A0A096NAN7_PAPAN Loading...

Nuclear factor, erythroid 2

AlphaFold DB , UniProt , Accession A0A096NAN7, Species PAPAN (Papio anubis, Olive baboon), Gene NFE2, Length 373 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.9Very low43.4Very low236 Ų236155.6 Ų155.6100%1.16386%0.855SS**  0129.20-82.3-177.614800108.4
2S44.4Very low42.7Very low117 Ų117160.4 Ų160.482%0.81885%0.851SS**  trans56.5159.6153.1-50.90000120
3P50.8Low42.6Very low117 Ų117158.2 Ų158.276%0.7685%0.847SS**  cis-122.2165.8-1.940.2-27000115.2
4C43.4Very low42.5Very low128 Ų128157.1 Ų157.187%0.86584%0.839SS**  trans-94.8149158.2-58.90000110
5P47.9Very low42.7Very low115 Ų115158.9 Ų158.975%0.74784%0.84SS**  -150.6-178.4125.939.7-24.6000113.1
6P45.8Very low42.6Very low113 Ų113157.1 Ų157.173%0.73483%0.83SS**  cis-123.4171.2-47.737.2-24.6000111.4
7Q44.9Very low42.9Very low194 Ų194151.5 Ų151.591%0.90781%0.807SS**  trans-78.4150.6167.1-76.2-164.5-11.900112.3
8Q38Very low43.2Very low189 Ų189150.3 Ų150.388%0.88381%0.806SS**  trans-132139.2157.4-75.1-168.9-12.600109.9
9S46Very low43.6Very low116 Ų116146.6 Ų146.681%0.81179%0.793SS**  trans-77.2149.4-177.550.10000112.4
10R36.1Very low44.1Very low221 Ų221144.1 Ų144.183%0.83478%0.776SS**  trans-135.989.2167.6-85.3-172.6164.9168.8-2.6111.3R12R10-R12 PolarHBondContact O-N 2.84Å
11N44.8Very low44.6Very low166 Ų166143.3 Ų143.389%0.88877%0.771SS**  trans-56.8128.3145.3-83.3-46.1000107.6
12R35.8Very low45.9Very low213 Ų213133.8 Ų133.880%0.80473%0.733SS**  trans-128.189.4176.5-147.7179.7-160.9-151.92.1109.9R10 I14R10-R12 PolarHBondContact O-N 2.84Å; R12-I14 PolarHBondContact O-N 2.71Å
13V40.9Very low47Very low131 Ų131134.6 Ų134.679%0.79472%0.724SS**  trans-57.3127.6164176.50000107.6Q15V13-Q15 PolarHBondContact O-N 2.77Å
14I41.8Very low47.4Very low143 Ų143134.1 Ų134.173%0.73371%0.713SS**  trans-82.1105.1177.3-56.3176.9000107.7R12 L16R12-I14 PolarHBondContact O-N 2.71Å; I14-L16 HydrophobicContact CG2-CD1 4.04Å
15Q45Very low48.8Very low185 Ų185133.1 Ų133.186%0.86470%0.696SS**  trans-80.5113158.2-68-176.3-93.200107.5V13V13-Q15 PolarHBondContact O-N 2.77Å
16L40.4Very low49.8Very low130 Ų130133.1 Ų133.168%0.68169%0.689SS**  trans-66.4155163.5-8485.1000109.8I14I14-L16 HydrophobicContact CG2-CD1 4.04Å
17S48Very low51.1Low61 Ų61131 Ų13143%0.42767%0.674SS.*  trans-83.7145.8-179.972.70000111S19 E20S17-S19 PolarHBondContact O-N 3.33Å; S17-S19 VanDerWaalsContact O-N 3.16Å; S17-E20 WeakPolarHBondContact CB-OE2 3.4Å; S17-E20 PolarHBondContact N-OE2 2.83Å; S17-E20 PolarHBondContact O-N 2.82Å; S17-E20 PolarHBondContact OG-OE2 3.34Å
18T48.7Very low52.3Low130 Ų130129 Ų12980%0.79866%0.658SS**Hα-helixtrans-67.8-13-177.141.10000114.1
19S51.1Low53.8Low81 Ų81125.3 Ų125.357%0.56664%0.641SS**Hα-helixtrans-69.2-44.9173.6-65.40000112.5S17 L21 G22 E23S17-S19 PolarHBondContact O-N 3.33Å; S17-S19 VanDerWaalsContact O-N 3.16Å; S19-L21 PolarHBondContact O-N 3.5Å; S19-G22 PolarHBondContact O-N 2.97Å; S19-E23 PolarHBondContact O-N 2.97Å; S19-E23 VanDerWaalsContact O-N 3.15Å
20E52.8Low55Low96 Ų96126 Ų12645%0.44963%0.631SS.*Hα-helixtrans-62-31.8-176.3-65.5163.211100112S17 M24S17-E20 WeakPolarHBondContact CB-OE2 3.4Å; S17-E20 PolarHBondContact N-OE2 2.83Å; S17-E20 PolarHBondContact O-N 2.82Å; S17-E20 PolarHBondContact OG-OE2 3.34Å; E20-M24 WeakPolarHBondContact O-CB 3.3Å; E20-M24 PolarHBondContact O-N 2.9Å
21L55.4Low56.6Low127 Ų127119.7 Ų119.767%0.66561%0.613SS**Hα-helixtrans-69.2-37.8174.9-164.675.7000112.4S19 M24 E25S19-L21 PolarHBondContact O-N 3.5Å; L21-M24 PolarHBondContact O-N 3.44Å; L21-E25 PolarHBondContact O-N 3.07Å; L21-E25 VanDerWaalsContact O-N 3.09Å
22G62.6Low57.3Low36 Ų36118 Ų11837%0.37160%0.602SS.*Hα-helixtrans-72-38-179.200000113.1S19 M24 L26S19-G22 PolarHBondContact O-N 2.97Å; G22-M24 VanDerWaalsContact C-N 3.35Å; G22-L26 WeakPolarHBondContact O-CG 3.21Å; G22-L26 PolarHBondContact O-N 2.97Å; G22-L26 VanDerWaalsContact O-N 3.12Å
23E65.8Low58.2Low135 Ų135111 Ų11163%0.63159%0.585SS**Hα-helixtrans-65.6-39.4173.1-68.2178.2-167.900111.2S19 L26 T27S19-E23 PolarHBondContact O-N 2.97Å; S19-E23 VanDerWaalsContact O-N 3.15Å; E23-L26 PolarHBondContact O-N 3.44Å; E23-T27 WeakPolarHBondContact O-CG2 3.38Å; E23-T27 PolarHBondContact O-N 2.85Å; E23-T27 VanDerWaalsContact O-N 3.07Å
24M60.9Low58.8Low107 Ų107110.2 Ų110.253%0.52758%0.576SS.*Hα-helixtrans-63.2-46.6176.5-159.9177.7-55.200112.2E20 L21 G22 L26 T27 W28E20-M24 WeakPolarHBondContact O-CB 3.3Å; E20-M24 PolarHBondContact O-N 2.9Å; L21-M24 PolarHBondContact O-N 3.44Å; G22-M24 VanDerWaalsContact C-N 3.35Å; M24-L26 VanDerWaalsContact C-N 3.34Å; M24-L26 PolarHBondContact O-N 3.38Å; M24-T27 PolarHBondContact O-N 3.44Å; M24-T27 PolarHBondContact O-OG1 3.25Å; M24-W28 VanDerWaalsContact O-CD1 3.25Å; M24-W28 PolarHBondContact O-N 3.13Å; M24-W28 VanDerWaalsContact O-N 3.09Å
25E71.7Confident59.4Low107 Ų107108.3 Ų108.350%0.557%0.571SS.*Hα-helixtrans-58.8-42.6175.7-177.762.9-152.500112L21 T27 W28 Q29L21-E25 PolarHBondContact O-N 3.07Å; L21-E25 VanDerWaalsContact O-N 3.09Å; E25-T27 PolarHBondContact O-N 3.2Å; E25-W28 PolarHBondContact O-N 3.28Å; E25-Q29 WeakPolarHBondContact O-CG 3.46Å; E25-Q29 PolarHBondContact O-N 2.91Å; E25-Q29 PolarHBondContact OE1-NE2 3.47Å
26L69.1Low59.6Low115 Ų115107.7 Ų107.760%0.60257%0.568SS**Hα-helixtrans-60.6-44.4175.9-77.9165.1000112.2G22 E23 M24 W28 Q29 E30G22-L26 WeakPolarHBondContact O-CG 3.21Å; G22-L26 PolarHBondContact O-N 2.97Å; G22-L26 VanDerWaalsContact O-N 3.12Å; E23-L26 PolarHBondContact O-N 3.44Å; M24-L26 VanDerWaalsContact C-N 3.34Å; M24-L26 PolarHBondContact O-N 3.38Å; L26-W28 VanDerWaalsContact C-N 3.33Å; L26-W28 PolarHBondContact O-N 2.81Å; L26-Q29 PolarHBondContact O-N 3.38Å; L26-E30 PolarHBondContact O-N 3.26Å
27T73.6Confident60.1Low69 Ų69108.8 Ų108.842%0.42357%0.573SS.*Hα-helixtrans-65.6-34.3177.459.60000113E23 M24 E25 E30 I31E23-T27 WeakPolarHBondContact O-CG2 3.38Å; E23-T27 PolarHBondContact O-N 2.85Å; E23-T27 VanDerWaalsContact O-N 3.07Å; M24-T27 PolarHBondContact O-N 3.44Å; M24-T27 PolarHBondContact O-OG1 3.25Å; E25-T27 PolarHBondContact O-N 3.2Å; T27-E30 PolarHBondContact O-N 2.97Å; T27-I31 WeakPolarHBondContact O-CD1 3.48Å; T27-I31 VanDerWaalsContact O-CG1 3.26Å; T27-I31 WeakPolarHBondContact O-CG1 3.5Å; T27-I31 PolarHBondContact O-N 3.13Å
28W69.1Low60.1Low151 Ų151114 Ų11457%0.57259%0.591SS**Hα-helixtrans-68.7-38.8174.2-80.1114.5000112.6M24 E25 L26 I31 M32M24-W28 VanDerWaalsContact O-CD1 3.25Å; M24-W28 PolarHBondContact O-N 3.13Å; M24-W28 VanDerWaalsContact O-N 3.09Å; E25-W28 PolarHBondContact O-N 3.28Å; L26-W28 VanDerWaalsContact C-N 3.33Å; L26-W28 PolarHBondContact O-N 2.81Å; W28-I31 HydrophobicContact CE3-CD1 4.23Å; W28-I31 HydrophobicContact CZ3-CD1 4.43Å; W28-I31 PolarHBondContact O-N 2.95Å; W28-M32 WeakPolarHBondContact O-CG 3.4Å; W28-M32 PolarHBondContact O-N 2.94Å
29Q70.1Confident60.1Low111 Ų111111.7 Ų111.752%0.51959%0.593SS.*Hα-helixtrans-66.5-38.2174.3-70.5-179.610.300112.1E25 L26 M32 S33E25-Q29 WeakPolarHBondContact O-CG 3.46Å; E25-Q29 PolarHBondContact O-N 2.91Å; E25-Q29 PolarHBondContact OE1-NE2 3.47Å; L26-Q29 PolarHBondContact O-N 3.38Å; Q29-M32 PolarHBondContact O-N 3.01Å; Q29-S33 PolarHBondContact O-N 2.89Å
30E71.4Confident59.5Low130 Ų130115.8 Ų115.861%0.60761%0.608SS**Hα-helixtrans-61.4-47.3172.8-172.3171.5-16000111.2L26 T27 M32 S33 I34L26-E30 PolarHBondContact O-N 3.26Å; T27-E30 PolarHBondContact O-N 2.97Å; E30-M32 PolarHBondContact O-N 2.84Å; E30-S33 PolarHBondContact O-N 2.86Å; E30-S33 PolarHBondContact O-OG 3.38Å; E30-I34 HydrophobicContact CG-CD1 4.4Å; E30-I34 WeakPolarHBondContact O-CG1 3.3Å; E30-I34 PolarHBondContact O-N 2.95Å
31I69.5Low58.9Low89 Ų89118.7 Ų118.746%0.45663%0.626SS.*Hα-helixtrans-58.2-45.7176.5-71.1164.5000111.8T27 W28 S33 I34T27-I31 WeakPolarHBondContact O-CD1 3.48Å; T27-I31 VanDerWaalsContact O-CG1 3.26Å; T27-I31 WeakPolarHBondContact O-CG1 3.5Å; T27-I31 PolarHBondContact O-N 3.13Å; W28-I31 HydrophobicContact CE3-CD1 4.23Å; W28-I31 HydrophobicContact CZ3-CD1 4.43Å; W28-I31 PolarHBondContact O-N 2.95Å; I31-S33 VanDerWaalsContact C-N 3.33Å; I31-S33 PolarHBondContact O-N 3.49Å; I31-I34 PolarHBondContact O-N 2.84Å
32M59.5Low57.9Low132 Ų132116.9 Ų116.965%0.6563%0.629SS**Hα-helixtrans-64.7-35.7178.7-70.6-129.967.100112.7W28 Q29 E30 I34 T35W28-M32 WeakPolarHBondContact O-CG 3.4Å; W28-M32 PolarHBondContact O-N 2.94Å; Q29-M32 PolarHBondContact O-N 3.01Å; E30-M32 PolarHBondContact O-N 2.84Å; M32-I34 VanDerWaalsContact C-N 3.27Å; M32-I34 PolarHBondContact O-N 2.74Å; M32-T35 PolarHBondContact O-N 2.97Å; M32-T35 PolarHBondContact O-OG1 3.14Å
33S54.6Low57Low65 Ų65121.1 Ų121.146%0.45565%0.651SS.*Hα-helixtrans-64.7-30177.479.70000113.4Q29 E30 I31 T35Q29-S33 PolarHBondContact O-N 2.89Å; E30-S33 PolarHBondContact O-N 2.86Å; E30-S33 PolarHBondContact O-OG 3.38Å; I31-S33 VanDerWaalsContact C-N 3.33Å; I31-S33 PolarHBondContact O-N 3.49Å; S33-T35 VanDerWaalsContact C-N 3.34Å
34I53.5Low55.5Low115 Ų115120.5 Ų120.559%0.5966%0.661SS**Hα-helixtrans-72-29.5-179.2-67163.6000111.4E30 I31 M32 E36E30-I34 HydrophobicContact CG-CD1 4.4Å; E30-I34 WeakPolarHBondContact O-CG1 3.3Å; E30-I34 PolarHBondContact O-N 2.95Å; I31-I34 PolarHBondContact O-N 2.84Å; M32-I34 VanDerWaalsContact C-N 3.27Å; M32-I34 PolarHBondContact O-N 2.74Å; I34-E36 PolarHBondContact O-N 2.79Å
35T54.1Low54.2Low103 Ų103124.2 Ų124.263%0.63268%0.677SS**Hα-helixtrans-72.5-17.5-179.527.80000115.5M32 S33 L37M32-T35 PolarHBondContact O-N 2.97Å; M32-T35 PolarHBondContact O-OG1 3.14Å; S33-T35 VanDerWaalsContact C-N 3.34Å; T35-L37 PolarHBondContact O-N 2.74Å
36E49.1Very low53Low171 Ų171124.1 Ų124.180%0.79969%0.686SS**THydrogen-bonded Turntrans-80.7-9.1-176.3-63.3-162.3130.700114.6I34I34-E36 PolarHBondContact O-N 2.79Å
37L51.7Low51Low153 Ų153124 Ų12480%0.80170%0.695SS**THydrogen-bonded Turntrans-101.422.8-168.2-71.2172.7000116.1T35T35-L37 PolarHBondContact O-N 2.74Å
38Q48.3Very low48.9Very low171 Ų171130.5 Ų130.580%0.79972%0.717SS**  trans-121.361.4173.5-64.8-162.919.500113.9L40Q38-L40 PolarHBondContact O-N 2.8Å
39G48.5Very low47.1Very low81 Ų81129.7 Ų129.784%0.83572%0.72SS**  trans-71.484.7170.100000113.4
40L38.2Very low45.7Very low167 Ų167130.5 Ų130.587%0.87474%0.735SS**  trans-94.597.8166.9-72.7178.6000110.6Q38Q38-L40 PolarHBondContact O-N 2.8Å
41N41Very low43.7Very low157 Ų157131.9 Ų131.984%0.8474%0.741SS**  trans-95.1125.5178.3-172.6-9.5000110.7
42A34.6Very low42.2Very low89 Ų89131.7 Ų131.774%0.73675%0.753SS**  trans-140132.417500000109.8
43P43.8Very low41.4Very low126 Ų126131.5 Ų131.582%0.81876%0.762SS**  trans-102.4139.7-160.236.9-35.3000116.1
44S33.8Very low40.4Very low121 Ų121132.5 Ų132.585%0.84677%0.774SS**  trans-160.4124.4151.9580000111.8
45E32.8Very low39.4Very low186 Ų186133 Ų13387%0.86979%0.788SS**  trans-86.1179.8177.8-84.7-161.915400113.2
46P47.2Very low38.5Very low104 Ų104138.1 Ų138.168%0.67580%0.797SS**  cis-138.8170.8-44.138.2-23.2000113.3
47S26.8Very low37.9Very low114 Ų114137.8 Ų137.880%0.79780%0.8SS**  trans-171.2136143.2-88.50000115.3
48F30Very low37Very low204 Ų204133.9 Ų133.990%0.89580%0.797SS**  trans65.698.3158.1-87-86.9000122.1
49E31.8Very low36.9Very low135 Ų135131.5 Ų131.563%0.63180%0.796SS**  trans-63.8147.8157.8158.7177.8-154.600112.8Q51E49-Q51 VanDerWaalsContact OE1-CG 3.29Å; E49-Q51 WeakPolarHBondContact OE1-CG 3.2Å; E49-Q51 PolarHBondContact OE1-NE2 3.11Å
50P39.3Very low36.9Very low127 Ų127133.6 Ų133.683%0.82580%0.795SS**  -127.8138.5106.11.620000116.5
51Q30.2Very low37.5Very low159 Ų159131 Ų13174%0.74379%0.788SS**  trans-43.8163.2156.9-90.416434.900115.3E49E49-Q51 VanDerWaalsContact OE1-CG 3.29Å; E49-Q51 WeakPolarHBondContact OE1-CG 3.2Å; E49-Q51 PolarHBondContact OE1-NE2 3.11Å
52A38.1Very low37Very low85 Ų85131.8 Ų131.870%0.70279%0.786SS**  cis-170.4-168.7600000107.9
53P42.6Very low37.2Very low128 Ų128133.5 Ų133.583%0.83179%0.788SS**  cis-124.2-178.6-7.540.2-23.6000114.5
54A33.2Very low36.5Very low86 Ų86133.4 Ų133.471%0.71179%0.785SS**  trans-97165.3-172.800000115.6
55S33.6Very low36.6Very low127 Ų127138.4 Ų138.489%0.88879%0.787SS**  trans-136.7152.6159.4-78.20000109.6
56Y34.5Very low36.7Very low210 Ų210134.7 Ų134.782%0.82478%0.78SS**  trans-116.8148.5-159.1-100.2-82.4000115.3
57L35.4Very low36.9Very low164 Ų164135.5 Ų135.586%0.85979%0.785SS**  trans63.4132.4147-81.9156000122.1
58G33.5Very low37.2Very low71 Ų71135.7 Ų135.773%0.73279%0.786SS**  trans170.3108.616000000114.5
59P46.4Very low37.5Very low121 Ų121130.5 Ų130.579%0.78678%0.775SS**  trans-95.6164.4-179.736.5-34.3000114.8
60P49.3Very low37.7Very low124 Ų124131.2 Ų131.281%0.80578%0.781SS**  trans-99.1165.5-169.938.7-37.2000115.6
61P50.8Low37.3Very low113 Ų113133.2 Ų133.273%0.73478%0.779SS**  trans-127.1124.6167.136.4-21.6000116.6
62H29.6Very low38.5Very low173 Ų173130.6 Ų130.680%0.80178%0.776SS**  trans51114.7136.6-61.2-71.9000124.5
63T38.2Very low38.2Very low126 Ų126133.5 Ų133.577%0.77378%0.78SS**  trans-11.7141136.2520000120.3
64T30.2Very low37.9Very low124 Ų124132 Ų13276%0.76178%0.778SS**  trans-154.5144.9149.31.90000116
65Y34.3Very low37.8Very low226 Ų226131.3 Ų131.389%0.88678%0.78SS**  trans72.7147156.5-82.6-72.2000124.1
66C36Very low38Very low108 Ų108134.7 Ų134.773%0.7378%0.779SS**  trans-152155.7179.3173.40000106.8
67P50.5Low38.6Very low120 Ų120130.8 Ų130.878%0.77978%0.779SS**  trans-137.2147.1157.834.1-17.5000117.8
68C33.4Very low38.7Very low119 Ų119130.8 Ų130.880%0.80478%0.779SS**  trans-52.8175.6161.9-61.30000115.9
69S37.5Very low40Very low95 Ų95132.4 Ų132.466%0.66478%0.777SS**  cis177.2157.6-19.9-87.80000113.2
70I35.7Very low40.2Very low149 Ų149132.2 Ų132.276%0.76478%0.775SS**  trans79117139.3-74.5163.2000123.2
71H30.9Very low40.5Very low169 Ų169132.1 Ų132.178%0.78278%0.775SS**  trans57.1167.4142.4-91.3-91.9000123.3
72P54.3Low40.5Very low104 Ų104131.8 Ų131.868%0.67577%0.773SS**  cis-129.9-153-10.644.6-26.6000112.3
73D33.2Very low40.8Very low146 Ų146133.8 Ų133.878%0.78178%0.775SS**  cis-160.2172.8-10.9-135.9-42.2000114
74A34.5Very low40.6Very low96 Ų96135.9 Ų135.979%0.79378%0.776SS**  trans43.6134.5146.100000126.1
75G31.3Very low40.9Very low73 Ų73137.3 Ų137.375%0.75378%0.778SS**  trans152.4117.5147.400000118.9
76F38.5Very low41.3Very low198 Ų198132.5 Ų132.587%0.86877%0.774SS**  trans-154.5146168.5-104.2-70.5000111.2
77P47.6Very low40.8Very low127 Ų127131.7 Ų131.783%0.82578%0.776SS**  -145.2-160.8117.535-15.7000115
78L36.6Very low40Very low164 Ų164130.7 Ų130.786%0.85977%0.771SS**  trans-124.1177.1-153.6-86.6170.8000115.6
79P61.5Low39.8Very low106 Ų106131 Ų13169%0.68877%0.77SS**  trans-100.5-173.7-157.142.5-39.7000115.7
80P51Low39.5Very low116 Ų116131.4 Ų131.475%0.75377%0.772SS**  -153.9-158.8104.739.3-16.7000114.5
81P55.4Low39.3Very low122 Ų122132.5 Ų132.579%0.79277%0.774SS**  -129.7-135.3-73.848-30000114.1
82P51.1Low39.5Very low107 Ų107130.3 Ų130.370%0.69577%0.772SS**  trans-125.6-174.1-141.440.5-17.5000117
83Y34.8Very low39Very low215 Ų215131 Ų13184%0.84378%0.776SS**  trans162.1157.4155.9-88.6-57000108.7
84E34Very low38.7Very low169 Ų169131.3 Ų131.379%0.7978%0.778SS**  cis-155.8174.4-24.9-156.8164.4-124.900109
85L36.7Very low38.7Very low155 Ų155131.2 Ų131.281%0.81278%0.778SS**  trans-100.2158.2173.4-87.3168.7000112.2
86P42.1Very low39.4Very low124 Ų124133.6 Ų133.681%0.80578%0.78SS**  -139.2161.4125.537.2-25.6000115.4
87A27Very low39Very low92 Ų92134.9 Ų134.976%0.7678%0.78SS**  trans-103.5179.9167.500000109.4
88S33Very low38.3Very low99 Ų99134.5 Ų134.569%0.69278%0.78SS**  cis-153.51777-82.80000107.6
89T29.9Very low38Very low126 Ų126137.4 Ų137.477%0.77378%0.782SS**  167154.681.740.10000112.6
90S31.1Very low36.5Very low102 Ų102135.2 Ų135.271%0.71378%0.779SS**  trans50.2125.1157.849.50000121.7
91H31.3Very low35.6Very low173 Ų173137.3 Ų137.380%0.80178%0.784SS**  69.5107.662.2-85.2-92.9000115.5
92V33.8Very low34.6Very low122 Ų122140.6 Ų140.674%0.73979%0.79SS**  86.7144.880.3158.50000112.5
93P44.8Very low33.7Very low118 Ų118141.5 Ų141.577%0.76679%0.794SS**  cis-133.6-163.71838.9-16.8000117.4
94D27.5Very low34Very low154 Ų154138.8 Ų138.882%0.82479%0.793SS**  trans-107.4172.3-169.4-48.9-91.1000118.6
95A33Very low34Very low94 Ų94136.4 Ų136.478%0.77779%0.792SS**  trans74168.6145.800000119.2
96P46.7Very low33.7Very low123 Ų123135.4 Ų135.480%0.79979%0.792SS**  cis-137.7-167.6945.1-26000117.8
97Y30.2Very low33.5Very low225 Ų225135 Ų13588%0.88279%0.792SS**  trans-65.7167.2-176.7-73-101.1000117.5
98S31.8Very low34Very low118 Ų118139.5 Ų139.583%0.82580%0.795SS**  trans-136.4163.7158-169.40000111.5
99Y31Very low34.3Very low225 Ų225141 Ų14188%0.88280%0.802SS**  trans-147.9150.7-169.7-131-87.8000112
100G30.4Very low34.8Very low61 Ų61142.6 Ų142.663%0.62981%0.805SS**  trans101.6152.6175.700000114.2
101N31.5Very low35.4Very low160 Ų160142 Ų14286%0.85680%0.8SS**  cis-141.51582.6-79.2-33.8000110.8
102M35.7Very low35.9Very low190 Ų190140.6 Ų140.694%0.93680%0.798SS**  trans-79.6138.9163.3-95.4-167167.700111.3
103T32.1Very low36.3Very low127 Ų127139.3 Ų139.378%0.77980%0.795SS**  trans-130.9121.5167.749.50000109.8P105T103-P105 WeakPolarHBondContact O-CD 3.06Å
104I39.6Very low36Very low158 Ų158135.8 Ų135.881%0.8178%0.78SS**PPolyproline II helixtrans-92.1118.2178.6-58.8171.1000108.8
105P34.1Very low37Very low119 Ų119135 Ų13577%0.77378%0.775SS**PPolyproline II helixtrans-76.8130169.330.6-31.7000110.5T103T103-P105 WeakPolarHBondContact O-CD 3.06Å
106V32.2Very low37.6Very low133 Ų133137.6 Ų137.681%0.80678%0.775SS**PPolyproline II helixtrans-68.4131.7177.3170.20000110.7
107S37.6Very low37.4Very low117 Ų117136.8 Ų136.882%0.81877%0.772SS**PPolyproline II helixtrans-64.1130.6175.625.30000112.2
108K37.2Very low37.6Very low185 Ų185133.6 Ų133.680%0.80477%0.765SS**  trans-106.5148.8165.5-71.6178.3179.5174.30108.9L110K108-L110 PolarHBondContact O-N 2.96Å
109P39.4Very low37.8Very low130 Ų130133.2 Ų133.284%0.84476%0.76SS**PPolyproline II helixtrans-66.1129.1177.927.7-34000110.6
110L39.5Very low38.4Very low161 Ų161129.7 Ų129.784%0.84376%0.756SS**PPolyproline II helixtrans-75.2134175.2-73.4162.6000109.9K108K108-L110 PolarHBondContact O-N 2.96Å
111S44.1Very low39.1Very low88 Ų88134.8 Ų134.862%0.61576%0.763SS**PPolyproline II helixtrans-103150.7173.9-175.70000110.1S113 G114S111-S113 PolarHBondContact O-N 3Å; S111-G114 PolarHBondContact O-N 3.22Å
112L41.8Very low39.3Very low144 Ų144132 Ų13275%0.75475%0.748SS**G310 helixtrans-53-29.9-173.1-90161.9000114.6G114 L115L112-G114 PolarHBondContact O-N 3.46Å; L112-L115 PolarHBondContact O-N 3.27Å
113S42Very low39.5Very low95 Ų95128 Ų12866%0.66474%0.736SS**G310 helixtrans-65.9-17.4176.7-49.90000114.4S111S111-S113 PolarHBondContact O-N 3Å
114G39.1Very low39.9Very low44 Ų44128.7 Ų128.745%0.45474%0.735SS.*G310 helixtrans-74.3-28.3179.400000114.1S111 L112 L116S111-G114 PolarHBondContact O-N 3.22Å; L112-G114 PolarHBondContact O-N 3.46Å; G114-L116 VanDerWaalsContact C-N 3.33Å; G114-L116 PolarHBondContact O-N 3.08Å
115L47.5Very low39.9Very low137 Ų137124.8 Ų124.872%0.71773%0.726SS**G310 helixtrans-84.3-3.7-172.9-64.7173.7000114.3L112L112-L115 PolarHBondContact O-N 3.27Å
116L45.4Very low40.1Very low150 Ų150127 Ų12779%0.78573%0.731SS**G310 helixtrans-12815.2-170.9-65.9173.1000113.4G114G114-L116 VanDerWaalsContact C-N 3.33Å; G114-L116 PolarHBondContact O-N 3.08Å
117S43.1Very low40.6Very low106 Ų106128.8 Ų128.874%0.74174%0.735SS**SBendtrans-148.26.2-175.7-63.60000115.4
118E33.6Very low40.5Very low157 Ų157130 Ų13073%0.73473%0.732SS**SBendtrans-93.9127.5165.6-159.4163.6-155.500108.3L120E118-L120 PolarHBondContact O-N 2.95Å
119P37.8Very low40.7Very low110 Ų110129 Ų12971%0.71473%0.734SS**  trans-65.5125.7177.127.5-33.2000108.7Q121P119-Q121 PolarHBondContact O-N 3Å
120L42.4Very low40.4Very low151 Ų151125.7 Ų125.779%0.79172%0.723SS**  trans-59.5106.8-175.2-166.2145.4000109.6E118 D122 P123E118-L120 PolarHBondContact O-N 2.95Å; L120-D122 PolarHBondContact O-N 2.82Å; L120-P123 HydrophobicContact CD2-CG 4.06Å
121Q44.5Very low40.2Very low168 Ų168125.6 Ų125.679%0.78572%0.722SS**  trans-64.2133177.5-71.1-173.8-1.300109P119P119-Q121 PolarHBondContact O-N 3Å
122D36.7Very low39.9Very low101 Ų101127.5 Ų127.554%0.5473%0.733SS.*  trans-50.4121-169.7-172.7-18000111.7L120 L124 A125L120-D122 PolarHBondContact O-N 2.82Å; D122-L124 PolarHBondContact O-N 2.85Å; D122-L124 WeakPolarHBondContact OD1-CB 3.4Å; D122-L124 PolarHBondContact OD1-N 3.49Å; D122-A125 WeakPolarHBondContact O-CB 3.5Å; D122-A125 PolarHBondContact O-N 3.15Å
123P40.1Very low39.6Very low106 Ų106127.5 Ų127.569%0.68874%0.738SS**THydrogen-bonded Turntrans-57.5-14.7178.3-25.535.3000114.6L120L120-P123 HydrophobicContact CD2-CG 4.06Å
124L39.8Very low39.4Very low142 Ų142125.6 Ų125.674%0.74373%0.734SS**THydrogen-bonded Turntrans-89-4.4178.3-57179.8000113.9D122 L126D122-L124 PolarHBondContact O-N 2.85Å; D122-L124 WeakPolarHBondContact OD1-CB 3.4Å; D122-L124 PolarHBondContact OD1-N 3.49Å; L124-L126 PolarHBondContact O-N 3.39Å
125A40.3Very low39.6Very low76 Ų76129.5 Ų129.563%0.62875%0.751SS**  trans-75.22.9-175.800000115.6D122 L127D122-A125 WeakPolarHBondContact O-CB 3.5Å; D122-A125 PolarHBondContact O-N 3.15Å; A125-L127 PolarHBondContact O-N 3.02Å
126L37.6Very low39.1Very low167 Ų167129 Ų12987%0.87476%0.756SS**  trans-86.927.6-178-152.7109.6000114.2L124L124-L126 PolarHBondContact O-N 3.39Å
127L42.8Very low38.4Very low170 Ų170131.3 Ų131.389%0.8976%0.76SS**  trans-131.944.3-179.6-72.7177.9000113.1A125A125-L127 PolarHBondContact O-N 3.02Å
128D36.6Very low38.2Very low141 Ų141132.2 Ų132.275%0.75476%0.763SS**  trans-119.694.4163.3-169.811.4000111
129I40.7Very low38.1Very low165 Ų165132.4 Ų132.485%0.84676%0.764SS**  trans-106.696.3164.3-59.4-178.4000106.1L131I129-L131 PolarHBondContact O-N 3.38Å
130G32.3Very low37.9Very low60 Ų60135 Ų13562%0.61977%0.767SS**  trans-59.1130.7-165.200000115.2
131L36.2Very low37.9Very low159 Ų159135.2 Ų135.283%0.83277%0.769SS**  trans-97.8134.9159.7-72.3170.3000109.1I129 V133I129-L131 PolarHBondContact O-N 3.38Å; L131-V133 PolarHBondContact O-N 3.13Å; L131-V133 VanDerWaalsContact O-N 3.17Å
132P38.6Very low38.3Very low128 Ų128132.8 Ų132.883%0.83177%0.768SS**  trans-74.1108.6-177.628.9-33.8000111.7G134P132-G134 PolarHBondContact O-N 3.46Å
133V34.5Very low38.6Very low144 Ų144136.5 Ų136.587%0.87378%0.782SS**  trans-77.2113.7173.3175.10000110.5L131L131-V133 PolarHBondContact O-N 3.13Å; L131-V133 VanDerWaalsContact O-N 3.17Å
134G38.6Very low38.7Very low56 Ų56137.6 Ų137.658%0.57779%0.792SS**PPolyproline II helixtrans-90.4156.1165.200000112.2P132P132-G134 PolarHBondContact O-N 3.46Å
135P43Very low39Very low125 Ų125137.9 Ų137.981%0.81279%0.794SS**PPolyproline II helixtrans-75.7147.5-176.831.1-35.5000112.8
136P36.1Very low39.2Very low126 Ų126139.8 Ų139.882%0.81880%0.803SS**PPolyproline II helixtrans-78.9149.2-176.931.9-35.7000113.5
137K30.6Very low39.7Very low199 Ų199135.1 Ų135.187%0.86580%0.795SS**  trans-126.5141.4153.4-80.4-173.5174.9-178.40108.6
138P39.8Very low39.6Very low125 Ų125135 Ų13581%0.81280%0.795SS**  trans-89.9133-177.933.7-31.8000111.7
139Q31.3Very low39.9Very low161 Ų161133.4 Ų133.475%0.75280%0.795SS**  trans-159.6120.2151-156.9151.9-19.200113.7
140E32.6Very low39.9Very low164 Ų164132.9 Ų132.977%0.76679%0.793SS**  trans53.4121.5145.9-66.5158.4177.500122.2
141D42.4Very low40.2Very low156 Ų156136.2 Ų136.283%0.83480%0.796SS**  trans-61161.7155.4-62.5-76.9000111.8
142P52.9Low40.2Very low118 Ų118139 Ų13977%0.76680%0.798SS**  -138.9138.59835.9-23.7000115.7
143E44.8Very low40.7Very low178 Ų178138.3 Ų138.383%0.83280%0.796SS**  trans7.7124.4150.4-56.1176116.800119.1
144S41.9Very low40.8Very low130 Ų130138.9 Ų138.991%0.90979%0.793SS**  -165.7137.1126.2-81.90000114.1
145D44.4Very low40.9Very low147 Ų147140.7 Ų140.779%0.78680%0.803SS**  trans-59.1139.2177.2170.731.9000115.3G147D145-G147 PolarHBondContact OD1-N 3.23Å
146S45.3Very low40.7Very low117 Ų117143.7 Ų143.782%0.81881%0.806SS**  trans-169.679.8149.4-81.90000111.2L148S146-L148 PolarHBondContact O-N 2.82Å
147G49.3Very low40.7Very low69 Ų69143.2 Ų143.271%0.71181%0.806SS**  trans-77.5106.5178.200000114.8D145D145-G147 PolarHBondContact OD1-N 3.23Å
148L39.9Very low41.5Very low168 Ų168141.1 Ų141.188%0.8880%0.803SS**  trans-136.779.8166.8-74.3178.9000111.9S146 L150S146-L148 PolarHBondContact O-N 2.82Å; L148-L150 PolarHBondContact O-N 3.44Å
149S42.3Very low41.5Very low107 Ų107144 Ų14475%0.74881%0.806SS**  trans-80.192.9174.7-165.20000111.1N151S149-N151 PolarHBondContact O-N 3.49Å; S149-N151 VanDerWaalsContact O-N 3.1Å; S149-N151 PolarHBondContact OG-OD1 3.07Å
150L41.2Very low42.2Very low154 Ų154144 Ų14481%0.80681%0.811SS**  trans-78.886.4169.1-96.2168.6000110.2L148 Y152L148-L150 PolarHBondContact O-N 3.44Å; L150-Y152 PolarHBondContact O-N 2.89Å
151N38.3Very low42.8Very low130 Ų130145.8 Ų145.870%0.69582%0.819SS**  trans-67.2116.2170.8-64.77.3000109.3S149S149-N151 PolarHBondContact O-N 3.49Å; S149-N151 VanDerWaalsContact O-N 3.1Å; S149-N151 PolarHBondContact OG-OD1 3.07Å
152Y36.7Very low42.4Very low218 Ų218141.5 Ų141.586%0.85581%0.811SS**  trans-123.794.5162.8-106-88.3000108.7L150L150-Y152 PolarHBondContact O-N 2.89Å
153S48.4Very low41.6Very low113 Ų113141.8 Ų141.879%0.7981%0.811SS**  trans-103131.2162.2-67.20000108.8
154D37.3Very low41.4Very low155 Ų155141.9 Ų141.983%0.82981%0.811SS**  trans7.1138147.9-1472.1000119.4
155A40.6Very low41.4Very low94 Ų94141 Ų14178%0.77781%0.812SS**  trans-128.4118.7172.200000108.9
156E38Very low41.2Very low189 Ų189137.6 Ų137.688%0.88381%0.811SS**  trans-62.7148.7-162.2-64.2171.2115.100114.5L158E156-L158 PolarHBondContact O-N 3.09Å
157S36.7Very low41.4Very low116 Ų116144 Ų14481%0.81182%0.818SS**  trans-73119.3169.4-167.80000109.8E159S157-E159 PolarHBondContact O-N 2.92Å
158L47.3Very low40.8Very low154 Ų154151.2 Ų151.281%0.80682%0.823SS**  trans-75.8108.9-178-160.5168000110.1E156E156-L158 PolarHBondContact O-N 3.09Å
159E39.3Very low40.8Very low185 Ų185154.2 Ų154.286%0.86482%0.823SS**  trans-68.3129.4175.3-63.7-169.5139.100111.8S157S157-E159 PolarHBondContact O-N 2.92Å
160L47.3Very low40.4Very low163 Ų163153.7 Ų153.785%0.85382%0.819SS**  trans-135.795.4164.8-16773.9000110
161E44.5Very low40.5Very low201 Ų201153.4 Ų153.494%0.93981%0.814SS**  trans-74.3128.3171.2-172.9174.6-151.900109.8
162G33.1Very low40.6Very low65 Ų65157.1 Ų157.167%0.6782%0.82SS**  trans170.974.6-17300000115.5
163T37.9Very low40.9Very low125 Ų125153 Ų15377%0.76782%0.817SS**  trans2.2139.515747.30000121.8
164E39.1Very low40.8Very low179 Ų179156 Ų15684%0.83682%0.819SS**  trans89.5109.2146.1-71.4164.2-135.100122.2
165A43.6Very low41Very low112 Ų112155 Ų15593%0.92681%0.811SS**  trans32.792.1138.600000120.3
166G38.5Very low41.1Very low75 Ų75160 Ų16077%0.77381%0.811SS**  trans-150.4111.1167.300000114.6R168G166-R168 PolarHBondContact O-N 3.31Å; G166-R168 VanDerWaalsContact O-N 3.11Å
167R50.3Low41.2Very low251 Ų251156.2 Ų156.295%0.94780%0.802SS**  trans-69.7103.3176.4179.6-143.2-85.6-133.4-2.4111.4
168R37.3Very low41.6Very low221 Ų221156.5 Ų156.583%0.83480%0.799SS**  trans-132.4135.8148.1-83.2-154.2172.1-109.71.7111.9G166 E171G166-R168 PolarHBondContact O-N 3.31Å; G166-R168 VanDerWaalsContact O-N 3.11Å; R168-E171 IonicContact NH1-OE1 3.87Å
169R38.4Very low41.3Very low231 Ų231157.3 Ų157.387%0.87280%0.799SS**  trans-97137.1173.8-159.9-179.7-165-175.92.8106.8
170S35.4Very low41.4Very low96 Ų96158.4 Ų158.467%0.67180%0.796SS**  trans-74.6127.1177.5-173.30000110.4Y172S170-Y172 VanDerWaalsContact C-N 3.26Å; S170-Y172 PolarHBondContact O-N 3.35Å
171E41.7Very low41.2Very low148 Ų148156.6 Ų156.669%0.69279%0.794SS**G310 helixtrans-81.1-0.8-171.4-70.1162.4-173.500113R168 V173R168-E171 IonicContact NH1-OE1 3.87Å; E171-V173 VanDerWaalsContact C-N 3.29Å; E171-V173 PolarHBondContact O-N 3.37Å
172Y40.8Very low40.7Very low208 Ų208157.9 Ų157.982%0.81679%0.792SS**G310 helixtrans-79.1-0.3-175.2-150.1-98.9000115.5S170S170-Y172 VanDerWaalsContact C-N 3.26Å; S170-Y172 PolarHBondContact O-N 3.35Å
173V43.8Very low41.2Very low131 Ų131159.1 Ų159.179%0.79479%0.791SS**G310 helixtrans-89.2-17.4179-1780000111.9E171 M175E171-V173 VanDerWaalsContact C-N 3.29Å; E171-V173 PolarHBondContact O-N 3.37Å; V173-M175 PolarHBondContact O-N 2.87Å
174E46.7Very low41.3Very low178 Ų178160.2 Ų160.283%0.83279%0.791SS**THydrogen-bonded Turntrans-95.154.3-165.2-162.6160.1-140.400113.2
175M41.5Very low41.1Very low134 Ų134159.1 Ų159.166%0.6679%0.788SS**THydrogen-bonded Turntrans-126.9-30.1175-151.6-174.6-58.100115.1V173V173-M175 PolarHBondContact O-N 2.87Å
176Y41.1Very low40.9Very low199 Ų199159.6 Ų159.678%0.7878%0.781SS**  trans-144.691.9177.7-73.7-78.6000112.9V178Y176-V178 PolarHBondContact O-N 3.28Å
177P39.9Very low40.7Very low108 Ų108163.5 Ų163.570%0.70178%0.784SS**  trans-67.8126.4166-16.431.4000110.7E179P177-E179 HydrophobicContact CB-CG 4.23Å
178V45.2Very low39.9Very low122 Ų122156.8 Ų156.874%0.73978%0.776SS**  trans-11291.8170.7-179.60000108.1Y176 Y180Y176-V178 PolarHBondContact O-N 3.28Å; V178-Y180 HydrophobicContact CG1-CD2 4.44Å; V178-Y180 HydrophobicContact CG1-CE2 4.41Å
179E41.5Very low40Very low172 Ų172153.7 Ų153.780%0.80478%0.775SS**  trans-91.4117.5-171.9-62.8-178.1140.300111.6P177 P181P177-E179 HydrophobicContact CB-CG 4.23Å; E179-P181 WeakPolarHBondContact O-CD 3.28Å
180Y41.8Very low39.9Very low207 Ų207147.6 Ų147.681%0.81277%0.774SS**  trans-102.4105.3171.3-95.6-92.3000110V178 Y182V178-Y180 HydrophobicContact CG1-CD2 4.44Å; V178-Y180 HydrophobicContact CG1-CE2 4.41Å; Y180-Y182 PolarHBondContact O-N 3.27Å
181P42.6Very low39.8Very low125 Ų125151.6 Ų151.681%0.81278%0.782SS**  trans-83.182.4-173.532.3-35.5000113.7E179E179-P181 WeakPolarHBondContact O-CD 3.28Å
182Y34.4Very low39.2Very low228 Ų228149.5 Ų149.589%0.89478%0.784SS**  trans47.8163.7135.8-119.5-98.9000124Y180Y180-Y182 PolarHBondContact O-N 3.27Å
183S42.8Very low38.9Very low92 Ų92145.4 Ų145.464%0.64378%0.776SS**  trans-102142.9-174-71.30000115
184L41.7Very low38.3Very low147 Ų147149.6 Ų149.677%0.7778%0.779SS**  trans53122.2152.3-80.386.8000121.1
185M33.1Very low37.6Very low157 Ų157147.3 Ų147.377%0.77378%0.777SS**  trans146.2157136.5-82.6-59.7111.700111.4
186P40.4Very low37.5Very low122 Ų122148.7 Ų148.779%0.79279%0.786SS**  cis-120.3-164.3-29.638.6-22.8000111
187N34.5Very low37.5Very low156 Ų156145 Ų14583%0.83479%0.787SS**  trans-120.1116.6-169.5179.425.1000114.7
188S32.7Very low37.2Very low110 Ų110144.6 Ų144.677%0.76979%0.793SS**  trans-167117.4156.758.20000115.7
189L40.2Very low36.9Very low157 Ų157143.7 Ų143.782%0.82280%0.798SS**  trans34.5103142.7-71.2163.5000121.3
190A35.7Very low36.5Very low103 Ų103144.6 Ų144.685%0.85180%0.802SS**  -162.8147.9125.300000110.5
191H34.4Very low36.3Very low179 Ų179141.2 Ų141.283%0.82980%0.803SS**  trans-101.7140.7-179.7-65.879.6000112
192S29.4Very low36.7Very low104 Ų104140.6 Ų140.673%0.72780%0.799SS**  trans-165.2122.8130.9-159.10000112.4
193N33.1Very low36.7Very low122 Ų122138.6 Ų138.665%0.65280%0.803SS**  trans20.3136.6142.8-47.4-18.5000118.9
194Y31Very low36.5Very low220 Ų220138.6 Ų138.686%0.86381%0.809SS**  cis-142.415742.3-91.1-94.3000115.1
195T33.3Very low36.2Very low129 Ų129139 Ų13979%0.79181%0.811SS**PPolyproline II helixtrans-87.5137.1-178.8-48.10000112.6
196L38.1Very low36.4Very low163 Ų163139.1 Ų139.185%0.85381%0.81SS**PPolyproline II helixtrans-95.6132.2160.9-70171.9000109.6
197P41.1Very low36.2Very low121 Ų121138.5 Ų138.579%0.78681%0.805SS**PPolyproline II helixtrans-76.9146177.531.4-34.1000112.1
198A34.6Very low36.4Very low100 Ų100136.9 Ų136.983%0.82681%0.806SS**  trans-91.1175.2173.200000111.9
199A39.2Very low37.1Very low104 Ų104137.1 Ų137.186%0.8681%0.808SS**  trans-74.7148.1-17000000115
200E32.6Very low37.1Very low190 Ų190132.2 Ų132.289%0.88880%0.795SS**  trans-124.3149.4162.8-71-167.2161.800111.1
201T37.4Very low37.8Very low136 Ų136133.5 Ų133.583%0.83480%0.795SS**  trans-156.2163.5168.852.50000108.4
202P51.1Low38.3Very low112 Ų112131.4 Ų131.473%0.72780%0.795SS**  cis-129149.1-2334.1-18.4000113.3
203L34.5Very low39.1Very low187 Ų187137.2 Ų137.298%0.97980%0.801SS**  trans-139.3162.5158.7-79.2-177.5000111.4
204A38.8Very low39.9Very low91 Ų91135.6 Ų135.675%0.75280%0.804SS**  trans-100-165.3-157.300000115.3
205L35.9Very low40.5Very low157 Ų157133.3 Ų133.382%0.82280%0.799SS**  trans82.8129.3-173.5-51.4167.1000113.5
206E36.4Very low40.9Very low159 Ų159132.4 Ų132.474%0.74380%0.795SS**  cis-149.8146.6-11.9-97.3-64.285.300108.8S208E206-S208 PolarHBondContact O-N 3.29Å
207P36.8Very low41.3Very low108 Ų108131 Ų13170%0.70179%0.794SS**  trans-81.3103.1178.231.9-32.2000112.2S209P207-S209 PolarHBondContact O-N 3.15Å
208S38.8Very low41.8Very low122 Ų122129.7 Ų129.785%0.85379%0.792SS**  trans-62.999.2179-174.10000113E206 G210E206-S208 PolarHBondContact O-N 3.29Å; S208-G210 VanDerWaalsContact C-N 3.34Å; S208-G210 PolarHBondContact O-N 3.49Å
209S47.1Very low42.2Very low115 Ų115136.3 Ų136.380%0.80480%0.796SS**  trans-82.368.9-175.861.60000113P207P207-S209 PolarHBondContact O-N 3.15Å
210G39.6Very low42.6Very low54 Ų54135.3 Ų135.356%0.55780%0.796SS**  trans-80.8119.1171.100000112.1S208 V212S208-G210 VanDerWaalsContact C-N 3.34Å; S208-G210 PolarHBondContact O-N 3.49Å; G210-V212 VanDerWaalsContact C-N 3.26Å; G210-V212 PolarHBondContact O-N 2.82Å
211P49.7Very low43.6Very low130 Ų130131.3 Ų131.384%0.84478%0.777SS**  trans-79.967.6-174.733.5-36.8000112.4R213P211-R213 VanDerWaalsContact C-N 3.32Å; P211-R213 PolarHBondContact O-N 3.05Å
212V46.5Very low44.4Very low136 Ų136130.4 Ų130.482%0.82478%0.783SS**  trans-64.898.3163.1-179.80000107.2G210 A214G210-V212 VanDerWaalsContact C-N 3.26Å; G210-V212 PolarHBondContact O-N 2.82Å; V212-A214 PolarHBondContact O-N 2.94Å
213R46.1Very low45.2Very low226 Ų226126.7 Ų126.785%0.85377%0.765SS**  trans-67.577.5-177.1-172.1-176.1-176.2-177.54110.4P211 K215P211-R213 VanDerWaalsContact C-N 3.32Å; P211-R213 PolarHBondContact O-N 3.05Å; R213-K215 PolarHBondContact O-N 3.01Å
214A49.7Very low47.7Very low88 Ų88120.6 Ų120.673%0.72774%0.739SS**  trans-57.392164.900000107.8V212 P216V212-A214 PolarHBondContact O-N 2.94Å; A214-P216 WeakPolarHBondContact O-CD 3.04Å; A214-P216 VanDerWaalsContact O-N 3.09Å
215K42.4Very low50.4Low171 Ų171123.2 Ų123.274%0.74373%0.729SS**  trans-64.1110.3-170.6-173.6176.2-176.3178.20107.7R213 T217R213-K215 PolarHBondContact O-N 3.01Å; K215-T217 PolarHBondContact O-N 3.25Å
216P42Very low53.2Low111 Ų111116.8 Ų116.872%0.72170%0.695SS**  trans-65.6112.4-175.626.1-33000108.1A214 A218A214-P216 WeakPolarHBondContact O-CD 3.04Å; A214-P216 VanDerWaalsContact O-N 3.09Å; P216-A218 PolarHBondContact O-N 3.44Å
217T46.5Very low56Low134 Ų134112.6 Ų112.682%0.82268%0.676SS**  trans-75.966.1175.449.90000109.3K215 R219K215-T217 PolarHBondContact O-N 3.25Å; T217-R219 PolarHBondContact O-N 3.28Å
218A51.8Low58.8Low92 Ų92113.7 Ų113.776%0.7667%0.666SS**  trans-7271176.200000110.7P216P216-A218 PolarHBondContact O-N 3.44Å
219R43.2Very low61.5Low240 Ų240113 Ų11391%0.90665%0.645SS**SBendtrans-157109.3161-105.2168.2-170-161-0.5107.3T217 E221T217-R219 PolarHBondContact O-N 3.28Å; R219-E221 PolarHBondContact O-N 2.83Å
220G47.9Very low63.9Low82 Ų82107.8 Ų107.885%0.84561%0.609SS**  trans-78.6111-166.500000113.8
221E52.8Low66.5Low106 Ų106110.6 Ų110.650%0.49561%0.61SS.*  trans-131.862.5154.2-74.4-162.5168.800109.6R219 G223 R228R219-E221 PolarHBondContact O-N 2.83Å; E221-G223 PolarHBondContact O-N 2.99Å; E221-R228 PolarHBondContact O-NH2 3.37Å; E221-R228 VanDerWaalsContact O-NH2 3.14Å; E221-R228 IonicContact OE2-CZ 3.57Å; E221-R228 IonicContact OE2-NE 2.74Å; E221-R228 PolarHBondContact OE2-NE 3.4Å; E221-R228 IonicContact OE2-NH2 3.62Å
222A55.2Low68.8Low117 Ų117108.3 Ų108.397%0.96760%0.602SS**  trans-76.536.6173.700000112.4
223G66.9Low71.1Confident34 Ų34105.1 Ų105.135%0.35158%0.579SS.*  trans-99.9159.4-175.400000113.4E221 E227E221-G223 PolarHBondContact O-N 2.99Å; G223-E227 WeakPolarHBondContact CA-OE2 3.24Å
224S87.9Confident73.5Confident60 Ų60102.8 Ų102.842%0.4258%0.575SS.*  trans-55.1154.4171.4-177.10000112D226 E227 R228S224-D226 PolarHBondContact O-N 3.3Å; S224-D226 VanDerWaalsContact O-N 3.11Å; S224-E227 VanDerWaalsContact CB-CD 3.41Å; S224-E227 WeakPolarHBondContact CB-OE1 3.39Å; S224-E227 VanDerWaalsContact N-CD 3.29Å; S224-E227 PolarHBondContact N-OE2 3.04Å; S224-E227 WeakPolarHBondContact O-CA 3.47Å; S224-E227 WeakPolarHBondContact O-CB 3.32Å; S224-E227 PolarHBondContact O-N 3.42Å; S224-R228 PolarHBondContact O-N 2.92Å
225R94.3Very high75.7Confident146 Ų14699.3 Ų99.355%0.55154%0.544SS*.Hα-helixtrans-45.7-42.8169.5162.4-177.1148.4160.2-1.7112.1R229 R273R225-R229 WeakPolarHBondContact O-CG 3.45Å; R225-R229 PolarHBondContact O-N 3.38Å; R225-R273 VanDerWaalsContact NH2-NH1 3.12Å
226D95.3Very high78.3Confident22 Ų2294.2 Ų94.212%0.11853%0.529CS..Hα-helixtrans-82.4-21.1-175.6-73.6-21.1000112.1S224 A230 I270 R273S224-D226 PolarHBondContact O-N 3.3Å; S224-D226 VanDerWaalsContact O-N 3.11Å; D226-A230 WeakPolarHBondContact O-CB 3.44Å; D226-A230 PolarHBondContact O-N 3.44Å; D226-I270 HydrophobicContact CB-CD1 4.08Å; D226-I270 HydrophobicContact CB-CG1 3.87Å; D226-I270 HydrophobicContact CB-CG2 4.25Å; D226-I270 WeakPolarHBondContact O-CD1 3.3Å; D226-R273 IonicContact OD1-NH1 2.69Å; D226-R273 PolarHBondContact OD1-NH1 2.87Å; D226-R273 WeakPolarHBondContact OD2-CD 3.47Å; D226-R273 IonicContact OD2-NH1 3.61Å; D226-R273 PolarHBondContact OD2-NH1 3.5Å
227E96Very high80.8Confident71 Ų7189.7 Ų89.733%0.33250%0.498SS..Hα-helixtrans-70.8-47.5167.9-74.3146.5-133.900111.4G223 S224 R229 A230 L231 T239G223-E227 WeakPolarHBondContact CA-OE2 3.24Å; S224-E227 VanDerWaalsContact CB-CD 3.41Å; S224-E227 WeakPolarHBondContact CB-OE1 3.39Å; S224-E227 VanDerWaalsContact N-CD 3.29Å; S224-E227 PolarHBondContact N-OE2 3.04Å; S224-E227 WeakPolarHBondContact O-CA 3.47Å; S224-E227 WeakPolarHBondContact O-CB 3.32Å; S224-E227 PolarHBondContact O-N 3.42Å; E227-R229 PolarHBondContact O-N 3.23Å; E227-A230 PolarHBondContact O-N 2.93Å; E227-A230 VanDerWaalsContact O-N 3.08Å; E227-L231 WeakPolarHBondContact O-CG 3.39Å; E227-L231 PolarHBondContact O-N 3.35Å; E227-T239 HydrophobicContact CB-CG2 4.32Å; E227-T239 HydrophobicContact CG-CG2 3.66Å; E227-T239 WeakPolarHBondContact CG-OG1 3.1Å; E227-T239 PolarHBondContact OE1-OG1 3.17Å
228R95.7Very high83.2Confident130 Ų13086.9 Ų86.949%0.49148%0.482SS..Hα-helixtrans-59-36174.7-173.1177.2-70.3143.110.7111.5E221 S224 A232E221-R228 PolarHBondContact O-NH2 3.37Å; E221-R228 VanDerWaalsContact O-NH2 3.14Å; E221-R228 IonicContact OE2-CZ 3.57Å; E221-R228 IonicContact OE2-NE 2.74Å; E221-R228 PolarHBondContact OE2-NE 3.4Å; E221-R228 IonicContact OE2-NH2 3.62Å; S224-R228 PolarHBondContact O-N 2.92Å; R228-A232 VanDerWaalsContact O-CB 3.28Å; R228-A232 WeakPolarHBondContact O-CB 3.31Å; R228-A232 PolarHBondContact O-N 3.34Å
229R95.6Very high85.3Confident108 Ų10883.4 Ų83.441%0.40845%0.451SS..Hα-helixtrans-67.2-43.5172.9-74.2173.8173.2-134.6-3.7112.6R225 E227 A232 M233 L266R225-R229 WeakPolarHBondContact O-CG 3.45Å; R225-R229 PolarHBondContact O-N 3.38Å; E227-R229 PolarHBondContact O-N 3.23Å; R229-A232 PolarHBondContact O-N 3.44Å; R229-M233 WeakPolarHBondContact O-CB 3.33Å; R229-M233 PolarHBondContact O-N 2.72Å; R229-L266 HydrophobicContact CB-CD1 4.18Å; R229-L266 HydrophobicContact CB-CD2 4.14Å
230A96.3Very high87.8Confident6 Ų676.7 Ų76.75%0.0543%0.433CS..Hα-helixtrans-62.4-43.1176.400000111.9D226 E227 M233 K234 I235 T239 I270D226-A230 WeakPolarHBondContact O-CB 3.44Å; D226-A230 PolarHBondContact O-N 3.44Å; E227-A230 PolarHBondContact O-N 2.93Å; E227-A230 VanDerWaalsContact O-N 3.08Å; A230-M233 CarbonylContact O-C 3.51Å; A230-M233 PolarHBondContact O-N 2.98Å; A230-K234 PolarHBondContact O-N 2.84Å; A230-K234 VanDerWaalsContact O-N 3.07Å; A230-I235 HydrophobicContact CB-CB 4.12Å; A230-I235 HydrophobicContact CB-CG1 4.09Å; A230-I235 WeakPolarHBondContact O-CG1 3.23Å; A230-I235 PolarHBondContact O-N 2.6Å; A230-T239 HydrophobicContact CB-CG2 3.95Å; A230-I270 HydrophobicContact CB-CD1 4.31Å
231L95.8Very high90.1Very high113 Ų11378 Ų7859%0.59242%0.416SS*.Hα-helixtrans-63.5-46.9175.2-69.4170.4000111.9E227 M233 K234E227-L231 WeakPolarHBondContact O-CG 3.39Å; E227-L231 PolarHBondContact O-N 3.35Å; L231-M233 VanDerWaalsContact C-N 3.31Å; L231-M233 PolarHBondContact O-N 3.33Å; L231-K234 WeakPolarHBondContact O-CA 3.14Å; L231-K234 PolarHBondContact O-N 3.25Å
232A96.3Very high92.2Very high81 Ų8173 Ų7367%0.66939%0.392SS*.Hα-helixtrans-61-38177.700000112.8R228 R229 K234R228-A232 VanDerWaalsContact O-CB 3.28Å; R228-A232 WeakPolarHBondContact O-CB 3.31Å; R228-A232 PolarHBondContact O-N 3.34Å; R229-A232 PolarHBondContact O-N 3.44Å; A232-K234 VanDerWaalsContact C-N 3.27Å; A232-K234 PolarHBondContact O-N 2.85Å
233M95.8Very high94.2Very high70 Ų7068.5 Ų68.535%0.34535%0.353SS..THydrogen-bonded Turntrans-847173.8-71-64.8-70.100113.8R229 A230 L231 I235 Q263 L266R229-M233 WeakPolarHBondContact O-CB 3.33Å; R229-M233 PolarHBondContact O-N 2.72Å; A230-M233 CarbonylContact O-C 3.51Å; A230-M233 PolarHBondContact O-N 2.98Å; L231-M233 VanDerWaalsContact C-N 3.31Å; L231-M233 PolarHBondContact O-N 3.33Å; M233-I235 VanDerWaalsContact C-N 3.29Å; M233-I235 HydrophobicContact CB-CD1 4.3Å; M233-I235 HydrophobicContact CB-CG1 4.3Å; M233-I235 PolarHBondContact O-N 3.27Å; M233-Q263 HydrophobicContact CE-CG 3.93Å; M233-Q263 PolarHBondContact O-NE2 3.31Å; M233-L266 HydrophobicContact CB-CD2 3.81Å; M233-L266 HydrophobicContact CG-CD2 3.61Å
234K95.9Very high95.7Very high177 Ų17771.1 Ų71.177%0.7736%0.359SS*.THydrogen-bonded Turntrans52.540.3179.2-56.3-178.6-178.7178.40114.1A230 L231 A232A230-K234 PolarHBondContact O-N 2.84Å; A230-K234 VanDerWaalsContact O-N 3.07Å; L231-K234 WeakPolarHBondContact O-CA 3.14Å; L231-K234 PolarHBondContact O-N 3.25Å; A232-K234 VanDerWaalsContact C-N 3.27Å; A232-K234 PolarHBondContact O-N 2.85Å
235I96.9Very high96.1Very high15 Ų1570.2 Ų70.28%0.07735%0.349CS..  trans-65.5125.6174.5-56.7-56000109.1A230 M233 F237 I242 L259 Q263 V267A230-I235 HydrophobicContact CB-CB 4.12Å; A230-I235 HydrophobicContact CB-CG1 4.09Å; A230-I235 WeakPolarHBondContact O-CG1 3.23Å; A230-I235 PolarHBondContact O-N 2.6Å; M233-I235 VanDerWaalsContact C-N 3.29Å; M233-I235 HydrophobicContact CB-CD1 4.3Å; M233-I235 HydrophobicContact CB-CG1 4.3Å; M233-I235 PolarHBondContact O-N 3.27Å; I235-F237 HydrophobicContact CG2-CD2 3.59Å; I235-F237 HydrophobicContact CG2-CE1 4.38Å; I235-F237 HydrophobicContact CG2-CE2 3.37Å; I235-F237 HydrophobicContact CG2-CG 4.18Å; I235-F237 HydrophobicContact CG2-CZ 3.82Å; I235-F237 PolarHBondContact O-N 3.47Å; I235-F237 VanDerWaalsContact O-N 3.13Å; I235-I242 HydrophobicContact CG2-CD1 4.34Å; I235-L259 HydrophobicContact CD1-CD2 4.5Å; I235-Q263 HydrophobicContact CD1-CB 3.62Å; I235-Q263 HydrophobicContact CD1-CG 3.69Å; I235-V267 HydrophobicContact CD1-CG2 3.78Å; I235-V267 HydrophobicContact CG1-CG2 4.14Å; I235-V267 HydrophobicContact CG2-CG2 4Å
236P95.7Very high96.2Very high64 Ų6466.3 Ų66.342%0.41634%0.343SS..SBendtrans-81.312.9-169.632.7-35.8000114.7Y257 L259P236-Y257 HydrophobicContact CB-CD1 3.84Å; P236-Y257 HydrophobicContact CB-CE1 3.76Å; P236-Y257 HydrophobicContact CB-CG 4.49Å; P236-Y257 HydrophobicContact CG-CD1 3.37Å; P236-Y257 HydrophobicContact CG-CD2 4.2Å; P236-Y257 HydrophobicContact CG-CE1 3.77Å; P236-Y257 HydrophobicContact CG-CG 3.61Å; P236-L259 HydrophobicContact CG-CD2 4.29Å
237F95.6Very high96.3Very high15 Ų1568.9 Ų68.97%0.06636%0.359CS..SBendtrans-146.6151.2-179.643.3-105.8000111.5I235 I242 L253 L254 Y257 L259 V267I235-F237 HydrophobicContact CG2-CD2 3.59Å; I235-F237 HydrophobicContact CG2-CE1 4.38Å; I235-F237 HydrophobicContact CG2-CE2 3.37Å; I235-F237 HydrophobicContact CG2-CG 4.18Å; I235-F237 HydrophobicContact CG2-CZ 3.82Å; I235-F237 PolarHBondContact O-N 3.47Å; I235-F237 VanDerWaalsContact O-N 3.13Å; F237-I242 HydrophobicContact CD2-CD1 4.01Å; F237-I242 HydrophobicContact CD2-CG1 3.74Å; F237-I242 HydrophobicContact CE2-CD1 3.79Å; F237-I242 HydrophobicContact CE2-CG1 3.63Å; F237-L253 HydrophobicContact CB-CD1 4.47Å; F237-L253 HydrophobicContact CB-CD2 4.5Å; F237-L253 HydrophobicContact CD1-CD1 3.88Å; F237-L253 HydrophobicContact CD1-CD2 4.22Å; F237-L253 HydrophobicContact CD1-CG 3.98Å; F237-L253 HydrophobicContact CD2-CD2 4.05Å; F237-L253 HydrophobicContact CE1-CD1 4.37Å; F237-L253 HydrophobicContact CE1-CD2 4.46Å; F237-L253 HydrophobicContact CE1-CG 4.06Å; F237-L253 HydrophobicContact CE2-CD2 4.31Å; F237-L253 HydrophobicContact CG-CD1 4.24Å; F237-L253 HydrophobicContact CG-CD2 4Å; F237-L253 HydrophobicContact CG-CG 4.27Å; F237-L253 HydrophobicContact CZ-CG 4.43Å; F237-L254 HydrophobicContact CZ-CD2 4.13Å; F237-Y257 AromaticContact CD1-CD2 3.68Å; F237-Y257 HydrophobicContact CD1-CD2 3.68Å; F237-Y257 AromaticContact CD1-CE2 3.74Å; F237-Y257 HydrophobicContact CD1-CE2 3.74Å; F237-Y257 HydrophobicContact CD1-CG 4.4Å; F237-Y257 AromaticContact CE1-CD2 3.73Å; F237-Y257 HydrophobicContact CE1-CD2 3.73Å; F237-Y257 HydrophobicContact CE1-CE2 4.27Å; F237-Y257 HydrophobicContact CE1-CG 4.29Å; F237-L259 HydrophobicContact CE1-CD1 4.08Å; F237-L259 HydrophobicContact CZ-CD1 3.84Å; F237-V267 HydrophobicContact CE2-CG1 4.15Å; F237-V267 HydrophobicContact CE2-CG2 4.14Å; F237-V267 HydrophobicContact CZ-CG1 4.45Å; F237-V267 HydrophobicContact CZ-CG2 4.35Å
238P95.9Very high96.3Very high76 Ų7670.8 Ų70.849%0.49437%0.371SS..  trans-70152.4-176.629.1-36.3000112.9D240 K241 I242P238-D240 PolarHBondContact O-N 2.85Å; P238-K241 HydrophobicContact CG-CB 4.49Å; P238-K241 HydrophobicContact CG-CD 4.3Å; P238-K241 HydrophobicContact CG-CG 4.13Å; P238-K241 PolarHBondContact O-N 3.45Å; P238-I242 PolarHBondContact O-N 3.38Å
239T96.4Very high96.4Very high18 Ų1868.4 Ų68.411%0.1137%0.368CS..Hα-helixtrans-58.4-29.7175.7500000113.9E227 A230 K241 I242 V243 I270E227-T239 HydrophobicContact CB-CG2 4.32Å; E227-T239 HydrophobicContact CG-CG2 3.66Å; E227-T239 WeakPolarHBondContact CG-OG1 3.1Å; E227-T239 PolarHBondContact OE1-OG1 3.17Å; A230-T239 HydrophobicContact CB-CG2 3.95Å; T239-K241 PolarHBondContact O-N 2.99Å; T239-I242 WeakPolarHBondContact O-CB 3.14Å; T239-I242 PolarHBondContact O-N 3.41Å; T239-I242 VanDerWaalsContact O-N 3.13Å; T239-V243 WeakPolarHBondContact O-CG2 3.41Å; T239-V243 PolarHBondContact O-N 3.43Å; T239-I270 HydrophobicContact CG2-CD1 4.37Å; T239-I270 HydrophobicContact CG2-CG2 4.2Å
240D95.8Very high96.5Very high100 Ų10063.8 Ų63.854%0.53535%0.351SS..Hα-helixtrans-58.1-47.6176.3-170.384.6000111.4P238 I242 V243 N244P238-D240 PolarHBondContact O-N 2.85Å; D240-I242 VanDerWaalsContact C-N 3.32Å; D240-I242 PolarHBondContact O-N 3.28Å; D240-V243 PolarHBondContact O-N 3.3Å; D240-V243 VanDerWaalsContact O-N 3.15Å; D240-N244 VanDerWaalsContact O-CB 3.3Å; D240-N244 WeakPolarHBondContact O-CB 3.37Å; D240-N244 PolarHBondContact O-N 3.08Å; D240-N244 PolarHBondContact O-ND2 3.3Å; D240-N244 PolarHBondContact OD1-ND2 3.46Å; D240-N244 PolarHBondContact OD2-ND2 2.98Å
241K96.7Very high96.5Very high110 Ų11067.5 Ų67.548%0.47837%0.37SS..Hα-helixtrans-62.6-37.2174.3-71.6-171.3176.3-170.10112.5P238 T239 V243 L245 L253P238-K241 HydrophobicContact CG-CB 4.49Å; P238-K241 HydrophobicContact CG-CD 4.3Å; P238-K241 HydrophobicContact CG-CG 4.13Å; P238-K241 PolarHBondContact O-N 3.45Å; T239-K241 PolarHBondContact O-N 2.99Å; K241-V243 VanDerWaalsContact C-N 3.28Å; K241-V243 PolarHBondContact O-N 2.97Å; K241-L245 HydrophobicContact CB-CD1 4.12Å; K241-L245 HydrophobicContact CB-CG 4.4Å; K241-L245 WeakPolarHBondContact O-CB 3.38Å; K241-L245 WeakPolarHBondContact O-CD1 3.44Å; K241-L245 VanDerWaalsContact O-CG 3.23Å; K241-L245 WeakPolarHBondContact O-CG 3.3Å; K241-L245 PolarHBondContact O-N 3.45Å; K241-L253 HydrophobicContact CB-CD2 4.23Å
242I96.9Very high96.6Very high0 Ų066.8 Ų66.80%036%0.364CS..Hα-helixtrans-58.8-41.9175.5-61.5176.5000110.9I235 F237 P238 T239 D240 F250 V267 I270 R271I235-I242 HydrophobicContact CG2-CD1 4.34Å; F237-I242 HydrophobicContact CD2-CD1 4.01Å; F237-I242 HydrophobicContact CD2-CG1 3.74Å; F237-I242 HydrophobicContact CE2-CD1 3.79Å; F237-I242 HydrophobicContact CE2-CG1 3.63Å; P238-I242 PolarHBondContact O-N 3.38Å; T239-I242 WeakPolarHBondContact O-CB 3.14Å; T239-I242 PolarHBondContact O-N 3.41Å; T239-I242 VanDerWaalsContact O-N 3.13Å; D240-I242 VanDerWaalsContact C-N 3.32Å; D240-I242 PolarHBondContact O-N 3.28Å; I242-F250 HydrophobicContact CG2-CE2 4.22Å; I242-V267 HydrophobicContact CD1-CB 4.43Å; I242-V267 HydrophobicContact CD1-CG1 3.98Å; I242-V267 HydrophobicContact CD1-CG2 4.05Å; I242-V267 HydrophobicContact CG1-CG1 4.04Å; I242-V267 HydrophobicContact CG2-CG1 3.88Å; I242-V267 VanDerWaalsContact CG2-O 3.24Å; I242-V267 WeakPolarHBondContact CG2-O 3.34Å; I242-I270 HydrophobicContact CB-CG2 4.33Å; I242-I270 HydrophobicContact CD1-CG2 4.4Å; I242-I270 HydrophobicContact CG2-CB 4.08Å; I242-I270 HydrophobicContact CG2-CG2 3.81Å; I242-R271 HydrophobicContact CG2-CB 3.74Å; I242-R271 WeakPolarHBondContact O-CD 3.01Å; I242-R271 WeakPolarHBondContact O-CG 3.46Å; I242-R271 PolarHBondContact O-NE 2.86Å
243V97.1Very high96.6Very high23 Ų2363.8 Ų63.814%0.13934%0.337CS..Hα-helixtrans-85.2-40.6-175.6176.30000112.5T239 D240 K241 I270 K275T239-V243 WeakPolarHBondContact O-CG2 3.41Å; T239-V243 PolarHBondContact O-N 3.43Å; D240-V243 PolarHBondContact O-N 3.3Å; D240-V243 VanDerWaalsContact O-N 3.15Å; K241-V243 VanDerWaalsContact C-N 3.28Å; K241-V243 PolarHBondContact O-N 2.97Å; V243-I270 HydrophobicContact CG2-CG2 4.35Å; V243-K275 WeakPolarHBondContact O-CD 3.28Å; V243-K275 WeakPolarHBondContact O-CE 3.44Å; V243-K275 PolarHBondContact O-NZ 3.29Å
244N97.3Very high96.6Very high89 Ų8961.5 Ų61.548%0.47633%0.325SS..Hα-helixtrans-87.2-36.7-165.7-67.8-20.6000113.7D240 K275D240-N244 VanDerWaalsContact O-CB 3.3Å; D240-N244 WeakPolarHBondContact O-CB 3.37Å; D240-N244 PolarHBondContact O-N 3.08Å; D240-N244 PolarHBondContact O-ND2 3.3Å; D240-N244 PolarHBondContact OD1-ND2 3.46Å; D240-N244 PolarHBondContact OD2-ND2 2.98Å; N244-K275 PolarHBondContact O-NZ 2.91Å
245L97.4Very high96.6Very high40 Ų4057.2 Ų57.221%0.20932%0.323CS..SBendtrans-55.2149-175.6-71.7176.8000113.5K241 D249 F250 L253 R271 K275K241-L245 HydrophobicContact CB-CD1 4.12Å; K241-L245 HydrophobicContact CB-CG 4.4Å; K241-L245 WeakPolarHBondContact O-CB 3.38Å; K241-L245 WeakPolarHBondContact O-CD1 3.44Å; K241-L245 VanDerWaalsContact O-CG 3.23Å; K241-L245 WeakPolarHBondContact O-CG 3.3Å; K241-L245 PolarHBondContact O-N 3.45Å; L245-D249 HydrophobicContact CB-CB 4.23Å; L245-D249 HydrophobicContact CD1-CB 4.24Å; L245-D249 HydrophobicContact CD2-CB 3.94Å; L245-D249 HydrophobicContact CG-CB 4.35Å; L245-F250 HydrophobicContact CB-CB 4.19Å; L245-L253 HydrophobicContact CD1-CB 4.38Å; L245-L253 HydrophobicContact CD1-CD2 3.73Å; L245-R271 PolarHBondContact O-NH2 2.76Å; L245-K275 PolarHBondContact O-NZ 2.91Å
246P96.8Very high96.5Very high65 Ų6564.3 Ų64.342%0.42235%0.349SS..  trans-62.2176.5167.131.2-37000110.6D249 F250 R271P246-D249 WeakPolarHBondContact CD-OD2 3.26Å; P246-D249 HydrophobicContact CG-CB 3.82Å; P246-D249 VanDerWaalsContact CG-OD2 3.3Å; P246-D249 WeakPolarHBondContact CG-OD2 3.32Å; P246-F250 WeakPolarHBondContact O-CB 3.02Å; P246-F250 PolarHBondContact O-N 3.34Å; P246-R271 VanDerWaalsContact C-NH2 3.29Å; P246-R271 PolarHBondContact O-NH2 3.44Å
247V96.2Very high96.5Very high75 Ų7565.9 Ų65.946%0.45535%0.347SS..Hα-helixtrans-68.4-36.4-175.464.50000112.2F250 N251V247-F250 PolarHBondContact O-N 2.89Å; V247-N251 WeakPolarHBondContact O-CB 3.41Å; V247-N251 PolarHBondContact O-N 2.85Å; V247-N251 PolarHBondContact O-ND2 2.91Å
248D97.1Very high96.4Very high111 Ų11171.4 Ų71.459%0.59439%0.385SS*.Hα-helixtrans-75.1-55-173.3-46.8-74.8000111.5F250 N251 E252D248-F250 PolarHBondContact O-N 3.49Å; D248-F250 VanDerWaalsContact O-N 3.15Å; D248-N251 PolarHBondContact O-N 3.49Å; D248-E252 PolarHBondContact O-N 3.39Å
249D97.7Very high96.4Very high81 Ų8169.1 Ų69.143%0.43337%0.368SS..Hα-helixtrans-54.1-34.8171.6-57.58.1000112.5L245 P246 L253L245-D249 HydrophobicContact CB-CB 4.23Å; L245-D249 HydrophobicContact CD1-CB 4.24Å; L245-D249 HydrophobicContact CD2-CB 3.94Å; L245-D249 HydrophobicContact CG-CB 4.35Å; P246-D249 WeakPolarHBondContact CD-OD2 3.26Å; P246-D249 HydrophobicContact CG-CB 3.82Å; P246-D249 VanDerWaalsContact CG-OD2 3.3Å; P246-D249 WeakPolarHBondContact CG-OD2 3.32Å; D249-L253 WeakPolarHBondContact O-CB 3.37Å; D249-L253 PolarHBondContact O-N 2.87Å
250F97.6Very high96.4Very high10 Ų1071.7 Ų71.74%0.04438%0.384CS..Hα-helixtrans-70.2-43.2176.8172.9-102.6000111.4I242 L245 P246 V247 D248 E252 L253 L254 V267 R271I242-F250 HydrophobicContact CG2-CE2 4.22Å; L245-F250 HydrophobicContact CB-CB 4.19Å; P246-F250 WeakPolarHBondContact O-CB 3.02Å; P246-F250 PolarHBondContact O-N 3.34Å; V247-F250 PolarHBondContact O-N 2.89Å; D248-F250 PolarHBondContact O-N 3.49Å; D248-F250 VanDerWaalsContact O-N 3.15Å; F250-E252 VanDerWaalsContact C-N 3.35Å; F250-L253 PolarHBondContact O-N 3.4Å; F250-L254 HydrophobicContact CD1-CD1 4.32Å; F250-L254 HydrophobicContact CE1-CD1 3.67Å; F250-L254 HydrophobicContact CE1-CG 4.31Å; F250-L254 HydrophobicContact CE2-CD1 4.49Å; F250-L254 HydrophobicContact CE2-CD2 4.43Å; F250-L254 HydrophobicContact CE2-CG 4.4Å; F250-L254 HydrophobicContact CZ-CD1 3.78Å; F250-L254 HydrophobicContact CZ-CD2 4.36Å; F250-L254 HydrophobicContact CZ-CG 4.16Å; F250-L254 WeakPolarHBondContact O-CG 3.44Å; F250-L254 PolarHBondContact O-N 3.17Å; F250-V267 HydrophobicContact CE2-CG1 3.76Å; F250-V267 HydrophobicContact CZ-CG1 3.9Å; F250-R271 HydrophobicContact CZ-CB 4.47Å
251N96.4Very high96.5Very high84 Ų8474.9 Ų74.945%0.44940%0.395SS..Hα-helixtrans-65.1-39.7175-70-21.8000111.2V247 D248 L254 A255V247-N251 WeakPolarHBondContact O-CB 3.41Å; V247-N251 PolarHBondContact O-N 2.85Å; V247-N251 PolarHBondContact O-ND2 2.91Å; D248-N251 PolarHBondContact O-N 3.49Å; N251-L254 PolarHBondContact O-N 2.97Å; N251-A255 PolarHBondContact O-N 2.85Å
252E97.1Very high96.5Very high98 Ų9873 Ų7346%0.45840%0.396SS..Hα-helixtrans-65.9-41.8174.9-150.1-140.8155.500111.5D248 F250 L254 A255 R256D248-E252 PolarHBondContact O-N 3.39Å; F250-E252 VanDerWaalsContact C-N 3.35Å; E252-L254 VanDerWaalsContact C-N 3.29Å; E252-L254 PolarHBondContact O-N 3.19Å; E252-A255 PolarHBondContact O-N 3.37Å; E252-A255 VanDerWaalsContact O-N 3.13Å; E252-R256 VanDerWaalsContact CD-NE 3.27Å; E252-R256 VanDerWaalsContact O-CG 3.3Å; E252-R256 WeakPolarHBondContact O-CG 3.36Å; E252-R256 PolarHBondContact O-N 3.08Å; E252-R256 IonicContact OE1-CZ 3.13Å; E252-R256 IonicContact OE1-NE 2.77Å; E252-R256 PolarHBondContact OE1-NE 3.06Å; E252-R256 IonicContact OE1-NH2 2.71Å; E252-R256 PolarHBondContact OE1-NH2 3.4Å; E252-R256 IonicContact OE2-CZ 3.43Å; E252-R256 IonicContact OE2-NE 3.54Å; E252-R256 IonicContact OE2-NH2 2.84Å; E252-R256 PolarHBondContact OE2-NH2 3.14Å
253L95.8Very high96.6Very high19 Ų1974.3 Ų74.310%0.09940%0.402CS..Hα-helixtrans-59.2-38.9172.8-179.467.1000111.8F237 K241 L245 D249 F250 Y257F237-L253 HydrophobicContact CB-CD1 4.47Å; F237-L253 HydrophobicContact CB-CD2 4.5Å; F237-L253 HydrophobicContact CD1-CD1 3.88Å; F237-L253 HydrophobicContact CD1-CD2 4.22Å; F237-L253 HydrophobicContact CD1-CG 3.98Å; F237-L253 HydrophobicContact CD2-CD2 4.05Å; F237-L253 HydrophobicContact CE1-CD1 4.37Å; F237-L253 HydrophobicContact CE1-CD2 4.46Å; F237-L253 HydrophobicContact CE1-CG 4.06Å; F237-L253 HydrophobicContact CE2-CD2 4.31Å; F237-L253 HydrophobicContact CG-CD1 4.24Å; F237-L253 HydrophobicContact CG-CD2 4Å; F237-L253 HydrophobicContact CG-CG 4.27Å; F237-L253 HydrophobicContact CZ-CG 4.43Å; K241-L253 HydrophobicContact CB-CD2 4.23Å; L245-L253 HydrophobicContact CD1-CB 4.38Å; L245-L253 HydrophobicContact CD1-CD2 3.73Å; D249-L253 WeakPolarHBondContact O-CB 3.37Å; D249-L253 PolarHBondContact O-N 2.87Å; F250-L253 PolarHBondContact O-N 3.4Å; L253-Y257 HydrophobicContact CD1-CD2 4.28Å; L253-Y257 HydrophobicContact CD1-CE2 3.83Å; L253-Y257 WeakPolarHBondContact O-CD2 3.49Å
254L96.4Very high96.6Very high21 Ų2175 Ų7511%0.1141%0.405CS..Hα-helixtrans-67.6-39.9173.7-68.6-175.3000112.2F237 F250 N251 E252 R256 Y257 L259 L264 V267F237-L254 HydrophobicContact CZ-CD2 4.13Å; F250-L254 HydrophobicContact CD1-CD1 4.32Å; F250-L254 HydrophobicContact CE1-CD1 3.67Å; F250-L254 HydrophobicContact CE1-CG 4.31Å; F250-L254 HydrophobicContact CE2-CD1 4.49Å; F250-L254 HydrophobicContact CE2-CD2 4.43Å; F250-L254 HydrophobicContact CE2-CG 4.4Å; F250-L254 HydrophobicContact CZ-CD1 3.78Å; F250-L254 HydrophobicContact CZ-CD2 4.36Å; F250-L254 HydrophobicContact CZ-CG 4.16Å; F250-L254 WeakPolarHBondContact O-CG 3.44Å; F250-L254 PolarHBondContact O-N 3.17Å; N251-L254 PolarHBondContact O-N 2.97Å; E252-L254 VanDerWaalsContact C-N 3.29Å; E252-L254 PolarHBondContact O-N 3.19Å; L254-R256 VanDerWaalsContact C-N 3.34Å; L254-R256 PolarHBondContact O-N 3.44Å; L254-Y257 PolarHBondContact O-N 3.36Å; L254-L259 HydrophobicContact CD2-CD1 3.83Å; L254-L264 HydrophobicContact CD1-CD2 4.19Å; L254-L264 HydrophobicContact CD2-CD2 3.88Å; L254-L264 HydrophobicContact CG-CD2 4.43Å; L254-V267 HydrophobicContact CD2-CG1 3.87Å
255A95.5Very high96.7Very high87 Ų8773.4 Ų73.472%0.71940%0.404SS*.Hα-helixtrans-68.4-30.5179.600000113.3N251 E252 Y257N251-A255 PolarHBondContact O-N 2.85Å; E252-A255 PolarHBondContact O-N 3.37Å; E252-A255 VanDerWaalsContact O-N 3.13Å; A255-Y257 VanDerWaalsContact C-N 3.27Å; A255-Y257 PolarHBondContact O-N 3.39Å
256R95.4Very high96.7Very high164 Ų16472.5 Ų72.562%0.61940%0.399SS*.THydrogen-bonded Turntrans-70.9-11.2179.3-74.2173.7-179.6-164.610.1114.9E252 L254E252-R256 VanDerWaalsContact CD-NE 3.27Å; E252-R256 VanDerWaalsContact O-CG 3.3Å; E252-R256 WeakPolarHBondContact O-CG 3.36Å; E252-R256 PolarHBondContact O-N 3.08Å; E252-R256 IonicContact OE1-CZ 3.13Å; E252-R256 IonicContact OE1-NE 2.77Å; E252-R256 PolarHBondContact OE1-NE 3.06Å; E252-R256 IonicContact OE1-NH2 2.71Å; E252-R256 PolarHBondContact OE1-NH2 3.4Å; E252-R256 IonicContact OE2-CZ 3.43Å; E252-R256 IonicContact OE2-NE 3.54Å; E252-R256 IonicContact OE2-NH2 2.84Å; E252-R256 PolarHBondContact OE2-NH2 3.14Å; L254-R256 VanDerWaalsContact C-N 3.34Å; L254-R256 PolarHBondContact O-N 3.44Å
257Y94.7Very high96.7Very high98 Ų9869.4 Ų69.438%0.38438%0.379SS..SBendtrans-130133.7-177.7-68.6-82.2000112.6P236 F237 L253 L254 A255 L259P236-Y257 HydrophobicContact CB-CD1 3.84Å; P236-Y257 HydrophobicContact CB-CE1 3.76Å; P236-Y257 HydrophobicContact CB-CG 4.49Å; P236-Y257 HydrophobicContact CG-CD1 3.37Å; P236-Y257 HydrophobicContact CG-CD2 4.2Å; P236-Y257 HydrophobicContact CG-CE1 3.77Å; P236-Y257 HydrophobicContact CG-CG 3.61Å; F237-Y257 AromaticContact CD1-CD2 3.68Å; F237-Y257 HydrophobicContact CD1-CD2 3.68Å; F237-Y257 AromaticContact CD1-CE2 3.74Å; F237-Y257 HydrophobicContact CD1-CE2 3.74Å; F237-Y257 HydrophobicContact CD1-CG 4.4Å; F237-Y257 AromaticContact CE1-CD2 3.73Å; F237-Y257 HydrophobicContact CE1-CD2 3.73Å; F237-Y257 HydrophobicContact CE1-CE2 4.27Å; F237-Y257 HydrophobicContact CE1-CG 4.29Å; L253-Y257 HydrophobicContact CD1-CD2 4.28Å; L253-Y257 HydrophobicContact CD1-CE2 3.83Å; L253-Y257 WeakPolarHBondContact O-CD2 3.49Å; L254-Y257 PolarHBondContact O-N 3.36Å; A255-Y257 VanDerWaalsContact C-N 3.27Å; A255-Y257 PolarHBondContact O-N 3.39Å; Y257-L259 PolarHBondContact O-N 2.98Å
258P94Very high96.8Very high131 Ų13172.7 Ų72.785%0.85138%0.383SS*.  trans-7586.6176.431.1-34.5000110.7
259L95.9Very high96.8Very high28 Ų2869 Ų6915%0.14736%0.364CS..  trans-95.4142.2-179.7-62.6172.8000111.8I235 P236 F237 L254 Y257 Q263 L264I235-L259 HydrophobicContact CD1-CD2 4.5Å; P236-L259 HydrophobicContact CG-CD2 4.29Å; F237-L259 HydrophobicContact CE1-CD1 4.08Å; F237-L259 HydrophobicContact CZ-CD1 3.84Å; L254-L259 HydrophobicContact CD2-CD1 3.83Å; Y257-L259 PolarHBondContact O-N 2.98Å; L259-Q263 HydrophobicContact CB-CB 4.2Å; L259-Q263 HydrophobicContact CD2-CB 4.3Å; L259-L264 HydrophobicContact CB-CD2 3.96Å; L259-L264 HydrophobicContact CB-CG 3.93Å; L259-L264 HydrophobicContact CD1-CD2 3.86Å
260T97.4Very high96.8Very high71 Ų7165.3 Ų65.344%0.43634%0.344SS..  trans-70.8159.8171.170.70000111.3S262 Q263 L264T260-S262 PolarHBondContact O-N 3.35Å; T260-S262 PolarHBondContact OG1-OG 2.86Å; T260-Q263 WeakPolarHBondContact O-CB 3.48Å; T260-Q263 PolarHBondContact O-N 3.21Å; T260-Q263 WeakPolarHBondContact OG1-CG 3.43Å; T260-Q263 PolarHBondContact OG1-N 3.02Å; T260-Q263 VanDerWaalsContact OG1-N 3.09Å; T260-L264 WeakPolarHBondContact O-CG 2.75Å; T260-L264 PolarHBondContact O-N 2.99Å
261E97.1Very high96.8Very high167 Ų16767 Ų6778%0.7835%0.35SS*.Hα-helixtrans-55.2-40.5173.4-176175.2-153.900112.5Q263 L264 A265E261-Q263 PolarHBondContact O-N 3.12Å; E261-L264 PolarHBondContact O-N 3.46Å; E261-A265 WeakPolarHBondContact O-CB 3.48Å; E261-A265 PolarHBondContact O-N 2.91Å
262S97.6Very high96.9Very high70 Ų7070.8 Ų70.849%0.4936%0.358SS..Hα-helixtrans-67.2-33.1176.554.10000113.5T260 L266T260-S262 PolarHBondContact O-N 3.35Å; T260-S262 PolarHBondContact OG1-OG 2.86Å; S262-L266 PolarHBondContact O-N 3.13Å
263Q97.9Very high97Very high29 Ų2969.3 Ų69.314%0.13635%0.348CS..Hα-helixtrans-69.1-45.6170.1-73.6173.3-37.600111.1M233 I235 L259 T260 E261 A265 L266 V267M233-Q263 HydrophobicContact CE-CG 3.93Å; M233-Q263 PolarHBondContact O-NE2 3.31Å; I235-Q263 HydrophobicContact CD1-CB 3.62Å; I235-Q263 HydrophobicContact CD1-CG 3.69Å; L259-Q263 HydrophobicContact CB-CB 4.2Å; L259-Q263 HydrophobicContact CD2-CB 4.3Å; T260-Q263 WeakPolarHBondContact O-CB 3.48Å; T260-Q263 PolarHBondContact O-N 3.21Å; T260-Q263 WeakPolarHBondContact OG1-CG 3.43Å; T260-Q263 PolarHBondContact OG1-N 3.02Å; T260-Q263 VanDerWaalsContact OG1-N 3.09Å; E261-Q263 PolarHBondContact O-N 3.12Å; Q263-A265 VanDerWaalsContact C-N 3.34Å; Q263-A265 PolarHBondContact O-N 2.96Å; Q263-L266 PolarHBondContact O-N 2.76Å; Q263-V267 VanDerWaalsContact O-CG2 3.31Å; Q263-V267 WeakPolarHBondContact O-CG2 3.36Å; Q263-V267 PolarHBondContact O-N 3.44Å
264L97.8Very high97Very high38 Ų3869 Ų6920%0.19935%0.35CS..Hα-helixtrans-60.9-41.2177.6-69.9170.1000112.1L254 L259 T260 E261 V267 R268L254-L264 HydrophobicContact CD1-CD2 4.19Å; L254-L264 HydrophobicContact CD2-CD2 3.88Å; L254-L264 HydrophobicContact CG-CD2 4.43Å; L259-L264 HydrophobicContact CB-CD2 3.96Å; L259-L264 HydrophobicContact CB-CG 3.93Å; L259-L264 HydrophobicContact CD1-CD2 3.86Å; T260-L264 WeakPolarHBondContact O-CG 2.75Å; T260-L264 PolarHBondContact O-N 2.99Å; E261-L264 PolarHBondContact O-N 3.46Å; L264-V267 PolarHBondContact O-N 2.89Å; L264-R268 WeakPolarHBondContact O-CB 3.33Å; L264-R268 VanDerWaalsContact O-CG 3.26Å; L264-R268 WeakPolarHBondContact O-CG 3.42Å; L264-R268 PolarHBondContact O-N 3.46Å
265A97.9Very high97.1Very high55 Ų5572 Ų7246%0.45536%0.362SS..Hα-helixtrans-60.8-45.9174.500000111.8E261 Q263 D269E261-A265 WeakPolarHBondContact O-CB 3.48Å; E261-A265 PolarHBondContact O-N 2.91Å; Q263-A265 VanDerWaalsContact C-N 3.34Å; Q263-A265 PolarHBondContact O-N 2.96Å; A265-D269 WeakPolarHBondContact O-CB 3.42Å; A265-D269 PolarHBondContact O-N 3.05Å
266L97.8Very high97.2Very high21 Ų2173.3 Ų73.311%0.1136%0.356CS..Hα-helixtrans-61.6-48.4174.6176.363.5000111.6R229 M233 S262 Q263 R268 D269 I270R229-L266 HydrophobicContact CB-CD1 4.18Å; R229-L266 HydrophobicContact CB-CD2 4.14Å; M233-L266 HydrophobicContact CB-CD2 3.81Å; M233-L266 HydrophobicContact CG-CD2 3.61Å; S262-L266 PolarHBondContact O-N 3.13Å; Q263-L266 PolarHBondContact O-N 2.76Å; L266-R268 VanDerWaalsContact C-N 3.32Å; L266-R268 PolarHBondContact O-N 3.27Å; L266-D269 PolarHBondContact O-N 3.5Å; L266-D269 VanDerWaalsContact O-N 3.17Å; L266-I270 HydrophobicContact CD1-CD1 3.84Å; L266-I270 HydrophobicContact CD1-CG1 3.93Å; L266-I270 HydrophobicContact CD2-CD1 4.31Å; L266-I270 HydrophobicContact CG-CD1 3.77Å; L266-I270 HydrophobicContact CG-CG1 4.23Å; L266-I270 VanDerWaalsContact O-CG1 3.3Å; L266-I270 WeakPolarHBondContact O-CG1 3.39Å; L266-I270 PolarHBondContact O-N 2.89Å
267V98.1Very high97.3Very high0 Ų072 Ų720%036%0.356CS..Hα-helixtrans-61-40.7-178171.50000111.3I235 F237 I242 F250 L254 Q263 L264 I270 R271I235-V267 HydrophobicContact CD1-CG2 3.78Å; I235-V267 HydrophobicContact CG1-CG2 4.14Å; I235-V267 HydrophobicContact CG2-CG2 4Å; F237-V267 HydrophobicContact CE2-CG1 4.15Å; F237-V267 HydrophobicContact CE2-CG2 4.14Å; F237-V267 HydrophobicContact CZ-CG1 4.45Å; F237-V267 HydrophobicContact CZ-CG2 4.35Å; I242-V267 HydrophobicContact CD1-CB 4.43Å; I242-V267 HydrophobicContact CD1-CG1 3.98Å; I242-V267 HydrophobicContact CD1-CG2 4.05Å; I242-V267 HydrophobicContact CG1-CG1 4.04Å; I242-V267 HydrophobicContact CG2-CG1 3.88Å; I242-V267 VanDerWaalsContact CG2-O 3.24Å; I242-V267 WeakPolarHBondContact CG2-O 3.34Å; F250-V267 HydrophobicContact CE2-CG1 3.76Å; F250-V267 HydrophobicContact CZ-CG1 3.9Å; L254-V267 HydrophobicContact CD2-CG1 3.87Å; Q263-V267 VanDerWaalsContact O-CG2 3.31Å; Q263-V267 WeakPolarHBondContact O-CG2 3.36Å; Q263-V267 PolarHBondContact O-N 3.44Å; L264-V267 PolarHBondContact O-N 2.89Å; V267-I270 PolarHBondContact O-N 2.99Å; V267-R271 PolarHBondContact O-N 2.84Å
268R97.5Very high97.4Very high143 Ų14370.2 Ų70.254%0.5435%0.354SS..Hα-helixtrans-63.8-43.3173.8-71.5168.9-178.8146.9-0.6112.5L264 L266 R271 R272L264-R268 WeakPolarHBondContact O-CB 3.33Å; L264-R268 VanDerWaalsContact O-CG 3.26Å; L264-R268 WeakPolarHBondContact O-CG 3.42Å; L264-R268 PolarHBondContact O-N 3.46Å; L266-R268 VanDerWaalsContact C-N 3.32Å; L266-R268 PolarHBondContact O-N 3.27Å; R268-R271 PolarHBondContact O-N 2.83Å; R268-R272 WeakPolarHBondContact O-CB 3.25Å; R268-R272 PolarHBondContact O-N 3.24Å
269D97.9Very high97.6Very high35 Ų3566.6 Ų66.619%0.18734%0.335CS..Hα-helixtrans-66.2-39.5177.5175.750.6000112.5A265 L266 R272 R273A265-D269 WeakPolarHBondContact O-CB 3.42Å; A265-D269 PolarHBondContact O-N 3.05Å; L266-D269 PolarHBondContact O-N 3.5Å; L266-D269 VanDerWaalsContact O-N 3.17Å; D269-R272 PolarHBondContact O-N 3.31Å; D269-R272 IonicContact OD1-CZ 2.77Å; D269-R272 IonicContact OD1-NE 3.34Å; D269-R272 IonicContact OD1-NH2 3.36Å; D269-R272 PolarHBondContact OD1-NH2 3.46Å; D269-R273 WeakPolarHBondContact O-CG 3.31Å; D269-R273 PolarHBondContact O-N 3.46Å; D269-R273 IonicContact OD1-CZ 2.83Å; D269-R273 IonicContact OD1-NE 3.33Å; D269-R273 PolarHBondContact OD1-NE 2.95Å; D269-R273 IonicContact OD1-NH2 3.52Å; D269-R273 PolarHBondContact OD1-NH2 3.41Å; D269-R273 IonicContact OD2-CZ 3.44Å; D269-R273 IonicContact OD2-NE 3.35Å; D269-R273 IonicContact OD2-NH1 2.6Å; D269-R273 PolarHBondContact OD2-NH1 3.25Å; D269-R273 IonicContact OD2-NH2 2.91Å; D269-R273 PolarHBondContact OD2-NH2 3.46Å
270I97.4Very high97.7Very high3 Ų367.1 Ų67.12%0.01534%0.344CS..Hα-helixtrans-60.7-49.4171.7-66.8177.3000110.4D226 A230 T239 I242 V243 L266 V267 R272 R273 G274D226-I270 HydrophobicContact CB-CD1 4.08Å; D226-I270 HydrophobicContact CB-CG1 3.87Å; D226-I270 HydrophobicContact CB-CG2 4.25Å; D226-I270 WeakPolarHBondContact O-CD1 3.3Å; A230-I270 HydrophobicContact CB-CD1 4.31Å; T239-I270 HydrophobicContact CG2-CD1 4.37Å; T239-I270 HydrophobicContact CG2-CG2 4.2Å; I242-I270 HydrophobicContact CB-CG2 4.33Å; I242-I270 HydrophobicContact CD1-CG2 4.4Å; I242-I270 HydrophobicContact CG2-CB 4.08Å; I242-I270 HydrophobicContact CG2-CG2 3.81Å; V243-I270 HydrophobicContact CG2-CG2 4.35Å; L266-I270 HydrophobicContact CD1-CD1 3.84Å; L266-I270 HydrophobicContact CD1-CG1 3.93Å; L266-I270 HydrophobicContact CD2-CD1 4.31Å; L266-I270 HydrophobicContact CG-CD1 3.77Å; L266-I270 HydrophobicContact CG-CG1 4.23Å; L266-I270 VanDerWaalsContact O-CG1 3.3Å; L266-I270 WeakPolarHBondContact O-CG1 3.39Å; L266-I270 PolarHBondContact O-N 2.89Å; V267-I270 PolarHBondContact O-N 2.99Å; I270-R272 PolarHBondContact O-N 3.44Å; I270-R273 PolarHBondContact O-N 3.35Å; I270-G274 PolarHBondContact O-N 2.75Å
271R98.1Very high97.8Very high44 Ų4468.8 Ų68.817%0.16635%0.347CS..Hα-helixtrans-57.9-47.4177.7-172.9162.5-164-109.87.2111.6I242 L245 P246 F250 V267 R268 R273 G274 K275I242-R271 HydrophobicContact CG2-CB 3.74Å; I242-R271 WeakPolarHBondContact O-CD 3.01Å; I242-R271 WeakPolarHBondContact O-CG 3.46Å; I242-R271 PolarHBondContact O-NE 2.86Å; L245-R271 PolarHBondContact O-NH2 2.76Å; P246-R271 VanDerWaalsContact C-NH2 3.29Å; P246-R271 PolarHBondContact O-NH2 3.44Å; F250-R271 HydrophobicContact CZ-CB 4.47Å; V267-R271 PolarHBondContact O-N 2.84Å; R268-R271 PolarHBondContact O-N 2.83Å; R271-R273 PolarHBondContact O-N 3.4Å; R271-G274 PolarHBondContact O-N 3.02Å; R271-K275 HydrophobicContact CG-CG 4.35Å; R271-K275 WeakPolarHBondContact O-CG 3.33Å; R271-K275 PolarHBondContact O-N 2.92Å
272R98Very high97.8Very high165 Ų16564.6 Ų64.662%0.62333%0.33SS*.Hα-helixtrans-57.7-46.3178.3-175-174.866.5101.31.1112R268 D269 I270 N276R268-R272 WeakPolarHBondContact O-CB 3.25Å; R268-R272 PolarHBondContact O-N 3.24Å; D269-R272 PolarHBondContact O-N 3.31Å; D269-R272 IonicContact OD1-CZ 2.77Å; D269-R272 IonicContact OD1-NE 3.34Å; D269-R272 IonicContact OD1-NH2 3.36Å; D269-R272 PolarHBondContact OD1-NH2 3.46Å; I270-R272 PolarHBondContact O-N 3.44Å; R272-N276 VanDerWaalsContact O-CB 3.25Å; R272-N276 WeakPolarHBondContact O-CB 3.41Å; R272-N276 PolarHBondContact O-N 3.26Å
273R97.8Very high97.9Very high67 Ų6765.4 Ų65.425%0.25334%0.335SS..Hα-helixtrans-65.5-44.4176.4-72.9175.5-173.3155.811.5112.6R225 D226 D269 I270 R271 N276 K277R225-R273 VanDerWaalsContact NH2-NH1 3.12Å; D226-R273 IonicContact OD1-NH1 2.69Å; D226-R273 PolarHBondContact OD1-NH1 2.87Å; D226-R273 WeakPolarHBondContact OD2-CD 3.47Å; D226-R273 IonicContact OD2-NH1 3.61Å; D226-R273 PolarHBondContact OD2-NH1 3.5Å; D269-R273 WeakPolarHBondContact O-CG 3.31Å; D269-R273 PolarHBondContact O-N 3.46Å; D269-R273 IonicContact OD1-CZ 2.83Å; D269-R273 IonicContact OD1-NE 3.33Å; D269-R273 PolarHBondContact OD1-NE 2.95Å; D269-R273 IonicContact OD1-NH2 3.52Å; D269-R273 PolarHBondContact OD1-NH2 3.41Å; D269-R273 IonicContact OD2-CZ 3.44Å; D269-R273 IonicContact OD2-NE 3.35Å; D269-R273 IonicContact OD2-NH1 2.6Å; D269-R273 PolarHBondContact OD2-NH1 3.25Å; D269-R273 IonicContact OD2-NH2 2.91Å; D269-R273 PolarHBondContact OD2-NH2 3.46Å; I270-R273 PolarHBondContact O-N 3.35Å; R271-R273 PolarHBondContact O-N 3.4Å; R273-N276 PolarHBondContact O-N 2.86Å; R273-K277 WeakPolarHBondContact O-CB 3.44Å; R273-K277 PolarHBondContact O-N 3.43Å
274G97.2Very high97.9Very high12 Ų1272.9 Ų72.912%0.12436%0.362CS..Hα-helixtrans-61.9-49.5178.700000112.2I270 R271 N276 K277 V278I270-G274 PolarHBondContact O-N 2.75Å; R271-G274 PolarHBondContact O-N 3.02Å; G274-N276 VanDerWaalsContact C-N 3.33Å; G274-N276 PolarHBondContact O-N 2.91Å; G274-K277 WeakPolarHBondContact O-CB 3.4Å; G274-K277 PolarHBondContact O-N 3.39Å; G274-V278 WeakPolarHBondContact O-CG2 3.48Å; G274-V278 PolarHBondContact O-N 2.77Å; G274-V278 VanDerWaalsContact O-N 3.08Å
275K97.3Very high98Very high85 Ų8576.7 Ų76.737%0.3738%0.376SS..Hα-helixtrans-61.5-39.1174.5-64.9-62-162.5-161.10111.6V243 N244 L245 R271 V278 A279V243-K275 WeakPolarHBondContact O-CD 3.28Å; V243-K275 WeakPolarHBondContact O-CE 3.44Å; V243-K275 PolarHBondContact O-NZ 3.29Å; N244-K275 PolarHBondContact O-NZ 2.91Å; L245-K275 PolarHBondContact O-NZ 2.91Å; R271-K275 HydrophobicContact CG-CG 4.35Å; R271-K275 WeakPolarHBondContact O-CG 3.33Å; R271-K275 PolarHBondContact O-N 2.92Å; K275-V278 PolarHBondContact O-N 3.36Å; K275-A279 WeakPolarHBondContact O-CB 3.44Å; K275-A279 PolarHBondContact O-N 3Å
276N98.3Very high98Very high113 Ų11382.4 Ų82.460%0.60439%0.386SS*.Hα-helixtrans-64.3-42.4175.4-178-84.9000112.7R272 R273 G274 V278 A279 A280R272-N276 VanDerWaalsContact O-CB 3.25Å; R272-N276 WeakPolarHBondContact O-CB 3.41Å; R272-N276 PolarHBondContact O-N 3.26Å; R273-N276 PolarHBondContact O-N 2.86Å; G274-N276 VanDerWaalsContact C-N 3.33Å; G274-N276 PolarHBondContact O-N 2.91Å; N276-V278 VanDerWaalsContact C-N 3.35Å; N276-V278 PolarHBondContact O-N 3.17Å; N276-A279 PolarHBondContact O-N 3.06Å; N276-A280 WeakPolarHBondContact O-CB 3.34Å; N276-A280 PolarHBondContact O-N 3.4Å
277K97.1Very high98.1Very high138 Ų13887.6 Ų87.660%0.641%0.408SS*.Hα-helixtrans-56.6-47.9173.5179.7-172.4172.9-170.70111.2R273 G274 A280 Q281R273-K277 WeakPolarHBondContact O-CB 3.44Å; R273-K277 PolarHBondContact O-N 3.43Å; G274-K277 WeakPolarHBondContact O-CB 3.4Å; G274-K277 PolarHBondContact O-N 3.39Å; K277-A280 PolarHBondContact O-N 2.94Å; K277-Q281 WeakPolarHBondContact O-CG 3.49Å; K277-Q281 PolarHBondContact O-N 2.69Å
278V97Very high98.1Very high59 Ų5993 Ų9336%0.35844%0.436SS..Hα-helixtrans-65.4-41.6177.5175.10000111.4G274 K275 N276 A280 Q281 N282G274-V278 WeakPolarHBondContact O-CG2 3.48Å; G274-V278 PolarHBondContact O-N 2.77Å; G274-V278 VanDerWaalsContact O-N 3.08Å; K275-V278 PolarHBondContact O-N 3.36Å; N276-V278 VanDerWaalsContact C-N 3.35Å; N276-V278 PolarHBondContact O-N 3.17Å; V278-A280 PolarHBondContact O-N 3.22Å; V278-Q281 PolarHBondContact O-N 3.18Å; V278-N282 WeakPolarHBondContact O-CB 3.28Å; V278-N282 PolarHBondContact O-N 3.48Å
279A98.2Very high98.2Very high55 Ų5590.7 Ų90.746%0.45543%0.432SS..Hα-helixtrans-61.9-42176.200000112.2K275 N276 N282 C283K275-A279 WeakPolarHBondContact O-CB 3.44Å; K275-A279 PolarHBondContact O-N 3Å; N276-A279 PolarHBondContact O-N 3.06Å; A279-N282 PolarHBondContact O-N 2.94Å; A279-C283 VanDerWaalsContact O-CB 3.28Å; A279-C283 WeakPolarHBondContact O-CB 3.36Å; A279-C283 PolarHBondContact O-N 2.89Å
280A98.7Very high98.2Very high39 Ų3992.4 Ų92.432%0.32244%0.443SS..Hα-helixtrans-66-38.5175.200000112.4N276 K277 V278 R284N276-A280 WeakPolarHBondContact O-CB 3.34Å; N276-A280 PolarHBondContact O-N 3.4Å; K277-A280 PolarHBondContact O-N 2.94Å; V278-A280 PolarHBondContact O-N 3.22Å; A280-R284 VanDerWaalsContact O-CG 3.28Å; A280-R284 WeakPolarHBondContact O-CG 3.35Å; A280-R284 PolarHBondContact O-N 2.96Å; A280-R284 VanDerWaalsContact O-N 3.08Å
281Q98.4Very high98.3Very high106 Ų10695.2 Ų95.250%0.49546%0.458SS..Hα-helixtrans-64.1-46.3172.8-73.3176.5-63.800111.5K277 V278 C283 R284 K285K277-Q281 WeakPolarHBondContact O-CG 3.49Å; K277-Q281 PolarHBondContact O-N 2.69Å; V278-Q281 PolarHBondContact O-N 3.18Å; Q281-C283 PolarHBondContact O-N 3.25Å; Q281-R284 PolarHBondContact O-N 3.36Å; Q281-K285 WeakPolarHBondContact O-CB 3.42Å; Q281-K285 PolarHBondContact O-N 3.44Å
282N98.6Very high98.3Very high80 Ų8096 Ų9643%0.42847%0.467SS..Hα-helixtrans-66.3-36.4178.5-72.5-10.7000112.6V278 A279 K285 R286V278-N282 WeakPolarHBondContact O-CB 3.28Å; V278-N282 PolarHBondContact O-N 3.48Å; A279-N282 PolarHBondContact O-N 2.94Å; N282-K285 PolarHBondContact O-N 3.47Å; N282-R286 WeakPolarHBondContact O-CB 3.4Å; N282-R286 VanDerWaalsContact O-CG 3.31Å; N282-R286 WeakPolarHBondContact O-CG 3.35Å; N282-R286 PolarHBondContact O-N 3.44Å
283C98.7Very high98.3Very high87 Ų8792 Ų9259%0.58846%0.456SS*.Hα-helixtrans-63.3-48.2173.9-177.60000111.4A279 Q281 R286 K287A279-C283 VanDerWaalsContact O-CB 3.28Å; A279-C283 WeakPolarHBondContact O-CB 3.36Å; A279-C283 PolarHBondContact O-N 2.89Å; Q281-C283 PolarHBondContact O-N 3.25Å; C283-R286 PolarHBondContact O-N 3.29Å; C283-K287 WeakPolarHBondContact O-CB 3.31Å; C283-K287 PolarHBondContact O-N 2.94Å
284R98.8Very high98.4Very high186 Ų18693 Ų9370%0.70247%0.466SS*.Hα-helixtrans-61.5-44.3175.1-70.6170.3-176.3-174.30112A280 Q281 K287 L288A280-R284 VanDerWaalsContact O-CG 3.28Å; A280-R284 WeakPolarHBondContact O-CG 3.35Å; A280-R284 PolarHBondContact O-N 2.96Å; A280-R284 VanDerWaalsContact O-N 3.08Å; Q281-R284 PolarHBondContact O-N 3.36Å; R284-K287 PolarHBondContact O-N 2.97Å; R284-L288 WeakPolarHBondContact O-CG 3.46Å; R284-L288 PolarHBondContact O-N 3Å
285K98.6Very high98.5Very high118 Ų11897.7 Ų97.751%0.51348%0.484SS..Hα-helixtrans-57.1-55.3176.1178.5179.8164.6176.30110.6Q281 N282 K287 L288 E289Q281-K285 WeakPolarHBondContact O-CB 3.42Å; Q281-K285 PolarHBondContact O-N 3.44Å; N282-K285 PolarHBondContact O-N 3.47Å; K285-K287 VanDerWaalsContact C-N 3.33Å; K285-K287 PolarHBondContact O-N 2.92Å; K285-L288 PolarHBondContact O-N 2.96Å; K285-L288 VanDerWaalsContact O-N 3.14Å; K285-E289 WeakPolarHBondContact CE-OE1 3.27Å; K285-E289 WeakPolarHBondContact CE-OE2 3.33Å; K285-E289 HydrophobicContact CG-CG 4.37Å; K285-E289 IonicContact NZ-OE1 3.54Å; K285-E289 PolarHBondContact NZ-OE1 3.25Å; K285-E289 WeakPolarHBondContact O-CG 3.48Å; K285-E289 PolarHBondContact O-N 3.41Å
286R98.9Very high98.5Very high175 Ų175100.4 Ų100.466%0.6649%0.492SS*.Hα-helixtrans-56.1-44.4177.7-74.3175.4-178.3178.6-1.2112.3N282 C283 L288 E289 T290N282-R286 WeakPolarHBondContact O-CB 3.4Å; N282-R286 VanDerWaalsContact O-CG 3.31Å; N282-R286 WeakPolarHBondContact O-CG 3.35Å; N282-R286 PolarHBondContact O-N 3.44Å; C283-R286 PolarHBondContact O-N 3.29Å; R286-L288 VanDerWaalsContact C-N 3.32Å; R286-L288 PolarHBondContact O-N 2.96Å; R286-E289 PolarHBondContact O-N 2.87Å; R286-T290 PolarHBondContact O-N 3.37Å; R286-T290 PolarHBondContact O-OG1 2.73Å
287K98.8Very high98.6Very high130 Ų13098.6 Ų98.657%0.56548%0.48SS*.Hα-helixtrans-62.8-37.6179.5-177.757.1179.1174.10112.4C283 R284 K285 I291C283-K287 WeakPolarHBondContact O-CB 3.31Å; C283-K287 PolarHBondContact O-N 2.94Å; R284-K287 PolarHBondContact O-N 2.97Å; K285-K287 VanDerWaalsContact C-N 3.33Å; K285-K287 PolarHBondContact O-N 2.92Å; K287-I291 HydrophobicContact CD-CD1 4.5Å; K287-I291 HydrophobicContact CG-CD1 4.32Å; K287-I291 WeakPolarHBondContact O-CD1 3.3Å; K287-I291 VanDerWaalsContact O-CG1 3.27Å; K287-I291 WeakPolarHBondContact O-CG1 3.29Å; K287-I291 PolarHBondContact O-N 3.43Å; K287-I291 VanDerWaalsContact O-N 3.12Å
288L98.8Very high98.6Very high112 Ų11297.8 Ų97.859%0.58648%0.482SS*.Hα-helixtrans-70.2-41.3173.4-68.5169.7000111.9R284 K285 R286 T290 I291 V292R284-L288 WeakPolarHBondContact O-CG 3.46Å; R284-L288 PolarHBondContact O-N 3Å; K285-L288 PolarHBondContact O-N 2.96Å; K285-L288 VanDerWaalsContact O-N 3.14Å; R286-L288 VanDerWaalsContact C-N 3.32Å; R286-L288 PolarHBondContact O-N 2.96Å; L288-T290 VanDerWaalsContact C-N 3.32Å; L288-T290 PolarHBondContact O-N 3.1Å; L288-I291 PolarHBondContact O-N 3.26Å; L288-V292 WeakPolarHBondContact O-CG2 3.46Å; L288-V292 PolarHBondContact O-N 2.89Å
289E98.8Very high98.7Very high96 Ų96101 Ų10145%0.44949%0.493SS..Hα-helixtrans-60.2-40.8174.6-70.6171140.300111.7K285 R286 Q293K285-E289 WeakPolarHBondContact CE-OE1 3.27Å; K285-E289 WeakPolarHBondContact CE-OE2 3.33Å; K285-E289 HydrophobicContact CG-CG 4.37Å; K285-E289 IonicContact NZ-OE1 3.54Å; K285-E289 PolarHBondContact NZ-OE1 3.25Å; K285-E289 WeakPolarHBondContact O-CG 3.48Å; K285-E289 PolarHBondContact O-N 3.41Å; R286-E289 PolarHBondContact O-N 2.87Å; E289-Q293 WeakPolarHBondContact O-CB 3.45Å; E289-Q293 PolarHBondContact O-N 2.94Å
290T98.8Very high98.7Very high71 Ų71105.7 Ų105.744%0.43650%0.499SS..Hα-helixtrans-64.5-41173.2-54.40000112.5R286 L288 Q293 L294R286-T290 PolarHBondContact O-N 3.37Å; R286-T290 PolarHBondContact O-OG1 2.73Å; L288-T290 VanDerWaalsContact C-N 3.32Å; L288-T290 PolarHBondContact O-N 3.1Å; T290-Q293 PolarHBondContact O-N 3.47Å; T290-L294 HydrophobicContact CG2-CD1 4Å; T290-L294 HydrophobicContact CG2-CG 4.46Å; T290-L294 VanDerWaalsContact O-CG 3.29Å; T290-L294 WeakPolarHBondContact O-CG 3.33Å; T290-L294 PolarHBondContact O-N 3.2Å
291I98.8Very high98.8Very high62 Ų62108.4 Ų108.432%0.31851%0.507SS..Hα-helixtrans-61.9-51.6177-72162.2000110.1K287 L288 Q293 L294 E295K287-I291 HydrophobicContact CD-CD1 4.5Å; K287-I291 HydrophobicContact CG-CD1 4.32Å; K287-I291 WeakPolarHBondContact O-CD1 3.3Å; K287-I291 VanDerWaalsContact O-CG1 3.27Å; K287-I291 WeakPolarHBondContact O-CG1 3.29Å; K287-I291 PolarHBondContact O-N 3.43Å; K287-I291 VanDerWaalsContact O-N 3.12Å; L288-I291 PolarHBondContact O-N 3.26Å; I291-Q293 PolarHBondContact O-N 3.49Å; I291-L294 PolarHBondContact O-N 3.09Å; I291-L294 VanDerWaalsContact O-N 3.13Å; I291-E295 HydrophobicContact CG2-CG 4.42Å; I291-E295 WeakPolarHBondContact CG2-OE1 3.47Å; I291-E295 WeakPolarHBondContact O-CG 3.42Å; I291-E295 PolarHBondContact O-N 3.03Å
292V98.8Very high98.8Very high61 Ų61106.7 Ų106.737%0.3751%0.507SS..Hα-helixtrans-63.1-30.6179.6174.90000112.3L288 E295 R296L288-V292 WeakPolarHBondContact O-CG2 3.46Å; L288-V292 PolarHBondContact O-N 2.89Å; V292-E295 WeakPolarHBondContact CA-OE2 3.49Å; V292-R296 WeakPolarHBondContact O-CG 3.31Å; V292-R296 PolarHBondContact O-N 3.36Å
293Q98.8Very high98.8Very high80 Ų80107.1 Ų107.137%0.37451%0.51SS..Hα-helixtrans-70.5-44.4173.7-176.857.522.600112.2E289 T290 I291 E295 R296 E297E289-Q293 WeakPolarHBondContact O-CB 3.45Å; E289-Q293 PolarHBondContact O-N 2.94Å; T290-Q293 PolarHBondContact O-N 3.47Å; I291-Q293 PolarHBondContact O-N 3.49Å; Q293-E295 VanDerWaalsContact C-N 3.33Å; Q293-E295 PolarHBondContact O-N 3.48Å; Q293-R296 PolarHBondContact O-N 2.92Å; Q293-E297 WeakPolarHBondContact CG-OE1 3.41Å; Q293-E297 PolarHBondContact NE2-OE1 3.41Å; Q293-E297 WeakPolarHBondContact O-CG 3.26Å; Q293-E297 PolarHBondContact O-N 3.43Å
294L98.8Very high98.8Very high88 Ų88106.3 Ų106.346%0.46150%0.497SS..Hα-helixtrans-64.3-36.3176.2-70.3167.5000112.1T290 I291 R296 E297 L298T290-L294 HydrophobicContact CG2-CD1 4Å; T290-L294 HydrophobicContact CG2-CG 4.46Å; T290-L294 VanDerWaalsContact O-CG 3.29Å; T290-L294 WeakPolarHBondContact O-CG 3.33Å; T290-L294 PolarHBondContact O-N 3.2Å; I291-L294 PolarHBondContact O-N 3.09Å; I291-L294 VanDerWaalsContact O-N 3.13Å; L294-R296 PolarHBondContact O-N 2.9Å; L294-E297 PolarHBondContact O-N 3.45Å; L294-L298 WeakPolarHBondContact O-CB 3.38Å; L294-L298 VanDerWaalsContact O-CG 3.31Å; L294-L298 WeakPolarHBondContact O-CG 3.23Å; L294-L298 PolarHBondContact O-N 3.36Å
295E98.8Very high98.8Very high111 Ų111105.7 Ų105.752%0.51950%0.495SS..Hα-helixtrans-58.9-45.8174.4-73.6166.717000111.6I291 V292 Q293 L298 E299I291-E295 HydrophobicContact CG2-CG 4.42Å; I291-E295 WeakPolarHBondContact CG2-OE1 3.47Å; I291-E295 WeakPolarHBondContact O-CG 3.42Å; I291-E295 PolarHBondContact O-N 3.03Å; V292-E295 WeakPolarHBondContact CA-OE2 3.49Å; Q293-E295 VanDerWaalsContact C-N 3.33Å; Q293-E295 PolarHBondContact O-N 3.48Å; E295-L298 PolarHBondContact O-N 3.02Å; E295-E299 PolarHBondContact O-N 3.02Å
296R98.8Very high98.8Very high141 Ų141104.5 Ų104.553%0.53249%0.491SS..Hα-helixtrans-65.2-37.4174.5-64.5167.5-169.8148.5-1112.9V292 Q293 L294 E299 R300V292-R296 WeakPolarHBondContact O-CG 3.31Å; V292-R296 PolarHBondContact O-N 3.36Å; Q293-R296 PolarHBondContact O-N 2.92Å; L294-R296 PolarHBondContact O-N 2.9Å; R296-E299 PolarHBondContact O-N 3.01Å; R296-R300 WeakPolarHBondContact O-CB 3.45Å; R296-R300 PolarHBondContact O-N 2.99Å
297E98.8Very high98.8Very high76 Ų76102 Ų10236%0.35548%0.482SS..Hα-helixtrans-69.4-39.3179.5-75.9171-161.200111.4Q293 L294 R300 L301Q293-E297 WeakPolarHBondContact CG-OE1 3.41Å; Q293-E297 PolarHBondContact NE2-OE1 3.41Å; Q293-E297 WeakPolarHBondContact O-CG 3.26Å; Q293-E297 PolarHBondContact O-N 3.43Å; L294-E297 PolarHBondContact O-N 3.45Å; E297-R300 PolarHBondContact O-N 3.26Å; E297-L301 WeakPolarHBondContact O-CB 3.41Å; E297-L301 VanDerWaalsContact O-CG 3.23Å; E297-L301 WeakPolarHBondContact O-CG 3.27Å; E297-L301 PolarHBondContact O-N 3.46Å
298L98.9Very high98.8Very high121 Ų121100.1 Ų100.163%0.63448%0.477SS*.Hα-helixtrans-62.8-44.8170.9-72.1169.8000111.8L294 E295 L301 S302L294-L298 WeakPolarHBondContact O-CB 3.38Å; L294-L298 VanDerWaalsContact O-CG 3.31Å; L294-L298 WeakPolarHBondContact O-CG 3.23Å; L294-L298 PolarHBondContact O-N 3.36Å; E295-L298 PolarHBondContact O-N 3.02Å; L298-L301 PolarHBondContact O-N 2.96Å; L298-S302 VanDerWaalsContact O-CB 3.3Å; L298-S302 WeakPolarHBondContact O-CB 3.23Å; L298-S302 PolarHBondContact O-N 3.39Å
299E98.8Very high98.8Very high125 Ų12599.1 Ų99.158%0.58447%0.472SS*.Hα-helixtrans-60.2-47.6175.1-178.6175.4-143.400111.5E295 R296 L301 S302 N303E295-E299 PolarHBondContact O-N 3.02Å; R296-E299 PolarHBondContact O-N 3.01Å; E299-L301 PolarHBondContact O-N 3.5Å; E299-S302 PolarHBondContact O-N 3.34Å; E299-N303 WeakPolarHBondContact O-CB 3.44Å; E299-N303 VanDerWaalsContact O-CG 3.22Å; E299-N303 PolarHBondContact O-N 3.37Å; E299-N303 PolarHBondContact O-ND2 2.87Å
300R98.8Very high98.8Very high154 Ų154100.5 Ų100.558%0.58147%0.473SS*.Hα-helixtrans-58.5-45.9176.6-172.6-172.870.284.4-0.5112R296 E297 E304R296-R300 WeakPolarHBondContact O-CB 3.45Å; R296-R300 PolarHBondContact O-N 2.99Å; E297-R300 PolarHBondContact O-N 3.26Å; R300-E304 WeakPolarHBondContact O-CB 3.34Å; R300-E304 PolarHBondContact O-N 2.67Å
301L98.9Very high98.8Very high96 Ų9699.1 Ų99.150%0.50347%0.469SS..Hα-helixtrans-69.1-35.2179-71.1170000112.2E297 L298 E299 R305E297-L301 WeakPolarHBondContact O-CB 3.41Å; E297-L301 VanDerWaalsContact O-CG 3.23Å; E297-L301 WeakPolarHBondContact O-CG 3.27Å; E297-L301 PolarHBondContact O-N 3.46Å; L298-L301 PolarHBondContact O-N 2.96Å; E299-L301 PolarHBondContact O-N 3.5Å; L301-R305 VanDerWaalsContact O-CB 3.26Å; L301-R305 WeakPolarHBondContact O-CB 3.47Å; L301-R305 PolarHBondContact O-N 2.99Å
302S98.8Very high98.8Very high71 Ų71103.1 Ų103.150%0.49748%0.48SS..Hα-helixtrans-63.8-48.4173.7-171.30000111.5L298 E299 E304 R305 E306L298-S302 VanDerWaalsContact O-CB 3.3Å; L298-S302 WeakPolarHBondContact O-CB 3.23Å; L298-S302 PolarHBondContact O-N 3.39Å; E299-S302 PolarHBondContact O-N 3.34Å; S302-E304 PolarHBondContact O-N 3.43Å; S302-R305 PolarHBondContact O-N 3.44Å; S302-E306 PolarHBondContact O-N 3.06Å
303N98.8Very high98.8Very high89 Ų89101 Ų10148%0.47647%0.47SS..Hα-helixtrans-63.5-39.9179.2-68.5-20.9000112E299 E306 R307E299-N303 WeakPolarHBondContact O-CB 3.44Å; E299-N303 VanDerWaalsContact O-CG 3.22Å; E299-N303 PolarHBondContact O-N 3.37Å; E299-N303 PolarHBondContact O-ND2 2.87Å; N303-E306 PolarHBondContact O-N 3.16Å; N303-R307 WeakPolarHBondContact O-CB 3.43Å; N303-R307 PolarHBondContact O-N 2.9Å
304E98.8Very high98.8Very high69 Ų69102.2 Ų102.232%0.32248%0.476SS..Hα-helixtrans-68.7-41.4175.4179.657.1-165.900112.1R300 S302 E306 R307 L308R300-E304 WeakPolarHBondContact O-CB 3.34Å; R300-E304 PolarHBondContact O-N 2.67Å; S302-E304 PolarHBondContact O-N 3.43Å; E304-E306 VanDerWaalsContact C-N 3.3Å; E304-E306 PolarHBondContact O-N 2.98Å; E304-R307 WeakPolarHBondContact O-CB 3.37Å; E304-R307 PolarHBondContact O-N 2.74Å; E304-R307 IonicContact OE1-CZ 2.75Å; E304-R307 IonicContact OE1-NE 3.44Å; E304-R307 PolarHBondContact OE1-NE 3.45Å; E304-R307 IonicContact OE1-NH2 2.83Å; E304-R307 PolarHBondContact OE1-NH2 3.42Å; E304-R307 IonicContact OE2-CZ 3.84Å; E304-R307 IonicContact OE2-NE 3.62Å; E304-R307 PolarHBondContact OE2-NE 3.32Å; E304-R307 IonicContact OE2-NH2 2.84Å; E304-L308 HydrophobicContact CG-CD1 4.16Å; E304-L308 WeakPolarHBondContact O-CG 3.48Å; E304-L308 PolarHBondContact O-N 2.99Å
305R98.8Very high98.8Very high173 Ų173100.3 Ų100.365%0.65347%0.473SS*.Hα-helixtrans-58.5-42.7172.2177.4177.6177.8-105.10.8111.4L301 S302 L308 L309L301-R305 VanDerWaalsContact O-CB 3.26Å; L301-R305 WeakPolarHBondContact O-CB 3.47Å; L301-R305 PolarHBondContact O-N 2.99Å; S302-R305 PolarHBondContact O-N 3.44Å; R305-L308 PolarHBondContact O-N 3.43Å; R305-L309 HydrophobicContact CG-CD1 4.07Å; R305-L309 WeakPolarHBondContact O-CB 3.42Å; R305-L309 VanDerWaalsContact O-CG 3.27Å; R305-L309 WeakPolarHBondContact O-CG 3.42Å; R305-L309 PolarHBondContact O-N 3.39Å
306E98.8Very high98.8Very high93 Ų9398.3 Ų98.344%0.43547%0.466SS..Hα-helixtrans-66.7-42.1177.4-150-144.3135.700111.6S302 N303 E304 L308 L309 R310S302-E306 PolarHBondContact O-N 3.06Å; N303-E306 PolarHBondContact O-N 3.16Å; E304-E306 VanDerWaalsContact C-N 3.3Å; E304-E306 PolarHBondContact O-N 2.98Å; E306-L308 PolarHBondContact O-N 3.28Å; E306-L309 PolarHBondContact O-N 3.02Å; E306-R310 WeakPolarHBondContact O-CG 3.34Å; E306-R310 PolarHBondContact O-N 3.31Å; E306-R310 IonicContact OE1-CZ 3.44Å; E306-R310 IonicContact OE1-NE 3.64Å; E306-R310 PolarHBondContact OE1-NE 2.79Å; E306-R310 IonicContact OE1-NH2 3.19Å; E306-R310 PolarHBondContact OE1-NH2 3.47Å; E306-R310 IonicContact OE2-CZ 3.66Å; E306-R310 IonicContact OE2-NH2 2.76Å; E306-R310 PolarHBondContact OE2-NH2 2.95Å
307R98.8Very high98.7Very high123 Ų12399.2 Ų99.246%0.46447%0.469SS..Hα-helixtrans-56.5-47.6174.1-170.1-169.473.182.8-0.2111.7N303 E304 R310 A311N303-R307 WeakPolarHBondContact O-CB 3.43Å; N303-R307 PolarHBondContact O-N 2.9Å; E304-R307 WeakPolarHBondContact O-CB 3.37Å; E304-R307 PolarHBondContact O-N 2.74Å; E304-R307 IonicContact OE1-CZ 2.75Å; E304-R307 IonicContact OE1-NE 3.44Å; E304-R307 PolarHBondContact OE1-NE 3.45Å; E304-R307 IonicContact OE1-NH2 2.83Å; E304-R307 PolarHBondContact OE1-NH2 3.42Å; E304-R307 IonicContact OE2-CZ 3.84Å; E304-R307 IonicContact OE2-NE 3.62Å; E304-R307 PolarHBondContact OE2-NE 3.32Å; E304-R307 IonicContact OE2-NH2 2.84Å; R307-R310 PolarHBondContact O-N 2.71Å; R307-A311 PolarHBondContact O-N 3.3Å
308L98.8Very high98.7Very high91 Ų9199.1 Ų99.148%0.47647%0.474SS..Hα-helixtrans-66.1-37.9178.4-69.3170.3000112.2E304 R305 E306 A311 R312E304-L308 HydrophobicContact CG-CD1 4.16Å; E304-L308 WeakPolarHBondContact O-CG 3.48Å; E304-L308 PolarHBondContact O-N 2.99Å; R305-L308 PolarHBondContact O-N 3.43Å; E306-L308 PolarHBondContact O-N 3.28Å; L308-A311 PolarHBondContact O-N 3Å; L308-R312 VanDerWaalsContact O-CB 3.31Å; L308-R312 WeakPolarHBondContact O-CB 3.43Å; L308-R312 PolarHBondContact O-N 3.44Å
309L98.8Very high98.7Very high91 Ų9197.9 Ų97.948%0.47647%0.468SS..Hα-helixtrans-65.7-38.8174.5-74.5169.8000112.4R305 E306 G313R305-L309 HydrophobicContact CG-CD1 4.07Å; R305-L309 WeakPolarHBondContact O-CB 3.42Å; R305-L309 VanDerWaalsContact O-CG 3.27Å; R305-L309 WeakPolarHBondContact O-CG 3.42Å; R305-L309 PolarHBondContact O-N 3.39Å; E306-L309 PolarHBondContact O-N 3.02Å; L309-G313 PolarHBondContact O-N 3.27Å
310R98.8Very high98.7Very high124 Ų12495.9 Ų95.947%0.46846%0.458SS..Hα-helixtrans-64-50173.5-68.7-171.7-126.9117.2-6.8111.4E306 R307 R312 G313 E314E306-R310 WeakPolarHBondContact O-CG 3.34Å; E306-R310 PolarHBondContact O-N 3.31Å; E306-R310 IonicContact OE1-CZ 3.44Å; E306-R310 IonicContact OE1-NE 3.64Å; E306-R310 PolarHBondContact OE1-NE 2.79Å; E306-R310 IonicContact OE1-NH2 3.19Å; E306-R310 PolarHBondContact OE1-NH2 3.47Å; E306-R310 IonicContact OE2-CZ 3.66Å; E306-R310 IonicContact OE2-NH2 2.76Å; E306-R310 PolarHBondContact OE2-NH2 2.95Å; R307-R310 PolarHBondContact O-N 2.71Å; R310-R312 VanDerWaalsContact C-N 3.35Å; R310-R312 PolarHBondContact O-N 3.2Å; R310-G313 CarbonylContact O-C 3.58Å; R310-G313 WeakPolarHBondContact O-CA 3.42Å; R310-G313 PolarHBondContact O-N 3.35Å; R310-E314 PolarHBondContact O-N 3.05Å
311A98.6Very high98.7Very high42 Ų4292.1 Ų92.135%0.34745%0.452SS..Hα-helixtrans-59.9-41.4177.800000112.6R307 L308 G313 E314 A315R307-A311 PolarHBondContact O-N 3.3Å; L308-A311 PolarHBondContact O-N 3Å; A311-G313 VanDerWaalsContact C-N 3.34Å; A311-G313 PolarHBondContact O-N 3.45Å; A311-E314 PolarHBondContact O-N 2.91Å; A311-A315 PolarHBondContact O-N 3.07Å
312R98.7Very high98.6Very high146 Ų14692.9 Ų92.955%0.55145%0.454SS*.Hα-helixtrans-60.2-43.4172.7-171.6-168163.1-62.8-26.8111.5L308 R310 E314 A315 D316L308-R312 VanDerWaalsContact O-CB 3.31Å; L308-R312 WeakPolarHBondContact O-CB 3.43Å; L308-R312 PolarHBondContact O-N 3.44Å; R310-R312 VanDerWaalsContact C-N 3.35Å; R310-R312 PolarHBondContact O-N 3.2Å; R312-E314 VanDerWaalsContact C-N 3.28Å; R312-E314 PolarHBondContact O-N 3.47Å; R312-A315 PolarHBondContact O-N 3.36Å; R312-D316 IonicContact CZ-OD1 3.71Å; R312-D316 IonicContact CZ-OD2 3.12Å; R312-D316 IonicContact NH1-OD1 3.95Å; R312-D316 IonicContact NH1-OD2 2.67Å; R312-D316 PolarHBondContact NH1-OD2 3.43Å; R312-D316 IonicContact NH2-OD1 3.16Å; R312-D316 PolarHBondContact NH2-OD1 3.12Å; R312-D316 VanDerWaalsContact NH2-OD1 3.16Å; R312-D316 IonicContact NH2-OD2 2.87Å; R312-D316 PolarHBondContact NH2-OD2 3.15Å; R312-D316 WeakPolarHBondContact O-CB 3.23Å; R312-D316 PolarHBondContact O-N 3.25Å
313G98.6Very high98.6Very high16 Ų1696.9 Ų96.917%0.16546%0.459CS..Hα-helixtrans-66.7-25.8176.400000114.1L309 R310 A311 R317L309-G313 PolarHBondContact O-N 3.27Å; R310-G313 CarbonylContact O-C 3.58Å; R310-G313 WeakPolarHBondContact O-CA 3.42Å; R310-G313 PolarHBondContact O-N 3.35Å; A311-G313 VanDerWaalsContact C-N 3.34Å; A311-G313 PolarHBondContact O-N 3.45Å; G313-R317 WeakPolarHBondContact O-CD 3.5Å; G313-R317 VanDerWaalsContact O-CG 3.23Å; G313-R317 WeakPolarHBondContact O-CG 3.26Å; G313-R317 PolarHBondContact O-N 3.09Å; G313-R317 PolarHBondContact O-NE 3.23Å
314E98.7Very high98.5Very high106 Ų10697.4 Ų97.450%0.49546%0.458SS..Hα-helixtrans-78.4-40.1173.1-72.7157.5-165.600111.7R310 A311 R312 R317 T318R310-E314 PolarHBondContact O-N 3.05Å; A311-E314 PolarHBondContact O-N 2.91Å; R312-E314 VanDerWaalsContact C-N 3.28Å; R312-E314 PolarHBondContact O-N 3.47Å; E314-R317 PolarHBondContact O-N 3.25Å; E314-T318 WeakPolarHBondContact O-CB 3.44Å; E314-T318 PolarHBondContact O-N 2.83Å; E314-T318 PolarHBondContact O-OG1 3.39Å
315A98.5Very high98.4Very high49 Ų4999.7 Ų99.741%0.40547%0.469SS..Hα-helixtrans-61.9-4717100000112.2A311 R312 R317 T318 L319A311-A315 PolarHBondContact O-N 3.07Å; R312-A315 PolarHBondContact O-N 3.36Å; A315-R317 VanDerWaalsContact C-N 3.34Å; A315-R317 PolarHBondContact O-N 3.01Å; A315-T318 PolarHBondContact O-N 2.88Å; A315-T318 VanDerWaalsContact O-N 3.09Å; A315-L319 WeakPolarHBondContact O-CG 3.46Å; A315-L319 PolarHBondContact O-N 3.48Å
316D98.6Very high98.2Very high68 Ų6896.8 Ų96.836%0.36447%0.466SS..Hα-helixtrans-55.1-46.6176.4-78.8-5.1000111.5R312 T318 E320R312-D316 IonicContact CZ-OD1 3.71Å; R312-D316 IonicContact CZ-OD2 3.12Å; R312-D316 IonicContact NH1-OD1 3.95Å; R312-D316 IonicContact NH1-OD2 2.67Å; R312-D316 PolarHBondContact NH1-OD2 3.43Å; R312-D316 IonicContact NH2-OD1 3.16Å; R312-D316 PolarHBondContact NH2-OD1 3.12Å; R312-D316 VanDerWaalsContact NH2-OD1 3.16Å; R312-D316 IonicContact NH2-OD2 2.87Å; R312-D316 PolarHBondContact NH2-OD2 3.15Å; R312-D316 WeakPolarHBondContact O-CB 3.23Å; R312-D316 PolarHBondContact O-N 3.25Å; D316-T318 PolarHBondContact O-N 3.1Å; D316-E320 WeakPolarHBondContact O-CB 3.5Å; D316-E320 PolarHBondContact O-N 3.32Å
317R98.6Very high98Very high160 Ų16096.9 Ų96.960%0.60447%0.473SS*.Hα-helixtrans-62.9-40175.9-70.6169.9-153.9135.45.9112.4G313 E314 A315 E320 V321G313-R317 WeakPolarHBondContact O-CD 3.5Å; G313-R317 VanDerWaalsContact O-CG 3.23Å; G313-R317 WeakPolarHBondContact O-CG 3.26Å; G313-R317 PolarHBondContact O-N 3.09Å; G313-R317 PolarHBondContact O-NE 3.23Å; E314-R317 PolarHBondContact O-N 3.25Å; A315-R317 VanDerWaalsContact C-N 3.34Å; A315-R317 PolarHBondContact O-N 3.01Å; R317-E320 PolarHBondContact O-N 2.94Å; R317-V321 WeakPolarHBondContact O-CG2 3.32Å; R317-V321 PolarHBondContact O-N 2.87Å
318T98.4Very high97.8Very high75 Ų7596.1 Ų96.146%0.4648%0.475SS..Hα-helixtrans-68.7-43.7-177.4-56.30000110.8E314 A315 D316 E320 V321 M322E314-T318 WeakPolarHBondContact O-CB 3.44Å; E314-T318 PolarHBondContact O-N 2.83Å; E314-T318 PolarHBondContact O-OG1 3.39Å; A315-T318 PolarHBondContact O-N 2.88Å; A315-T318 VanDerWaalsContact O-N 3.09Å; D316-T318 PolarHBondContact O-N 3.1Å; T318-E320 VanDerWaalsContact C-N 3.3Å; T318-E320 PolarHBondContact O-N 3.48Å; T318-V321 PolarHBondContact O-N 3.48Å; T318-M322 HydrophobicContact CG2-CE 3.99Å; T318-M322 HydrophobicContact CG2-SD 4.36Å; T318-M322 WeakPolarHBondContact O-CG 3.33Å; T318-M322 PolarHBondContact O-N 2.85Å
319L98.6Very high97.6Very high94 Ų9496.7 Ų96.749%0.49248%0.478SS..Hα-helixtrans-60.1-39.5172.3-71.9170.5000112A315 M322 R323A315-L319 WeakPolarHBondContact O-CG 3.46Å; A315-L319 PolarHBondContact O-N 3.48Å; L319-M322 PolarHBondContact O-N 2.96Å; L319-R323 WeakPolarHBondContact O-CB 3.39Å; L319-R323 VanDerWaalsContact O-CG 3.23Å; L319-R323 WeakPolarHBondContact O-CG 3.44Å; L319-R323 PolarHBondContact O-N 3Å
320E98.5Very high97.2Very high84 Ų8495.3 Ų95.339%0.39347%0.467SS..Hα-helixtrans-68.6-41.6178.7-17350.9-146.300112.4D316 R317 T318 R323 Q324D316-E320 WeakPolarHBondContact O-CB 3.5Å; D316-E320 PolarHBondContact O-N 3.32Å; R317-E320 PolarHBondContact O-N 2.94Å; T318-E320 VanDerWaalsContact C-N 3.3Å; T318-E320 PolarHBondContact O-N 3.48Å; E320-R323 PolarHBondContact O-N 2.92Å; E320-R323 IonicContact OE2-NH1 3.81Å; E320-Q324 VanDerWaalsContact O-CG 3.32Å; E320-Q324 WeakPolarHBondContact O-CG 3.35Å; E320-Q324 PolarHBondContact O-N 3.14Å; E320-Q324 PolarHBondContact OE1-NE2 3.36Å
321V98.3Very high96.9Very high75 Ų7595.1 Ų95.146%0.45547%0.466SS..Hα-helixtrans-61.7-44.1171.9171.60000111.4R317 T318 R323 Q324 Q325R317-V321 WeakPolarHBondContact O-CG2 3.32Å; R317-V321 PolarHBondContact O-N 2.87Å; T318-V321 PolarHBondContact O-N 3.48Å; V321-R323 VanDerWaalsContact C-N 3.35Å; V321-R323 PolarHBondContact O-N 2.91Å; V321-Q324 PolarHBondContact O-N 2.71Å; V321-Q325 HydrophobicContact CG1-CG 4.5Å; V321-Q325 WeakPolarHBondContact O-CG 3.38Å; V321-Q325 PolarHBondContact O-N 3.4Å
322M98.1Very high96.6Very high111 Ų11196 Ų9655%0.54746%0.464SS..Hα-helixtrans-63.6-37.8177.2-72.8177173.600112.4T318 L319 L326T318-M322 HydrophobicContact CG2-CE 3.99Å; T318-M322 HydrophobicContact CG2-SD 4.36Å; T318-M322 WeakPolarHBondContact O-CG 3.33Å; T318-M322 PolarHBondContact O-N 2.85Å; L319-M322 PolarHBondContact O-N 2.96Å; M322-L326 VanDerWaalsContact O-CB 3.32Å; M322-L326 WeakPolarHBondContact O-CB 3.45Å; M322-L326 PolarHBondContact O-N 3.32Å
323R97.1Very high96.3Very high156 Ų15691.6 Ų91.659%0.58945%0.452SS*.Hα-helixtrans-64.2-41173.7-77.5167.1173.3-178.9-2112.4L319 E320 V321 L326 T327L319-R323 WeakPolarHBondContact O-CB 3.39Å; L319-R323 VanDerWaalsContact O-CG 3.23Å; L319-R323 WeakPolarHBondContact O-CG 3.44Å; L319-R323 PolarHBondContact O-N 3Å; E320-R323 PolarHBondContact O-N 2.92Å; E320-R323 IonicContact OE2-NH1 3.81Å; V321-R323 VanDerWaalsContact C-N 3.35Å; V321-R323 PolarHBondContact O-N 2.91Å; R323-L326 PolarHBondContact O-N 2.66Å; R323-T327 WeakPolarHBondContact O-CB 3.19Å; R323-T327 PolarHBondContact O-N 3.16Å; R323-T327 PolarHBondContact O-OG1 3.32Å
324Q97.9Very high96Very high100 Ų10091.2 Ų91.247%0.46745%0.445SS..Hα-helixtrans-64.7-48.8177-70.8168.418.400110.3E320 V321 L326 T327 E328E320-Q324 VanDerWaalsContact O-CG 3.32Å; E320-Q324 WeakPolarHBondContact O-CG 3.35Å; E320-Q324 PolarHBondContact O-N 3.14Å; E320-Q324 PolarHBondContact OE1-NE2 3.36Å; V321-Q324 PolarHBondContact O-N 2.71Å; Q324-L326 PolarHBondContact O-N 3.09Å; Q324-T327 WeakPolarHBondContact O-CB 3.32Å; Q324-T327 PolarHBondContact O-N 2.88Å; Q324-T327 VanDerWaalsContact O-N 3.1Å; Q324-E328 WeakPolarHBondContact O-CG 3.48Å; Q324-E328 PolarHBondContact O-N 2.65Å
325Q97.3Very high95.5Very high116 Ų11691 Ų9154%0.54245%0.445SS..Hα-helixtrans-57.8-43.4175-71.8174.5-22.200112.9V321 T327 E328 L329V321-Q325 HydrophobicContact CG1-CG 4.5Å; V321-Q325 WeakPolarHBondContact O-CG 3.38Å; V321-Q325 PolarHBondContact O-N 3.4Å; Q325-T327 VanDerWaalsContact C-N 3.35Å; Q325-E328 PolarHBondContact O-N 3.18Å; Q325-L329 WeakPolarHBondContact O-CB 3.36Å; Q325-L329 PolarHBondContact O-N 2.77Å
326L94.6Very high95Very high113 Ų11395.8 Ų95.859%0.59246%0.458SS*.Hα-helixtrans-63.9-39.7175.4-179.662.7000111.8M322 R323 Q324 Y330M322-L326 VanDerWaalsContact O-CB 3.32Å; M322-L326 WeakPolarHBondContact O-CB 3.45Å; M322-L326 PolarHBondContact O-N 3.32Å; R323-L326 PolarHBondContact O-N 2.66Å; Q324-L326 PolarHBondContact O-N 3.09Å; L326-Y330 WeakPolarHBondContact O-CB 3.46Å; L326-Y330 PolarHBondContact O-N 3.02Å
327T93.7Very high94.6Very high95 Ų9595 Ų9558%0.58345%0.453SS*.Hα-helixtrans-68.2-40.8178.9-56.70000111.6R323 Q324 Q325 R331R323-T327 WeakPolarHBondContact O-CB 3.19Å; R323-T327 PolarHBondContact O-N 3.16Å; R323-T327 PolarHBondContact O-OG1 3.32Å; Q324-T327 WeakPolarHBondContact O-CB 3.32Å; Q324-T327 PolarHBondContact O-N 2.88Å; Q324-T327 VanDerWaalsContact O-N 3.1Å; Q325-T327 VanDerWaalsContact C-N 3.35Å; T327-R331 WeakPolarHBondContact O-CB 3.36Å; T327-R331 PolarHBondContact O-N 3.38Å
328E95.6Very high94.2Very high106 Ų10692.9 Ų92.950%0.49545%0.446SS..Hα-helixtrans-64.1-49173.8-70.1-177.5145.700111.3Q324 Q325 Y330 R331 D332Q324-E328 WeakPolarHBondContact O-CG 3.48Å; Q324-E328 PolarHBondContact O-N 2.65Å; Q325-E328 PolarHBondContact O-N 3.18Å; E328-Y330 VanDerWaalsContact C-N 3.34Å; E328-Y330 PolarHBondContact O-N 3.28Å; E328-R331 PolarHBondContact O-N 3.35Å; E328-D332 WeakPolarHBondContact O-CB 3.35Å; E328-D332 VanDerWaalsContact O-CG 3.22Å; E328-D332 PolarHBondContact O-N 3.34Å
329L93Very high93.6Very high103 Ų10391.6 Ų91.654%0.53944%0.436SS..Hα-helixtrans-60.6-42.3177.1-179.862000112Q325 D332 I333Q325-L329 WeakPolarHBondContact O-CB 3.36Å; Q325-L329 PolarHBondContact O-N 2.77Å; L329-D332 PolarHBondContact O-N 2.88Å; L329-I333 HydrophobicContact CD1-CD1 3.93Å; L329-I333 HydrophobicContact CD1-CG1 4.17Å; L329-I333 HydrophobicContact CG-CD1 3.85Å; L329-I333 HydrophobicContact CG-CG1 4.49Å; L329-I333 WeakPolarHBondContact O-CB 3.32Å; L329-I333 VanDerWaalsContact O-CG1 3.25Å; L329-I333 WeakPolarHBondContact O-CG1 3.25Å; L329-I333 PolarHBondContact O-N 3.06Å
330Y91.8Very high93Very high63 Ų6396.7 Ų96.725%0.24746%0.457CS..Hα-helixtrans-61.3-50.9176.7-171-86.9000110.8L326 E328 D332 I333 F334 P347 Y350 A351 L352L326-Y330 WeakPolarHBondContact O-CB 3.46Å; L326-Y330 PolarHBondContact O-N 3.02Å; E328-Y330 VanDerWaalsContact C-N 3.34Å; E328-Y330 PolarHBondContact O-N 3.28Å; Y330-D332 VanDerWaalsContact C-N 3.3Å; Y330-D332 PolarHBondContact O-N 3.31Å; Y330-I333 PolarHBondContact O-N 3.31Å; Y330-F334 AromaticContact CD1-CD2 3.84Å; Y330-F334 HydrophobicContact CD1-CD2 3.84Å; Y330-F334 HydrophobicContact CD1-CE2 4.07Å; Y330-F334 HydrophobicContact CD2-CE2 4.26Å; Y330-F334 AromaticContact CE1-CD2 3.66Å; Y330-F334 HydrophobicContact CE1-CD2 3.66Å; Y330-F334 AromaticContact CE1-CE2 3.52Å; Y330-F334 HydrophobicContact CE1-CE2 3.52Å; Y330-F334 HydrophobicContact CE1-CZ 4.41Å; Y330-F334 HydrophobicContact CE2-CD2 4.44Å; Y330-F334 AromaticContact CE2-CE2 3.75Å; Y330-F334 HydrophobicContact CE2-CE2 3.75Å; Y330-F334 HydrophobicContact CG-CD2 4.31Å; Y330-F334 HydrophobicContact CG-CE2 4.41Å; Y330-F334 AromaticContact CZ-CD2 3.98Å; Y330-F334 AromaticContact CZ-CE2 3.34Å; Y330-F334 WeakPolarHBondContact O-CD2 3.48Å; Y330-F334 PolarHBondContact O-N 3.44Å; Y330-P347 HydrophobicContact CD1-CB 4.46Å; Y330-P347 HydrophobicContact CE1-CB 3.66Å; Y330-Y350 PolarHBondContact OH-O 2.8Å; Y330-A351 WeakPolarHBondContact OH-CA 3.38Å; Y330-L352 HydrophobicContact CD2-CD1 4.19Å; Y330-L352 HydrophobicContact CE2-CB 4.27Å; Y330-L352 HydrophobicContact CE2-CD1 4.36Å; Y330-L352 HydrophobicContact CE2-CG 4.45Å
331R91Very high92.3Very high120 Ų12097.4 Ų97.445%0.45347%0.471SS..Hα-helixtrans-54.1-47.6174.4-178.5-161.568.8-147.9-7.7111.3T327 E328 F334 Q335T327-R331 WeakPolarHBondContact O-CB 3.36Å; T327-R331 PolarHBondContact O-N 3.38Å; E328-R331 PolarHBondContact O-N 3.35Å; R331-F334 PolarHBondContact O-N 2.9Å; R331-Q335 WeakPolarHBondContact O-CG 3.37Å; R331-Q335 PolarHBondContact O-N 3.36Å
332D92.9Very high91.6Very high59 Ų5996.2 Ų96.232%0.31647%0.474SS..Hα-helixtrans-73.3-31.7-173.1-68.5-0.9000112.1E328 L329 Y330 H336E328-D332 WeakPolarHBondContact O-CB 3.35Å; E328-D332 VanDerWaalsContact O-CG 3.22Å; E328-D332 PolarHBondContact O-N 3.34Å; L329-D332 PolarHBondContact O-N 2.88Å; Y330-D332 VanDerWaalsContact C-N 3.3Å; Y330-D332 PolarHBondContact O-N 3.31Å; D332-H336 PolarHBondContact O-N 2.9Å; D332-H336 PolarHBondContact O-ND1 3.25Å
333I92.9Very high91Very high55 Ų5595.5 Ų95.528%0.28247%0.473SS..Hα-helixtrans-64.2-49.7169.1-69165.1000110.2L329 Y330 Q335 H336 L337 L352L329-I333 HydrophobicContact CD1-CD1 3.93Å; L329-I333 HydrophobicContact CD1-CG1 4.17Å; L329-I333 HydrophobicContact CG-CD1 3.85Å; L329-I333 HydrophobicContact CG-CG1 4.49Å; L329-I333 WeakPolarHBondContact O-CB 3.32Å; L329-I333 VanDerWaalsContact O-CG1 3.25Å; L329-I333 WeakPolarHBondContact O-CG1 3.25Å; L329-I333 PolarHBondContact O-N 3.06Å; Y330-I333 PolarHBondContact O-N 3.31Å; I333-Q335 VanDerWaalsContact C-N 3.28Å; I333-Q335 PolarHBondContact O-N 2.99Å; I333-H336 PolarHBondContact O-N 2.91Å; I333-L337 HydrophobicContact CG2-CD1 3.69Å; I333-L337 HydrophobicContact CG2-CG 3.85Å; I333-L337 WeakPolarHBondContact O-CG 3.25Å; I333-L337 PolarHBondContact O-N 3.42Å; I333-L352 HydrophobicContact CB-CD1 4.18Å; I333-L352 HydrophobicContact CD1-CD1 4.13Å; I333-L352 HydrophobicContact CG2-CD1 3.69Å
334F91.4Very high90.5Very high7 Ų791.7 Ų91.73%0.03147%0.47CS..Hα-helixtrans-62.5-32.6178.5-87.4-86.4000113.1Y330 R331 H336 S346 P347 Y350 L352 L362Y330-F334 AromaticContact CD1-CD2 3.84Å; Y330-F334 HydrophobicContact CD1-CD2 3.84Å; Y330-F334 HydrophobicContact CD1-CE2 4.07Å; Y330-F334 HydrophobicContact CD2-CE2 4.26Å; Y330-F334 AromaticContact CE1-CD2 3.66Å; Y330-F334 HydrophobicContact CE1-CD2 3.66Å; Y330-F334 AromaticContact CE1-CE2 3.52Å; Y330-F334 HydrophobicContact CE1-CE2 3.52Å; Y330-F334 HydrophobicContact CE1-CZ 4.41Å; Y330-F334 HydrophobicContact CE2-CD2 4.44Å; Y330-F334 AromaticContact CE2-CE2 3.75Å; Y330-F334 HydrophobicContact CE2-CE2 3.75Å; Y330-F334 HydrophobicContact CG-CD2 4.31Å; Y330-F334 HydrophobicContact CG-CE2 4.41Å; Y330-F334 AromaticContact CZ-CD2 3.98Å; Y330-F334 AromaticContact CZ-CE2 3.34Å; Y330-F334 WeakPolarHBondContact O-CD2 3.48Å; Y330-F334 PolarHBondContact O-N 3.44Å; R331-F334 PolarHBondContact O-N 2.9Å; F334-H336 PolarHBondContact O-N 2.86Å; F334-S346 WeakPolarHBondContact CE1-O 3.48Å; F334-P347 HydrophobicContact CB-CB 4.42Å; F334-P347 HydrophobicContact CB-CG 4.47Å; F334-P347 HydrophobicContact CD1-CB 3.95Å; F334-P347 HydrophobicContact CD1-CG 4.45Å; F334-P347 HydrophobicContact CD2-CB 4.08Å; F334-P347 HydrophobicContact CE1-CB 4.22Å; F334-P347 HydrophobicContact CE2-CB 4.35Å; F334-P347 HydrophobicContact CG-CB 3.87Å; F334-P347 HydrophobicContact CG-CG 4.39Å; F334-P347 HydrophobicContact CZ-CB 4.41Å; F334-Y350 VanDerWaalsContact CZ-O 3.28Å; F334-Y350 WeakPolarHBondContact CZ-O 3.16Å; F334-L352 HydrophobicContact CD2-CD1 4.24Å; F334-L352 HydrophobicContact CE2-CD1 3.79Å; F334-L352 HydrophobicContact CE2-CG 3.74Å; F334-L352 HydrophobicContact CZ-CG 4.21Å; F334-L362 HydrophobicContact CE1-CD1 3.95Å; F334-L362 HydrophobicContact CZ-CD1 3.68Å
335Q88.8Confident89.9Confident103 Ų10390 Ų9048%0.48146%0.46SS..Hα-helixtrans-61.5-24.8171.1-76.9178.51700113.7R331 I333 R338R331-Q335 WeakPolarHBondContact O-CG 3.37Å; R331-Q335 PolarHBondContact O-N 3.36Å; I333-Q335 VanDerWaalsContact C-N 3.28Å; I333-Q335 PolarHBondContact O-N 2.99Å; Q335-R338 VanDerWaalsContact O-CZ 3.27Å; Q335-R338 PolarHBondContact O-NH1 3.31Å; Q335-R338 PolarHBondContact O-NH2 2.8Å
336H88.4Confident89.4Confident148 Ų14885.8 Ų85.869%0.68544%0.443SS*.Hα-helixtrans-106.6-21.7-177.7-67.888.5000114.5D332 I333 F334 R338D332-H336 PolarHBondContact O-N 2.9Å; D332-H336 PolarHBondContact O-ND1 3.25Å; I333-H336 PolarHBondContact O-N 2.91Å; F334-H336 PolarHBondContact O-N 2.86Å; H336-R338 PolarHBondContact O-N 2.86Å
337L90.5Very high88.9Confident51 Ų5182.2 Ų82.227%0.26743%0.427SS..  trans-64.4130.1176.1-75.7175.4000111.8I333 Y345 L352 L362I333-L337 HydrophobicContact CG2-CD1 3.69Å; I333-L337 HydrophobicContact CG2-CG 3.85Å; I333-L337 WeakPolarHBondContact O-CG 3.25Å; I333-L337 PolarHBondContact O-N 3.42Å; L337-Y345 HydrophobicContact CB-CD2 3.94Å; L337-L352 HydrophobicContact CD1-CD2 4.24Å; L337-L362 HydrophobicContact CD1-CD1 4.11Å; L337-L362 HydrophobicContact CD1-CD2 4.43Å
338R89.3Confident88.5Confident117 Ų11784.4 Ų84.444%0.44243%0.43SS..BIsolated β-bridgetrans-131.1146.6176.9-61.1-64.5176.7-85.1-3.2111.3Q335 H336 N343 S344 Y345Q335-R338 VanDerWaalsContact O-CZ 3.27Å; Q335-R338 PolarHBondContact O-NH1 3.31Å; Q335-R338 PolarHBondContact O-NH2 2.8Å; H336-R338 PolarHBondContact O-N 2.86Å; R338-N343 CarbonylContact C-O 3.55Å; R338-N343 WeakPolarHBondContact CA-O 3.44Å; R338-N343 VanDerWaalsContact CD-O 3.24Å; R338-N343 WeakPolarHBondContact CD-O 3.43Å; R338-S344 PolarHBondContact NE-OG 3.36Å; R338-S344 PolarHBondContact NH1-OG 3.41Å; R338-Y345 VanDerWaalsContact C-CE2 3.43Å; R338-Y345 WeakPolarHBondContact O-CE2 3.44Å
339D85.5Confident88.1Confident47 Ų4784.8 Ų84.825%0.25143%0.432SS..  trans-79173.5172.375.74.1000112S341 G342 N343 Y345D339-S341 PolarHBondContact O-N 2.81Å; D339-S341 VanDerWaalsContact OD1-C 3.23Å; D339-S341 VanDerWaalsContact OD1-CA 3.26Å; D339-S341 WeakPolarHBondContact OD1-CA 3.48Å; D339-S341 WeakPolarHBondContact OD1-CB 3.28Å; D339-S341 PolarHBondContact OD1-N 3.33Å; D339-G342 PolarHBondContact O-N 3.25Å; D339-G342 PolarHBondContact OD1-N 2.95Å; D339-N343 PolarHBondContact N-O 3.47Å; D339-N343 PolarHBondContact OD1-N 3.32Å; D339-N343 PolarHBondContact OD1-ND2 3.34Å; D339-N343 WeakPolarHBondContact OD2-CB 3.43Å; D339-N343 PolarHBondContact OD2-ND2 2.73Å; D339-Y345 HydrophobicContact CB-CE1 4.41Å; D339-Y345 HydrophobicContact CB-CE2 3.93Å
340E85.9Confident87.8Confident201 Ų20183.1 Ų83.194%0.93942%0.419SS*.THydrogen-bonded Turntrans-59.6-12.2176.3-63-68.7137.800113.9
341S84.3Confident87.8Confident100 Ų10081.3 Ų81.370%0.69942%0.417SS*.THydrogen-bonded Turntrans-103.4-1.9176.6-60.40000113.4D339D339-S341 PolarHBondContact O-N 2.81Å; D339-S341 VanDerWaalsContact OD1-C 3.23Å; D339-S341 VanDerWaalsContact OD1-CA 3.26Å; D339-S341 WeakPolarHBondContact OD1-CA 3.48Å; D339-S341 WeakPolarHBondContact OD1-CB 3.28Å; D339-S341 PolarHBondContact OD1-N 3.33Å
342G83.3Confident87.8Confident50 Ų5077.7 Ų77.752%0.51541%0.407SS..SBendtrans85.36.7-178.400000115.7D339D339-G342 PolarHBondContact O-N 3.25Å; D339-G342 PolarHBondContact OD1-N 2.95Å
343N85.2Confident87.7Confident95 Ų9580.6 Ų80.651%0.50842%0.418SS..PPolyproline II helixtrans-74.8158.1174-50.7-64.4000110.7R338 D339R338-N343 CarbonylContact C-O 3.55Å; R338-N343 WeakPolarHBondContact CA-O 3.44Å; R338-N343 VanDerWaalsContact CD-O 3.24Å; R338-N343 WeakPolarHBondContact CD-O 3.43Å; D339-N343 PolarHBondContact N-O 3.47Å; D339-N343 PolarHBondContact OD1-N 3.32Å; D339-N343 PolarHBondContact OD1-ND2 3.34Å; D339-N343 WeakPolarHBondContact OD2-CB 3.43Å; D339-N343 PolarHBondContact OD2-ND2 2.73Å
344S86.4Confident87.5Confident77 Ų7784.5 Ų84.554%0.53844%0.435SS..BIsolated β-bridgetrans-90.6137.2175.8-52.90000111R338R338-S344 PolarHBondContact NE-OG 3.36Å; R338-S344 PolarHBondContact NH1-OG 3.41Å
345Y86.9Confident87.5Confident65 Ų6586 Ų8626%0.25545%0.449SS..PPolyproline II helixtrans-72.6138.7173.7-74.1-80.5000111.3L337 R338 D339 Y350 L362L337-Y345 HydrophobicContact CB-CD2 3.94Å; R338-Y345 VanDerWaalsContact C-CE2 3.43Å; R338-Y345 WeakPolarHBondContact O-CE2 3.44Å; D339-Y345 HydrophobicContact CB-CE1 4.41Å; D339-Y345 HydrophobicContact CB-CE2 3.93Å; Y345-Y350 HydrophobicContact CD1-CD1 4.17Å; Y345-Y350 AromaticContact CD1-CD2 3.81Å; Y345-Y350 HydrophobicContact CD1-CD2 3.81Å; Y345-Y350 HydrophobicContact CD1-CE1 4.13Å; Y345-Y350 AromaticContact CD1-CE2 3.81Å; Y345-Y350 HydrophobicContact CD1-CE2 3.81Å; Y345-Y350 HydrophobicContact CD1-CG 4.02Å; Y345-Y350 AromaticContact CD1-CZ 3.97Å; Y345-Y350 HydrophobicContact CE1-CD1 4.4Å; Y345-Y350 HydrophobicContact CE1-CE1 4.05Å; Y345-Y350 HydrophobicContact CE1-CE2 4.36Å; Y345-L362 HydrophobicContact CD1-CD2 3.67Å; Y345-L362 HydrophobicContact CD2-CD2 3.88Å; Y345-L362 HydrophobicContact CE1-CD2 3.77Å; Y345-L362 HydrophobicContact CE2-CD2 3.93Å; Y345-L362 HydrophobicContact CG-CD2 3.72Å
346S85.4Confident87.6Confident27 Ų2786.8 Ų86.819%0.18947%0.473CS..PPolyproline II helixtrans-84.7132.7174.2153.80000111.1F334 E348 E349 Y350F334-S346 WeakPolarHBondContact CE1-O 3.48Å; S346-E348 PolarHBondContact O-N 2.84Å; S346-E348 WeakPolarHBondContact OG-CB 3.39Å; S346-E348 PolarHBondContact OG-N 2.81Å; S346-E348 PolarHBondContact OG-OE2 2.77Å; S346-E349 PolarHBondContact O-N 3.11Å; S346-E349 PolarHBondContact OG-N 3.23Å; S346-Y350 PolarHBondContact O-N 2.6Å
347P84.5Confident87.7Confident38 Ų3885.3 Ų85.325%0.24747%0.47CS..THydrogen-bonded Turntrans-71.1-12.6170.325.9-30.3000114Y330 F334 Y350 R365Y330-P347 HydrophobicContact CD1-CB 4.46Å; Y330-P347 HydrophobicContact CE1-CB 3.66Å; F334-P347 HydrophobicContact CB-CB 4.42Å; F334-P347 HydrophobicContact CB-CG 4.47Å; F334-P347 HydrophobicContact CD1-CB 3.95Å; F334-P347 HydrophobicContact CD1-CG 4.45Å; F334-P347 HydrophobicContact CD2-CB 4.08Å; F334-P347 HydrophobicContact CE1-CB 4.22Å; F334-P347 HydrophobicContact CE2-CB 4.35Å; F334-P347 HydrophobicContact CG-CB 3.87Å; F334-P347 HydrophobicContact CG-CG 4.39Å; F334-P347 HydrophobicContact CZ-CB 4.41Å; P347-Y350 CarbonylContact C-O 3.47Å; P347-Y350 VanDerWaalsContact O-O 3.12Å; P347-R365 WeakPolarHBondContact O-CD 3.29Å; P347-R365 PolarHBondContact O-NH1 2.84Å
348E85.1Confident87.6Confident141 Ų14184.6 Ų84.666%0.65948%0.475SS*.THydrogen-bonded Turntrans-80.6-36.2171.8-57.769.5-149.900111.6S346 R365S346-E348 PolarHBondContact O-N 2.84Å; S346-E348 WeakPolarHBondContact OG-CB 3.39Å; S346-E348 PolarHBondContact OG-N 2.81Å; S346-E348 PolarHBondContact OG-OE2 2.77Å; E348-R365 WeakPolarHBondContact O-CD 3.24Å
349E86.6Confident87.7Confident114 Ų11481.8 Ų81.853%0.53347%0.471SS..THydrogen-bonded Turntrans-90.5-24.7179.2-67.7179.2-176.700113.8S346 P364 R365S346-E349 PolarHBondContact O-N 3.11Å; S346-E349 PolarHBondContact OG-N 3.23Å; E349-P364 CarbonylContact O-C 3.6Å; E349-P364 WeakPolarHBondContact O-CA 3.26Å; E349-R365 PolarHBondContact O-N 3.28Å
350Y88.5Confident87.9Confident67 Ų6784.4 Ų84.426%0.26348%0.484SS..EExtended strand (participates in β ladder)trans-133.4150.9-176.8-59.2-100.3000111.7Y330 F334 Y345 S346 P347 L362 V363 P364Y330-Y350 PolarHBondContact OH-O 2.8Å; F334-Y350 VanDerWaalsContact CZ-O 3.28Å; F334-Y350 WeakPolarHBondContact CZ-O 3.16Å; Y345-Y350 HydrophobicContact CD1-CD1 4.17Å; Y345-Y350 AromaticContact CD1-CD2 3.81Å; Y345-Y350 HydrophobicContact CD1-CD2 3.81Å; Y345-Y350 HydrophobicContact CD1-CE1 4.13Å; Y345-Y350 AromaticContact CD1-CE2 3.81Å; Y345-Y350 HydrophobicContact CD1-CE2 3.81Å; Y345-Y350 HydrophobicContact CD1-CG 4.02Å; Y345-Y350 AromaticContact CD1-CZ 3.97Å; Y345-Y350 HydrophobicContact CE1-CD1 4.4Å; Y345-Y350 HydrophobicContact CE1-CE1 4.05Å; Y345-Y350 HydrophobicContact CE1-CE2 4.36Å; S346-Y350 PolarHBondContact O-N 2.6Å; P347-Y350 CarbonylContact C-O 3.47Å; P347-Y350 VanDerWaalsContact O-O 3.12Å; Y350-L362 HydrophobicContact CD1-CD2 4.32Å; Y350-L362 HydrophobicContact CD1-CG 4.2Å; Y350-L362 HydrophobicContact CG-CG 4.46Å; Y350-V363 CarbonylContact C-O 3.58Å; Y350-V363 WeakPolarHBondContact CA-O 3.37Å; Y350-P364 HydrophobicContact CD1-CB 4.34Å; Y350-P364 HydrophobicContact CD1-CG 4.15Å; Y350-P364 HydrophobicContact CE1-CB 4.32Å; Y350-P364 HydrophobicContact CE1-CG 3.96Å
351A91.5Very high88.1Confident25 Ų2580.1 Ų80.121%0.20746%0.463CS..EExtended strand (participates in β ladder)trans-130.4148.8176.900000111.4Y330 V363 R365Y330-A351 WeakPolarHBondContact OH-CA 3.38Å; A351-V363 PolarHBondContact N-O 2.85Å; A351-V363 PolarHBondContact O-N 2.97Å; A351-R365 HydrophobicContact CB-CG 3.68Å
352L90.9Very high88.4Confident45 Ų4578.1 Ų78.124%0.23644%0.444CS..EExtended strand (participates in β ladder)trans-87.2125.6171.6-64.8166.2000109Y330 I333 F334 L337 I360 F361 L362Y330-L352 HydrophobicContact CD2-CD1 4.19Å; Y330-L352 HydrophobicContact CE2-CB 4.27Å; Y330-L352 HydrophobicContact CE2-CD1 4.36Å; Y330-L352 HydrophobicContact CE2-CG 4.45Å; I333-L352 HydrophobicContact CB-CD1 4.18Å; I333-L352 HydrophobicContact CD1-CD1 4.13Å; I333-L352 HydrophobicContact CG2-CD1 3.69Å; F334-L352 HydrophobicContact CD2-CD1 4.24Å; F334-L352 HydrophobicContact CE2-CD1 3.79Å; F334-L352 HydrophobicContact CE2-CG 3.74Å; F334-L352 HydrophobicContact CZ-CG 4.21Å; L337-L352 HydrophobicContact CD1-CD2 4.24Å; L352-I360 HydrophobicContact CB-CG2 4.05Å; L352-I360 HydrophobicContact CD2-CG2 3.86Å; L352-I360 HydrophobicContact CG-CG2 4.46Å; L352-F361 WeakPolarHBondContact CA-O 3.39Å; L352-L362 HydrophobicContact CD2-CD1 3.84Å; L352-L362 HydrophobicContact CG-CD1 4.39Å
353Q89.8Confident88.8Confident119 Ų11978.2 Ų78.256%0.55643%0.434SS*.EExtended strand (participates in β ladder)trans-120.5125.8177.2-172.5170.812.400109.9F361 V363Q353-F361 PolarHBondContact N-O 2.98Å; Q353-F361 PolarHBondContact O-N 2.77Å; Q353-V363 HydrophobicContact CB-CG2 4.04Å
354Q89.9Confident89Confident137 Ų13778 Ų7864%0.6444%0.438SS*.EExtended strand (participates in β ladder)trans-88.1132.2173.8-166.2175.133.200110.1G358 T359 I360Q354-G358 PolarHBondContact NE2-O 3.39Å; Q354-T359 WeakPolarHBondContact CA-O 3.46Å; Q354-I360 HydrophobicContact CG-CG1 4.41Å
355A91Very high88.9Confident39 Ų3980.5 Ų80.532%0.32244%0.436SS..  trans-88.9167.5171.500000111.5D357 G358 T359 F361A355-D357 VanDerWaalsContact CB-OD1 3.25Å; A355-D357 WeakPolarHBondContact CB-OD1 3.46Å; A355-D357 PolarHBondContact O-N 2.93Å; A355-D357 VanDerWaalsContact O-N 3.14Å; A355-G358 PolarHBondContact O-N 3.07Å; A355-T359 PolarHBondContact N-O 3.41Å; A355-F361 HydrophobicContact CB-CD2 4.2Å; A355-F361 HydrophobicContact CB-CE2 3.78Å
356A90Very high88.2Confident119 Ų11981 Ų8198%0.98346%0.461SS*.THydrogen-bonded Turntrans-68.1-11-173.500000114.8
357D91.6Very high86.9Confident117 Ų11785.1 Ų85.163%0.62649%0.485SS*.THydrogen-bonded Turntrans-88.1-4.7170.766.7-22.4000113.1A355 T359A355-D357 VanDerWaalsContact CB-OD1 3.25Å; A355-D357 WeakPolarHBondContact CB-OD1 3.46Å; A355-D357 PolarHBondContact O-N 2.93Å; A355-D357 VanDerWaalsContact O-N 3.14Å; D357-T359 VanDerWaalsContact CG-OG1 3.23Å; D357-T359 VanDerWaalsContact OD1-CB 3.32Å; D357-T359 WeakPolarHBondContact OD1-CB 3.5Å; D357-T359 PolarHBondContact OD1-N 3.01Å; D357-T359 PolarHBondContact OD1-OG1 3.02Å; D357-T359 WeakPolarHBondContact OD2-CB 3.45Å; D357-T359 PolarHBondContact OD2-OG1 3.39Å
358G88.3Confident85.4Confident36 Ų3693.4 Ų93.437%0.37152%0.517SS..SBendtrans91.8-7.6-174.600000114.8Q354 A355Q354-G358 PolarHBondContact NE2-O 3.39Å; A355-G358 PolarHBondContact O-N 3.07Å
359T91.5Very high83.5Confident59 Ų5994.8 Ų94.836%0.36253%0.526SS..  trans-68135.2-178.6-600000110.9Q354 A355 D357 F361Q354-T359 WeakPolarHBondContact CA-O 3.46Å; A355-T359 PolarHBondContact N-O 3.41Å; D357-T359 VanDerWaalsContact CG-OG1 3.23Å; D357-T359 VanDerWaalsContact OD1-CB 3.32Å; D357-T359 WeakPolarHBondContact OD1-CB 3.5Å; D357-T359 PolarHBondContact OD1-N 3.01Å; D357-T359 PolarHBondContact OD1-OG1 3.02Å; D357-T359 WeakPolarHBondContact OD2-CB 3.45Å; D357-T359 PolarHBondContact OD2-OG1 3.39Å; T359-F361 HydrophobicContact CG2-CD2 4.23Å; T359-F361 HydrophobicContact CG2-CE1 4.25Å; T359-F361 HydrophobicContact CG2-CE2 3.54Å; T359-F361 HydrophobicContact CG2-CZ 3.55Å
360I89.5Confident81.6Confident102 Ų10297.6 Ų97.652%0.52354%0.539SS..EExtended strand (participates in β ladder)trans-101.3126.7-179.7-57.9174.7000109.8L352 Q354L352-I360 HydrophobicContact CB-CG2 4.05Å; L352-I360 HydrophobicContact CD2-CG2 3.86Å; L352-I360 HydrophobicContact CG-CG2 4.46Å; Q354-I360 HydrophobicContact CG-CG1 4.41Å
361F90.1Very high79.7Confident111 Ų11199.5 Ų99.549%0.48757%0.569SS.*EExtended strand (participates in β ladder)trans-112.9144176.8-63.4-87.8000110.8L352 Q353 A355 T359 V363L352-F361 WeakPolarHBondContact CA-O 3.39Å; Q353-F361 PolarHBondContact N-O 2.98Å; Q353-F361 PolarHBondContact O-N 2.77Å; A355-F361 HydrophobicContact CB-CD2 4.2Å; A355-F361 HydrophobicContact CB-CE2 3.78Å; T359-F361 HydrophobicContact CG2-CD2 4.23Å; T359-F361 HydrophobicContact CG2-CE1 4.25Å; T359-F361 HydrophobicContact CG2-CE2 3.54Å; T359-F361 HydrophobicContact CG2-CZ 3.55Å; F361-V363 HydrophobicContact CB-CG2 4.24Å
362L91.3Very high77.6Confident57 Ų57104 Ų10430%0.29859%0.593SS.*EExtended strand (participates in β ladder)trans-91.3119.9168.8-171.469.4000108.9F334 L337 Y345 Y350 L352F334-L362 HydrophobicContact CE1-CD1 3.95Å; F334-L362 HydrophobicContact CZ-CD1 3.68Å; L337-L362 HydrophobicContact CD1-CD1 4.11Å; L337-L362 HydrophobicContact CD1-CD2 4.43Å; Y345-L362 HydrophobicContact CD1-CD2 3.67Å; Y345-L362 HydrophobicContact CD2-CD2 3.88Å; Y345-L362 HydrophobicContact CE1-CD2 3.77Å; Y345-L362 HydrophobicContact CE2-CD2 3.93Å; Y345-L362 HydrophobicContact CG-CD2 3.72Å; Y350-L362 HydrophobicContact CD1-CD2 4.32Å; Y350-L362 HydrophobicContact CD1-CG 4.2Å; Y350-L362 HydrophobicContact CG-CG 4.46Å; L352-L362 HydrophobicContact CD2-CD1 3.84Å; L352-L362 HydrophobicContact CG-CD1 4.39Å
363V91.3Very high75Confident53 Ų53113.7 Ų113.732%0.32165%0.646SS.*EExtended strand (participates in β ladder)trans-123.7131.5-173-174.60000109.4Y350 A351 Q353 F361 R365Y350-V363 CarbonylContact C-O 3.58Å; Y350-V363 WeakPolarHBondContact CA-O 3.37Å; A351-V363 PolarHBondContact N-O 2.85Å; A351-V363 PolarHBondContact O-N 2.97Å; Q353-V363 HydrophobicContact CB-CG2 4.04Å; F361-V363 HydrophobicContact CB-CG2 4.24Å; V363-R365 PolarHBondContact O-N 3.32Å
364P89.4Confident74.3Confident90 Ų90113.5 Ų113.558%0.58465%0.65SS**EExtended strand (participates in β ladder)trans-59.3132.1173.8-22.533000111.5E349 Y350 G366E349-P364 CarbonylContact O-C 3.6Å; E349-P364 WeakPolarHBondContact O-CA 3.26Å; Y350-P364 HydrophobicContact CD1-CB 4.34Å; Y350-P364 HydrophobicContact CD1-CG 4.15Å; Y350-P364 HydrophobicContact CE1-CB 4.32Å; Y350-P364 HydrophobicContact CE1-CG 3.96Å; P364-G366 PolarHBondContact O-N 2.86Å
365R84Confident73.4Confident129 Ų129112.2 Ų112.249%0.48765%0.651SS.*  trans-74.7111.8169.5-59.4-179.195.2168.32106.6P347 E348 E349 A351 V363 T367P347-R365 WeakPolarHBondContact O-CD 3.29Å; P347-R365 PolarHBondContact O-NH1 2.84Å; E348-R365 WeakPolarHBondContact O-CD 3.24Å; E349-R365 PolarHBondContact O-N 3.28Å; A351-R365 HydrophobicContact CB-CG 3.68Å; V363-R365 PolarHBondContact O-N 3.32Å; R365-T367 PolarHBondContact O-N 3.21Å
366G73.1Confident72.5Confident76 Ų76116.3 Ų116.378%0.78467%0.669SS**  trans-53.6115.4-17900000110.8P364 K368P364-G366 PolarHBondContact O-N 2.86Å; G366-K368 PolarHBondContact O-N 3.04Å
367T56.8Low71.4Confident114 Ų114116.1 Ų116.170%0.69965%0.651SS**  trans-63.8120.5-176.642.40000109.8R365 M369R365-T367 PolarHBondContact O-N 3.21Å; T367-M369 PolarHBondContact O-N 3.19Å
368K53.1Low70.2Confident211 Ų211116.1 Ų116.192%0.91765%0.652SS**  trans-68.189.8157.2-82.4-170.3172.4-173.50107.2G366 E370G366-K368 PolarHBondContact O-N 3.04Å; K368-E370 PolarHBondContact O-N 3.33Å
369M45.6Very low69Low171 Ų171121.4 Ų121.484%0.84267%0.671SS**  trans-58.2116.3158.3-79.9174.9153.300107.5T367 A371T367-M369 PolarHBondContact O-N 3.19Å; M369-A371 PolarHBondContact O-N 2.91Å
370E47.4Very low67.3Low172 Ų172125.9 Ų125.980%0.80469%0.693SS**  trans-62.8122.8158.9-70.1-170.2116.100107.4K368 T372K368-E370 PolarHBondContact O-N 3.33Å; E370-T372 VanDerWaalsContact C-N 3.35Å; E370-T372 HydrophobicContact CB-CG2 4.39Å; E370-T372 PolarHBondContact O-N 3.08Å; E370-T372 VanDerWaalsContact O-N 3.08Å
371A48Very low65.6Low108 Ų108127.7 Ų127.789%0.89371%0.706SS**  trans-78.788.5172.200000108.5M369M369-A371 PolarHBondContact O-N 2.91Å
372T47Very low63.6Low118 Ų118129.1 Ų129.172%0.72472%0.724SS**  trans-91.5131.7171.553.40000110.8E370E370-T372 VanDerWaalsContact C-N 3.35Å; E370-T372 HydrophobicContact CB-CG2 4.39Å; E370-T372 PolarHBondContact O-N 3.08Å; E370-T372 VanDerWaalsContact O-N 3.08Å
373D36.3Very low61.1Low250 Ų250135.6 Ų135.6100%1.33776%0.763SS**  trans64.90-174.2-84.4-11.6000116.5

Retrieved 373 of 373 residues in 118.3 ms (Link to these results)