContact O-CG 3.49Å; R447-L451 PolarHBondContact O-N 3.4Å
448Q90.2Very high93.1Very high121 Ų121101 Ų10157%0.56552%0.517SS*.Hα-helixtrans-70.5-38.9174-72.8177.214.800111.9V444 S445 D446 L451 V452V444-Q448 WeakPolarHBondContact O-CB 3.29Å; V444-Q448 VanDerWaalsContact O-CG 3.3Å; V444-Q448 WeakPolarHBondContact O-CG 3.37Å; V444-Q448 PolarHBondContact O-N 2.9Å; S445-Q448 CarbonylContact O-C 3.59Å; S445-Q448 PolarHBondContact O-N 3.44Å; D446-Q448 VanDerWaalsContact C-N 3.27Å; D446-Q448 PolarHBondContact O-N 2.85Å; Q448-L451 PolarHBondContact O-N 3.26Å; Q448-V452 WeakPolarHBondContact O-CG2 3.46Å; Q448-V452 PolarHBondContact O-N 2.92Å
449S91.1Very high93.3Very high53 Ų53103 Ų10337%0.37153%0.526SS..Hα-helixtrans-59-51.7174.7-1730000111.2S445 D446 L451 V452 I453S445-S449 WeakPolarHBondContact O-CB 3.19Å; S445-S449 PolarHBondContact O-N 3.41Å; D446-S449 WeakPolarHBondContact O-CB 3.3Å; D446-S449 PolarHBondContact O-N 2.93Å; D446-S449 VanDerWaalsContact O-N 3.09Å; S449-L451 VanDerWaalsContact C-N 3.29Å; S449-L451 PolarHBondContact O-N 2.98Å; S449-V452 PolarHBondContact O-N 2.66Å; S449-V452 VanDerWaalsContact O-N 3.11Å; S449-I453 WeakPolarHBondContact O-CB 3.49Å; S449-I453 VanDerWaalsContact O-CG1 3.29Å; S449-I453 WeakPolarHBondContact O-CG1 3.4Å; S449-I453 PolarHBondContact O-N 3.45Å
450Y94.4Very high93.5Very high152 Ų152100.2 Ų100.260%0.59652%0.518SS*.Hα-helixtrans-57.3-39.3175.5-76.4-58.6000113D446 S454D446-Y450 VanDerWaalsContact O-CD2 3.26Å; D446-Y450 WeakPolarHBondContact O-CD2 3.33Å; D446-Y450 PolarHBondContact O-N 3.22Å; D446-Y450 VanDerWaalsContact OD2-CE2 3.28Å; D446-Y450 WeakPolarHBondContact OD2-CE2 3.26Å; Y450-S454 WeakPolarHBondContact O-CB 3.4Å; Y450-S454 PolarHBondContact O-N 3.49Å; Y450-S454 PolarHBondContact O-OG 3.49Å
451L94.1Very high93.7Very high118 Ų118100.2 Ų100.262%0.61852%0.518SS*.Hα-helixtrans-65.7-43.3175.5-73.1171.9000112R447 Q448 S449 S454 L455R447-L451 WeakPolarHBondContact O-CG 3.49Å; R447-L451 PolarHBondContact O-N 3.4Å; Q448-L451 PolarHBondContact O-N 3.26Å; S449-L451 VanDerWaalsContact C-N 3.29Å; S449-L451 PolarHBondContact O-N 2.98Å; L451-S454 PolarHBondContact O-N 3.01Å; L451-S454 PolarHBondContact O-OG 3.49Å; L451-L455 PolarHBondContact O-N 3.2Å
452V95.8Very high93.9Very high91 Ų9194.6 Ų94.655%0.55250%0.502SS*.Hα-helixtrans-63.8-45.3175.4171.90000111.5Q448 S449 S454 L455 V456Q448-V452 WeakPolarHBondContact O-CG2 3.46Å; Q448-V452 PolarHBondContact O-N 2.92Å; S449-V452 PolarHBondContact O-N 2.66Å; S449-V452 VanDerWaalsContact O-N 3.11Å; V452-S454 VanDerWaalsContact C-N 3.32Å; V452-S454 PolarHBondContact O-N 3.37Å; V452-L455 WeakPolarHBondContact O-CB 3.26Å; V452-L455 PolarHBondContact O-N 2.92Å; V452-V456 WeakPolarHBondContact O-CG2 3.38Å; V452-V456 PolarHBondContact O-N 2.74Å
453I94.6Very high94.1Very high92 Ų9291 Ų9147%0.47250%0.496SS..Hα-helixtrans-59.3-44.4175.8-67.2163.6000110.3S449 L455 V456 L457S449-I453 WeakPolarHBondContact O-CB 3.49Å; S449-I453 VanDerWaalsContact O-CG1 3.29Å; S449-I453 WeakPolarHBondContact O-CG1 3.4Å; S449-I453 PolarHBondContact O-N 3.45Å; I453-L455 VanDerWaalsContact C-N 3.34Å; I453-L455 PolarHBondContact O-N 3.41Å; I453-V456 PolarHBondContact O-N 2.94Å; I453-L457 WeakPolarHBondContact O-CB 3.44Å; I453-L457 PolarHBondContact O-N 2.82Å
454S93.3Very high94.1Very high57 Ų5792.8 Ų92.840%0.39951%0.506SS..Hα-helixtrans-62.7-38.9177.177.70000112.6Y450 L451 V452 L457 C458Y450-S454 WeakPolarHBondContact O-CB 3.4Å; Y450-S454 PolarHBondContact O-N 3.49Å; Y450-S454 PolarHBondContact O-OG 3.49Å; L451-S454 PolarHBondContact O-N 3.01Å; L451-S454 PolarHBondContact O-OG 3.49Å; V452-S454 VanDerWaalsContact C-N 3.32Å; V452-S454 PolarHBondContact O-N 3.37Å; S454-L457 PolarHBondContact O-N 3.28Å; S454-C458 WeakPolarHBondContact O-CB 3.44Å; S454-C458 PolarHBondContact O-N 2.95Å; S454-C458 PolarHBondContact O-SG 3.38Å
455L96.1Very high94.2Very high115 Ų11594.6 Ų94.660%0.60251%0.513SS*.Hα-helixtrans-65.6-45.9177.1-179.865.5000111.5L451 V452 I453 L457 C458 V459L451-L455 PolarHBondContact O-N 3.2Å; V452-L455 WeakPolarHBondContact O-CB 3.26Å; V452-L455 PolarHBondContact O-N 2.92Å; I453-L455 VanDerWaalsContact C-N 3.34Å; I453-L455 PolarHBondContact O-N 3.41Å; L455-L457 VanDerWaalsContact C-N 3.34Å; L455-L457 PolarHBondContact O-N 3.48Å; L455-C458 PolarHBondContact O-N 2.95Å; L455-V459 WeakPolarHBondContact O-CG2 3.42Å; L455-V459 PolarHBondContact O-N 2.91Å
456V96.6Very high94.3Very high85 Ų8594.9 Ų94.952%0.51551%0.514SS..Hα-helixtrans-60.2-45.2175.4171.80000110.5V452 I453 C458 V459 V460V452-V456 WeakPolarHBondContact O-CG2 3.38Å; V452-V456 PolarHBondContact O-N 2.74Å; I453-V456 PolarHBondContact O-N 2.94Å; V456-C458 PolarHBondContact O-N 2.9Å; V456-V459 PolarHBondContact O-N 3.48Å; V456-V459 VanDerWaalsContact O-N 3.12Å; V456-V460 HydrophobicContact CG1-CG2 4.48Å; V456-V460 WeakPolarHBondContact O-CG2 3.31Å; V456-V460 PolarHBondContact O-N 3.41Å
457L95.8Very high94.2Very high102 Ų10297.5 Ų97.553%0.53453%0.525SS..Hα-helixtrans-64.3-38.3178.5-169.6145.7000112I453 S454 L455 V460 L461I453-L457 WeakPolarHBondContact O-CB 3.44Å; I453-L457 PolarHBondContact O-N 2.82Å; S454-L457 PolarHBondContact O-N 3.28Å; L455-L457 VanDerWaalsContact C-N 3.34Å; L455-L457 PolarHBondContact O-N 3.48Å; L457-V460 PolarHBondContact O-N 3.22Å; L457-L461 HydrophobicContact CD2-CD1 3.63Å; L457-L461 HydrophobicContact CD2-CG 4.18Å; L457-L461 WeakPolarHBondContact O-CB 3.42Å; L457-L461 WeakPolarHBondContact O-CG 3.17Å; L457-L461 PolarHBondContact O-N 3.18Å
458C96.1Very high94.1Very high84 Ų8496 Ų9657%0.56852%0.524SS*.Hα-helixtrans-62.8-38.8170.8-74.20000113S454 L455 V456 G462S454-C458 WeakPolarHBondContact O-CB 3.44Å; S454-C458 PolarHBondContact O-N 2.95Å; S454-C458 PolarHBondContact O-SG 3.38Å; L455-C458 PolarHBondContact O-N 2.95Å; V456-C458 PolarHBondContact O-N 2.9Å; C458-G462 PolarHBondContact O-N 2.99Å
459V96.4Very high93.9Very high82 Ų8299.7 Ų99.750%0.49753%0.533SS..Hα-helixtrans-66.5-44.4175171.50000111L455 V456 G462 L463L455-V459 WeakPolarHBondContact O-CG2 3.42Å; L455-V459 PolarHBondContact O-N 2.91Å; V456-V459 PolarHBondContact O-N 3.48Å; V456-V459 VanDerWaalsContact O-N 3.12Å; V459-G462 PolarHBondContact O-N 3.35Å; V459-L463 HydrophobicContact CG1-CD1 4.09Å; V459-L463 HydrophobicContact CG1-CG 4.44Å; V459-L463 WeakPolarHBondContact O-CG 3.48Å; V459-L463 PolarHBondContact O-N 3.22Å
460V96.2Very high93.4Very high78 Ų78101 Ų10147%0.47354%0.541SS..Hα-helixtrans-61.4-46.2176.5172.30000111.2V456 L457 G462 L463 M464V456-V460 HydrophobicContact CG1-CG2 4.48Å; V456-V460 WeakPolarHBondContact O-CG2 3.31Å; V456-V460 PolarHBondContact O-N 3.41Å; L457-V460 PolarHBondContact O-N 3.22Å; V460-G462 VanDerWaalsContact C-N 3.32Å; V460-G462 PolarHBondContact O-N 3.43Å; V460-L463 PolarHBondContact O-N 3.04Å; V460-M464 HydrophobicContact CG1-CG 4.42Å; V460-M464 WeakPolarHBondContact O-CB 3.11Å; V460-M464 VanDerWaalsContact O-CG 3.29Å; V460-M464 WeakPolarHBondContact O-CG 3.31Å; V460-M464 PolarHBondContact O-N 3.12Å
461L95.6Very high92.6Very high98 Ų98102.9 Ų102.951%0.51355%0.547SS..Hα-helixtrans-62.4-38.8174.5-71.6177.8000112.1L457 M464 L465L457-L461 HydrophobicContact CD2-CD1 3.63Å; L457-L461 HydrophobicContact CD2-CG 4.18Å; L457-L461 WeakPolarHBondContact O-CB 3.42Å; L457-L461 WeakPolarHBondContact O-CG 3.17Å; L457-L461 PolarHBondContact O-N 3.18Å; L461-M464 PolarHBondContact O-N 3.49Å; L461-L465 WeakPolarHBondContact O-CB 3.39Å; L461-L465 VanDerWaalsContact O-CG 3.28Å; L461-L465 WeakPolarHBondContact O-CG 3.39Å; L461-L465 PolarHBondContact O-N 3.43Å
462G95.8Very high91.1Very high31 Ų31102 Ų10232%0.3254%0.543SS..Hα-helixtrans-60-48.2173.500000112.4C458 V459 V460 L465 C466C458-G462 PolarHBondContact O-N 2.99Å; V459-G462 PolarHBondContact O-N 3.35Å; V460-G462 VanDerWaalsContact C-N 3.32Å; V460-G462 PolarHBondContact O-N 3.43Å; G462-L465 PolarHBondContact O-N 3.47Å; G462-C466 WeakPolarHBondContact O-CB 3.33Å; G462-C466 PolarHBondContact O-N 2.93Å; G462-C466 PolarHBondContact O-SG 2.87Å; G462-C466 VanDerWaalsContact O-SG 3.37Å
463L94.6Very high89.3Confident108 Ų108102.1 Ų102.157%0.56555%0.545SS*.Hα-helixtrans-63-43.3176.2-70.5171.9000111.9V459 V460 L465 C466 M467V459-L463 HydrophobicContact CG1-CD1 4.09Å; V459-L463 HydrophobicContact CG1-CG 4.44Å; V459-L463 WeakPolarHBondContact O-CG 3.48Å; V459-L463 PolarHBondContact O-N 3.22Å; V460-L463 PolarHBondContact O-N 3.04Å; L463-L465 VanDerWaalsContact C-N 3.35Å; L463-L465 PolarHBondContact O-N 2.77Å; L463-C466 PolarHBondContact O-N 2.78Å; L463-M467 WeakPolarHBondContact O-CB 3.49Å; L463-M467 WeakPolarHBondContact O-CG 3.42Å; L463-M467 PolarHBondContact O-N 3.32Å
464M93.3Very high87.3Confident125 Ų125101.7 Ų101.762%0.61655%0.55SS*.Hα-helixtrans-62.7-40.5176.1-71.5-63.6-72.700111.9V460 L461 M467 Q468V460-M464 HydrophobicContact CG1-CG 4.42Å; V460-M464 WeakPolarHBondContact O-CB 3.11Å; V460-M464 VanDerWaalsContact O-CG 3.29Å; V460-M464 WeakPolarHBondContact O-CG 3.31Å; V460-M464 PolarHBondContact O-N 3.12Å; L461-M464 PolarHBondContact O-N 3.49Å; M464-M467 PolarHBondContact O-N 2.95Å; M464-Q468 VanDerWaalsContact O-CB 3.26Å; M464-Q468 WeakPolarHBondContact O-CB 3.26Å; M464-Q468 PolarHBondContact O-N 3.15Å
465L93.6Very high85.4Confident106 Ų106107.4 Ų107.456%0.55557%0.57SS**Hα-helixtrans-68.2-37174.1-73.3170.7000112.4L461 G462 L463 R469L461-L465 WeakPolarHBondContact O-CB 3.39Å; L461-L465 VanDerWaalsContact O-CG 3.28Å; L461-L465 WeakPolarHBondContact O-CG 3.39Å; L461-L465 PolarHBondContact O-N 3.43Å; G462-L465 PolarHBondContact O-N 3.47Å; L463-L465 VanDerWaalsContact C-N 3.35Å; L463-L465 PolarHBondContact O-N 2.77Å; L465-R469 WeakPolarHBondContact O-CB 3.28Å; L465-R469 WeakPolarHBondContact O-CG 3.44Å; L465-R469 PolarHBondContact O-N 2.74Å
466C92.5Very high83.2Confident78 Ų78111.4 Ų111.453%0.52758%0.583SS.*Hα-helixtrans-62.9-49.1172-76.40000111.4G462 L463 Q468 R469 C470G462-C466 WeakPolarHBondContact O-CB 3.33Å; G462-C466 PolarHBondContact O-N 2.93Å; G462-C466 PolarHBondContact O-SG 2.87Å; G462-C466 VanDerWaalsContact O-SG 3.37Å; L463-C466 PolarHBondContact O-N 2.78Å; C466-Q468 VanDerWaalsContact C-N 3.34Å; C466-Q468 PolarHBondContact O-N 3.43Å; C466-R469 WeakPolarHBondContact O-CB 3.39Å; C466-R469 PolarHBondContact O-N 3.02Å; C466-C470 PolarHBondContact O-N 3.5Å; C466-C470 PolarHBondContact O-SG 3.41Å
467M90.1Very high81.2Confident132 Ų132114.9 Ų114.965%0.6560%0.599SS**Hα-helixtrans-62.7-39.9177.1-68.7-60.1-72.800111.8L463 M464 C470 R471L463-M467 WeakPolarHBondContact O-CB 3.49Å; L463-M467 WeakPolarHBondContact O-CG 3.42Å; L463-M467 PolarHBondContact O-N 3.32Å; M464-M467 PolarHBondContact O-N 2.95Å; M467-C470 PolarHBondContact O-N 3.34Å; M467-R471 VanDerWaalsContact O-CB 3.25Å; M467-R471 WeakPolarHBondContact O-CB 3.3Å; M467-R471 PolarHBondContact O-N 2.88Å
468Q90.3Very high79.1Confident108 Ų108112.8 Ų112.851%0.50560%0.602SS.*Hα-helixtrans-67.5-36.4174.6-168.8174.921.500112M464 C466 N472M464-Q468 VanDerWaalsContact O-CB 3.26Å; M464-Q468 WeakPolarHBondContact O-CB 3.26Å; M464-Q468 PolarHBondContact O-N 3.15Å; C466-Q468 VanDerWaalsContact C-N 3.34Å; C466-Q468 PolarHBondContact O-N 3.43Å; Q468-N472 WeakPolarHBondContact O-CB 3.43Å; Q468-N472 PolarHBondContact O-N 3.35Å; Q468-N472 PolarHBondContact O-OD1 3.47Å
469R85.4Confident76.9Confident198 Ų198115.8 Ų115.875%0.74761%0.612SS**Hα-helixtrans-61.8-53.7171.4-75.8-79.1-179.1134.90.7110.7L465 C466 R471 N472 T473L465-R469 WeakPolarHBondContact O-CB 3.28Å; L465-R469 WeakPolarHBondContact O-CG 3.44Å; L465-R469 PolarHBondContact O-N 2.74Å; C466-R469 WeakPolarHBondContact O-CB 3.39Å; C466-R469 PolarHBondContact O-N 3.02Å; R469-R471 VanDerWaalsContact C-N 3.34Å; R469-R471 PolarHBondContact O-N 2.94Å; R469-N472 PolarHBondContact O-N 2.95Å; R469-T473 PolarHBondContact O-N 3.04Å; R469-T473 PolarHBondContact O-OG1 3.4Å; R469-T473 VanDerWaalsContact O-OG1 3.05Å
470C81.1Confident74.6Confident81 Ų81123.1 Ų123.155%0.54763%0.633SS.*Hα-helixtrans-58.8-41.6179.8-66.20000112.7C466 M467 T473 S474C466-C470 PolarHBondContact O-N 3.5Å; C466-C470 PolarHBondContact O-SG 3.41Å; M467-C470 PolarHBondContact O-N 3.34Å; C470-T473 WeakPolarHBondContact CA-OG1 3.49Å; C470-T473 PolarHBondContact O-OG1 3.19Å; C470-S474 PolarHBondContact O-N 3.03Å; C470-S474 PolarHBondContact O-OG 2.88Å
471R78.4Confident72.2Confident191 Ų191127.5 Ų127.572%0.72165%0.652SS**Hα-helixtrans-76.7-23.4179.1-159.2176.578.2170.15.4113.8M467 R469 S474M467-R471 VanDerWaalsContact O-CB 3.25Å; M467-R471 WeakPolarHBondContact O-CB 3.3Å; M467-R471 PolarHBondContact O-N 2.88Å; R469-R471 VanDerWaalsContact C-N 3.34Å; R469-R471 PolarHBondContact O-N 2.94Å; R471-S474 PolarHBondContact O-OG 3.43Å; R471-S474 VanDerWaalsContact O-OG 3.08Å
472N62.6Low70Confident99 Ų99127.3 Ų127.353%0.52966%0.659SS.*Hα-helixtrans-81.8-34.5172.1-71.58.3000111.4Q468 R469 S474 Q475Q468-N472 WeakPolarHBondContact O-CB 3.43Å; Q468-N472 PolarHBondContact O-N 3.35Å; Q468-N472 PolarHBondContact O-OD1 3.47Å; R469-N472 PolarHBondContact O-N 2.95Å; N472-S474 VanDerWaalsContact C-N 3.32Å; N472-Q475 PolarHBondContact O-N 2.93Å
473T57.2Low67.4Low95 Ų95135.1 Ų135.158%0.58368%0.684SS**Hα-helixtrans-65.8-3517344.70000112.1R469 C470 Q475 F476R469-T473 PolarHBondContact O-N 3.04Å; R469-T473 PolarHBondContact O-OG1 3.4Å; R469-T473 VanDerWaalsContact O-OG1 3.05Å; C470-T473 WeakPolarHBondContact CA-OG1 3.49Å; C470-T473 PolarHBondContact O-OG1 3.19Å; T473-Q475 PolarHBondContact O-N 2.82Å; T473-Q475 VanDerWaalsContact O-N 3.13Å; T473-F476 PolarHBondContact O-N 2.81Å; T473-F476 VanDerWaalsContact O-N 3.11Å
474S52.7Low64.6Low83 Ų83137.6 Ų137.658%0.5870%0.697SS**THydrogen-bonded Turntrans-73.34.6177.168.80000115C470 R471 N472C470-S474 PolarHBondContact O-N 3.03Å; C470-S474 PolarHBondContact O-OG 2.88Å; R471-S474 PolarHBondContact O-OG 3.43Å; R471-S474 VanDerWaalsContact O-OG 3.08Å; N472-S474 VanDerWaalsContact C-N 3.32Å
475Q52.9Low62.4Low177 Ų177137.4 Ų137.483%0.82771%0.705SS**THydrogen-bonded Turntrans-103.7-0.3167.5-78.5-15313.800113.6N472 T473N472-Q475 PolarHBondContact O-N 2.93Å; T473-Q475 PolarHBondContact O-N 2.82Å; T473-Q475 VanDerWaalsContact O-N 3.13Å
476F51.1Low59.7Low199 Ų199141.9 Ų141.987%0.87372%0.72SS**SBendtrans-117.310.1-176.5-146.3-95.8000114.2T473T473-F476 PolarHBondContact O-N 2.81Å; T473-F476 VanDerWaalsContact O-N 3.11Å
477D52.9Low56.8Low157 Ų157142.9 Ų142.984%0.8473%0.728SS**SBendtrans-121.1126.1174.8-164.315.6000109.3
478G52.1Low54Low59 Ų59143.1 Ų143.161%0.60873%0.732SS**SBendtrans146.9-102.1-168.200000114.7
479D49.6Very low51.4Low146 Ų146146.1 Ų146.178%0.78175%0.746SS**SBendtrans-90.4-15.5-149.6-69.1-43.3000117.9I481 S482D479-I481 PolarHBondContact O-N 2.91Å; D479-S482 PolarHBondContact O-OG 2.89Å
480Y48.8Very low48.8Very low237 Ų237145.4 Ų145.493%0.92974%0.744SS**THydrogen-bonded Turntrans-84.6-0.4-162.4-112.3-83.5000117.6
481I46.3Very low47.1Very low169 Ų169147.2 Ų147.287%0.86776%0.755SS**THydrogen-bonded Turntrans-102.9-7.9-177.1-58.6-179.1000112.2D479D479-I481 PolarHBondContact O-N 2.91Å
482S48.6Very low45.1Very low95 Ų95141.1 Ų141.166%0.66474%0.742SS**SBendtrans-86.9-8.1-161.765.40000117.5D479D479-S482 PolarHBondContact O-OG 2.89Å
483K40.5Very low44.5Very low194 Ų194140.9 Ų140.984%0.84375%0.746SS**  trans-140.7101.8-177.7-68.1-171.2-179.8176.80114.6
484L37.3Very low43.5Very low160 Ų160144.8 Ų144.884%0.83875%0.754SS**  trans-136.899.9169-173.280.5000111.6
485P46.8Very low42.9Very low121 Ų121151.4 Ų151.479%0.78677%0.767SS**  trans-80.1130165.531.5-30.4000110.6
486K36.7Very low42.1Very low201 Ų201148.4 Ų148.487%0.87476%0.764SS**  trans-75139.6172-67171.8177.1172.30110.7
487S31.3Very low41.2Very low98 Ų98149.2 Ų149.269%0.68577%0.768SS**  167.9126.7122.1-175.40000112.2
488N31.7Very low40.4Very low138 Ų138147.6 Ų147.674%0.73877%0.768SS**  trans22.7119.7143.9-46.8-27.9000117.6
489Q34.6Very low39.9Very low171 Ų171149.7 Ų149.780%0.79977%0.774SS**  -158.1151.879.5-160.6672.100113
490Y32.4Very low39.3Very low183 Ų183153.5 Ų153.572%0.71878%0.779SS**  trans-132134.2165.2-153.9-111.6000107.9S492Y490-S492 WeakPolarHBondContact CE1-OG 3.26Å; Y490-S492 VanDerWaalsContact CZ-OG 3.25Å; Y490-S492 WeakPolarHBondContact OH-CB 3.14Å; Y490-S492 PolarHBondContact OH-OG 3.18Å
491P45Very low39.2Very low118 Ų118149.5 Ų149.577%0.76677%0.774SS**  -143.8139.8100.736.4-21.4000114.9
492S35.8Very low38.9Very low64 Ų64148 Ų14845%0.44877%0.767SS.*  trans-96-171.9154.374.50000108.7Y490Y490-S492 WeakPolarHBondContact CE1-OG 3.26Å; Y490-S492 VanDerWaalsContact CZ-OG 3.25Å; Y490-S492 WeakPolarHBondContact OH-CB 3.14Å; Y490-S492 PolarHBondContact OH-OG 3.18Å
493P50.4Low38.8Very low94 Ų94149.9 Ų149.961%0.6177%0.767SS**  cis-136.4163.3-6.336.7-20000115.5
494K35.3Very low38.8Very low177 Ų177147.9 Ų147.977%0.7777%0.766SS**  175.9144.4117.6-94.7149.3-168.8165.70114.7
495R40.6Very low39.5Very low221 Ų221148 Ų14883%0.83477%0.766SS**  trans66.379.1155-66.9177.8-179.3131.7-1.1118.9
496C36.5Very low39.2Very low115 Ų115149.6 Ų149.678%0.77776%0.761SS**  43.4114.5118.1-50.60000119.7
497F31.7Very low39.2Very low215 Ų215149.5 Ų149.594%0.94376%0.755SS**  trans-160.3135.9131.4-102.2-66.6000111.1
498S37.1Very low39.4Very low123 Ų123155 Ų15586%0.8676%0.761SS**  trans63150174.8-139.30000117.1
499S41.6Very low39.7Very low103 Ų103154.3 Ų154.372%0.7276%0.762SS**  cis-115.5130.2-6.853.10000111
500Y36.4Very low39.6Very low226 Ų226151.4 Ų151.489%0.88676%0.76SS**  trans-83.1139.3159.2-132.4-96.4000107.3D502Y500-D502 PolarHBondContact O-N 3.42Å; Y500-D502 VanDerWaalsContact O-N 3.08Å
501D46.5Very low40.1Very low154 Ų154152.5 Ų152.582%0.82477%0.769SS**  trans-68.6103.4170.6-77.4-61.1000109.6
502D39.6Very low40.2Very low137 Ų137152.2 Ų152.273%0.73377%0.767SS**  trans-110.8111.3176-161.39.7000112.8Y500Y500-D502 PolarHBondContact O-N 3.42Å; Y500-D502 VanDerWaalsContact O-N 3.08Å
503M48Very low40.2Very low135 Ų135155.9 Ų155.967%0.66578%0.781SS**  trans6.7122.5157.9-60.8-64.9100.100119.1
504N39.3Very low39.2Very low152 Ų152158.1 Ų158.181%0.81379%0.785SS**  trans-122.547.4148.9-96-78.9000113.5K506N504-K506 VanDerWaalsContact C-N 3.34Å; N504-K506 PolarHBondContact O-N 2.85Å
505L52.3Low39Very low161 Ų161158.9 Ų158.984%0.84378%0.783SS**  trans-72.984.2164.8-157.984.2000109.9
506K39.7Very low38.8Very low155 Ų155152.6 Ų152.667%0.67477%0.773SS**  trans-156.7119.5-178.8-117.2157.8-171.5163.50115.7N504N504-K506 VanDerWaalsContact C-N 3.34Å; N504-K506 PolarHBondContact O-N 2.85Å
507R36.5Very low38.7Very low199 Ų199156.5 Ų156.575%0.75178%0.777SS**  trans72.3154.2156.3-65.7173.9-70.8-165.3-0.9115.3
508R37.5Very low38.8Very low214 Ų214150.8 Ų150.881%0.80876%0.764SS**  cis-148.3163.14.3-136168.5-174.2177-0.9112.8
509T35.9Very low38.7Very low123 Ų123151.6 Ų151.676%0.75576%0.757SS**  trans-43.9143.7164.951.40000116.4
510S34.4Very low38.4Very low110 Ų110154.3 Ų154.377%0.76976%0.759SS**  -171138.1118.549.20000113.4
511F43.1Very low38.1Very low207 Ų207150.1 Ų150.191%0.90875%0.751SS**  trans-93.4145145.6-76.1-86000106.9
512P46.8Very low37.6Very low112 Ų112149 Ų14973%0.72775%0.75SS**  -137.4160.697.337-23.5000111.9
513L34.3Very low37.2Very low140 Ų140146 Ų14673%0.73375%0.752SS**  cis76.984.631.8-150.8-176.8000114
514M29.7Very low36.5Very low141 Ų141147.7 Ų147.770%0.69576%0.755SS**  trans-160138.9152.5-100.6-51.198.500114.7
515R31.6Very low36.4Very low193 Ų193147 Ų14773%0.72875%0.747SS**  trans27.6128.1142.5-73178.6136.368.30.8120.3
516S36.3Very low35.7Very low89 Ų89145.5 Ų145.562%0.62275%0.745SS**  cis88.1151.239.482.20000115.8
517K34.4Very low35.3Very low197 Ų197144.9 Ų144.986%0.85775%0.749SS**  trans83.5150.1-176.9-56.2-175.5173.9-171.30112.4
518S33.9Very low35.7Very low95 Ų95140 Ų14066%0.66474%0.743SS**  cis-147.4143.719.555.60000115.5
519L35.1Very low35.5Very low140 Ų140136.1 Ų136.173%0.73374%0.738SS**  trans67.9125.8153-60164.8000116.1
520Q34.3Very low35.5Very low161 Ų161138.4 Ų138.475%0.75275%0.746SS**  71.8137.661-69.2-176.37.700112.7
521L31.9Very low35.6Very low137 Ų137139.9 Ų139.972%0.71774%0.744SS**  cis-133.3170.515.4-73.785.4000113.9
522T34.3Very low35.1Very low130 Ų130139.1 Ų139.180%0.79874%0.737SS**  trans20135.214658.70000120.9
523G31.2Very low34.6Very low76 Ų76141.8 Ų141.878%0.78474%0.743SS**  cis112.3124.6-4.200000115.7
524K34.1Very low34.6Very low169 Ų169140.4 Ų140.474%0.73574%0.74SS**  trans-163.5153.2158.6-125.3-178.5165.5-74.50109.7
525E36.9Very low34.9Very low138 Ų138141.2 Ų141.265%0.64574%0.742SS**  trans29.7111.7171.9-74.888.3-12200118.5
526V37.4Very low35.1Very low130 Ų130137.9 Ų137.979%0.78875%0.745SS**  cis65.59845.2-168.30000110.8
527D32.3Very low34.7Very low142 Ų142140.3 Ų140.376%0.75975%0.751SS**  72.4142.273.5-160.359.4000111.2
528P45.3Very low34.7Very low96 Ų96139.5 Ų139.562%0.62375%0.747SS**  cis-140.2177.825.340.2-19.6000119.5
529N33.3Very low34.4Very low132 Ų132145.4 Ų145.471%0.70676%0.762SS**  trans101.665.3161.2-55.7-55.4000118.5
530D34.5Very low34.2Very low172 Ų172144 Ų14492%0.9276%0.764SS**  trans-127.3111.6143.1-134.8-20.3000108.8
531L37.4Very low35.2Very low141 Ų141141.6 Ų141.674%0.73876%0.762SS**  trans-107.3120.6-161.6-12985.9000113.4
532Y32.7Very low35.1Very low191 Ų191141.9 Ų141.975%0.74976%0.759SS**  trans67.294.3146.2-109.4-86.7000119.5V534Y532-V534 HydrophobicContact CD1-CG2 3.77Å; Y532-V534 HydrophobicContact CE1-CG2 4.36Å
533I35.1Very low35.1Very low168 Ų168143.8 Ų143.886%0.86276%0.757SS**PPolyproline II helixtrans-78.6124145.7-63.1172.8000107.9
534V35Very low35.5Very low110 Ų110149.9 Ų149.967%0.66776%0.762SS**PPolyproline II helixtrans-91.5120.3174.3178.70000110.7Y532Y532-V534 HydrophobicContact CD1-CG2 3.77Å; Y532-V534 HydrophobicContact CE1-CG2 4.36Å
535E35.2Very low35.6Very low158 Ų158152 Ų15274%0.73877%0.771SS**PPolyproline II helixtrans-72.1126.7173.3-174.6-171.9172.700112L537E535-L537 PolarHBondContact O-N 2.8Å
536P35.9Very low35.9Very low123 Ų123155.2 Ų155.280%0.79978%0.783SS**  trans-85.9103.1177.3-8.426.5000113.1K538P536-K538 PolarHBondContact O-N 3.23Å
537L29.4Very low35.7Very low140 Ų140161.2 Ų161.273%0.73379%0.791SS**  trans-83.6107.4177.4-154.881.6000113.1E535E535-L537 PolarHBondContact O-N 2.8Å
538K34Very low35.6Very low180 Ų180159.6 Ų159.678%0.78379%0.79SS**  trans20.9124.9153-57177.2-176.41750119.9P536P536-K538 PolarHBondContact O-N 3.23Å
539F27.8Very low35.1Very low220 Ų220162.9 Ų162.997%0.96579%0.794SS**  trans-153.1142.1140.4-96.4-66.7000113.8
540S30.2Very low35Very low111 Ų111165.7 Ų165.778%0.77680%0.796SS**  trans-175.9155.5172-171.90000108.1
541P55.3Low34.8Very low110 Ų110165.6 Ų165.671%0.71479%0.787SS**  cis-122.6179.1-3.634.3-16.2000114
542E30.7Very low34.6Very low142 Ų142167.3 Ų167.366%0.66480%0.796SS**  150.3141.7126.1-79.7-137.9107.800117.6
543K33.1Very low34.5Very low171 Ų171164.1 Ų164.174%0.74379%0.788SS**  trans66.1119.7145-72.8165.5-179.9143.60122.4
544K39.5Very low34.4Very low204 Ų204163.9 Ų163.989%0.88778%0.78SS**  trans-46.3140170.3-51.4166.4-178.8176.20115.5
545K37.8Very low34.4Very low214 Ų214166.8 Ų166.893%0.9379%0.79SS**  trans-166.3162.7130.1-109.9162.9-172.3176.20114.1
546K43Very low34.4Very low205 Ų205166.9 Ų166.989%0.89179%0.791SS**  trans-81140.4-173.6-46.3171.8-178.5-179.20112.4
547R33Very low34.2Very low256 Ų256166.9 Ų166.997%0.96679%0.789SS**  trans-160.2168.1134.5-148.3164.2-179.9170.4-0.8110.9
548C30.6Very low34.8Very low108 Ų108167.9 Ų167.973%0.7379%0.793SS**  trans-135.7165.7-172.1178.70000110.4
549K34.4Very low34.7Very low164 Ų164168 Ų16871%0.71379%0.794SS**  trans84.9145.3178.1-51.4-166.5178.2-170.90113.9
550Y31.5Very low35.1Very low191 Ų191162.7 Ų162.775%0.74978%0.781SS**  cis-138.5152.428.3-82.6-86.2000117.5
551K30.2Very low34.8Very low170 Ų170166.2 Ų166.274%0.73979%0.785SS**  trans43.8119.8144.1-69.5171.5175.2-168.70120.9
552I31.6Very low33.7Very low177 Ų177169.7 Ų169.791%0.90879%0.792SS**  -107.4164.4121.8-88.6174.7000107.8
553E31.8Very low34.6Very low125 Ų125167.2 Ų167.258%0.58479%0.788SS**  trans-121.2144.4-157.3-176.4165.7154.400113.9
554K32.7Very low34.4Very low162 Ų162165.7 Ų165.770%0.70479%0.787SS**  trans47.2110.9164.7-70.9164.2-175.5149.90118.9
555I34.6Very low34.1Very low171 Ų171164 Ų16488%0.87778%0.783SS**  trans-124126.6135.4-63.8177.2000106.7
556E36.4Very low34.9Very low161 Ų161158.6 Ų158.675%0.75277%0.769SS**  trans-91.4156.2172.3-66.2178.6145.300109.4
557T31.3Very low34.4Very low123 Ų123156.4 Ų156.476%0.75577%0.766SS**  cis-159.7142.9-21-90.10000105.6
558I42Very low34.3Very low160 Ų160147.9 Ų147.982%0.82175%0.75SS**  trans-121.5134.3172.6-57175.3000109.2
559K30.4Very low34.6Very low183 Ų183150.5 Ų150.580%0.79676%0.756SS**  trans-149.6131.5149.7-142.9-169.5174.6-138.70111.5
560P36.3Very low34.5Very low109 Ų109146.3 Ų146.371%0.70876%0.76SS**  trans-103.7168.9179.139.6-34.8000113.1
561E24.1Very low34.5Very low184 Ų184144.6 Ų144.686%0.8676%0.764SS**  trans-149.2155.9162.9-110.7160.6-147.600110.8
562E32.2Very low35.1Very low183 Ų183143.3 Ų143.386%0.85576%0.764SS**  trans-152.7169.9-172.6-121.5-165.5127.800106.9
563P51Low35.3Very low90 Ų90145.1 Ų145.158%0.58477%0.765SS**  cis-141.8-1597.731.4-4.8000115.2
564L27.6Very low35.3Very low139 Ų139142.5 Ų142.573%0.72877%0.771SS**  trans79.7143.7164.2-43179.5000116.6
565H33Very low35.4Very low170 Ų170145.1 Ų145.179%0.78778%0.777SS**  cis-157.3-173.5-12-119.4-20.2000110.5
566P55.7Low35.4Very low99 Ų99145.3 Ų145.364%0.64377%0.772SS**  trans-122.2-157.4-146.742.2-24.4000116.4
567I32Very low36.2Very low160 Ų160142.1 Ų142.182%0.82177%0.765SS**  trans93.5137.6172.8-59.7150.4000112.8
568A31.6Very low36.1Very low77 Ų77145.8 Ų145.864%0.63677%0.77SS**  cis-142.9157.423.700000116.9
569N35.8Very low35.6Very low162 Ų162143.1 Ų143.187%0.86676%0.762SS**  trans31145.2135.7-47-11.1000120.9
570G33.8Very low35.6Very low77 Ų77141.1 Ų141.179%0.79476%0.76SS**  cis156.8172.56.600000109.4
571D31.4Very low35.3Very low154 Ų154143.5 Ų143.582%0.82476%0.762SS**  cis-155.9-179.7-2.9-170.324000111.1
572I41.3Very low35.8Very low144 Ų144144.1 Ų144.174%0.73876%0.756SS**  trans-87.8152.8-163.1-69.2155.8000116
573K36.2Very low35.7Very low214 Ų214140.5 Ų140.593%0.9374%0.742SS**  trans-165.9151.4147.7-107.5166.2-173.7176.20111.6
574G32Very low34.7Very low70 Ų70144.5 Ų144.572%0.72275%0.751SS**  cis170.842.5-200000119.1
575R34.6Very low35Very low217 Ų217142.4 Ų142.482%0.81975%0.748SS**  trans43.3119162.6-88.8-167.8169.4-145.62.9122.6
576K33.9Very low34.8Very low176 Ų176141.6 Ų141.677%0.76575%0.75SS**  65.9174.1128.3-70.5-162.6171.4-161.80120
577P53.1Low33.7Very low93 Ų93145 Ų14560%0.60476%0.759SS**  -141.8145.9-58.440.7-23.8000116.6
578F29.4Very low33.6Very low200 Ų200140.8 Ų140.888%0.87776%0.755SS**  trans-155.5160.6160.1-66.2-73.9000109.7
579T32.9Very low33.7Very low104 Ų104145.2 Ų145.264%0.63876%0.763SS**  cis132.3134.1-30.861.50000115.3
580N29.4Very low33.6Very low142 Ų142144.1 Ų144.176%0.75976%0.762SS**  trans76.1127.4-174.4-50.5-70.5000114.3
581Q30.8Very low33.6Very low159 Ų159148.9 Ų148.974%0.74376%0.757SS**  cis98.4137.117.9-162.4-164.366.500114.4
582R33.9Very low33.7Very low196 Ų196150.6 Ų150.674%0.7476%0.759SS**  trans89.2140174.4-61-163.1-107.5147.5-0.9116.5
583D30Very low33.2Very low107 Ų107148.5 Ų148.557%0.57276%0.758SS**  cis-164.2160.4-7.7-108.4-15.5000114.6
584F29.3Very low33.1Very low174 Ų174144.2 Ų144.276%0.76376%0.755SS**  trans61107.5150.4-65.6-51000125.1
585S34.1Very low33.1Very low96 Ų96151.9 Ų151.967%0.67176%0.763SS**  100.7123.3111.3-65.50000123.3
586N29.2Very low33.2Very low153 Ų153151.2 Ų151.282%0.81877%0.767SS**  trans62.2146.4150-79-11.9000119.7
587M32Very low33.1Very low170 Ų170145.9 Ų145.984%0.83776%0.761SS**  cis-154.81570.2-136.5-1758900110.4
588G31Very low32.8Very low72 Ų72147.4 Ų147.474%0.74277%0.771SS**  trans96.4128.9158.400000116.7
589E32.7Very low33.4Very low169 Ų169143.6 Ų143.679%0.7977%0.767SS**  trans-87.8159.3172.4-62.1159.1103.300111.6
590V34Very low33.4Very low140 Ų140144.3 Ų144.385%0.84878%0.776SS**  -166.1143.7119.4144.70000107.6
591Y34Very low33.9Very low176 Ų176145.8 Ų145.869%0.6978%0.779SS**  trans-76.2145.1-177.4-77.7-108.5000112.4
592H33.8Very low33.9Very low190 Ų190141.5 Ų141.588%0.8878%0.777SS**  -168.9130.9106.7-98.4-69000110.8
593S30.8Very low33.8Very low100 Ų100137.3 Ų137.370%0.69978%0.778SS**  trans-111134.8172.4-1790000109.5
594S33.9Very low34.3Very low125 Ų125137.6 Ų137.687%0.87479%0.788SS**  trans-154.1100.6160.9-91.50000108.7
595Y31.9Very low34.6Very low230 Ų230138.1 Ų138.190%0.90279%0.793SS**PPolyproline II helixtrans-86.6151.1175.2-125.5-96.5000111
596K37.4Very low34.5Very low203 Ų203139.3 Ų139.388%0.88380%0.796SS**PPolyproline II helixtrans-61.5133.7-168-65.3175.5175.9179.90114.8
597G31.4Very low34.7Very low64 Ų64137 Ų13766%0.6679%0.792SS**PPolyproline II helixtrans-91.2161.8138.600000111
598P46.6Very low35Very low125 Ų125133.8 Ų133.881%0.81279%0.787SS**PPolyproline II helixtrans-79.7161.5-175.832.8-35.6000113.7
599P42.2Very low35.2Very low120 Ų120139.3 Ų139.378%0.77979%0.793SS**PPolyproline II helixtrans-82.1154.4-176.134.2-36000113.3
600S32.1Very low35.2Very low120 Ų120136.1 Ų136.184%0.83979%0.79SS**PPolyproline II helixtrans-97.5122.4153.4-167.40000108.8
601E40.2Very low35.8Very low173 Ų173137.8 Ų137.881%0.80879%0.788SS**PPolyproline II helixtrans-68.3154.8157.2-62.6168.2152.100106.9
602G32Very low36Very low69 Ų69137.2 Ų137.271%0.71179%0.792SS**  cis88.7121.336.900000108.5
603S31.5Very low36.4Very low107 Ų107133.5 Ų133.575%0.74879%0.787SS**  cis-150.8146.55-68.70000107.5
604S40.1Very low36.7Very low113 Ų113138.6 Ų138.679%0.7979%0.792SS**  5092.372.654.70000117.3
605E35.9Very low36.5Very low185 Ų185141.8 Ų141.886%0.86479%0.791SS**  trans-149.3141.5157.7-80.1-155.4104.900107
606T32.6Very low36.8Very low121 Ų121135.6 Ų135.674%0.74278%0.78SS**  cis-150.5157.3-9.528.90000108.9
607S32.8Very low36.9Very low105 Ų105128.9 Ų128.973%0.73477%0.768SS**  trans-71.7167.7163.459.60000110.8
608S37.3Very low37.4Very low103 Ų103131.5 Ų131.572%0.7277%0.766SS**  cis-163.2175.542.9-47.80000108.3
609Q36.4Very low37.1Very low187 Ų187131.1 Ų131.187%0.87477%0.766SS**  cis-135.1169.115.6-60.3164.7-29.500107.2
610S31.6Very low37.1Very low103 Ų103128.9 Ų128.972%0.7276%0.758SS**  cis-136.7151.832.453.80000111
611E48.2Very low37.6Very low174 Ų174128.2 Ų128.281%0.81375%0.752SS**  40.992.188.3-66.5178.6-142.300114.2
612E36.9Very low37.9Very low165 Ų165126 Ų12677%0.77175%0.751SS**  trans-164.4136.2139.9-140.968.6-91.900108.3Y614E612-Y614 HydrophobicContact CG-CD2 4.33Å; E612-Y614 HydrophobicContact CG-CE2 3.75Å
613S42.1Very low38.4Very low111 Ų111127.8 Ų127.878%0.77675%0.752SS**  trans-122.5101.1-168.166.20000114.5
614Y37.9Very low38.9Very low208 Ų208130.4 Ų130.482%0.81676%0.757SS**  trans-119.6103.9178.7-72.5-78.2000114E612E612-Y614 HydrophobicContact CG-CD2 4.33Å; E612-Y614 HydrophobicContact CG-CE2 3.75Å
615F29.9Very low39Very low191 Ų191131.1 Ų131.184%0.83876%0.76SS**  trans24.399.6142-159.7-99.9000118.9G617F615-G617 PolarHBondContact O-N 3.16Å
616C37.2Very low39Very low101 Ų101130.3 Ų130.368%0.68276%0.762SS**  trans-82.4101.5167-174.90000111I618C616-I618 VanDerWaalsContact C-N 3.33Å; C616-I618 PolarHBondContact O-N 3.04Å; C616-I618 VanDerWaalsContact O-N 3.15Å
617G41.2Very low38.9Very low61 Ų61127.6 Ų127.663%0.62976%0.758SS**  trans-83.949.9-177.800000115.5F615F615-G617 PolarHBondContact O-N 3.16Å
618I39.8Very low38.7Very low119 Ų119131.3 Ų131.361%0.6176%0.763SS**  trans-124.6127.9-179.9-53.9-179.7000111.3C616 A620C616-I618 VanDerWaalsContact C-N 3.33Å; C616-I618 PolarHBondContact O-N 3.04Å; C616-I618 VanDerWaalsContact O-N 3.15Å; I618-A620 HydrophobicContact CG2-CB 4.3Å; I618-A620 PolarHBondContact O-N 2.71Å; I618-A620 VanDerWaalsContact O-N 3.07Å
619S40.7Very low38.4Very low117 Ų117131.1 Ų131.182%0.81876%0.762SS**THydrogen-bonded Turntrans-759.5-169.449.60000116.3
620A43.8Very low38.3Very low73 Ų73130.2 Ų130.260%0.60376%0.758SS**THydrogen-bonded Turntrans-91.8-8.6-171.300000115.4I618 T622I618-A620 HydrophobicContact CG2-CB 4.3Å; I618-A620 PolarHBondContact O-N 2.71Å; I618-A620 VanDerWaalsContact O-N 3.07Å; A620-T622 PolarHBondContact O-N 3.26Å
621C42.1Very low38.4Very low107 Ų107135.2 Ų135.272%0.72377%0.767SS**  trans-82.138-170.9-63.80000114.9
622T45.5Very low37.9Very low127 Ų127132.6 Ų132.678%0.77976%0.763SS**  trans-100.2-1.2-163.648.10000116.5A620A620-T622 PolarHBondContact O-N 3.26Å
623S41.9Very low37.9Very low105 Ų105134.6 Ų134.673%0.73477%0.769SS**SBendtrans-114.8-12-170.561.70000117.3
624L42.1Very low37.6Very low163 Ų163135.3 Ų135.385%0.85377%0.769SS**SBendtrans-117.9-3.1-170.6-71177.3000116.5
625C42.2Very low37.3Very low128 Ų128132.1 Ų132.187%0.86576%0.761SS**  trans-113.889.4177.7-720000111.3
626N36.1Very low37.7Very low168 Ų168130.3 Ų130.390%0.89875%0.753SS**  trans-121.9122.9176.9-168.66.3000111.6
627G31.2Very low37.6Very low63 Ų63137.6 Ų137.665%0.64977%0.766SS**  trans92.8130.9178.400000114.9
628Q28.6Very low37.1Very low183 Ų183139.6 Ų139.686%0.85578%0.777SS**  cis-156.4123.2-8-171.6158.7-68.500113.8
629S31Very low36.8Very low100 Ų100141 Ų14170%0.69978%0.784SS**  trans39.2128.3156.370.80000122.1
630Q34.6Very low36.6Very low168 Ų168144.9 Ų144.979%0.78579%0.787SS**  trans-48.3156.2160.5-57.7173.4-16.800114.5
631K32.9Very low36.2Very low208 Ų208151.7 Ų151.790%0.90480%0.797SS**  trans-136.4120.5134.8-73.9-166.7177.4173.40111.4
632T38.3Very low35.9Very low118 Ų118156.9 Ų156.972%0.72480%0.801SS**  trans-78.3139.2167.947.70000110.3
633K35.9Very low35.3Very low207 Ų207161.1 Ų161.190%0.980%0.803SS**  trans-162.7123143.9-116.7167.2-173.6177.90115.3
634T37.3Very low34.7Very low127 Ų127160.5 Ų160.578%0.77980%0.798SS**  trans-43.4154.2166.8-19.30000116.5
635E31.1Very low34.2Very low141 Ų141162 Ų16266%0.65980%0.798SS**  trans91.2151.8136.2-116-161.1129.700123
636K37.6Very low33.7Very low153 Ų153162.5 Ų162.567%0.66580%0.797SS**  trans75.272.7155.4-68.2171.4173.3105.80120.3
637R34.8Very low33.4Very low254 Ų254163.5 Ų163.596%0.95880%0.796SS**  20107.2111.1-172.5-167.9-135.4171.17116.4
638A30.8Very low33.5Very low102 Ų102167.2 Ų167.284%0.84380%0.801SS**  trans-141.3133163.200000111.6
639L34.3Very low33.7Very low148 Ų148166.6 Ų166.678%0.77580%0.798SS**  trans-135.7108.2-172.5-175.3145.6000112.1
640K36.3Very low33.7Very low199 Ų199165.1 Ų165.187%0.86580%0.798SS**  trans-172.7118.8162-101.8153.8-177.5177.50107.5
641R35.3Very low33.7Very low216 Ų216166.1 Ų166.182%0.81580%0.8SS**  62.691.166.1-69.3-174.8172.1180-0.7114.3
642R36.1Very low33.7Very low216 Ų216163.3 Ų163.382%0.81579%0.794SS**  153.8144.799-100-179.6167.6-176.2-2.8114.9
643R32.9Very low33.5Very low216 Ų216164.4 Ų164.482%0.81579%0.794SS**  trans69164.9148.8-75.9-171.9172.3-176.4-3.7119
644S30.4Very low33.3Very low92 Ų92163.8 Ų163.864%0.64379%0.792SS**  cis174119.3-49.354.40000111.3
645K31Very low32.9Very low196 Ų196164 Ų16485%0.85279%0.793SS**  trans170135.7153.9-99.9174.1176.6-171.50105.7
646V30.4Very low32.9Very low137 Ų137164.8 Ų164.883%0.8380%0.801SS**  cis67.89843.9-175.10000112.7
647Q31.6Very low32.9Very low190 Ų190164.2 Ų164.289%0.88880%0.804SS**  trans-138.2140.3143.8-175.2165.1-16.300107.8
648D33.1Very low32.8Very low140 Ų140161.2 Ų161.275%0.74980%0.801SS**  trans-137171.5-17917735.6000108.3
649Q31.6Very low32.9Very low171 Ų171161.9 Ų161.980%0.79979%0.794SS**  trans76.4130.9-169.5-48.6-171.920.100115
650G30.9Very low32.9Very low68 Ų68164.6 Ų164.670%0.70180%0.8SS**  cis154.6173.8-13.500000114.9
651K35.3Very low32.7Very low190 Ų190161.4 Ų161.483%0.82680%0.802SS**  trans66.3105.4159-68.2-178.5178.8176.70118.7
652L33Very low32.7Very low149 Ų149154.2 Ų154.278%0.7880%0.795SS**  156.8133106-84.7144.4000113.5
653I34.6Very low32.6Very low141 Ų141149.4 Ų149.472%0.72380%0.795SS**  trans48.5119.8140.9-60.7174.6000116.9
654K30.2Very low33Very low194 Ų194146.9 Ų146.984%0.84380%0.797SS**  -159.1156.764.8-149.1157.2-172.1177.70114.5
655T30.3Very low33.8Very low132 Ų132147 Ų14781%0.8180%0.796SS**  trans-72.6138178.149.20000113.8
656L30.2Very low34.6Very low157 Ų157141.2 Ų141.282%0.82278%0.78SS**  trans-154.5137.9154.5-166.357.5000112.7
657I37.1Very low35.3Very low141 Ų141141 Ų14172%0.72377%0.773SS**  trans57.1110.6168.9-66.8160000118.3
658Q32.6Very low36.1Very low191 Ų191138.8 Ų138.889%0.89376%0.763SS**  trans-98.7107.7168.6164.6-159.8-4.400109.1
659T34.3Very low36.8Very low116 Ų116137.4 Ų137.471%0.71276%0.755SS**  trans-155.297.3158.941.50000113.2S661T659-S661 PolarHBondContact O-N 3.46Å
660K33.8Very low38Very low204 Ų204134.9 Ų134.989%0.88775%0.746SS**  trans33.182.5136.4-164.2-178.1-177.8-176.60117.5G662K660-G662 VanDerWaalsContact C-N 3.34Å; K660-G662 PolarHBondContact O-N 2.8Å
661S33.3Very low38.9Very low132 Ų132137.4 Ų137.492%0.92374%0.742SS**  trans-68.987.3162.6-52.60000110.8T659T659-S661 PolarHBondContact O-N 3.46Å
662G33.6Very low39.7Very low65 Ų65137.6 Ų137.667%0.6774%0.743SS**PPolyproline II helixtrans-78.8124.8167.800000110.2K660K660-G662 VanDerWaalsContact C-N 3.34Å; K660-G662 PolarHBondContact O-N 2.8Å
663S34.5Very low40.3Very low115 Ų115132.9 Ų132.980%0.80473%0.731SS**PPolyproline II helixtrans-64.6141.3171.4500000110.8
664L41.4Very low40.6Very low164 Ų164133.2 Ų133.286%0.85973%0.734SS**PPolyproline II helixtrans-57.3137.5166.9-69.7165000109.5
665P47.8Very low41.6Very low95 Ų95132.8 Ų132.862%0.61773%0.732SS**PPolyproline II helixtrans-66.4147.317529.1-34.3000110.2
666S48Very low42.4Very low74 Ų74135.1 Ų135.152%0.51773%0.734SS.*PPolyproline II helixtrans-71.2146.1174.6-175.20000109.9H668 D669S666-H668 PolarHBondContact O-N 3.08Å; S666-D669 PolarHBondContact O-N 3.23Å
667L44.3Very low43Very low133 Ų133135.8 Ų135.870%0.69674%0.736SS**Hα-helixtrans-56.1-21.6177-169.4144.2000112.3D669 I671L667-D669 VanDerWaalsContact C-N 3.34Å; L667-D669 PolarHBondContact O-N 2.9Å; L667-I671 HydrophobicContact CD2-CD1 3.86Å
668H47.8Very low42.8Very low143 Ų143135.1 Ų135.166%0.66274%0.739SS**Hα-helixtrans-69.3-23.1177.7-139.5-48.2000115S666S666-H668 PolarHBondContact O-N 3.08Å
669D48.3Very low43.1Very low111 Ų111132.8 Ų132.859%0.59474%0.738SS**Hα-helixtrans-83.4-30.3-178-65.3-45000112.3S666 L667 K672S666-D669 PolarHBondContact O-N 3.23Å; L667-D669 VanDerWaalsContact C-N 3.34Å; L667-D669 PolarHBondContact O-N 2.9Å; D669-K672 PolarHBondContact O-N 3.43Å
670I56Low43.1Very low118 Ų118130.8 Ų130.861%0.60574%0.739SS**Hα-helixtrans-66.2-42179.1-60.5175.2000110.6K672 G673I670-K672 PolarHBondContact O-N 2.92Å; I670-K672 VanDerWaalsContact O-N 3.16Å; I670-G673 PolarHBondContact O-N 3.14Å
671I51.8Low43.1Very low120 Ų120127 Ų12762%0.61573%0.734SS**THydrogen-bonded Turntrans-65.2-21.1-176.1-63.9172.4000112.4L667L667-I671 HydrophobicContact CD2-CD1 3.86Å
672K51.7Low43.1Very low194 Ų194130.3 Ų130.384%0.84373%0.732SS**THydrogen-bonded Turntrans-97.40.2-177.9-140.6170.7-174.2175.90114D669 I670D669-K672 PolarHBondContact O-N 3.43Å; I670-K672 PolarHBondContact O-N 2.92Å; I670-K672 VanDerWaalsContact O-N 3.16Å
673G45.4Very low43.2Very low51 Ų51131 Ų13153%0.52674%0.739SS.*  trans-96.912-17000000117.1I670 K675I670-G673 PolarHBondContact O-N 3.14Å; G673-K675 VanDerWaalsContact C-N 3.29Å; G673-K675 PolarHBondContact O-N 3.47Å
674N41.3Very low43.4Very low147 Ų147132 Ų13279%0.78674%0.74SS**  trans-79.661-169-73.1-1.8000114.9
675K50.5Low43.1Very low185 Ų185130.8 Ų130.880%0.80474%0.739SS**SBendtrans-140.4128.1160.3-66.1-168.9179.2-175.50110.4G673G673-K675 VanDerWaalsContact C-N 3.29Å; G673-K675 PolarHBondContact O-N 3.47Å
676E48Very low42.5Very low182 Ų182130.6 Ų130.685%0.8575%0.746SS**  trans60.676.9167.7-63.3173.2-135.400117.3
677I42.6Very low42.2Very low171 Ų171134.4 Ų134.488%0.87777%0.766SS**  trans-122.7103.9149.4-58.2-178000108.5
678T32.9Very low41.8Very low126 Ų126133.7 Ų133.777%0.77377%0.772SS**  trans-82.5151.7-176.3-48.50000111.6G680T678-G680 PolarHBondContact O-N 3.37Å
679V38.7Very low41.2Very low143 Ų143130.2 Ų130.287%0.86778%0.775SS**  trans-55.8125.4179-179.50000111.6
680G33.8Very low40.5Very low73 Ų73133.2 Ų133.275%0.75379%0.785SS**  trans-131.8108.6-17800000113T678T678-G680 PolarHBondContact O-N 3.37Å
681T33.3Very low39.6Very low126 Ų126138.6 Ų138.677%0.77381%0.812SS**  trans-68.9156.2-168.6-43.70000115.4
682F34.8Very low39Very low200 Ų200139.6 Ų139.688%0.87782%0.822SS**  trans-19.4141168.3-71.3-99.5000118.8
683G33.8Very low38.3Very low79 Ų79136.7 Ų136.781%0.81482%0.821SS**  trans-144.6116159.200000111.9
684V40.4Very low37.9Very low138 Ų138141.4 Ų141.484%0.83684%0.838SS**  trans-107.9117.1179173.90000110.5
685T35.4Very low37.7Very low137 Ų137141.1 Ų141.184%0.8484%0.841SS**  trans-156.9158.6163.148.80000109.4
686A34.6Very low37Very low92 Ų92138.4 Ų138.476%0.7684%0.843SS**  cis-160.4146.8-34.200000107
687V40.6Very low36.2Very low153 Ų153135.5 Ų135.593%0.92784%0.842SS**  trans-73.4131.6175.6174.30000109.9
688S37Very low35.8Very low119 Ų119132.9 Ų132.983%0.83284%0.84SS**  trans-140.3106164.4-171.10000109.7
689G34.7Very low36Very low69 Ų69133.5 Ų133.571%0.71185%0.845SS**  trans-121.9144.1163.300000107.8
690H34.5Very low35.8Very low175 Ų175132.7 Ų132.781%0.8184%0.843SS**  trans-142.5131.8-174.9-158.564.4000110.9
691I36.3Very low35.9Very low231 Ų231138.1 Ų138.1100%1.18585%0.852SS**  trans710-173-49.5177.9000112.8

Retrieved 691 of 691 residues in 346.4 ms (Link to these results)