A0A096LXD0_POEFO Loading...

Ensconsin

AlphaFold DB , UniProt , Accession A0A096LXD0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 745 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
1M36.5Very low42.2Very low246 Ų246146 Ų146100%1.21286%0.856SS**  0134.60-67.6161.180.200106.9
2A40Very low42.4Very low95 Ų95143.3 Ų143.379%0.78585%0.846SS**  cis-151.9138.7-16.600000107.8
3E48Very low42.4Very low198 Ų198146.9 Ų146.993%0.92585%0.85SS**  trans-77.4150.8162.8-65.3-175.5133.400108.8
4Q43.1Very low41.9Very low197 Ų197144.1 Ų144.192%0.92184%0.843SS**  trans-138.7135163.3-113.2176.48.500109.9
5D48.1Very low41.9Very low175 Ų175147.2 Ų147.294%0.93685%0.846SS**  trans-73.4161.6-173.5-87.2-65.2000114.1
6G38.8Very low41.3Very low65 Ų65143.8 Ų143.867%0.6784%0.841SS**  trans120.3135.2164.300000113.4
7S36.1Very low40.9Very low113 Ų113142.3 Ų142.379%0.7984%0.84SS**  cis-153.4169.80.5-48.40000110.3T9S7-T9 PolarHBondContact O-N 2.86Å
8D44.4Very low40.2Very low161 Ų161146.1 Ų146.186%0.86184%0.839SS**  trans-47.7134.8167.9-83.8-68.6000113.1
9T39.3Very low39.8Very low133 Ų133144.2 Ų144.282%0.81684%0.835SS**  trans-146113.2154.91.40000109.2S7S7-T9 PolarHBondContact O-N 2.86Å
10S40.1Very low39.4Very low107 Ų107145.1 Ų145.175%0.74883%0.832SS**PPolyproline II helixtrans-72.5138.2173.4-63.70000109.9
11P49.7Very low38.9Very low116 Ų116148.1 Ų148.175%0.75383%0.831SS**PPolyproline II helixtrans-68.313917229.4-33.8000110.1
12P44.5Very low38.8Very low114 Ų114145.4 Ų145.474%0.7481%0.807SS**PPolyproline II helixtrans-71.7141.6179.228.9-34.4000112.1S14P12-S14 PolarHBondContact O-N 3.43Å
13E41.9Very low38.5Very low190 Ų190145.1 Ų145.189%0.88880%0.799SS**  trans-73.486.5170.9-70.7-171.1115.200111.1Q15E13-Q15 PolarHBondContact O-N 3.05Å
14S36.6Very low37.8Very low108 Ų108142.1 Ų142.176%0.75579%0.785SS**  trans-70.497.3168.5-67.90000110.7P12 A16P12-S14 PolarHBondContact O-N 3.43Å; S14-A16 PolarHBondContact O-N 3.03Å
15Q41.2Very low37.6Very low190 Ų190140.3 Ų140.389%0.88878%0.782SS**  trans-63.595.6168.2-70.6-173.5-500110.5E13E13-Q15 PolarHBondContact O-N 3.05Å
16A32.7Very low36.9Very low92 Ų92135.4 Ų135.476%0.7677%0.773SS**  trans-91.2103.5171.600000110S14 Y18S14-A16 PolarHBondContact O-N 3.03Å; A16-Y18 PolarHBondContact O-N 2.86Å
17S33.7Very low37.2Very low119 Ų119144.5 Ų144.583%0.83279%0.787SS**  trans-58.8117176.6-65.70000111.4S19S17-S19 PolarHBondContact O-N 2.78Å
18Y28Very low37Very low211 Ų211142.7 Ų142.783%0.82779%0.786SS**  trans-72.790.9176.1-174.8-99000110.3A16 Q20A16-Y18 PolarHBondContact O-N 2.86Å; Y18-Q20 PolarHBondContact O-N 3.32Å
19S32.8Very low36.8Very low109 Ų109140.9 Ų140.976%0.76279%0.785SS**  trans-64.1120.1172.5-1720000109.9S17 Y21S17-S19 PolarHBondContact O-N 2.78Å; S19-Y21 PolarHBondContact O-N 3.3Å
20Q32.7Very low36.6Very low163 Ų163140.2 Ų140.276%0.76279%0.787SS**  trans-85.294.8-170.3-174.7172.9-16.200110.6Y18 R22Y18-Q20 PolarHBondContact O-N 3.32Å; Q20-R22 PolarHBondContact O-N 2.94Å
21Y29.5Very low36.3Very low208 Ų208139.2 Ų139.282%0.81679%0.785SS**  trans-65.998.4179-153.2-85.9000111S19S19-Y21 PolarHBondContact O-N 3.3Å
22R32.8Very low35.8Very low189 Ų189140.1 Ų140.171%0.71379%0.794SS**  trans-80.8115.2166.1-98.9-136.1-174.3-167.41.8108.9Q20 E24Q20-R22 PolarHBondContact O-N 2.94Å; R22-E24 WeakPolarHBondContact CD-OE1 3.46Å; R22-E24 IonicContact CZ-OE1 2.89Å; R22-E24 IonicContact NE-OE1 2.67Å; R22-E24 IonicContact NH1-OE1 3.22Å; R22-E24 PolarHBondContact NH1-OE1 3.02Å; R22-E24 IonicContact NH1-OE2 3.37Å
23S34.9Very low35.1Very low89 Ų89138.6 Ų138.662%0.62280%0.799SS**  trans-85.1116.8158.7-60.20000108.6D25S23-D25 PolarHBondContact O-N 3.36Å
24E32Very low34.7Very low135 Ų135137.9 Ų137.963%0.63180%0.796SS**  trans-86.293.2175.1-69.6-64.8130.700110.3R22R22-E24 WeakPolarHBondContact CD-OE1 3.46Å; R22-E24 IonicContact CZ-OE1 2.89Å; R22-E24 IonicContact NE-OE1 2.67Å; R22-E24 IonicContact NH1-OE1 3.22Å; R22-E24 PolarHBondContact NH1-OE1 3.02Å; R22-E24 IonicContact NH1-OE2 3.37Å
25D40.7Very low34.5Very low160 Ų160138.4 Ų138.486%0.85679%0.794SS**  trans-110.294.5167.3-94.2-58.8000109.5S23S23-D25 PolarHBondContact O-N 3.36Å
26G33.2Very low34.2Very low71 Ų71140 Ų14073%0.73279%0.794SS**  trans-145.569.9-170.800000113.6G28G26-G28 PolarHBondContact O-N 3.32Å
27R43.8Very low34.5Very low257 Ų257141.2 Ų141.297%0.9780%0.797SS**  trans-69.1119.5171.8-69.1-177.6178.1-129.50.2110.5
28G31.8Very low35.5Very low74 Ų74141.3 Ų141.376%0.76379%0.794SS**  trans-129.2126.6172.400000112G26G26-G28 PolarHBondContact O-N 3.32Å
29S40.8Very low35.9Very low123 Ų123138.2 Ų138.286%0.8680%0.798SS**  trans-117.3110.4175.8-68.20000110.6
30S34.3Very low36Very low120 Ų120136.6 Ų136.684%0.83980%0.798SS**  trans-169.3130.7157.1-77.90000106.9
31A35.6Very low36.4Very low86 Ų86134.3 Ų134.371%0.71180%0.795SS**  cis103.3116.535.300000112.2
32S37.4Very low37Very low135 Ų135130.5 Ų130.594%0.94480%0.796SS**  trans65.2139.6172.670.60000119.1
33G31.9Very low37.6Very low82 Ų82128.4 Ų128.485%0.84580%0.797SS**  trans161.696.1176.400000114.4
34Q33.4Very low38.4Very low175 Ų175129.6 Ų129.682%0.81880%0.803SS**  trans-59.2128.4-170.2-82.1173.46.700119
35T32.2Very low39.5Very low118 Ų118128.6 Ų128.672%0.72481%0.808SS**  48.6115123.865.60000123.6
36Y33.6Very low40.3Very low225 Ų225126 Ų12688%0.88280%0.801SS**  -157142.9128.219.2-108.7000111.5
37S39.7Very low40.7Very low117 Ų117130.1 Ų130.182%0.81880%0.804SS**  trans-135.8156.6174.8-57.10000109.8
38P54.2Low40.9Very low121 Ų121123.6 Ų123.679%0.78680%0.795SS**  -139.6136.2123.932.2-17.6000115.4
39T36.5Very low41.5Very low146 Ų146127.7 Ų127.790%0.89680%0.799SS**  trans51.2119.1136.7-45.80000120.8
40G35.2Very low41.3Very low75 Ų75132.3 Ų132.377%0.77380%0.798SS**  trans176.332.2168.100000118.6
41T41.1Very low41.9Very low115 Ų115133.1 Ų133.171%0.70680%0.798SS**  trans-90.2144.4-178.1-21.80000112.5I43T41-I43 HydrophobicContact CG2-CD1 3.8Å; T41-I43 HydrophobicContact CG2-CG1 3.88Å
42P42.2Very low42.2Very low128 Ų128133.8 Ų133.883%0.83179%0.793SS**  -137.4155.8107.636.6-25.4000115.2
43I44.7Very low42.3Very low144 Ų144132 Ų13274%0.73878%0.78SS**  trans-132.2131.5179.3-71.2162000105.6T41T41-I43 HydrophobicContact CG2-CD1 3.8Å; T41-I43 HydrophobicContact CG2-CG1 3.88Å
44P51.9Low43.2Very low115 Ų115136.7 Ų136.775%0.74778%0.778SS**  -160.3-164.294.842.8-21.8000114.6
45P54.4Low43.8Very low113 Ų113134.8 Ų134.873%0.73477%0.773SS**  cis-124.1175.3-40.924.5-3.8000113.2
46P58.3Low44.4Very low107 Ų107135.6 Ų135.670%0.69578%0.778SS**  trans-95.9-174.2168.238.6-34.7000113.8
47I41.1Very low45Very low157 Ų157128.9 Ų128.981%0.80576%0.764SS**  trans81.8147.6170.4-56.6158.4000113.3
48P48.2Very low45.8Very low119 Ų119128.9 Ų128.977%0.77376%0.759SS**  cis-124.9178.76.822.12.5000117.3
49N43.8Very low45.8Very low161 Ų161133.2 Ų133.286%0.86176%0.762SS**  trans-56.1149.2161.4-62.1-31.7000112.7
50R37.6Very low46.5Very low219 Ų219129.4 Ų129.483%0.82675%0.745SS**  trans-133.5119162.3-167.1177.7-164.4-113.94.2112.4
51T45.9Very low47.1Very low137 Ų137128.3 Ų128.384%0.8473%0.728SS**  trans-88.4122.1175.9-27.60000110.9
52T42.1Very low47.7Very low101 Ų101126.9 Ų126.962%0.6272%0.719SS**  trans-140.998.1162.446.90000107.3
53S39.6Very low48.3Very low96 Ų96128.7 Ų128.767%0.67171%0.714SS**  66.698.977.8-175.30000113.6
54K51.6Low48.7Very low181 Ų181125.9 Ų125.979%0.78770%0.704SS**  53.2130.7129.1-61.6-174.6179.2178.80118.1
55N46.6Very low48.8Very low135 Ų135125.3 Ų125.372%0.72270%0.695SS**  cis-165.2176.812.1-95.9-17.2000111
56T44.7Very low49Very low135 Ų135123 Ų12383%0.82868%0.682SS**  trans91.3132.1148.2-42.90000119.6
57S46.4Very low49.1Very low85 Ų85122.9 Ų122.959%0.59467%0.674SS**  trans100.142.8161.3-144.70000119.7Y59S57-Y59 PolarHBondContact O-N 3.28Å
58T54.5Low50Low116 Ų116120.1 Ų120.171%0.71266%0.661SS**THydrogen-bonded Turntrans-71.919.7-179.7-20.50000116.4
59Y54.7Low50.6Low213 Ų213120.8 Ų120.884%0.83565%0.652SS**THydrogen-bonded Turntrans-123.9-7.9-174.7-71.2-75.7000115.5S57S57-Y59 PolarHBondContact O-N 3.28Å
60A50.8Low52Low66 Ų66117.9 Ų117.955%0.54564%0.636SS.*THydrogen-bonded Turntrans-98.9-46176.900000113T62 K63A60-T62 VanDerWaalsContact C-N 3.33Å; A60-T62 PolarHBondContact O-N 2.84Å; A60-K63 PolarHBondContact O-N 3.01Å
61A49.6Very low53.8Low51 Ų51113.4 Ų113.442%0.42162%0.623SS.*Hα-helixtrans-64.3-31.1-17200000114.4K63 T64 D65A61-K63 PolarHBondContact O-N 3.45Å; A61-T64 PolarHBondContact O-N 2.86Å; A61-T64 VanDerWaalsContact O-N 3.11Å; A61-T64 PolarHBondContact O-OG1 2.66Å; A61-D65 PolarHBondContact O-N 3.1Å
62T53Low55.4Low85 Ų85111.4 Ų111.452%0.52161%0.606SS.*Hα-helixtrans-62.1-27.7-176.952.50000113.4A60 S66A60-T62 VanDerWaalsContact C-N 3.33Å; A60-T62 PolarHBondContact O-N 2.84Å; T62-S66 VanDerWaalsContact O-CB 3.25Å; T62-S66 WeakPolarHBondContact O-CB 3.29Å; T62-S66 PolarHBondContact O-N 3.22Å
63K53.8Low57.5Low166 Ų166109.9 Ų109.972%0.72259%0.594SS**Hα-helixtrans-77.5-36176-67.5-174.2179.1-178.90112.5A60 A61 L67A60-K63 PolarHBondContact O-N 3.01Å; A61-K63 PolarHBondContact O-N 3.45Å; K63-L67 PolarHBondContact O-N 2.88Å
64T53.5Low59.7Low86 Ų86111 Ų11153%0.52859%0.589SS.*Hα-helixtrans-75.6-41.1177.6440000112.1A61 L67 L68A61-T64 PolarHBondContact O-N 2.86Å; A61-T64 VanDerWaalsContact O-N 3.11Å; A61-T64 PolarHBondContact O-OG1 2.66Å; T64-L67 PolarHBondContact O-N 2.93Å; T64-L68 PolarHBondContact O-N 2.99Å
65D54.4Low61.4Low103 Ų103111.9 Ų111.955%0.55159%0.587SS**Hα-helixtrans-65.1-41175.7-76.5-26.2000111.6A61 L67 L68 F69A61-D65 PolarHBondContact O-N 3.1Å; D65-L67 VanDerWaalsContact C-N 3.32Å; D65-L67 PolarHBondContact O-N 2.99Å; D65-L68 PolarHBondContact O-N 3.3Å; D65-F69 WeakPolarHBondContact O-CB 3.21Å; D65-F69 PolarHBondContact O-N 3.04Å
66S58.2Low63.4Low65 Ų65109.5 Ų109.546%0.45557%0.571SS.*Hα-helixtrans-59.1-41.7174.9-177.50000112.3T62 L68 F69 N70T62-S66 VanDerWaalsContact O-CB 3.25Å; T62-S66 WeakPolarHBondContact O-CB 3.29Å; T62-S66 PolarHBondContact O-N 3.22Å; S66-L68 PolarHBondContact O-N 3.32Å; S66-F69 PolarHBondContact O-N 2.92Å; S66-N70 PolarHBondContact O-N 2.98Å; S66-N70 VanDerWaalsContact O-N 3.09Å; S66-N70 PolarHBondContact O-ND2 3.24Å
67L60.4Low65.5Low104 Ų104111.9 Ų111.955%0.54557%0.565SS.*Hα-helixtrans-70.9-30.6178.9-135.9170.7000112.5K63 T64 D65 K71K63-L67 PolarHBondContact O-N 2.88Å; T64-L67 PolarHBondContact O-N 2.93Å; D65-L67 VanDerWaalsContact C-N 3.32Å; D65-L67 PolarHBondContact O-N 2.99Å; L67-K71 HydrophobicContact CD2-CD 4.3Å; L67-K71 WeakPolarHBondContact O-CG 3.26Å; L67-K71 PolarHBondContact O-N 2.95Å
68L61.4Low67.5Low99 Ų99112 Ų11252%0.51856%0.559SS.*Hα-helixtrans-73.5-42.2171.4-79.8166.6000112.2T64 D65 S66 N70 K71 I72T64-L68 PolarHBondContact O-N 2.99Å; D65-L68 PolarHBondContact O-N 3.3Å; S66-L68 PolarHBondContact O-N 3.32Å; L68-N70 PolarHBondContact O-N 3.37Å; L68-K71 PolarHBondContact O-N 3.44Å; L68-K71 VanDerWaalsContact O-N 3.16Å; L68-I72 VanDerWaalsContact O-CG1 3.31Å; L68-I72 WeakPolarHBondContact O-CG1 3.42Å; L68-I72 PolarHBondContact O-N 2.83Å
69F60.4Low69Low133 Ų133108.2 Ų108.258%0.58354%0.539SS*.Hα-helixtrans-59.4-48.3179-164.7-88.7000111.1D65 S66 K71 I72 D73D65-F69 WeakPolarHBondContact O-CB 3.21Å; D65-F69 PolarHBondContact O-N 3.04Å; S66-F69 PolarHBondContact O-N 2.92Å; F69-K71 VanDerWaalsContact C-N 3.32Å; F69-K71 PolarHBondContact O-N 3.4Å; F69-I72 PolarHBondContact O-N 2.79Å; F69-I72 VanDerWaalsContact O-N 3.08Å; F69-D73 WeakPolarHBondContact CE1-OD2 3.38Å; F69-D73 PolarHBondContact O-N 2.67Å
70N72.2Confident70.6Confident99 Ų99105.2 Ų105.253%0.52953%0.526SS..Hα-helixtrans-55.8-43.1174.2-80-77.9000112.5S66 L68 D73 E74S66-N70 PolarHBondContact O-N 2.98Å; S66-N70 VanDerWaalsContact O-N 3.09Å; S66-N70 PolarHBondContact O-ND2 3.24Å; L68-N70 PolarHBondContact O-N 3.37Å; N70-D73 PolarHBondContact O-N 2.9Å; N70-E74 WeakPolarHBondContact O-CB 3.49Å; N70-E74 PolarHBondContact O-N 3.21Å
71K76.2Confident72.4Confident126 Ų126106.9 Ų106.955%0.54852%0.523SS..Hα-helixtrans-69.3-31177.2-74175.6176.91800113.3L67 L68 F69 R75L67-K71 HydrophobicContact CD2-CD 4.3Å; L67-K71 WeakPolarHBondContact O-CG 3.26Å; L67-K71 PolarHBondContact O-N 2.95Å; L68-K71 PolarHBondContact O-N 3.44Å; L68-K71 VanDerWaalsContact O-N 3.16Å; F69-K71 VanDerWaalsContact C-N 3.32Å; F69-K71 PolarHBondContact O-N 3.4Å; K71-R75 VanDerWaalsContact O-CB 3.25Å; K71-R75 WeakPolarHBondContact O-CB 3.48Å; K71-R75 PolarHBondContact O-N 3.01Å
72I80.1Confident74.3Confident94 Ų94111 Ų11148%0.48253%0.528SS..Hα-helixtrans-71.5-43.1175.2-71.2163.5000110.2L68 F69 R75 Q76L68-I72 VanDerWaalsContact O-CG1 3.31Å; L68-I72 WeakPolarHBondContact O-CG1 3.42Å; L68-I72 PolarHBondContact O-N 2.83Å; F69-I72 PolarHBondContact O-N 2.79Å; F69-I72 VanDerWaalsContact O-N 3.08Å; I72-R75 PolarHBondContact O-N 3.47Å; I72-Q76 WeakPolarHBondContact O-CG 3.21Å; I72-Q76 PolarHBondContact O-N 2.81Å
73D85.4Confident75.7Confident70 Ų70114.9 Ų114.937%0.37453%0.533SS..Hα-helixtrans-65.8-40.9174.9-81.9-15.3000112.2F69 N70 Q76 R77F69-D73 WeakPolarHBondContact CE1-OD2 3.38Å; F69-D73 PolarHBondContact O-N 2.67Å; N70-D73 PolarHBondContact O-N 2.9Å; D73-Q76 CarbonylContact O-C 3.56Å; D73-Q76 WeakPolarHBondContact O-CB 3.31Å; D73-Q76 PolarHBondContact O-N 2.83Å; D73-R77 WeakPolarHBondContact O-CB 3.42Å; D73-R77 PolarHBondContact O-N 3.22Å
74E86.7Confident77.3Confident120 Ų120113 Ų11356%0.56153%0.527SS*.Hα-helixtrans-64.4-42174.3-172.8161.8-126.500111.7N70 Q76 R77 L78N70-E74 WeakPolarHBondContact O-CB 3.49Å; N70-E74 PolarHBondContact O-N 3.21Å; E74-Q76 VanDerWaalsContact C-N 3.31Å; E74-Q76 PolarHBondContact O-N 3.41Å; E74-R77 WeakPolarHBondContact O-CB 3.27Å; E74-R77 PolarHBondContact O-N 2.88Å; E74-L78 HydrophobicContact CG-CD1 4.36Å; E74-L78 WeakPolarHBondContact O-CB 3.15Å; E74-L78 WeakPolarHBondContact O-CG 3.49Å; E74-L78 PolarHBondContact O-N 3.42Å
75R86.1Confident79Confident198 Ų198114.1 Ų114.175%0.74753%0.526SS*.Hα-helixtrans-63.9-33.8172-175.5174.8178.5-89.64.2112.6K71 I72 A79K71-R75 VanDerWaalsContact O-CB 3.25Å; K71-R75 WeakPolarHBondContact O-CB 3.48Å; K71-R75 PolarHBondContact O-N 3.01Å; I72-R75 PolarHBondContact O-N 3.47Å; R75-A79 WeakPolarHBondContact O-CB 3.48Å; R75-A79 PolarHBondContact O-N 3.16Å
76Q88.2Confident80.4Confident85 Ų85116.4 Ų116.440%0.39753%0.527SS..Hα-helixtrans-68.9-42.2170.9-78.6-164.552.800111.8I72 D73 E74 A79 R80I72-Q76 WeakPolarHBondContact O-CG 3.21Å; I72-Q76 PolarHBondContact O-N 2.81Å; D73-Q76 CarbonylContact O-C 3.56Å; D73-Q76 WeakPolarHBondContact O-CB 3.31Å; D73-Q76 PolarHBondContact O-N 2.83Å; E74-Q76 VanDerWaalsContact C-N 3.31Å; E74-Q76 PolarHBondContact O-N 3.41Å; Q76-A79 CarbonylContact O-C 3.55Å; Q76-A79 WeakPolarHBondContact O-CA 3.42Å; Q76-A79 WeakPolarHBondContact O-CB 3.44Å; Q76-A79 PolarHBondContact O-N 3.46Å; Q76-R80 WeakPolarHBondContact O-CG 3.44Å; Q76-R80 PolarHBondContact O-N 3.29Å
77R88.7Confident82Confident186 Ų186119.2 Ų119.270%0.70253%0.532SS*.Hα-helixtrans-58.8-51.1176.9-173.7177.9179.4173.10.1110.6D73 E74 A79 R80 E81D73-R77 WeakPolarHBondContact O-CB 3.42Å; D73-R77 PolarHBondContact O-N 3.22Å; E74-R77 WeakPolarHBondContact O-CB 3.27Å; E74-R77 PolarHBondContact O-N 2.88Å; R77-A79 PolarHBondContact O-N 2.88Å; R77-A79 VanDerWaalsContact O-N 3.14Å; R77-R80 PolarHBondContact O-N 2.84Å; R77-E81 WeakPolarHBondContact O-CB 3.48Å; R77-E81 PolarHBondContact O-N 3.45Å
78L88.6Confident83.5Confident87 Ų87121.5 Ų121.546%0.45554%0.538SS..Hα-helixtrans-61.8-18.6173.4-68.2167.4000113.7E74 R82E74-L78 HydrophobicContact CG-CD1 4.36Å; E74-L78 WeakPolarHBondContact O-CB 3.15Å; E74-L78 WeakPolarHBondContact O-CG 3.49Å; E74-L78 PolarHBondContact O-N 3.42Å; L78-R82 WeakPolarHBondContact O-CG 3.49Å; L78-R82 PolarHBondContact O-NE 2.67Å; L78-R82 PolarHBondContact O-NH2 2.8Å
79A86.5Confident84.6Confident37 Ų37121.5 Ų121.531%0.30654%0.536SS..Hα-helixtrans-88.9-27.8173.100000113.2R75 Q76 R77 R83R75-A79 WeakPolarHBondContact O-CB 3.48Å; R75-A79 PolarHBondContact O-N 3.16Å; Q76-A79 CarbonylContact O-C 3.55Å; Q76-A79 WeakPolarHBondContact O-CA 3.42Å; Q76-A79 WeakPolarHBondContact O-CB 3.44Å; Q76-A79 PolarHBondContact O-N 3.46Å; R77-A79 PolarHBondContact O-N 2.88Å; R77-A79 VanDerWaalsContact O-N 3.14Å; A79-R83 WeakPolarHBondContact O-CG 3.47Å
80R88.9Confident85.8Confident149 Ų149119.6 Ų119.656%0.56253%0.531SS*.Hα-helixtrans-75.4-45.9170.9-65.1171.7-159.6-1768.2110.4Q76 R77 R82 R83 E84Q76-R80 WeakPolarHBondContact O-CG 3.44Å; Q76-R80 PolarHBondContact O-N 3.29Å; R77-R80 PolarHBondContact O-N 2.84Å; R80-R82 PolarHBondContact O-N 2.94Å; R80-R83 WeakPolarHBondContact O-CA 3.47Å; R80-R83 WeakPolarHBondContact O-CB 3.31Å; R80-R83 PolarHBondContact O-N 3.03Å; R80-E84 PolarHBondContact O-N 2.78Å
81E87.1Confident86.7Confident102 Ų102117.4 Ų117.448%0.47753%0.527SS..Hα-helixtrans-56.7-43.4176.6-176170.2-150.500112.3R77 R83 E84 E85R77-E81 WeakPolarHBondContact O-CB 3.48Å; R77-E81 PolarHBondContact O-N 3.45Å; E81-R83 PolarHBondContact O-N 3.4Å; E81-E84 PolarHBondContact O-N 3.31Å; E81-E85 WeakPolarHBondContact O-CB 3.43Å; E81-E85 PolarHBondContact O-N 3.17Å
82R91.3Very high87.3Confident137 Ų137114.3 Ų114.352%0.51753%0.525SS..Hα-helixtrans-73.1-4.4173.6-72.1179-64.1142.54.5114.8L78 R80 R86L78-R82 WeakPolarHBondContact O-CG 3.49Å; L78-R82 PolarHBondContact O-NE 2.67Å; L78-R82 PolarHBondContact O-NH2 2.8Å; R80-R82 PolarHBondContact O-N 2.94Å; R82-R86 WeakPolarHBondContact O-CG 3.43Å; R82-R86 PolarHBondContact O-NH1 3.18Å
83R82.2Confident87.8Confident167 Ų167115.8 Ų115.863%0.6353%0.528SS*.Hα-helixtrans-91.5-50.9164.5-68173.5-178.2173.70109.2A79 R80 E81 E85 R86 E87A79-R83 WeakPolarHBondContact O-CG 3.47Å; R80-R83 WeakPolarHBondContact O-CA 3.47Å; R80-R83 WeakPolarHBondContact O-CB 3.31Å; R80-R83 PolarHBondContact O-N 3.03Å; E81-R83 PolarHBondContact O-N 3.4Å; R83-E85 VanDerWaalsContact C-N 3.27Å; R83-E85 PolarHBondContact O-N 3.27Å; R83-R86 CarbonylContact O-C 3.6Å; R83-R86 WeakPolarHBondContact O-CA 3.26Å; R83-R86 WeakPolarHBondContact O-CB 3.37Å; R83-R86 PolarHBondContact O-N 2.95Å; R83-E87 WeakPolarHBondContact O-CG 3.46Å; R83-E87 PolarHBondContact O-N 2.72Å
84E87Confident87.7Confident127 Ų127117.8 Ų117.859%0.59354%0.535SS*.Hα-helixtrans-53.9-39.5175.8-170.1-178.916200112.4R80 E81 E87 K88R80-E84 PolarHBondContact O-N 2.78Å; E81-E84 PolarHBondContact O-N 3.31Å; E84-E87 CarbonylContact O-C 3.59Å; E84-E87 PolarHBondContact O-N 3.09Å; E84-K88 WeakPolarHBondContact O-CB 3.32Å; E84-K88 PolarHBondContact O-N 3.47Å
85E87.9Confident87.8Confident108 Ų108114.4 Ų114.451%0.50553%0.528SS..Hα-helixtrans-66.1-39.6175.5-173-175.1-158.400112.3E81 R83 K88 Q89E81-E85 WeakPolarHBondContact O-CB 3.43Å; E81-E85 PolarHBondContact O-N 3.17Å; R83-E85 VanDerWaalsContact C-N 3.27Å; R83-E85 PolarHBondContact O-N 3.27Å; E85-K88 PolarHBondContact O-N 3.07Å; E85-Q89 WeakPolarHBondContact O-CG 3.39Å; E85-Q89 PolarHBondContact O-N 2.77Å
86R85.7Confident87.9Confident152 Ų152110.3 Ų110.357%0.57452%0.517SS*.Hα-helixtrans-70.1-39.9175.1-69-179.4175.4106.9-11111.2R82 R83 K88 Q89 N90R82-R86 WeakPolarHBondContact O-CG 3.43Å; R82-R86 PolarHBondContact O-NH1 3.18Å; R83-R86 CarbonylContact O-C 3.6Å; R83-R86 WeakPolarHBondContact O-CA 3.26Å; R83-R86 WeakPolarHBondContact O-CB 3.37Å; R83-R86 PolarHBondContact O-N 2.95Å; R86-K88 VanDerWaalsContact C-N 3.32Å; R86-Q89 PolarHBondContact O-N 2.8Å; R86-N90 WeakPolarHBondContact O-CB 3.43Å; R86-N90 PolarHBondContact O-N 3.22Å; R86-N90 PolarHBondContact O-ND2 3.07Å
87E90.1Very high88Confident123 Ų123114.4 Ų114.458%0.57553%0.529SS*.Hα-helixtrans-63.2-39.6173.5-72.8161.5-159.600110.5R83 E84 N90 A91R83-E87 WeakPolarHBondContact O-CG 3.46Å; R83-E87 PolarHBondContact O-N 2.72Å; E84-E87 CarbonylContact O-C 3.59Å; E84-E87 PolarHBondContact O-N 3.09Å; E87-N90 CarbonylContact O-C 3.59Å; E87-N90 PolarHBondContact O-N 2.85Å; E87-A91 VanDerWaalsContact O-CB 3.27Å; E87-A91 WeakPolarHBondContact O-CB 3.32Å; E87-A91 PolarHBondContact O-N 2.81Å
88K91.9Very high87.7Confident152 Ų152110.3 Ų110.366%0.66152%0.518SS*.Hα-helixtrans-66.9-39.4173.2-172.5175.4-174.3174.50112.6E84 E85 R86 N90 A92E84-K88 WeakPolarHBondContact O-CB 3.32Å; E84-K88 PolarHBondContact O-N 3.47Å; E85-K88 PolarHBondContact O-N 3.07Å; R86-K88 VanDerWaalsContact C-N 3.32Å; K88-N90 VanDerWaalsContact C-N 3.32Å; K88-A92 VanDerWaalsContact O-CB 3.28Å; K88-A92 WeakPolarHBondContact O-CB 3.49Å; K88-A92 PolarHBondContact O-N 3.13Å
89Q84.4Confident87.7Confident100 Ų100108.3 Ų108.347%0.46751%0.513SS..Hα-helixtrans-66.4-33.6171.2-74.2-177.92200112.4E85 R86 K93E85-Q89 WeakPolarHBondContact O-CG 3.39Å; E85-Q89 PolarHBondContact O-N 2.77Å; R86-Q89 PolarHBondContact O-N 2.8Å; Q89-K93 WeakPolarHBondContact O-CD 3.33Å; Q89-K93 WeakPolarHBondContact O-CE 3.32Å; Q89-K93 VanDerWaalsContact O-CG 3.27Å; Q89-K93 WeakPolarHBondContact O-CG 3.4Å; Q89-K93 PolarHBondContact O-N 2.79Å
90N85.8Confident87.4Confident92 Ų92113.3 Ų113.349%0.49252%0.524SS..Hα-helixtrans-74.5-44.4175.6-70.1-16000111.2R86 E87 K88 A92 K93 E94R86-N90 WeakPolarHBondContact O-CB 3.43Å; R86-N90 PolarHBondContact O-N 3.22Å; R86-N90 PolarHBondContact O-ND2 3.07Å; E87-N90 CarbonylContact O-C 3.59Å; E87-N90 PolarHBondContact O-N 2.85Å; K88-N90 VanDerWaalsContact C-N 3.32Å; N90-A92 VanDerWaalsContact C-N 3.28Å; N90-A92 PolarHBondContact O-N 3.35Å; N90-K93 WeakPolarHBondContact O-CB 3.35Å; N90-K93 PolarHBondContact O-N 3.18Å; N90-K93 VanDerWaalsContact O-N 3.1Å; N90-K93 PolarHBondContact OD1-NZ 2.65Å; N90-E94 WeakPolarHBondContact O-CB 3.32Å; N90-E94 PolarHBondContact O-N 2.95Å
91A91.2Very high87.2Confident53 Ų53110.2 Ų110.244%0.43852%0.516SS..Hα-helixtrans-61.2-33.6172.900000112.3E87 E94 A95E87-A91 VanDerWaalsContact O-CB 3.27Å; E87-A91 WeakPolarHBondContact O-CB 3.32Å; E87-A91 PolarHBondContact O-N 2.81Å; A91-E94 PolarHBondContact O-N 2.86Å; A91-A95 WeakPolarHBondContact O-CB 3.44Å; A91-A95 PolarHBondContact O-N 2.76Å
92A90.2Very high87Confident61 Ų61110.5 Ų110.550%0.50452%0.517SS..Hα-helixtrans-67.3-38.7172.700000112.6K88 N90 Q96K88-A92 VanDerWaalsContact O-CB 3.28Å; K88-A92 WeakPolarHBondContact O-CB 3.49Å; K88-A92 PolarHBondContact O-N 3.13Å; N90-A92 VanDerWaalsContact C-N 3.28Å; N90-A92 PolarHBondContact O-N 3.35Å; A92-Q96 WeakPolarHBondContact O-CB 3.31Å; A92-Q96 PolarHBondContact O-N 3.27Å
93K90.1Very high86.5Confident126 Ų126111.5 Ų111.555%0.54852%0.521SS..Hα-helixtrans-68.5-40.7173.2-65.1160-162.1162.30111Q89 N90 Q96 W97Q89-K93 WeakPolarHBondContact O-CD 3.33Å; Q89-K93 WeakPolarHBondContact O-CE 3.32Å; Q89-K93 VanDerWaalsContact O-CG 3.27Å; Q89-K93 WeakPolarHBondContact O-CG 3.4Å; Q89-K93 PolarHBondContact O-N 2.79Å; N90-K93 WeakPolarHBondContact O-CB 3.35Å; N90-K93 PolarHBondContact O-N 3.18Å; N90-K93 VanDerWaalsContact O-N 3.1Å; N90-K93 PolarHBondContact OD1-NZ 2.65Å; K93-Q96 PolarHBondContact O-N 3.1Å; K93-W97 PolarHBondContact O-N 2.83Å
94E82.5Confident86.7Confident112 Ų112106.5 Ų106.552%0.52352%0.515SS..Hα-helixtrans-66.3-45.7177-161.2-173.3152.400111.3N90 A91 Q96 W97 Q98N90-E94 WeakPolarHBondContact O-CB 3.32Å; N90-E94 PolarHBondContact O-N 2.95Å; A91-E94 PolarHBondContact O-N 2.86Å; E94-Q96 VanDerWaalsContact C-N 3.31Å; E94-Q96 PolarHBondContact O-N 2.7Å; E94-W97 CarbonylContact O-C 3.55Å; E94-W97 WeakPolarHBondContact O-CA 3.27Å; E94-W97 WeakPolarHBondContact O-CB 3.16Å; E94-W97 PolarHBondContact O-N 3.5Å; E94-Q98 HydrophobicContact CG-CG 4.41Å; E94-Q98 WeakPolarHBondContact O-CB 3.38Å; E94-Q98 VanDerWaalsContact O-CG 3.31Å; E94-Q98 WeakPolarHBondContact O-CG 3.28Å; E94-Q98 PolarHBondContact O-N 3.4Å; E94-Q98 PolarHBondContact OE1-NE2 3.25Å
95A89.2Confident86.9Confident49 Ų49107.7 Ų107.741%0.40552%0.515SS..Hα-helixtrans-60.7-37.8173.400000112A91 W97 A99A91-A95 WeakPolarHBondContact O-CB 3.44Å; A91-A95 PolarHBondContact O-N 2.76Å; A95-W97 VanDerWaalsContact C-N 3.32Å; A95-W97 PolarHBondContact O-N 3.49Å; A95-A99 WeakPolarHBondContact O-CB 3.47Å; A95-A99 PolarHBondContact O-N 2.97Å
96Q88.1Confident86.7Confident112 Ų112107.3 Ų107.352%0.52351%0.513SS..Hα-helixtrans-64.8-36.3172.2-171.7-176.384.600112A92 K93 E94 R100A92-Q96 WeakPolarHBondContact O-CB 3.31Å; A92-Q96 PolarHBondContact O-N 3.27Å; K93-Q96 PolarHBondContact O-N 3.1Å; E94-Q96 VanDerWaalsContact C-N 3.31Å; E94-Q96 PolarHBondContact O-N 2.7Å; Q96-R100 WeakPolarHBondContact O-CG 3.32Å; Q96-R100 PolarHBondContact O-N 2.65Å; Q96-R100 VanDerWaalsContact OE1-NH2 3.09Å
97W90.9Very high86.4Confident171 Ų171105.5 Ų105.565%0.64851%0.51SS*.Hα-helixtrans-69-50174.5-179.2-96.9000111.9K93 E94 A95 A99 R100 E101K93-W97 PolarHBondContact O-N 2.83Å; E94-W97 CarbonylContact O-C 3.55Å; E94-W97 WeakPolarHBondContact O-CA 3.27Å; E94-W97 WeakPolarHBondContact O-CB 3.16Å; E94-W97 PolarHBondContact O-N 3.5Å; A95-W97 VanDerWaalsContact C-N 3.32Å; A95-W97 PolarHBondContact O-N 3.49Å; W97-A99 VanDerWaalsContact C-N 3.33Å; W97-A99 PolarHBondContact O-N 2.87Å; W97-R100 WeakPolarHBondContact O-CA 3.34Å; W97-R100 WeakPolarHBondContact O-CB 3.3Å; W97-R100 PolarHBondContact O-N 2.84Å; W97-E101 PolarHBondContact O-N 2.87Å
98Q81.6Confident86.1Confident100 Ų100106.6 Ų106.647%0.46751%0.511SS..Hα-helixtrans-56.5-44.7175.9-68.5174.7800110.9E94 R100 E101 E102E94-Q98 HydrophobicContact CG-CG 4.41Å; E94-Q98 WeakPolarHBondContact O-CB 3.38Å; E94-Q98 VanDerWaalsContact O-CG 3.31Å; E94-Q98 WeakPolarHBondContact O-CG 3.28Å; E94-Q98 PolarHBondContact O-N 3.4Å; E94-Q98 PolarHBondContact OE1-NE2 3.25Å; Q98-R100 VanDerWaalsContact C-N 3.26Å; Q98-R100 PolarHBondContact O-N 2.98Å; Q98-E101 PolarHBondContact O-N 2.79Å; Q98-E101 VanDerWaalsContact O-N 3.16Å; Q98-E102 WeakPolarHBondContact O-CB 3.25Å; Q98-E102 PolarHBondContact O-N 3.04Å
99A88.8Confident85.8Confident44 Ų44104.9 Ų104.936%0.36451%0.505SS..Hα-helixtrans-68.3-18.9176.300000114.2A95 W97 R103A95-A99 WeakPolarHBondContact O-CB 3.47Å; A95-A99 PolarHBondContact O-N 2.97Å; W97-A99 VanDerWaalsContact C-N 3.33Å; W97-A99 PolarHBondContact O-N 2.87Å; A99-R103 WeakPolarHBondContact O-CB 3.44Å; A99-R103 PolarHBondContact O-N 2.78Å; A99-R103 PolarHBondContact O-NH1 2.84Å
100R79.8Confident86.1Confident142 Ų142105.7 Ų105.754%0.53651%0.507SS..Hα-helixtrans-80.7-42.9168.3-73.8171.9-177.6170.26.6110.9Q96 W97 Q98 R103 A104Q96-R100 WeakPolarHBondContact O-CG 3.32Å; Q96-R100 PolarHBondContact O-N 2.65Å; Q96-R100 VanDerWaalsContact OE1-NH2 3.09Å; W97-R100 WeakPolarHBondContact O-CA 3.34Å; W97-R100 WeakPolarHBondContact O-CB 3.3Å; W97-R100 PolarHBondContact O-N 2.84Å; Q98-R100 VanDerWaalsContact C-N 3.26Å; Q98-R100 PolarHBondContact O-N 2.98Å; R100-R103 PolarHBondContact O-N 3.28Å; R100-A104 PolarHBondContact O-N 3.14Å; R100-A104 VanDerWaalsContact O-N 3.12Å
101E86.5Confident86.4Confident84 Ų84104.6 Ų104.639%0.39350%0.499SS..Hα-helixtrans-63.9-44.6176.5-160.2-165.9164.100111.5W97 Q98 R103 A104 R105W97-E101 PolarHBondContact O-N 2.87Å; Q98-E101 PolarHBondContact O-N 2.79Å; Q98-E101 VanDerWaalsContact O-N 3.16Å; E101-R103 PolarHBondContact O-N 3.49Å; E101-A104 WeakPolarHBondContact O-CB 3.47Å; E101-A104 PolarHBondContact O-N 3.06Å; E101-A104 VanDerWaalsContact O-N 3.1Å; E101-R105 WeakPolarHBondContact O-CG 3.42Å; E101-R105 PolarHBondContact O-N 3.43Å; E101-R105 IonicContact OE1-CZ 3.74Å; E101-R105 VanDerWaalsContact OE1-CZ 3.22Å; E101-R105 IonicContact OE1-NE 2.93Å; E101-R105 PolarHBondContact OE1-NE 3.32Å; E101-R105 IonicContact OE1-NH2 3.01Å; E101-R105 PolarHBondContact OE1-NH2 2.97Å; E101-R105 IonicContact OE2-NH2 2.66Å; E101-R105 PolarHBondContact OE2-NH2 3.17Å
102E81.6Confident86.3Confident108 Ų108105.2 Ų105.251%0.50549%0.494SS..Hα-helixtrans-60.6-46.6177.4-162.4-160.4152.700111.1Q98 A104 R105 Q106Q98-E102 WeakPolarHBondContact O-CB 3.25Å; Q98-E102 PolarHBondContact O-N 3.04Å; E102-A104 PolarHBondContact O-N 2.87Å; E102-R105 CarbonylContact O-C 3.54Å; E102-R105 WeakPolarHBondContact O-CB 3.48Å; E102-R105 PolarHBondContact O-N 2.81Å; E102-Q106 HydrophobicContact CG-CG 4.4Å; E102-Q106 WeakPolarHBondContact O-CB 3.34Å; E102-Q106 VanDerWaalsContact O-CG 3.3Å; E102-Q106 WeakPolarHBondContact O-CG 3.45Å; E102-Q106 PolarHBondContact O-N 2.98Å; E102-Q106 PolarHBondContact OE1-NE2 3.36Å
103R80.6Confident86.2Confident159 Ų159107.3 Ų107.360%0.649%0.494SS*.Hα-helixtrans-58.4-35.4174.5-175.7-177.7-73.292.7-2.7112.3A99 R100 E101 H107A99-R103 WeakPolarHBondContact O-CB 3.44Å; A99-R103 PolarHBondContact O-N 2.78Å; A99-R103 PolarHBondContact O-NH1 2.84Å; R100-R103 PolarHBondContact O-N 3.28Å; E101-R103 PolarHBondContact O-N 3.49Å; R103-H107 WeakPolarHBondContact O-CB 3.38Å; R103-H107 PolarHBondContact O-N 3.47Å; R103-H107 VanDerWaalsContact O-N 3.11Å
104A87Confident86.2Confident61 Ų61105.4 Ų105.450%0.50449%0.487SS..Hα-helixtrans-71.1-40.1174.200000112.5R100 E101 E102 H107 Y108R100-A104 PolarHBondContact O-N 3.14Å; R100-A104 VanDerWaalsContact O-N 3.12Å; E101-A104 WeakPolarHBondContact O-CB 3.47Å; E101-A104 PolarHBondContact O-N 3.06Å; E101-A104 VanDerWaalsContact O-N 3.1Å; E102-A104 PolarHBondContact O-N 2.87Å; A104-H107 PolarHBondContact O-N 3.15Å; A104-Y108 PolarHBondContact O-N 3.41Å; A104-Y108 VanDerWaalsContact O-N 3.09Å
105R91.8Very high86.1Confident153 Ų153106.4 Ų106.458%0.57749%0.486SS*.Hα-helixtrans-62.7-51173.9-68.5173.2-177.9-169.35.7111.2E101 E102 H107 Y108 E109E101-R105 WeakPolarHBondContact O-CG 3.42Å; E101-R105 PolarHBondContact O-N 3.43Å; E101-R105 IonicContact OE1-CZ 3.74Å; E101-R105 VanDerWaalsContact OE1-CZ 3.22Å; E101-R105 IonicContact OE1-NE 2.93Å; E101-R105 PolarHBondContact OE1-NE 3.32Å; E101-R105 IonicContact OE1-NH2 3.01Å; E101-R105 PolarHBondContact OE1-NH2 2.97Å; E101-R105 IonicContact OE2-NH2 2.66Å; E101-R105 PolarHBondContact OE2-NH2 3.17Å; E102-R105 CarbonylContact O-C 3.54Å; E102-R105 WeakPolarHBondContact O-CB 3.48Å; E102-R105 PolarHBondContact O-N 2.81Å; R105-H107 VanDerWaalsContact C-N 3.3Å; R105-H107 PolarHBondContact O-N 2.92Å; R105-Y108 PolarHBondContact O-N 2.87Å; R105-Y108 VanDerWaalsContact O-N 3.11Å; R105-E109 WeakPolarHBondContact O-CB 3.13Å; R105-E109 PolarHBondContact O-N 3.07Å
106Q82.6Confident85.7Confident99 Ų99110.5 Ų110.546%0.46350%0.495SS..Hα-helixtrans-54.4-42.5174.9-71.2173.94.600112E102 E109 K110E102-Q106 HydrophobicContact CG-CG 4.4Å; E102-Q106 WeakPolarHBondContact O-CB 3.34Å; E102-Q106 VanDerWaalsContact O-CG 3.3Å; E102-Q106 WeakPolarHBondContact O-CG 3.45Å; E102-Q106 PolarHBondContact O-N 2.98Å; E102-Q106 PolarHBondContact OE1-NE2 3.36Å; Q106-E109 PolarHBondContact O-N 3.3Å; Q106-K110 VanDerWaalsContact O-CB 3.27Å; Q106-K110 WeakPolarHBondContact O-CB 3.42Å; Q106-K110 PolarHBondContact O-N 3.49Å
107H80.6Confident85.8Confident114 Ų114112.4 Ų112.453%0.52850%0.501SS..Hα-helixtrans-65.9-41.2176.9175.7-114000112.6R103 A104 R105 Q111R103-H107 WeakPolarHBondContact O-CB 3.38Å; R103-H107 PolarHBondContact O-N 3.47Å; R103-H107 VanDerWaalsContact O-N 3.11Å; A104-H107 PolarHBondContact O-N 3.15Å; R105-H107 VanDerWaalsContact C-N 3.3Å; R105-H107 PolarHBondContact O-N 2.92Å; H107-Q111 PolarHBondContact CE1-NE2 2.94Å; H107-Q111 VanDerWaalsContact CE1-NE2 3.27Å; H107-Q111 PolarHBondContact NE2-NE2 2.79Å; H107-Q111 WeakPolarHBondContact O-CG 3.25Å; H107-Q111 PolarHBondContact O-N 2.79Å; H107-Q111 VanDerWaalsContact O-N 3.12Å
108Y82.4Confident85.8Confident147 Ų147110.1 Ų110.158%0.57650%0.495SS*.Hα-helixtrans-66.6-41.4175175.8-102.6000112.3A104 R105 Q111 L112A104-Y108 PolarHBondContact O-N 3.41Å; A104-Y108 VanDerWaalsContact O-N 3.09Å; R105-Y108 PolarHBondContact O-N 2.87Å; R105-Y108 VanDerWaalsContact O-N 3.11Å; Y108-Q111 PolarHBondContact O-N 3.26Å; Y108-L112 HydrophobicContact CD1-CD1 4.21Å; Y108-L112 HydrophobicContact CE1-CD1 3.57Å; Y108-L112 HydrophobicContact CE1-CG 4.32Å; Y108-L112 PolarHBondContact O-N 3.14Å; Y108-L112 VanDerWaalsContact O-N 3.14Å
109E86.4Confident85.9Confident115 Ų115110.5 Ų110.554%0.53750%0.5SS..Hα-helixtrans-61.4-50.9175.8-177.9149.7-123.800111.3R105 Q106 Q111 L112 E113R105-E109 WeakPolarHBondContact O-CB 3.13Å; R105-E109 PolarHBondContact O-N 3.07Å; Q106-E109 PolarHBondContact O-N 3.3Å; E109-Q111 VanDerWaalsContact C-N 3.25Å; E109-Q111 PolarHBondContact O-N 3.49Å; E109-L112 CarbonylContact O-C 3.6Å; E109-L112 WeakPolarHBondContact O-CA 3.47Å; E109-L112 WeakPolarHBondContact O-CB 3.36Å; E109-L112 PolarHBondContact O-N 3.31Å; E109-E113 WeakPolarHBondContact O-CG 3.44Å; E109-E113 PolarHBondContact O-N 2.81Å
110K89.8Confident85.7Confident117 Ų117113.8 Ų113.851%0.50951%0.508SS..Hα-helixtrans-54.5-39.4173.7-175.1177.7179.2-178.70112.4Q106 L112 E113 E114Q106-K110 VanDerWaalsContact O-CB 3.27Å; Q106-K110 WeakPolarHBondContact O-CB 3.42Å; Q106-K110 PolarHBondContact O-N 3.49Å; K110-L112 VanDerWaalsContact C-N 3.31Å; K110-L112 PolarHBondContact O-N 2.93Å; K110-E113 PolarHBondContact O-N 3.24Å; K110-E114 VanDerWaalsContact CE-OE1 3.28Å; K110-E114 WeakPolarHBondContact CE-OE1 3.45Å; K110-E114 WeakPolarHBondContact O-CB 3Å; K110-E114 WeakPolarHBondContact O-CG 3.41Å; K110-E114 PolarHBondContact O-N 3.26Å
111Q92Very high86.2Confident69 Ų69112.3 Ų112.332%0.32251%0.507SS..Hα-helixtrans-67.3-26.8173.8-75.5-162.42000114H107 Y108 E109 R115H107-Q111 PolarHBondContact CE1-NE2 2.94Å; H107-Q111 VanDerWaalsContact CE1-NE2 3.27Å; H107-Q111 PolarHBondContact NE2-NE2 2.79Å; H107-Q111 WeakPolarHBondContact O-CG 3.25Å; H107-Q111 PolarHBondContact O-N 2.79Å; H107-Q111 VanDerWaalsContact O-N 3.12Å; Y108-Q111 PolarHBondContact O-N 3.26Å; E109-Q111 VanDerWaalsContact C-N 3.25Å; E109-Q111 PolarHBondContact O-N 3.49Å; Q111-R115 VanDerWaalsContact O-CD 3.24Å; Q111-R115 WeakPolarHBondContact O-CD 3.23Å; Q111-R115 WeakPolarHBondContact O-CG 3.48Å; Q111-R115 PolarHBondContact O-NH1 3.28Å
112L89.6Confident86.2Confident67 Ų67114.5 Ų114.535%0.35152%0.517SS..Hα-helixtrans-77.6-39.6170.9-67.4176.7000111.1Y108 E109 K110 R115 K116Y108-L112 HydrophobicContact CD1-CD1 4.21Å; Y108-L112 HydrophobicContact CE1-CD1 3.57Å; Y108-L112 HydrophobicContact CE1-CG 4.32Å; Y108-L112 PolarHBondContact O-N 3.14Å; Y108-L112 VanDerWaalsContact O-N 3.14Å; E109-L112 CarbonylContact O-C 3.6Å; E109-L112 WeakPolarHBondContact O-CA 3.47Å; E109-L112 WeakPolarHBondContact O-CB 3.36Å; E109-L112 PolarHBondContact O-N 3.31Å; K110-L112 VanDerWaalsContact C-N 3.31Å; K110-L112 PolarHBondContact O-N 2.93Å; L112-R115 PolarHBondContact O-N 3.42Å; L112-K116 WeakPolarHBondContact O-CG 3.46Å; L112-K116 PolarHBondContact O-N 2.86Å
113E88.1Confident86.8Confident104 Ų104118.2 Ų118.249%0.48653%0.527SS..Hα-helixtrans-62.8-46.8175.3-67.1-175.7145.300112.5E109 K110 R115 K116 K117E109-E113 WeakPolarHBondContact O-CG 3.44Å; E109-E113 PolarHBondContact O-N 2.81Å; K110-E113 PolarHBondContact O-N 3.24Å; E113-R115 PolarHBondContact O-N 3.34Å; E113-K116 CarbonylContact O-C 3.58Å; E113-K116 WeakPolarHBondContact O-CB 3.37Å; E113-K116 PolarHBondContact O-N 2.77Å; E113-K116 VanDerWaalsContact O-N 3.09Å; E113-K117 VanDerWaalsContact O-CB 3.29Å; E113-K117 WeakPolarHBondContact O-CB 3.34Å; E113-K117 PolarHBondContact O-N 3.33Å
114E89.6Confident87.1Confident87 Ų87114 Ų11441%0.40752%0.515SS..Hα-helixtrans-60.4-32.3175.2-75.3-176.5-157.800112.4K110 K118K110-E114 VanDerWaalsContact CE-OE1 3.28Å; K110-E114 WeakPolarHBondContact CE-OE1 3.45Å; K110-E114 WeakPolarHBondContact O-CB 3Å; K110-E114 WeakPolarHBondContact O-CG 3.41Å; K110-E114 PolarHBondContact O-N 3.26Å; E114-K118 WeakPolarHBondContact O-CB 3.22Å; E114-K118 WeakPolarHBondContact O-CD 3.38Å; E114-K118 VanDerWaalsContact O-CG 3.25Å; E114-K118 WeakPolarHBondContact O-CG 3.31Å; E114-K118 PolarHBondContact O-N 2.77Å; E114-K118 VanDerWaalsContact O-N 3.17Å
115R80.6Confident87.4Confident132 Ų132116.9 Ų116.950%0.49852%0.517SS..Hα-helixtrans-72.8-40.3173.6-70.3170-170124.65.2111.9Q111 L112 E113 L119Q111-R115 VanDerWaalsContact O-CD 3.24Å; Q111-R115 WeakPolarHBondContact O-CD 3.23Å; Q111-R115 WeakPolarHBondContact O-CG 3.48Å; Q111-R115 PolarHBondContact O-NH1 3.28Å; L112-R115 PolarHBondContact O-N 3.42Å; E113-R115 PolarHBondContact O-N 3.34Å; R115-L119 PolarHBondContact O-N 3.25Å
116K81.7Confident87.2Confident136 Ų136114.2 Ų114.259%0.59151%0.511SS*.Hα-helixtrans-62-52.9172.5-69.7170.1-174.4171.90110.6L112 E113 K118 L119 E120L112-K116 WeakPolarHBondContact O-CG 3.46Å; L112-K116 PolarHBondContact O-N 2.86Å; E113-K116 CarbonylContact O-C 3.58Å; E113-K116 WeakPolarHBondContact O-CB 3.37Å; E113-K116 PolarHBondContact O-N 2.77Å; E113-K116 VanDerWaalsContact O-N 3.09Å; K116-K118 VanDerWaalsContact C-N 3.29Å; K116-K118 PolarHBondContact O-N 2.88Å; K116-L119 WeakPolarHBondContact O-CA 3.23Å; K116-L119 WeakPolarHBondContact O-CB 3.27Å; K116-L119 PolarHBondContact O-N 2.89Å; K116-E120 PolarHBondContact O-N 2.8Å
117K89.8Confident87.5Confident152 Ų152115 Ų11566%0.66151%0.514SS*.Hα-helixtrans-56.7-38.7-178.7-172.3170.3-176.7170.90112.3E113 L119 E120 E121E113-K117 VanDerWaalsContact O-CB 3.29Å; E113-K117 WeakPolarHBondContact O-CB 3.34Å; E113-K117 PolarHBondContact O-N 3.33Å; K117-L119 VanDerWaalsContact C-N 3.34Å; K117-L119 PolarHBondContact O-N 3.47Å; K117-E120 PolarHBondContact O-N 2.81Å; K117-E121 VanDerWaalsContact O-CB 3.29Å; K117-E121 WeakPolarHBondContact O-CB 3.16Å; K117-E121 PolarHBondContact O-N 2.8Å
118K90.8Very high87.8Confident122 Ų122116.7 Ų116.753%0.5352%0.52SS..Hα-helixtrans-67.1-29.2174.5-76.4166.4-177.7160.90113.8E114 K116 Q122E114-K118 WeakPolarHBondContact O-CB 3.22Å; E114-K118 WeakPolarHBondContact O-CD 3.38Å; E114-K118 VanDerWaalsContact O-CG 3.25Å; E114-K118 WeakPolarHBondContact O-CG 3.31Å; E114-K118 PolarHBondContact O-N 2.77Å; E114-K118 VanDerWaalsContact O-N 3.17Å; K116-K118 VanDerWaalsContact C-N 3.29Å; K116-K118 PolarHBondContact O-N 2.88Å; K118-Q122 VanDerWaalsContact O-CG 3.31Å; K118-Q122 WeakPolarHBondContact O-CG 3.41Å; K118-Q122 PolarHBondContact O-N 2.87Å
119L84.1Confident88.3Confident109 Ų109118 Ų11857%0.57152%0.524SS*.Hα-helixtrans-81-34.9173.2-66.7171.1000111.9R115 K116 K117 Q122 R123R115-L119 PolarHBondContact O-N 3.25Å; K116-L119 WeakPolarHBondContact O-CA 3.23Å; K116-L119 WeakPolarHBondContact O-CB 3.27Å; K116-L119 PolarHBondContact O-N 2.89Å; K117-L119 VanDerWaalsContact C-N 3.34Å; K117-L119 PolarHBondContact O-N 3.47Å; L119-Q122 WeakPolarHBondContact O-CB 3.34Å; L119-Q122 PolarHBondContact O-N 3.46Å; L119-R123 WeakPolarHBondContact O-CG 3.4Å; L119-R123 PolarHBondContact O-N 2.72Å
120E83.9Confident88.4Confident112 Ų112120.2 Ų120.252%0.52353%0.528SS..Hα-helixtrans-69-42.9175.5-174.5162.6-111.800112K116 K117 Q122 R123 I124K116-E120 PolarHBondContact O-N 2.8Å; K117-E120 PolarHBondContact O-N 2.81Å; E120-Q122 VanDerWaalsContact C-N 3.27Å; E120-Q122 PolarHBondContact O-N 3.19Å; E120-R123 WeakPolarHBondContact O-CB 3.43Å; E120-R123 PolarHBondContact O-N 2.92Å; E120-I124 HydrophobicContact CG-CD1 3.96Å; E120-I124 WeakPolarHBondContact O-CG1 3.3Å; E120-I124 PolarHBondContact O-N 3.39Å
121E90.7Very high88.4Confident111 Ų111118.6 Ų118.652%0.51953%0.527SS..Hα-helixtrans-58.1-39.8171.2-168.5-163.214900111.2K117 I124 K125K117-E121 VanDerWaalsContact O-CB 3.29Å; K117-E121 WeakPolarHBondContact O-CB 3.16Å; K117-E121 PolarHBondContact O-N 2.8Å; E121-I124 PolarHBondContact O-N 3.32Å; E121-K125 WeakPolarHBondContact O-CB 3.24Å; E121-K125 PolarHBondContact O-N 3.43Å
122Q87.6Confident88.4Confident130 Ų130117.6 Ų117.661%0.60753%0.53SS*.Hα-helixtrans-63.5-41.9173.8-75.1175.31700112.2K118 L119 E120 K125 E126K118-Q122 VanDerWaalsContact O-CG 3.31Å; K118-Q122 WeakPolarHBondContact O-CG 3.41Å; K118-Q122 PolarHBondContact O-N 2.87Å; L119-Q122 WeakPolarHBondContact O-CB 3.34Å; L119-Q122 PolarHBondContact O-N 3.46Å; E120-Q122 VanDerWaalsContact C-N 3.27Å; E120-Q122 PolarHBondContact O-N 3.19Å; Q122-K125 PolarHBondContact O-N 2.88Å; Q122-E126 PolarHBondContact O-N 3.33Å
123R94.2Very high88.7Confident187 Ų187119.4 Ų119.471%0.70654%0.544SS*.Hα-helixtrans-62.1-51.4174.2-72.5174.1173.2-172.6-3.7111.6L119 E120 K125 E126 E127L119-R123 WeakPolarHBondContact O-CG 3.4Å; L119-R123 PolarHBondContact O-N 2.72Å; E120-R123 WeakPolarHBondContact O-CB 3.43Å; E120-R123 PolarHBondContact O-N 2.92Å; R123-K125 PolarHBondContact O-N 3.28Å; R123-E126 CarbonylContact O-C 3.58Å; R123-E126 PolarHBondContact O-N 3.3Å; R123-E127 WeakPolarHBondContact O-CB 3.32Å; R123-E127 PolarHBondContact O-N 2.81Å
124I85.7Confident88.9Confident69 Ų69120.7 Ų120.735%0.35455%0.55SS.*Hα-helixtrans-59.5-35.2177.9-66.9166.1000110.9E120 E121 K128E120-I124 HydrophobicContact CG-CD1 3.96Å; E120-I124 WeakPolarHBondContact O-CG1 3.3Å; E120-I124 PolarHBondContact O-N 3.39Å; E121-I124 PolarHBondContact O-N 3.32Å; I124-K128 HydrophobicContact CG2-CD 4.08Å; I124-K128 HydrophobicContact CG2-CG 4.46Å; I124-K128 WeakPolarHBondContact O-CB 3.49Å; I124-K128 VanDerWaalsContact O-CG 3.26Å; I124-K128 WeakPolarHBondContact O-CG 3.29Å; I124-K128 PolarHBondContact O-N 2.91Å
125K93.3Very high89Confident123 Ų123121.3 Ų121.354%0.53555%0.553SS.*Hα-helixtrans-74.7-28.1177.2-165.5168.4-165.2161.30113.2E121 Q122 R123 R129E121-K125 WeakPolarHBondContact O-CB 3.24Å; E121-K125 PolarHBondContact O-N 3.43Å; Q122-K125 PolarHBondContact O-N 2.88Å; R123-K125 PolarHBondContact O-N 3.28Å; K125-R129 WeakPolarHBondContact O-CD 3.35Å; K125-R129 WeakPolarHBondContact O-CG 3.49Å
126E87.3Confident89.6Confident97 Ų97121.4 Ų121.445%0.45356%0.557SS.*Hα-helixtrans-75.8-43.4168.4-161.3-164.9143.100111.2Q122 R123 R129 R130Q122-E126 PolarHBondContact O-N 3.33Å; R123-E126 CarbonylContact O-C 3.58Å; R123-E126 PolarHBondContact O-N 3.3Å; E126-R129 CarbonylContact O-C 3.56Å; E126-R129 WeakPolarHBondContact O-CA 3.4Å; E126-R129 WeakPolarHBondContact O-CB 3.31Å; E126-R129 PolarHBondContact O-N 3.41Å; E126-R130 WeakPolarHBondContact O-CG 3.37Å; E126-R130 PolarHBondContact O-N 3.22Å; E126-R130 IonicContact OE1-CZ 2.86Å; E126-R130 IonicContact OE1-NE 3.24Å; E126-R130 PolarHBondContact OE1-NE 2.85Å; E126-R130 IonicContact OE1-NH2 2.95Å; E126-R130 PolarHBondContact OE1-NH2 3.13Å
127E89.2Confident89.9Confident115 Ų115122.8 Ų122.854%0.53756%0.559SS.*Hα-helixtrans-59.4-48.3177.1-177.2169.9-12000111.7R123 R129 R130 V131R123-E127 WeakPolarHBondContact O-CB 3.32Å; R123-E127 PolarHBondContact O-N 2.81Å; E127-R129 PolarHBondContact O-N 2.87Å; E127-R129 VanDerWaalsContact O-N 3.17Å; E127-R130 CarbonylContact O-C 3.53Å; E127-R130 WeakPolarHBondContact O-CA 3.26Å; E127-R130 WeakPolarHBondContact O-CB 3.29Å; E127-R130 PolarHBondContact O-N 2.99Å; E127-V131 HydrophobicContact CG-CG2 4.35Å; E127-V131 WeakPolarHBondContact O-CG2 3.4Å; E127-V131 PolarHBondContact O-N 3.25Å
128K88.2Confident89.9Confident149 Ų149122.9 Ų122.965%0.64856%0.555SS**Hα-helixtrans-56.9-31.3172.7-75.5175.2178.7-176.60113I124 A132I124-K128 HydrophobicContact CG2-CD 4.08Å; I124-K128 HydrophobicContact CG2-CG 4.46Å; I124-K128 WeakPolarHBondContact O-CB 3.49Å; I124-K128 VanDerWaalsContact O-CG 3.26Å; I124-K128 WeakPolarHBondContact O-CG 3.29Å; I124-K128 PolarHBondContact O-N 2.91Å; K128-A132 VanDerWaalsContact O-CB 3.31Å; K128-A132 WeakPolarHBondContact O-CB 3.37Å; K128-A132 PolarHBondContact O-N 2.96Å; K128-A132 VanDerWaalsContact O-N 3.1Å
129R91Very high90Very high176 Ų176119.7 Ų119.766%0.66454%0.542SS*.Hα-helixtrans-74.3-41172.6-70.2166.9168-176.6-5.6112.1K125 E126 E127 V133K125-R129 WeakPolarHBondContact O-CD 3.35Å; K125-R129 WeakPolarHBondContact O-CG 3.49Å; E126-R129 CarbonylContact O-C 3.56Å; E126-R129 WeakPolarHBondContact O-CA 3.4Å; E126-R129 WeakPolarHBondContact O-CB 3.31Å; E126-R129 PolarHBondContact O-N 3.41Å; E127-R129 PolarHBondContact O-N 2.87Å; E127-R129 VanDerWaalsContact O-N 3.17Å; R129-V133 VanDerWaalsContact O-CG2 3.32Å; R129-V133 WeakPolarHBondContact O-CG2 3.33Å; R129-V133 PolarHBondContact O-N 3.17Å; R129-V133 VanDerWaalsContact O-N 3.09Å
130R88.8Confident90.5Very high161 Ų161120.6 Ų120.661%0.60854%0.541SS*.Hα-helixtrans-61.7-49.5175.1-68.7173176.5-141.54.9110.7E126 E127 A132 V133 E134E126-R130 WeakPolarHBondContact O-CG 3.37Å; E126-R130 PolarHBondContact O-N 3.22Å; E126-R130 IonicContact OE1-CZ 2.86Å; E126-R130 IonicContact OE1-NE 3.24Å; E126-R130 PolarHBondContact OE1-NE 2.85Å; E126-R130 IonicContact OE1-NH2 2.95Å; E126-R130 PolarHBondContact OE1-NH2 3.13Å; E127-R130 CarbonylContact O-C 3.53Å; E127-R130 WeakPolarHBondContact O-CA 3.26Å; E127-R130 WeakPolarHBondContact O-CB 3.29Å; E127-R130 PolarHBondContact O-N 2.99Å; R130-A132 PolarHBondContact O-N 2.86Å; R130-V133 PolarHBondContact O-N 2.68Å; R130-E134 WeakPolarHBondContact O-CB 3.49Å; R130-E134 PolarHBondContact O-N 3.38Å
131V90.4Very high90.7Very high83 Ų83120.9 Ų120.950%0.50354%0.543SS..Hα-helixtrans-59.5-46.2177173.40000111.3E127 V133 E134 E135E127-V131 HydrophobicContact CG-CG2 4.35Å; E127-V131 WeakPolarHBondContact O-CG2 3.4Å; E127-V131 PolarHBondContact O-N 3.25Å; V131-V133 VanDerWaalsContact C-N 3.31Å; V131-V133 PolarHBondContact O-N 3.27Å; V131-E134 PolarHBondContact O-N 2.86Å; V131-E135 VanDerWaalsContact O-CB 3.32Å; V131-E135 WeakPolarHBondContact O-CB 3.31Å; V131-E135 PolarHBondContact O-N 2.84Å
132A92.6Very high90.7Very high47 Ų47119.6 Ų119.639%0.38854%0.537SS..Hα-helixtrans-63.6-33.3176.900000113.5K128 R130 K136K128-A132 VanDerWaalsContact O-CB 3.31Å; K128-A132 WeakPolarHBondContact O-CB 3.37Å; K128-A132 PolarHBondContact O-N 2.96Å; K128-A132 VanDerWaalsContact O-N 3.1Å; R130-A132 PolarHBondContact O-N 2.86Å; A132-K136 WeakPolarHBondContact O-CB 3.4Å; A132-K136 WeakPolarHBondContact O-CG 3.13Å; A132-K136 PolarHBondContact O-N 3.49Å; A132-K136 VanDerWaalsContact O-N 3.07Å
133V95.5Very high91Very high105 Ų105117.9 Ų117.964%0.63653%0.529SS*.Hα-helixtrans-73.2-38.6174.11690000111.6R129 R130 V131 K136 R137R129-V133 VanDerWaalsContact O-CG2 3.32Å; R129-V133 WeakPolarHBondContact O-CG2 3.33Å; R129-V133 PolarHBondContact O-N 3.17Å; R129-V133 VanDerWaalsContact O-N 3.09Å; R130-V133 PolarHBondContact O-N 2.68Å; V131-V133 VanDerWaalsContact C-N 3.31Å; V131-V133 PolarHBondContact O-N 3.27Å; V133-K136 PolarHBondContact O-N 3.07Å; V133-R137 WeakPolarHBondContact O-CB 3.39Å; V133-R137 PolarHBondContact O-N 3.06Å
134E91.9Very high91Very high131 Ų131112.4 Ų112.461%0.61251%0.513SS*.Hα-helixtrans-69-41.2176.2-176.3152-125.900112R130 V131 R137 R138R130-E134 WeakPolarHBondContact O-CB 3.49Å; R130-E134 PolarHBondContact O-N 3.38Å; V131-E134 PolarHBondContact O-N 2.86Å; E134-R137 CarbonylContact O-C 3.59Å; E134-R137 WeakPolarHBondContact O-CB 3.3Å; E134-R137 PolarHBondContact O-N 3.46Å; E134-R138 PolarHBondContact O-N 3.07Å
135E91.3Very high91.5Very high101 Ų101117.5 Ų117.547%0.47253%0.528SS..Hα-helixtrans-59.4-48.3171.1-166-149.1169.500110.7V131 R137 R138 Q139V131-E135 VanDerWaalsContact O-CB 3.32Å; V131-E135 WeakPolarHBondContact O-CB 3.31Å; V131-E135 PolarHBondContact O-N 2.84Å; E135-R137 VanDerWaalsContact C-N 3.27Å; E135-R137 PolarHBondContact O-N 3.34Å; E135-R138 CarbonylContact O-C 3.59Å; E135-R138 WeakPolarHBondContact O-CB 3.24Å; E135-R138 PolarHBondContact O-N 3.33Å; E135-Q139 VanDerWaalsContact CD-NE2 3.29Å; E135-Q139 WeakPolarHBondContact O-CB 3.28Å; E135-Q139 WeakPolarHBondContact O-CG 3.37Å; E135-Q139 PolarHBondContact O-N 3.41Å; E135-Q139 PolarHBondContact OE1-NE2 3.42Å
136K93.5Very high91.7Very high133 Ų133115.9 Ų115.958%0.57853%0.528SS*.Hα-helixtrans-60.8-34.4175-79.9-73.6163.5-156.40113A132 V133 K140A132-K136 WeakPolarHBondContact O-CB 3.4Å; A132-K136 WeakPolarHBondContact O-CG 3.13Å; A132-K136 PolarHBondContact O-N 3.49Å; A132-K136 VanDerWaalsContact O-N 3.07Å; V133-K136 PolarHBondContact O-N 3.07Å; K136-K140 PolarHBondContact O-N 3.5Å
137R88.1Confident92Very high166 Ų166117.7 Ų117.763%0.62653%0.531SS*.Hα-helixtrans-68.2-40.1173-172.9-177.7-177.1-168.81111.6V133 E134 E135 Q141V133-R137 WeakPolarHBondContact O-CB 3.39Å; V133-R137 PolarHBondContact O-N 3.06Å; E134-R137 CarbonylContact O-C 3.59Å; E134-R137 WeakPolarHBondContact O-CB 3.3Å; E134-R137 PolarHBondContact O-N 3.46Å; E135-R137 VanDerWaalsContact C-N 3.27Å; E135-R137 PolarHBondContact O-N 3.34Å; R137-Q141 WeakPolarHBondContact O-CG 3.26Å; R137-Q141 PolarHBondContact O-N 2.93Å; R137-Q141 VanDerWaalsContact O-N 3.16Å
138R89.8Confident92.3Very high153 Ų153118.2 Ų118.258%0.57753%0.533SS*.Hα-helixtrans-67.4-49.3177-154.7-161.792.5-1717.2111.4E134 E135 K140 Q141 E142E134-R138 PolarHBondContact O-N 3.07Å; E135-R138 CarbonylContact O-C 3.59Å; E135-R138 WeakPolarHBondContact O-CB 3.24Å; E135-R138 PolarHBondContact O-N 3.33Å; R138-K140 VanDerWaalsContact C-N 3.26Å; R138-K140 PolarHBondContact O-N 3.36Å; R138-Q141 PolarHBondContact O-N 3.47Å; R138-E142 IonicContact CZ-OE2 3.4Å; R138-E142 IonicContact NE-OE2 2.69Å; R138-E142 PolarHBondContact NE-OE2 3.36Å; R138-E142 VanDerWaalsContact NE-OE2 3.13Å; R138-E142 IonicContact NH2-OE2 3.33Å; R138-E142 PolarHBondContact NH2-OE2 3.27Å; R138-E142 WeakPolarHBondContact O-CB 3.15Å; R138-E142 PolarHBondContact O-N 2.88Å
139Q93Very high92.6Very high56 Ų56114.8 Ų114.826%0.26252%0.519SS..Hα-helixtrans-50.5-46173.8-73.9176.74.500110.9E135 E142 E143E135-Q139 VanDerWaalsContact CD-NE2 3.29Å; E135-Q139 WeakPolarHBondContact O-CB 3.28Å; E135-Q139 WeakPolarHBondContact O-CG 3.37Å; E135-Q139 PolarHBondContact O-N 3.41Å; E135-Q139 PolarHBondContact OE1-NE2 3.42Å; Q139-E142 PolarHBondContact O-N 3.13Å; Q139-E143 WeakPolarHBondContact O-CB 3.5Å; Q139-E143 WeakPolarHBondContact O-CG 3.39Å; Q139-E143 PolarHBondContact O-N 2.95Å
140K94Very high92.8Very high127 Ų127109 Ų10955%0.55251%0.509SS*.Hα-helixtrans-64.1-42.7176.6-174.3176.7178.4-177.50113.3K136 R138 E142 E143 D144K136-K140 PolarHBondContact O-N 3.5Å; R138-K140 VanDerWaalsContact C-N 3.26Å; R138-K140 PolarHBondContact O-N 3.36Å; K140-E142 VanDerWaalsContact C-N 3.28Å; K140-E142 PolarHBondContact O-N 2.9Å; K140-E143 PolarHBondContact O-N 3.07Å; K140-D144 WeakPolarHBondContact CE-OD2 3.14Å; K140-D144 WeakPolarHBondContact O-CB 3.31Å; K140-D144 PolarHBondContact O-N 2.78Å
141Q88.6Confident93.2Very high119 Ų119105.4 Ų105.456%0.55651%0.505SS*.Hα-helixtrans-64.7-35.3176.5-71.9175.4-1100111.9R137 R138 R145R137-Q141 WeakPolarHBondContact O-CG 3.26Å; R137-Q141 PolarHBondContact O-N 2.93Å; R137-Q141 VanDerWaalsContact O-N 3.16Å; R138-Q141 PolarHBondContact O-N 3.47Å; Q141-R145 VanDerWaalsContact O-CB 3.26Å; Q141-R145 WeakPolarHBondContact O-CB 3.43Å; Q141-R145 PolarHBondContact O-N 2.92Å
142E91.6Very high93.4Very high84 Ų84105.4 Ų105.439%0.39350%0.501SS..Hα-helixtrans-71.1-43.2177.3-162.5138.4-131.600111R138 Q139 K140 R145 V146R138-E142 IonicContact CZ-OE2 3.4Å; R138-E142 IonicContact NE-OE2 2.69Å; R138-E142 PolarHBondContact NE-OE2 3.36Å; R138-E142 VanDerWaalsContact NE-OE2 3.13Å; R138-E142 IonicContact NH2-OE2 3.33Å; R138-E142 PolarHBondContact NH2-OE2 3.27Å; R138-E142 WeakPolarHBondContact O-CB 3.15Å; R138-E142 PolarHBondContact O-N 2.88Å; Q139-E142 PolarHBondContact O-N 3.13Å; K140-E142 VanDerWaalsContact C-N 3.28Å; K140-E142 PolarHBondContact O-N 2.9Å; E142-R145 PolarHBondContact O-N 2.82Å; E142-V146 WeakPolarHBondContact O-CB 3.5Å; E142-V146 VanDerWaalsContact O-CG2 3.31Å; E142-V146 WeakPolarHBondContact O-CG2 3.41Å; E142-V146 PolarHBondContact O-N 3.47Å
143E93.3Very high93.4Very high94 Ų94111.2 Ų111.244%0.43951%0.513SS..Hα-helixtrans-58.1-50.6168.8-81.4-177.3-129.600112.4Q139 K140 R145 V146 R147Q139-E143 WeakPolarHBondContact O-CB 3.5Å; Q139-E143 WeakPolarHBondContact O-CG 3.39Å; Q139-E143 PolarHBondContact O-N 2.95Å; K140-E143 PolarHBondContact O-N 3.07Å; E143-R145 VanDerWaalsContact C-N 3.29Å; E143-R145 PolarHBondContact O-N 3.38Å; E143-V146 PolarHBondContact O-N 3.23Å; E143-R147 WeakPolarHBondContact O-CB 3.39Å; E143-R147 WeakPolarHBondContact O-CG 3.14Å; E143-R147 PolarHBondContact O-N 2.83Å; E143-R147 IonicContact OE2-CZ 3.41Å; E143-R147 IonicContact OE2-NH1 3.96Å; E143-R147 IonicContact OE2-NH2 2.67Å; E143-R147 PolarHBondContact OE2-NH2 2.82Å
144D94.7Very high93.3Very high71 Ų71115.2 Ų115.238%0.3852%0.517SS..Hα-helixtrans-67.2-31.5-178.3-73.6-26.8000111.3K140 R147 H148K140-D144 WeakPolarHBondContact CE-OD2 3.14Å; K140-D144 WeakPolarHBondContact O-CB 3.31Å; K140-D144 PolarHBondContact O-N 2.78Å; D144-R147 IonicContact OD1-CZ 3.84Å; D144-R147 IonicContact OD1-NH1 2.92Å; D144-R147 PolarHBondContact OD1-NH1 2.83Å; D144-H148 WeakPolarHBondContact O-CB 3.34Å; D144-H148 PolarHBondContact O-N 3.5Å
145R96.3Very high93.2Very high177 Ų177112.9 Ų112.967%0.66851%0.511SS*.Hα-helixtrans-65.1-48.3168.6-179.6-177.3178.5-174.90.5112.1Q141 E142 E143 R147 H148 E149Q141-R145 VanDerWaalsContact O-CB 3.26Å; Q141-R145 WeakPolarHBondContact O-CB 3.43Å; Q141-R145 PolarHBondContact O-N 2.92Å; E142-R145 PolarHBondContact O-N 2.82Å; E143-R145 VanDerWaalsContact C-N 3.29Å; E143-R145 PolarHBondContact O-N 3.38Å; R145-R147 VanDerWaalsContact C-N 3.33Å; R145-R147 PolarHBondContact O-N 3.32Å; R145-H148 WeakPolarHBondContact O-CB 3.32Å; R145-H148 PolarHBondContact O-N 2.99Å; R145-E149 PolarHBondContact O-N 2.9Å
146V95.8Very high93.1Very high89 Ų89112.8 Ų112.854%0.53951%0.514SS..Hα-helixtrans-64.3-37.1178.1168.30000111.3E142 E143 E149 A150E142-V146 WeakPolarHBondContact O-CB 3.5Å; E142-V146 VanDerWaalsContact O-CG2 3.31Å; E142-V146 WeakPolarHBondContact O-CG2 3.41Å; E142-V146 PolarHBondContact O-N 3.47Å; E143-V146 PolarHBondContact O-N 3.23Å; V146-E149 PolarHBondContact O-N 3.26Å; V146-A150 VanDerWaalsContact O-CB 3.27Å; V146-A150 WeakPolarHBondContact O-CB 3.43Å; V146-A150 PolarHBondContact O-N 3.29Å
147R94.8Very high92.8Very high135 Ų135111.5 Ų111.551%0.50951%0.51SS..Hα-helixtrans-62.5-44.4172.1-72.1165.7-175.5171.12.8111.6E143 D144 R145 A150 V151E143-R147 WeakPolarHBondContact O-CB 3.39Å; E143-R147 WeakPolarHBondContact O-CG 3.14Å; E143-R147 PolarHBondContact O-N 2.83Å; E143-R147 IonicContact OE2-CZ 3.41Å; E143-R147 IonicContact OE2-NH1 3.96Å; E143-R147 IonicContact OE2-NH2 2.67Å; E143-R147 PolarHBondContact OE2-NH2 2.82Å; D144-R147 IonicContact OD1-CZ 3.84Å; D144-R147 IonicContact OD1-NH1 2.92Å; D144-R147 PolarHBondContact OD1-NH1 2.83Å; R145-R147 VanDerWaalsContact C-N 3.33Å; R145-R147 PolarHBondContact O-N 3.32Å; R147-A150 PolarHBondContact O-N 2.91Å; R147-V151 WeakPolarHBondContact O-CG2 3.25Å; R147-V151 PolarHBondContact O-N 3.48Å
148H94.6Very high92.7Very high125 Ų125113.2 Ų113.258%0.57952%0.516SS*.Hα-helixtrans-63.3-43.9176-177.461.4000111.8D144 R145 V151 I152D144-H148 WeakPolarHBondContact O-CB 3.34Å; D144-H148 PolarHBondContact O-N 3.5Å; R145-H148 WeakPolarHBondContact O-CB 3.32Å; R145-H148 PolarHBondContact O-N 2.99Å; H148-V151 WeakPolarHBondContact O-CB 3.46Å; H148-V151 PolarHBondContact O-N 3.48Å; H148-I152 WeakPolarHBondContact O-CG1 3.42Å; H148-I152 PolarHBondContact O-N 3.48Å
149E96Very high92.4Very high77 Ų77109.4 Ų109.436%0.3651%0.513SS..Hα-helixtrans-64-42175.2-164.5-170.9144.700112.1R145 V146 V151 I152 R153R145-E149 PolarHBondContact O-N 2.9Å; V146-E149 PolarHBondContact O-N 3.26Å; E149-V151 VanDerWaalsContact C-N 3.28Å; E149-V151 PolarHBondContact O-N 2.61Å; E149-I152 CarbonylContact O-C 3.59Å; E149-I152 PolarHBondContact O-N 3.19Å; E149-I152 VanDerWaalsContact O-N 3.1Å; E149-R153 WeakPolarHBondContact O-CG 3.48Å; E149-R153 PolarHBondContact O-N 2.86Å; E149-R153 IonicContact OE1-CZ 3.15Å; E149-R153 IonicContact OE1-NE 2.8Å; E149-R153 PolarHBondContact OE1-NE 3.33Å; E149-R153 IonicContact OE1-NH2 2.67Å; E149-R153 PolarHBondContact OE1-NH2 3.29Å
150A94Very high91.5Very high55 Ų55113.5 Ų113.546%0.45553%0.532SS..Hα-helixtrans-62.7-33.9175.400000112.3V146 R147 R154V146-A150 VanDerWaalsContact O-CB 3.27Å; V146-A150 WeakPolarHBondContact O-CB 3.43Å; V146-A150 PolarHBondContact O-N 3.29Å; R147-A150 PolarHBondContact O-N 2.91Å; A150-R154 WeakPolarHBondContact O-CB 3.27Å; A150-R154 PolarHBondContact O-N 2.88Å
151V96.8Very high90Very high85 Ų85114.5 Ų114.552%0.51554%0.537SS..Hα-helixtrans-65.3-45.5170.2168.70000110.9R147 H148 E149 R154 T155R147-V151 WeakPolarHBondContact O-CG2 3.25Å; R147-V151 PolarHBondContact O-N 3.48Å; H148-V151 WeakPolarHBondContact O-CB 3.46Å; H148-V151 PolarHBondContact O-N 3.48Å; E149-V151 VanDerWaalsContact C-N 3.28Å; E149-V151 PolarHBondContact O-N 2.61Å; V151-R154 PolarHBondContact O-N 2.86Å; V151-T155 WeakPolarHBondContact O-CG2 3.41Å; V151-T155 PolarHBondContact O-N 3.4Å; V151-T155 PolarHBondContact O-OG1 2.94Å
152I95.6Very high88.3Confident83 Ų83113.9 Ų113.943%0.42654%0.541SS..Hα-helixtrans-62-46.1176.5-68.6169.4000111.5H148 E149 R154 T155 L156H148-I152 WeakPolarHBondContact O-CG1 3.42Å; H148-I152 PolarHBondContact O-N 3.48Å; E149-I152 CarbonylContact O-C 3.59Å; E149-I152 PolarHBondContact O-N 3.19Å; E149-I152 VanDerWaalsContact O-N 3.1Å; I152-R154 VanDerWaalsContact C-N 3.33Å; I152-R154 PolarHBondContact O-N 3.46Å; I152-T155 PolarHBondContact O-N 3.02Å; I152-T155 PolarHBondContact O-OG1 2.65Å; I152-L156 VanDerWaalsContact O-CB 3.31Å; I152-L156 WeakPolarHBondContact O-CB 3.44Å; I152-L156 PolarHBondContact O-N 3.36Å
153R92.7Very high86.5Confident170 Ų170120.1 Ų120.164%0.64256%0.561SS**Hα-helixtrans-61.5-41.4176.2-70.1-174.1-174.9-140.77.5111E149 E157E149-R153 WeakPolarHBondContact O-CG 3.48Å; E149-R153 PolarHBondContact O-N 2.86Å; E149-R153 IonicContact OE1-CZ 3.15Å; E149-R153 IonicContact OE1-NE 2.8Å; E149-R153 PolarHBondContact OE1-NE 3.33Å; E149-R153 IonicContact OE1-NH2 2.67Å; E149-R153 PolarHBondContact OE1-NH2 3.29Å; R153-E157 VanDerWaalsContact O-CB 3.26Å; R153-E157 WeakPolarHBondContact O-CB 3.49Å; R153-E157 PolarHBondContact O-N 2.95Å
154R92.4Very high84.7Confident188 Ų188121.3 Ų121.371%0.70958%0.577SS**Hα-helixtrans-66.9-37.6176.3178.8178.8-79.8170.8-5.5113.1A150 V151 I152 R158A150-R154 WeakPolarHBondContact O-CB 3.27Å; A150-R154 PolarHBondContact O-N 2.88Å; V151-R154 PolarHBondContact O-N 2.86Å; I152-R154 VanDerWaalsContact C-N 3.33Å; I152-R154 PolarHBondContact O-N 3.46Å; R154-R158 VanDerWaalsContact O-CB 3.29Å; R154-R158 WeakPolarHBondContact O-CB 3.36Å; R154-R158 PolarHBondContact O-N 2.9Å
155T90.3Very high82.6Confident82 Ų82127.7 Ų127.750%0.50360%0.601SS.*Hα-helixtrans-71.5-41.2176.152.50000111.5V151 I152 R158 S159V151-T155 WeakPolarHBondContact O-CG2 3.41Å; V151-T155 PolarHBondContact O-N 3.4Å; V151-T155 PolarHBondContact O-OG1 2.94Å; I152-T155 PolarHBondContact O-N 3.02Å; I152-T155 PolarHBondContact O-OG1 2.65Å; T155-R158 PolarHBondContact O-N 3.15Å; T155-S159 PolarHBondContact O-N 2.93Å; T155-S159 PolarHBondContact O-OG 3.4Å
156L89.3Confident81.1Confident100 Ų100127.8 Ų127.852%0.52461%0.61SS.*Hα-helixtrans-63-43.8174-17763.7000111.9I152 R158 S159 Q160I152-L156 VanDerWaalsContact O-CB 3.31Å; I152-L156 WeakPolarHBondContact O-CB 3.44Å; I152-L156 PolarHBondContact O-N 3.36Å; L156-R158 VanDerWaalsContact C-N 3.32Å; L156-R158 PolarHBondContact O-N 3.47Å; L156-S159 PolarHBondContact O-N 3.46Å; L156-S159 PolarHBondContact O-OG 3.27Å; L156-Q160 WeakPolarHBondContact O-CB 3.29Å; L156-Q160 WeakPolarHBondContact O-CG 3.48Å; L156-Q160 PolarHBondContact O-N 3.17Å
157E86.4Confident78.7Confident106 Ų106130.1 Ų130.150%0.49562%0.619SS.*Hα-helixtrans-63.3-39174.8-178.1178.4-164.200111.5R153 Q160 K161R153-E157 VanDerWaalsContact O-CB 3.26Å; R153-E157 WeakPolarHBondContact O-CB 3.49Å; R153-E157 PolarHBondContact O-N 2.95Å; E157-Q160 PolarHBondContact O-N 2.8Å; E157-K161 HydrophobicContact CG-CD 3.9Å; E157-K161 WeakPolarHBondContact O-CB 3.33Å; E157-K161 PolarHBondContact O-N 2.9Å; E157-K161 IonicContact OE1-NZ 2.66Å; E157-K161 PolarHBondContact OE1-NZ 3.26Å
158R85.8Confident76.6Confident201 Ų201133.5 Ų133.576%0.75863%0.632SS**Hα-helixtrans-65.2-37.8177.5-174.4174.1179.1169.40.3112.5R154 T155 L156R154-R158 VanDerWaalsContact O-CB 3.29Å; R154-R158 WeakPolarHBondContact O-CB 3.36Å; R154-R158 PolarHBondContact O-N 2.9Å; T155-R158 PolarHBondContact O-N 3.15Å; L156-R158 VanDerWaalsContact C-N 3.32Å; L156-R158 PolarHBondContact O-N 3.47Å
159S83.4Confident74.4Confident74 Ų74139.2 Ų139.252%0.51765%0.648SS.*Hα-helixtrans-77.5-24.2174.559.30000113.5T155 L156 T162T155-S159 PolarHBondContact O-N 2.93Å; T155-S159 PolarHBondContact O-OG 3.4Å; L156-S159 PolarHBondContact O-N 3.46Å; L156-S159 PolarHBondContact O-OG 3.27Å; S159-T162 PolarHBondContact O-OG1 3.13Å
160Q75.5Confident72.2Confident141 Ų141139.9 Ų139.966%0.65966%0.662SS**Hα-helixtrans-72.3-38.5168.6-70.9-82.93.500112L156 E157 T162L156-Q160 WeakPolarHBondContact O-CB 3.29Å; L156-Q160 WeakPolarHBondContact O-CG 3.48Å; L156-Q160 PolarHBondContact O-N 3.17Å; E157-Q160 PolarHBondContact O-N 2.8Å; Q160-T162 VanDerWaalsContact C-N 3.26Å; Q160-T162 PolarHBondContact O-N 3.5Å
161K61.5Low70.3Confident148 Ų148149.2 Ų149.264%0.64369%0.685SS**Hα-helixtrans-69.9-15.7179.7-108.578.1176.1-170.10114E157 R163E157-K161 HydrophobicContact CG-CD 3.9Å; E157-K161 WeakPolarHBondContact O-CB 3.33Å; E157-K161 PolarHBondContact O-N 2.9Å; E157-K161 IonicContact OE1-NZ 2.66Å; E157-K161 PolarHBondContact OE1-NZ 3.26Å; K161-R163 PolarHBondContact O-N 2.88Å
162T53.2Low68Low106 Ų106148.9 Ų148.965%0.6570%0.699SS**  trans-75.459.6175.341.70000113.3S159 Q160S159-T162 PolarHBondContact O-OG1 3.13Å; Q160-T162 VanDerWaalsContact C-N 3.26Å; Q160-T162 PolarHBondContact O-N 3.5Å
163R54.2Low65.6Low216 Ų216148.7 Ų148.782%0.81572%0.718SS**  trans-61.3142.4155-83.7-79.4177.4156.3-3.6108.7K161 K165K161-R163 PolarHBondContact O-N 2.88Å; R163-K165 VanDerWaalsContact C-N 3.3Å; R163-K165 PolarHBondContact O-N 3.48Å
164P54.8Low63Low119 Ų119145.5 Ų145.577%0.77373%0.728SS**  trans-75.375.3-170.330.7-36.6000112.5Q166P164-Q166 VanDerWaalsContact C-N 3.33Å; P164-Q166 PolarHBondContact O-N 2.95Å
165K52.3Low60.8Low204 Ų204143.8 Ų143.889%0.88773%0.731SS**  trans-82.282175.5-158.8165.7-171.7174.60110.2R163 N167R163-K165 VanDerWaalsContact C-N 3.3Å; R163-K165 PolarHBondContact O-N 3.48Å; K165-N167 PolarHBondContact O-N 3.3Å
166Q63.8Low58.6Low180 Ų180147.3 Ų147.384%0.84174%0.742SS**  trans-49.1101.7175.343169.4-23.700113.6P164P164-Q166 VanDerWaalsContact C-N 3.33Å; P164-Q166 PolarHBondContact O-N 2.95Å
167N45.8Very low56.1Low138 Ų138148.5 Ų148.574%0.73875%0.754SS**  trans-164.5112.3148-120.7-48.8000114.5K165K165-N167 PolarHBondContact O-N 3.3Å
168R50.3Low53.7Low206 Ų206150.7 Ų150.778%0.77777%0.769SS**  4286.6125.2-164.4176.2-175.6-112.24.3118.2
169W47.6Very low51.2Low244 Ų244148 Ų14892%0.92478%0.775SS**  trans-98.299.8147.8-82.5-22.4000110.1W171W169-W171 PolarHBondContact O-N 2.88Å
170S51.4Low49.9Very low92 Ų92149.8 Ų149.864%0.64379%0.785SS**  trans-80106.8170.348.50000110.2
171W53.1Low48.1Very low251 Ų251148.1 Ų148.195%0.95179%0.788SS**  trans-73.5122.7165.6-73.183.3000109.4W169W169-W171 PolarHBondContact O-N 2.88Å
172G48.3Very low47.4Very low77 Ų77149 Ų14979%0.79480%0.799SS**  trans172.991.6-179.900000112
173G46.1Very low47.3Very low80 Ų80149.6 Ų149.683%0.82580%0.804SS**PPolyproline II helixtrans-79.7132.817000000110.6
174A37.5Very low46.6Very low103 Ų103143.9 Ų143.985%0.85180%0.803SS**PPolyproline II helixtrans-84.1144.6173.200000111
175L45.8Very low45.9Very low151 Ų151146.5 Ų146.579%0.79181%0.811SS**PPolyproline II helixtrans-102163.6177.3-69.2177.6000112.5
176H45.3Very low45.3Very low156 Ų156141.6 Ų141.672%0.72281%0.808SS**PPolyproline II helixtrans-61156.5-173.540.9-102.2000116.7
177T35.4Very low43.9Very low126 Ų126138.7 Ų138.777%0.77380%0.798SS**  trans-144.3120.6152.640.20000113
178N35.8Very low43.8Very low151 Ų151141 Ų14181%0.80780%0.797SS**  trans52.3111.2140.6-52.9-28.2000123
179T34.9Very low43.3Very low144 Ų144140.8 Ų140.888%0.88380%0.796SS**  trans-141.3135.4131.3-50.30000108.8
180P54.7Low43.2Very low112 Ų112134 Ų13473%0.72779%0.785SS**  trans-109.7157.9-172.439.4-33.8000115.3
181S38.1Very low42.6Very low106 Ų106137.6 Ų137.674%0.74180%0.803SS**  147.5138.4117.662.90000116.7
182I46.5Very low42.2Very low167 Ų167129.3 Ų129.386%0.85678%0.784SS**  trans76.8141.5151.4-72.6165.7000119.1
183P51.2Low41.7Very low119 Ų119131.9 Ų131.977%0.77378%0.784SS**  trans-134164.4-143.541.3-23.4000117.6
184A41.1Very low41.4Very low95 Ų95132.5 Ų132.579%0.78577%0.772SS**SBendtrans-150.3147.3149.100000109.5
185D38.2Very low41.8Very low175 Ų175135.5 Ų135.594%0.93677%0.774SS**  trans35111.5177.2-81.3-56.7000120.1
186A41.3Very low41.8Very low101 Ų101134.2 Ų134.284%0.83577%0.767SS**  trans-134.4116.9164.900000111.2
187D33.8Very low41.5Very low118 Ų118132 Ų13263%0.63177%0.769SS**  -167162.4112.2-166.19.7000109.8
188R43.6Very low42.1Very low186 Ų186135.1 Ų135.170%0.70277%0.772SS**  trans75.570.6160.3-46.3-155.6178.2-145.5-15.4119.6
189R39.4Very low41.9Very low203 Ų203135 Ų13577%0.76677%0.766SS**  72.3152.9113.8-66.9149.6-174.2-95.7-3.4118.6
190S45.6Very low41.9Very low100 Ų100133.5 Ų133.570%0.69976%0.757SS**  trans65.691.9156.7-57.90000116.5S192S190-S192 PolarHBondContact O-N 2.81Å
191V39.5Very low40.7Very low169 Ų169133.9 Ų133.9100%1.02475%0.753SS**  trans-70.477.1149.6-159.90000107.5
192S43.5Very low41.2Very low76 Ų76135 Ų13553%0.53176%0.758SS.*  trans-136.6132-176.2-175.70000108.7S190S190-S192 PolarHBondContact O-N 2.81Å
193T37.7Very low40.8Very low131 Ų131133.3 Ų133.380%0.80475%0.749SS**  trans65.7155.1-175.587.20000112.6
194V40.1Very low40.2Very low93 Ų93134.1 Ų134.156%0.56475%0.745SS**  cis-168.5150.2-28.4120.60000106.2L196V194-L196 HydrophobicContact CG1-CB 3.76Å; V194-L196 HydrophobicContact CG1-CD1 3.49Å; V194-L196 VanDerWaalsContact CG1-CD1 3.49Å; V194-L196 HydrophobicContact CG1-CG 3.52Å
195N45.8Very low40.1Very low167 Ų167136.1 Ų136.189%0.89375%0.748SS**  trans-164.674.4149.5-94.3-43.3000106.7
196L46.6Very low40.4Very low123 Ų123136.4 Ų136.464%0.64474%0.741SS**  45.9114.682.7-91.8-177.4000114.6V194V194-L196 HydrophobicContact CG1-CB 3.76Å; V194-L196 HydrophobicContact CG1-CD1 3.49Å; V194-L196 VanDerWaalsContact CG1-CD1 3.49Å; V194-L196 HydrophobicContact CG1-CG 3.52Å
197S39.5Very low40.5Very low111 Ų111141.9 Ų141.978%0.77674%0.74SS**SBendtrans-13478.1149530000110.4
198K47.2Very low40.7Very low190 Ų190143.5 Ų143.583%0.82675%0.748SS**  trans73.8103.2163.4-51.5164.3-172.4177.50114
199H32.8Very low40.6Very low148 Ų148140.2 Ų140.269%0.68575%0.753SS**  63.6118.973.5-157.1-81.4000110.6
200T33.4Very low40.7Very low113 Ų113135.3 Ų135.369%0.69375%0.75SS**  cis-150.8152.248.7-40.40000112.8
201D30.5Very low40.4Very low120 Ų120135 Ų13564%0.64275%0.748SS**  trans-80.7153-176.4-52.8-85.4000116.2I203D201-I203 HydrophobicContact CB-CD1 4.24Å; D201-I203 HydrophobicContact CB-CG1 4.07Å
202P47.8Very low40.2Very low130 Ų130132.3 Ų132.384%0.84474%0.737SS**  trans-91.1115.8160.433.8-28.2000111.1
203I37.9Very low39.8Very low131 Ų131132.9 Ų132.967%0.67275%0.746SS**  trans-117.9115.6-174.5-74.8179.6000111.9D201D201-I203 HydrophobicContact CB-CD1 4.24Å; D201-I203 HydrophobicContact CB-CG1 4.07Å
204I39.8Very low40.1Very low136 Ų136132.9 Ų132.970%0.69775%0.746SS**  trans57.3117.9147.8-59.4175.1000115.7
205T37.6Very low40Very low138 Ų138136.5 Ų136.585%0.84776%0.761SS**  -133.3143.868.143.30000116.9
206K45.3Very low39.4Very low181 Ų181135.3 Ų135.379%0.78775%0.754SS**  trans-67.3152.2173.9-53.7167.6-178.6176.30111.7
207R43.8Very low38.8Very low216 Ų216136.5 Ų136.582%0.81576%0.761SS**  175.9114.6102.2-91.217689.6167.15.4114.4
208L37.7Very low38.6Very low151 Ų151137 Ų13779%0.79176%0.764SS**  trans73.7135.8140.7-56175.2000122
209S42.3Very low38.9Very low117 Ų117133.7 Ų133.782%0.81876%0.763SS**  trans66.2116154.3-132.50000121.3
210S41.3Very low39.1Very low101 Ų101133.8 Ų133.871%0.70677%0.768SS**  trans-77.4162.6147.8178.80000110.3
211S38.9Very low39.4Very low94 Ų94139.6 Ų139.666%0.65778%0.778SS**  trans70.1135162.3-40.50000115
212S34.4Very low39.7Very low111 Ų111137.3 Ų137.378%0.77678%0.782SS**  cis-156.7167.928.8-64.80000113.2
213A36Very low39.4Very low88 Ų88139.4 Ų139.473%0.72779%0.785SS**  trans60.4118.8146.700000120.9
214T43Very low39.4Very low132 Ų132142.6 Ų142.681%0.8180%0.797SS**  trans22124.1136.657.50000120
215L37.8Very low39.3Very low168 Ų168144.4 Ų144.488%0.8881%0.805SS**  -164.6159.1126.7-106.4168.4000113.1
216L34.4Very low39Very low143 Ų143149.5 Ų149.575%0.74981%0.808SS**  trans-64.5155.3-163-61.6156.7000117.8
217N34.1Very low38.8Very low148 Ų148147.3 Ų147.379%0.79181%0.81SS**  trans19.2114144.5-60.3-16.4000119.8
218S34.3Very low38.2Very low120 Ų120141.5 Ų141.584%0.83981%0.809SS**  -176.1162.1113-830000112.8
219P55Low38Very low121 Ų121139.6 Ų139.679%0.78681%0.808SS**  trans-109.6-175.4-166.242.7-36.5000115.5
220D35.8Very low37.9Very low151 Ų151140 Ų14081%0.80781%0.805SS**  trans86.6156.5160.4-161.837.1000118.5
221R40.7Very low38.4Very low235 Ų235141.2 Ų141.289%0.88781%0.811SS**  trans72131.3-165.2-53.7-177.3178.1-161.8-0.8114.2
222G35Very low38.2Very low71 Ų71142.6 Ų142.673%0.73282%0.816SS**  cis-180144-5.500000112.8Q224G222-Q224 PolarHBondContact O-N 3.43Å
223L42.9Very low38.5Very low174 Ų174145.3 Ų145.391%0.91182%0.819SS**  trans-40.8129.8179.4-61165.5000114.3
224Q37.6Very low38.2Very low198 Ų198146.3 Ų146.393%0.92582%0.821SS**  trans-149.7130.7144.1-134.3164.194.100113G222G222-Q224 PolarHBondContact O-N 3.43Å
225M37Very low37.7Very low174 Ų174150.1 Ų150.186%0.85783%0.827SS**  trans-67.3153.9176.7-65.9-75-154.300111.2
226R32.7Very low37.5Very low245 Ų245146.9 Ų146.993%0.92582%0.824SS**  trans-144.2110.5150.5-152173.4-62.6149.33.5110.7
227T39.3Very low37.4Very low135 Ų135147.9 Ų147.983%0.82883%0.825SS**  trans-86.9143.3172.939.50000110.5
228A31.6Very low37.4Very low94 Ų94146.6 Ų146.678%0.77783%0.827SS**  trans-157.8142.8167.900000105.7
229S34.8Very low37.6Very low112 Ų112149.1 Ų149.178%0.78382%0.823SS**  cis175.5159-12.543.50000103.5
230T39.7Very low37.8Very low124 Ų124148.8 Ų148.876%0.76182%0.821SS**  trans-69.3170-179.851.10000112.6
231P50.9Low37.6Very low128 Ų128152.4 Ų152.483%0.83182%0.824SS**  -131160.4116.337.2-31.2000114.8
232V36.2Very low37.2Very low123 Ų123147.2 Ų147.275%0.74581%0.813SS**  trans-102.2140.9176.4170.60000109.5
233I39.1Very low37.2Very low167 Ų167152.6 Ų152.686%0.85682%0.818SS**  trans-136.5147.4148.2-67.6-168.3000109.3
234S30.6Very low36.8Very low110 Ų110152 Ų15277%0.76981%0.811SS**  trans-91.5175.1-169.853.30000114.6
235K33.3Very low36.7Very low212 Ų212146.3 Ų146.392%0.92281%0.806SS**  trans-139.2147.6163.4-161155.1-172.9168.80111.3
236A32.9Very low36.8Very low99 Ų99146.6 Ų146.682%0.81880%0.802SS**  trans-84.1171.5-164.400000115.2
237Q33.2Very low37.2Very low165 Ų165141.9 Ų141.977%0.77180%0.801SS**  trans-84.7150.9-175.5-61.1-169.466.500114.3
238S32.1Very low37.1Very low120 Ų120142.3 Ų142.384%0.83980%0.803SS**  trans-153155.3135.2550000110.2
239K39.9Very low37.1Very low173 Ų173146 Ų14675%0.75280%0.804SS**  trans-136.1-163.5-177.7-59179178.9169.30109.2
240P57.9Low36.9Very low115 Ų115148 Ų14875%0.74780%0.801SS**  -128.2-179-98.640.9-23.5000113.5
241R32.8Very low36.8Very low227 Ų227150.6 Ų150.686%0.85780%0.802SS**  trans146.2165.3151.8-87.8-166.2166.2-149.9-2.2110.8
242L32.3Very low36.2Very low126 Ų126151.6 Ų151.666%0.6680%0.8SS**  cis-174.5130.2-33.2173.1147.2000108.9
243H34.5Very low36.3Very low184 Ų184152 Ų15285%0.85280%0.803SS**  trans-165.1137.6150.94044.6000110
244Q34.6Very low36.5Very low161 Ų161147 Ų14775%0.75279%0.793SS**  trans-98.7143.4175.8-68.4-170.87.200110.9K246Q244-K246 VanDerWaalsContact OE1-CE 3.3Å
245G35Very low37Very low79 Ų79150 Ų15081%0.81480%0.799SS**  trans-135.2128.4157.100000108
246K40.2Very low37.6Very low179 Ų179151.6 Ų151.678%0.77880%0.799SS**  trans-107.1115.4-172.8-65.9174-178.5172.50111.1Q244Q244-K246 VanDerWaalsContact OE1-CE 3.3Å
247T41Very low38.6Very low147 Ų147155.8 Ų155.890%0.90279%0.794SS**  trans-142.3163.9153.748.50000109.8
248T37.4Very low40.3Very low144 Ų144155.2 Ų155.288%0.88380%0.795SS**  trans-79.3144.3-150.3-48.10000115.6
249Q31.5Very low42.2Very low170 Ų170155.3 Ų155.379%0.79479%0.793SS**  trans-63.9126.6170.5-76.9-85.111.500112.4
250H30.2Very low44Very low154 Ų154149.9 Ų149.971%0.71377%0.772SS**  -167.476.8119.9-159.3-84.3000111.5
251K37.7Very low45.1Very low180 Ų180147.5 Ų147.578%0.78376%0.755SS**  trans-127.5109.1168.2-72.9-174.9179.7177.90109.1T253K251-T253 PolarHBondContact O-N 2.86Å
252N37.7Very low47.2Very low148 Ų148142.5 Ų142.579%0.79175%0.752SS**  trans-66.893.3175.7-81.9-36.6000110.1G254N252-G254 PolarHBondContact O-N 3.29Å
253T38.3Very low49.2Very low133 Ų133145.1 Ų145.182%0.81675%0.753SS**  trans-7368.8170.749.50000110.4K251 L255K251-T253 PolarHBondContact O-N 2.86Å; T253-L255 PolarHBondContact O-N 2.88Å
254G43Very low51.7Low61 Ų61140 Ų14063%0.62973%0.73SS**  trans-54131.7153.700000108.1N252 R256N252-G254 PolarHBondContact O-N 3.29Å; G254-R256 PolarHBondContact O-N 2.81Å
255L41.1Very low54Low172 Ų172134.5 Ų134.590%0.90171%0.709SS**  trans-50.1111.6-172.7-67.9165.7000110.4T253 R257T253-L255 PolarHBondContact O-N 2.88Å; L255-R257 VanDerWaalsContact C-N 3.27Å; L255-R257 PolarHBondContact O-N 3.04Å
256R45.8Very low56.1Low246 Ų246132.8 Ų132.893%0.92869%0.685SS**  trans-6595.1167.6-70.9-146.8-62.6177.1-0.9107.4G254 L258G254-R256 PolarHBondContact O-N 2.81Å; R256-L258 PolarHBondContact O-N 2.78Å
257R55.3Low58Low188 Ų188128.2 Ų128.271%0.70967%0.667SS**  trans-47129.4155.7-78.6-170.8175-169.7-1.1106.3L255L255-R257 VanDerWaalsContact C-N 3.27Å; L255-R257 PolarHBondContact O-N 3.04Å
258L68.4Low60Low153 Ų153123.2 Ų123.280%0.80164%0.636SS**  trans-51.7139.6157.4-66.8168.3000106.8R256 L260R256-L258 PolarHBondContact O-N 2.78Å; L258-L260 PolarHBondContact O-N 3.17Å
259P72Confident61.8Low121 Ų121120.5 Ų120.579%0.78662%0.616SS**  trans-56.5113.5176.524.2-32.6000107.4T261P259-T261 PolarHBondContact O-N 3.25Å
260L76.8Confident64.1Low60 Ų60120.5 Ų120.531%0.31461%0.609SS.*  trans-52.5130.3179.2-71.7167.9000107.4L258 E264 V268L258-L260 PolarHBondContact O-N 3.17Å; L260-E264 HydrophobicContact CB-CB 4.18Å; L260-E264 HydrophobicContact CD2-CB 3.94Å; L260-V268 HydrophobicContact CD1-CG2 4.28Å
261T81.3Confident66.3Low65 Ų65120.6 Ų120.640%0.39961%0.614SS.*  trans-54.9151.9173.958.80000109.1P259 W263 E264 S265P259-T261 PolarHBondContact O-N 3.25Å; T261-W263 PolarHBondContact O-N 3.16Å; T261-E264 VanDerWaalsContact CB-OE2 3.3Å; T261-E264 WeakPolarHBondContact CB-OE2 3.13Å; T261-E264 VanDerWaalsContact CG2-OE2 3.32Å; T261-E264 WeakPolarHBondContact CG2-OE2 3.46Å; T261-E264 PolarHBondContact N-OE2 3.4Å; T261-E264 PolarHBondContact O-N 2.88Å; T261-E264 VanDerWaalsContact OG1-CD 3.31Å; T261-E264 VanDerWaalsContact OG1-CG 3.25Å; T261-E264 WeakPolarHBondContact OG1-CG 3.48Å; T261-E264 PolarHBondContact OG1-N 2.84Å; T261-E264 PolarHBondContact OG1-OE2 2.97Å; T261-S265 WeakPolarHBondContact O-CB 3.31Å; T261-S265 PolarHBondContact O-N 2.88Å
262P77.6Confident68.1Low121 Ų121119 Ų11979%0.78661%0.609SS**Hα-helixtrans-52.5-28.5178.7-2936.2000113.2S266P262-S266 VanDerWaalsContact O-CB 3.32Å; P262-S266 WeakPolarHBondContact O-CB 3.36Å; P262-S266 PolarHBondContact O-N 3.24Å
263W74Confident69.8Low181 Ų181118.1 Ų118.169%0.68660%0.601SS**Hα-helixtrans-72-51.2172.8-176.772.8000113.6T261 S265 S266 M267T261-W263 PolarHBondContact O-N 3.16Å; W263-S265 VanDerWaalsContact C-N 3.3Å; W263-S265 PolarHBondContact O-N 3.19Å; W263-S266 CarbonylContact O-C 3.59Å; W263-S266 WeakPolarHBondContact O-CA 3.48Å; W263-S266 WeakPolarHBondContact O-CB 3.44Å; W263-S266 PolarHBondContact O-N 3.13Å; W263-S266 VanDerWaalsContact O-N 3.13Å; W263-M267 HydrophobicContact CD2-CE 4.21Å; W263-M267 HydrophobicContact CD2-SD 4.39Å; W263-M267 HydrophobicContact CE3-CE 3.74Å; W263-M267 HydrophobicContact CE3-SD 4.46Å; W263-M267 HydrophobicContact CH2-CE 3.42Å; W263-M267 VanDerWaalsContact CH2-CE 3.42Å; W263-M267 HydrophobicContact CH2-SD 3.59Å; W263-M267 VanDerWaalsContact CH2-SD 3.59Å; W263-M267 HydrophobicContact CZ2-CE 3.9Å; W263-M267 HydrophobicContact CZ2-CG 4.39Å; W263-M267 HydrophobicContact CZ2-SD 3.48Å; W263-M267 WeakPolarHBondContact CZ2-SD 3.4Å; W263-M267 HydrophobicContact CZ3-CE 3.32Å; W263-M267 HydrophobicContact CZ3-SD 4.09Å; W263-M267 PolarHBondContact O-N 3.13Å
264E86.1Confident71.1Confident76 Ų76116.2 Ų116.236%0.35559%0.59SS.*Hα-helixtrans-61.4-39.6176.1-68.8162.6120.900111.9L260 T261 S266 M267 V268L260-E264 HydrophobicContact CB-CB 4.18Å; L260-E264 HydrophobicContact CD2-CB 3.94Å; T261-E264 VanDerWaalsContact CB-OE2 3.3Å; T261-E264 WeakPolarHBondContact CB-OE2 3.13Å; T261-E264 VanDerWaalsContact CG2-OE2 3.32Å; T261-E264 WeakPolarHBondContact CG2-OE2 3.46Å; T261-E264 PolarHBondContact N-OE2 3.4Å; T261-E264 PolarHBondContact O-N 2.88Å; T261-E264 VanDerWaalsContact OG1-CD 3.31Å; T261-E264 VanDerWaalsContact OG1-CG 3.25Å; T261-E264 WeakPolarHBondContact OG1-CG 3.48Å; T261-E264 PolarHBondContact OG1-N 2.84Å; T261-E264 PolarHBondContact OG1-OE2 2.97Å; E264-S266 VanDerWaalsContact C-N 3.34Å; E264-M267 HydrophobicContact CG-CE 4.44Å; E264-M267 PolarHBondContact O-N 3.22Å; E264-V268 WeakPolarHBondContact O-CG2 3.4Å; E264-V268 PolarHBondContact O-N 3.26Å
265S82.6Confident72.3Confident47 Ų47117 Ų11733%0.32958%0.583SS.*Hα-helixtrans-64.9-38.1174.8-159.40000111.4T261 W263 V268 N269T261-S265 WeakPolarHBondContact O-CB 3.31Å; T261-S265 PolarHBondContact O-N 2.88Å; W263-S265 VanDerWaalsContact C-N 3.3Å; W263-S265 PolarHBondContact O-N 3.19Å; S265-V268 PolarHBondContact O-N 2.76Å; S265-N269 WeakPolarHBondContact O-CB 3.3Å; S265-N269 PolarHBondContact O-N 3.09Å
266S79.5Confident72.8Confident42 Ų42116.5 Ų116.529%0.29458%0.576SS.*Hα-helixtrans-63.9-39.3170.2-167.60000112.3P262 W263 E264 R270P262-S266 VanDerWaalsContact O-CB 3.32Å; P262-S266 WeakPolarHBondContact O-CB 3.36Å; P262-S266 PolarHBondContact O-N 3.24Å; W263-S266 CarbonylContact O-C 3.59Å; W263-S266 WeakPolarHBondContact O-CA 3.48Å; W263-S266 WeakPolarHBondContact O-CB 3.44Å; W263-S266 PolarHBondContact O-N 3.13Å; W263-S266 VanDerWaalsContact O-N 3.13Å; E264-S266 VanDerWaalsContact C-N 3.34Å; S266-R270 WeakPolarHBondContact O-CB 3.26Å; S266-R270 WeakPolarHBondContact O-CD 3.24Å; S266-R270 WeakPolarHBondContact O-CG 3.31Å; S266-R270 PolarHBondContact O-N 2.84Å; S266-R270 PolarHBondContact OG-NE 3.5Å; S266-R270 VanDerWaalsContact OG-NE 3.15Å
267M79.6Confident73.4Confident83 Ų83108.4 Ų108.441%0.40956%0.557SS.*Hα-helixtrans-65.6-45.3175.1-69.5-159.4-61.200112.2W263 E264 N269 R270 L271W263-M267 HydrophobicContact CD2-CE 4.21Å; W263-M267 HydrophobicContact CD2-SD 4.39Å; W263-M267 HydrophobicContact CE3-CE 3.74Å; W263-M267 HydrophobicContact CE3-SD 4.46Å; W263-M267 HydrophobicContact CH2-CE 3.42Å; W263-M267 VanDerWaalsContact CH2-CE 3.42Å; W263-M267 HydrophobicContact CH2-SD 3.59Å; W263-M267 VanDerWaalsContact CH2-SD 3.59Å; W263-M267 HydrophobicContact CZ2-CE 3.9Å; W263-M267 HydrophobicContact CZ2-CG 4.39Å; W263-M267 HydrophobicContact CZ2-SD 3.48Å; W263-M267 WeakPolarHBondContact CZ2-SD 3.4Å; W263-M267 HydrophobicContact CZ3-CE 3.32Å; W263-M267 HydrophobicContact CZ3-SD 4.09Å; W263-M267 PolarHBondContact O-N 3.13Å; E264-M267 HydrophobicContact CG-CE 4.44Å; E264-M267 PolarHBondContact O-N 3.22Å; M267-N269 PolarHBondContact O-N 2.92Å; M267-R270 PolarHBondContact O-N 3.27Å; M267-L271 VanDerWaalsContact O-CB 3.31Å; M267-L271 WeakPolarHBondContact O-CB 3.18Å; M267-L271 PolarHBondContact O-N 3.44Å
268V83.3Confident73.7Confident43 Ų43107.6 Ų107.626%0.26156%0.555SS.*Hα-helixtrans-60-45.9176.3171.50000110.4L260 E264 S265 L271 Q272L260-V268 HydrophobicContact CD1-CG2 4.28Å; E264-V268 WeakPolarHBondContact O-CG2 3.4Å; E264-V268 PolarHBondContact O-N 3.26Å; S265-V268 PolarHBondContact O-N 2.76Å; V268-L271 PolarHBondContact O-N 2.89Å; V268-Q272 HydrophobicContact CG1-CG 4.31Å; V268-Q272 WeakPolarHBondContact O-CB 3.37Å; V268-Q272 WeakPolarHBondContact O-CG 3.47Å; V268-Q272 PolarHBondContact O-N 3.42Å
269N76.8Confident73.4Confident86 Ų86104.9 Ų104.946%0.4654%0.541SS..Hα-helixtrans-64-41.6176.6-73.9-6.6000112.5S265 M267 L271 Q272 Q273S265-N269 WeakPolarHBondContact O-CB 3.3Å; S265-N269 PolarHBondContact O-N 3.09Å; M267-N269 PolarHBondContact O-N 2.92Å; N269-L271 PolarHBondContact O-N 2.86Å; N269-Q272 PolarHBondContact O-N 2.84Å; N269-Q273 VanDerWaalsContact O-CB 3.31Å; N269-Q273 WeakPolarHBondContact O-CB 3.25Å; N269-Q273 VanDerWaalsContact O-CG 3.26Å; N269-Q273 WeakPolarHBondContact O-CG 3.36Å; N269-Q273 PolarHBondContact O-N 3.3Å
270R78.4Confident72.6Confident170 Ų170101.8 Ų101.864%0.64253%0.525SS*.Hα-helixtrans-64.3-26.3174.9-73.3165.3-169.9-108.93.5113.4S266 M267S266-R270 WeakPolarHBondContact O-CB 3.26Å; S266-R270 WeakPolarHBondContact O-CD 3.24Å; S266-R270 WeakPolarHBondContact O-CG 3.31Å; S266-R270 PolarHBondContact O-N 2.84Å; S266-R270 PolarHBondContact OG-NE 3.5Å; S266-R270 VanDerWaalsContact OG-NE 3.15Å; M267-R270 PolarHBondContact O-N 3.27Å
271L76.8Confident71.7Confident156 Ų156109.1 Ų109.182%0.81755%0.549SS*.Hα-helixtrans-91.2-26.4-179.8-162.869000112.6M267 V268 N269M267-L271 VanDerWaalsContact O-CB 3.31Å; M267-L271 WeakPolarHBondContact O-CB 3.18Å; M267-L271 PolarHBondContact O-N 3.44Å; V268-L271 PolarHBondContact O-N 2.89Å; N269-L271 PolarHBondContact O-N 2.86Å
272Q76.1Confident70.3Confident146 Ų146108.9 Ų108.968%0.68255%0.549SS*.Hα-helixtrans-87.6-24.3174.1-71.5-175.8-30.300113.2V268 N269V268-Q272 HydrophobicContact CG1-CG 4.31Å; V268-Q272 WeakPolarHBondContact O-CB 3.37Å; V268-Q272 WeakPolarHBondContact O-CG 3.47Å; V268-Q272 PolarHBondContact O-N 3.42Å; N269-Q272 PolarHBondContact O-N 2.84Å
273Q73.5Confident69.2Low131 Ų131113.1 Ų113.161%0.61255%0.55SS*.SBendtrans-69.1129.2168.7-78.7177.5-18.700110.4N269 T275N269-Q273 VanDerWaalsContact O-CB 3.31Å; N269-Q273 WeakPolarHBondContact O-CB 3.25Å; N269-Q273 VanDerWaalsContact O-CG 3.26Å; N269-Q273 WeakPolarHBondContact O-CG 3.36Å; N269-Q273 PolarHBondContact O-N 3.3Å; Q273-T275 PolarHBondContact O-N 2.85Å
274P64.4Low67.9Low92 Ų92109.5 Ų109.560%0.59755%0.552SS**  trans-62100.2174.2-23.734.9000111.1Y278P274-Y278 HydrophobicContact CB-CD1 4.47Å
275T68.6Low66.1Low77 Ų77109.7 Ų109.747%0.47257%0.566SS.*  trans-63.3153.117645.70000110.8Q273 S277 Y278 L279Q273-T275 PolarHBondContact O-N 2.85Å; T275-S277 PolarHBondContact O-N 2.95Å; T275-S277 PolarHBondContact OG1-OG 3.31Å; T275-Y278 WeakPolarHBondContact O-CB 3.49Å; T275-Y278 PolarHBondContact O-N 3.5Å; T275-L279 PolarHBondContact O-N 3.46Å
276H52.6Low64.2Low163 Ų163115.6 Ų115.676%0.75559%0.591SS**Hα-helixtrans-56.8-22.2-175.5-166.2-53.7000113.3A280H276-A280 WeakPolarHBondContact O-CB 3.44Å; H276-A280 PolarHBondContact O-N 3.39Å
277S58.7Low62.8Low76 Ų76118.8 Ų118.853%0.53161%0.614SS.*Hα-helixtrans-69.6-33172.3500000113.8T275 R281T275-S277 PolarHBondContact O-N 2.95Å; T275-S277 PolarHBondContact OG1-OG 3.31Å; S277-R281 PolarHBondContact O-N 2.89Å; S277-R281 VanDerWaalsContact O-N 3.13Å
278Y60.6Low61Low171 Ų171122.7 Ų122.767%0.67164%0.635SS**Hα-helixtrans-70.8-45.4175-163.3-95.9000110.6P274 T275 R281 S282P274-Y278 HydrophobicContact CB-CD1 4.47Å; T275-Y278 WeakPolarHBondContact O-CB 3.49Å; T275-Y278 PolarHBondContact O-N 3.5Å; Y278-R281 PolarHBondContact O-N 3.45Å; Y278-S282 PolarHBondContact O-N 3.03Å; Y278-S282 PolarHBondContact O-OG 3.43Å
279L61.3Low58.8Low96 Ų96126.5 Ų126.550%0.50366%0.663SS.*Hα-helixtrans-63.3-38.8172.3-85.1159.6000113T275 R281 S282 R283T275-L279 PolarHBondContact O-N 3.46Å; L279-R281 VanDerWaalsContact C-N 3.32Å; L279-R281 PolarHBondContact O-N 2.79Å; L279-S282 PolarHBondContact O-OG 3.27Å; L279-R283 PolarHBondContact O-N 2.67Å
280A55.8Low57.2Low55 Ų55125.1 Ų125.146%0.45567%0.67SS.*Hα-helixtrans-66.4-33176.300000112.6H276H276-A280 WeakPolarHBondContact O-CB 3.44Å; H276-A280 PolarHBondContact O-N 3.39Å
281R58.3Low55.6Low215 Ų215126 Ų12681%0.81168%0.681SS**Hα-helixtrans-80.5-34.7175.8-79.6-177.2167.9174-3.2113.6S277 Y278 L279 R283 S284S277-R281 PolarHBondContact O-N 2.89Å; S277-R281 VanDerWaalsContact O-N 3.13Å; Y278-R281 PolarHBondContact O-N 3.45Å; L279-R281 VanDerWaalsContact C-N 3.32Å; L279-R281 PolarHBondContact O-N 2.79Å; R281-R283 VanDerWaalsContact C-N 3.35Å; R281-R283 PolarHBondContact O-N 3.21Å; R281-S284 PolarHBondContact O-N 3.45Å
282S51.6Low53.7Low59 Ų59127.4 Ų127.441%0.41368%0.683SS.*Hα-helixtrans-68.4-31.6-17964.60000113.3Y278 L279 S284 A285Y278-S282 PolarHBondContact O-N 3.03Å; Y278-S282 PolarHBondContact O-OG 3.43Å; L279-S282 PolarHBondContact O-OG 3.27Å; S282-S284 VanDerWaalsContact C-N 3.27Å; S282-S284 PolarHBondContact O-N 3.07Å; S282-A285 PolarHBondContact O-N 3.46Å
283R55.4Low52.2Low211 Ų211126.5 Ų126.580%0.79669%0.693SS**G310 helixtrans-71.3-15178.5-64.9-15975.7176.54114.8L279 R281 A285L279-R283 PolarHBondContact O-N 2.67Å; R281-R283 VanDerWaalsContact C-N 3.35Å; R281-R283 PolarHBondContact O-N 3.21Å; R283-A285 VanDerWaalsContact C-N 3.3Å
284S46Very low50.4Low105 Ų105126.3 Ų126.373%0.73470%0.701SS**G310 helixtrans-81.5-4.1175.4-58.60000114.3R281 S282R281-S284 PolarHBondContact O-N 3.45Å; S282-S284 VanDerWaalsContact C-N 3.27Å; S282-S284 PolarHBondContact O-N 3.07Å
285A48.5Very low49.1Very low79 Ų79126.6 Ų126.665%0.65371%0.705SS**G310 helixtrans-100-10.4-176.700000114.7S282 R283S282-A285 PolarHBondContact O-N 3.46Å; R283-A285 VanDerWaalsContact C-N 3.3Å
286M43.5Very low47.6Very low171 Ų171127.5 Ų127.584%0.84271%0.713SS**SBendtrans-102.847.7-176.5-66.8-153.574.200113.3
287S48.1Very low46.8Very low110 Ų110127.8 Ų127.877%0.76972%0.715SS**SBendtrans-149.331.5175.1-610000113.2
288L42.7Very low46.1Very low165 Ų165130.3 Ų130.386%0.86473%0.729SS**SBendtrans-138.3124.7166.7-74.5178000110.1
289S37.4Very low45Very low122 Ų122130.9 Ų130.985%0.85374%0.74SS**  trans53.9131.7167.8-142.90000119.6
290G43.7Very low43.7Very low57 Ų57129.5 Ų129.559%0.58875%0.749SS**SBendtrans-72.4175.8147.300000110.9
291E43.5Very low42.9Very low190 Ų190131.7 Ų131.789%0.88877%0.767SS**  trans54.574.5174.2-59-163.5161.800116.6
292Q36.5Very low41.8Very low184 Ų184128 Ų12886%0.8677%0.768SS**  -164.8127.3111.6-104.4164.236.900112V294Q292-V294 HydrophobicContact CB-CG2 4.46Å
293S45.7Very low41Very low128 Ų128130.5 Ų130.590%0.89579%0.786SS**  trans-82.7112.7169.437.80000109.6
294V34.8Very low39.9Very low126 Ų126129.5 Ų129.576%0.76479%0.788SS**  trans-124.5128.2172.2-1640000109.1Q292Q292-V294 HydrophobicContact CB-CG2 4.46Å
295S37.7Very low39.6Very low98 Ų98133 Ų13369%0.68579%0.79SS**  trans-64153.6-173.8-1730000112.7
296C36.5Very low39Very low96 Ų96135.4 Ų135.465%0.64980%0.796SS**  trans-64.9154.6160.362.80000110.9
297H36.5Very low38.7Very low170 Ų170134.9 Ų134.979%0.78780%0.796SS**  trans169.2121.3138.7-82.2-0.9000109.9
298P43.4Very low38.2Very low128 Ų128138.5 Ų138.583%0.83180%0.801SS**  trans-105.5111172.734.3-25.4000111.8
299M38.9Very low37.8Very low183 Ų183134.9 Ų134.990%0.90180%0.795SS**  trans-138.6151174.2-88.6-11261.100113.3
300G33.2Very low37.6Very low67 Ų67137.6 Ų137.669%0.69179%0.794SS**  trans-61.3162.3-169.500000117.6
301A38.3Very low37Very low102 Ų102141.7 Ų141.784%0.84381%0.807SS**  trans-83.2141.4179.300000112.8
302V35.3Very low36.6Very low136 Ų136139.7 Ų139.782%0.82480%0.802SS**  trans-152.9155.3155.9-89.80000111.5
303S34.3Very low37.6Very low113 Ų113136 Ų13679%0.7980%0.795SS**  trans56.5108.2156.654.40000121.4
304F33.4Very low36.8Very low189 Ų189137.9 Ų137.983%0.82979%0.788SS**  trans-37.7151.8154-110.6-107.4000118.5
305K38.7Very low36.4Very low179 Ų179136.5 Ų136.578%0.77878%0.784SS**  trans71.1149.3167-50.3-169.6-174.8-1760114.6
306T36.8Very low36Very low129 Ų129143.3 Ų143.379%0.79179%0.794SS**  cis-139.6170.125.2-55.40000112.8
307L36.2Very low35.7Very low161 Ų161143.2 Ų143.284%0.84379%0.794SS**  trans-53.9152.5169.3-60.3151000112.5
308Q38.3Very low35.7Very low185 Ų185144.3 Ų144.386%0.86480%0.8SS**  168142.699.8-173.3159.616.600113.8
309A33.7Very low35.1Very low90 Ų90144.3 Ų144.374%0.74479%0.793SS**  trans53.7122.4158.100000122
310Q34.4Very low35.1Very low178 Ų178147.3 Ų147.383%0.83279%0.794SS**  trans-61152.1146.7-63.5-162.930.100112.3
311V30.2Very low35.2Very low143 Ų143150 Ų15087%0.86779%0.793SS**  trans-147.4123.3134.6177.50000110.2
312L36.1Very low35.3Very low148 Ų148151.9 Ų151.978%0.77579%0.788SS**  trans-101160154.4-144.765.2000105.4
313P56.3Low35.1Very low108 Ų108151 Ų15170%0.70179%0.788SS**  cis-154.4-166.92637.7-11.7000118.3
314H29.4Very low35.1Very low166 Ų166154 Ų15477%0.76978%0.782SS**  trans111.9107.2131.4-145.871.5000120.4
315C27.3Very low35Very low98 Ų98150.6 Ų150.666%0.66277%0.769SS**  trans39.2133.4141.2-61.30000123.1
316R29.5Very low34.7Very low241 Ų241149.9 Ų149.991%0.90977%0.765SS**  -160.2150.6101.9-114.5175.7174.4165-1.7116.2
317S30.1Very low34.4Very low93 Ų93148.2 Ų148.265%0.6577%0.765SS**  trans-34.6149.9168.452.40000119.9
318Q35.1Very low34.5Very low194 Ų194146.1 Ų146.191%0.90776%0.763SS**  -157.5153.7111.9-126177.46.800113.9
319D31.3Very low35.3Very low128 Ų128142.9 Ų142.968%0.68476%0.758SS**  trans-91.4149.9-172.1-53.9-106.2000114.6
320R38.3Very low35.3Very low245 Ų245142.9 Ų142.993%0.92576%0.758SS**  -169.3103.2121.9-108.1173.3179.6-167.1-1.5115.7
321N35.5Very low35.4Very low124 Ų124139.8 Ų139.866%0.66376%0.757SS**  -11148.5123.9-72.6-58.5000116.1
322L40.3Very low35.5Very low142 Ų142137.6 Ų137.674%0.74375%0.754SS**  cis-168.2146.415.5-119.5163.2000111.5
323S32.8Very low35.4Very low116 Ų116135 Ų13581%0.81175%0.753SS**  trans175.297.8140.1-167.30000108.7
324R34.2Very low34.5Very low176 Ų176135.3 Ų135.366%0.66475%0.753SS**  84.493.267.8-174.7170.5-78.9-94.78.2114.4
325E30.1Very low34.7Very low119 Ų119138.2 Ų138.256%0.55676%0.757SS**  trans65159.4138.9-65.5-177.7131.700120
326K33.7Very low34.9Very low164 Ų164142.7 Ų142.771%0.71376%0.76SS**  cis-151.2132.1-9.7-120162.2171.8150.50107
327A29.5Very low35.2Very low94 Ų94140.6 Ų140.678%0.77775%0.752SS**  75.4141.692.700000117.5
328S37.8Very low35.7Very low116 Ų116141.4 Ų141.481%0.81175%0.754SS**  trans-87.5-157.4174.2-37.60000110.4
329P56.2Low35.6Very low117 Ų117138.7 Ų138.776%0.7675%0.75SS**  cis-145.2-168.5643.5-22.2000117.4
330A33.3Very low35.8Very low90 Ų90135.6 Ų135.674%0.74475%0.749SS**  trans69.3172143.500000121
331S36.1Very low35.5Very low114 Ų114130.5 Ų130.580%0.79775%0.745SS**  cis-174.2132.4-49.263.70000113.3
332A33.1Very low35.4Very low97 Ų97131.8 Ų131.880%0.80275%0.749SS**  trans-174.7138.6158.600000108.8
333A34.2Very low34.9Very low92 Ų92132 Ų13276%0.7675%0.746SS**  cis74.8128.447.800000112.8
334T36Very low34.7Very low115 Ų115134.1 Ų134.171%0.70674%0.743SS**  -170.9131.450.2-62.50000115.5
335R33.8Very low34.5Very low227 Ų227133.7 Ų133.786%0.85775%0.746SS**  trans66.6166.2157-68.3172.9-171.7-126.4-1118
336R33.3Very low34.5Very low193 Ų193132.9 Ų132.973%0.72875%0.745SS**  cis-158.6122.822.7-157.1-173.9-132.8-148.59.3115.7
337R35.7Very low34.6Very low197 Ų197133.8 Ų133.874%0.74374%0.744SS**  trans61.6158.4155.3-85.1-173.3-97.8-151.5-4.5118.6
338T38.7Very low34.9Very low110 Ų110134.7 Ų134.768%0.67574%0.736SS**  cis-150.9152.410.2-14.80000112.5
339T34.4Very low34.6Very low136 Ų136134.4 Ų134.483%0.83473%0.734SS**  trans24.8141150.549.80000122.5
340G34.4Very low33.4Very low64 Ų64134 Ų13466%0.6673%0.729SS**  cis162.2171-0.700000113.5
341T33.5Very low33.6Very low137 Ų137139.5 Ų139.584%0.8473%0.73SS**  trans49.197.2154.8-18.10000118.5
342M32.2Very low33.8Very low151 Ų151143.2 Ų143.274%0.74473%0.732SS**  79.2141.475.8-74.7-104.669.900117.2
343Q30.1Very low33.8Very low148 Ų148144 Ų14469%0.69273%0.732SS**  trans70.8161.9172.2-46.8-51.4-23.800116.8
344H28.8Very low33.8Very low159 Ų159151.1 Ų151.174%0.73674%0.74SS**  cis-173.2162-45.1-156.5-73.4000107
345K30.4Very low33.8Very low168 Ų168150.6 Ų150.673%0.7374%0.741SS**  trans87.8115.2142.1-159.1145.3-177.4-177.30121.8
346D29.6Very low33.8Very low102 Ų102146.8 Ų146.855%0.54574%0.737SS.*  trans86.5154.8136.1-102.9-57.5000124.9
347R36Very low33.9Very low183 Ų183144.8 Ų144.869%0.69174%0.74SS**  trans60.692.7160.4-65.5-54.4101.9178.79.7121
348D36.1Very low33.8Very low113 Ų113140.6 Ų140.660%0.60474%0.741SS**  55116108.3-58.3-1000121.9
349S31.3Very low33.9Very low109 Ų109143 Ų14376%0.76275%0.749SS**  116.3130.5115.375.90000121.5
350V31.5Very low34.5Very low108 Ų108142.1 Ų142.166%0.65575%0.745SS**  trans63.988.7139.9179.20000118.9
351R37.3Very low34.4Very low206 Ų206147.4 Ų147.478%0.77776%0.757SS**  -174.4146.8114.5-104.4152-103.4-124.9-5.7115.1
352K39.2Very low34.6Very low192 Ų192145.1 Ų145.184%0.83575%0.752SS**  18.4144.1126.5-49.8176.8-171.7-175.90117.2
353S32.8Very low35.4Very low115 Ų115143.8 Ų143.880%0.80476%0.755SS**  cis-161.6-1683.7-156.10000109.8
354W34.7Very low35.5Very low241 Ų241142.4 Ų142.491%0.91376%0.757SS**  trans-75171.9177.8-59.7-45.4000116.1
355S36.4Very low35.9Very low104 Ų104142 Ų14273%0.72776%0.759SS**  trans80.2132.3165.4-46.60000115.3
356N33.4Very low36.1Very low147 Ų147140 Ų14079%0.78676%0.761SS**  cis-147.4-177.938.1-79.9-69.5000115.2
357L36.1Very low36.7Very low151 Ų151142.8 Ų142.879%0.79178%0.775SS**  trans-44159.5176.2-68.152.4000114.5
358S33.8Very low37.3Very low109 Ų109139.7 Ų139.776%0.76278%0.779SS**  cis-160.1168.443.9-57.40000114
359L39.5Very low37.7Very low161 Ų161140.2 Ų140.284%0.84379%0.788SS**  trans-82.7163.2166.4-65.876000110.9
360P47.8Very low37.8Very low116 Ų116141.3 Ų141.375%0.75379%0.785SS**  -148.9157.39336.9-19.3000117.7
361L31.4Very low38Very low175 Ų175145.4 Ų145.492%0.91680%0.795SS**  trans67143157.5-9560.2000121.2
362A38.8Very low37.7Very low89 Ų89141.3 Ų141.374%0.73680%0.797SS**  trans-126.9161.3174.700000110.3
363P47.6Very low37.6Very low123 Ų123137.6 Ų137.680%0.79980%0.796SS**  -151.6-179.5100.537.4-19.2000115.2
364V33.9Very low37.6Very low119 Ų119140.2 Ų140.272%0.72180%0.799SS**  cis-166.9145.8-36.5144.40000106.6
365L36.1Very low37.7Very low152 Ų152134.4 Ų134.480%0.79680%0.795SS**  trans65.4152.2178.8-64.9160.7000115.3
366T35.7Very low37.6Very low125 Ų125135 Ų13577%0.76780%0.8SS**  cis-145.1162.59-26.60000111.1
367L40.7Very low37.6Very low161 Ų161131.1 Ų131.184%0.84379%0.794SS**  trans-83.8152.4-178.6-69.183.3000114.9
368P49.6Very low37.8Very low118 Ų118133.7 Ų133.777%0.76680%0.799SS**  trans-130.3163.2132.635.8-24.6000113.5
369P45Very low37.9Very low123 Ų123137.9 Ų137.980%0.79980%0.803SS**  trans-95.5154.7-161.536.1-36.7000115.9
370N33.5Very low37.7Very low132 Ų132134.9 Ų134.971%0.70680%0.796SS**  trans-140.9104.5165.1-119.7-32.7000112.7S372N370-S372 PolarHBondContact O-N 3.34Å
371K34.4Very low36.8Very low195 Ų195136.9 Ų136.985%0.84880%0.8SS**  trans4570138.3-56.1169.8-168.1163.90117.6
372S31.7Very low36.8Very low119 Ų119138.7 Ų138.783%0.83280%0.801SS**PPolyproline II helixtrans-75.2145.8153.246.80000110.8N370N370-S372 PolarHBondContact O-N 3.34Å
373S36.8Very low36.5Very low115 Ų115139 Ų13980%0.80480%0.803SS**PPolyproline II helixtrans-75.9147.217644.60000111.8
374I33.5Very low35.8Very low169 Ų169139.5 Ų139.587%0.86780%0.804SS**PPolyproline II helixtrans-69.8130.3-177.5-62.9165.1000110.8
375S35.4Very low36Very low119 Ų119139 Ų13983%0.83280%0.803SS**  trans-151.799.1164.6150.50000112
376S34.8Very low36.5Very low118 Ų118138 Ų13883%0.82581%0.806SS**  trans-162.1144.7154.363.50000109.6
377G34.2Very low36.1Very low65 Ų65138.2 Ų138.267%0.6781%0.813SS**  cis173.4138.4-15.400000114.1
378K40.1Very low35.9Very low204 Ų204135.5 Ų135.589%0.88781%0.813SS**  trans67.3160.8168.3-72.5170.9176.1170.50118.5
379K36.3Very low35Very low197 Ų197133.7 Ų133.786%0.85782%0.817SS**  trans59.3138.4156.455.9179.6171.1-1800119.3
380S33.7Very low34.6Very low98 Ų98137.6 Ų137.669%0.68582%0.815SS**  cis-173.1152.9-13.748.10000111.4
381N30.3Very low35.1Very low159 Ų159137.2 Ų137.285%0.8582%0.82SS**  trans31.3120.5151.5-55.5-13.6000120.9
382K31.2Very low35.8Very low212 Ų212132 Ų13292%0.92281%0.806SS**  176.6157.199.7-166.6158.7-177.31750111.6
383A32.3Very low36Very low96 Ų96135.2 Ų135.279%0.79381%0.808SS**PPolyproline II helixtrans-71.6160.3-165.600000117.3
384T32.8Very low36Very low133 Ų133138.9 Ų138.982%0.81681%0.81SS**PPolyproline II helixtrans-97.2140.4170.4-47.30000110.5
385P36.9Very low36Very low109 Ų109136.3 Ų136.371%0.70880%0.802SS**PPolyproline II helixtrans-78.7157172.932.9-35.7000112.8
386P48.1Very low35.9Very low130 Ų130139 Ų13984%0.84481%0.806SS**PPolyproline II helixtrans-81160.6177.134.3-35.7000112.8
387S27.7Very low35.6Very low130 Ų130137.4 Ų137.491%0.90981%0.808SS**  trans-130.4150.1168-1720000110.3
388A36.1Very low35.5Very low104 Ų104145.6 Ų145.686%0.8682%0.819SS**  trans-108.2154.3-17200000113
389G30.5Very low36.3Very low81 Ų81140.3 Ų140.384%0.83581%0.805SS**  trans-146.6139.4171.400000110.2
390R37.2Very low36.9Very low204 Ų204136.2 Ų136.277%0.7780%0.799SS**  trans-129.6155.6-164-165.7-165.5176.3-165.43.1111.2
391P42.6Very low37.2Very low124 Ų124137.9 Ų137.981%0.80581%0.805SS**  -130.6167.1127.51012.1000114.4
392P50.1Low37.9Very low86 Ų86135.3 Ų135.356%0.55880%0.797SS**  trans-122.4165.2-162.742-30.8000116.2
393Q35.9Very low38.1Very low187 Ų187134.2 Ų134.287%0.87479%0.792SS**  trans-149.2178.4142-82.5-138.7-18.300111.3
394K35.6Very low38.1Very low192 Ų192136.8 Ų136.884%0.83579%0.792SS**  trans-108.3173.5-178.6-57.8171.8-177.7175.20108.4
395T34.4Very low38.2Very low115 Ų115137.5 Ų137.571%0.70679%0.79SS**  cis-171.3159.746.244.50000112.8
396L32.6Very low38.1Very low175 Ų175140.5 Ų140.592%0.91679%0.792SS**  trans56.4146.6150-90.772.1000121.3
397G29.1Very low37.3Very low84 Ų84138.9 Ų138.987%0.86678%0.783SS**  trans139.7100.1154.200000119
398R33Very low38.4Very low238 Ų238138.6 Ų138.690%0.89878%0.778SS**  trans-138.8161.7156.7-148.5-149.6168.9-141.4-0.4105
399P56.8Low38Very low93 Ų93139.3 Ų139.360%0.60477%0.772SS**  cis-130.9-138.1-1.245.5-25.6000110.2
400P48Very low38.1Very low111 Ų111141 Ų14172%0.72177%0.771SS**  cis-123.8-174.3-33.438-21.2000113.6
401T39.8Very low37.8Very low132 Ų132138.2 Ų138.281%0.8177%0.771SS**  trans-88.6160.116751.90000112.3
402P45Very low37.7Very low106 Ų106139.2 Ų139.269%0.68877%0.77SS**  -159.1138.7116.735.3-14.2000120.4
403K35.4Very low37.8Very low189 Ų189140.6 Ų140.682%0.82278%0.779SS**  74.4161.5129.8-64.6176.9-180179.10124.5
404L32.6Very low37.5Very low150 Ų150135.5 Ų135.579%0.78578%0.776SS**  trans76.8148164.5-54.3122000116.4
405L35.2Very low37.5Very low147 Ų147133.2 Ų133.277%0.7777%0.774SS**  cis-166.2175.1-21.8-89.8179.5000107.4
406K34.6Very low37.6Very low173 Ų173136.1 Ų136.175%0.75278%0.784SS**  cis179132.1-47.1168.2137.5159.4168.20111.7
407S31.6Very low37.9Very low95 Ų95138.3 Ų138.366%0.66478%0.78SS**  trans63.1167.8165.139.60000118
408P51Low38.5Very low124 Ų124140.1 Ų140.181%0.80578%0.776SS**  cis-96.2165.21.69.114.3000113.7
409V27.6Very low38.5Very low119 Ų119135.2 Ų135.272%0.72177%0.772SS**  cis95.5115.628.6174.70000115
410S31.8Very low37.2Very low117 Ų117142 Ų14282%0.81879%0.786SS**  trans-173.1149.5137.4-88.20000110.5
411D31.8Very low36.5Very low145 Ų145143.3 Ų143.378%0.77579%0.792SS**  trans-87.6160.2-167.7-48.5-91.4000112.9
412D39.4Very low36.3Very low145 Ų145143 Ų14378%0.77579%0.789SS**  cis71.5143.939.7-157.258.9000114.2
413P53.1Low36Very low115 Ų115144.1 Ų144.175%0.74780%0.797SS**  cis-125.4178.2-3.718.96.4000116.3
414G29.2Very low35.7Very low80 Ų80142.8 Ų142.883%0.82579%0.794SS**  trans-169.2116.316400000114.7
415N34.8Very low35.6Very low145 Ų145143 Ų14378%0.77579%0.79SS**  trans-134.6116.5-169.5170.729.1000113.2
416L37.5Very low35.4Very low175 Ų175141.2 Ų141.292%0.91679%0.79SS**  trans-145.4146.3168.4-72.6178.2000112.1
417R39.3Very low35.3Very low222 Ų222141.7 Ų141.784%0.83880%0.795SS**  trans-107.1154.7166.4-61.8178.4179.8164.4-1.4109.4
418P42.3Very low35.5Very low122 Ų122142.9 Ų142.979%0.79280%0.8SS**  -129.1147.897.85.317.1000112.1
419V31.4Very low34.5Very low134 Ų134142.2 Ų142.281%0.81280%0.799SS**  74.3139.568.9-178.70000113.7
420R30.2Very low34.5Very low237 Ų237143.1 Ų143.189%0.89481%0.805SS**  trans-121.2123.4-160.5169-162.5-172.5-176.24.9110.8
421V32.9Very low35.4Very low138 Ų138142.8 Ų142.884%0.83680%0.8SS**  trans-145.7141.9163.9-147.60000110.5
422T35.6Very low35Very low124 Ų124142 Ų14276%0.76180%0.801SS**  trans-92.1155.6167.644.40000110.6
423P38.8Very low34.5Very low131 Ų131139.4 Ų139.485%0.85180%0.799SS**  -141.8-173.8110.538.4-24.7000114.5
424E28.4Very low33.6Very low161 Ų161138.3 Ų138.375%0.75280%0.8SS**  trans-95.1176.4-169.7-122.5-84.582.900114
425H30.5Very low34.3Very low153 Ų153139.8 Ų139.871%0.70880%0.795SS**  trans-12.5136.1166.7-98.681.5000119.9
426S31.8Very low34.2Very low110 Ų110140.9 Ų140.977%0.76979%0.793SS**  173.3161.7106.9-77.10000113
427Q32.1Very low33.8Very low183 Ų183139.2 Ų139.286%0.85578%0.78SS**  trans-110.3149173.8-64.2-152.7-7.900112.6
428P35.3Very low33.3Very low120 Ų120137 Ų13778%0.77978%0.779SS**  trans-107151.7161.636-27.6000112.7
429S30Very low32.6Very low110 Ų110134.8 Ų134.877%0.76978%0.778SS**  trans-156130.6167.7-710000111.2
430T27.8Very low32.6Very low138 Ų138136.9 Ų136.985%0.84778%0.78SS**  trans-155167.3177.653.80000108.6
431P50.5Low32.7Very low111 Ų111133.8 Ų133.872%0.72178%0.775SS**  cis-123179.32.242.7-28000113.1
432T24.3Very low32.7Very low129 Ų129135.1 Ų135.179%0.79177%0.772SS**  -168.412491.4-65.90000113.2
433A29.4Very low32.5Very low89 Ų89137 Ų13774%0.73677%0.773SS**  trans28.9119.4152.800000124.3
434A33.1Very low32Very low93 Ų93139.3 Ų139.377%0.76977%0.772SS**  79.1154.7124.100000121.9
435P44.5Very low32Very low111 Ų111134.6 Ų134.672%0.72177%0.767SS**  cis-143.6145.1-38.937.1-19.7000117.9
436K32.4Very low31.9Very low167 Ų167137.6 Ų137.673%0.72678%0.778SS**  trans63.1159.8140-56.8179.789.4-133.70123.9
437E30.2Very low31.7Very low141 Ų141139.8 Ų139.866%0.65978%0.779SS**  trans73.4144.8157.9-39.8-163.3173.100117.4
438E28Very low31.6Very low175 Ų175141 Ų14182%0.81878%0.782SS**  cis-163.8166.7-28.8-116.9163.8-136.600107.7
439G28.2Very low31.2Very low75 Ų75140.6 Ų140.677%0.77378%0.782SS**  trans146.5145.7171.900000116.2
440E31.2Very low31.8Very low179 Ų179140.5 Ų140.584%0.83678%0.779SS**  trans-129.2160.9-168.6-63167.5129.800111.7
441E32.4Very low32.2Very low172 Ų172140 Ų14080%0.80478%0.778SS**  trans64.2151.6156.9-69.9167.5-171.700118.5
442E31Very low31.3Very low166 Ų166143.7 Ų143.778%0.77679%0.786SS**  cis-154.4171.4-9.6-135.4-177.9176.400112.8
443E31.4Very low32Very low164 Ų164143.6 Ų143.677%0.76679%0.787SS**  trans67.8156.8151.7-112.4-166.9165.700126.8
444E28.6Very low31.8Very low178 Ų178150.8 Ų150.883%0.83280%0.795SS**  trans69.9159.8154.3-76.2-104.596.700123
445G28.9Very low32.3Very low63 Ų63152.1 Ų152.165%0.64980%0.796SS**  trans11226.2144.900000121.7I447G445-I447 PolarHBondContact O-N 3.33Å; G445-I447 VanDerWaalsContact O-N 3.1Å
446K27.8Very low31.5Very low216 Ų216155.6 Ų155.694%0.93980%0.803SS**  trans-7599.3-179-173.1177.1-179.7176.60114.3
447I27.9Very low32Very low155 Ų155153.8 Ų153.880%0.79581%0.808SS**  trans-128.4118.3168.8-56.3179.6000111.6G445G445-I447 PolarHBondContact O-N 3.33Å; G445-I447 VanDerWaalsContact O-N 3.1Å
448F30.2Very low32.1Very low208 Ų208155.6 Ų155.691%0.91282%0.821SS**  trans-153.2132.1162.9-114.7-81.3000110.3
449S27.9Very low32.2Very low112 Ų112150.7 Ų150.778%0.78382%0.817SS**  trans-173.5161.4176.6-83.90000110.5
450P42.8Very low32.3Very low109 Ų109155.1 Ų155.171%0.70882%0.818SS**  cis-123.3-173.5-19.938.5-22.9000111.8
451P35.6Very low32.4Very low127 Ų127154.3 Ų154.383%0.82582%0.819SS**  -132.5164.911536.7-29.2000113.9
452Q31.9Very low32.4Very low188 Ų188152.8 Ų152.888%0.87982%0.817SS**  trans-74.7146.5-168.9-65176.3-65.500114.6
453P38.1Very low33.5Very low127 Ų127150.4 Ų150.483%0.82582%0.816SS**  trans-88.2165.8176.836.1-36.1000114.1
454R25.9Very low34.4Very low240 Ų240148 Ų14891%0.90682%0.815SS**  trans-107.7129.2175.5-179.8-171.3-165.8168.45.7109.5
455P42.9Very low34.5Very low121 Ų121144.7 Ų144.779%0.78681%0.811SS**  trans-80.9145.3-176.431.2-34.7000113.5
456Q28.7Very low34.7Very low185 Ų185150.5 Ų150.586%0.86482%0.821SS**  trans-131.4145.2153.7-73.5-171.1-17.800108
457P42.3Very low35Very low129 Ų129144.4 Ų144.484%0.83881%0.811SS**  trans-85.6149.1-176.234.1-34.5000112.5
458L31.4Very low36.1Very low179 Ų179142.7 Ų142.794%0.93781%0.81SS**  trans-125.4144.3164.3-155.674.6000108.8
459G31.5Very low36.2Very low71 Ų71137 Ų13773%0.73280%0.802SS**  trans-90.1161-170.300000115.3
460E29.8Very low36.5Very low168 Ų168139.9 Ų139.979%0.78580%0.803SS**  trans-75.9150.2179.9-59.6154.9110.600113
461N33.2Very low36.2Very low162 Ų162139.9 Ų139.987%0.86680%0.8SS**  trans-147.5146.9150.9-84.7-78.2000107.8
462N32.1Very low36.2Very low140 Ų140141.3 Ų141.375%0.74980%0.801SS**  trans-110.1-163-168-57.5-82.5000112.4
463P55.7Low36.3Very low117 Ų117140.7 Ų140.776%0.7680%0.798SS**  -120.2-152-126.940.2-15.7000111.4
464P48.4Very low36.1Very low114 Ų114140.8 Ų140.874%0.7480%0.796SS**  -149.4-172.656.141.8-19.8000116.8
465S31Very low36.5Very low107 Ų107135.5 Ų135.575%0.74879%0.791SS**  trans67.5150.2168.1-900000118.4
466E33.3Very low36.1Very low186 Ų186135.4 Ų135.487%0.86979%0.793SS**  cis-144.9179.70-150.6152.9-151.600111.6
467A35.4Very low36.6Very low87 Ų87132.1 Ų132.172%0.71979%0.79SS**  trans-103.2-174.3-171.800000112.4
468P49.4Very low37Very low120 Ų120131.6 Ų131.678%0.77979%0.787SS**  cis-143.5-172.67.544.8-25.6000118.3
469A33.4Very low37.8Very low89 Ų89128.4 Ų128.474%0.73678%0.777SS**  trans81.4142.3154.100000118.4
470E33.9Very low38Very low172 Ų172130 Ų13080%0.80477%0.773SS**  cis-155.4171.6-7.3-141178.3-135.700111.9
471V35.3Very low38.6Very low109 Ų109131.5 Ų131.566%0.66178%0.78SS**  trans20.1129.8165.7-74.40000120.3
472N36.7Very low39.3Very low157 Ų157131.8 Ų131.884%0.8477%0.773SS**  cis-162.2168.149.9-111.6-37.9000113.3
473E34.1Very low40.2Very low175 Ų175131.3 Ų131.382%0.81878%0.778SS**  trans-85149.7-179.3-55.6-169.3154.300114.9
474T34Very low39.7Very low128 Ų128131.1 Ų131.179%0.78578%0.78SS**  -169.6122.2114.613.80000113.8
475T33.8Very low39.4Very low130 Ų130129.7 Ų129.780%0.79878%0.777SS**  trans30.2109.2145.759.50000120.7
476S35.1Very low40.2Very low119 Ų119128 Ų12883%0.83278%0.777SS**  158.9127.2104.1-169.90000113.9
477S38.3Very low41.1Very low115 Ų115123.4 Ų123.480%0.80476%0.761SS**  trans-175.9166.1171-800000107.2
478P50.2Low42.4Very low119 Ų119126.5 Ų126.577%0.77377%0.771SS**  cis-121.2-143.7-5.543.7-25.7000108.3
479P49.9Very low42.9Very low111 Ų111124 Ų12472%0.72175%0.752SS**  cis-131.3165-14.234.4-14.6000117.3
480T35.2Very low44.7Very low104 Ų104125 Ų12564%0.63875%0.75SS**  trans-52.7140.7163.7540000114.2
481Q41.4Very low46.7Very low200 Ų200123 Ų12394%0.93574%0.741SS**  trans-90.589.7145.7-72.8-167.2-0.900109.6
482K48.6Very low48.8Very low168 Ų168121.5 Ų121.573%0.7373%0.727SS**PPolyproline II helixtrans-74.5140.3155.5-63.8175.4-176.7177.10107S484K482-S484 PolarHBondContact O-N 3.4Å; K482-S484 VanDerWaalsContact O-N 3.12Å
483P51.2Low50.8Low131 Ų131116.4 Ų116.485%0.85171%0.707SS**PPolyproline II helixtrans-58.7120.9166.225.4-32000108.1
484S46.1Very low53.2Low113 Ų113111.7 Ų111.779%0.7969%0.693SS**PPolyproline II helixtrans-64.7159.3-177.2-167.20000111.6K482K482-S484 PolarHBondContact O-N 3.4Å; K482-S484 VanDerWaalsContact O-N 3.12Å
485A41.1Very low55.9Low84 Ų84113.2 Ų113.269%0.69468%0.684SS**  trans20.1115.6163.200000117.6T487A485-T487 PolarHBondContact O-N 3.46Å
486G48.4Very low58.5Low71 Ų71110.7 Ų110.773%0.73267%0.665SS**  trans-56.1132.9167.900000111T488G486-T488 PolarHBondContact O-N 3.44Å
487T52.7Low61Low90 Ų90109.3 Ų109.355%0.55265%0.648SS**  trans-64.3123.717954.90000109.4A485 D489 E492A485-T487 PolarHBondContact O-N 3.46Å; T487-D489 PolarHBondContact O-N 3.19Å; T487-E492 WeakPolarHBondContact CB-OE2 3.42Å; T487-E492 PolarHBondContact OG1-OE2 2.89Å
488T61.3Low63.6Low151 Ų151106.4 Ų106.493%0.92663%0.631SS**SBendtrans-82.249.9-175.450.20000111.7G486G486-T488 PolarHBondContact O-N 3.44Å
489D59.4Low65.6Low68 Ų68106.4 Ų106.436%0.36462%0.621SS.*  trans-126.9115.5171-176.9-7.8000109.4T487 E491 E492 A493T487-D489 PolarHBondContact O-N 3.19Å; D489-E491 PolarHBondContact O-N 3.47Å; D489-E491 WeakPolarHBondContact OD1-CB 3.49Å; D489-E491 PolarHBondContact OD1-N 3.3Å; D489-E492 HydrophobicContact CB-CB 4.43Å; D489-E492 HydrophobicContact CB-CG 4.12Å; D489-E492 PolarHBondContact O-N 3.25Å; D489-A493 PolarHBondContact O-N 2.96Å
490P72.6Confident67.7Low109 Ų109107.4 Ų107.471%0.70861%0.614SS**Hα-helixtrans-63.7-22.7177.727.8-35.4000113.6S494P490-S494 WeakPolarHBondContact O-CB 3.17Å; P490-S494 PolarHBondContact O-N 3.41Å; P490-S494 VanDerWaalsContact O-N 3.17Å
491E76Confident70.6Confident131 Ų131109.8 Ų109.861%0.61261%0.611SS**Hα-helixtrans-73.9-37.8178.3-64.3-155.4178.400112.5D489 S494 R495D489-E491 PolarHBondContact O-N 3.47Å; D489-E491 WeakPolarHBondContact OD1-CB 3.49Å; D489-E491 PolarHBondContact OD1-N 3.3Å; E491-S494 WeakPolarHBondContact O-CB 3.27Å; E491-S494 PolarHBondContact O-N 2.86Å; E491-R495 WeakPolarHBondContact O-CB 3.47Å; E491-R495 PolarHBondContact O-N 3.45Å
492E78.3Confident73.2Confident77 Ų77108.5 Ų108.536%0.3660%0.597SS.*Hα-helixtrans-64.6-46175.3-68.3-161.7142.800111.7T487 D489 S494 R495 I496T487-E492 WeakPolarHBondContact CB-OE2 3.42Å; T487-E492 PolarHBondContact OG1-OE2 2.89Å; D489-E492 HydrophobicContact CB-CB 4.43Å; D489-E492 HydrophobicContact CB-CG 4.12Å; D489-E492 PolarHBondContact O-N 3.25Å; E492-S494 VanDerWaalsContact C-N 3.27Å; E492-S494 PolarHBondContact O-N 2.96Å; E492-R495 WeakPolarHBondContact O-CB 3.37Å; E492-R495 PolarHBondContact O-N 3.26Å; E492-R495 VanDerWaalsContact O-N 3.1Å; E492-I496 WeakPolarHBondContact O-CG1 3.48Å; E492-I496 PolarHBondContact O-N 2.93Å
493A80.1Confident75.4Confident51 Ų51104.8 Ų104.842%0.42159%0.585SS.*Hα-helixtrans-59.3-39.617600000111.9D489 L497D489-A493 PolarHBondContact O-N 2.96Å; A493-L497 WeakPolarHBondContact O-CG 3.28Å; A493-L497 PolarHBondContact O-N 3.38Å; A493-L497 VanDerWaalsContact O-N 3.11Å
494S84Confident77.3Confident75 Ų75101.3 Ų101.352%0.52457%0.568SS.*Hα-helixtrans-64-43.6173.6-1710000112P490 E491 E492 L497 A498P490-S494 WeakPolarHBondContact O-CB 3.17Å; P490-S494 PolarHBondContact O-N 3.41Å; P490-S494 VanDerWaalsContact O-N 3.17Å; E491-S494 WeakPolarHBondContact O-CB 3.27Å; E491-S494 PolarHBondContact O-N 2.86Å; E492-S494 VanDerWaalsContact C-N 3.27Å; E492-S494 PolarHBondContact O-N 2.96Å; S494-L497 PolarHBondContact O-N 3.43Å; S494-A498 WeakPolarHBondContact O-CB 3.41Å; S494-A498 PolarHBondContact O-N 3.14Å
495R89.4Confident79.5Confident161 Ų161104.7 Ų104.761%0.60856%0.563SS**Hα-helixtrans-62.2-46177.9-165.6176.6-61.2165.76.6111.9E491 E492 L497 A498 E499E491-R495 WeakPolarHBondContact O-CB 3.47Å; E491-R495 PolarHBondContact O-N 3.45Å; E492-R495 WeakPolarHBondContact O-CB 3.37Å; E492-R495 PolarHBondContact O-N 3.26Å; E492-R495 VanDerWaalsContact O-N 3.1Å; R495-L497 VanDerWaalsContact C-N 3.33Å; R495-L497 PolarHBondContact O-N 3.42Å; R495-A498 PolarHBondContact O-N 3.22Å; R495-E499 WeakPolarHBondContact O-CB 3.37Å; R495-E499 PolarHBondContact O-N 3.22Å
496I88.4Confident82Confident76 Ų76103.4 Ų103.439%0.3954%0.542SS..Hα-helixtrans-62.6-38.6176.7-66.8164.1000111.2E492 K500E492-I496 WeakPolarHBondContact O-CG1 3.48Å; E492-I496 PolarHBondContact O-N 2.93Å; I496-K500 HydrophobicContact CG2-CD 4.09Å; I496-K500 WeakPolarHBondContact O-CB 3.34Å; I496-K500 VanDerWaalsContact O-CG 3.31Å; I496-K500 WeakPolarHBondContact O-CG 3.41Å; I496-K500 PolarHBondContact O-N 3.12Å
497L88.1Confident83.9Confident91 Ų91106.9 Ų106.948%0.47654%0.54SS..Hα-helixtrans-71.2-35.8174.8-73.1174000112.7A493 S494 R495 R501A493-L497 WeakPolarHBondContact O-CG 3.28Å; A493-L497 PolarHBondContact O-N 3.38Å; A493-L497 VanDerWaalsContact O-N 3.11Å; S494-L497 PolarHBondContact O-N 3.43Å; R495-L497 VanDerWaalsContact C-N 3.33Å; R495-L497 PolarHBondContact O-N 3.42Å; L497-R501 WeakPolarHBondContact O-CB 3.42Å; L497-R501 WeakPolarHBondContact O-CD 3.37Å; L497-R501 WeakPolarHBondContact O-CG 3.47Å; L497-R501 PolarHBondContact O-N 2.84Å
498A92.8Very high85.7Confident54 Ų54110.9 Ų110.945%0.44655%0.545SS..Hα-helixtrans-65.5-41.8173.400000111.7S494 R495 R501 R502S494-A498 WeakPolarHBondContact O-CB 3.41Å; S494-A498 PolarHBondContact O-N 3.14Å; R495-A498 PolarHBondContact O-N 3.22Å; A498-R501 PolarHBondContact O-N 3.28Å; A498-R502 PolarHBondContact O-N 3.46Å
499E92.5Very high87.2Confident119 Ų119109.7 Ų109.756%0.55653%0.529SS*.Hα-helixtrans-66-46.7176.1-176.3167.1-128.800112.1R495 R501 R502 L503R495-E499 WeakPolarHBondContact O-CB 3.37Å; R495-E499 PolarHBondContact O-N 3.22Å; E499-R501 VanDerWaalsContact C-N 3.27Å; E499-R501 PolarHBondContact O-N 3.12Å; E499-R502 WeakPolarHBondContact O-CA 3.21Å; E499-R502 WeakPolarHBondContact O-CB 3.41Å; E499-R502 PolarHBondContact O-N 2.93Å; E499-L503 HydrophobicContact CG-CD1 4.37Å; E499-L503 PolarHBondContact O-N 2.87Å
500K94.4Very high88.8Confident132 Ų132113.9 Ų113.957%0.57454%0.539SS*.Hα-helixtrans-59.8-36.1173.6-74.1174-179.7176.70112.4I496 A504I496-K500 HydrophobicContact CG2-CD 4.09Å; I496-K500 WeakPolarHBondContact O-CB 3.34Å; I496-K500 VanDerWaalsContact O-CG 3.31Å; I496-K500 WeakPolarHBondContact O-CG 3.41Å; I496-K500 PolarHBondContact O-N 3.12Å; K500-A504 WeakPolarHBondContact O-CB 3.48Å; K500-A504 PolarHBondContact O-N 2.83Å
501R96.3Very high89.7Confident154 Ų154115.2 Ų115.258%0.58154%0.536SS*.Hα-helixtrans-68.2-32172-71.9164.6-174.4161.92.2113L497 A498 E499 R505L497-R501 WeakPolarHBondContact O-CB 3.42Å; L497-R501 WeakPolarHBondContact O-CD 3.37Å; L497-R501 WeakPolarHBondContact O-CG 3.47Å; L497-R501 PolarHBondContact O-N 2.84Å; A498-R501 PolarHBondContact O-N 3.28Å; E499-R501 VanDerWaalsContact C-N 3.27Å; E499-R501 PolarHBondContact O-N 3.12Å; R501-R505 VanDerWaalsContact O-CG 3.31Å; R501-R505 WeakPolarHBondContact O-CG 3.18Å; R501-R505 PolarHBondContact O-N 3.41Å
502R95.3Very high90.4Very high172 Ų172112.8 Ų112.865%0.64953%0.525SS*.Hα-helixtrans-67.9-51.3172.3177.7-176.7170.5175.7-0.5110.5A498 E499 A504 R505 E506A498-R502 PolarHBondContact O-N 3.46Å; E499-R502 WeakPolarHBondContact O-CA 3.21Å; E499-R502 WeakPolarHBondContact O-CB 3.41Å; E499-R502 PolarHBondContact O-N 2.93Å; R502-A504 VanDerWaalsContact C-N 3.31Å; R502-A504 PolarHBondContact O-N 3.11Å; R502-R505 WeakPolarHBondContact O-CA 3.27Å; R502-R505 WeakPolarHBondContact O-CB 3.2Å; R502-R505 PolarHBondContact O-N 3.09Å; R502-E506 PolarHBondContact O-N 3.33Å
503L94.4Very high91.2Very high91 Ų91114.5 Ų114.548%0.47653%0.533SS..Hα-helixtrans-59.3-39.9178.7-67.4172.5000112.2E499 R505 E506 Q507E499-L503 HydrophobicContact CG-CD1 4.37Å; E499-L503 PolarHBondContact O-N 2.87Å; L503-R505 VanDerWaalsContact C-N 3.31Å; L503-R505 PolarHBondContact O-N 3.26Å; L503-E506 PolarHBondContact O-N 3.37Å; L503-Q507 WeakPolarHBondContact O-CB 3.48Å; L503-Q507 WeakPolarHBondContact O-CG 3.43Å; L503-Q507 PolarHBondContact O-N 3.11Å
504A91.6Very high91.7Very high58 Ų58116.3 Ų116.348%0.47953%0.533SS..Hα-helixtrans-66-29.317500000113.7K500 R502 R508K500-A504 WeakPolarHBondContact O-CB 3.48Å; K500-A504 PolarHBondContact O-N 2.83Å; R502-A504 VanDerWaalsContact C-N 3.31Å; R502-A504 PolarHBondContact O-N 3.11Å; A504-R508 WeakPolarHBondContact O-CB 3.33Å; A504-R508 PolarHBondContact O-N 3.45Å
505R91.5Very high92.1Very high184 Ų184120.6 Ų120.669%0.69454%0.537SS*.Hα-helixtrans-73.8-45.3171.1-70.9167.5-175.91760.9110.8R501 R502 L503 Q507 R508 E509R501-R505 VanDerWaalsContact O-CG 3.31Å; R501-R505 WeakPolarHBondContact O-CG 3.18Å; R501-R505 PolarHBondContact O-N 3.41Å; R502-R505 WeakPolarHBondContact O-CA 3.27Å; R502-R505 WeakPolarHBondContact O-CB 3.2Å; R502-R505 PolarHBondContact O-N 3.09Å; L503-R505 VanDerWaalsContact C-N 3.31Å; L503-R505 PolarHBondContact O-N 3.26Å; R505-Q507 PolarHBondContact O-N 3.43Å; R505-R508 CarbonylContact O-C 3.59Å; R505-R508 PolarHBondContact O-N 3.45Å; R505-E509 WeakPolarHBondContact O-CB 3.41Å; R505-E509 PolarHBondContact O-N 3.37Å
506E94Very high92.2Very high56 Ų56120.2 Ų120.226%0.26254%0.536SS..Hα-helixtrans-65.7-37.3-178.5-166.4175.8152.800112.3R502 L503 E509 R510R502-E506 PolarHBondContact O-N 3.33Å; L503-E506 PolarHBondContact O-N 3.37Å; E506-E509 PolarHBondContact O-N 2.95Å; E506-R510 VanDerWaalsContact O-CG 3.28Å; E506-R510 WeakPolarHBondContact O-CG 3.36Å; E506-R510 PolarHBondContact O-N 2.95Å; E506-R510 IonicContact OE1-CZ 3.77Å; E506-R510 IonicContact OE1-NE 3.13Å; E506-R510 IonicContact OE1-NH2 2.74Å; E506-R510 PolarHBondContact OE1-NH2 3.19Å
507Q88.5Confident92.4Very high145 Ų145122.7 Ų122.768%0.67855%0.546SS*.Hα-helixtrans-63.1-46.3170.3-77.6-175.8-35.200111.9L503 R505 E509 R510 E511L503-Q507 WeakPolarHBondContact O-CB 3.48Å; L503-Q507 WeakPolarHBondContact O-CG 3.43Å; L503-Q507 PolarHBondContact O-N 3.11Å; R505-Q507 PolarHBondContact O-N 3.43Å; Q507-E509 VanDerWaalsContact C-N 3.3Å; Q507-E509 PolarHBondContact O-N 2.88Å; Q507-R510 PolarHBondContact O-N 2.81Å; Q507-E511 WeakPolarHBondContact O-CB 3.46Å; Q507-E511 PolarHBondContact O-N 3.35Å
508R90.1Very high92.6Very high173 Ų173125.8 Ų125.865%0.65355%0.551SS**Hα-helixtrans-64.1-35.4176.6177.8177.4170.3169.40.1112.4A504 R505 E512A504-R508 WeakPolarHBondContact O-CB 3.33Å; A504-R508 PolarHBondContact O-N 3.45Å; R505-R508 CarbonylContact O-C 3.59Å; R505-R508 PolarHBondContact O-N 3.45Å; R508-E512 WeakPolarHBondContact O-CB 3.38Å; R508-E512 PolarHBondContact O-N 2.91Å
509E92.6Very high92.4Very high126 Ų126129 Ų12959%0.58956%0.557SS**Hα-helixtrans-66.6-48.2177.3-172.5161.3-143.100110.5R505 E506 Q507 E511 E512 E513R505-E509 WeakPolarHBondContact O-CB 3.41Å; R505-E509 PolarHBondContact O-N 3.37Å; E506-E509 PolarHBondContact O-N 2.95Å; Q507-E509 VanDerWaalsContact C-N 3.3Å; Q507-E509 PolarHBondContact O-N 2.88Å; E509-E511 PolarHBondContact O-N 2.89Å; E509-E512 PolarHBondContact O-N 3.1Å; E509-E513 WeakPolarHBondContact O-CG 3.43Å; E509-E513 PolarHBondContact O-N 2.89Å
510R94.3Very high92.2Very high157 Ų157128 Ų12859%0.59255%0.552SS**Hα-helixtrans-61.5-39.7173.4-66.9174.3-168.4-160.56.9112.8E506 Q507 E513 E514E506-R510 VanDerWaalsContact O-CG 3.28Å; E506-R510 WeakPolarHBondContact O-CG 3.36Å; E506-R510 PolarHBondContact O-N 2.95Å; E506-R510 IonicContact OE1-CZ 3.77Å; E506-R510 IonicContact OE1-NE 3.13Å; E506-R510 IonicContact OE1-NH2 2.74Å; E506-R510 PolarHBondContact OE1-NH2 3.19Å; Q507-R510 PolarHBondContact O-N 2.81Å; R510-E513 PolarHBondContact O-N 2.86Å; R510-E514 PolarHBondContact O-N 3.49Å
511E91.3Very high92Very high137 Ų137128.7 Ų128.764%0.6456%0.557SS**Hα-helixtrans-65.1-40.1174.3-170.2-169.9169.500111.5Q507 E509 R515Q507-E511 WeakPolarHBondContact O-CB 3.46Å; Q507-E511 PolarHBondContact O-N 3.35Å; E509-E511 PolarHBondContact O-N 2.89Å; E511-R515 WeakPolarHBondContact O-CB 3.37Å; E511-R515 PolarHBondContact O-N 3.48Å
512E91.4Very high91.8Very high79 Ų79123.2 Ų123.237%0.36955%0.545SS..Hα-helixtrans-69.9-36.4176.6-162178.813200112R508 E509 R515 R516R508-E512 WeakPolarHBondContact O-CB 3.38Å; R508-E512 PolarHBondContact O-N 2.91Å; E509-E512 PolarHBondContact O-N 3.1Å; E512-R515 PolarHBondContact O-N 2.64Å; E512-R516 WeakPolarHBondContact O-CB 3.44Å; E512-R516 WeakPolarHBondContact O-CG 3.35Å; E512-R516 PolarHBondContact O-N 2.75Å; E512-R516 IonicContact OE1-CZ 3.14Å; E512-R516 IonicContact OE1-NE 2.78Å; E512-R516 PolarHBondContact OE1-NE 2.78Å; E512-R516 IonicContact OE1-NH2 2.67Å; E512-R516 PolarHBondContact OE1-NH2 3.06Å
513E93.6Very high91.7Very high113 Ų113121.1 Ų121.153%0.52854%0.537SS..Hα-helixtrans-62.7-49.2171.5-74.5-172.6147.800112E509 R510 R515 R516 Q517E509-E513 WeakPolarHBondContact O-CG 3.43Å; E509-E513 PolarHBondContact O-N 2.89Å; R510-E513 PolarHBondContact O-N 2.86Å; E513-R515 VanDerWaalsContact C-N 3.32Å; E513-R515 PolarHBondContact O-N 3.25Å; E513-R516 PolarHBondContact O-N 2.72Å; E513-Q517 WeakPolarHBondContact O-CG 3.41Å; E513-Q517 PolarHBondContact O-N 3.12Å
514E91.9Very high91.7Very high90 Ų90121.6 Ų121.642%0.42154%0.54SS..Hα-helixtrans-63-41.5176.9-161.4-163.6178.400111R510 R516 Q517 R518R510-E514 PolarHBondContact O-N 3.49Å; E514-R516 VanDerWaalsContact C-N 3.33Å; E514-R516 PolarHBondContact O-N 2.7Å; E514-Q517 PolarHBondContact O-N 3.46Å; E514-R518 VanDerWaalsContact CD-CZ 3.41Å; E514-R518 VanDerWaalsContact CD-NE 3.31Å; E514-R518 WeakPolarHBondContact O-CB 3.47Å; E514-R518 VanDerWaalsContact O-CG 3.28Å; E514-R518 WeakPolarHBondContact O-CG 3.3Å; E514-R518 PolarHBondContact O-N 3.48Å; E514-R518 IonicContact OE1-CZ 3Å; E514-R518 IonicContact OE1-NE 3.41Å; E514-R518 PolarHBondContact OE1-NE 3.39Å; E514-R518 IonicContact OE1-NH2 3.46Å; E514-R518 PolarHBondContact OE1-NH2 3.28Å; E514-R518 IonicContact OE2-CZ 2.68Å; E514-R518 IonicContact OE2-NE 2.7Å; E514-R518 IonicContact OE2-NH2 2.84Å; E514-R518 PolarHBondContact OE2-NH2 3.5Å
515R92.5Very high91.9Very high165 Ų165121.4 Ų121.462%0.62354%0.538SS*.Hα-helixtrans-60.2-41.8174.7179.9-179.9162.3-166.4-7.5111.8E511 E512 E513 R518 E519E511-R515 WeakPolarHBondContact O-CB 3.37Å; E511-R515 PolarHBondContact O-N 3.48Å; E512-R515 PolarHBondContact O-N 2.64Å; E513-R515 VanDerWaalsContact C-N 3.32Å; E513-R515 PolarHBondContact O-N 3.25Å; R515-R518 PolarHBondContact O-N 3.02Å; R515-E519 WeakPolarHBondContact O-CB 3.35Å; R515-E519 PolarHBondContact O-N 2.74Å
516R90.8Very high91.7Very high153 Ų153120.1 Ų120.158%0.57754%0.538SS*.Hα-helixtrans-62.1-46.3174.7-75168.3-174.4-158.57.4111E512 E513 E514 R518 E519 E520E512-R516 WeakPolarHBondContact O-CB 3.44Å; E512-R516 WeakPolarHBondContact O-CG 3.35Å; E512-R516 PolarHBondContact O-N 2.75Å; E512-R516 IonicContact OE1-CZ 3.14Å; E512-R516 IonicContact OE1-NE 2.78Å; E512-R516 PolarHBondContact OE1-NE 2.78Å; E512-R516 IonicContact OE1-NH2 2.67Å; E512-R516 PolarHBondContact OE1-NH2 3.06Å; E513-R516 PolarHBondContact O-N 2.72Å; E514-R516 VanDerWaalsContact C-N 3.33Å; E514-R516 PolarHBondContact O-N 2.7Å; R516-R518 PolarHBondContact O-N 2.98Å; R516-E519 PolarHBondContact O-N 3.38Å; R516-E519 VanDerWaalsContact O-N 3.14Å; R516-E520 WeakPolarHBondContact O-CG 3.38Å; R516-E520 PolarHBondContact O-N 3.35Å
517Q93.1Very high91.3Very high128 Ų128123.2 Ų123.260%0.59855%0.552SS**Hα-helixtrans-58.8-45.1175.9-67.9176.823.800111.9E513 E514 E519 E520 Q521E513-Q517 WeakPolarHBondContact O-CG 3.41Å; E513-Q517 PolarHBondContact O-N 3.12Å; E514-Q517 PolarHBondContact O-N 3.46Å; Q517-E519 VanDerWaalsContact C-N 3.34Å; Q517-E519 PolarHBondContact O-N 2.87Å; Q517-E520 PolarHBondContact O-N 2.92Å; Q517-Q521 WeakPolarHBondContact O-CB 3.25Å; Q517-Q521 WeakPolarHBondContact O-CG 3.34Å; Q517-Q521 PolarHBondContact O-N 3.13Å
518R91.9Very high91.4Very high156 Ų156120.7 Ų120.759%0.58954%0.54SS*.Hα-helixtrans-62.6-37.9174.9-68.7169.2178.8-170.72.1112.2E514 R515 R516 A522E514-R518 VanDerWaalsContact CD-CZ 3.41Å; E514-R518 VanDerWaalsContact CD-NE 3.31Å; E514-R518 WeakPolarHBondContact O-CB 3.47Å; E514-R518 VanDerWaalsContact O-CG 3.28Å; E514-R518 WeakPolarHBondContact O-CG 3.3Å; E514-R518 PolarHBondContact O-N 3.48Å; E514-R518 IonicContact OE1-CZ 3Å; E514-R518 IonicContact OE1-NE 3.41Å; E514-R518 PolarHBondContact OE1-NE 3.39Å; E514-R518 IonicContact OE1-NH2 3.46Å; E514-R518 PolarHBondContact OE1-NH2 3.28Å; E514-R518 IonicContact OE2-CZ 2.68Å; E514-R518 IonicContact OE2-NE 2.7Å; E514-R518 IonicContact OE2-NH2 2.84Å; E514-R518 PolarHBondContact OE2-NH2 3.5Å; R515-R518 PolarHBondContact O-N 3.02Å; R516-R518 PolarHBondContact O-N 2.98Å; R518-A522 VanDerWaalsContact O-CB 3.32Å; R518-A522 WeakPolarHBondContact O-CB 3.41Å; R518-A522 PolarHBondContact O-N 3.33Å
519E87.4Confident90.7Very high120 Ų120118.2 Ų118.256%0.56154%0.538SS*.Hα-helixtrans-71.2-37.3176.9-170168.4160.400112.4R515 R516 Q517 A522 R523R515-E519 WeakPolarHBondContact O-CB 3.35Å; R515-E519 PolarHBondContact O-N 2.74Å; R516-E519 PolarHBondContact O-N 3.38Å; R516-E519 VanDerWaalsContact O-N 3.14Å; Q517-E519 VanDerWaalsContact C-N 3.34Å; Q517-E519 PolarHBondContact O-N 2.87Å; E519-A522 CarbonylContact O-C 3.6Å; E519-A522 PolarHBondContact O-N 3.3Å; E519-R523 WeakPolarHBondContact O-CB 3.24Å; E519-R523 PolarHBondContact O-N 3.08Å
520E89.9Confident90.4Very high100 Ų100115.1 Ų115.147%0.46753%0.533SS..Hα-helixtrans-70.1-41.6174.2-66.3-150.6114.100112.5R516 Q517 A522 R523 L524R516-E520 WeakPolarHBondContact O-CG 3.38Å; R516-E520 PolarHBondContact O-N 3.35Å; Q517-E520 PolarHBondContact O-N 2.92Å; E520-A522 VanDerWaalsContact C-N 3.32Å; E520-A522 PolarHBondContact O-N 2.88Å; E520-R523 WeakPolarHBondContact O-CB 3.37Å; E520-R523 PolarHBondContact O-N 3Å; E520-R523 VanDerWaalsContact O-N 3.12Å; E520-R523 IonicContact OE1-CZ 3.04Å; E520-R523 IonicContact OE1-NH1 3.97Å; E520-R523 PolarHBondContact OE1-NH1 3.1Å; E520-R523 IonicContact OE1-NH2 2.67Å; E520-L524 WeakPolarHBondContact O-CG 3.4Å; E520-L524 PolarHBondContact O-N 2.68Å
521Q90.3Very high90.3Very high145 Ų145115.1 Ų115.168%0.67853%0.533SS*.Hα-helixtrans-54.5-48.4168.7-71.6-95.6-6.500110.7Q517 R523 L524 A525Q517-Q521 WeakPolarHBondContact O-CB 3.25Å; Q517-Q521 WeakPolarHBondContact O-CG 3.34Å; Q517-Q521 PolarHBondContact O-N 3.13Å; Q521-R523 VanDerWaalsContact C-N 3.32Å; Q521-R523 PolarHBondContact O-N 3Å; Q521-L524 PolarHBondContact O-N 2.91Å; Q521-A525 WeakPolarHBondContact O-CB 3.46Å; Q521-A525 PolarHBondContact O-N 2.87Å
522A92.3Very high90.4Very high40 Ų40115.7 Ų115.733%0.33153%0.53SS..Hα-helixtrans-66.6-29.8176.900000113.3R518 E519 E520 K526R518-A522 VanDerWaalsContact O-CB 3.32Å; R518-A522 WeakPolarHBondContact O-CB 3.41Å; R518-A522 PolarHBondContact O-N 3.33Å; E519-A522 CarbonylContact O-C 3.6Å; E519-A522 PolarHBondContact O-N 3.3Å; E520-A522 VanDerWaalsContact C-N 3.32Å; E520-A522 PolarHBondContact O-N 2.88Å; A522-K526 WeakPolarHBondContact O-CB 3.46Å; A522-K526 VanDerWaalsContact O-CD 3.31Å; A522-K526 WeakPolarHBondContact O-CD 3.27Å; A522-K526 WeakPolarHBondContact O-CG 3.43Å; A522-K526 PolarHBondContact O-N 3.15Å; A522-K526 VanDerWaalsContact O-N 3.15Å
523R92.6Very high90.1Very high128 Ų128117.8 Ų117.848%0.48354%0.538SS..Hα-helixtrans-67.7-49.1173.3-167.6-176.779.3-131.8-0.9110.5E519 E520 Q521 K526 E527E519-R523 WeakPolarHBondContact O-CB 3.24Å; E519-R523 PolarHBondContact O-N 3.08Å; E520-R523 WeakPolarHBondContact O-CB 3.37Å; E520-R523 PolarHBondContact O-N 3Å; E520-R523 VanDerWaalsContact O-N 3.12Å; E520-R523 IonicContact OE1-CZ 3.04Å; E520-R523 IonicContact OE1-NH1 3.97Å; E520-R523 PolarHBondContact OE1-NH1 3.1Å; E520-R523 IonicContact OE1-NH2 2.67Å; Q521-R523 VanDerWaalsContact C-N 3.32Å; Q521-R523 PolarHBondContact O-N 3Å; R523-K526 PolarHBondContact O-N 3.48Å; R523-E527 WeakPolarHBondContact O-CB 3.33Å; R523-E527 PolarHBondContact O-N 3.24Å
524L94Very high89.5Confident100 Ų100115.2 Ų115.252%0.52454%0.535SS..Hα-helixtrans-62.3-44.3178.9-68.9171.6000111.8E520 Q521 K526 E527 E528E520-L524 WeakPolarHBondContact O-CG 3.4Å; E520-L524 PolarHBondContact O-N 2.68Å; Q521-L524 PolarHBondContact O-N 2.91Å; L524-K526 VanDerWaalsContact C-N 3.35Å; L524-K526 PolarHBondContact O-N 2.91Å; L524-E527 PolarHBondContact O-N 3.29Å; L524-E528 PolarHBondContact O-N 3.16Å
525A94.9Very high89.3Confident54 Ų54115.9 Ų115.945%0.44654%0.539SS..Hα-helixtrans-62.4-39.4175.800000112.6Q521 M529Q521-A525 WeakPolarHBondContact O-CB 3.46Å; Q521-A525 PolarHBondContact O-N 2.87Å; A525-M529 WeakPolarHBondContact O-CB 3.47Å; A525-M529 VanDerWaalsContact O-CG 3.31Å; A525-M529 WeakPolarHBondContact O-CG 3.36Å; A525-M529 PolarHBondContact O-N 2.99Å
526K88.6Confident89.2Confident157 Ų157112.4 Ų112.468%0.68353%0.529SS*.Hα-helixtrans-67.4-38.1173.9-74.2167.9-173.4172.10112.1A522 R523 L524 A530A522-K526 WeakPolarHBondContact O-CB 3.46Å; A522-K526 VanDerWaalsContact O-CD 3.31Å; A522-K526 WeakPolarHBondContact O-CD 3.27Å; A522-K526 WeakPolarHBondContact O-CG 3.43Å; A522-K526 PolarHBondContact O-N 3.15Å; A522-K526 VanDerWaalsContact O-N 3.15Å; R523-K526 PolarHBondContact O-N 3.48Å; L524-K526 VanDerWaalsContact C-N 3.35Å; L524-K526 PolarHBondContact O-N 2.91Å; K526-A530 WeakPolarHBondContact O-CB 3.44Å; K526-A530 PolarHBondContact O-N 3.41Å
527E85.9Confident88.8Confident121 Ų121112.1 Ų112.157%0.56553%0.528SS*.Hα-helixtrans-68.3-41.6177.9-172.2166.7-176.200111.6R523 L524 A530 R531R523-E527 WeakPolarHBondContact O-CB 3.33Å; R523-E527 PolarHBondContact O-N 3.24Å; L524-E527 PolarHBondContact O-N 3.29Å; E527-A530 PolarHBondContact O-N 2.77Å; E527-R531 WeakPolarHBondContact O-CB 3.19Å; E527-R531 PolarHBondContact O-N 2.84Å
528E89.4Confident88.6Confident92 Ų92108.6 Ų108.643%0.4352%0.521SS..Hα-helixtrans-65-46.9174.5-160.5-153.7146.900111.8L524 A530 R531 R532L524-E528 PolarHBondContact O-N 3.16Å; E528-A530 VanDerWaalsContact C-N 3.3Å; E528-A530 PolarHBondContact O-N 2.84Å; E528-R531 WeakPolarHBondContact O-CA 3.38Å; E528-R531 WeakPolarHBondContact O-CB 3.35Å; E528-R531 PolarHBondContact O-N 2.99Å; E528-R531 VanDerWaalsContact O-N 3.09Å; E528-R532 PolarHBondContact O-N 2.93Å; E528-R532 IonicContact OE1-CZ 3.7Å; E528-R532 IonicContact OE1-NE 3.65Å; E528-R532 PolarHBondContact OE1-NE 3.38Å; E528-R532 IonicContact OE1-NH2 2.69Å; E528-R532 PolarHBondContact OE1-NH2 2.84Å
529M75Confident88.6Confident122 Ų122108.2 Ų108.260%0.60152%0.524SS*.Hα-helixtrans-65.5-33.9177.2-70.6-62.6-7200112.2A525 K533A525-M529 WeakPolarHBondContact O-CB 3.47Å; A525-M529 VanDerWaalsContact O-CG 3.31Å; A525-M529 WeakPolarHBondContact O-CG 3.36Å; A525-M529 PolarHBondContact O-N 2.99Å; M529-K533 VanDerWaalsContact O-CB 3.29Å; M529-K533 WeakPolarHBondContact O-CB 3.21Å; M529-K533 PolarHBondContact O-N 2.7Å; M529-K533 VanDerWaalsContact O-N 3.07Å
530A86.5Confident88.6Confident60 Ų60109.3 Ų109.350%0.49652%0.523SS..Hα-helixtrans-66.1-39.8170.100000111.9K526 E527 E528 K533 A534K526-A530 WeakPolarHBondContact O-CB 3.44Å; K526-A530 PolarHBondContact O-N 3.41Å; E527-A530 PolarHBondContact O-N 2.77Å; E528-A530 VanDerWaalsContact C-N 3.3Å; E528-A530 PolarHBondContact O-N 2.84Å; A530-K533 PolarHBondContact O-N 3.06Å; A530-A534 WeakPolarHBondContact O-CB 3.31Å; A530-A534 PolarHBondContact O-N 3.01Å
531R93.8Very high88.5Confident157 Ų157109.9 Ų109.959%0.59253%0.526SS*.Hα-helixtrans-62.3-52.7174.9-161.3-158.4105.8-171.45.8111.1E527 E528 K533 A534 E535E527-R531 WeakPolarHBondContact O-CB 3.19Å; E527-R531 PolarHBondContact O-N 2.84Å; E528-R531 WeakPolarHBondContact O-CA 3.38Å; E528-R531 WeakPolarHBondContact O-CB 3.35Å; E528-R531 PolarHBondContact O-N 2.99Å; E528-R531 VanDerWaalsContact O-N 3.09Å; R531-K533 VanDerWaalsContact C-N 3.29Å; R531-K533 PolarHBondContact O-N 3.18Å; R531-A534 PolarHBondContact O-N 3.1Å; R531-E535 IonicContact CZ-OE2 3.23Å; R531-E535 VanDerWaalsContact CZ-OE2 3.24Å; R531-E535 IonicContact NE-OE2 2.72Å; R531-E535 PolarHBondContact NE-OE2 3.4Å; R531-E535 IonicContact NH2-OE1 3.13Å; R531-E535 PolarHBondContact NH2-OE1 3.45Å; R531-E535 IonicContact NH2-OE2 2.64Å; R531-E535 PolarHBondContact NH2-OE2 2.97Å; R531-E535 WeakPolarHBondContact O-CB 3.28Å; R531-E535 PolarHBondContact O-N 2.83Å
532R93.1Very high88.4Confident149 Ų149108.2 Ų108.256%0.56252%0.518SS*.Hα-helixtrans-54.5-44.9177.4-69.1-175.7-174.7-1458.1111.3E528 A534 E535 E536E528-R532 PolarHBondContact O-N 2.93Å; E528-R532 IonicContact OE1-CZ 3.7Å; E528-R532 IonicContact OE1-NE 3.65Å; E528-R532 PolarHBondContact OE1-NE 3.38Å; E528-R532 IonicContact OE1-NH2 2.69Å; E528-R532 PolarHBondContact OE1-NH2 2.84Å; R532-A534 PolarHBondContact O-N 2.89Å; R532-E535 PolarHBondContact O-N 3.04Å; R532-E536 VanDerWaalsContact O-CB 3.3Å; R532-E536 WeakPolarHBondContact O-CB 3.39Å; R532-E536 PolarHBondContact O-N 2.87Å
533K85.3Confident88.3Confident124 Ų124112.3 Ų112.354%0.53953%0.53SS..Hα-helixtrans-69.5-28.6178.2-170.5167.5-173165.50113.9M529 A530 R531 R537M529-K533 VanDerWaalsContact O-CB 3.29Å; M529-K533 WeakPolarHBondContact O-CB 3.21Å; M529-K533 PolarHBondContact O-N 2.7Å; M529-K533 VanDerWaalsContact O-N 3.07Å; A530-K533 PolarHBondContact O-N 3.06Å; R531-K533 VanDerWaalsContact C-N 3.29Å; R531-K533 PolarHBondContact O-N 3.18Å; K533-R537 WeakPolarHBondContact O-CB 3.36Å; K533-R537 WeakPolarHBondContact O-CG 3.42Å; K533-R537 PolarHBondContact O-N 3.26Å
534A80.4Confident88.3Confident58 Ų58109.1 Ų109.148%0.47953%0.531SS..Hα-helixtrans-75.6-39.2172.500000111.7A530 R531 R532 R537 A538A530-A534 WeakPolarHBondContact O-CB 3.31Å; A530-A534 PolarHBondContact O-N 3.01Å; R531-A534 PolarHBondContact O-N 3.1Å; R532-A534 PolarHBondContact O-N 2.89Å; A534-R537 PolarHBondContact O-N 2.94Å; A534-A538 WeakPolarHBondContact O-CB 3.4Å; A534-A538 PolarHBondContact O-N 2.76Å
535E88.6Confident88.2Confident104 Ų104110.5 Ų110.549%0.48654%0.535SS..Hα-helixtrans-66.1-43.1176.8-160.6169.7146.400111.1R531 R532 R537 A538 K539R531-E535 IonicContact CZ-OE2 3.23Å; R531-E535 VanDerWaalsContact CZ-OE2 3.24Å; R531-E535 IonicContact NE-OE2 2.72Å; R531-E535 PolarHBondContact NE-OE2 3.4Å; R531-E535 IonicContact NH2-OE1 3.13Å; R531-E535 PolarHBondContact NH2-OE1 3.45Å; R531-E535 IonicContact NH2-OE2 2.64Å; R531-E535 PolarHBondContact NH2-OE2 2.97Å; R531-E535 WeakPolarHBondContact O-CB 3.28Å; R531-E535 PolarHBondContact O-N 2.83Å; R532-E535 PolarHBondContact O-N 3.04Å; E535-R537 PolarHBondContact O-N 3.37Å; E535-A538 PolarHBondContact O-N 3.38Å; E535-K539 PolarHBondContact O-N 2.67Å
536E90.1Very high88.2Confident92 Ų92114.9 Ų114.943%0.4354%0.54SS..Hα-helixtrans-62.3-37.7172.6-167-155.2157.300112.8R532 R540R532-E536 VanDerWaalsContact O-CB 3.3Å; R532-E536 WeakPolarHBondContact O-CB 3.39Å; R532-E536 PolarHBondContact O-N 2.87Å; E536-R540 PolarHBondContact O-N 3.38Å; E536-R540 IonicContact OE1-CZ 3.55Å; E536-R540 IonicContact OE1-NH1 2.7Å; E536-R540 PolarHBondContact OE1-NH1 2.69Å; E536-R540 IonicContact OE1-NH2 3.55Å; E536-R540 PolarHBondContact OE1-NH2 2.86Å
537R81.4Confident88.5Confident147 Ų147113.5 Ų113.556%0.55554%0.539SS*.Hα-helixtrans-71-47.7174.3-81.6179.5171.7-169.9-5.9112K533 A534 E535 K539 R540 E541K533-R537 WeakPolarHBondContact O-CB 3.36Å; K533-R537 WeakPolarHBondContact O-CG 3.42Å; K533-R537 PolarHBondContact O-N 3.26Å; A534-R537 PolarHBondContact O-N 2.94Å; E535-R537 PolarHBondContact O-N 3.37Å; R537-K539 PolarHBondContact O-N 2.96Å; R537-R540 PolarHBondContact O-N 3.35Å; R537-R540 VanDerWaalsContact O-N 3.09Å; R537-E541 WeakPolarHBondContact O-CB 3.48Å; R537-E541 WeakPolarHBondContact O-CG 3.37Å; R537-E541 PolarHBondContact O-N 3.33Å
538A88.4Confident88.6Confident54 Ų54110.5 Ų110.545%0.44654%0.535SS..Hα-helixtrans-55.3-40.5176.100000111.3A534 E535 E541 E542A534-A538 WeakPolarHBondContact O-CB 3.4Å; A534-A538 PolarHBondContact O-N 2.76Å; E535-A538 PolarHBondContact O-N 3.38Å; A538-E541 PolarHBondContact O-N 3.01Å; A538-E542 WeakPolarHBondContact O-CB 3.43Å; A538-E542 PolarHBondContact O-N 2.79Å
539K92.6Very high88.8Confident148 Ų148108.7 Ų108.764%0.64353%0.526SS*.Hα-helixtrans-63.2-45.5175.1-171.2175.1179.5-178.10113.1E535 R537 E541 E542 E543E535-K539 PolarHBondContact O-N 2.67Å; R537-K539 PolarHBondContact O-N 2.96Å; K539-E541 VanDerWaalsContact C-N 3.34Å; K539-E542 PolarHBondContact O-N 2.86Å; K539-E543 VanDerWaalsContact O-CB 3.32Å; K539-E543 WeakPolarHBondContact O-CB 3.49Å; K539-E543 PolarHBondContact O-N 3.49Å
540R87.1Confident89.6Confident144 Ų144108.4 Ų108.454%0.54352%0.523SS..Hα-helixtrans-67.3-34.2175.1-71.1-162.1-169.386.4-1.4112.8E536 R537 A544E536-R540 PolarHBondContact O-N 3.38Å; E536-R540 IonicContact OE1-CZ 3.55Å; E536-R540 IonicContact OE1-NH1 2.7Å; E536-R540 PolarHBondContact OE1-NH1 2.69Å; E536-R540 IonicContact OE1-NH2 3.55Å; E536-R540 PolarHBondContact OE1-NH2 2.86Å; R537-R540 PolarHBondContact O-N 3.35Å; R537-R540 VanDerWaalsContact O-N 3.09Å; R540-A544 VanDerWaalsContact O-CB 3.28Å; R540-A544 WeakPolarHBondContact O-CB 3.47Å; R540-A544 PolarHBondContact O-N 3.01Å
541E87.7Confident89.9Confident112 Ų112112.9 Ų112.952%0.52353%0.527SS..Hα-helixtrans-69.9-34.7176-72.3169.7-148.800111.4R537 A538 K539 Q545R537-E541 WeakPolarHBondContact O-CB 3.48Å; R537-E541 WeakPolarHBondContact O-CG 3.37Å; R537-E541 PolarHBondContact O-N 3.33Å; A538-E541 PolarHBondContact O-N 3.01Å; K539-E541 VanDerWaalsContact C-N 3.34Å; E541-Q545 WeakPolarHBondContact O-CB 3.18Å; E541-Q545 WeakPolarHBondContact O-CG 3.45Å; E541-Q545 PolarHBondContact O-N 2.9Å; E541-Q545 PolarHBondContact O-NE2 3.06Å
542E89.4Confident89.9Confident109 Ų109111.1 Ų111.151%0.50952%0.521SS..Hα-helixtrans-70.5-44.3171.1-174.7178.5179.600111.8A538 K539 A544 Q545 R546A538-E542 WeakPolarHBondContact O-CB 3.43Å; A538-E542 PolarHBondContact O-N 2.79Å; K539-E542 PolarHBondContact O-N 2.86Å; E542-A544 PolarHBondContact O-N 3.2Å; E542-Q545 CarbonylContact O-C 3.58Å; E542-Q545 WeakPolarHBondContact O-CA 3.43Å; E542-Q545 WeakPolarHBondContact O-CB 3.41Å; E542-Q545 PolarHBondContact O-N 3.27Å; E542-Q545 VanDerWaalsContact O-N 3.12Å; E542-R546 WeakPolarHBondContact O-CG 3.31Å; E542-R546 PolarHBondContact O-N 3.4Å
543E89.7Confident89.9Confident127 Ų127110.6 Ų110.659%0.59352%0.519SS*.Hα-helixtrans-60.9-43.7177.1-173.2171.4-167.900111.7K539 R546 L547K539-E543 VanDerWaalsContact O-CB 3.32Å; K539-E543 WeakPolarHBondContact O-CB 3.49Å; K539-E543 PolarHBondContact O-N 3.49Å; E543-R546 PolarHBondContact O-N 2.93Å; E543-L547 PolarHBondContact O-N 2.85Å; E543-L547 VanDerWaalsContact O-N 3.08Å
544A92.2Very high90.3Very high60 Ų60110.1 Ų110.150%0.49652%0.519SS..Hα-helixtrans-64.9-36.8172.100000112.7R540 E542 A548R540-A544 VanDerWaalsContact O-CB 3.28Å; R540-A544 WeakPolarHBondContact O-CB 3.47Å; R540-A544 PolarHBondContact O-N 3.01Å; E542-A544 PolarHBondContact O-N 3.2Å; A544-A548 VanDerWaalsContact O-CB 3.31Å; A544-A548 WeakPolarHBondContact O-CB 3.45Å; A544-A548 PolarHBondContact O-N 3.09Å
545Q92.6Very high90.8Very high130 Ų130111.2 Ų111.261%0.60751%0.514SS*.Hα-helixtrans-66.8-35.2173.5-81.3167.167.700112.4E541 E542 A548 E549E541-Q545 WeakPolarHBondContact O-CB 3.18Å; E541-Q545 WeakPolarHBondContact O-CG 3.45Å; E541-Q545 PolarHBondContact O-N 2.9Å; E541-Q545 PolarHBondContact O-NE2 3.06Å; E542-Q545 CarbonylContact O-C 3.58Å; E542-Q545 WeakPolarHBondContact O-CA 3.43Å; E542-Q545 WeakPolarHBondContact O-CB 3.41Å; E542-Q545 PolarHBondContact O-N 3.27Å; E542-Q545 VanDerWaalsContact O-N 3.12Å; Q545-A548 PolarHBondContact O-N 2.85Å; Q545-E549 WeakPolarHBondContact O-CB 3.42Å; Q545-E549 PolarHBondContact O-N 3.41Å
546R94.7Very high90.9Very high146 Ų146110.2 Ų110.255%0.55151%0.509SS*.Hα-helixtrans-65.7-47.5174.7-73.2-63.7-177.4-166.33.2112E542 E543 A548 E549 E550E542-R546 WeakPolarHBondContact O-CG 3.31Å; E542-R546 PolarHBondContact O-N 3.4Å; E543-R546 PolarHBondContact O-N 2.93Å; R546-A548 VanDerWaalsContact C-N 3.28Å; R546-A548 PolarHBondContact O-N 3.48Å; R546-E549 IonicContact CZ-OE2 3.1Å; R546-E549 IonicContact NH1-OE2 2.61Å; R546-E549 PolarHBondContact NH1-OE2 3.27Å; R546-E549 PolarHBondContact O-N 2.84Å; R546-E550 WeakPolarHBondContact O-CB 3.34Å; R546-E550 PolarHBondContact O-N 3.49Å
547L93.9Very high91Very high127 Ų127111.1 Ų111.167%0.66551%0.513SS*.Hα-helixtrans-63.3-35.8176.4-167.3119.7000111.9E543 R551E543-L547 PolarHBondContact O-N 2.85Å; E543-L547 VanDerWaalsContact O-N 3.08Å; L547-R551 WeakPolarHBondContact O-CB 3.16Å; L547-R551 PolarHBondContact O-N 3.31Å
548A90.1Very high91.4Very high58 Ų58110.9 Ų110.948%0.47952%0.518SS..Hα-helixtrans-70-37.3173.100000113A544 Q545 R546 R552A544-A548 VanDerWaalsContact O-CB 3.31Å; A544-A548 WeakPolarHBondContact O-CB 3.45Å; A544-A548 PolarHBondContact O-N 3.09Å; Q545-A548 PolarHBondContact O-N 2.85Å; R546-A548 VanDerWaalsContact C-N 3.28Å; R546-A548 PolarHBondContact O-N 3.48Å; A548-R552 WeakPolarHBondContact O-CB 3.4Å; A548-R552 PolarHBondContact O-N 3.35Å
549E91.9Very high91.7Very high55 Ų55115.1 Ų115.126%0.25753%0.529SS..Hα-helixtrans-65.9-42.9174.3-165.8-163.1162.200111.1Q545 R546 R552 R553Q545-E549 WeakPolarHBondContact O-CB 3.42Å; Q545-E549 PolarHBondContact O-N 3.41Å; R546-E549 IonicContact CZ-OE2 3.1Å; R546-E549 IonicContact NH1-OE2 2.61Å; R546-E549 PolarHBondContact NH1-OE2 3.27Å; R546-E549 PolarHBondContact O-N 2.84Å; E549-R552 PolarHBondContact O-N 3.35Å; E549-R553 WeakPolarHBondContact O-CG 3.42Å; E549-R553 PolarHBondContact O-N 3.48Å; E549-R553 IonicContact OE1-CZ 2.65Å; E549-R553 IonicContact OE1-NE 3.26Å; E549-R553 PolarHBondContact OE1-NE 2.82Å; E549-R553 IonicContact OE1-NH2 3.87Å; E549-R553 PolarHBondContact OE1-NH2 2.94Å
550E91.9Very high91.8Very high115 Ų115116.9 Ų116.954%0.53753%0.532SS..Hα-helixtrans-64.1-48.7177.2-175.9172.6-172.700111.7R546 R552 R553 Q554R546-E550 WeakPolarHBondContact O-CB 3.34Å; R546-E550 PolarHBondContact O-N 3.49Å; E550-R552 VanDerWaalsContact C-N 3.31Å; E550-R552 PolarHBondContact O-N 2.9Å; E550-R553 WeakPolarHBondContact O-CB 3.31Å; E550-R553 PolarHBondContact O-N 3.12Å; E550-R553 VanDerWaalsContact O-N 3.13Å; E550-Q554 WeakPolarHBondContact O-CG 3.35Å; E550-Q554 PolarHBondContact O-N 3.47Å
551R93.7Very high92.1Very high154 Ų154115.9 Ų115.958%0.58153%0.531SS*.Hα-helixtrans-56.7-44.5172.7178.3-179.8162.8-162.2-9.4111.4L547 R553 Q554 E555L547-R551 WeakPolarHBondContact O-CB 3.16Å; L547-R551 PolarHBondContact O-N 3.31Å; R551-R553 VanDerWaalsContact C-N 3.27Å; R551-R553 PolarHBondContact O-N 2.83Å; R551-Q554 WeakPolarHBondContact O-CB 3.2Å; R551-Q554 PolarHBondContact O-N 3.09Å; R551-Q554 VanDerWaalsContact O-N 3.1Å; R551-E555 HydrophobicContact CG-CG 4.4Å; R551-E555 IonicContact CZ-OE1 3.42Å; R551-E555 IonicContact NE-OE1 3.73Å; R551-E555 PolarHBondContact NE-OE1 2.84Å; R551-E555 IonicContact NE-OE2 2.69Å; R551-E555 IonicContact NH2-OE1 3.17Å; R551-E555 PolarHBondContact NH2-OE1 2.82Å; R551-E555 WeakPolarHBondContact O-CG 3.42Å; R551-E555 PolarHBondContact O-N 2.96Å
552R94.3Very high92.4Very high120 Ų120112.6 Ų112.645%0.45352%0.524SS..Hα-helixtrans-63-33.5179.3-153.6-166.483-110.8-11112.2A548 E549 E550 E556A548-R552 WeakPolarHBondContact O-CB 3.4Å; A548-R552 PolarHBondContact O-N 3.35Å; E549-R552 PolarHBondContact O-N 3.35Å; E550-R552 VanDerWaalsContact C-N 3.31Å; E550-R552 PolarHBondContact O-N 2.9Å; R552-E556 IonicContact CZ-OE1 2.84Å; R552-E556 IonicContact NE-OE1 3.17Å; R552-E556 PolarHBondContact NE-OE1 3.27Å; R552-E556 IonicContact NH2-OE1 2.68Å; R552-E556 PolarHBondContact NH2-OE1 3.35Å; R552-E556 IonicContact NH2-OE2 3.17Å; R552-E556 WeakPolarHBondContact O-CB 3.34Å; R552-E556 VanDerWaalsContact O-CG 3.25Å; R552-E556 WeakPolarHBondContact O-CG 3.48Å; R552-E556 PolarHBondContact O-N 3.44Å
553R92.4Very high92.5Very high138 Ų138114 Ų11452%0.52153%0.53SS..Hα-helixtrans-69.5-38172.8-69.9175.5-172.4-148.96.3112.4E549 E550 R551 E556 E557E549-R553 WeakPolarHBondContact O-CG 3.42Å; E549-R553 PolarHBondContact O-N 3.48Å; E549-R553 IonicContact OE1-CZ 2.65Å; E549-R553 IonicContact OE1-NE 3.26Å; E549-R553 PolarHBondContact OE1-NE 2.82Å; E549-R553 IonicContact OE1-NH2 3.87Å; E549-R553 PolarHBondContact OE1-NH2 2.94Å; E550-R553 WeakPolarHBondContact O-CB 3.31Å; E550-R553 PolarHBondContact O-N 3.12Å; E550-R553 VanDerWaalsContact O-N 3.13Å; R551-R553 VanDerWaalsContact C-N 3.27Å; R551-R553 PolarHBondContact O-N 2.83Å; R553-E556 PolarHBondContact O-N 3.1Å; R553-E557 WeakPolarHBondContact O-CB 3.36Å; R553-E557 PolarHBondContact O-N 3.26Å
554Q93.4Very high92.6Very high114 Ų114113.8 Ų113.853%0.53353%0.529SS..Hα-helixtrans-63.6-43.4174.2-67.7172.3400110.7E550 R551 E557 E558E550-Q554 WeakPolarHBondContact O-CG 3.35Å; E550-Q554 PolarHBondContact O-N 3.47Å; R551-Q554 WeakPolarHBondContact O-CB 3.2Å; R551-Q554 PolarHBondContact O-N 3.09Å; R551-Q554 VanDerWaalsContact O-N 3.1Å; Q554-E557 PolarHBondContact O-N 3.36Å; Q554-E558 WeakPolarHBondContact O-CB 3.43Å; Q554-E558 PolarHBondContact O-N 3.08Å
555E90.4Very high92.6Very high82 Ų82115.2 Ų115.238%0.38353%0.526SS..Hα-helixtrans-65.3-43.1174.7-69.2172.6159.900112.2R551 E557 E558 E559R551-E555 HydrophobicContact CG-CG 4.4Å; R551-E555 IonicContact CZ-OE1 3.42Å; R551-E555 IonicContact NE-OE1 3.73Å; R551-E555 PolarHBondContact NE-OE1 2.84Å; R551-E555 IonicContact NE-OE2 2.69Å; R551-E555 IonicContact NH2-OE1 3.17Å; R551-E555 PolarHBondContact NH2-OE1 2.82Å; R551-E555 WeakPolarHBondContact O-CG 3.42Å; R551-E555 PolarHBondContact O-N 2.96Å; E555-E557 VanDerWaalsContact C-N 3.29Å; E555-E557 PolarHBondContact O-N 2.77Å; E555-E558 PolarHBondContact O-N 3.18Å; E555-E559 WeakPolarHBondContact O-CB 3.2Å; E555-E559 PolarHBondContact O-N 2.95Å
556E91Very high92.7Very high82 Ų82118 Ų11838%0.38353%0.531SS..Hα-helixtrans-61.9-33.2172.9-78.5170-164.400112.7R552 R553 R560R552-E556 IonicContact CZ-OE1 2.84Å; R552-E556 IonicContact NE-OE1 3.17Å; R552-E556 PolarHBondContact NE-OE1 3.27Å; R552-E556 IonicContact NH2-OE1 2.68Å; R552-E556 PolarHBondContact NH2-OE1 3.35Å; R552-E556 IonicContact NH2-OE2 3.17Å; R552-E556 WeakPolarHBondContact O-CB 3.34Å; R552-E556 VanDerWaalsContact O-CG 3.25Å; R552-E556 WeakPolarHBondContact O-CG 3.48Å; R552-E556 PolarHBondContact O-N 3.44Å; R553-E556 PolarHBondContact O-N 3.1Å; E556-R560 WeakPolarHBondContact O-CB 3.34Å; E556-R560 WeakPolarHBondContact O-CD 3.32Å; E556-R560 WeakPolarHBondContact O-CG 3.36Å; E556-R560 PolarHBondContact O-N 3.35Å
557E91.4Very high92.7Very high111 Ų111114.8 Ų114.852%0.51952%0.524SS..Hα-helixtrans-77.5-35.2174.9-86.2-164.7-150.500113.5R553 Q554 E555 K561R553-E557 WeakPolarHBondContact O-CB 3.36Å; R553-E557 PolarHBondContact O-N 3.26Å; Q554-E557 PolarHBondContact O-N 3.36Å; E555-E557 VanDerWaalsContact C-N 3.29Å; E555-E557 PolarHBondContact O-N 2.77Å; E557-K561 VanDerWaalsContact O-CD 3.27Å; E557-K561 WeakPolarHBondContact O-CD 3.49Å; E557-K561 VanDerWaalsContact O-CG 3.24Å; E557-K561 WeakPolarHBondContact O-CG 3.39Å; E557-K561 PolarHBondContact O-N 3.27Å; E557-K561 VanDerWaalsContact O-N 3.08Å; E557-K561 IonicContact OE2-NZ 3Å; E557-K561 PolarHBondContact OE2-NZ 2.86Å
558E91.3Very high92.6Very high142 Ų142114 Ų11466%0.66452%0.516SS*.Hα-helixtrans-70.7-44.4176.1-170.8174.4170.100110.8Q554 E555 R560 K561 A562Q554-E558 WeakPolarHBondContact O-CB 3.43Å; Q554-E558 PolarHBondContact O-N 3.08Å; E555-E558 PolarHBondContact O-N 3.18Å; E558-R560 VanDerWaalsContact C-N 3.29Å; E558-R560 PolarHBondContact O-N 3.27Å; E558-K561 PolarHBondContact O-N 2.83Å; E558-K561 VanDerWaalsContact O-N 3.15Å; E558-A562 WeakPolarHBondContact O-CB 3.5Å; E558-A562 PolarHBondContact O-N 3.34Å
559E93.5Very high92.7Very high144 Ų144118.3 Ų118.367%0.67352%0.521SS*.Hα-helixtrans-58.2-41.4173.3-175.6172.7-14800111.3E555 A562 E563E555-E559 WeakPolarHBondContact O-CB 3.2Å; E555-E559 PolarHBondContact O-N 2.95Å; E559-A562 PolarHBondContact O-N 3.38Å; E559-E563 WeakPolarHBondContact O-CB 3.35Å; E559-E563 PolarHBondContact O-N 2.9Å
560R94.2Very high92.8Very high185 Ų185121.9 Ų121.970%0.69854%0.537SS*.Hα-helixtrans-64.4-40.3174.6-82.2172.6150.3-117.7-14.6113.8E556 E558 E563 E564E556-R560 WeakPolarHBondContact O-CB 3.34Å; E556-R560 WeakPolarHBondContact O-CD 3.32Å; E556-R560 WeakPolarHBondContact O-CG 3.36Å; E556-R560 PolarHBondContact O-N 3.35Å; E558-R560 VanDerWaalsContact C-N 3.29Å; E558-R560 PolarHBondContact O-N 3.27Å; R560-E563 PolarHBondContact O-N 3.17Å; R560-E564 WeakPolarHBondContact O-CB 3.48Å; R560-E564 PolarHBondContact O-N 3.48Å
561K95.1Very high92.7Very high122 Ų122124.2 Ų124.253%0.5354%0.541SS..Hα-helixtrans-67.3-39176-70.9157.3-165156.50110.6E557 E558 E564 E565E557-K561 VanDerWaalsContact O-CD 3.27Å; E557-K561 WeakPolarHBondContact O-CD 3.49Å; E557-K561 VanDerWaalsContact O-CG 3.24Å; E557-K561 WeakPolarHBondContact O-CG 3.39Å; E557-K561 PolarHBondContact O-N 3.27Å; E557-K561 VanDerWaalsContact O-N 3.08Å; E557-K561 IonicContact OE2-NZ 3Å; E557-K561 PolarHBondContact OE2-NZ 2.86Å; E558-K561 PolarHBondContact O-N 2.83Å; E558-K561 VanDerWaalsContact O-N 3.15Å; K561-E564 PolarHBondContact O-N 3.19Å; K561-E565 WeakPolarHBondContact O-CB 3.41Å; K561-E565 PolarHBondContact O-N 3.1Å
562A93.4Very high92.6Very high44 Ų44122.5 Ų122.536%0.36454%0.54SS..Hα-helixtrans-68.3-36.9174.100000112.9E558 E559 R566E558-A562 WeakPolarHBondContact O-CB 3.5Å; E558-A562 PolarHBondContact O-N 3.34Å; E559-A562 PolarHBondContact O-N 3.38Å; A562-R566 WeakPolarHBondContact O-CB 3.38Å; A562-R566 WeakPolarHBondContact O-CG 3.44Å; A562-R566 PolarHBondContact O-N 3.11Å
563E91.5Very high92.6Very high139 Ų139123 Ų12365%0.6555%0.547SS*.Hα-helixtrans-64.3-45.4172.5-173-179.8-157.400110.9E559 R560 R566 L567E559-E563 WeakPolarHBondContact O-CB 3.35Å; E559-E563 PolarHBondContact O-N 2.9Å; R560-E563 PolarHBondContact O-N 3.17Å; E563-R566 PolarHBondContact O-N 2.89Å; E563-L567 WeakPolarHBondContact O-CB 3.37Å; E563-L567 PolarHBondContact O-N 2.95Å
564E90.9Very high92.6Very high121 Ų121119 Ų11957%0.56554%0.543SS*.Hα-helixtrans-63.5-44.4176.5-172.3174175.600112R560 K561 R566 L567 Q568R560-E564 WeakPolarHBondContact O-CB 3.48Å; R560-E564 PolarHBondContact O-N 3.48Å; K561-E564 PolarHBondContact O-N 3.19Å; E564-R566 PolarHBondContact O-N 2.94Å; E564-L567 PolarHBondContact O-N 3.31Å; E564-Q568 WeakPolarHBondContact O-CG 3.46Å; E564-Q568 PolarHBondContact O-N 3.35Å; E564-Q568 PolarHBondContact OE1-NE2 2.87Å
565E93.1Very high92.5Very high91 Ų91119.9 Ų119.943%0.42555%0.547SS..Hα-helixtrans-62.2-42.7176-167.4-16817400111.7K561 L567 Q568 R569K561-E565 WeakPolarHBondContact O-CB 3.41Å; K561-E565 PolarHBondContact O-N 3.1Å; E565-L567 VanDerWaalsContact C-N 3.32Å; E565-L567 PolarHBondContact O-N 2.87Å; E565-Q568 PolarHBondContact O-N 3.02Å; E565-R569 WeakPolarHBondContact O-CG 3.49Å; E565-R569 PolarHBondContact O-N 3.43Å; E565-R569 IonicContact OE1-CZ 2.77Å; E565-R569 VanDerWaalsContact OE1-CZ 3.23Å; E565-R569 IonicContact OE1-NE 2.76Å; E565-R569 PolarHBondContact OE1-NE 3.35Å; E565-R569 VanDerWaalsContact OE1-NE 3.1Å; E565-R569 IonicContact OE1-NH2 3.58Å; E565-R569 PolarHBondContact OE1-NH2 3.3Å; E565-R569 IonicContact OE2-NH2 2.7Å
566R94.3Very high92.7Very high189 Ų189124.1 Ų124.171%0.71356%0.56SS**Hα-helixtrans-63.4-38.8175.9-73.5176.873.4-164.82111.8A562 E563 E564 Q568 R569 E570A562-R566 WeakPolarHBondContact O-CB 3.38Å; A562-R566 WeakPolarHBondContact O-CG 3.44Å; A562-R566 PolarHBondContact O-N 3.11Å; E563-R566 PolarHBondContact O-N 2.89Å; E564-R566 PolarHBondContact O-N 2.94Å; R566-Q568 VanDerWaalsContact C-N 3.35Å; R566-R569 PolarHBondContact O-N 2.87Å; R566-E570 WeakPolarHBondContact O-CB 3.27Å; R566-E570 PolarHBondContact O-N 2.98Å
567L94.3Very high92.6Very high77 Ų77124 Ų12440%0.40356%0.562SS.*Hα-helixtrans-68.2-32.2174.7-171.667.4000112.4E563 E564 E565 R571E563-L567 WeakPolarHBondContact O-CB 3.37Å; E563-L567 PolarHBondContact O-N 2.95Å; E564-L567 PolarHBondContact O-N 3.31Å; E565-L567 VanDerWaalsContact C-N 3.32Å; E565-L567 PolarHBondContact O-N 2.87Å; L567-R571 WeakPolarHBondContact O-CD 3.44Å; L567-R571 WeakPolarHBondContact O-CG 3.4Å; L567-R571 PolarHBondContact O-N 3.28Å; L567-R571 VanDerWaalsContact O-N 3.12Å
568Q92Very high92.6Very high110 Ų110124.9 Ų124.951%0.51457%0.566SS.*Hα-helixtrans-68.3-45171.9-71.3178.722.600111.3E564 E565 R566 R571 E572E564-Q568 WeakPolarHBondContact O-CG 3.46Å; E564-Q568 PolarHBondContact O-N 3.35Å; E564-Q568 PolarHBondContact OE1-NE2 2.87Å; E565-Q568 PolarHBondContact O-N 3.02Å; R566-Q568 VanDerWaalsContact C-N 3.35Å; Q568-R571 WeakPolarHBondContact O-CB 3.44Å; Q568-R571 PolarHBondContact O-N 3.04Å; Q568-E572 PolarHBondContact O-N 3.29Å
569R93.6Very high92.7Very high150 Ų150124.7 Ų124.757%0.56656%0.563SS**Hα-helixtrans-61.9-42.7175.2-67.6172.1-178.6-154.14.3112.3E565 R566 R571 E572 E573E565-R569 WeakPolarHBondContact O-CG 3.49Å; E565-R569 PolarHBondContact O-N 3.43Å; E565-R569 IonicContact OE1-CZ 2.77Å; E565-R569 VanDerWaalsContact OE1-CZ 3.23Å; E565-R569 IonicContact OE1-NE 2.76Å; E565-R569 PolarHBondContact OE1-NE 3.35Å; E565-R569 VanDerWaalsContact OE1-NE 3.1Å; E565-R569 IonicContact OE1-NH2 3.58Å; E565-R569 PolarHBondContact OE1-NH2 3.3Å; E565-R569 IonicContact OE2-NH2 2.7Å; R566-R569 PolarHBondContact O-N 2.87Å; R569-R571 VanDerWaalsContact C-N 3.31Å; R569-R571 PolarHBondContact O-N 2.98Å; R569-E572 PolarHBondContact O-N 3.38Å; R569-E573 PolarHBondContact O-N 2.84Å
570E92.7Very high92.6Very high129 Ų129123.6 Ų123.660%0.60356%0.557SS**Hα-helixtrans-61.4-38.3174.7-175.3-178.4178.700111.8R566 A574R566-E570 WeakPolarHBondContact O-CB 3.27Å; R566-E570 PolarHBondContact O-N 2.98Å; E570-A574 VanDerWaalsContact O-CB 3.25Å; E570-A574 WeakPolarHBondContact O-CB 3.28Å; E570-A574 PolarHBondContact O-N 2.9Å
571R90.5Very high92.6Very high164 Ų164121.4 Ų121.462%0.61955%0.553SS**Hα-helixtrans-67.5-41.5174.2-73.9169.5-174-167.65.5112.6L567 Q568 R569 A574 E575L567-R571 WeakPolarHBondContact O-CD 3.44Å; L567-R571 WeakPolarHBondContact O-CG 3.4Å; L567-R571 PolarHBondContact O-N 3.28Å; L567-R571 VanDerWaalsContact O-N 3.12Å; Q568-R571 WeakPolarHBondContact O-CB 3.44Å; Q568-R571 PolarHBondContact O-N 3.04Å; R569-R571 VanDerWaalsContact C-N 3.31Å; R569-R571 PolarHBondContact O-N 2.98Å; R571-A574 PolarHBondContact O-N 3.41Å; R571-E575 WeakPolarHBondContact O-CB 3.39Å; R571-E575 PolarHBondContact O-N 3.2Å
572E92.2Very high92.3Very high119 Ų119121.6 Ų121.656%0.55656%0.556SS**Hα-helixtrans-63.7-44.6176-167.5-166.514600110.9Q568 R569 A574 E575 R576Q568-E572 PolarHBondContact O-N 3.29Å; R569-E572 PolarHBondContact O-N 3.38Å; E572-A574 PolarHBondContact O-N 3.44Å; E572-E575 PolarHBondContact O-N 2.92Å; E572-R576 WeakPolarHBondContact O-CG 3.31Å; E572-R576 PolarHBondContact O-N 3.49Å
573E92.4Very high92.2Very high130 Ų130124.3 Ų124.361%0.60756%0.561SS**Hα-helixtrans-61.8-44.2175.9-170.6176171.700111.5R569 E575 R576 L577R569-E573 PolarHBondContact O-N 2.84Å; E573-E575 PolarHBondContact O-N 3.42Å; E573-R576 PolarHBondContact O-N 3Å; E573-L577 HydrophobicContact CG-CD1 4.3Å; E573-L577 WeakPolarHBondContact O-CB 3.41Å; E573-L577 WeakPolarHBondContact O-CG 3.42Å; E573-L577 PolarHBondContact O-N 3.18Å
574A92.7Very high92Very high53 Ų53123.9 Ų123.944%0.43856%0.559SS.*Hα-helixtrans-62.9-40174.600000112.7E570 R571 E572 L577 Q578E570-A574 VanDerWaalsContact O-CB 3.25Å; E570-A574 WeakPolarHBondContact O-CB 3.28Å; E570-A574 PolarHBondContact O-N 2.9Å; R571-A574 PolarHBondContact O-N 3.41Å; E572-A574 PolarHBondContact O-N 3.44Å; A574-L577 PolarHBondContact O-N 3.43Å; A574-Q578 WeakPolarHBondContact O-CB 3.46Å; A574-Q578 PolarHBondContact O-N 2.8Å
575E93.1Very high92Very high133 Ų133122.8 Ų122.862%0.62155%0.554SS**Hα-helixtrans-64.9-43174.9-170.5-175.5139.700111R571 E572 E573 L577 Q578 K579R571-E575 WeakPolarHBondContact O-CB 3.39Å; R571-E575 PolarHBondContact O-N 3.2Å; E572-E575 PolarHBondContact O-N 2.92Å; E573-E575 PolarHBondContact O-N 3.42Å; E575-L577 PolarHBondContact O-N 2.88Å; E575-Q578 PolarHBondContact O-N 3.44Å; E575-K579 VanDerWaalsContact O-CB 3.27Å; E575-K579 WeakPolarHBondContact O-CB 3.34Å; E575-K579 PolarHBondContact O-N 2.85Å
576R93.1Very high91.8Very high171 Ų171121.6 Ų121.665%0.64556%0.556SS**Hα-helixtrans-63.1-40.9176.3-70.4-173.171.2161.62112.1E572 E573 K579 Q580E572-R576 WeakPolarHBondContact O-CG 3.31Å; E572-R576 PolarHBondContact O-N 3.49Å; E573-R576 PolarHBondContact O-N 3Å; R576-K579 PolarHBondContact O-N 3.21Å; R576-Q580 WeakPolarHBondContact O-CG 3.35Å; R576-Q580 PolarHBondContact O-N 2.86Å
577L90.4Very high91.6Very high81 Ų81120.1 Ų120.142%0.42455%0.55SS..Hα-helixtrans-68.9-31.5174.3-71170.7000113E573 A574 E575 K581E573-L577 HydrophobicContact CG-CD1 4.3Å; E573-L577 WeakPolarHBondContact O-CB 3.41Å; E573-L577 WeakPolarHBondContact O-CG 3.42Å; E573-L577 PolarHBondContact O-N 3.18Å; A574-L577 PolarHBondContact O-N 3.43Å; E575-L577 PolarHBondContact O-N 2.88Å; L577-K581 WeakPolarHBondContact O-CD 3.32Å; L577-K581 WeakPolarHBondContact O-CG 3.41Å; L577-K581 PolarHBondContact O-N 2.96Å
578Q90.3Very high91.5Very high128 Ų128121.9 Ų121.960%0.59856%0.559SS**Hα-helixtrans-70.9-43.3172-179.2173.6-30.100110.9A574 E575 Q580 K581 E582A574-Q578 WeakPolarHBondContact O-CB 3.46Å; A574-Q578 PolarHBondContact O-N 2.8Å; E575-Q578 PolarHBondContact O-N 3.44Å; Q578-Q580 PolarHBondContact O-N 3.43Å; Q578-K581 WeakPolarHBondContact O-CB 3.5Å; Q578-K581 PolarHBondContact O-N 3.45Å; Q578-K581 VanDerWaalsContact O-N 3.13Å; Q578-E582 PolarHBondContact O-N 2.96Å
579K93.9Very high91.2Very high138 Ų138124.3 Ų124.360%0.656%0.564SS**Hα-helixtrans-64.4-36.3180-171.4170.2-174.8169.80112.8E575 R576 E582 E583E575-K579 VanDerWaalsContact O-CB 3.27Å; E575-K579 WeakPolarHBondContact O-CB 3.34Å; E575-K579 PolarHBondContact O-N 2.85Å; R576-K579 PolarHBondContact O-N 3.21Å; K579-E582 PolarHBondContact O-N 3.45Å; K579-E583 WeakPolarHBondContact O-CB 3.35Å; K579-E583 PolarHBondContact O-N 3.37Å
580Q90.3Very high91Very high121 Ų121123.5 Ų123.557%0.56557%0.566SS**Hα-helixtrans-60.5-45.9170.4-77.2178-32.300111.8R576 Q578 E583 E584R576-Q580 WeakPolarHBondContact O-CG 3.35Å; R576-Q580 PolarHBondContact O-N 2.86Å; Q578-Q580 PolarHBondContact O-N 3.43Å; Q580-E583 PolarHBondContact O-N 3.48Å; Q580-E584 WeakPolarHBondContact O-CG 3.43Å; Q580-E584 PolarHBondContact O-N 3.25Å
581K94.2Very high90.8Very high140 Ų140123.7 Ų123.761%0.60957%0.567SS**Hα-helixtrans-66.7-37.1177.7-67.4166.2-173.9167.40112.5L577 Q578 E584 E585L577-K581 WeakPolarHBondContact O-CD 3.32Å; L577-K581 WeakPolarHBondContact O-CG 3.41Å; L577-K581 PolarHBondContact O-N 2.96Å; Q578-K581 WeakPolarHBondContact O-CB 3.5Å; Q578-K581 PolarHBondContact O-N 3.45Å; Q578-K581 VanDerWaalsContact O-N 3.13Å; K581-E584 PolarHBondContact O-N 2.85Å; K581-E585 WeakPolarHBondContact O-CB 3.44Å; K581-E585 PolarHBondContact O-N 2.87Å
582E89.4Confident90.8Very high126 Ų126118.5 Ų118.559%0.58956%0.559SS**Hα-helixtrans-70.2-34.1175.5-172.5168.7-172.300111.7Q578 K579 S586Q578-E582 PolarHBondContact O-N 2.96Å; K579-E582 PolarHBondContact O-N 3.45Å; E582-S586 WeakPolarHBondContact O-CB 3.43Å; E582-S586 PolarHBondContact O-N 3.49Å
583E90.3Very high90.6Very high100 Ų100118.1 Ų118.147%0.46756%0.558SS.*Hα-helixtrans-67.4-43.9171.4-163.7-171.1141.200111.7K579 Q580 S586 R587K579-E583 WeakPolarHBondContact O-CB 3.35Å; K579-E583 PolarHBondContact O-N 3.37Å; Q580-E583 PolarHBondContact O-N 3.48Å; E583-S586 PolarHBondContact O-N 2.86Å; E583-R587 VanDerWaalsContact O-CG 3.31Å; E583-R587 WeakPolarHBondContact O-CG 3.44Å; E583-R587 PolarHBondContact O-N 2.99Å; E583-R587 IonicContact OE1-CZ 3.5Å; E583-R587 VanDerWaalsContact OE1-CZ 3.26Å; E583-R587 IonicContact OE1-NE 3.11Å; E583-R587 PolarHBondContact OE1-NE 3.42Å; E583-R587 IonicContact OE1-NH2 3.19Å; E583-R587 PolarHBondContact OE1-NH2 2.92Å
584E89.3Confident90.7Very high130 Ų130120.4 Ų120.461%0.60756%0.561SS**Hα-helixtrans-61-45.1173.6-73.1-179.416300111.9Q580 K581 S586 R587 L588Q580-E584 WeakPolarHBondContact O-CG 3.43Å; Q580-E584 PolarHBondContact O-N 3.25Å; K581-E584 PolarHBondContact O-N 2.85Å; E584-S586 VanDerWaalsContact C-N 3.35Å; E584-S586 PolarHBondContact O-N 3.14Å; E584-R587 PolarHBondContact O-N 3.42Å; E584-L588 WeakPolarHBondContact O-CG 3.44Å; E584-L588 PolarHBondContact O-N 3.12Å
585E88.9Confident90.6Very high98 Ų98121.8 Ų121.846%0.45856%0.56SS.*Hα-helixtrans-66-37.6175.5-158.6-167.5151.100111.7K581 L588 R589K581-E585 WeakPolarHBondContact O-CB 3.44Å; K581-E585 PolarHBondContact O-N 2.87Å; E585-L588 PolarHBondContact O-N 2.82Å; E585-R589 WeakPolarHBondContact O-CB 3.43Å; E585-R589 VanDerWaalsContact O-CG 3.27Å; E585-R589 WeakPolarHBondContact O-CG 3.41Å; E585-R589 PolarHBondContact O-N 3.45Å; E585-R589 IonicContact OE1-CZ 2.75Å; E585-R589 IonicContact OE1-NE 3.48Å; E585-R589 PolarHBondContact OE1-NE 2.89Å; E585-R589 IonicContact OE1-NH2 2.7Å; E585-R589 PolarHBondContact OE1-NH2 3.36Å; E585-R589 IonicContact OE2-NH2 3.33Å
586S89.8Confident90.4Very high66 Ų66124.6 Ų124.646%0.46257%0.565SS.*Hα-helixtrans-63-45.5175.7-170.70000111.5E582 E583 E584 L588 R589 E590E582-S586 WeakPolarHBondContact O-CB 3.43Å; E582-S586 PolarHBondContact O-N 3.49Å; E583-S586 PolarHBondContact O-N 2.86Å; E584-S586 VanDerWaalsContact C-N 3.35Å; E584-S586 PolarHBondContact O-N 3.14Å; S586-L588 VanDerWaalsContact C-N 3.34Å; S586-L588 PolarHBondContact O-N 3.15Å; S586-R589 CarbonylContact O-C 3.54Å; S586-R589 WeakPolarHBondContact O-CB 3.14Å; S586-R589 PolarHBondContact O-N 3.39Å; S586-R589 VanDerWaalsContact O-N 3.13Å; S586-E590 PolarHBondContact O-N 2.9Å
587R90.3Very high90.3Very high158 Ų158119.8 Ų119.860%0.59655%0.55SS**Hα-helixtrans-59.1-42.4174.3-71.9169.5-179.6-128.47.4111.8E583 E584 E590 E591E583-R587 VanDerWaalsContact O-CG 3.31Å; E583-R587 WeakPolarHBondContact O-CG 3.44Å; E583-R587 PolarHBondContact O-N 2.99Å; E583-R587 IonicContact OE1-CZ 3.5Å; E583-R587 VanDerWaalsContact OE1-CZ 3.26Å; E583-R587 IonicContact OE1-NE 3.11Å; E583-R587 PolarHBondContact OE1-NE 3.42Å; E583-R587 IonicContact OE1-NH2 3.19Å; E583-R587 PolarHBondContact OE1-NH2 2.92Å; E584-R587 PolarHBondContact O-N 3.42Å; R587-E590 PolarHBondContact O-N 3.4Å; R587-E591 WeakPolarHBondContact O-CB 3.45Å; R587-E591 PolarHBondContact O-N 3.43Å
588L91.8Very high90.3Very high114 Ų114121.9 Ų121.960%0.59756%0.557SS**Hα-helixtrans-65.8-35.6175.2-70.8169.3000112.7E584 E585 S586 A592E584-L588 WeakPolarHBondContact O-CG 3.44Å; E584-L588 PolarHBondContact O-N 3.12Å; E585-L588 PolarHBondContact O-N 2.82Å; S586-L588 VanDerWaalsContact C-N 3.34Å; S586-L588 PolarHBondContact O-N 3.15Å; L588-A592 WeakPolarHBondContact O-CB 3.18Å; L588-A592 PolarHBondContact O-N 2.84Å
589R86.8Confident90.3Very high161 Ų161123.9 Ų123.961%0.60856%0.56SS**Hα-helixtrans-69.7-41.1173.6-71.7170.7-179.8-162.46.7111.7E585 S586 A592 E593E585-R589 WeakPolarHBondContact O-CB 3.43Å; E585-R589 VanDerWaalsContact O-CG 3.27Å; E585-R589 WeakPolarHBondContact O-CG 3.41Å; E585-R589 PolarHBondContact O-N 3.45Å; E585-R589 IonicContact OE1-CZ 2.75Å; E585-R589 IonicContact OE1-NE 3.48Å; E585-R589 PolarHBondContact OE1-NE 2.89Å; E585-R589 IonicContact OE1-NH2 2.7Å; E585-R589 PolarHBondContact OE1-NH2 3.36Å; E585-R589 IonicContact OE2-NH2 3.33Å; S586-R589 CarbonylContact O-C 3.54Å; S586-R589 WeakPolarHBondContact O-CB 3.14Å; S586-R589 PolarHBondContact O-N 3.39Å; S586-R589 VanDerWaalsContact O-N 3.13Å; R589-A592 PolarHBondContact O-N 3.41Å; R589-E593 PolarHBondContact O-N 2.96Å
590E88.8Confident90.2Very high133 Ų133122.7 Ų122.762%0.62156%0.556SS**Hα-helixtrans-63.2-44.6175.4-169.5-169.6153.800111.2S586 R587 A592 E593 R594S586-E590 PolarHBondContact O-N 2.9Å; R587-E590 PolarHBondContact O-N 3.4Å; E590-A592 PolarHBondContact O-N 2.86Å; E590-E593 PolarHBondContact O-N 3.48Å; E590-R594 VanDerWaalsContact O-CB 3.3Å; E590-R594 WeakPolarHBondContact O-CB 3.4Å; E590-R594 PolarHBondContact O-N 2.7Å
591E89.2Confident90.3Very high133 Ų133121.9 Ų121.962%0.62155%0.551SS**Hα-helixtrans-62.6-41.9175.5-172.6174.9-160.600111.7R587 E593 R594 L595R587-E591 WeakPolarHBondContact O-CB 3.45Å; R587-E591 PolarHBondContact O-N 3.43Å; E591-E593 VanDerWaalsContact C-N 3.35Å; E591-E593 PolarHBondContact O-N 2.87Å; E591-R594 PolarHBondContact O-N 2.77Å; E591-L595 WeakPolarHBondContact O-CB 3.32Å; E591-L595 PolarHBondContact O-N 3.28Å
592A89.6Confident90.1Very high55 Ų55121.2 Ų121.246%0.45555%0.55SS..Hα-helixtrans-65.2-34.617500000113L588 R589 E590 R596L588-A592 WeakPolarHBondContact O-CB 3.18Å; L588-A592 PolarHBondContact O-N 2.84Å; R589-A592 PolarHBondContact O-N 3.41Å; E590-A592 PolarHBondContact O-N 2.86Å; A592-R596 PolarHBondContact O-N 2.75Å
593E88.8Confident90.2Very high111 Ų111121.4 Ų121.452%0.51955%0.549SS..Hα-helixtrans-72.7-43.9173.3-159.5-161.411900111.4R589 E590 E591 L595 R596 Q597R589-E593 PolarHBondContact O-N 2.96Å; E590-E593 PolarHBondContact O-N 3.48Å; E591-E593 VanDerWaalsContact C-N 3.35Å; E591-E593 PolarHBondContact O-N 2.87Å; E593-L595 PolarHBondContact O-N 3.43Å; E593-R596 CarbonylContact O-C 3.58Å; E593-R596 WeakPolarHBondContact O-CA 3.28Å; E593-R596 VanDerWaalsContact O-CB 3.31Å; E593-R596 WeakPolarHBondContact O-CB 3.31Å; E593-R596 PolarHBondContact O-N 3.06Å; E593-Q597 PolarHBondContact O-N 3.07Å; E593-Q597 PolarHBondContact OE1-NE2 2.88Å
594R93.1Very high90.2Very high179 Ų179121.5 Ų121.568%0.67555%0.549SS*.Hα-helixtrans-54.5-41.9174.3-179.8178.6173.6174.9-1.9111.3E590 E591 R596 Q597 E598E590-R594 VanDerWaalsContact O-CB 3.3Å; E590-R594 WeakPolarHBondContact O-CB 3.4Å; E590-R594 PolarHBondContact O-N 2.7Å; E591-R594 PolarHBondContact O-N 2.77Å; R594-R596 VanDerWaalsContact C-N 3.34Å; R594-R596 PolarHBondContact O-N 2.74Å; R594-Q597 PolarHBondContact O-N 2.89Å; R594-E598 WeakPolarHBondContact O-CB 3.47Å; R594-E598 PolarHBondContact O-N 3.23Å
595L90.5Very high90.3Very high81 Ų81122.7 Ų122.742%0.42455%0.552SS.*Hα-helixtrans-67.2-29.6174.7-175.361.3000113.1E591 E593 R599E591-L595 WeakPolarHBondContact O-CB 3.32Å; E591-L595 PolarHBondContact O-N 3.28Å; E593-L595 PolarHBondContact O-N 3.43Å; L595-R599 WeakPolarHBondContact O-CD 3.33Å; L595-R599 VanDerWaalsContact O-CG 3.25Å; L595-R599 WeakPolarHBondContact O-CG 3.47Å; L595-R599 PolarHBondContact O-N 3.41Å
596R90.2Very high90.4Very high192 Ų192121.2 Ų121.273%0.72555%0.546SS*.Hα-helixtrans-70.4-49.2168.9-72.1180173.4-150.10.5111.3A592 E593 R594 E598 R599 E600A592-R596 PolarHBondContact O-N 2.75Å; E593-R596 CarbonylContact O-C 3.58Å; E593-R596 WeakPolarHBondContact O-CA 3.28Å; E593-R596 VanDerWaalsContact O-CB 3.31Å; E593-R596 WeakPolarHBondContact O-CB 3.31Å; E593-R596 PolarHBondContact O-N 3.06Å; R594-R596 VanDerWaalsContact C-N 3.34Å; R594-R596 PolarHBondContact O-N 2.74Å; R596-E598 PolarHBondContact O-N 3.33Å; R596-R599 PolarHBondContact O-N 2.7Å; R596-R599 VanDerWaalsContact O-N 3.14Å; R596-E600 PolarHBondContact O-N 3.37Å
597Q90.1Very high90.3Very high71 Ų71123.4 Ų123.433%0.33255%0.548SS..Hα-helixtrans-59.4-34.4177.5-65.7-172.420.600111.7E593 R594 E600 K601E593-Q597 PolarHBondContact O-N 3.07Å; E593-Q597 PolarHBondContact OE1-NE2 2.88Å; R594-Q597 PolarHBondContact O-N 2.89Å; Q597-E600 PolarHBondContact O-N 3.25Å; Q597-K601 VanDerWaalsContact O-CB 3.26Å; Q597-K601 WeakPolarHBondContact O-CB 3.16Å; Q597-K601 VanDerWaalsContact O-CD 3.3Å; Q597-K601 WeakPolarHBondContact O-CD 3.38Å; Q597-K601 WeakPolarHBondContact O-CG 3.43Å; Q597-K601 PolarHBondContact O-N 3Å
598E90.9Very high90.2Very high124 Ų124118.5 Ų118.558%0.57954%0.542SS*.Hα-helixtrans-67.9-43.1175.3-177.5167.2-149.300112.1R594 R596 E600 K601 H602R594-E598 WeakPolarHBondContact O-CB 3.47Å; R594-E598 PolarHBondContact O-N 3.23Å; R596-E598 PolarHBondContact O-N 3.33Å; E598-E600 VanDerWaalsContact C-N 3.32Å; E598-E600 PolarHBondContact O-N 2.86Å; E598-K601 PolarHBondContact O-N 2.73Å; E598-H602 WeakPolarHBondContact O-CB 3.29Å; E598-H602 PolarHBondContact O-N 2.66Å
599R90.2Very high90.2Very high170 Ų170116.9 Ų116.964%0.64253%0.531SS*.Hα-helixtrans-62.9-38.7173.5-68.8166.9-171.7-161.52.2112L595 R596 H602 F603L595-R599 WeakPolarHBondContact O-CD 3.33Å; L595-R599 VanDerWaalsContact O-CG 3.25Å; L595-R599 WeakPolarHBondContact O-CG 3.47Å; L595-R599 PolarHBondContact O-N 3.41Å; R596-R599 PolarHBondContact O-N 2.7Å; R596-R599 VanDerWaalsContact O-N 3.14Å; R599-H602 WeakPolarHBondContact O-CB 3.3Å; R599-H602 PolarHBondContact O-N 3.01Å; R599-F603 PolarHBondContact O-N 2.94Å
600E91Very high90.4Very high113 Ų113116.7 Ų116.753%0.52853%0.53SS..Hα-helixtrans-67.7-46.6174.9-171.6179.5-179.800111.6R596 Q597 E598 H602 F603 Q604R596-E600 PolarHBondContact O-N 3.37Å; Q597-E600 PolarHBondContact O-N 3.25Å; E598-E600 VanDerWaalsContact C-N 3.32Å; E598-E600 PolarHBondContact O-N 2.86Å; E600-H602 PolarHBondContact O-N 2.67Å; E600-F603 PolarHBondContact O-N 3.19Å; E600-F603 VanDerWaalsContact O-N 3.07Å; E600-Q604 HydrophobicContact CG-CG 4.48Å; E600-Q604 WeakPolarHBondContact O-CG 3.31Å; E600-Q604 PolarHBondContact O-N 3.34Å; E600-Q604 PolarHBondContact OE1-NE2 2.69Å
601K93.4Very high90.4Very high104 Ų104115.4 Ų115.445%0.45253%0.527SS..Hα-helixtrans-61.7-32.1174.2-72.3161-167.9164.30111.8Q597 E598 K605Q597-K601 VanDerWaalsContact O-CB 3.26Å; Q597-K601 WeakPolarHBondContact O-CB 3.16Å; Q597-K601 VanDerWaalsContact O-CD 3.3Å; Q597-K601 WeakPolarHBondContact O-CD 3.38Å; Q597-K601 WeakPolarHBondContact O-CG 3.43Å; Q597-K601 PolarHBondContact O-N 3Å; E598-K601 PolarHBondContact O-N 2.73Å; K601-K605 VanDerWaalsContact O-CB 3.31Å; K601-K605 WeakPolarHBondContact O-CB 3.27Å; K601-K605 WeakPolarHBondContact O-CD 3.36Å; K601-K605 WeakPolarHBondContact O-CG 3.13Å; K601-K605 PolarHBondContact O-N 2.83Å
602H90.6Very high90.4Very high127 Ų127115.3 Ų115.359%0.58853%0.527SS*.Hα-helixtrans-66-46.8170.6-179.1-68.2000111.3E598 R599 E600 K605 E606E598-H602 WeakPolarHBondContact O-CB 3.29Å; E598-H602 PolarHBondContact O-N 2.66Å; R599-H602 WeakPolarHBondContact O-CB 3.3Å; R599-H602 PolarHBondContact O-N 3.01Å; E600-H602 PolarHBondContact O-N 2.67Å; H602-K605 PolarHBondContact O-N 2.78Å; H602-E606 PolarHBondContact O-N 2.97Å
603F91.1Very high90.4Very high130 Ų130119.7 Ų119.757%0.5753%0.532SS*.Hα-helixtrans-63.1-45.5177.5-172-93.3000112.2R599 E600 K605 E606 E607R599-F603 PolarHBondContact O-N 2.94Å; E600-F603 PolarHBondContact O-N 3.19Å; E600-F603 VanDerWaalsContact O-N 3.07Å; F603-K605 VanDerWaalsContact C-N 3.32Å; F603-K605 PolarHBondContact O-N 2.97Å; F603-E606 PolarHBondContact O-N 3.3Å; F603-E606 VanDerWaalsContact O-N 3.15Å; F603-E607 PolarHBondContact O-N 3.39Å
604Q90.4Very high90.7Very high102 Ų102120.8 Ų120.848%0.47754%0.535SS..Hα-helixtrans-61.5-37.7174.7-69177.49.600112.1E600 A608E600-Q604 HydrophobicContact CG-CG 4.48Å; E600-Q604 WeakPolarHBondContact O-CG 3.31Å; E600-Q604 PolarHBondContact O-N 3.34Å; E600-Q604 PolarHBondContact OE1-NE2 2.69Å; Q604-A608 VanDerWaalsContact O-CB 3.24Å; Q604-A608 WeakPolarHBondContact O-CB 3.43Å; Q604-A608 PolarHBondContact O-N 2.69Å
605K91.8Very high90.7Very high154 Ų154119.4 Ų119.467%0.6753%0.534SS*.Hα-helixtrans-64.5-43.1172.1-79.2169.4-178.4179.90111.9K601 H602 F603 A608 E609K601-K605 VanDerWaalsContact O-CB 3.31Å; K601-K605 WeakPolarHBondContact O-CB 3.27Å; K601-K605 WeakPolarHBondContact O-CD 3.36Å; K601-K605 WeakPolarHBondContact O-CG 3.13Å; K601-K605 PolarHBondContact O-N 2.83Å; H602-K605 PolarHBondContact O-N 2.78Å; F603-K605 VanDerWaalsContact C-N 3.32Å; F603-K605 PolarHBondContact O-N 2.97Å; K605-A608 PolarHBondContact O-N 3.38Å; K605-E609 WeakPolarHBondContact O-CB 3.49Å; K605-E609 PolarHBondContact O-N 2.87Å
606E90.3Very high90.7Very high68 Ų68123.6 Ų123.632%0.31854%0.544SS..Hα-helixtrans-64.2-43.4176.4-159.2-158.614200111.2H602 F603 E609 R610H602-E606 PolarHBondContact O-N 2.97Å; F603-E606 PolarHBondContact O-N 3.3Å; F603-E606 VanDerWaalsContact O-N 3.15Å; E606-E609 CarbonylContact O-C 3.59Å; E606-E609 PolarHBondContact O-N 2.87Å; E606-R610 WeakPolarHBondContact O-CB 3.19Å; E606-R610 WeakPolarHBondContact O-CG 3.48Å; E606-R610 PolarHBondContact O-N 3.25Å; E606-R610 IonicContact OE1-CZ 3.41Å; E606-R610 IonicContact OE1-NE 2.79Å; E606-R610 PolarHBondContact OE1-NE 2.83Å; E606-R610 IonicContact OE1-NH2 3.13Å; E606-R610 PolarHBondContact OE1-NH2 3.02Å
607E86.7Confident90.7Very high111 Ų111119.4 Ų119.452%0.51954%0.535SS..Hα-helixtrans-65.6-41.8177.4-173.7166.9-152.400112.1F603 E609 R610 L611F603-E607 PolarHBondContact O-N 3.39Å; E607-E609 VanDerWaalsContact C-N 3.35Å; E607-E609 PolarHBondContact O-N 2.77Å; E607-R610 WeakPolarHBondContact O-CB 3.28Å; E607-R610 PolarHBondContact O-N 2.73Å; E607-L611 WeakPolarHBondContact O-CG 3.44Å; E607-L611 PolarHBondContact O-N 3.24Å
608A89Confident90.5Very high55 Ų55120.2 Ų120.246%0.45554%0.539SS..Hα-helixtrans-60.8-42.2171.600000111.8Q604 K605 L611 E612Q604-A608 VanDerWaalsContact O-CB 3.24Å; Q604-A608 WeakPolarHBondContact O-CB 3.43Å; Q604-A608 PolarHBondContact O-N 2.69Å; K605-A608 PolarHBondContact O-N 3.38Å; A608-L611 CarbonylContact O-C 3.59Å; A608-L611 PolarHBondContact O-N 2.89Å; A608-E612 WeakPolarHBondContact O-CB 2.89Å; A608-E612 PolarHBondContact O-N 2.9Å
609E91.2Very high90.4Very high81 Ų81120.2 Ų120.238%0.37954%0.539SS..Hα-helixtrans-67.6-35.4175.5-155.1-151.7166.400111.7K605 E606 E607 L611 E612 R613K605-E609 WeakPolarHBondContact O-CB 3.49Å; K605-E609 PolarHBondContact O-N 2.87Å; E606-E609 CarbonylContact O-C 3.59Å; E606-E609 PolarHBondContact O-N 2.87Å; E607-E609 VanDerWaalsContact C-N 3.35Å; E607-E609 PolarHBondContact O-N 2.77Å; E609-L611 VanDerWaalsContact C-N 3.32Å; E609-L611 PolarHBondContact O-N 3.14Å; E609-E612 PolarHBondContact O-N 3.12Å; E609-R613 VanDerWaalsContact CD-CZ 3.44Å; E609-R613 HydrophobicContact CG-CG 4.43Å; E609-R613 VanDerWaalsContact O-CB 3.23Å; E609-R613 WeakPolarHBondContact O-CB 3.48Å; E609-R613 WeakPolarHBondContact O-CG 3.34Å; E609-R613 PolarHBondContact O-N 3.19Å; E609-R613 IonicContact OE1-CZ 2.79Å; E609-R613 IonicContact OE1-NE 3.95Å; E609-R613 PolarHBondContact OE1-NE 3.36Å; E609-R613 IonicContact OE1-NH2 2.65Å; E609-R613 PolarHBondContact OE1-NH2 3.03Å; E609-R613 IonicContact OE2-CZ 3.62Å; E609-R613 IonicContact OE2-NE 3.54Å; E609-R613 PolarHBondContact OE2-NE 3.38Å; E609-R613 IonicContact OE2-NH2 3.2Å; E609-R613 PolarHBondContact OE2-NH2 3.18Å
610R91.5Very high90.2Very high157 Ų157115 Ų11559%0.59252%0.523SS*.Hα-helixtrans-62.6-41.3172.8-63.1-105.2-165.1136.23.8110.6E606 E607 K614E606-R610 WeakPolarHBondContact O-CB 3.19Å; E606-R610 WeakPolarHBondContact O-CG 3.48Å; E606-R610 PolarHBondContact O-N 3.25Å; E606-R610 IonicContact OE1-CZ 3.41Å; E606-R610 IonicContact OE1-NE 2.79Å; E606-R610 PolarHBondContact OE1-NE 2.83Å; E606-R610 IonicContact OE1-NH2 3.13Å; E606-R610 PolarHBondContact OE1-NH2 3.02Å; E607-R610 WeakPolarHBondContact O-CB 3.28Å; E607-R610 PolarHBondContact O-N 2.73Å; R610-K614 VanDerWaalsContact O-CB 3.23Å; R610-K614 WeakPolarHBondContact O-CB 3.45Å; R610-K614 PolarHBondContact O-N 2.8Å
611L89Confident89.8Confident106 Ų106113.7 Ų113.756%0.55552%0.518SS*.Hα-helixtrans-69.9-37.3174.8-69.9175.3000112.5E607 A608 E609 K614 K615E607-L611 WeakPolarHBondContact O-CG 3.44Å; E607-L611 PolarHBondContact O-N 3.24Å; A608-L611 CarbonylContact O-C 3.59Å; A608-L611 PolarHBondContact O-N 2.89Å; E609-L611 VanDerWaalsContact C-N 3.32Å; E609-L611 PolarHBondContact O-N 3.14Å; L611-K614 PolarHBondContact O-N 2.78Å; L611-K615 VanDerWaalsContact O-CB 3.28Å; L611-K615 WeakPolarHBondContact O-CB 3.32Å; L611-K615 PolarHBondContact O-N 3.39Å
612E89.7Confident89.4Confident131 Ų131114.4 Ų114.461%0.61252%0.521SS*.Hα-helixtrans-68.2-47.2174.4-173.9178.4-168.800111.5A608 E609 K614 K615 R616A608-E612 WeakPolarHBondContact O-CB 2.89Å; A608-E612 PolarHBondContact O-N 2.9Å; E609-E612 PolarHBondContact O-N 3.12Å; E612-K614 VanDerWaalsContact C-N 3.26Å; E612-K614 PolarHBondContact O-N 2.87Å; E612-K615 PolarHBondContact O-N 2.98Å; E612-K615 VanDerWaalsContact O-N 3.14Å; E612-R616 VanDerWaalsContact O-CB 3.27Å; E612-R616 WeakPolarHBondContact O-CB 3.37Å; E612-R616 PolarHBondContact O-N 2.9Å
613R89.6Confident88.9Confident147 Ų147116.7 Ų116.756%0.55553%0.525SS*.Hα-helixtrans-55.5-42.8172-72.5169.8180-170.18.6110.7E609 L617E609-R613 VanDerWaalsContact CD-CZ 3.44Å; E609-R613 HydrophobicContact CG-CG 4.43Å; E609-R613 VanDerWaalsContact O-CB 3.23Å; E609-R613 WeakPolarHBondContact O-CB 3.48Å; E609-R613 WeakPolarHBondContact O-CG 3.34Å; E609-R613 PolarHBondContact O-N 3.19Å; E609-R613 IonicContact OE1-CZ 2.79Å; E609-R613 IonicContact OE1-NE 3.95Å; E609-R613 PolarHBondContact OE1-NE 3.36Å; E609-R613 IonicContact OE1-NH2 2.65Å; E609-R613 PolarHBondContact OE1-NH2 3.03Å; E609-R613 IonicContact OE2-CZ 3.62Å; E609-R613 IonicContact OE2-NE 3.54Å; E609-R613 PolarHBondContact OE2-NE 3.38Å; E609-R613 IonicContact OE2-NH2 3.2Å; E609-R613 PolarHBondContact OE2-NH2 3.18Å; R613-L617 VanDerWaalsContact O-CB 3.28Å; R613-L617 WeakPolarHBondContact O-CB 3.38Å; R613-L617 PolarHBondContact O-N 3.19Å
614K93.8Very high88.2Confident134 Ų134115 Ų11558%0.58353%0.525SS*.Hα-helixtrans-64.5-45174.4-177.8-176.7176.8-174.70112.3R610 L611 E612 L617 E618R610-K614 VanDerWaalsContact O-CB 3.23Å; R610-K614 WeakPolarHBondContact O-CB 3.45Å; R610-K614 PolarHBondContact O-N 2.8Å; L611-K614 PolarHBondContact O-N 2.78Å; E612-K614 VanDerWaalsContact C-N 3.26Å; E612-K614 PolarHBondContact O-N 2.87Å; K614-L617 PolarHBondContact O-N 3.41Å; K614-E618 WeakPolarHBondContact O-CB 3.4Å; K614-E618 PolarHBondContact O-N 3.19Å
615K93.8Very high87.3Confident150 Ų150119 Ų11965%0.65254%0.536SS*.Hα-helixtrans-63.9-43.4177.7-179.4-174.5174.1-170.10111.5L611 E612 E618 E619L611-K615 VanDerWaalsContact O-CB 3.28Å; L611-K615 WeakPolarHBondContact O-CB 3.32Å; L611-K615 PolarHBondContact O-N 3.39Å; E612-K615 PolarHBondContact O-N 2.98Å; E612-K615 VanDerWaalsContact O-N 3.14Å; K615-E618 CarbonylContact O-C 3.55Å; K615-E618 PolarHBondContact O-N 3.1Å; K615-E619 WeakPolarHBondContact O-CB 3.48Å; K615-E619 PolarHBondContact O-N 3.08Å
616R91.1Very high85.8Confident169 Ų169122.3 Ų122.364%0.63854%0.544SS*.Hα-helixtrans-64.4-39.5174.3-174.3179.6178.9-165.90.4111.3E612 E619 I620E612-R616 VanDerWaalsContact O-CB 3.27Å; E612-R616 WeakPolarHBondContact O-CB 3.37Å; E612-R616 PolarHBondContact O-N 2.9Å; R616-E619 PolarHBondContact O-N 3.44Å; R616-I620 HydrophobicContact CG-CD1 4.15Å; R616-I620 WeakPolarHBondContact O-CB 3.44Å; R616-I620 WeakPolarHBondContact O-CD1 3.49Å; R616-I620 WeakPolarHBondContact O-CG1 3.37Å; R616-I620 PolarHBondContact O-N 3.49Å
617L89.7Confident84Confident103 Ų103123.5 Ų123.554%0.53956%0.559SS.*Hα-helixtrans-65.4-43.4172.5-167.874.7000111.2R613 K614 E619 I620 M621R613-L617 VanDerWaalsContact O-CB 3.28Å; R613-L617 WeakPolarHBondContact O-CB 3.38Å; R613-L617 PolarHBondContact O-N 3.19Å; K614-L617 PolarHBondContact O-N 3.41Å; L617-E619 VanDerWaalsContact C-N 3.34Å; L617-E619 PolarHBondContact O-N 2.9Å; L617-I620 CarbonylContact O-C 3.58Å; L617-I620 PolarHBondContact O-N 3.09Å; L617-M621 HydrophobicContact CG-SD 4.39Å; L617-M621 WeakPolarHBondContact O-CB 3.32Å; L617-M621 VanDerWaalsContact O-CG 3.27Å; L617-M621 WeakPolarHBondContact O-CG 3.45Å; L617-M621 PolarHBondContact O-N 3.36Å
618E86.9Confident82.5Confident88 Ų88124.8 Ų124.841%0.41157%0.57SS.*Hα-helixtrans-64-37.1176.1-166.2-167.3142.700111.9K614 K615 M621 K622K614-E618 WeakPolarHBondContact O-CB 3.4Å; K614-E618 PolarHBondContact O-N 3.19Å; K615-E618 CarbonylContact O-C 3.55Å; K615-E618 PolarHBondContact O-N 3.1Å; E618-M621 CarbonylContact O-C 3.59Å; E618-M621 PolarHBondContact O-N 3.48Å; E618-K622 HydrophobicContact CG-CD 4.31Å; E618-K622 VanDerWaalsContact O-CB 3.29Å; E618-K622 WeakPolarHBondContact O-CB 3.39Å; E618-K622 VanDerWaalsContact O-CG 3.32Å; E618-K622 WeakPolarHBondContact O-CG 3.42Å; E618-K622 PolarHBondContact O-N 3.4Å; E618-K622 WeakPolarHBondContact OE1-CE 3.45Å; E618-K622 IonicContact OE1-NZ 2.87Å; E618-K622 PolarHBondContact OE1-NZ 2.9Å
619E88.2Confident80.6Confident125 Ų125129 Ų12958%0.58459%0.591SS**Hα-helixtrans-66.7-43.5172.5-178.7173.6-151.200111.6K615 R616 L617 M621 K622 R623K615-E619 WeakPolarHBondContact O-CB 3.48Å; K615-E619 PolarHBondContact O-N 3.08Å; R616-E619 PolarHBondContact O-N 3.44Å; L617-E619 VanDerWaalsContact C-N 3.34Å; L617-E619 PolarHBondContact O-N 2.9Å; E619-M621 VanDerWaalsContact C-N 3.26Å; E619-M621 PolarHBondContact O-N 2.79Å; E619-K622 PolarHBondContact O-N 3.16Å; E619-R623 WeakPolarHBondContact O-CG 3.44Å; E619-R623 PolarHBondContact O-N 3.21Å
620I85.2Confident78.1Confident60 Ų60130.6 Ų130.631%0.30861%0.61SS.*Hα-helixtrans-61.3-34.8171.8-70.6164.4000111.3R616 L617 R623 T624R616-I620 HydrophobicContact CG-CD1 4.15Å; R616-I620 WeakPolarHBondContact O-CB 3.44Å; R616-I620 WeakPolarHBondContact O-CD1 3.49Å; R616-I620 WeakPolarHBondContact O-CG1 3.37Å; R616-I620 PolarHBondContact O-N 3.49Å; L617-I620 CarbonylContact O-C 3.58Å; L617-I620 PolarHBondContact O-N 3.09Å; I620-R623 WeakPolarHBondContact O-CG 3.45Å; I620-T624 WeakPolarHBondContact O-CG2 3.43Å; I620-T624 PolarHBondContact O-N 3.32Å; I620-T624 PolarHBondContact O-OG1 3.05Å
621M82.6Confident75.8Confident86 Ų86130 Ų13042%0.42462%0.619SS.*Hα-helixtrans-77.3-32.8173.8-70.7174.571.300112.7L617 E618 E619 T624 R625L617-M621 HydrophobicContact CG-SD 4.39Å; L617-M621 WeakPolarHBondContact O-CB 3.32Å; L617-M621 VanDerWaalsContact O-CG 3.27Å; L617-M621 WeakPolarHBondContact O-CG 3.45Å; L617-M621 PolarHBondContact O-N 3.36Å; E618-M621 CarbonylContact O-C 3.59Å; E618-M621 PolarHBondContact O-N 3.48Å; E619-M621 VanDerWaalsContact C-N 3.26Å; E619-M621 PolarHBondContact O-N 2.79Å; M621-T624 WeakPolarHBondContact CA-OG1 3.31Å; M621-T624 PolarHBondContact O-OG1 3.5Å; M621-R625 WeakPolarHBondContact O-CB 3.32Å; M621-R625 WeakPolarHBondContact O-CG 3.25Å; M621-R625 PolarHBondContact O-N 2.8Å
622K85.6Confident73.6Confident119 Ų119134.1 Ų134.152%0.51763%0.632SS.*Hα-helixtrans-71-44.9177-85.2169.1166.7169.10111E618 E619 T624 R625 R626E618-K622 HydrophobicContact CG-CD 4.31Å; E618-K622 VanDerWaalsContact O-CB 3.29Å; E618-K622 WeakPolarHBondContact O-CB 3.39Å; E618-K622 VanDerWaalsContact O-CG 3.32Å; E618-K622 WeakPolarHBondContact O-CG 3.42Å; E618-K622 PolarHBondContact O-N 3.4Å; E618-K622 WeakPolarHBondContact OE1-CE 3.45Å; E618-K622 IonicContact OE1-NZ 2.87Å; E618-K622 PolarHBondContact OE1-NZ 2.9Å; E619-K622 PolarHBondContact O-N 3.16Å; K622-T624 PolarHBondContact O-N 3.38Å; K622-R625 PolarHBondContact O-N 3.33Å; K622-R626 VanDerWaalsContact O-CB 3.24Å; K622-R626 WeakPolarHBondContact O-CB 3.12Å; K622-R626 VanDerWaalsContact O-CG 3.3Å; K622-R626 WeakPolarHBondContact O-CG 3.25Å; K622-R626 PolarHBondContact O-N 3.31Å
623R80.1Confident71.1Confident175 Ų175136.9 Ų136.966%0.6664%0.642SS**Hα-helixtrans-66.9-22.2176.277.1-172.4-171.9174.25.9113.5E619 I620E619-R623 WeakPolarHBondContact O-CG 3.44Å; E619-R623 PolarHBondContact O-N 3.21Å; I620-R623 WeakPolarHBondContact O-CG 3.45Å
624T76.4Confident68.6Low93 Ų93135.4 Ų135.457%0.57165%0.649SS**Hα-helixtrans-96.6-14.2174.655.20000114.2I620 M621 K622I620-T624 WeakPolarHBondContact O-CG2 3.43Å; I620-T624 PolarHBondContact O-N 3.32Å; I620-T624 PolarHBondContact O-OG1 3.05Å; M621-T624 WeakPolarHBondContact CA-OG1 3.31Å; M621-T624 PolarHBondContact O-OG1 3.5Å; K622-T624 PolarHBondContact O-N 3.38Å
625R71.8Confident66Low188 Ų188139.2 Ų139.271%0.70966%0.66SS**Hα-helixtrans-100.8-17.7173.1-75.3-178.6162.6-176.3-5.8114.8M621 K622 S627M621-R625 WeakPolarHBondContact O-CB 3.32Å; M621-R625 WeakPolarHBondContact O-CG 3.25Å; M621-R625 PolarHBondContact O-N 2.8Å; K622-R625 PolarHBondContact O-N 3.33Å; R625-S627 PolarHBondContact O-N 3.21Å
626R58.9Low63.2Low223 Ų223138 Ų13884%0.84267%0.666SS**THydrogen-bonded Turntrans-79.26.1178.6-79.8-77.6176.1157.5-3.7114.4K622K622-R626 VanDerWaalsContact O-CB 3.24Å; K622-R626 WeakPolarHBondContact O-CB 3.12Å; K622-R626 VanDerWaalsContact O-CG 3.3Å; K622-R626 WeakPolarHBondContact O-CG 3.25Å; K622-R626 PolarHBondContact O-N 3.31Å
627S53.6Low60.5Low92 Ų92133.3 Ų133.364%0.64367%0.669SS**THydrogen-bonded Turntrans-79-19.5178.8-550000114.2R625R625-S627 PolarHBondContact O-N 3.21Å
628D54.1Low58.1Low139 Ų139135.6 Ų135.674%0.74368%0.682SS**SBendtrans-137.1112.6178.2-90.4-59.4000111.6
629T49.3Very low55.7Low144 Ų144136.8 Ų136.888%0.88370%0.7SS**  170.8113.7125.2440000108.1
630S40.3Very low53.2Low114 Ų114135.4 Ų135.480%0.79771%0.71SS**  trans-96-179169.851.60000111.5
631D42.6Very low50.9Low144 Ų144139.2 Ų139.277%0.7774%0.736SS**  trans-53.1138.1-177-56.7-103.6000115.2
632K43.2Very low48.9Very low193 Ų193140.3 Ų140.384%0.83975%0.752SS**  -178.3113.8122.1-92.7142.7-159.2163.30114.7
633K37Very low47.3Very low188 Ų188140.7 Ų140.782%0.81777%0.766SS**  38.3129.4110.2-171.8168.8178.8175.80119.9
634V36.3Very low45Very low116 Ų116136 Ų13670%0.70377%0.772SS**  trans107120.5142.31380000121.6
635R39.7Very low43.3Very low215 Ų215137.2 Ų137.281%0.81179%0.785SS**  trans60.8115.4148.2-63.4-68.6176.5119.4-3.1123.3
636T34Very low42.3Very low125 Ų125134.1 Ų134.177%0.76779%0.789SS**  47.1122.6109.2-45.60000120.2
637G35.3Very low41Very low69 Ų69128.2 Ų128.271%0.71179%0.788SS**  trans170.872.1163.900000117.4
638D38.3Very low40.4Very low151 Ų151128.1 Ų128.181%0.80779%0.793SS**  trans40.8158.2145.1-57-19.3000125.9
639S36.6Very low40.3Very low114 Ų114127.2 Ų127.280%0.79780%0.795SS**  trans87.686.2148.9-62.10000122.7
640A37.3Very low39.6Very low96 Ų96124.7 Ų124.779%0.79379%0.788SS**  77.4174.5111.800000122.5
641V36.9Very low39.3Very low140 Ų140123.6 Ų123.685%0.84879%0.786SS**  trans82.393.9173.3-167.80000117.8
642S39.7Very low39Very low108 Ų108122.4 Ų122.476%0.75578%0.784SS**  trans-83.7168.3141.3-127.60000108.8
643P52.4Low39.1Very low127 Ų127118.3 Ų118.383%0.82578%0.775SS**  cis-140.1-168.425.342.9-23.8000115.2
644G31.6Very low39.8Very low76 Ų76115 Ų11578%0.78477%0.773SS**  trans155.286.9155.600000118.1
645S39.8Very low39.9Very low120 Ų120117 Ų11784%0.83978%0.775SS**  trans-97.5153.3148-64.20000108.5
646P50.7Low39.7Very low122 Ų122112.1 Ų112.179%0.79277%0.769SS**  -149.6157.6109.937.9-22.4000117.1
647A32.5Very low39.7Very low99 Ų99113.1 Ų113.182%0.81877%0.77SS**  trans62.4121.8142.300000122.2
648A40.8Very low39.7Very low90 Ų90114.9 Ų114.974%0.74477%0.771SS**  trans-84.1-176.7144.600000110.1
649P52.4Low39.6Very low121 Ų121114.8 Ų114.879%0.78677%0.77SS**  -155.3176.490.941.2-23.3000117.1
650A33.9Very low39.6Very low90 Ų90113.4 Ų113.474%0.74476%0.761SS**  trans68.8126.9153.200000117.8
651A34.9Very low39.7Very low91 Ų91116.3 Ų116.375%0.75276%0.757SS**  cis66.8136.123.400000113.8
652T35.9Very low39.9Very low120 Ų120117.4 Ų117.474%0.73675%0.753SS**  174.4125.871.3-75.70000105.4
653V46.2Very low41.1Very low107 Ų107117.1 Ų117.165%0.64875%0.749SS**  60.6130.291.2170.20000112.6Q655V653-Q655 HydrophobicContact CG1-CB 3.97Å
654P50.7Low40.1Very low119 Ų119117.8 Ų117.877%0.77375%0.745SS**  -139.9167.166.937.9-18.7000116.1
655Q37.9Very low40.4Very low157 Ų157120.8 Ų120.873%0.73474%0.743SS**  cis94.1151.911.7-151-165.968.800117V653V653-Q655 HydrophobicContact CG1-CB 3.97Å
656T36.1Very low40.5Very low112 Ų112119.9 Ų119.969%0.68774%0.737SS**  trans83.8145.1170.4820000116.3
657N35Very low40.7Very low147 Ų147119.6 Ų119.679%0.78674%0.735SS**  cis-160.2179.4-8.6-135.3-20.3000115.9
658S33.3Very low41.1Very low105 Ų105123.3 Ų123.373%0.73474%0.735SS**  trans73.6130.3163.561.20000118.8
659N36.3Very low41.9Very low150 Ų150124.2 Ų124.280%0.80273%0.733SS**  cis91.3130.431.5-169.352000112.4
660S38.3Very low40.9Very low85 Ų85123.5 Ų123.559%0.59473%0.731SS**  cis-153-161.725.362.20000111.7
661H38Very low40.7Very low156 Ų156125.7 Ų125.772%0.72274%0.735SS**  cis-167.6150.91.6-123.7-11000112.9
662Q41.5Very low40.6Very low163 Ų163127.7 Ų127.776%0.76274%0.738SS**  trans69.3157.1140.6-68.1-71.1-85.500124.3
663P64.4Low41.4Very low102 Ų102127.2 Ų127.266%0.66274%0.737SS**  trans-146.4-169.8-143.239.7-15000119.5
664D31.7Very low40.6Very low141 Ų141129.7 Ų129.775%0.75475%0.746SS**  trans107.8151.2133.8-139.65.8000123.9
665L39.2Very low39.7Very low139 Ų139128.9 Ų128.973%0.72874%0.743SS**  trans64.2112.6163.4-56.5-175.5000124.7
666S40Very low39.5Very low102 Ų102129.9 Ų129.971%0.71375%0.748SS**  25173.3124.978.30000123.9
667P55.5Low40.3Very low115 Ų115130.3 Ų130.375%0.74775%0.752SS**  cis-140.3-1766.643-22.6000119.2
668H42.1Very low40.2Very low178 Ų178130.2 Ų130.282%0.82475%0.752SS**  trans-43.9176.1172.5-69.6-54.9000120.2
669P57.4Low40.2Very low109 Ų109132.8 Ų132.871%0.70875%0.752SS**  cis-156.3169.435.544.7-22.2000124.3
670S31.4Very low40.2Very low105 Ų105136.5 Ų136.573%0.73476%0.755SS**  trans64.2149.9147.7580000120.8
671T28Very low40.1Very low137 Ų137140.1 Ų140.184%0.8476%0.762SS**  cis-153.6164.210.8-19.30000113.2
672T34.5Very low40Very low132 Ų132139.3 Ų139.381%0.8176%0.763SS**  trans-99.5-171.7173.121.10000112.8
673P51.3Low39.6Very low111 Ų111134.9 Ų134.972%0.72176%0.762SS**  cis-121.9-168.4-0.532.2-8.3000113.4
674L30.6Very low38.6Very low159 Ų159134.7 Ų134.783%0.83277%0.769SS**  166151.864.8-171.974.8000108.1
675S30.5Very low38.7Very low102 Ų102137.3 Ų137.371%0.71377%0.774SS**  cis-159.7-173.3-24.764.40000110.8
676H34.8Very low38.8Very low178 Ų178138.7 Ų138.782%0.82478%0.776SS**  trans-102.5-178.6167.2-99.5-60.1000110.1
677P51.6Low39.2Very low121 Ų121142.5 Ų142.579%0.78678%0.783SS**  cis-147.6-162.928.447-25.1000118.9
678D33.5Very low38.3Very low144 Ų144142.5 Ų142.577%0.7778%0.78SS**  trans-40.7173.6179.7-108.6-52000125.4
679Q34.1Very low38.1Very low159 Ų159141 Ų14174%0.74378%0.777SS**  trans88.9110.7146-85.8172.5104.300124.2
680R36.3Very low36.9Very low228 Ų228141.2 Ų141.286%0.8678%0.781SS**  46.2155.1118.1-70.9-170.5176.6-128.20.4124
681E36.5Very low37.4Very low162 Ų162143.9 Ų143.976%0.75779%0.786SS**  trans93.7135.6156.6-62.4-143.9102.600120
682N35.8Very low38.2Very low138 Ų138143.5 Ų143.574%0.73879%0.786SS**  trans19.5137.4140.1-33.9-32000118.5
683G33.1Very low38.2Very low71 Ų71141.2 Ų141.273%0.73278%0.776SS**  cis141.5132.52.900000111.5
684A41.9Very low37.4Very low98 Ų98144.4 Ų144.481%0.8178%0.781SS**  trans55.5123.6173.200000118.9
685F34.1Very low37.3Very low196 Ų196141.1 Ų141.186%0.8677%0.771SS**  trans-151.7173131.1-120.8-82.6000109.8
686E42.6Very low37.7Very low167 Ų167146.6 Ų146.678%0.7878%0.776SS**  trans-66161.6-171.2-62.4160.3122.300112.3
687E47.5Very low37.7Very low183 Ų183145 Ų14586%0.85577%0.773SS**  -162.3139.770-171.6166.6-151.100115.9
688V37.7Very low36.8Very low114 Ų114144 Ų14469%0.69177%0.768SS**  trans6.8111.1156-173.20000121
689I37.8Very low38Very low147 Ų147142.3 Ų142.375%0.75477%0.766SS**  31.7117.9124.8-49.1163.1000118.8
690S31.5Very low38.8Very low114 Ų114139.5 Ų139.580%0.79776%0.761SS**  -174.9132.1119-82.80000114.3
691L41.9Very low38.6Very low160 Ų160137.8 Ų137.884%0.83876%0.763SS**  trans-91.3139.7162.4-74.9169.1000110.1S693L691-S693 PolarHBondContact O-N 2.94Å
692P44.1Very low38.5Very low130 Ų130133.4 Ų133.484%0.84476%0.761SS**  trans-68.5107.1157.5-17.332.1000110.6
693S35.5Very low38.4Very low84 Ų84135.5 Ų135.559%0.58777%0.766SS**  trans-78.9172.8150.6-66.10000108.2L691L691-S693 PolarHBondContact O-N 2.94Å
694H33.1Very low38.6Very low178 Ų178141 Ų14182%0.82477%0.773SS**  cis-161.5171.439.4-54.1-93.7000107.3
695S29.7Very low38.1Very low90 Ų90143.3 Ų143.363%0.62977%0.767SS**  cis-162.2140.50.3-118.20000107.5
696R37.7Very low38Very low217 Ų217141.2 Ų141.282%0.81976%0.76SS**  60.2132.692.1-70.2-178.6174.4-120.6-1.1114.8
697L35.3Very low37.4Very low144 Ų144140.6 Ų140.675%0.75476%0.757SS**  cis-155.8-176.36.7-90.6148.4000107.8
698S33.3Very low36.7Very low99 Ų99138.9 Ų138.969%0.69275%0.749SS**  cis-163164.75.8-131.50000111.7
699P58.3Low36.4Very low110 Ų110138 Ų13871%0.71474%0.744SS**  trans-89-170.5162.140.8-37.2000111.6
700P51Low36.1Very low100 Ų100138.2 Ų138.265%0.64974%0.742SS**  cis-144.1-164.41747-26.6000116.9
701E33Very low36.3Very low192 Ų192140.4 Ų140.490%0.89774%0.74SS**  trans58145.5164.8-65.4162174.200115.8
702G32.6Very low35.9Very low70 Ų70141 Ų14172%0.72274%0.738SS**  cis166.8-176.68.300000106.5
703E34.4Very low35.4Very low181 Ų181142.9 Ų142.985%0.84674%0.736SS**  cis-156.2147.4-11.1-57-169.495.600107.3
704E37.8Very low35.2Very low188 Ų188144.2 Ų144.288%0.87975%0.745SS**  trans61.1161168.8-62175.5178.800117.5
705E32.1Very low35.2Very low146 Ų146146 Ų14668%0.68275%0.75SS**  cis-153.8170.9-5-142.3-166.2174.900110
706Q31.6Very low35.5Very low152 Ų152147.9 Ų147.971%0.7176%0.758SS**  trans63.4146.7158.9-64.2168.944.200120.1
707Q30.3Very low35.3Very low153 Ų153142.6 Ų142.672%0.71575%0.754SS**  cis-157.5172.8-29.2-164.6143.86.200110.5
708E32.8Very low35.2Very low147 Ų147142 Ų14269%0.68776%0.756SS**  trans-43.3167164.5-62.7152.5126.500115
709T29.6Very low35.4Very low95 Ų95143.7 Ų143.758%0.58376%0.762SS**  cis-162.2172.35.72.40000110
710E33.2Very low34.4Very low153 Ų153142.5 Ų142.572%0.71576%0.762SS**  trans58.1167.5146.7-68.7141.1-166.200117.8
711E35Very low33.6Very low160 Ų160146.3 Ų146.375%0.74877%0.768SS**  cis-136135.9-36.3-108.2164.9-175.500104.2
712E33.3Very low33.9Very low171 Ų171146.1 Ų146.180%0.79977%0.77SS**  62.515291.8-125.9176.9-149.600116.9
713E34.7Very low34.4Very low170 Ų170149.5 Ų149.579%0.79477%0.766SS**  trans36.5104.7167.7-52.3-150.7133.700121.6
714S31.3Very low34.8Very low113 Ų113147.3 Ų147.379%0.7976%0.761SS**  177.781.5125.442.10000114.3
715K33Very low35.4Very low215 Ų215142.7 Ų142.794%0.93576%0.764SS**  trans-123.667.6160.7-80.4-175.91781700111.6
716V34.4Very low35.9Very low129 Ų129142.5 Ų142.578%0.78277%0.766SS**  trans-61.1133.7167177.80000109.5V718V716-V718 PolarHBondContact O-N 2.87Å; V716-V718 VanDerWaalsContact O-N 3.13Å
717S33.9Very low36.2Very low106 Ų106143.7 Ų143.774%0.74178%0.777SS**  trans-74.896.9-177.640.60000112.3V719S717-V719 PolarHBondContact O-N 3.11Å; S717-V719 VanDerWaalsContact O-N 3.16Å
718V34.4Very low36.6Very low131 Ų131144.5 Ų144.579%0.79478%0.778SS**  trans-74.8102.6168.41800000109.5V716 A720V716-V718 PolarHBondContact O-N 2.87Å; V716-V718 VanDerWaalsContact O-N 3.13Å; V718-A720 PolarHBondContact O-N 3.18Å
719V37.3Very low36.7Very low136 Ų136143.6 Ų143.682%0.82479%0.785SS**  trans-71.7104.3170.7177.50000109.1S717S717-V719 PolarHBondContact O-N 3.11Å; S717-V719 VanDerWaalsContact O-N 3.16Å
720A36.5Very low37Very low85 Ų85147.1 Ų147.170%0.70280%0.799SS**  trans-101.8113.7174.300000110.5V718V718-A720 PolarHBondContact O-N 3.18Å
721F34.2Very low37.2Very low180 Ų180145.4 Ų145.479%0.78980%0.804SS**  trans-76.4131.7177.7-171.4-96.7000110.7E723F721-E723 HydrophobicContact CD1-CB 4.29Å; F721-E723 HydrophobicContact CE1-CB 4.34Å; F721-E723 PolarHBondContact O-N 3.42Å
722M40.5Very low37.2Very low188 Ų188141.8 Ų141.893%0.92680%0.802SS**  trans-82.998.2179.8-71.1-179.766.400111.4
723E41.7Very low37.5Very low140 Ų140140.3 Ų140.365%0.65480%0.804SS**  trans-130.7128.2162.2-146.2-163.6125.600110.7F721F721-E723 HydrophobicContact CD1-CB 4.29Å; F721-E723 HydrophobicContact CE1-CB 4.34Å; F721-E723 PolarHBondContact O-N 3.42Å
724N42.4Very low37.9Very low136 Ų136141.7 Ų141.773%0.72781%0.81SS**SBendtrans54.684.8170.9-50.6-47.1000116L726N724-L726 PolarHBondContact O-N 3.3Å
725G51.4Low38.1Very low91 Ų91143 Ų14394%0.93881%0.808SS**  trans-62.2107.5179.900000114.5
726L42.3Very low38.3Very low141 Ų141140 Ų14074%0.73880%0.802SS**  trans-147.6104.2164.2-171.969.7000110.6N724 K728N724-L726 PolarHBondContact O-N 3.3Å; L726-K728 PolarHBondContact O-N 2.95Å
727L38.8Very low38.4Very low177 Ų177139.4 Ų139.493%0.92780%0.803SS**  trans-69.8126.8176.3-76.7166.1000111.4
728K37.2Very low38.7Very low170 Ų170139.2 Ų139.274%0.73981%0.808SS**  trans-140.6119.9160-73-173.9177.4179.90109.1L726L726-K728 PolarHBondContact O-N 2.95Å
729P36.1Very low38.8Very low128 Ų128140.7 Ų140.783%0.83181%0.807SS**  trans-72.7139167.631.1-32.5000109.6
730L35.9Very low38.8Very low170 Ų170142.2 Ų142.289%0.8981%0.805SS**  trans-121.9115.8165-74.7175.7000108.5
731S37.4Very low38.8Very low116 Ų116141.4 Ų141.481%0.81180%0.804SS**  trans-94.2166.4165.648.50000110
732A34.3Very low39.9Very low85 Ų85138.7 Ų138.770%0.70281%0.805SS**  trans66.7119.1-160.100000111.6
733V39.2Very low39.9Very low140 Ų140136.9 Ų136.985%0.84880%0.799SS**  cis58.682.719.6-163.20000112.8
734E43.3Very low39.9Very low198 Ų198136.1 Ų136.193%0.92580%0.804SS**  trans-147.7149.6139.7-124.6165.3-153.300109.3
735D36.1Very low39.9Very low140 Ų140138 Ų13875%0.74984%0.838SS**  trans-107.3171.6-145.4-144.9-24000113.7
736L37.6Very low39.3Very low154 Ų154140.4 Ų140.481%0.80683%0.833SS**  trans53113.9158-58.8172000119.5
737S35.9Very low39.1Very low115 Ų115140.3 Ų140.380%0.80484%0.838SS**  -174.6141.497.7-172.30000111.6
738A39.3Very low39.1Very low102 Ų102138.3 Ų138.384%0.84383%0.833SS**  trans-113118.4175.600000110.4
739Q36.9Very low39.3Very low163 Ų163136.4 Ų136.476%0.76284%0.838SS**  trans-145.2121.9165.7-162151.318.500113.7
740Q36.9Very low39.5Very low168 Ų168136.9 Ų136.979%0.78584%0.839SS**  trans10.9128146.7-64.4163.9-40.200118.9
741G37.3Very low39.7Very low67 Ų67134.7 Ų134.769%0.69184%0.835SS**  trans-72.2178.9143.800000111.4
742P57Low39.9Very low124 Ų124136.1 Ų136.181%0.80584%0.837SS**  cis-148.2-177.841.243.1-24000117.2
743D41.2Very low40.3Very low150 Ų150140 Ų14080%0.80285%0.848SS**  trans78.8157.3142.1-134.1-7.5000122.3
744V41.8Very low40.4Very low124 Ų124140 Ų14075%0.75285%0.847SS**  trans38.9106.8166.9-166.10000120.4
745A41.3Very low40.1Very low175 Ų175134.7 Ų134.7100%1.44684%0.84SS**  -161.60126.600000111.6

Retrieved 745 of 745 residues in 133.7 ms (Link to these results)