A0A093HAW2_STRCA Loading...

Forkhead box protein J1

AlphaFold DB , UniProt , Accession A0A093HAW2, Species STRCA (Struthio camelus australis), Gene n/a, Length 449 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.4Very low35.4Very low225 Ų225137.8 Ų137.8100%1.10880%0.796SS**  0101.90-172.2166.8179.100107
2L35.8Very low35.2Very low134 Ų134142 Ų14270%0.70281%0.807SS**  trans58.1137.3151.1-44.6177.3000118.6
3D29.4Very low35.4Very low142 Ų142135.8 Ų135.876%0.75978%0.784SS**  cis-171.3141-7-97.6-32.6000105.6
4L31.7Very low35.3Very low169 Ų169134.6 Ų134.689%0.88577%0.773SS**  trans-119.2132.6164.3-101.9149.1000106.9
5P42.4Very low35.2Very low118 Ų118130.2 Ų130.277%0.76677%0.769SS**  trans-79.4140.6-162.531-32.4000112.3L7P5-L7 PolarHBondContact O-N 3.29Å
6A38.1Very low35.5Very low95 Ų95132.7 Ų132.779%0.78576%0.761SS**  trans-54.5121.2172.300000112.2I8A6-I8 PolarHBondContact O-N 3.38Å
7L33.9Very low35.9Very low172 Ų172133.1 Ų133.190%0.90176%0.759SS**  trans-79.697.9162.8-103.4166.4000109.1P5 S9P5-L7 PolarHBondContact O-N 3.29Å; L7-S9 PolarHBondContact O-N 3.2Å
8I35.1Very low35.7Very low134 Ų134134.1 Ų134.169%0.68776%0.762SS**  trans2.1100.1151.6-58.1168.7000114.1A6 L10A6-I8 PolarHBondContact O-N 3.38Å; I8-L10 HydrophobicContact CG2-CB 4.36Å; I8-L10 HydrophobicContact CG2-CD1 4.41Å; I8-L10 PolarHBondContact O-N 3.41Å; I8-L10 VanDerWaalsContact O-N 3.16Å
9S38.4Very low35.7Very low115 Ų115133.9 Ų133.980%0.80476%0.758SS**  trans-55.5104.9149.6-1750000108.4L7L7-S9 PolarHBondContact O-N 3.2Å
10L34.5Very low36Very low163 Ų163138.9 Ų138.985%0.85376%0.764SS**  trans-104.694168.1-157.371.3000107.6I8I8-L10 HydrophobicContact CG2-CB 4.36Å; I8-L10 HydrophobicContact CG2-CD1 4.41Å; I8-L10 PolarHBondContact O-N 3.41Å; I8-L10 VanDerWaalsContact O-N 3.16Å
11G37.6Very low35.8Very low49 Ų49138 Ų13851%0.50577%0.768SS.*  trans-58.5135.6-175.500000113
12M33.7Very low35.8Very low188 Ų188136.4 Ų136.493%0.92676%0.757SS**  trans-168.927.4149.8-99.7178.197.400110.5
13A36.7Very low35.6Very low61 Ų61139.4 Ų139.450%0.50477%0.768SS.*SBendtrans-105.4-9.7178.900000113.7G15A13-G15 PolarHBondContact O-N 3.38Å
14D34Very low35.7Very low120 Ų120141.9 Ų141.964%0.64278%0.775SS**THydrogen-bonded Turntrans-84.4-10.4-168.9-55.5-43.3000114.3
15G34.1Very low35.7Very low68 Ų68145.6 Ų145.670%0.70178%0.777SS**THydrogen-bonded Turntrans-75.1-24.8178.500000114.4A13A13-G15 PolarHBondContact O-N 3.38Å
16W40Very low35.1Very low170 Ų170143.2 Ų143.264%0.64477%0.774SS**THydrogen-bonded Turntrans-105.9-14.5-172.1-66.899.1000114Y126W16-Y126 HydrophobicContact CH2-CD2 4.48Å
17L42.8Very low34.7Very low139 Ų139148.2 Ų148.273%0.72878%0.781SS**SBendtrans-85.3-6.7178.2-73173.7000113.8L19L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 2.88Å
18N31.7Very low34.6Very low151 Ų151149 Ų14981%0.80778%0.78SS**SBendtrans-88.210.4-174.5-124.6-1.3000115.4
19L36.3Very low34.4Very low132 Ų132148.5 Ų148.569%0.69179%0.788SS**SBendtrans-122.253175-145.988.5000111.4L17L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 2.88Å
20R41.6Very low33.8Very low233 Ų233148.5 Ų148.588%0.87979%0.788SS**  trans-158.475.3163.6-151.1177.8-172.2-1750.7111.3
21S31.8Very low34Very low120 Ų120150 Ų15084%0.83979%0.793SS**  trans-156.777.1160.1-79.40000107.9
22E31.5Very low33.7Very low191 Ų191151.1 Ų151.189%0.89381%0.805SS**  trans-176.797.1149.6-104.5177.3-177.800108
23E31.7Very low34Very low197 Ų197149.1 Ų149.192%0.92180%0.798SS**  trans163.389.1140.3-94.1-178.9154.700109.4
24E32.8Very low34.1Very low195 Ų195151.4 Ų151.491%0.91181%0.81SS**  trans-119.7109.1146-82.5-161.8162.200107.7
25R31.1Very low34.5Very low247 Ų247150.4 Ų150.493%0.93281%0.812SS**  trans-161.1102.4144-159.2174.2-65.2-98.6-1.4112
26G30.8Very low35Very low67 Ų67153.8 Ų153.869%0.69181%0.814SS**  trans79.3116.7141.800000118.8
27Q29.3Very low35.5Very low201 Ų201153.8 Ų153.894%0.93983%0.826SS**  174.4128.5104.9-97171.4-35.700110.8
28E30.8Very low35.6Very low189 Ų189152.3 Ų152.388%0.88382%0.819SS**  trans-70.5144.7165-77.1178.9134.700111.1
29S30.8Very low36.2Very low122 Ų122151.2 Ų151.285%0.85381%0.813SS**  trans131.8141.7137.171.60000115.8
30S27.4Very low37Very low116 Ų116150 Ų15081%0.81182%0.816SS**  trans102.6107.9157-149.70000118.3
31M38.6Very low37.3Very low194 Ų194144.8 Ų144.896%0.95681%0.805SS**  trans-50.2142.4161.1-70.4179168.500111.8
32G30.7Very low38.5Very low73 Ų73144.6 Ų144.675%0.75380%0.799SS**  trans-171.4106.4172.900000110.7
33D39.4Very low39.4Very low145 Ų145138.5 Ų138.578%0.77578%0.777SS**  trans-36133.4172.4-177.820.8000116.2S35D33-S35 PolarHBondContact OD1-N 3.16Å
34S38.6Very low40.9Very low110 Ų110134.3 Ų134.377%0.76976%0.761SS**  trans-157.164.6157.6720000111.3N36S34-N36 PolarHBondContact O-N 3.38Å
35S42.1Very low42.5Very low98 Ų98130.8 Ų130.869%0.68574%0.744SS**  trans-78.189.8161.656.30000110.1D33D33-S35 PolarHBondContact OD1-N 3.16Å
36N46.2Very low43.8Very low139 Ų139126.2 Ų126.274%0.74373%0.727SS**  trans-158.247.7169.7-127.8-44.2000114.5S34S34-N36 PolarHBondContact O-N 3.38Å
37L49Very low44.9Very low170 Ų170127.1 Ų127.189%0.8972%0.716SS**  trans-123.511.5177.6-79.4167.8000114.2
38D44.8Very low46.3Very low109 Ų109123.5 Ų123.558%0.58370%0.698SS**  trans-1062.4-172.4-148.428.5000115.3S40 L41D38-S40 PolarHBondContact O-N 2.87Å; D38-S40 VanDerWaalsContact O-N 3.11Å; D38-L41 WeakPolarHBondContact OD1-CD1 3.14Å
39D45.1Very low47.4Very low128 Ų128122.7 Ų122.768%0.68470%0.695SS**THydrogen-bonded Turntrans-78.66-175.8-116.25.1000114.7
40S53.2Low48.2Very low107 Ų107123.7 Ų123.775%0.74868%0.684SS**THydrogen-bonded Turntrans-95.2-1.6177.4-61.60000114.2D38D38-S40 PolarHBondContact O-N 2.87Å; D38-S40 VanDerWaalsContact O-N 3.11Å
41L48.8Very low49.1Very low122 Ų122122.6 Ų122.664%0.63968%0.677SS**SBendtrans-87.6-7.4-178.6-67.8-177.1000114.5D38D38-L41 WeakPolarHBondContact OD1-CD1 3.14Å
42T55.4Low49.5Very low116 Ų116120.5 Ų120.571%0.71267%0.667SS**SBendtrans-133.8-7.4178.344.80000113.8L44T42-L44 PolarHBondContact O-N 3.07Å
43S51.5Low50.1Low63 Ų63123.9 Ų123.944%0.44167%0.667SS.*  trans-71.9103.5-177.1-171.20000111.2Q45S43-Q45 PolarHBondContact O-N 3.29Å
44L63.7Low50.1Low110 Ų110124.6 Ų124.658%0.57667%0.671SS**  trans-69.831.4169.1-66.4178.3000112.2T42 W46 L47T42-L44 PolarHBondContact O-N 3.07Å; L44-W46 HydrophobicContact CD2-CZ2 4.29Å; L44-W46 PolarHBondContact O-N 3.17Å; L44-W46 VanDerWaalsContact O-N 3.08Å; L44-L47 HydrophobicContact CB-CD1 4.05Å; L44-L47 HydrophobicContact CD1-CD1 4.05Å; L44-L47 HydrophobicContact CD2-CD1 4.15Å; L44-L47 HydrophobicContact CG-CD1 4.31Å; L44-L47 WeakPolarHBondContact O-CB 3.47Å; L44-L47 PolarHBondContact O-N 3.15Å
45Q65.2Low50.1Low120 Ų120123.6 Ų123.656%0.56167%0.669SS**G310 helixtrans-56.8-28.2-178.8-159.570.715.900112.2S43 L47 Q48S43-Q45 PolarHBondContact O-N 3.29Å; Q45-L47 VanDerWaalsContact C-N 3.26Å; Q45-L47 PolarHBondContact O-N 3.33Å; Q45-Q48 VanDerWaalsContact O-CB 3.29Å; Q45-Q48 WeakPolarHBondContact O-CB 3.38Å; Q45-Q48 PolarHBondContact O-N 3.33Å; Q45-Q48 VanDerWaalsContact O-N 3.12Å
46W58.4Low49.8Very low152 Ų152126.2 Ų126.258%0.57668%0.675SS**G310 helixtrans-64.9-24.4175.768.2-91.4000113.8L44 Q48L44-W46 HydrophobicContact CD2-CZ2 4.29Å; L44-W46 PolarHBondContact O-N 3.17Å; L44-W46 VanDerWaalsContact O-N 3.08Å; W46-Q48 VanDerWaalsContact C-N 3.25Å; W46-Q48 PolarHBondContact O-N 3.32Å
47L54.4Low49.4Very low86 Ų86126.1 Ų126.145%0.4568%0.679SS.*G310 helixtrans-73.3-20.3174.8-86.7159.8000112L44 Q45 E49 F50L44-L47 HydrophobicContact CB-CD1 4.05Å; L44-L47 HydrophobicContact CD1-CD1 4.05Å; L44-L47 HydrophobicContact CD2-CD1 4.15Å; L44-L47 HydrophobicContact CG-CD1 4.31Å; L44-L47 WeakPolarHBondContact O-CB 3.47Å; L44-L47 PolarHBondContact O-N 3.15Å; Q45-L47 VanDerWaalsContact C-N 3.26Å; Q45-L47 PolarHBondContact O-N 3.33Å; L47-E49 VanDerWaalsContact C-N 3.33Å; L47-F50 PolarHBondContact O-N 3.19Å
48Q58.9Low48.7Very low124 Ų124121 Ų12158%0.57967%0.668SS**G310 helixtrans-73.3-26.4-179.9-157.7171.34.700112.5Q45 W46 F50 S51Q45-Q48 VanDerWaalsContact O-CB 3.29Å; Q45-Q48 WeakPolarHBondContact O-CB 3.38Å; Q45-Q48 PolarHBondContact O-N 3.33Å; Q45-Q48 VanDerWaalsContact O-N 3.12Å; W46-Q48 VanDerWaalsContact C-N 3.25Å; W46-Q48 PolarHBondContact O-N 3.32Å; Q48-F50 VanDerWaalsContact C-N 3.25Å; Q48-F50 PolarHBondContact O-N 2.99Å; Q48-S51 PolarHBondContact O-OG 3.49Å; Q48-S51 VanDerWaalsContact O-OG 3.08Å
49E52.5Low48.2Very low172 Ų172125.8 Ų125.880%0.80468%0.684SS**G310 helixtrans-72-16.1174.4-86.6-176.5150.900113.5L47L47-E49 VanDerWaalsContact C-N 3.33Å
50F48.2Very low47.6Very low143 Ų143125.5 Ų125.563%0.62769%0.692SS**G310 helixtrans-111.152.3175-60.9-78.9000111.3L47 Q48 I52L47-F50 PolarHBondContact O-N 3.19Å; Q48-F50 VanDerWaalsContact C-N 3.25Å; Q48-F50 PolarHBondContact O-N 2.99Å; F50-I52 VanDerWaalsContact C-N 3.26Å; F50-I52 PolarHBondContact O-N 2.93Å
51S45.8Very low46.6Very low94 Ų94125.5 Ų125.566%0.65769%0.692SS**  trans-55.584.3176-71.30000112.3Q48 I53Q48-S51 PolarHBondContact O-OG 3.49Å; Q48-S51 VanDerWaalsContact O-OG 3.08Å; S51-I53 PolarHBondContact O-N 3.3Å
52I47.5Very low45.9Very low149 Ų149124.8 Ų124.876%0.76470%0.697SS**  trans-79.393.8161.7-59.8173.6000105.4F50F50-I52 VanDerWaalsContact C-N 3.26Å; F50-I52 PolarHBondContact O-N 2.93Å
53I44Very low44.9Very low145 Ų145124.5 Ų124.574%0.74470%0.7SS**  trans40.899.5163.9-67.395.2000115.7S51 A55S51-I53 PolarHBondContact O-N 3.3Å; I53-A55 PolarHBondContact O-N 3.45Å; I53-A55 VanDerWaalsContact O-N 3.09Å
54N38Very low44.8Very low159 Ų159127.2 Ų127.285%0.8572%0.716SS**  trans-65.5100.6155.6-79.9-14.4000109.7
55A40Very low43.4Very low89 Ų89128.1 Ų128.174%0.73673%0.731SS**  trans-84.2106.5158.200000108.6I53 V57I53-A55 PolarHBondContact O-N 3.45Å; I53-A55 VanDerWaalsContact O-N 3.09Å; A55-V57 PolarHBondContact O-N 3.4Å
56N36.1Very low41.8Very low153 Ų153125.5 Ų125.582%0.81874%0.736SS**  trans-64.6103.4177.9-178.219.1000111.3
57V37.6Very low40.7Very low137 Ų137125.1 Ų125.183%0.8375%0.751SS**  trans-90.7110.2160.2168.20000107.6A55 K59A55-V57 PolarHBondContact O-N 3.4Å; V57-K59 PolarHBondContact O-N 3.36Å
58G33.7Very low39.7Very low63 Ų63128.4 Ų128.465%0.64977%0.769SS**PPolyproline II helixtrans-59.3131.4178.400000112.2
59K33.4Very low39.4Very low209 Ų209127 Ų12791%0.90977%0.771SS**PPolyproline II helixtrans-74.4145169.3-92.6167.3172.8169.60111.3V57V57-K59 PolarHBondContact O-N 3.36Å
60S32.5Very low38.7Very low122 Ų122127 Ų12785%0.85377%0.771SS**PPolyproline II helixtrans-70.2159.2-177.6440000115.3
61S32.9Very low37.8Very low107 Ų107126.3 Ų126.375%0.74877%0.773SS**  trans-131.4120.4161.358.60000110.3
62S33.6Very low37.3Very low107 Ų107130.5 Ų130.575%0.74878%0.776SS**  trans21.1142.914157.30000120.4
63S34.1Very low36.8Very low111 Ų111131.1 Ų131.178%0.77678%0.775SS**  cis-169.4-155.32.5-72.50000107
64P51.3Low36.3Very low119 Ų119133.9 Ų133.977%0.77378%0.782SS**  -126.7177-107.638.5-17.7000117.8
65S34Very low36.3Very low129 Ų129134 Ų13490%0.90278%0.781SS**  trans90.5131.9149.4-161.30000121
66G30.4Very low36.4Very low65 Ų65135.5 Ų135.567%0.6778%0.783SS**  trans150.682.9152.800000118.4
67T35.8Very low36.2Very low144 Ų144131.4 Ų131.488%0.88378%0.777SS**  trans20.3128.6143.152.90000123.4
68D33.9Very low36.2Very low156 Ų156130.2 Ų130.283%0.83478%0.775SS**  trans-39.3176.2151.3-107.7-28.2000116.9
69P52.4Low36.2Very low94 Ų94133.6 Ų133.661%0.6178%0.782SS**  cis-149.3179.17.437.1-13.5000119.4
70H36.8Very low36.6Very low173 Ų173127.7 Ų127.780%0.80177%0.773SS**  trans79.1132.3147.7-68.8-57.4000124.8
71D29.4Very low37.1Very low127 Ų127127.9 Ų127.968%0.67977%0.771SS**  trans108.7102.2137.8-95.622.3000122.9
72Y35.4Very low37.4Very low183 Ų183128.7 Ų128.772%0.71878%0.775SS**  trans54.1127.5130.6-76.1-63.8000124.6
73H38.2Very low37.8Very low162 Ų162129 Ų12975%0.7578%0.778SS**  trans74106.9143-63-55.7000120.9
74K32.9Very low38.5Very low203 Ų203130 Ų13088%0.88378%0.781SS**  156.7131.1107.1-99.3176.5177.7-178.70112.8
75I37.2Very low38Very low160 Ų160132.4 Ų132.482%0.82179%0.787SS**  trans-68.5139.7160.8-66171.1000108.5
76P42.9Very low38.3Very low122 Ų122130.9 Ų130.979%0.79278%0.782SS**  -148.6130.595.432.2-10.3000117.4
77G31.2Very low38.7Very low67 Ų67132.6 Ų132.669%0.69179%0.79SS**  79.7122.1118.400000121.4
78S38.4Very low38.9Very low112 Ų112132.7 Ų132.778%0.78379%0.785SS**  trans71.9127.8153.8-153.90000115.5
79V33.9Very low39.8Very low133 Ų133131.1 Ų131.181%0.80678%0.783SS**  cis-161.4145.342.8-147.10000108.3
80A41.8Very low39Very low85 Ų85130.6 Ų130.670%0.70279%0.787SS**  trans-67.4160.2172.600000112.8
81P43.5Very low39.2Very low127 Ų127127.9 Ų127.983%0.82579%0.786SS**  -136.1151.9108.334.9-21.9000114.1
82C37.9Very low39.7Very low123 Ų123130.9 Ų130.983%0.83180%0.798SS**PPolyproline II helixtrans-64.7141.5-166.6-52.40000115.4
83S43.3Very low39.8Very low114 Ų114125.3 Ų125.380%0.79780%0.797SS**PPolyproline II helixtrans-71.7142.4161.6-57.90000111.2
84P49Very low40.1Very low131 Ų131125.6 Ų125.685%0.85180%0.8SS**PPolyproline II helixtrans-75.1134171.129.5-30.9000111.2
85L39.8Very low40.6Very low170 Ų170121.6 Ų121.689%0.8980%0.795SS**PPolyproline II helixtrans-67.2136.7179.4-169.564.5000111.1A87L85-A87 PolarHBondContact O-N 2.88Å
86A40Very low40.8Very low98 Ų98121.8 Ų121.881%0.8179%0.792SS**PPolyproline II helixtrans-59.7129.1177.300000111.4
87A39.5Very low41.1Very low100 Ų100122.1 Ų122.183%0.82679%0.792SS**PPolyproline II helixtrans-90.9126.1171.400000109.7L85L85-A87 PolarHBondContact O-N 2.88Å
88D40.2Very low41.7Very low146 Ų146125.1 Ų125.178%0.78180%0.8SS**PPolyproline II helixtrans-82.4125.4170.5-170.4-0000109.5
89P51.5Low41.8Very low124 Ų124123.5 Ų123.581%0.80580%0.8SS**  trans-106.290.3169.335-23.6000110.6
90A35.9Very low42.4Very low82 Ų82126.5 Ų126.568%0.67880%0.802SS**  trans-13386.3160.400000110.4
91C42.2Very low42.5Very low117 Ų117128.5 Ų128.579%0.79181%0.809SS**  trans178.8114.2135.560.60000109.7
92M39.6Very low42.5Very low189 Ų189130 Ų13093%0.93181%0.808SS**  trans-143.8113.8144.8-77.4-53.5-85.800107.5
93G36.9Very low42.6Very low67 Ų67129.4 Ų129.469%0.69181%0.805SS**  trans-65.8169.5169.500000112.6
94M44.5Very low42.3Very low167 Ų167129.6 Ų129.682%0.82381%0.807SS**  trans-50.8147.3-177.1-61.318063.600115.5
95P43.7Very low41.7Very low119 Ų119128 Ų12877%0.77380%0.798SS**  trans-109.4146.2141.733.2-24.5000111.8
96H40.4Very low41.6Very low164 Ų164126.2 Ų126.276%0.75979%0.794SS**  trans-69.6140.3179.8-69.2-100000113.6
97T50Low41.4Very low129 Ų129126.2 Ų126.279%0.79179%0.789SS**  trans34.5128.4152.9620000120.6
98P44Very low41.6Very low131 Ų131132.3 Ų132.385%0.85179%0.79SS**  -153.815193.934.4-14.3000116.9
99G39.3Very low41.4Very low77 Ų77131.9 Ų131.979%0.79479%0.793SS**  trans86116.6142.600000118.6
100K46.7Very low40.9Very low196 Ų196130 Ų13085%0.85279%0.788SS**  trans-60.7141.5172.1-60.2128.1176.5-178.30111.3I102K100-I102 PolarHBondContact O-N 2.94Å; K100-I102 VanDerWaalsContact O-N 3.16Å
101P43.9Very low41.2Very low128 Ų128133.5 Ų133.583%0.83179%0.79SS**  trans-71.2111165.228.5-30.3000109.1S103P101-S103 PolarHBondContact O-N 3.33Å
102I44.3Very low41.1Very low159 Ų159136.2 Ų136.282%0.81580%0.796SS**  trans-63.4118.6164-67.1170.1000106.6K100 S104K100-I102 PolarHBondContact O-N 2.94Å; K100-I102 VanDerWaalsContact O-N 3.16Å; I102-S104 PolarHBondContact O-N 2.69Å; I102-S104 VanDerWaalsContact O-N 3.09Å
103S40.4Very low40.8Very low109 Ų109128.9 Ų128.976%0.76277%0.769SS**  trans-54.9113.3170.4-530000109.6P101 S105P101-S103 PolarHBondContact O-N 3.33Å; S103-S105 PolarHBondContact O-N 3.37Å
104S36.9Very low40.8Very low119 Ų119132 Ų13283%0.83277%0.774SS**  trans-71.578166.839.50000109I102 T106I102-S104 PolarHBondContact O-N 2.69Å; I102-S104 VanDerWaalsContact O-N 3.09Å; S104-T106 PolarHBondContact O-N 3.33Å; S104-T106 VanDerWaalsContact O-N 3.1Å
105S36.7Very low40.8Very low97 Ų97128 Ų12868%0.67878%0.776SS**  trans-69.4102.4164.2-159.10000107.5S103 S107S103-S105 PolarHBondContact O-N 3.37Å; S105-S107 PolarHBondContact O-N 3.21Å
106T36.2Very low40.5Very low132 Ų132129.2 Ų129.281%0.8177%0.773SS**  trans-6587162.3-97.10000107.3S104 R108S104-T106 PolarHBondContact O-N 3.33Å; S104-T106 VanDerWaalsContact O-N 3.1Å; T106-R108 HydrophobicContact CG2-CG 4.37Å; T106-R108 PolarHBondContact O-N 3.02Å
107S36.7Very low40.3Very low99 Ų99128.5 Ų128.569%0.69277%0.769SS**  trans-74.1100.1166.1-64.30000106.9S105 T109S105-S107 PolarHBondContact O-N 3.21Å; S107-T109 PolarHBondContact O-N 3.04Å
108R42.9Very low39.7Very low227 Ų227126.9 Ų126.986%0.85777%0.769SS**  trans-59.6121.6163.6-69.8177.266.3-177.40.9107.2T106 A110T106-R108 HydrophobicContact CG2-CG 4.37Å; T106-R108 PolarHBondContact O-N 3.02Å; R108-A110 PolarHBondContact O-N 3.36Å
109T36.7Very low39.1Very low138 Ų138127 Ų12785%0.84776%0.758SS**  trans-34.899.1173.7-48.30000111.8S107 H111S107-T109 PolarHBondContact O-N 3.04Å; T109-H111 PolarHBondContact O-N 3.43Å
110A41.3Very low39.3Very low84 Ų84128.3 Ų128.369%0.69475%0.753SS**  trans-77.4109.115900000105.8R108 L112R108-A110 PolarHBondContact O-N 3.36Å; A110-L112 PolarHBondContact O-N 2.86Å; A110-L112 VanDerWaalsContact O-N 3.16Å
111H41Very low39.3Very low155 Ų155125.8 Ų125.872%0.71875%0.746SS**  trans-57.5120.6168.582.2-75.6000107.8T109T109-H111 PolarHBondContact O-N 3.43Å
112L41.6Very low39.5Very low174 Ų174128 Ų12891%0.91175%0.745SS**  trans-77.2127.2159.9-102.887.6000106.7A110A110-L112 PolarHBondContact O-N 2.86Å; A110-L112 VanDerWaalsContact O-N 3.16Å
113G33Very low40.4Very low35 Ų35128.1 Ų128.136%0.36175%0.747SS.*  trans-170.687.7175.500000113.5
114V36.4Very low42.1Very low134 Ų134126 Ų12681%0.81273%0.727SS**  trans72.1140.5142.9-170.90000116.2M116V114-M116 WeakPolarHBondContact O-CG 3.27Å; V114-M116 PolarHBondContact O-N 3.46Å
115G45.2Very low44.3Very low82 Ų82123 Ų12385%0.84570%0.701SS**  trans-55.5104.7173.300000110.4
116M36.7Very low46.6Very low145 Ų145119.8 Ų119.871%0.71468%0.675SS**  trans-111.4113.2175.4-65.9-174.183.700107.5V114 A118V114-M116 WeakPolarHBondContact O-CG 3.27Å; V114-M116 PolarHBondContact O-N 3.46Å; M116-A118 PolarHBondContact O-N 2.79Å
117H35.6Very low48.8Very low148 Ų148117.4 Ų117.469%0.68565%0.653SS**  trans-4.2123.7142-168.4-88.9000112.4Q119H117-Q119 PolarHBondContact ND1-NE2 3.39Å; H117-Q119 PolarHBondContact O-N 3.32Å
118A37.8Very low51Low96 Ų96116.9 Ų116.979%0.79365%0.646SS**  trans-55.188.9170.900000109M116M116-A118 PolarHBondContact O-N 2.79Å
119Q32.1Very low53.1Low133 Ų133109.2 Ų109.262%0.62162%0.622SS**  trans-69.5136.4167.6-71.9-66.4-36.600106H117 M121H117-Q119 PolarHBondContact ND1-NE2 3.39Å; H117-Q119 PolarHBondContact O-N 3.32Å; Q119-M121 PolarHBondContact O-N 2.9Å
120P42.9Very low55.4Low105 Ų105104.7 Ų104.768%0.68260%0.595SS**  trans-54.5128.7172.8-13.426.5000106.7E122P120-E122 PolarHBondContact O-N 3.46Å
121M46.4Very low57.4Low143 Ų143109 Ų10970%0.70460%0.601SS**  trans-54.2114.4165.5-79.8-168.1168.300106Q119 D123 K224Q119-M121 PolarHBondContact O-N 2.9Å; M121-D123 PolarHBondContact O-N 3.39Å; M121-K224 PolarHBondContact SD-NZ 3.38Å
122E48.8Very low59.6Low174 Ų174104.2 Ų104.281%0.81358%0.582SS**  trans-48.2130.9169.1-76.4174.8155.400107.7P120 I124P120-E122 PolarHBondContact O-N 3.46Å; E122-I124 PolarHBondContact O-N 3.12Å
123D64.1Low61.9Low161 Ų161101 Ų10186%0.86156%0.561SS**  trans-66.483.1176.4-73.5-45.2000108.2M121 D125M121-D123 PolarHBondContact O-N 3.39Å; D123-D125 PolarHBondContact O-N 3.48Å
124I75.6Confident64.6Low64 Ų6499.7 Ų99.733%0.32855%0.545SS..  trans-62.2113.6174.7-63.6160.1000106.8E122 Y126 V132E122-I124 PolarHBondContact O-N 3.12Å; I124-Y126 HydrophobicContact CB-CE1 4.14Å; I124-Y126 HydrophobicContact CB-CE2 4.47Å; I124-Y126 HydrophobicContact CG2-CD1 4.02Å; I124-Y126 HydrophobicContact CG2-CE1 3.83Å; I124-Y126 WeakPolarHBondContact O-CD2 3.46Å; I124-Y126 WeakPolarHBondContact O-CE2 3.04Å; I124-Y126 PolarHBondContact O-N 3.23Å; I124-V132 HydrophobicContact CG2-CB 4.32Å; I124-V132 HydrophobicContact CG2-CG1 4.24Å; I124-V132 HydrophobicContact CG2-CG2 4.33Å
125D82.7Confident67.1Low56 Ų5696.2 Ų96.230%0.29953%0.526SS..  trans-72.396.2174.4179.117.9000110.2D123 K127 T128 N129D123-D125 PolarHBondContact O-N 3.48Å; D125-K127 PolarHBondContact O-N 3.14Å; D125-K127 VanDerWaalsContact OD1-CB 3.3Å; D125-K127 WeakPolarHBondContact OD1-CB 3.4Å; D125-K127 PolarHBondContact OD1-N 3.43Å; D125-T128 VanDerWaalsContact CG-OG1 3.27Å; D125-T128 PolarHBondContact O-N 3.03Å; D125-T128 PolarHBondContact O-OG1 3.36Å; D125-T128 WeakPolarHBondContact OD2-CB 3.3Å; D125-T128 WeakPolarHBondContact OD2-CG2 3.31Å; D125-T128 PolarHBondContact OD2-OG1 3.34Å; D125-N129 WeakPolarHBondContact O-CB 3.49Å; D125-N129 PolarHBondContact O-N 2.69Å; D125-N129 PolarHBondContact O-ND2 3.07Å
126Y84.5Confident69.3Low30 Ų3095.2 Ų95.212%0.11850%0.497CS..THydrogen-bonded Turntrans-68.6-11.8179.9-56.4-76.6000113.6W16 I124 V132 P134 P135 F167 C168W16-Y126 HydrophobicContact CH2-CD2 4.48Å; I124-Y126 HydrophobicContact CB-CE1 4.14Å; I124-Y126 HydrophobicContact CB-CE2 4.47Å; I124-Y126 HydrophobicContact CG2-CD1 4.02Å; I124-Y126 HydrophobicContact CG2-CE1 3.83Å; I124-Y126 WeakPolarHBondContact O-CD2 3.46Å; I124-Y126 WeakPolarHBondContact O-CE2 3.04Å; I124-Y126 PolarHBondContact O-N 3.23Å; Y126-V132 HydrophobicContact CD1-CG1 4.3Å; Y126-V132 HydrophobicContact CE1-CG1 3.86Å; Y126-P134 HydrophobicContact CD1-CB 4.27Å; Y126-P134 HydrophobicContact CD1-CG 4.29Å; Y126-P135 WeakPolarHBondContact OH-CD 3.49Å; Y126-F167 WeakPolarHBondContact O-CA 3.49Å; Y126-C168 PolarHBondContact O-N 3.19Å
127K83.1Confident72Confident82 Ų8289.2 Ų89.236%0.35747%0.469SS..THydrogen-bonded Turntrans-76.6-28.2177.5-68.7-178.2169.1-179.60112.8D125 N166 C168D125-K127 PolarHBondContact O-N 3.14Å; D125-K127 VanDerWaalsContact OD1-CB 3.3Å; D125-K127 WeakPolarHBondContact OD1-CB 3.4Å; D125-K127 PolarHBondContact OD1-N 3.43Å; K127-N166 VanDerWaalsContact CG-O 3.31Å; K127-N166 WeakPolarHBondContact CG-O 3.43Å; K127-C168 WeakPolarHBondContact O-CB 3.49Å
128T83.6Confident74.8Confident89 Ų8984.6 Ų84.655%0.54645%0.446SS..THydrogen-bonded Turntrans-106.3-31.1-176.450.80000112.4D125 P130 C168D125-T128 VanDerWaalsContact CG-OG1 3.27Å; D125-T128 PolarHBondContact O-N 3.03Å; D125-T128 PolarHBondContact O-OG1 3.36Å; D125-T128 WeakPolarHBondContact OD2-CB 3.3Å; D125-T128 WeakPolarHBondContact OD2-CG2 3.31Å; D125-T128 PolarHBondContact OD2-OG1 3.34Å; T128-P130 WeakPolarHBondContact O-CD 3.41Å; T128-C168 PolarHBondContact O-SG 3.42Å
129N85.3Confident77.5Confident65 Ų6581 Ų8135%0.34842%0.416SS..  trans-82.9111.5-173.8-72.3-65.7000113.5D125D125-N129 WeakPolarHBondContact O-CB 3.49Å; D125-N129 PolarHBondContact O-N 2.69Å; D125-N129 PolarHBondContact O-ND2 3.07Å
130P85.3Confident80.4Confident43 Ų4375.2 Ų75.228%0.27939%0.39SS..SBendtrans-78.6-21.4179.831.5-34.7000113.4T128 Y169T128-P130 WeakPolarHBondContact O-CD 3.41Å; P130-Y169 WeakPolarHBondContact O-CA 3.47Å; P130-Y169 WeakPolarHBondContact O-CD2 3.17Å
131H82.9Confident82.9Confident176 Ų17670.2 Ų70.282%0.81536%0.357SS*.SBendtrans-88.2-11.3-172-61.4-61.6000114.4
132V87.6Confident85.2Confident54 Ų5463.4 Ų63.433%0.32732%0.324SS..  trans-108.3112-175.5-173.40000109.8I124 Y126 P134I124-V132 HydrophobicContact CG2-CB 4.32Å; I124-V132 HydrophobicContact CG2-CG1 4.24Å; I124-V132 HydrophobicContact CG2-CG2 4.33Å; Y126-V132 HydrophobicContact CD1-CG1 4.3Å; Y126-V132 HydrophobicContact CE1-CG1 3.86Å; V132-P134 WeakPolarHBondContact O-CD 3.3Å
133K90.3Very high87.3Confident107 Ų10755.2 Ų55.247%0.46529%0.286SS..  trans-67.1126.6171.4-174.9174.6179.7175.30109.4Y169K133-Y169 HydrophobicContact CB-CD1 4.36Å; K133-Y169 HydrophobicContact CB-CD2 4.08Å; K133-Y169 HydrophobicContact CB-CE1 4.25Å; K133-Y169 HydrophobicContact CB-CE2 3.93Å; K133-Y169 HydrophobicContact CB-CG 4.29Å; K133-Y169 HydrophobicContact CD-CE1 4.18Å; K133-Y169 HydrophobicContact CG-CD1 4.17Å; K133-Y169 HydrophobicContact CG-CE1 3.95Å; K133-Y169 HydrophobicContact CG-CE2 4.49Å
134P89.8Confident88.7Confident6 Ų648.9 Ų48.94%0.03925%0.251CS..  trans-59.7142.8178.4-23.132.9000111.6Y126 V132 Y136 F167 F170Y126-P134 HydrophobicContact CD1-CB 4.27Å; Y126-P134 HydrophobicContact CD1-CG 4.29Å; V132-P134 WeakPolarHBondContact O-CD 3.3Å; P134-Y136 HydrophobicContact CB-CD2 3.61Å; P134-Y136 HydrophobicContact CB-CE2 4.21Å; P134-Y136 PolarHBondContact O-N 3.18Å; P134-F167 HydrophobicContact CB-CD1 3.78Å; P134-F167 HydrophobicContact CB-CE1 3.83Å; P134-F167 HydrophobicContact CB-CG 4.49Å; P134-F167 HydrophobicContact CG-CB 3.93Å; P134-F167 HydrophobicContact CG-CD1 3.21Å; P134-F167 HydrophobicContact CG-CE1 3.82Å; P134-F167 HydrophobicContact CG-CG 3.68Å; P134-F170 HydrophobicContact CG-CE2 4.05Å
135P89.6Confident89.6Confident62 Ų6245.9 Ų45.940%0.40324%0.236SC..SBendtrans-77.740179.934.7-37.6000112.3Y126Y126-P135 WeakPolarHBondContact OH-CD 3.49Å
136Y90.2Very high90.1Very high61 Ų6143.9 Ų43.924%0.23923%0.225CC..  trans-116.6141.7-178-59.1-62.1000110.9P134 T140 L141 M144 F167P134-Y136 HydrophobicContact CB-CD2 3.61Å; P134-Y136 HydrophobicContact CB-CE2 4.21Å; P134-Y136 PolarHBondContact O-N 3.18Å; Y136-T140 HydrophobicContact CD1-CG2 3.87Å; Y136-T140 HydrophobicContact CG-CG2 4.38Å; Y136-L141 HydrophobicContact CD2-CD2 4.41Å; Y136-M144 HydrophobicContact CD1-CE 4.34Å; Y136-M144 HydrophobicContact CD2-CE 3.99Å; Y136-M144 HydrophobicContact CE2-CE 4.43Å; Y136-M144 HydrophobicContact CG-CE 3.95Å; Y136-F167 AromaticContact CD2-CE1 3.96Å; Y136-F167 HydrophobicContact CD2-CE1 3.96Å; Y136-F167 AromaticContact CD2-CZ 3.86Å; Y136-F167 HydrophobicContact CD2-CZ 3.86Å; Y136-F167 AromaticContact CE2-CE1 3.92Å; Y136-F167 HydrophobicContact CE2-CE1 3.92Å; Y136-F167 HydrophobicContact CE2-CZ 4Å
137S93.5Very high90.4Very high18 Ų1847.8 Ų47.813%0.12624%0.244CC..  trans-74.4156.8170.976.50000111A139 T140 L141 R225S137-A139 PolarHBondContact O-N 2.87Å; S137-T140 WeakPolarHBondContact O-CA 3.46Å; S137-T140 WeakPolarHBondContact O-CB 3.31Å; S137-T140 PolarHBondContact O-N 3Å; S137-T140 PolarHBondContact OG-N 3.24Å; S137-T140 VanDerWaalsContact OG-N 3.11Å; S137-T140 PolarHBondContact OG-OG1 3.36Å; S137-L141 WeakPolarHBondContact O-CG 3.35Å; S137-L141 PolarHBondContact O-N 3.28Å; S137-R225 VanDerWaalsContact CB-CZ 3.46Å
138Y95.6Very high90.8Very high52 Ų5246.5 Ų46.520%0.20425%0.249CC..Hα-helixtrans-56.8-38.4174.5-66.2-57.7000112.6L141 I142 F170 W177 I181Y138-L141 HydrophobicContact CD1-CD1 4.05Å; Y138-L141 PolarHBondContact O-N 3.04Å; Y138-I142 WeakPolarHBondContact O-CD1 3.29Å; Y138-I142 VanDerWaalsContact O-CG1 3.26Å; Y138-I142 WeakPolarHBondContact O-CG1 3.49Å; Y138-I142 PolarHBondContact O-N 2.85Å; Y138-F170 HydrophobicContact CE1-CE1 4.12Å; Y138-F170 HydrophobicContact CE1-CZ 4.43Å; Y138-W177 HydrophobicContact CE1-CB 4.47Å; Y138-I181 HydrophobicContact CD1-CD1 3.69Å; Y138-I181 HydrophobicContact CD1-CG1 4.36Å; Y138-I181 HydrophobicContact CG-CD1 4.24Å
139A94.1Very high91Very high19 Ų1944 Ų4416%0.15724%0.235CC..Hα-helixtrans-57.7-50.6171.800000111S137 L141 I142 C143 F191S137-A139 PolarHBondContact O-N 2.87Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 3.03Å; A139-I142 PolarHBondContact O-N 3.39Å; A139-I142 VanDerWaalsContact O-N 3.16Å; A139-C143 PolarHBondContact O-N 2.89Å; A139-C143 PolarHBondContact O-SG 2.77Å; A139-F191 HydrophobicContact CB-CE2 4.32Å; A139-F191 HydrophobicContact CB-CZ 4.49Å
140T93Very high91Very high12 Ų1250.4 Ų50.47%0.07426%0.26CS..Hα-helixtrans-57.2-42.4176.7-49.60000112.3Y136 S137 I142 C143 M144 A221Y136-T140 HydrophobicContact CD1-CG2 3.87Å; Y136-T140 HydrophobicContact CG-CG2 4.38Å; S137-T140 WeakPolarHBondContact O-CA 3.46Å; S137-T140 WeakPolarHBondContact O-CB 3.31Å; S137-T140 PolarHBondContact O-N 3Å; S137-T140 PolarHBondContact OG-N 3.24Å; S137-T140 VanDerWaalsContact OG-N 3.11Å; S137-T140 PolarHBondContact OG-OG1 3.36Å; T140-I142 PolarHBondContact O-N 3.15Å; T140-C143 PolarHBondContact O-N 2.98Å; T140-M144 HydrophobicContact CG2-CE 4.17Å; T140-M144 WeakPolarHBondContact O-CG 3.5Å; T140-M144 PolarHBondContact O-N 3.47Å; T140-A221 HydrophobicContact CG2-CB 4.43Å; T140-A221 WeakPolarHBondContact CG2-O 3.19Å; T140-A221 PolarHBondContact OG1-O 3.16Å; T140-A221 VanDerWaalsContact OG1-O 3.06Å
141L94.6Very high91.1Very high1 Ų155.6 Ų55.61%0.00528%0.278CS..Hα-helixtrans-61.5-43.2177.4-67.8172.5000112.1Y136 S137 Y138 A139 C143 M144 A145 W162 I163 F167 F170Y136-L141 HydrophobicContact CD2-CD2 4.41Å; S137-L141 WeakPolarHBondContact O-CG 3.35Å; S137-L141 PolarHBondContact O-N 3.28Å; Y138-L141 HydrophobicContact CD1-CD1 4.05Å; Y138-L141 PolarHBondContact O-N 3.04Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 3.03Å; L141-C143 VanDerWaalsContact C-N 3.31Å; L141-C143 PolarHBondContact O-N 2.88Å; L141-M144 HydrophobicContact CD2-CE 3.69Å; L141-M144 HydrophobicContact CG-CE 4.47Å; L141-M144 PolarHBondContact O-N 3.03Å; L141-A145 PolarHBondContact O-N 3.4Å; L141-A145 VanDerWaalsContact O-N 3.09Å; L141-W162 WeakPolarHBondContact O-CZ3 3.44Å; L141-I163 HydrophobicContact CB-CD1 4Å; L141-I163 HydrophobicContact CB-CG1 4.25Å; L141-F167 HydrophobicContact CD2-CD2 3.72Å; L141-F167 HydrophobicContact CD2-CE2 3.25Å; L141-F167 HydrophobicContact CD2-CZ 3.8Å; L141-F170 HydrophobicContact CD1-CE2 3.84Å; L141-F170 HydrophobicContact CD1-CZ 3.75Å
142I95.4Very high91.3Very high0 Ų053.5 Ų53.50%028%0.277CS..Hα-helixtrans-61.9-42.1176.7-67160.2000110.4Y138 A139 T140 A145 M146 I159 I181 N184 L185 F191Y138-I142 WeakPolarHBondContact O-CD1 3.29Å; Y138-I142 VanDerWaalsContact O-CG1 3.26Å; Y138-I142 WeakPolarHBondContact O-CG1 3.49Å; Y138-I142 PolarHBondContact O-N 2.85Å; A139-I142 PolarHBondContact O-N 3.39Å; A139-I142 VanDerWaalsContact O-N 3.16Å; T140-I142 PolarHBondContact O-N 3.15Å; I142-A145 WeakPolarHBondContact O-CB 3.5Å; I142-A145 PolarHBondContact O-N 3.36Å; I142-M146 HydrophobicContact CG2-CE 3.74Å; I142-M146 HydrophobicContact CG2-SD 3.95Å; I142-M146 WeakPolarHBondContact O-CG 3.32Å; I142-M146 PolarHBondContact O-N 3.25Å; I142-I159 HydrophobicContact CG1-CG2 4.12Å; I142-I159 HydrophobicContact CG2-CD1 4.21Å; I142-I181 HydrophobicContact CD1-CD1 4.39Å; I142-I181 HydrophobicContact CD1-CG2 4.37Å; I142-I181 HydrophobicContact CG1-CD1 4.17Å; I142-I181 HydrophobicContact CG1-CG2 4.39Å; I142-N184 HydrophobicContact CD1-CB 3.95Å; I142-L185 HydrophobicContact CD1-CD2 3.95Å; I142-L185 HydrophobicContact CD1-CG 3.95Å; I142-L185 HydrophobicContact CG1-CD2 4.45Å; I142-L185 HydrophobicContact CG2-CD2 3.82Å; I142-F191 HydrophobicContact CB-CE1 4.17Å; I142-F191 HydrophobicContact CB-CE2 4.3Å; I142-F191 HydrophobicContact CB-CZ 3.77Å; I142-F191 HydrophobicContact CD1-CE2 3.99Å; I142-F191 HydrophobicContact CD1-CZ 4.34Å; I142-F191 HydrophobicContact CG2-CD1 3.95Å; I142-F191 HydrophobicContact CG2-CE1 3.45Å; I142-F191 VanDerWaalsContact CG2-CE1 3.45Å; I142-F191 HydrophobicContact CG2-CE2 4.11Å; I142-F191 HydrophobicContact CG2-CG 4.46Å; I142-F191 HydrophobicContact CG2-CZ 3.54Å
143C92.9Very high91.5Very high2 Ų253.1 Ų53.11%0.01427%0.272CS..Hα-helixtrans-64.1-46.3-179.6-55.90000112.1A139 T140 L141 A145 M146 E147 L217A139-C143 PolarHBondContact O-N 2.89Å; A139-C143 PolarHBondContact O-SG 2.77Å; T140-C143 PolarHBondContact O-N 2.98Å; L141-C143 VanDerWaalsContact C-N 3.31Å; L141-C143 PolarHBondContact O-N 2.88Å; C143-A145 VanDerWaalsContact C-N 3.26Å; C143-A145 PolarHBondContact O-N 3.43Å; C143-M146 PolarHBondContact O-N 3.39Å; C143-M146 VanDerWaalsContact O-N 3.15Å; C143-E147 WeakPolarHBondContact O-CB 3.48Å; C143-E147 PolarHBondContact O-N 3.04Å; C143-L217 HydrophobicContact CB-CD2 3.6Å; C143-L217 WeakPolarHBondContact SG-CD1 3.24Å; C143-L217 WeakPolarHBondContact SG-CD2 3.32Å
144M93.1Very high91.8Very high28 Ų2848.4 Ų48.414%0.13825%0.251CS..Hα-helixtrans-61.6-37176.5-67-175.4-65.600111.7Y136 T140 L141 E147 A148 W162 F167 F222Y136-M144 HydrophobicContact CD1-CE 4.34Å; Y136-M144 HydrophobicContact CD2-CE 3.99Å; Y136-M144 HydrophobicContact CE2-CE 4.43Å; Y136-M144 HydrophobicContact CG-CE 3.95Å; T140-M144 HydrophobicContact CG2-CE 4.17Å; T140-M144 WeakPolarHBondContact O-CG 3.5Å; T140-M144 PolarHBondContact O-N 3.47Å; L141-M144 HydrophobicContact CD2-CE 3.69Å; L141-M144 HydrophobicContact CG-CE 4.47Å; L141-M144 PolarHBondContact O-N 3.03Å; M144-E147 PolarHBondContact O-N 3.09Å; M144-A148 VanDerWaalsContact O-CB 3.31Å; M144-A148 WeakPolarHBondContact O-CB 3.33Å; M144-A148 PolarHBondContact O-N 2.98Å; M144-W162 HydrophobicContact CB-CH2 3.19Å; M144-W162 HydrophobicContact CB-CZ2 3.77Å; M144-W162 HydrophobicContact CB-CZ3 3.79Å; M144-W162 HydrophobicContact CE-CH2 4.16Å; M144-W162 HydrophobicContact CE-CZ3 4.44Å; M144-W162 HydrophobicContact CG-CH2 4.3Å; M144-W162 HydrophobicContact SD-CH2 4.35Å; M144-F167 HydrophobicContact CE-CE2 4.05Å; M144-F167 HydrophobicContact CE-CZ 3.82Å; M144-F222 HydrophobicContact CG-CE1 3.97Å
145A94.9Very high92.1Very high0 Ų049.2 Ų49.20%026%0.256CS..Hα-helixtrans-63.8-42.1174.300000112.6L141 I142 C143 S149 I154 W162L141-A145 PolarHBondContact O-N 3.4Å; L141-A145 VanDerWaalsContact O-N 3.09Å; I142-A145 WeakPolarHBondContact O-CB 3.5Å; I142-A145 PolarHBondContact O-N 3.36Å; C143-A145 VanDerWaalsContact C-N 3.26Å; C143-A145 PolarHBondContact O-N 3.43Å; A145-S149 PolarHBondContact O-N 3.31Å; A145-I154 HydrophobicContact CB-CD1 4.27Å; A145-W162 VanDerWaalsContact CA-CD2 3.44Å; A145-W162 HydrophobicContact CB-CB 3.96Å; A145-W162 HydrophobicContact CB-CD2 3.6Å; A145-W162 HydrophobicContact CB-CE3 3.46Å; A145-W162 VanDerWaalsContact CB-CE3 3.46Å; A145-W162 HydrophobicContact CB-CG 3.8Å; A145-W162 HydrophobicContact CB-CZ3 4.21Å
146M93.1Very high92.4Very high15 Ų1548.5 Ų48.57%0.07425%0.249CC..Hα-helixtrans-64.8-44.8177.5-74.9172.517100111.5I142 C143 S149 I154 F191 W207 I209I142-M146 HydrophobicContact CG2-CE 3.74Å; I142-M146 HydrophobicContact CG2-SD 3.95Å; I142-M146 WeakPolarHBondContact O-CG 3.32Å; I142-M146 PolarHBondContact O-N 3.25Å; C143-M146 PolarHBondContact O-N 3.39Å; C143-M146 VanDerWaalsContact O-N 3.15Å; M146-S149 WeakPolarHBondContact O-CB 3.3Å; M146-S149 PolarHBondContact O-N 2.94Å; M146-I154 HydrophobicContact CE-CG2 3.62Å; M146-I154 HydrophobicContact CG-CB 4.4Å; M146-I154 HydrophobicContact CG-CG2 3.54Å; M146-I154 HydrophobicContact SD-CG2 4.42Å; M146-F191 HydrophobicContact CE-CD1 3.85Å; M146-F191 HydrophobicContact CE-CE1 4.29Å; M146-F191 HydrophobicContact SD-CD1 3.97Å; M146-F191 HydrophobicContact SD-CE1 3.95Å; M146-W207 HydrophobicContact CE-CB 3.78Å; M146-I209 HydrophobicContact CB-CD1 4.21Å; M146-I209 HydrophobicContact CB-CG1 4.5Å; M146-I209 HydrophobicContact SD-CD1 3.93Å; M146-I209 HydrophobicContact SD-CG1 3.33Å; M146-I209 WeakPolarHBondContact SD-CG1 3.44Å
147E90.7Very high92.7Very high112 Ų11249.4 Ų49.452%0.52326%0.264SS..Hα-helixtrans-62.6-44.2178.1-171.4176-178.400111.8C143 M144 S149 K150 M218 F222C143-E147 WeakPolarHBondContact O-CB 3.48Å; C143-E147 PolarHBondContact O-N 3.04Å; M144-E147 PolarHBondContact O-N 3.09Å; E147-S149 VanDerWaalsContact C-N 3.29Å; E147-S149 PolarHBondContact O-N 3.28Å; E147-K150 PolarHBondContact O-N 2.73Å; E147-M218 WeakPolarHBondContact OE2-CE 3.42Å; E147-F222 WeakPolarHBondContact OE2-CZ 3.41Å
148A91.6Very high92.9Very high54 Ų5450.2 Ų50.245%0.44627%0.272SS..Hα-helixtrans-67.1-27.2179.200000114M144 K150 W162M144-A148 VanDerWaalsContact O-CB 3.31Å; M144-A148 WeakPolarHBondContact O-CB 3.33Å; M144-A148 PolarHBondContact O-N 2.98Å; A148-K150 PolarHBondContact O-N 3Å; A148-W162 HydrophobicContact CB-CZ2 4.36Å
149S87.8Confident92.9Very high37 Ų3747.8 Ų47.826%0.25926%0.262SS..THydrogen-bonded Turntrans-67.3-20.1-179.5-174.70000112.6A145 M146 E147 K151A145-S149 PolarHBondContact O-N 3.31Å; M146-S149 WeakPolarHBondContact O-CB 3.3Å; M146-S149 PolarHBondContact O-N 2.94Å; E147-S149 VanDerWaalsContact C-N 3.29Å; E147-S149 PolarHBondContact O-N 3.28Å; S149-K151 WeakPolarHBondContact O-CG 3.08Å; S149-K151 PolarHBondContact O-N 3.48Å
150K85.9Confident93.1Very high199 Ų19948.5 Ų48.587%0.86526%0.261SS*.  trans53.84.7-171.4-57.4-177.6-179.9-178.50114.7E147 A148E147-K150 PolarHBondContact O-N 2.73Å; A148-K150 PolarHBondContact O-N 3Å
151K85.9Confident93.3Very high153 Ų15354.4 Ų54.467%0.66529%0.286SS*.SBendtrans-99.4148.4178.8-66.9172.7-1751790109.2S149 K153S149-K151 WeakPolarHBondContact O-CG 3.08Å; S149-K151 PolarHBondContact O-N 3.48Å; K151-K153 PolarHBondContact O-N 3.16Å
152T87.6Confident93.3Very high131 Ų13156.6 Ų56.680%0.80429%0.294SS*.SBendtrans-67.3-22177.256.40000113.4K208T152-K208 WeakPolarHBondContact O-CB 3.44Å
153K92.7Very high93.4Very high47 Ų4756.6 Ų56.620%0.20429%0.294CS..  trans-138143.6-177.569.1-175.8-179177.50110.5K151 E200 F206 W207K151-K153 PolarHBondContact O-N 3.16Å; K153-E200 IonicContact NZ-OE1 3.07Å; K153-E200 PolarHBondContact NZ-OE1 3.14Å; K153-E200 VanDerWaalsContact NZ-OE1 3.07Å; K153-E200 IonicContact NZ-OE2 2.87Å; K153-E200 PolarHBondContact NZ-OE2 3.32Å; K153-F206 HydrophobicContact CB-CB 4.01Å; K153-F206 HydrophobicContact CB-CD1 4.27Å; K153-F206 HydrophobicContact CB-CG 4.31Å; K153-F206 HydrophobicContact CD-CB 4.11Å; K153-F206 HydrophobicContact CD-CD1 3.95Å; K153-F206 HydrophobicContact CD-CD2 3.9Å; K153-F206 HydrophobicContact CD-CE1 4.29Å; K153-F206 HydrophobicContact CD-CE2 4.25Å; K153-F206 HydrophobicContact CD-CG 3.74Å; K153-F206 HydrophobicContact CD-CZ 4.42Å; K153-F206 HydrophobicContact CG-CB 4.22Å; K153-F206 HydrophobicContact CG-CD1 3.77Å; K153-F206 HydrophobicContact CG-CE1 4.23Å; K153-F206 HydrophobicContact CG-CG 3.97Å; K153-W207 WeakPolarHBondContact CA-O 3.31Å
154I95.6Very high93.5Very high7 Ų758 Ų584%0.03630%0.303CS..EExtended strand (participates in β ladder)trans-128.9150.5-179.6-165.1168.5000110.9A145 M146 A158 I159 F206 W207A145-I154 HydrophobicContact CB-CD1 4.27Å; M146-I154 HydrophobicContact CE-CG2 3.62Å; M146-I154 HydrophobicContact CG-CB 4.4Å; M146-I154 HydrophobicContact CG-CG2 3.54Å; M146-I154 HydrophobicContact SD-CG2 4.42Å; I154-A158 HydrophobicContact CD1-CB 4.02Å; I154-A158 HydrophobicContact CG1-CB 3.61Å; I154-I159 HydrophobicContact CD1-CG1 3.93Å; I154-I159 HydrophobicContact CG1-CG1 4.19Å; I154-I159 HydrophobicContact CG2-CD1 3.92Å; I154-I159 HydrophobicContact CG2-CG1 3.88Å; I154-F206 CarbonylContact O-C 3.57Å; I154-F206 WeakPolarHBondContact O-CA 3.47Å; I154-W207 HydrophobicContact CG2-CB 4.41Å; I154-W207 PolarHBondContact N-O 2.91Å; I154-W207 PolarHBondContact O-N 2.98Å
155T96.4Very high93.6Very high24 Ų2460.5 Ų60.515%0.14732%0.317CS..EExtended strand (participates in β ladder)trans-89.3157.2173.962.90000111.1S157 A158 I159 F206T155-S157 VanDerWaalsContact C-N 3.26Å; T155-S157 PolarHBondContact O-N 2.88Å; T155-S157 PolarHBondContact OG1-OG 2.77Å; T155-A158 PolarHBondContact O-N 3.19Å; T155-A158 VanDerWaalsContact O-N 3.14Å; T155-A158 WeakPolarHBondContact OG1-CB 3.28Å; T155-A158 PolarHBondContact OG1-N 3.02Å; T155-I159 WeakPolarHBondContact O-CG1 3.15Å; T155-I159 PolarHBondContact O-N 2.96Å; T155-I159 VanDerWaalsContact O-N 3.12Å; T155-F206 HydrophobicContact CG2-CD1 3.66Å; T155-F206 HydrophobicContact CG2-CE1 3.53Å; T155-F206 HydrophobicContact CG2-CZ 4.42Å
156L96.6Very high93.5Very high46 Ų4662.4 Ų62.424%0.24133%0.327CS..Hα-helixtrans-56.5-41.5173.5-179.762.8000112.3A158 I159 Y160 I181 R182 L185L156-A158 VanDerWaalsContact C-N 3.32Å; L156-A158 PolarHBondContact O-N 3.09Å; L156-I159 WeakPolarHBondContact O-CB 3.45Å; L156-I159 PolarHBondContact O-N 3Å; L156-Y160 HydrophobicContact CD1-CD1 4.44Å; L156-Y160 HydrophobicContact CD1-CE1 3.67Å; L156-Y160 HydrophobicContact CD1-CE2 4.16Å; L156-Y160 HydrophobicContact CD2-CE2 4.09Å; L156-Y160 HydrophobicContact CG-CD2 4.41Å; L156-Y160 HydrophobicContact CG-CE1 4.14Å; L156-Y160 HydrophobicContact CG-CE2 3.68Å; L156-Y160 PolarHBondContact O-N 3.28Å; L156-Y160 VanDerWaalsContact O-N 3.11Å; L156-I181 HydrophobicContact CD1-CG2 4.1Å; L156-R182 HydrophobicContact CD1-CG 4.18Å; L156-R182 HydrophobicContact CD2-CG 3.9Å; L156-L185 HydrophobicContact CD1-CD1 3.53Å
157S96.4Very high93.6Very high81 Ų8162.3 Ų62.357%0.56633%0.326SS*.Hα-helixtrans-61.6-39.117755.10000112.6T155 Y160 K161T155-S157 VanDerWaalsContact C-N 3.26Å; T155-S157 PolarHBondContact O-N 2.88Å; T155-S157 PolarHBondContact OG1-OG 2.77Å; S157-Y160 PolarHBondContact O-N 3.13Å; S157-K161 PolarHBondContact O-N 2.83Å
158A96.1Very high93.7Very high35 Ų3557.4 Ų57.429%0.28930%0.304SS..Hα-helixtrans-68.9-34.3177.600000112I154 T155 L156 K161 W162I154-A158 HydrophobicContact CD1-CB 4.02Å; I154-A158 HydrophobicContact CG1-CB 3.61Å; T155-A158 PolarHBondContact O-N 3.19Å; T155-A158 VanDerWaalsContact O-N 3.14Å; T155-A158 WeakPolarHBondContact OG1-CB 3.28Å; T155-A158 PolarHBondContact OG1-N 3.02Å; L156-A158 VanDerWaalsContact C-N 3.32Å; L156-A158 PolarHBondContact O-N 3.09Å; A158-K161 PolarHBondContact O-N 3.19Å; A158-W162 WeakPolarHBondContact O-CB 3.33Å; A158-W162 PolarHBondContact O-N 3.47Å
159I97.2Very high93.9Very high0 Ų058.1 Ų58.10%030%0.296CS..Hα-helixtrans-62.6-46.8172.8-63.1167000110.2I142 I154 T155 L156 K161 W162 I163 I181 L185I142-I159 HydrophobicContact CG1-CG2 4.12Å; I142-I159 HydrophobicContact CG2-CD1 4.21Å; I154-I159 HydrophobicContact CD1-CG1 3.93Å; I154-I159 HydrophobicContact CG1-CG1 4.19Å; I154-I159 HydrophobicContact CG2-CD1 3.92Å; I154-I159 HydrophobicContact CG2-CG1 3.88Å; T155-I159 WeakPolarHBondContact O-CG1 3.15Å; T155-I159 PolarHBondContact O-N 2.96Å; T155-I159 VanDerWaalsContact O-N 3.12Å; L156-I159 WeakPolarHBondContact O-CB 3.45Å; L156-I159 PolarHBondContact O-N 3Å; I159-K161 PolarHBondContact O-N 3.48Å; I159-W162 PolarHBondContact O-N 3.09Å; I159-I163 HydrophobicContact CG2-CD1 3.79Å; I159-I163 HydrophobicContact CG2-CG1 4.45Å; I159-I163 VanDerWaalsContact O-CG1 3.29Å; I159-I163 WeakPolarHBondContact O-CG1 3.21Å; I159-I163 PolarHBondContact O-N 2.94Å; I159-I181 HydrophobicContact CG2-CG2 4Å; I159-L185 HydrophobicContact CD1-CD1 4.01Å; I159-L185 HydrophobicContact CD1-CD2 4.07Å
160Y96.9Very high94.2Very high34 Ų3456.6 Ų56.613%0.13328%0.284CS..Hα-helixtrans-58.3-50.4177.5-61.5-27.2000111.7L156 S157 W162 I163 T164 W177 Q178 I181 R182L156-Y160 HydrophobicContact CD1-CD1 4.44Å; L156-Y160 HydrophobicContact CD1-CE1 3.67Å; L156-Y160 HydrophobicContact CD1-CE2 4.16Å; L156-Y160 HydrophobicContact CD2-CE2 4.09Å; L156-Y160 HydrophobicContact CG-CD2 4.41Å; L156-Y160 HydrophobicContact CG-CE1 4.14Å; L156-Y160 HydrophobicContact CG-CE2 3.68Å; L156-Y160 PolarHBondContact O-N 3.28Å; L156-Y160 VanDerWaalsContact O-N 3.11Å; S157-Y160 PolarHBondContact O-N 3.13Å; Y160-W162 PolarHBondContact O-N 3.48Å; Y160-I163 PolarHBondContact O-N 2.75Å; Y160-T164 PolarHBondContact O-N 2.9Å; Y160-T164 PolarHBondContact O-OG1 3.29Å; Y160-T164 VanDerWaalsContact O-OG1 3.13Å; Y160-W177 HydrophobicContact CD1-CH2 4.1Å; Y160-W177 AromaticContact CD1-CZ3 3.92Å; Y160-W177 HydrophobicContact CD1-CZ3 3.92Å; Y160-W177 HydrophobicContact CG-CH2 4.44Å; Y160-Q178 HydrophobicContact CD1-CB 4.5Å; Y160-Q178 HydrophobicContact CD1-CG 4.28Å; Y160-Q178 HydrophobicContact CE1-CB 3.85Å; Y160-Q178 HydrophobicContact CE1-CG 4.12Å; Y160-Q178 PolarHBondContact OH-O 3.47Å; Y160-I181 HydrophobicContact CD1-CG2 4.26Å; Y160-I181 HydrophobicContact CE1-CB 3.93Å; Y160-I181 HydrophobicContact CE1-CG1 4.46Å; Y160-I181 HydrophobicContact CE1-CG2 3.72Å; Y160-R182 WeakPolarHBondContact OH-CG 3.47Å; Y160-R182 PolarHBondContact OH-NH1 3.03Å; Y160-R182 VanDerWaalsContact OH-NH1 3.13Å
161K96.9Very high94.6Very high137 Ų13753 Ų5360%0.59627%0.266SS*.Hα-helixtrans-58.2-48.1178.9178.2167.5-179.4160.20111.7S157 A158 I159 I163 T164 D165S157-K161 PolarHBondContact O-N 2.83Å; A158-K161 PolarHBondContact O-N 3.19Å; I159-K161 PolarHBondContact O-N 3.48Å; K161-I163 VanDerWaalsContact C-N 3.33Å; K161-I163 PolarHBondContact O-N 3.11Å; K161-T164 WeakPolarHBondContact CA-OG1 3.4Å; K161-T164 PolarHBondContact O-N 2.97Å; K161-T164 PolarHBondContact O-OG1 3.33Å; K161-D165 WeakPolarHBondContact CE-OD2 3.28Å; K161-D165 VanDerWaalsContact CG-OD2 3.3Å; K161-D165 WeakPolarHBondContact CG-OD2 3.5Å; K161-D165 VanDerWaalsContact O-CB 3.29Å; K161-D165 WeakPolarHBondContact O-CB 3.29Å; K161-D165 PolarHBondContact O-N 3.27Å
162W96.4Very high94.8Very high46 Ų4652.5 Ų52.517%0.17427%0.265CS..Hα-helixtrans-61.7-42-179.7-175.692.5000112L141 M144 A145 A148 A158 I159 Y160 D165 N166 F167L141-W162 WeakPolarHBondContact O-CZ3 3.44Å; M144-W162 HydrophobicContact CB-CH2 3.19Å; M144-W162 HydrophobicContact CB-CZ2 3.77Å; M144-W162 HydrophobicContact CB-CZ3 3.79Å; M144-W162 HydrophobicContact CE-CH2 4.16Å; M144-W162 HydrophobicContact CE-CZ3 4.44Å; M144-W162 HydrophobicContact CG-CH2 4.3Å; M144-W162 HydrophobicContact SD-CH2 4.35Å; A145-W162 VanDerWaalsContact CA-CD2 3.44Å; A145-W162 HydrophobicContact CB-CB 3.96Å; A145-W162 HydrophobicContact CB-CD2 3.6Å; A145-W162 HydrophobicContact CB-CE3 3.46Å; A145-W162 VanDerWaalsContact CB-CE3 3.46Å; A145-W162 HydrophobicContact CB-CG 3.8Å; A145-W162 HydrophobicContact CB-CZ3 4.21Å; A148-W162 HydrophobicContact CB-CZ2 4.36Å; A158-W162 WeakPolarHBondContact O-CB 3.33Å; A158-W162 PolarHBondContact O-N 3.47Å; I159-W162 PolarHBondContact O-N 3.09Å; Y160-W162 PolarHBondContact O-N 3.48Å; W162-D165 PolarHBondContact O-N 3.5Å; W162-N166 HydrophobicContact CH2-CB 4.36Å; W162-N166 HydrophobicContact CZ2-CB 4.33Å; W162-N166 PolarHBondContact NE1-ND2 3.01Å; W162-N166 VanDerWaalsContact NE1-ND2 3.18Å; W162-N166 WeakPolarHBondContact O-CB 3.47Å; W162-N166 PolarHBondContact O-N 3.16Å; W162-N166 PolarHBondContact O-ND2 2.78Å; W162-F167 AromaticContact CH2-CE2 3.9Å; W162-F167 HydrophobicContact CH2-CE2 3.9Å; W162-F167 HydrophobicContact CZ3-CD2 4.44Å; W162-F167 AromaticContact CZ3-CE2 3.75Å; W162-F167 HydrophobicContact CZ3-CE2 3.75Å
163I96.5Very high95Very high0 Ų047.5 Ų47.50%024%0.237CC..Hα-helixtrans-64-46.5178.7-68172.1000110.6L141 I159 Y160 K161 D165 N166 F167 F170 W177 I181L141-I163 HydrophobicContact CB-CD1 4Å; L141-I163 HydrophobicContact CB-CG1 4.25Å; I159-I163 HydrophobicContact CG2-CD1 3.79Å; I159-I163 HydrophobicContact CG2-CG1 4.45Å; I159-I163 VanDerWaalsContact O-CG1 3.29Å; I159-I163 WeakPolarHBondContact O-CG1 3.21Å; I159-I163 PolarHBondContact O-N 2.94Å; Y160-I163 PolarHBondContact O-N 2.75Å; K161-I163 VanDerWaalsContact C-N 3.33Å; K161-I163 PolarHBondContact O-N 3.11Å; I163-D165 VanDerWaalsContact C-N 3.32Å; I163-D165 PolarHBondContact O-N 3.05Å; I163-N166 PolarHBondContact O-N 2.99Å; I163-F167 HydrophobicContact CG2-CD2 4.42Å; I163-F167 WeakPolarHBondContact O-CB 3.45Å; I163-F167 PolarHBondContact O-N 3.11Å; I163-F170 HydrophobicContact CG2-CB 3.89Å; I163-F170 HydrophobicContact CG2-CD1 4.43Å; I163-F170 HydrophobicContact CG2-CD2 3.45Å; I163-F170 VanDerWaalsContact CG2-CD2 3.45Å; I163-F170 HydrophobicContact CG2-CE2 4.04Å; I163-F170 HydrophobicContact CG2-CG 3.68Å; I163-W177 HydrophobicContact CB-CZ3 4.39Å; I163-W177 HydrophobicContact CD1-CZ3 4.26Å; I163-W177 HydrophobicContact CG2-CH2 4.41Å; I163-W177 HydrophobicContact CG2-CZ3 4.15Å; I163-I181 HydrophobicContact CD1-CD1 3.53Å; I163-I181 HydrophobicContact CD1-CG1 4.17Å
164T95.6Very high95Very high32 Ų3251.1 Ų51.120%0.19626%0.259CS..Hα-helixtrans-65.2-36.8178.1520000111.8Y160 K161 R171 W177Y160-T164 PolarHBondContact O-N 2.9Å; Y160-T164 PolarHBondContact O-OG1 3.29Å; Y160-T164 VanDerWaalsContact O-OG1 3.13Å; K161-T164 WeakPolarHBondContact CA-OG1 3.4Å; K161-T164 PolarHBondContact O-N 2.97Å; K161-T164 PolarHBondContact O-OG1 3.33Å; T164-R171 VanDerWaalsContact O-CG 3.28Å; T164-R171 WeakPolarHBondContact O-CG 3.44Å; T164-R171 PolarHBondContact O-NE 3.3Å; T164-W177 HydrophobicContact CG2-CH2 3.97Å; T164-W177 HydrophobicContact CG2-CZ2 3.74Å
165D94.9Very high94.9Very high81 Ų8155.2 Ų55.243%0.43329%0.285SS..Hα-helixtrans-69.2-36-178.9-68.8-6.7000111.5K161 W162 I163 R171K161-D165 WeakPolarHBondContact CE-OD2 3.28Å; K161-D165 VanDerWaalsContact CG-OD2 3.3Å; K161-D165 WeakPolarHBondContact CG-OD2 3.5Å; K161-D165 VanDerWaalsContact O-CB 3.29Å; K161-D165 WeakPolarHBondContact O-CB 3.29Å; K161-D165 PolarHBondContact O-N 3.27Å; W162-D165 PolarHBondContact O-N 3.5Å; I163-D165 VanDerWaalsContact C-N 3.32Å; I163-D165 PolarHBondContact O-N 3.05Å; D165-R171 PolarHBondContact O-NH2 3.01Å
166N93.4Very high94.9Very high39 Ų3958.9 Ų58.921%0.20931%0.308CS..Hα-helixtrans-94-18.8-175.9-71.3-85.9000114.7K127 W162 I163K127-N166 VanDerWaalsContact CG-O 3.31Å; K127-N166 WeakPolarHBondContact CG-O 3.43Å; W162-N166 HydrophobicContact CH2-CB 4.36Å; W162-N166 HydrophobicContact CZ2-CB 4.33Å; W162-N166 PolarHBondContact NE1-ND2 3.01Å; W162-N166 VanDerWaalsContact NE1-ND2 3.18Å; W162-N166 WeakPolarHBondContact O-CB 3.47Å; W162-N166 PolarHBondContact O-N 3.16Å; W162-N166 PolarHBondContact O-ND2 2.78Å; I163-N166 PolarHBondContact O-N 2.99Å
167F94.1Very high94.8Very high13 Ų1357.4 Ų57.46%0.05730%0.299CS..  trans-134.6104.6-174.8-61.8-68.4000110.6Y126 P134 Y136 L141 M144 W162 I163 Y169 F170Y126-F167 WeakPolarHBondContact O-CA 3.49Å; P134-F167 HydrophobicContact CB-CD1 3.78Å; P134-F167 HydrophobicContact CB-CE1 3.83Å; P134-F167 HydrophobicContact CB-CG 4.49Å; P134-F167 HydrophobicContact CG-CB 3.93Å; P134-F167 HydrophobicContact CG-CD1 3.21Å; P134-F167 HydrophobicContact CG-CE1 3.82Å; P134-F167 HydrophobicContact CG-CG 3.68Å; Y136-F167 AromaticContact CD2-CE1 3.96Å; Y136-F167 HydrophobicContact CD2-CE1 3.96Å; Y136-F167 AromaticContact CD2-CZ 3.86Å; Y136-F167 HydrophobicContact CD2-CZ 3.86Å; Y136-F167 AromaticContact CE2-CE1 3.92Å; Y136-F167 HydrophobicContact CE2-CE1 3.92Å; Y136-F167 HydrophobicContact CE2-CZ 4Å; L141-F167 HydrophobicContact CD2-CD2 3.72Å; L141-F167 HydrophobicContact CD2-CE2 3.25Å; L141-F167 HydrophobicContact CD2-CZ 3.8Å; M144-F167 HydrophobicContact CE-CE2 4.05Å; M144-F167 HydrophobicContact CE-CZ 3.82Å; W162-F167 AromaticContact CH2-CE2 3.9Å; W162-F167 HydrophobicContact CH2-CE2 3.9Å; W162-F167 HydrophobicContact CZ3-CD2 4.44Å; W162-F167 AromaticContact CZ3-CE2 3.75Å; W162-F167 HydrophobicContact CZ3-CE2 3.75Å; I163-F167 HydrophobicContact CG2-CD2 4.42Å; I163-F167 WeakPolarHBondContact O-CB 3.45Å; I163-F167 PolarHBondContact O-N 3.11Å; F167-Y169 PolarHBondContact O-N 2.97Å; F167-F170 HydrophobicContact CB-CD2 3.65Å; F167-F170 HydrophobicContact CB-CE2 4.17Å; F167-F170 HydrophobicContact CG-CD2 4.39Å; F167-F170 PolarHBondContact O-N 2.96Å; F167-F170 VanDerWaalsContact O-N 3.09Å
168C93.5Very high94.9Very high9 Ų956.5 Ų56.56%0.06129%0.286CS..THydrogen-bonded Turntrans-58-36.2-174.5-167.60000112.5Y126 K127 T128 F170 R171Y126-C168 PolarHBondContact O-N 3.19Å; K127-C168 WeakPolarHBondContact O-CB 3.49Å; T128-C168 PolarHBondContact O-SG 3.42Å; C168-F170 PolarHBondContact O-N 3.19Å; C168-F170 VanDerWaalsContact O-N 3.16Å; C168-R171 WeakPolarHBondContact O-CB 3.32Å; C168-R171 PolarHBondContact O-N 2.97Å
169Y94.4Very high94.9Very high70 Ų7059.1 Ų59.128%0.27530%0.295SS..Hα-helixtrans-47.5-44.2174.9174.9-91.3000113.3P130 K133 F167 R171 H172 A173P130-Y169 WeakPolarHBondContact O-CA 3.47Å; P130-Y169 WeakPolarHBondContact O-CD2 3.17Å; K133-Y169 HydrophobicContact CB-CD1 4.36Å; K133-Y169 HydrophobicContact CB-CD2 4.08Å; K133-Y169 HydrophobicContact CB-CE1 4.25Å; K133-Y169 HydrophobicContact CB-CE2 3.93Å; K133-Y169 HydrophobicContact CB-CG 4.29Å; K133-Y169 HydrophobicContact CD-CE1 4.18Å; K133-Y169 HydrophobicContact CG-CD1 4.17Å; K133-Y169 HydrophobicContact CG-CE1 3.95Å; K133-Y169 HydrophobicContact CG-CE2 4.49Å; F167-Y169 PolarHBondContact O-N 2.97Å; Y169-R171 VanDerWaalsContact C-N 3.29Å; Y169-R171 PolarHBondContact O-N 2.82Å; Y169-H172 PolarHBondContact O-N 3.33Å; Y169-A173 HydrophobicContact CD1-CB 4.36Å; Y169-A173 HydrophobicContact CE1-CB 3.95Å; Y169-A173 VanDerWaalsContact O-CB 3.32Å; Y169-A173 WeakPolarHBondContact O-CB 3.16Å; Y169-A173 PolarHBondContact O-N 2.66Å; Y169-A173 VanDerWaalsContact O-N 3.12Å
170F94.6Very high95Very high5 Ų560.7 Ų60.72%0.02231%0.307CS..Hα-helixtrans-79-10-175.7-65.3-74.4000114P134 Y138 L141 I163 F167 C168 W177P134-F170 HydrophobicContact CG-CE2 4.05Å; Y138-F170 HydrophobicContact CE1-CE1 4.12Å; Y138-F170 HydrophobicContact CE1-CZ 4.43Å; L141-F170 HydrophobicContact CD1-CE2 3.84Å; L141-F170 HydrophobicContact CD1-CZ 3.75Å; I163-F170 HydrophobicContact CG2-CB 3.89Å; I163-F170 HydrophobicContact CG2-CD1 4.43Å; I163-F170 HydrophobicContact CG2-CD2 3.45Å; I163-F170 VanDerWaalsContact CG2-CD2 3.45Å; I163-F170 HydrophobicContact CG2-CE2 4.04Å; I163-F170 HydrophobicContact CG2-CG 3.68Å; F167-F170 HydrophobicContact CB-CD2 3.65Å; F167-F170 HydrophobicContact CB-CE2 4.17Å; F167-F170 HydrophobicContact CG-CD2 4.39Å; F167-F170 PolarHBondContact O-N 2.96Å; F167-F170 VanDerWaalsContact O-N 3.09Å; C168-F170 PolarHBondContact O-N 3.19Å; C168-F170 VanDerWaalsContact O-N 3.16Å; F170-W177 HydrophobicContact CB-CZ2 4.29Å; F170-W177 HydrophobicContact CD1-CB 4.11Å; F170-W177 AromaticContact CD1-CD2 3.88Å; F170-W177 HydrophobicContact CD1-CD2 3.88Å; F170-W177 HydrophobicContact CD1-CE3 4.25Å; F170-W177 AromaticContact CD1-CG 3.8Å; F170-W177 HydrophobicContact CD1-CG 3.8Å; F170-W177 HydrophobicContact CE1-CB 4.24Å; F170-W177 HydrophobicContact CE1-CG 4.4Å; F170-W177 PolarHBondContact O-NE1 3.06Å
171R94.1Very high95Very high124 Ų12459.1 Ų59.147%0.46830%0.3SS..Hα-helixtrans-71.4-33.8173.5-59.8-179.5-174.1166.73.9112T164 D165 C168 Y169T164-R171 VanDerWaalsContact O-CG 3.28Å; T164-R171 WeakPolarHBondContact O-CG 3.44Å; T164-R171 PolarHBondContact O-NE 3.3Å; D165-R171 PolarHBondContact O-NH2 3.01Å; C168-R171 WeakPolarHBondContact O-CB 3.32Å; C168-R171 PolarHBondContact O-N 2.97Å; Y169-R171 VanDerWaalsContact C-N 3.29Å; Y169-R171 PolarHBondContact O-N 2.82Å
172H90.4Very high95Very high141 Ų14157.7 Ų57.765%0.65329%0.291SS*.Hα-helixtrans-110.1-5.4-175.8-56.2-66.1000113.3Y169Y169-H172 PolarHBondContact O-N 3.33Å
173A92Very high95.1Very high26 Ų2660.4 Ų60.422%0.21531%0.306CS..SBendtrans-76.3152.2176.500000112.2Y169Y169-A173 HydrophobicContact CD1-CB 4.36Å; Y169-A173 HydrophobicContact CE1-CB 3.95Å; Y169-A173 VanDerWaalsContact O-CB 3.32Å; Y169-A173 WeakPolarHBondContact O-CB 3.16Å; Y169-A173 PolarHBondContact O-N 2.66Å; Y169-A173 VanDerWaalsContact O-N 3.12Å
174D92.7Very high95.1Very high124 Ų12461.7 Ų61.766%0.66331%0.312SS*.  trans-56.6140.6178.6-59.3-46.5000112.4T176 W177D174-T176 PolarHBondContact O-N 3.09Å; D174-W177 PolarHBondContact O-N 3.42Å
175P93.6Very high95.2Very high92 Ų9260.2 Ų60.260%0.59730%0.303SS*.THydrogen-bonded Turntrans-54.8-12.1-178.9-26.434.1000115.7W177 Q178P175-W177 PolarHBondContact O-N 2.77Å; P175-W177 VanDerWaalsContact O-N 3.12Å; P175-Q178 VanDerWaalsContact O-CB 3.27Å; P175-Q178 WeakPolarHBondContact O-CB 3.26Å; P175-Q178 PolarHBondContact O-N 3.36Å
176T95.9Very high95.2Very high102 Ų10260.5 Ų60.563%0.62631%0.312SS*.Hα-helixtrans-49.1-32.4171.5-520000113.5D174 Q178 N179 S180D174-T176 PolarHBondContact O-N 3.09Å; T176-Q178 PolarHBondContact O-N 3.12Å; T176-N179 WeakPolarHBondContact O-CB 3.44Å; T176-N179 PolarHBondContact O-N 3.28Å; T176-N179 VanDerWaalsContact O-N 3.14Å; T176-S180 PolarHBondContact O-N 2.94Å
177W96.1Very high95.3Very high14 Ų1463.5 Ų63.55%0.05333%0.327CS..Hα-helixtrans-63.1-31.7176.171.1-103.3000112.3Y138 Y160 I163 T164 F170 D174 P175 N179 S180 I181Y138-W177 HydrophobicContact CE1-CB 4.47Å; Y160-W177 HydrophobicContact CD1-CH2 4.1Å; Y160-W177 AromaticContact CD1-CZ3 3.92Å; Y160-W177 HydrophobicContact CD1-CZ3 3.92Å; Y160-W177 HydrophobicContact CG-CH2 4.44Å; I163-W177 HydrophobicContact CB-CZ3 4.39Å; I163-W177 HydrophobicContact CD1-CZ3 4.26Å; I163-W177 HydrophobicContact CG2-CH2 4.41Å; I163-W177 HydrophobicContact CG2-CZ3 4.15Å; T164-W177 HydrophobicContact CG2-CH2 3.97Å; T164-W177 HydrophobicContact CG2-CZ2 3.74Å; F170-W177 HydrophobicContact CB-CZ2 4.29Å; F170-W177 HydrophobicContact CD1-CB 4.11Å; F170-W177 AromaticContact CD1-CD2 3.88Å; F170-W177 HydrophobicContact CD1-CD2 3.88Å; F170-W177 HydrophobicContact CD1-CE3 4.25Å; F170-W177 AromaticContact CD1-CG 3.8Å; F170-W177 HydrophobicContact CD1-CG 3.8Å; F170-W177 HydrophobicContact CE1-CB 4.24Å; F170-W177 HydrophobicContact CE1-CG 4.4Å; F170-W177 PolarHBondContact O-NE1 3.06Å; D174-W177 PolarHBondContact O-N 3.42Å; P175-W177 PolarHBondContact O-N 2.77Å; P175-W177 VanDerWaalsContact O-N 3.12Å; W177-N179 VanDerWaalsContact C-N 3.27Å; W177-N179 PolarHBondContact O-N 3.07Å; W177-S180 WeakPolarHBondContact O-CB 3.46Å; W177-S180 PolarHBondContact O-N 2.97Å; W177-S180 VanDerWaalsContact O-N 3.12Å; W177-I181 HydrophobicContact CE3-CG1 3.84Å; W177-I181 HydrophobicContact CZ3-CG1 3.98Å; W177-I181 PolarHBondContact O-N 3.11Å
178Q97.1Very high95.2Very high62 Ų6265 Ų6529%0.2934%0.336SS..Hα-helixtrans-66.7-31.8177-60.6-177.19.900111.8Y160 P175 T176 I181 R182Y160-Q178 HydrophobicContact CD1-CB 4.5Å; Y160-Q178 HydrophobicContact CD1-CG 4.28Å; Y160-Q178 HydrophobicContact CE1-CB 3.85Å; Y160-Q178 HydrophobicContact CE1-CG 4.12Å; Y160-Q178 PolarHBondContact OH-O 3.47Å; P175-Q178 VanDerWaalsContact O-CB 3.27Å; P175-Q178 WeakPolarHBondContact O-CB 3.26Å; P175-Q178 PolarHBondContact O-N 3.36Å; T176-Q178 PolarHBondContact O-N 3.12Å; Q178-I181 PolarHBondContact O-N 3.38Å; Q178-R182 WeakPolarHBondContact O-CG 3.49Å; Q178-R182 PolarHBondContact O-N 3.27Å
179N97.5Very high95.2Very high90 Ų9072 Ų7248%0.48137%0.365SS..Hα-helixtrans-66.3-41.3172.5-167.338.1000111T176 W177 I181 R182 H183T176-N179 WeakPolarHBondContact O-CB 3.44Å; T176-N179 PolarHBondContact O-N 3.28Å; T176-N179 VanDerWaalsContact O-N 3.14Å; W177-N179 VanDerWaalsContact C-N 3.27Å; W177-N179 PolarHBondContact O-N 3.07Å; N179-I181 VanDerWaalsContact C-N 3.26Å; N179-I181 PolarHBondContact O-N 3.13Å; N179-R182 PolarHBondContact O-N 3.4Å; N179-R182 PolarHBondContact OD1-NH2 3.31Å; N179-H183 WeakPolarHBondContact O-CB 3.11Å; N179-H183 PolarHBondContact O-N 2.85Å
180S97.4Very high95.1Very high34 Ų3469.9 Ų69.924%0.23836%0.36CS..Hα-helixtrans-60.7-36.9174.7-57.60000111.8T176 W177 N184T176-S180 PolarHBondContact O-N 2.94Å; W177-S180 WeakPolarHBondContact O-CB 3.46Å; W177-S180 PolarHBondContact O-N 2.97Å; W177-S180 VanDerWaalsContact O-N 3.12Å; S180-N184 WeakPolarHBondContact O-CB 3.46Å; S180-N184 PolarHBondContact O-N 2.87Å; S180-N184 PolarHBondContact O-ND2 3.34Å
181I97.7Very high95.1Very high0 Ų070 Ų700%036%0.361CS..Hα-helixtrans-64.4-48.6173.7-65.2-66.7000111.5Y138 I142 L156 I159 Y160 I163 W177 Q178 N179 H183 N184 L185Y138-I181 HydrophobicContact CD1-CD1 3.69Å; Y138-I181 HydrophobicContact CD1-CG1 4.36Å; Y138-I181 HydrophobicContact CG-CD1 4.24Å; I142-I181 HydrophobicContact CD1-CD1 4.39Å; I142-I181 HydrophobicContact CD1-CG2 4.37Å; I142-I181 HydrophobicContact CG1-CD1 4.17Å; I142-I181 HydrophobicContact CG1-CG2 4.39Å; L156-I181 HydrophobicContact CD1-CG2 4.1Å; I159-I181 HydrophobicContact CG2-CG2 4Å; Y160-I181 HydrophobicContact CD1-CG2 4.26Å; Y160-I181 HydrophobicContact CE1-CB 3.93Å; Y160-I181 HydrophobicContact CE1-CG1 4.46Å; Y160-I181 HydrophobicContact CE1-CG2 3.72Å; I163-I181 HydrophobicContact CD1-CD1 3.53Å; I163-I181 HydrophobicContact CD1-CG1 4.17Å; W177-I181 HydrophobicContact CE3-CG1 3.84Å; W177-I181 HydrophobicContact CZ3-CG1 3.98Å; W177-I181 PolarHBondContact O-N 3.11Å; Q178-I181 PolarHBondContact O-N 3.38Å; N179-I181 VanDerWaalsContact C-N 3.26Å; N179-I181 PolarHBondContact O-N 3.13Å; I181-H183 VanDerWaalsContact C-N 3.31Å; I181-H183 PolarHBondContact O-N 3.34Å; I181-N184 PolarHBondContact O-N 3.2Å; I181-L185 HydrophobicContact CG2-CD1 4.15Å; I181-L185 WeakPolarHBondContact O-CG 2.95Å; I181-L185 PolarHBondContact O-N 3.18Å
182R97.8Very high95.2Very high108 Ų10866.6 Ų66.641%0.40835%0.352SS..Hα-helixtrans-58.5-45.5177.8-68.4-173.4-62.3-96.67.1111.7L156 Y160 Q178 N179 N184 L185 S186L156-R182 HydrophobicContact CD1-CG 4.18Å; L156-R182 HydrophobicContact CD2-CG 3.9Å; Y160-R182 WeakPolarHBondContact OH-CG 3.47Å; Y160-R182 PolarHBondContact OH-NH1 3.03Å; Y160-R182 VanDerWaalsContact OH-NH1 3.13Å; Q178-R182 WeakPolarHBondContact O-CG 3.49Å; Q178-R182 PolarHBondContact O-N 3.27Å; N179-R182 PolarHBondContact O-N 3.4Å; N179-R182 PolarHBondContact OD1-NH2 3.31Å; R182-N184 PolarHBondContact O-N 3.04Å; R182-L185 PolarHBondContact O-N 3.26Å; R182-S186 PolarHBondContact O-N 3.23Å; R182-S186 PolarHBondContact O-OG 3.46Å
183H97.5Very high95.5Very high102 Ų10266.9 Ų66.947%0.47235%0.351SS..Hα-helixtrans-59.5-43.8176.4172.468.9000112.2N179 I181 L185 S186 L187N179-H183 WeakPolarHBondContact O-CB 3.11Å; N179-H183 PolarHBondContact O-N 2.85Å; I181-H183 VanDerWaalsContact C-N 3.31Å; I181-H183 PolarHBondContact O-N 3.34Å; H183-L185 VanDerWaalsContact C-N 3.35Å; H183-L185 PolarHBondContact O-N 3.49Å; H183-S186 PolarHBondContact O-N 3.1Å; H183-S186 PolarHBondContact O-OG 3.28Å; H183-L187 VanDerWaalsContact CE1-CD1 3.42Å; H183-L187 WeakPolarHBondContact CE1-CD1 3.48Å; H183-L187 VanDerWaalsContact NE2-CD1 3.28Å; H183-L187 WeakPolarHBondContact NE2-CD1 3.46Å; H183-L187 WeakPolarHBondContact O-CB 3.11Å; H183-L187 PolarHBondContact O-N 3.29Å
184N97.3Very high95.6Very high27 Ų2767 Ų6714%0.14435%0.349CS..Hα-helixtrans-66.5-35.3179.3-87.9-94.4000112.9I142 S180 I181 R182 S186 L187 N188I142-N184 HydrophobicContact CD1-CB 3.95Å; S180-N184 WeakPolarHBondContact O-CB 3.46Å; S180-N184 PolarHBondContact O-N 2.87Å; S180-N184 PolarHBondContact O-ND2 3.34Å; I181-N184 PolarHBondContact O-N 3.2Å; R182-N184 PolarHBondContact O-N 3.04Å; N184-S186 VanDerWaalsContact C-N 3.32Å; N184-L187 PolarHBondContact O-N 3.22Å; N184-N188 WeakPolarHBondContact O-CB 3.44Å; N184-N188 PolarHBondContact O-N 3.46Å; N184-N188 VanDerWaalsContact O-N 3.1Å; N184-N188 PolarHBondContact O-ND2 3.01Å; N184-N188 PolarHBondContact OD1-ND2 3.47Å
185L96.8Very high95.6Very high1 Ų166.2 Ų66.21%0.00535%0.35CS..Hα-helixtrans-64.3-37.6175.7-72.8167.5000111.9I142 L156 I159 I181 R182 H183 F191 W207I142-L185 HydrophobicContact CD1-CD2 3.95Å; I142-L185 HydrophobicContact CD1-CG 3.95Å; I142-L185 HydrophobicContact CG1-CD2 4.45Å; I142-L185 HydrophobicContact CG2-CD2 3.82Å; L156-L185 HydrophobicContact CD1-CD1 3.53Å; I159-L185 HydrophobicContact CD1-CD1 4.01Å; I159-L185 HydrophobicContact CD1-CD2 4.07Å; I181-L185 HydrophobicContact CG2-CD1 4.15Å; I181-L185 WeakPolarHBondContact O-CG 2.95Å; I181-L185 PolarHBondContact O-N 3.18Å; R182-L185 PolarHBondContact O-N 3.26Å; H183-L185 VanDerWaalsContact C-N 3.35Å; H183-L185 PolarHBondContact O-N 3.49Å; L185-F191 HydrophobicContact CD2-CB 4.07Å; L185-F191 HydrophobicContact CD2-CD2 4.18Å; L185-F191 HydrophobicContact CD2-CG 4.01Å; L185-W207 HydrophobicContact CB-CD2 4.11Å; L185-W207 HydrophobicContact CB-CE3 3.99Å; L185-W207 HydrophobicContact CB-CH2 3.74Å; L185-W207 HydrophobicContact CB-CZ2 3.87Å; L185-W207 HydrophobicContact CB-CZ3 3.81Å; L185-W207 HydrophobicContact CD1-CD2 4.21Å; L185-W207 HydrophobicContact CD1-CG 4.34Å; L185-W207 HydrophobicContact CD1-CZ2 4.41Å; L185-W207 HydrophobicContact CD2-CB 4.32Å; L185-W207 HydrophobicContact CD2-CD2 3.93Å; L185-W207 HydrophobicContact CD2-CE3 4.04Å; L185-W207 HydrophobicContact CD2-CG 4.05Å; L185-W207 HydrophobicContact CG-CD2 4.31Å; L185-W207 WeakPolarHBondContact O-CZ3 3.19Å
186S96.3Very high95.6Very high87 Ų8764.9 Ų64.961%0.60833%0.333SS*.Hα-helixtrans-81.5-31.3176.151.30000114.2R182 H183 N184R182-S186 PolarHBondContact O-N 3.23Å; R182-S186 PolarHBondContact O-OG 3.46Å; H183-S186 PolarHBondContact O-N 3.1Å; H183-S186 PolarHBondContact O-OG 3.28Å; N184-S186 VanDerWaalsContact C-N 3.32Å
187L94.8Very high95.3Very high102 Ų10265.8 Ų65.853%0.53433%0.33SS..Hα-helixtrans-79.6-40.9-174.3-178.8149.4000112.3H183 N184H183-L187 VanDerWaalsContact CE1-CD1 3.42Å; H183-L187 WeakPolarHBondContact CE1-CD1 3.48Å; H183-L187 VanDerWaalsContact NE2-CD1 3.28Å; H183-L187 WeakPolarHBondContact NE2-CD1 3.46Å; H183-L187 WeakPolarHBondContact O-CB 3.11Å; H183-L187 PolarHBondContact O-N 3.29Å; N184-L187 PolarHBondContact O-N 3.22Å
188N92.8Very high94.8Very high44 Ų4475.2 Ų75.224%0.23537%0.372CS..  trans-87.5121-174.1-65.2-81.1000110.6N184 C190 F191N184-N188 WeakPolarHBondContact O-CB 3.44Å; N184-N188 PolarHBondContact O-N 3.46Å; N184-N188 VanDerWaalsContact O-N 3.1Å; N184-N188 PolarHBondContact O-ND2 3.01Å; N184-N188 PolarHBondContact OD1-ND2 3.47Å; N188-C190 PolarHBondContact O-N 2.73Å; N188-F191 HydrophobicContact CB-CD2 3.86Å; N188-F191 HydrophobicContact CB-CE2 4.07Å; N188-F191 PolarHBondContact O-N 3.1Å
189K92.5Very high94.3Very high156 Ų15679 Ų7968%0.67839%0.394SS*.THydrogen-bonded Turntrans-57.9-18.6175.5-63.3-173.6178.8-175.90114.1F191 Y213K189-F191 PolarHBondContact O-N 3.21Å; K189-Y213 HydrophobicContact CB-CE2 4.27Å
190C92.4Very high93.7Very high26 Ų2678.1 Ų78.118%0.17639%0.387CS..THydrogen-bonded Turntrans-64.5-22.5175.4-53.20000113.1N188 I209 D210 L217N188-C190 PolarHBondContact O-N 2.73Å; C190-I209 CarbonylContact O-C 3.59Å; C190-I209 VanDerWaalsContact O-CA 3.31Å; C190-I209 WeakPolarHBondContact O-CA 3.45Å; C190-D210 PolarHBondContact O-N 2.84Å; C190-L217 HydrophobicContact CB-CD1 3.53Å
191F94.8Very high93Very high9 Ų982.7 Ų82.74%0.03942%0.416CS..EExtended strand (participates in β ladder)trans-110.8126.8-179.9-51.9-57.1000109.7A139 I142 M146 L185 N188 K189 W207 K208 L217A139-F191 HydrophobicContact CB-CE2 4.32Å; A139-F191 HydrophobicContact CB-CZ 4.49Å; I142-F191 HydrophobicContact CB-CE1 4.17Å; I142-F191 HydrophobicContact CB-CE2 4.3Å; I142-F191 HydrophobicContact CB-CZ 3.77Å; I142-F191 HydrophobicContact CD1-CE2 3.99Å; I142-F191 HydrophobicContact CD1-CZ 4.34Å; I142-F191 HydrophobicContact CG2-CD1 3.95Å; I142-F191 HydrophobicContact CG2-CE1 3.45Å; I142-F191 VanDerWaalsContact CG2-CE1 3.45Å; I142-F191 HydrophobicContact CG2-CE2 4.11Å; I142-F191 HydrophobicContact CG2-CG 4.46Å; I142-F191 HydrophobicContact CG2-CZ 3.54Å; M146-F191 HydrophobicContact CE-CD1 3.85Å; M146-F191 HydrophobicContact CE-CE1 4.29Å; M146-F191 HydrophobicContact SD-CD1 3.97Å; M146-F191 HydrophobicContact SD-CE1 3.95Å; L185-F191 HydrophobicContact CD2-CB 4.07Å; L185-F191 HydrophobicContact CD2-CD2 4.18Å; L185-F191 HydrophobicContact CD2-CG 4.01Å; N188-F191 HydrophobicContact CB-CD2 3.86Å; N188-F191 HydrophobicContact CB-CE2 4.07Å; N188-F191 PolarHBondContact O-N 3.1Å; K189-F191 PolarHBondContact O-N 3.21Å; F191-W207 HydrophobicContact CB-CE3 4.19Å; F191-K208 WeakPolarHBondContact CA-O 3.46Å; F191-L217 HydrophobicContact CE1-CD1 4.45Å; F191-L217 HydrophobicContact CZ-CD1 4.4Å
192I95.7Very high92.5Very high52 Ų5285 Ų8527%0.26744%0.44SS..EExtended strand (participates in β ladder)trans-121.4135.3-179.755.9-178.1000109.9W207 K208 D210I192-W207 WeakPolarHBondContact O-CA 3.49Å; I192-K208 HydrophobicContact CD1-CD 4.05Å; I192-K208 HydrophobicContact CD1-CG 3.78Å; I192-K208 HydrophobicContact CG1-CD 4.19Å; I192-K208 HydrophobicContact CG1-CG 3.41Å; I192-K208 VanDerWaalsContact CG1-CG 3.41Å; I192-K208 PolarHBondContact N-O 2.88Å; I192-K208 PolarHBondContact O-N 2.78Å; I192-D210 HydrophobicContact CD1-CB 4.01Å; I192-D210 HydrophobicContact CG1-CB 4.43Å; I192-D210 HydrophobicContact CG2-CB 4.16Å
193K96.4Very high92.1Very high147 Ų14788 Ų8864%0.63946%0.456SS*.EExtended strand (participates in β ladder)trans-77.6125.9177.8-172.9-179.1178.3-174.60109F206 W207K193-F206 CarbonylContact C-O 3.57Å; K193-F206 WeakPolarHBondContact CA-O 3.48Å; K193-W207 HydrophobicContact CB-CE3 4.19Å; K193-W207 HydrophobicContact CB-CH2 4Å; K193-W207 HydrophobicContact CB-CZ2 4.36Å; K193-W207 HydrophobicContact CB-CZ3 3.91Å; K193-W207 HydrophobicContact CG-CZ2 4.41Å
194V94.8Very high91.7Very high29 Ų2985.8 Ų85.818%0.17646%0.462CS..EExtended strand (participates in β ladder)trans-107.7123.3177.8-1710000108.2F206 K208V194-F206 HydrophobicContact CB-CB 4.11Å; V194-F206 PolarHBondContact N-O 3.26Å; V194-F206 PolarHBondContact O-N 3.28Å; V194-K208 HydrophobicContact CG2-CB 4.15Å; V194-K208 HydrophobicContact CG2-CD 3.49Å; V194-K208 VanDerWaalsContact CG2-CD 3.49Å; V194-K208 HydrophobicContact CG2-CG 3.47Å; V194-K208 VanDerWaalsContact CG2-CG 3.47Å
195P93.4Very high91.5Very high106 Ų10685.2 Ų85.269%0.68846%0.462SS*.PPolyproline II helixtrans-55.9148.3170.6-23.534.2000111.1
196R92.3Very high91.5Very high64 Ų6486.1 Ų86.124%0.24247%0.465CS..PPolyproline II helixtrans-72144.8169.3-65.6-169.4173.4-96.1-2109.1G202 K203 G204 F206R196-G202 WeakPolarHBondContact CD-O 3.21Å; R196-G202 PolarHBondContact NE-O 3.12Å; R196-K203 PolarHBondContact NH2-O 3.03Å; R196-G204 VanDerWaalsContact CD-O 3.24Å; R196-G204 WeakPolarHBondContact CD-O 3.45Å; R196-G204 WeakPolarHBondContact CG-O 3.17Å; R196-G204 PolarHBondContact NE-O 2.79Å; R196-F206 HydrophobicContact CB-CE2 4.43Å; R196-F206 HydrophobicContact CG-CD2 3.89Å; R196-F206 HydrophobicContact CG-CE2 3.75Å
197E90.1Very high91.5Very high121 Ų12183.8 Ų83.857%0.56544%0.444SS*.PPolyproline II helixtrans-68.7152166.2-73.3171.3-162.400109.3D199 E200E197-D199 PolarHBondContact O-N 2.91Å; E197-D199 VanDerWaalsContact O-N 3.15Å; E197-E200 PolarHBondContact O-N 3.12Å
198K85.9Confident91.5Very high212 Ų21283 Ų8392%0.92244%0.435SS*.THydrogen-bonded Turntrans-62.7-21.8-177.6-66.5-177.7179.8179.60112.3
199D86.3Confident91.6Very high142 Ų14282.9 Ų82.976%0.75944%0.435SS*.THydrogen-bonded Turntrans-88.8-7.9-177.5-52.2-51.8000113.5E197 P201E197-D199 PolarHBondContact O-N 2.91Å; E197-D199 VanDerWaalsContact O-N 3.15Å; D199-P201 WeakPolarHBondContact O-CD 3.49Å
200E85.5Confident91.6Very high71 Ų7176.9 Ų76.933%0.33241%0.41SS..SBendtrans-106.689.1179.1-71.4-175.7166.200111.3K153 E197 G202 F206K153-E200 IonicContact NZ-OE1 3.07Å; K153-E200 PolarHBondContact NZ-OE1 3.14Å; K153-E200 VanDerWaalsContact NZ-OE1 3.07Å; K153-E200 IonicContact NZ-OE2 2.87Å; K153-E200 PolarHBondContact NZ-OE2 3.32Å; E197-E200 PolarHBondContact O-N 3.12Å; E200-G202 PolarHBondContact O-N 3.39Å; E200-F206 WeakPolarHBondContact OE2-CE2 3.39Å; E200-F206 VanDerWaalsContact OE2-CZ 3.27Å; E200-F206 WeakPolarHBondContact OE2-CZ 3.32Å
201P81.4Confident91.4Very high130 Ų13080.3 Ų80.384%0.84443%0.432SS*.  trans-63.5130.6176.725.5-33.4000111.3D199D199-P201 WeakPolarHBondContact O-CD 3.49Å
202G88.2Confident91.1Very high50 Ų5087.3 Ų87.352%0.51547%0.465SS..  trans171.3160.9175.200000115.7R196 E200R196-G202 WeakPolarHBondContact CD-O 3.21Å; R196-G202 PolarHBondContact NE-O 3.12Å; E200-G202 PolarHBondContact O-N 3.39Å
203K88.1Confident90.4Very high169 Ų16987.8 Ų87.874%0.73546%0.464SS*.SBendtrans-75.4137.2178.7-171.7172.8-178.2174.40111.5R196R196-K203 PolarHBondContact NH2-O 3.03Å
204G90.4Very high89.7Confident57 Ų5782 Ų8259%0.58844%0.444SS*.SBendtrans77.4-172.517300000114.4R196R196-G204 VanDerWaalsContact CD-O 3.24Å; R196-G204 WeakPolarHBondContact CD-O 3.45Å; R196-G204 WeakPolarHBondContact CG-O 3.17Å; R196-G204 PolarHBondContact NE-O 2.79Å
205G93.5Very high88.9Confident14 Ų1486.3 Ų86.314%0.14447%0.465CS..  trans-104.6177173.700000112.3
206F95.9Very high88.1Confident20 Ų2090.4 Ų90.49%0.08847%0.467CS..EExtended strand (participates in β ladder)trans-94.8160.9168-67-82.2000111K153 I154 T155 K193 V194 R196 E200K153-F206 HydrophobicContact CB-CB 4.01Å; K153-F206 HydrophobicContact CB-CD1 4.27Å; K153-F206 HydrophobicContact CB-CG 4.31Å; K153-F206 HydrophobicContact CD-CB 4.11Å; K153-F206 HydrophobicContact CD-CD1 3.95Å; K153-F206 HydrophobicContact CD-CD2 3.9Å; K153-F206 HydrophobicContact CD-CE1 4.29Å; K153-F206 HydrophobicContact CD-CE2 4.25Å; K153-F206 HydrophobicContact CD-CG 3.74Å; K153-F206 HydrophobicContact CD-CZ 4.42Å; K153-F206 HydrophobicContact CG-CB 4.22Å; K153-F206 HydrophobicContact CG-CD1 3.77Å; K153-F206 HydrophobicContact CG-CE1 4.23Å; K153-F206 HydrophobicContact CG-CG 3.97Å; I154-F206 CarbonylContact O-C 3.57Å; I154-F206 WeakPolarHBondContact O-CA 3.47Å; T155-F206 HydrophobicContact CG2-CD1 3.66Å; T155-F206 HydrophobicContact CG2-CE1 3.53Å; T155-F206 HydrophobicContact CG2-CZ 4.42Å; K193-F206 CarbonylContact C-O 3.57Å; K193-F206 WeakPolarHBondContact CA-O 3.48Å; V194-F206 HydrophobicContact CB-CB 4.11Å; V194-F206 PolarHBondContact N-O 3.26Å; V194-F206 PolarHBondContact O-N 3.28Å; R196-F206 HydrophobicContact CB-CE2 4.43Å; R196-F206 HydrophobicContact CG-CD2 3.89Å; R196-F206 HydrophobicContact CG-CE2 3.75Å; E200-F206 WeakPolarHBondContact OE2-CE2 3.39Å; E200-F206 VanDerWaalsContact OE2-CZ 3.27Å; E200-F206 WeakPolarHBondContact OE2-CZ 3.32Å
207W96.6Very high87.1Confident39 Ų3988.1 Ų88.115%0.14846%0.46CS..EExtended strand (participates in β ladder)trans-125137172.9-66.292.2000108.5M146 K153 I154 L185 F191 I192 K193M146-W207 HydrophobicContact CE-CB 3.78Å; K153-W207 WeakPolarHBondContact CA-O 3.31Å; I154-W207 HydrophobicContact CG2-CB 4.41Å; I154-W207 PolarHBondContact N-O 2.91Å; I154-W207 PolarHBondContact O-N 2.98Å; L185-W207 HydrophobicContact CB-CD2 4.11Å; L185-W207 HydrophobicContact CB-CE3 3.99Å; L185-W207 HydrophobicContact CB-CH2 3.74Å; L185-W207 HydrophobicContact CB-CZ2 3.87Å; L185-W207 HydrophobicContact CB-CZ3 3.81Å; L185-W207 HydrophobicContact CD1-CD2 4.21Å; L185-W207 HydrophobicContact CD1-CG 4.34Å; L185-W207 HydrophobicContact CD1-CZ2 4.41Å; L185-W207 HydrophobicContact CD2-CB 4.32Å; L185-W207 HydrophobicContact CD2-CD2 3.93Å; L185-W207 HydrophobicContact CD2-CE3 4.04Å; L185-W207 HydrophobicContact CD2-CG 4.05Å; L185-W207 HydrophobicContact CG-CD2 4.31Å; L185-W207 WeakPolarHBondContact O-CZ3 3.19Å; F191-W207 HydrophobicContact CB-CE3 4.19Å; I192-W207 WeakPolarHBondContact O-CA 3.49Å; K193-W207 HydrophobicContact CB-CE3 4.19Å; K193-W207 HydrophobicContact CB-CH2 4Å; K193-W207 HydrophobicContact CB-CZ2 4.36Å; K193-W207 HydrophobicContact CB-CZ3 3.91Å; K193-W207 HydrophobicContact CG-CZ2 4.41Å
208K95.1Very high86Confident84 Ų8485.7 Ų85.737%0.36545%0.449SS..EExtended strand (participates in β ladder)trans-130.6159.1172.167.9-179.6175.9-175.20110.1T152 F191 I192 V194T152-K208 WeakPolarHBondContact O-CB 3.44Å; F191-K208 WeakPolarHBondContact CA-O 3.46Å; I192-K208 HydrophobicContact CD1-CD 4.05Å; I192-K208 HydrophobicContact CD1-CG 3.78Å; I192-K208 HydrophobicContact CG1-CD 4.19Å; I192-K208 HydrophobicContact CG1-CG 3.41Å; I192-K208 VanDerWaalsContact CG1-CG 3.41Å; I192-K208 PolarHBondContact N-O 2.88Å; I192-K208 PolarHBondContact O-N 2.78Å; V194-K208 HydrophobicContact CG2-CB 4.15Å; V194-K208 HydrophobicContact CG2-CD 3.49Å; V194-K208 VanDerWaalsContact CG2-CD 3.49Å; V194-K208 HydrophobicContact CG2-CG 3.47Å; V194-K208 VanDerWaalsContact CG2-CG 3.47Å
209I93.3Very high85.1Confident43 Ų4381.1 Ų81.122%0.22144%0.435CS..EExtended strand (participates in β ladder)trans-74.5133.2167.7-55.9-179.6000107.4M146 C190 P211 A214 L217M146-I209 HydrophobicContact CB-CD1 4.21Å; M146-I209 HydrophobicContact CB-CG1 4.5Å; M146-I209 HydrophobicContact SD-CD1 3.93Å; M146-I209 HydrophobicContact SD-CG1 3.33Å; M146-I209 WeakPolarHBondContact SD-CG1 3.44Å; C190-I209 CarbonylContact O-C 3.59Å; C190-I209 VanDerWaalsContact O-CA 3.31Å; C190-I209 WeakPolarHBondContact O-CA 3.45Å; I209-P211 WeakPolarHBondContact O-CD 3.37Å; I209-A214 HydrophobicContact CG2-CB 4.05Å; I209-L217 HydrophobicContact CD1-CD2 4.41Å
210D92.7Very high84Confident29 Ų2976.2 Ų76.216%0.15542%0.418CS..  trans-68.1122.1171-177.4-18.1000109.3C190 I192 Q212 Y213 A214C190-D210 PolarHBondContact O-N 2.84Å; I192-D210 HydrophobicContact CD1-CB 4.01Å; I192-D210 HydrophobicContact CG1-CB 4.43Å; I192-D210 HydrophobicContact CG2-CB 4.16Å; D210-Q212 PolarHBondContact O-N 2.92Å; D210-Q212 VanDerWaalsContact O-N 3.09Å; D210-Q212 PolarHBondContact OD1-N 3.01Å; D210-Y213 HydrophobicContact CB-CD2 3.8Å; D210-Y213 PolarHBondContact O-N 2.89Å; D210-Y213 WeakPolarHBondContact OD2-CD2 3.44Å; D210-Y213 WeakPolarHBondContact OD2-CE2 3.48Å; D210-A214 PolarHBondContact O-N 3.01Å
211P89.3Confident82.7Confident98 Ų9873.7 Ų73.764%0.63641%0.409SS*.Hα-helixtrans-50.6-33.5178.9-27.635.1000114I209 Y213 A214I209-P211 WeakPolarHBondContact O-CD 3.37Å; P211-Y213 PolarHBondContact O-N 3.12Å; P211-A214 PolarHBondContact O-N 3.11Å
212Q87.3Confident81.5Confident156 Ų15671.9 Ų71.973%0.72939%0.388SS*.Hα-helixtrans-66-27.7179.7-62.6-174.8-0.900113.1D210D210-Q212 PolarHBondContact O-N 2.92Å; D210-Q212 VanDerWaalsContact O-N 3.09Å; D210-Q212 PolarHBondContact OD1-N 3.01Å
213Y82.7Confident80Confident62 Ų6277.1 Ų77.124%0.24340%0.397CS..Hα-helixtrans-107.1-4.8-177.8-59.3-84.1000112.6K189 D210 P211 D215 R216 L217K189-Y213 HydrophobicContact CB-CE2 4.27Å; D210-Y213 HydrophobicContact CB-CD2 3.8Å; D210-Y213 PolarHBondContact O-N 2.89Å; D210-Y213 WeakPolarHBondContact OD2-CD2 3.44Å; D210-Y213 WeakPolarHBondContact OD2-CE2 3.48Å; P211-Y213 PolarHBondContact O-N 3.12Å; Y213-D215 PolarHBondContact O-N 3.12Å; Y213-R216 PolarHBondContact O-N 2.93Å; Y213-L217 WeakPolarHBondContact O-CB 3.27Å; Y213-L217 PolarHBondContact O-N 3.48Å
214A81Confident78.4Confident27 Ų2774.6 Ų74.622%0.22339%0.386CS..Hα-helixtrans-56.3-49-178.200000111.6I209 D210 P211 R216 L217 M218I209-A214 HydrophobicContact CG2-CB 4.05Å; D210-A214 PolarHBondContact O-N 3.01Å; P211-A214 PolarHBondContact O-N 3.11Å; A214-R216 PolarHBondContact O-N 3.08Å; A214-L217 PolarHBondContact O-N 2.85Å; A214-M218 WeakPolarHBondContact O-CB 3.36Å; A214-M218 WeakPolarHBondContact O-CG 3.39Å; A214-M218 PolarHBondContact O-N 3.21Å
215D77.3Confident76.6Confident118 Ų11880.7 Ų80.763%0.63139%0.391SS*.Hα-helixtrans-64.3-43.7-178.5-63.4-28.4000112.4Y213 L217 N219Y213-D215 PolarHBondContact O-N 3.12Å; D215-L217 VanDerWaalsContact C-N 3.26Å; D215-L217 PolarHBondContact O-N 3.47Å; D215-N219 VanDerWaalsContact O-CB 3.28Å; D215-N219 WeakPolarHBondContact O-CB 3.18Å; D215-N219 PolarHBondContact O-N 3.42Å; D215-N219 PolarHBondContact O-ND2 3.35Å
216R77.1Confident74.7Confident192 Ų19291.1 Ų91.173%0.72543%0.426SS*.Hα-helixtrans-65.1-36.2179.1-174.4175.8175-147.5-0.4111.3Y213 A214 G220Y213-R216 PolarHBondContact O-N 2.93Å; A214-R216 PolarHBondContact O-N 3.08Å; R216-G220 WeakPolarHBondContact O-CA 3.45Å; R216-G220 PolarHBondContact O-N 2.93Å
217L71Confident72.5Confident17 Ų1797.4 Ų97.49%0.08946%0.457CS..Hα-helixtrans-78.1-40.7-177.4-174.3144.8000111.2C143 C190 F191 I209 Y213 A214 D215 N219 G220 A221C143-L217 HydrophobicContact CB-CD2 3.6Å; C143-L217 WeakPolarHBondContact SG-CD1 3.24Å; C143-L217 WeakPolarHBondContact SG-CD2 3.32Å; C190-L217 HydrophobicContact CB-CD1 3.53Å; F191-L217 HydrophobicContact CE1-CD1 4.45Å; F191-L217 HydrophobicContact CZ-CD1 4.4Å; I209-L217 HydrophobicContact CD1-CD2 4.41Å; Y213-L217 WeakPolarHBondContact O-CB 3.27Å; Y213-L217 PolarHBondContact O-N 3.48Å; A214-L217 PolarHBondContact O-N 2.85Å; D215-L217 VanDerWaalsContact C-N 3.26Å; D215-L217 PolarHBondContact O-N 3.47Å; L217-N219 VanDerWaalsContact C-N 3.28Å; L217-N219 PolarHBondContact O-N 3.4Å; L217-G220 PolarHBondContact O-N 3.19Å; L217-A221 HydrophobicContact CD2-CB 4.16Å; L217-A221 HydrophobicContact CG-CB 4.14Å; L217-A221 WeakPolarHBondContact O-CA 3.28Å; L217-A221 WeakPolarHBondContact O-CB 3.42Å; L217-A221 PolarHBondContact O-N 3.19Å
218M68.1Low70.2Confident70 Ų70100.5 Ų100.535%0.34548%0.483SS..Hα-helixtrans-63.4-36.3172.7-64.3-107.878.100111.4E147 A214 F222E147-M218 WeakPolarHBondContact OE2-CE 3.42Å; A214-M218 WeakPolarHBondContact O-CB 3.36Å; A214-M218 WeakPolarHBondContact O-CG 3.39Å; A214-M218 PolarHBondContact O-N 3.21Å; M218-F222 HydrophobicContact CE-CE2 3.66Å; M218-F222 HydrophobicContact CE-CZ 3.63Å; M218-F222 WeakPolarHBondContact O-CD2 3.47Å; M218-F222 VanDerWaalsContact O-CE2 3.3Å; M218-F222 WeakPolarHBondContact O-CE2 3.29Å
219N66Low68.3Low115 Ų115102 Ų10262%0.61550%0.501SS*.Hα-helixtrans-83.2-20.4179.6-67.2-37.8000114.4D215 L217 K223D215-N219 VanDerWaalsContact O-CB 3.28Å; D215-N219 WeakPolarHBondContact O-CB 3.18Å; D215-N219 PolarHBondContact O-N 3.42Å; D215-N219 PolarHBondContact O-ND2 3.35Å; L217-N219 VanDerWaalsContact C-N 3.28Å; L217-N219 PolarHBondContact O-N 3.4Å; N219-K223 WeakPolarHBondContact O-CE 3.42Å
220G63.2Low67.1Low40 Ų40106.2 Ų106.241%0.41253%0.528SS..Hα-helixtrans-114-27.7-172.500000115.5R216 L217 F222 K223R216-G220 WeakPolarHBondContact O-CA 3.45Å; R216-G220 PolarHBondContact O-N 2.93Å; L217-G220 PolarHBondContact O-N 3.19Å; G220-F222 VanDerWaalsContact C-N 3.34Å; G220-F222 PolarHBondContact O-N 3.47Å; G220-K223 PolarHBondContact O-N 2.93Å
221A59Low65.6Low17 Ų17113.9 Ų113.914%0.1456%0.563CS.*THydrogen-bonded Turntrans-70.6-28.6-174.100000113.2T140 L217T140-A221 HydrophobicContact CG2-CB 4.43Å; T140-A221 WeakPolarHBondContact CG2-O 3.19Å; T140-A221 PolarHBondContact OG1-O 3.16Å; T140-A221 VanDerWaalsContact OG1-O 3.06Å; L217-A221 HydrophobicContact CD2-CB 4.16Å; L217-A221 HydrophobicContact CG-CB 4.14Å; L217-A221 WeakPolarHBondContact O-CA 3.28Å; L217-A221 WeakPolarHBondContact O-CB 3.42Å; L217-A221 PolarHBondContact O-N 3.19Å
222F55.4Low64.7Low93 Ų93114.4 Ų114.441%0.40856%0.56SS.*THydrogen-bonded Turntrans-89.9-9-179.4-50.5-65.3000113.9M144 E147 M218 G220 K224M144-F222 HydrophobicContact CG-CE1 3.97Å; E147-F222 WeakPolarHBondContact OE2-CZ 3.41Å; M218-F222 HydrophobicContact CE-CE2 3.66Å; M218-F222 HydrophobicContact CE-CZ 3.63Å; M218-F222 WeakPolarHBondContact O-CD2 3.47Å; M218-F222 VanDerWaalsContact O-CE2 3.3Å; M218-F222 WeakPolarHBondContact O-CE2 3.29Å; G220-F222 VanDerWaalsContact C-N 3.34Å; G220-F222 PolarHBondContact O-N 3.47Å; F222-K224 PolarHBondContact O-N 3.3Å; F222-K224 VanDerWaalsContact O-N 3.09Å
223K56.8Low63.8Low160 Ų160112.7 Ų112.770%0.69655%0.552SS**SBendtrans-73.8108173.7-68.8-177-179.1177.30107.6N219 G220 R225N219-K223 WeakPolarHBondContact O-CE 3.42Å; G220-K223 PolarHBondContact O-N 2.93Å; K223-R225 PolarHBondContact O-N 3.08Å; K223-R225 VanDerWaalsContact O-N 3.1Å
224K54.7Low62.8Low115 Ų115113.7 Ų113.750%0.557%0.565SS.*  trans-37.5121.8166.3-109.5174.8177.71640107.5M121 F222 R226M121-K224 PolarHBondContact SD-NZ 3.38Å; F222-K224 PolarHBondContact O-N 3.3Å; F222-K224 VanDerWaalsContact O-N 3.09Å; K224-R226 VanDerWaalsContact C-N 3.27Å; K224-R226 PolarHBondContact O-N 3.41Å
225R52.8Low61.7Low186 Ų186115.2 Ų115.270%0.70258%0.578SS**  trans-57.897.5174.6-70.3-176.7-174.2162.5-7.2107.1S137 K223 M227S137-R225 VanDerWaalsContact CB-CZ 3.46Å; K223-R225 PolarHBondContact O-N 3.08Å; K223-R225 VanDerWaalsContact O-N 3.1Å; R225-M227 PolarHBondContact O-N 3.32Å; R225-M227 VanDerWaalsContact O-N 3.12Å
226R52.9Low60.8Low233 Ų233116.6 Ų116.688%0.87958%0.579SS**  trans-66.4112.1163.6-71.2-160.7177.8173.81104.3K224K224-R226 VanDerWaalsContact C-N 3.27Å; K224-R226 PolarHBondContact O-N 3.41Å
227M49.5Very low60.1Low151 Ų151110.6 Ų110.674%0.74456%0.564SS**PPolyproline II helixtrans-54125.1166-70-70.5150.500105.9R225R225-M227 PolarHBondContact O-N 3.32Å; R225-M227 VanDerWaalsContact O-N 3.12Å
228P49.2Very low59.5Low104 Ų104114.3 Ų114.368%0.67558%0.584SS**PPolyproline II helixtrans-54.4138171.522-29.6000107.2V230P228-V230 PolarHBondContact O-N 3.1Å; P228-V230 VanDerWaalsContact O-N 3.11Å
229P54.9Low59Low116 Ų116120.2 Ų120.275%0.75360%0.602SS**PPolyproline II helixtrans-50.8126.7174.8-20.529.8000107.6Q231P229-Q231 PolarHBondContact O-N 3.4Å
230V67.4Low58.5Low131 Ų131118 Ų11879%0.79460%0.599SS**  trans-55.4107.3172.9174.50000106.1P228 I232P228-V230 PolarHBondContact O-N 3.1Å; P228-V230 VanDerWaalsContact O-N 3.11Å; V230-I232 VanDerWaalsContact C-N 3.3Å; V230-I232 HydrophobicContact CG1-CG1 4.34Å; V230-I232 PolarHBondContact O-N 3.08Å
231Q62.8Low58.1Low190 Ų190121.4 Ų121.489%0.88861%0.605SS**  trans-7293.7174.9-71.9-171.3-16.500106.8P229 H233P229-Q231 PolarHBondContact O-N 3.4Å; Q231-H233 PolarHBondContact O-N 3.43Å
232I69.4Low57.9Low109 Ų109127.6 Ų127.656%0.55963%0.631SS**  trans-64.9122.7170.2-58.9176.5000106.5V230 F236V230-I232 VanDerWaalsContact C-N 3.3Å; V230-I232 HydrophobicContact CG1-CG1 4.34Å; V230-I232 PolarHBondContact O-N 3.08Å; I232-F236 HydrophobicContact CG2-CB 3.75Å; I232-F236 HydrophobicContact CG2-CD2 4.28Å; I232-F236 HydrophobicContact CG2-CG 4.43Å
233H68.4Low57.7Low121 Ų121130.3 Ų130.356%0.5665%0.645SS**  trans-52.6134.4177.8-172.4-87.3000110.1Q231 A235 F236Q231-H233 PolarHBondContact O-N 3.43Å; H233-A235 VanDerWaalsContact ND1-CB 3.28Å; H233-A235 WeakPolarHBondContact ND1-CB 3.2Å; H233-A235 PolarHBondContact ND1-N 2.86Å; H233-A235 PolarHBondContact O-N 3.28Å; H233-F236 HydrophobicContact CB-CD2 4.04Å; H233-F236 HydrophobicContact CB-CE2 4.21Å; H233-F236 PolarHBondContact O-N 3.19Å
234P62.3Low57.5Low82 Ų82126 Ų12653%0.53264%0.638SS.*Hα-helixtrans-60.4-14.1-171.622.2-33.9000114.5F236 T237 N238P234-F236 VanDerWaalsContact C-N 3.29Å; P234-F236 PolarHBondContact O-N 2.87Å; P234-T237 WeakPolarHBondContact CA-OG1 3.36Å; P234-T237 PolarHBondContact O-OG1 3.08Å; P234-N238 PolarHBondContact O-N 3.07Å; P234-N238 PolarHBondContact O-ND2 3.1Å
235A58.1Low57.1Low59 Ų59129.6 Ų129.649%0.48865%0.649SS.*Hα-helixtrans-63.2-31171.700000113.4H233H233-A235 VanDerWaalsContact ND1-CB 3.28Å; H233-A235 WeakPolarHBondContact ND1-CB 3.2Å; H233-A235 PolarHBondContact ND1-N 2.86Å; H233-A235 PolarHBondContact O-N 3.28Å
236F58Low56.5Low147 Ų147125.2 Ų125.265%0.64565%0.647SS**Hα-helixtrans-86.9-23.1-179.5-60.8-74.4000113.1I232 H233 P234I232-F236 HydrophobicContact CG2-CB 3.75Å; I232-F236 HydrophobicContact CG2-CD2 4.28Å; I232-F236 HydrophobicContact CG2-CG 4.43Å; H233-F236 HydrophobicContact CB-CD2 4.04Å; H233-F236 HydrophobicContact CB-CE2 4.21Å; H233-F236 PolarHBondContact O-N 3.19Å; P234-F236 VanDerWaalsContact C-N 3.29Å; P234-F236 PolarHBondContact O-N 2.87Å
237T62.7Low56.3Low67 Ų67119.9 Ų119.941%0.41164%0.64SS.*Hα-helixtrans-74.1-33.1175.849.50000112.3P234 Q241P234-T237 WeakPolarHBondContact CA-OG1 3.36Å; P234-T237 PolarHBondContact O-OG1 3.08Å; T237-Q241 PolarHBondContact O-N 3.27Å
238N56.9Low56.1Low95 Ų95118.4 Ų118.451%0.50864%0.64SS.*Hα-helixtrans-71.3-28.9179.2-73.9-25.9000113.2P234 Q241 Q242P234-N238 PolarHBondContact O-N 3.07Å; P234-N238 PolarHBondContact O-ND2 3.1Å; N238-Q241 PolarHBondContact O-N 2.86Å; N238-Q242 PolarHBondContact O-N 2.9Å; N238-Q242 VanDerWaalsContact O-N 3.1Å
239R58.6Low55.9Low193 Ų193118.9 Ų118.973%0.72865%0.646SS**Hα-helixtrans-68-41.2176.5-163171.1-1591606112Q241 Q242 E243R239-Q241 VanDerWaalsContact C-N 3.31Å; R239-Q241 PolarHBondContact O-N 2.94Å; R239-Q242 PolarHBondContact O-N 3.4Å; R239-E243 PolarHBondContact O-N 3.38Å
240A54.5Low55.2Low68 Ų68118.5 Ų118.556%0.56265%0.645SS**Hα-helixtrans-67.7-28.3176.700000113.3
241Q56.1Low53.7Low112 Ų112118 Ų11852%0.52364%0.643SS.*Hα-helixtrans-83-27.8176.1-70.2-166.4-900113.7T237 N238 R239 A244 R245T237-Q241 PolarHBondContact O-N 3.27Å; N238-Q241 PolarHBondContact O-N 2.86Å; R239-Q241 VanDerWaalsContact C-N 3.31Å; R239-Q241 PolarHBondContact O-N 2.94Å; Q241-A244 PolarHBondContact O-N 3.2Å; Q241-R245 PolarHBondContact O-N 3.22Å
242Q54.5Low52.9Low147 Ų147113.8 Ų113.869%0.68764%0.64SS**Hα-helixtrans-69.3-35174.2-86.1-179.6-10.800112.1N238 R239 A244 R245 S246N238-Q242 PolarHBondContact O-N 2.9Å; N238-Q242 VanDerWaalsContact O-N 3.1Å; R239-Q242 PolarHBondContact O-N 3.4Å; Q242-A244 VanDerWaalsContact C-N 3.27Å; Q242-A244 PolarHBondContact O-N 3.09Å; Q242-R245 PolarHBondContact O-N 2.68Å; Q242-S246 PolarHBondContact O-OG 3.1Å
243E51.1Low51.5Low151 Ų151113.2 Ų113.271%0.70665%0.646SS**Hα-helixtrans-71.5-21.3176.6-132.1156.1-159.800113R239 S246R239-E243 PolarHBondContact O-N 3.38Å; E243-S246 PolarHBondContact O-OG 3.49Å
244A51.8Low49.8Very low68 Ų68112.8 Ų112.856%0.56266%0.657SS**Hα-helixtrans-86.4-15.2174.700000114.1Q241 Q242Q241-A244 PolarHBondContact O-N 3.2Å; Q242-A244 VanDerWaalsContact C-N 3.27Å; Q242-A244 PolarHBondContact O-N 3.09Å
245R46.8Very low48.8Very low191 Ų191121.3 Ų121.372%0.72168%0.678SS**Hα-helixtrans-99.4-10.5-177.2-75.7-178177.5171.41.9114.3Q241 Q242 V247Q241-R245 PolarHBondContact O-N 3.22Å; Q242-R245 PolarHBondContact O-N 2.68Å; R245-V247 VanDerWaalsContact C-N 3.32Å
246S41.2Very low47.7Very low95 Ų95124.9 Ų124.966%0.66469%0.694SS**SBendtrans-840.7177.340.20000114.5Q242 E243Q242-S246 PolarHBondContact O-OG 3.1Å; E243-S246 PolarHBondContact O-OG 3.49Å
247V48.2Very low47.3Very low121 Ų121123.2 Ų123.273%0.73370%0.701SS**SBendtrans-108.4-3.9-178.9-170.40000113.7R245 S249R245-V247 VanDerWaalsContact C-N 3.32Å; V247-S249 PolarHBondContact O-N 2.96Å
248T45.4Very low46.3Very low119 Ų119127.4 Ų127.473%0.7372%0.721SS**  trans-97.865.7-178.165.30000113.1
249S44.5Very low45.9Very low115 Ų115131.3 Ų131.380%0.80474%0.741SS**SBendtrans-156.874.8152.370.10000112V247V247-S249 PolarHBondContact O-N 2.96Å
250S39.6Very low45.2Very low107 Ų107128.2 Ų128.275%0.74874%0.744SS**SBendtrans-179.6119145.7-179.70000111.2
251V36.9Very low44.7Very low122 Ų122132.7 Ų132.774%0.73976%0.757SS**  trans70.1107.4159.1176.40000118.1
252A45.2Very low44.4Very low101 Ų101135 Ų13584%0.83577%0.773SS**  trans-66.7126.2153.900000110.5
253S39.8Very low44.4Very low96 Ų96131.6 Ų131.667%0.67176%0.762SS**  trans-166.3123.91444.50000111.4
254S34.4Very low45.5Very low113 Ų113128.9 Ų128.979%0.7975%0.753SS**  trans52.1106.3147.4-530000119.6T256S254-T256 PolarHBondContact O-N 3.42Å
255W41.3Very low46.6Very low260 Ų260131.6 Ų131.699%0.98576%0.757SS**  trans-56.9123.7157.9-69.1-12.2000111.5
256T34.1Very low47.5Very low135 Ų135128.6 Ų128.683%0.82875%0.751SS**  trans-135.5131.3146.650.80000108.2S254 N258S254-T256 PolarHBondContact O-N 3.42Å; T256-N258 PolarHBondContact O-N 3.26Å
257S49.2Very low48.9Very low112 Ų112126 Ų12678%0.78373%0.733SS**  trans-54.5128.6-178.3-50.70000111.6
258N42.1Very low49.7Very low154 Ų154125.4 Ų125.482%0.82472%0.722SS**  trans-176.2104.4143.7-84.3-26.8000108.5T256 V260T256-N258 PolarHBondContact O-N 3.26Å; N258-V260 PolarHBondContact O-N 2.99Å; N258-V260 VanDerWaalsContact O-N 3.08Å
259N48.7Very low51.2Low177 Ų177126.1 Ų126.195%0.94772%0.717SS**  trans-70.698173.1-91.4-30.4000109.7
260V43.6Very low52.7Low129 Ų129125.8 Ų125.878%0.78271%0.706SS**  trans-113.3116.3159.6179.40000106.3N258 N262N258-V260 PolarHBondContact O-N 2.99Å; N258-V260 VanDerWaalsContact O-N 3.08Å; V260-N262 PolarHBondContact O-N 3.09Å
261L44.3Very low54.4Low161 Ų161126.3 Ų126.384%0.84370%0.7SS**  trans-61.8110.6175.2-66.8170.3000108.1V263L261-V263 PolarHBondContact O-N 3.28Å
262N49.9Very low56.2Low160 Ų160127.5 Ų127.586%0.85670%0.695SS**  trans-74.398.6176.8-166.623.4000108.6V260 N264V260-N262 PolarHBondContact O-N 3.09Å; N262-N264 PolarHBondContact O-N 3.06Å
263V54.8Low57.7Low76 Ų76128.3 Ų128.346%0.46168%0.681SS.*  trans-72.4121.3176-1800000108.1L261 I265 S267 Q268L261-V263 PolarHBondContact O-N 3.28Å; V263-I265 PolarHBondContact O-N 3.43Å; V263-S267 WeakPolarHBondContact CG1-OG 3.36Å; V263-Q268 HydrophobicContact CG1-CG 3.96Å; V263-Q268 PolarHBondContact O-NE2 3.43Å
264N72.6Confident59.1Low95 Ų95130.2 Ų130.251%0.50868%0.678SS.*  trans-48.5129.7180-179.618.6000110.5N262 E266 S267 Q268N262-N264 PolarHBondContact O-N 3.06Å; N264-E266 PolarHBondContact O-N 3.47Å; N264-S267 PolarHBondContact O-N 3.42Å; N264-S267 PolarHBondContact O-OG 3.35Å; N264-Q268 PolarHBondContact O-N 3.42Å
265I76.1Confident61Low125 Ų125131.3 Ų131.364%0.64167%0.67SS**Hα-helixtrans-53.2-33.4-176-159.982.4000111.9V263 S267 Q268 Q269V263-I265 PolarHBondContact O-N 3.43Å; I265-S267 PolarHBondContact O-N 3.44Å; I265-Q268 PolarHBondContact O-N 3.43Å; I265-Q269 PolarHBondContact O-N 3.35Å
266E65.6Low62.3Low128 Ų128126.5 Ų126.560%0.59866%0.659SS**Hα-helixtrans-67.6-35179.5-146.5174.9-164.100112.3N264 Q269 L270N264-E266 PolarHBondContact O-N 3.47Å; E266-Q269 PolarHBondContact O-N 3.28Å; E266-L270 WeakPolarHBondContact O-CG 3.48Å; E266-L270 PolarHBondContact O-N 3.4Å
267S70.3Confident63.6Low41 Ų41125.8 Ų125.829%0.28765%0.654SS.*Hα-helixtrans-74-29.4177.262.90000112.9V263 N264 I265 Q269 L271V263-S267 WeakPolarHBondContact CG1-OG 3.36Å; N264-S267 PolarHBondContact O-N 3.42Å; N264-S267 PolarHBondContact O-OG 3.35Å; I265-S267 PolarHBondContact O-N 3.44Å; S267-Q269 VanDerWaalsContact C-N 3.33Å; S267-L271 PolarHBondContact O-N 3.1Å
268Q65.8Low64.2Low107 Ų107123.9 Ų123.950%0.564%0.638SS.*Hα-helixtrans-70.8-34172-61.3-171.228.100111.4V263 N264 I265 L271 K272V263-Q268 HydrophobicContact CG1-CG 3.96Å; V263-Q268 PolarHBondContact O-NE2 3.43Å; N264-Q268 PolarHBondContact O-N 3.42Å; I265-Q268 PolarHBondContact O-N 3.43Å; Q268-L271 PolarHBondContact O-N 3.39Å; Q268-K272 WeakPolarHBondContact O-CB 3.17Å; Q268-K272 PolarHBondContact O-N 3.43Å
269Q75.4Confident64.6Low134 Ų134118.9 Ų118.963%0.62662%0.623SS**Hα-helixtrans-71.6-39.4178.4-154.5152.28.800111.7I265 E266 S267 K272 E273I265-Q269 PolarHBondContact O-N 3.35Å; E266-Q269 PolarHBondContact O-N 3.28Å; S267-Q269 VanDerWaalsContact C-N 3.33Å; Q269-K272 PolarHBondContact O-N 3.4Å; Q269-E273 WeakPolarHBondContact O-CB 3.28Å; Q269-E273 PolarHBondContact O-N 3.31Å
270L77.3Confident64.7Low108 Ų108117.5 Ų117.557%0.56562%0.615SS**Hα-helixtrans-66.9-37.3172.3-73.1171.7000113E266 K272 E273 F274E266-L270 WeakPolarHBondContact O-CG 3.48Å; E266-L270 PolarHBondContact O-N 3.4Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-E273 PolarHBondContact O-N 3.42Å; L270-F274 VanDerWaalsContact O-CB 3.24Å; L270-F274 WeakPolarHBondContact O-CB 3.46Å; L270-F274 PolarHBondContact O-N 3.11Å
271L75.9Confident65.1Low119 Ų119118.4 Ų118.462%0.62361%0.611SS**Hα-helixtrans-62.3-42.1172.7-114.993.8000111S267 Q268 F274 E275S267-L271 PolarHBondContact O-N 3.1Å; Q268-L271 PolarHBondContact O-N 3.39Å; L271-F274 PolarHBondContact O-N 3.47Å; L271-E275 VanDerWaalsContact O-CB 3.28Å; L271-E275 WeakPolarHBondContact O-CB 3.28Å; L271-E275 PolarHBondContact O-N 3.47Å
272K73.6Confident64.7Low146 Ų146117.1 Ų117.164%0.63561%0.605SS**Hα-helixtrans-67.9-40.7179.5-165.3175.4-175-177.80112.1Q268 Q269 L270 F274 E275 E276Q268-K272 WeakPolarHBondContact O-CB 3.17Å; Q268-K272 PolarHBondContact O-N 3.43Å; Q269-K272 PolarHBondContact O-N 3.4Å; L270-K272 VanDerWaalsContact C-N 3.3Å; K272-F274 VanDerWaalsContact C-N 3.33Å; K272-E275 PolarHBondContact O-N 3.41Å; K272-E276 VanDerWaalsContact O-CB 3.28Å; K272-E276 WeakPolarHBondContact O-CB 3.24Å; K272-E276 PolarHBondContact O-N 2.63Å
273E76.2Confident64.3Low118 Ų118120.5 Ų120.555%0.55161%0.606SS**Hα-helixtrans-66.1-36.9174.9-169.6175.5-169.600111.4Q269 L270 V277Q269-E273 WeakPolarHBondContact O-CB 3.28Å; Q269-E273 PolarHBondContact O-N 3.31Å; L270-E273 PolarHBondContact O-N 3.42Å; E273-V277 WeakPolarHBondContact O-CB 3.18Å; E273-V277 PolarHBondContact O-N 2.9Å
274F70.4Confident63.7Low137 Ų137123 Ų12360%0.60162%0.617SS**Hα-helixtrans-67.7-43.4174.1-177.4-98.2000112.2L270 L271 K272 E276 V277 T278L270-F274 VanDerWaalsContact O-CB 3.24Å; L270-F274 WeakPolarHBondContact O-CB 3.46Å; L270-F274 PolarHBondContact O-N 3.11Å; L271-F274 PolarHBondContact O-N 3.47Å; K272-F274 VanDerWaalsContact C-N 3.33Å; F274-E276 VanDerWaalsContact C-N 3.33Å; F274-V277 PolarHBondContact O-N 3.16Å; F274-T278 HydrophobicContact CE1-CG2 4.41Å; F274-T278 HydrophobicContact CE2-CG2 4.1Å; F274-T278 HydrophobicContact CZ-CG2 4.04Å; F274-T278 WeakPolarHBondContact O-CB 3.4Å; F274-T278 PolarHBondContact O-N 3.06Å; F274-T278 PolarHBondContact O-OG1 3.33Å
275E73.4Confident62.4Low136 Ų136124.5 Ų124.564%0.63663%0.632SS**Hα-helixtrans-70-30.2179.5-156.6166.3-145.300111.7L271 K272 G279L271-E275 VanDerWaalsContact O-CB 3.28Å; L271-E275 WeakPolarHBondContact O-CB 3.28Å; L271-E275 PolarHBondContact O-N 3.47Å; K272-E275 PolarHBondContact O-N 3.41Å; E275-G279 WeakPolarHBondContact O-CA 3.4Å; E275-G279 PolarHBondContact O-N 3.33Å
276E69.2Low60.5Low159 Ų159122.4 Ų122.474%0.74363%0.633SS**Hα-helixtrans-74.2-33.6172.2-170.7171.117800112.5K272 F274K272-E276 VanDerWaalsContact O-CB 3.28Å; K272-E276 WeakPolarHBondContact O-CB 3.24Å; K272-E276 PolarHBondContact O-N 2.63Å; F274-E276 VanDerWaalsContact C-N 3.33Å
277V61.5Low59.1Low120 Ų120124.2 Ų124.273%0.72765%0.647SS**Hα-helixtrans-78.2-26.2175.6153.90000113.2E273 F274E273-V277 WeakPolarHBondContact O-CB 3.18Å; E273-V277 PolarHBondContact O-N 2.9Å; F274-V277 PolarHBondContact O-N 3.16Å
278T60.8Low57.4Low71 Ų71125.8 Ų125.844%0.43667%0.67SS.*Hα-helixtrans-112.9-4.7-175.9560000114.9F274 D280F274-T278 HydrophobicContact CE1-CG2 4.41Å; F274-T278 HydrophobicContact CE2-CG2 4.1Å; F274-T278 HydrophobicContact CZ-CG2 4.04Å; F274-T278 WeakPolarHBondContact O-CB 3.4Å; F274-T278 PolarHBondContact O-N 3.06Å; F274-T278 PolarHBondContact O-OG1 3.33Å; T278-D280 VanDerWaalsContact C-N 3.29Å; T278-D280 PolarHBondContact O-N 3.28Å
279G50.4Low55.9Low50 Ų50131 Ų13152%0.51569%0.69SS.*  trans-68.7-13.6-172.400000116.7E275 Q281E275-G279 WeakPolarHBondContact O-CA 3.4Å; E275-G279 PolarHBondContact O-N 3.33Å; G279-Q281 PolarHBondContact O-N 3.45Å
280D51.5Low53.9Low147 Ų147129.4 Ų129.479%0.78670%0.7SS**  trans-95.250.6179.6-72.1-18.7000112.7T278T278-D280 VanDerWaalsContact C-N 3.29Å; T278-D280 PolarHBondContact O-N 3.28Å
281Q50.8Low51.9Low148 Ų148127.1 Ų127.169%0.69270%0.703SS**  trans-140.277.6162.4-65.6-56-18.500111.4G279 W283G279-Q281 PolarHBondContact O-N 3.45Å; Q281-W283 PolarHBondContact O-N 3.16Å; Q281-W283 VanDerWaalsContact O-N 3.16Å
282N37.2Very low50.1Low134 Ų134130.9 Ų130.972%0.71772%0.717SS**  trans-67.499.9167.6-177.825.9000110.2N284N282-N284 PolarHBondContact O-N 3.29Å; N282-N284 VanDerWaalsContact O-N 3.11Å
283W41.5Very low48.4Very low231 Ų231133.8 Ų133.888%0.87573%0.73SS**  trans-78.388.7171.4-72.198.3000110.4Q281Q281-W283 PolarHBondContact O-N 3.16Å; Q281-W283 VanDerWaalsContact O-N 3.16Å
284N42Very low46.4Very low130 Ų130138.9 Ų138.970%0.69574%0.744SS**  trans-87.9126.6162.9-104.2-19000109.5N282 A286N282-N284 PolarHBondContact O-N 3.29Å; N282-N284 VanDerWaalsContact O-N 3.11Å; N284-A286 PolarHBondContact O-N 2.85Å
285P45.1Very low44.8Very low126 Ų126141.8 Ų141.882%0.81876%0.756SS**  trans-92.892.2174.233.9-26.2000109.5
286A36.1Very low43.1Very low81 Ų81142.8 Ų142.867%0.66976%0.761SS**  trans-155120.1163.400000111.4N284N284-A286 PolarHBondContact O-N 2.85Å
287D35.7Very low41.6Very low166 Ų166140.6 Ų140.689%0.88876%0.761SS**  trans63.5114.3153.1-60.7-33.6000121.7
288G34.4Very low40.4Very low74 Ų74142.9 Ų142.976%0.76377%0.768SS**  91.7105.3117.100000120.2
289K34.4Very low39.4Very low215 Ų215145.1 Ų145.194%0.93578%0.783SS**  trans64.8138.7138.2-96.8174.9176.81730122
290A34.6Very low38.7Very low101 Ų101152.5 Ų152.584%0.83580%0.801SS**  trans82.4116.615300000117.9
291G34.2Very low38Very low61 Ų61157.4 Ų157.463%0.62981%0.809SS**  trans-94.1174.6-17800000114.6
292H38.2Very low37.2Very low197 Ų197157.1 Ų157.191%0.91282%0.817SS**  trans-155.1133.5156.2-85.5-67.5000109.7
293K38.9Very low36.9Very low207 Ų207155.2 Ų155.290%0.982%0.82SS**  trans-69.2137.6173.8-62.3-167.1176.1-174.60110.2
294R33.7Very low36.5Very low225 Ų225153.2 Ų153.285%0.84982%0.818SS**  trans-139.1112.1161.4-163.7169.9-177.8139.6-1.2110.9
295K37.5Very low35.9Very low198 Ų198154.6 Ų154.686%0.86182%0.824SS**  trans-79.2145.1169.1-63.5-172.8174.9-172.90109.2
296Q36.8Very low35.1Very low158 Ų158152.5 Ų152.574%0.73882%0.817SS**  trans-119.7153.7164.9-72.1-73.39.200109.4
297P38.6Very low34.8Very low113 Ų113159.6 Ų159.673%0.73483%0.827SS**  trans-111153.6-146.827.3-8.6000114.5
298L36.9Very low34.4Very low168 Ų168159 Ų15988%0.8882%0.822SS**PPolyproline II helixtrans-85.8143.5175.3-164.372.4000111.1
299P39.8Very low34Very low117 Ų117160.6 Ų160.676%0.7682%0.822SS**PPolyproline II helixtrans-81.4147-175.530.1-32.6000114.4
300K35Very low33.8Very low205 Ų205155.9 Ų155.989%0.89182%0.817SS**PPolyproline II helixtrans-74.4142.3-177.3-59.9168.1179.2175.80111.7
301R35.8Very low33.5Very low251 Ų251156.3 Ų156.395%0.94781%0.813SS**  trans-124.1139.5157-73.8-178.196.3132.6-1.2110.7
302T35.9Very low33.5Very low141 Ų141159.7 Ų159.787%0.86582%0.824SS**  trans-82.1146.9-16644.20000113.4
303A30Very low33.2Very low94 Ų94157.8 Ų157.878%0.77782%0.82SS**  trans-77.8145.9171.900000112.7
304K32.5Very low32.7Very low190 Ų190155.5 Ų155.583%0.82682%0.816SS**  167.8144114.1-112.6179.3170.1166.90114.9
305L29.3Very low32.4Very low159 Ų159151 Ų15183%0.83281%0.814SS**  trans95.6134.6138.9-77161.8000121.7
306A29.4Very low32.3Very low81 Ų81150 Ų15067%0.66981%0.812SS**  trans-89.1167.5-169.100000114.7
307R28.3Very low32.1Very low230 Ų230151.2 Ų151.287%0.86882%0.818SS**  trans-178.5129.2132-101.2177.3-100.7-175.2-6.4114.2
308L28.8Very low31.8Very low153 Ų153154.6 Ų154.680%0.80182%0.824SS**  trans55.1115.5137.5-54.8175.6000119.6
309S26.2Very low31.6Very low109 Ų109154.7 Ų154.776%0.76282%0.82SS**  85.411071170.50000114.7
310S28.5Very low31.2Very low116 Ų116155 Ų15581%0.81182%0.82SS**  178.3118.612851.80000112
311S29.1Very low31.1Very low110 Ų110153.3 Ų153.377%0.76982%0.816SS**  trans-79.3169.9158.7-54.90000110.6
312P35.2Very low31.1Very low131 Ų131149.4 Ų149.485%0.85181%0.813SS**  -145.2158.99832.6-13.7000116.5
313L31.6Very low31Very low158 Ų158146 Ų14683%0.82781%0.805SS**  trans-64.7158.7174.8-91.776000115.5
314L27.4Very low31.3Very low158 Ų158147.5 Ų147.583%0.82781%0.81SS**  trans167141.3133.5-95.1170.7000107.7
315T28.3Very low31.5Very low130 Ų130146.7 Ų146.780%0.79881%0.814SS**  cis-160.3160.46.3-9.20000107.9
316Q34.5Very low32.3Very low177 Ų177148.7 Ų148.783%0.82782%0.816SS**  trans-113.6122.1-177.7165.5178.1-18.200109.6
317E32.2Very low32.8Very low184 Ų184147.6 Ų147.686%0.8681%0.812SS**  trans-177.6132.4162.3-120.1168.2175.500105.4
318E34Very low33.9Very low184 Ų184144.4 Ų144.486%0.8681%0.812SS**  cis-157.5155.920.3-159.3174.6168.800107.5
319Q32.2Very low34.6Very low171 Ų171144.2 Ų144.280%0.79981%0.805SS**  trans-95.8160.3-168.3-66.1170.5-36.400112.6
320T30.8Very low36.4Very low124 Ų124143.4 Ų143.476%0.76179%0.792SS**  trans96.8105.4144-33.50000116.9
321E34Very low38Very low169 Ų169145.7 Ų145.779%0.7978%0.783SS**  -179.3123.8120.7-102.5-178.2-177.900112.5
322L35.8Very low39.2Very low169 Ų169147.2 Ų147.289%0.88578%0.778SS**  trans64.8129.4156-48.1173.7000116.9
323G32.7Very low40.2Very low68 Ų68143.5 Ų143.570%0.70176%0.759SS**  cis161.7129.911.900000104.9L325G323-L325 PolarHBondContact O-N 2.64Å
324S37.5Very low41.6Very low126 Ų126139.9 Ų139.988%0.88174%0.74SS**  trans-63.3115.4-171.8-159.10000111.8K326S324-K326 PolarHBondContact O-N 2.86Å
325L36.1Very low43.2Very low174 Ų174138.3 Ų138.391%0.91173%0.726SS**  trans-94.380.5175.5-125.5144.6000109.4G323G323-L325 PolarHBondContact O-N 2.64Å
326K46.3Very low44.3Very low201 Ų201136.9 Ų136.987%0.87471%0.714SS**  trans-90.587.8163-176161.9178.8176.80107.2S324S324-K326 PolarHBondContact O-N 2.86Å
327G39.4Very low45.3Very low58 Ų58133.6 Ų133.660%0.59871%0.706SS**  trans-91.3110.5172.200000109.7F329G327-F329 PolarHBondContact O-N 3.4Å
328D50.7Low46.2Very low162 Ų162129.8 Ų129.887%0.86670%0.695SS**  trans-68.2116.9162.7-164.97.4000107.2D330D328-D330 PolarHBondContact O-N 3.31Å
329F45.2Very low47.2Very low149 Ų149127.8 Ų127.865%0.65469%0.69SS**  trans-95.797.9-175.7-149.4-89.8000108.1G327 W331 I334G327-F329 PolarHBondContact O-N 3.4Å; F329-W331 PolarHBondContact O-N 3.35Å; F329-I334 HydrophobicContact CE1-CD1 4.27Å
330D62.4Low48.3Very low92 Ų92126.1 Ų126.149%0.49269%0.687SS.*  trans-81.9109-178.4-176.111.3000110.7D328 E332D328-D330 PolarHBondContact O-N 3.31Å; D330-E332 VanDerWaalsContact C-N 3.29Å; D330-E332 WeakPolarHBondContact OD1-CB 3.46Å; D330-E332 PolarHBondContact OD1-N 2.9Å
331W63.1Low48.7Very low164 Ų164123 Ų12362%0.62168%0.678SS**SBendtrans-71.9-21.7176.3-75.194.6000112.5F329 F335F329-W331 PolarHBondContact O-N 3.35Å; W331-F335 HydrophobicContact CE3-CE2 4.32Å; W331-F335 WeakPolarHBondContact O-CD2 3.28Å
332E53.2Low48.9Very low142 Ų142122.5 Ų122.566%0.66468%0.681SS**Hα-helixtrans-73.1-32.1-176.4-66.6-157.8153.700112.5D330 I334 F335 D336D330-E332 VanDerWaalsContact C-N 3.29Å; D330-E332 WeakPolarHBondContact OD1-CB 3.46Å; D330-E332 PolarHBondContact OD1-N 2.9Å; E332-I334 VanDerWaalsContact C-N 3.27Å; E332-I334 PolarHBondContact O-N 3.49Å; E332-F335 PolarHBondContact O-N 3.29Å; E332-D336 PolarHBondContact O-N 2.88Å; E332-D336 VanDerWaalsContact O-N 3.1Å
333A56.5Low49.1Very low54 Ų54124.9 Ų124.945%0.44669%0.685SS.*Hα-helixtrans-64.9-26.5177.400000114.2T337A333-T337 WeakPolarHBondContact O-CG2 3.38Å; A333-T337 PolarHBondContact O-OG1 3.03Å
334I61Low49.7Very low82 Ų82127.1 Ų127.142%0.42169%0.69SS.*Hα-helixtrans-79.9-35.2179.2-59.7177.7000110.8F329 E332 T337 T338F329-I334 HydrophobicContact CE1-CD1 4.27Å; E332-I334 VanDerWaalsContact C-N 3.27Å; E332-I334 PolarHBondContact O-N 3.49Å; I334-T337 PolarHBondContact O-OG1 3.33Å; I334-T338 PolarHBondContact O-OG1 3.49Å
335F61.1Low49.8Very low124 Ų124126.8 Ų126.854%0.54469%0.688SS.*Hα-helixtrans-78.9-33.9-179.6-72.2-67000112.3W331 E332 T338 L339W331-F335 HydrophobicContact CE3-CE2 4.32Å; W331-F335 WeakPolarHBondContact O-CD2 3.28Å; E332-F335 PolarHBondContact O-N 3.29Å; F335-T338 PolarHBondContact O-N 3.03Å; F335-T338 PolarHBondContact O-OG1 3.49Å; F335-T338 VanDerWaalsContact O-OG1 3.08Å; F335-L339 PolarHBondContact O-N 3.03Å
336D51.6Low50.1Low101 Ų101128.5 Ų128.554%0.5469%0.688SS.*Hα-helixtrans-73.9-29.1179.8-77.3-15.2000113.4E332 T338 N340E332-D336 PolarHBondContact O-N 2.88Å; E332-D336 VanDerWaalsContact O-N 3.1Å; D336-T338 VanDerWaalsContact C-N 3.29Å; D336-T338 PolarHBondContact O-N 3.19Å; D336-N340 PolarHBondContact O-N 3.33Å
337T55.8Low50.2Low107 Ų107127.7 Ų127.766%0.65669%0.687SS**Hα-helixtrans-73.5-18.4177.247.70000113.8A333 I334A333-T337 WeakPolarHBondContact O-CG2 3.38Å; A333-T337 PolarHBondContact O-OG1 3.03Å; I334-T337 PolarHBondContact O-OG1 3.33Å
338T50.7Low50.3Low104 Ų104132.3 Ų132.364%0.63870%0.698SS**Hα-helixtrans-95.8-15.4178.451.30000113.7I334 F335 D336I334-T338 PolarHBondContact O-OG1 3.49Å; F335-T338 PolarHBondContact O-N 3.03Å; F335-T338 PolarHBondContact O-OG1 3.49Å; F335-T338 VanDerWaalsContact O-OG1 3.08Å; D336-T338 VanDerWaalsContact C-N 3.29Å; D336-T338 PolarHBondContact O-N 3.19Å
339L54.8Low49.7Very low142 Ų142132.8 Ų132.874%0.74370%0.7SS**Hα-helixtrans-110.5-14.8-177.7-67.6176.3000114.6F335F335-L339 PolarHBondContact O-N 3.03Å
340N54.9Low49.5Very low137 Ų137134 Ų13473%0.73371%0.708SS**SBendtrans-113.918.4-179.9-87.115.6000115.5D336D336-N340 PolarHBondContact O-N 3.33Å
341G40.7Very low48.5Very low57 Ų57136.3 Ų136.359%0.58872%0.719SS**  trans-95.8109.8176.700000113.2
342D37.4Very low47.1Very low159 Ų159134.4 Ų134.485%0.8573%0.726SS**  trans-47.9131.1-177.8-67.3-49000116S344D342-S344 PolarHBondContact O-N 3.22Å
343F39.8Very low46.5Very low220 Ų220132.3 Ų132.397%0.96573%0.725SS**  trans-72.782.1166.3-73.4-89.7000110.4
344S46Very low46Very low114 Ų114135.8 Ų135.880%0.79774%0.743SS**  trans-15874.4167.7-148.60000113.2D342D342-S344 PolarHBondContact O-N 3.22Å
345S38.4Very low44.5Very low120 Ų120139.3 Ų139.384%0.83976%0.761SS**  trans-170.370.3152.1-1800000109
346F42.2Very low43.1Very low210 Ų210138.3 Ų138.392%0.92177%0.769SS**  trans-104.775.9169.9-163.9-87.4000107.6
347E48.9Very low42.2Very low183 Ų183140 Ų14086%0.85579%0.786SS**  trans-17273.9167.6-117.9176.4-17400109
348D41.8Very low41Very low156 Ų156141.7 Ų141.783%0.83479%0.789SS**  trans173.8104138.5-119.1-7.8000109.3
349L38.8Very low40.1Very low172 Ų172143.1 Ų143.190%0.90180%0.798SS**  173.199.4129.6-110.690.8000108.5
350E40.8Very low39.1Very low174 Ų174147.2 Ų147.281%0.81380%0.803SS**  trans-77.1138167.5-94.2-169.8156.600111.8
351L41.6Very low38Very low140 Ų140148.4 Ų148.473%0.73381%0.81SS**  trans64.7121.4145.2-55.4163.2000116.7
352T33.1Very low37.7Very low125 Ų125151.9 Ų151.977%0.76782%0.82SS**  cis172.7-176.934.913.60000106.8
353P41.3Very low37.4Very low98 Ų98150.3 Ų150.364%0.63681%0.811SS**  -114.8-176.4-60.139.3-22.3000111.7
354P45.9Very low37.2Very low127 Ų127147.8 Ų147.883%0.82581%0.807SS**  trans-88.8129.3-172.133.9-28.4000112.3
355I29.3Very low36.8Very low156 Ų156147.7 Ų147.780%0.880%0.802SS**  trans-136.1131.8170.8-50.1178000110
356S31.7Very low36.5Very low103 Ų103148 Ų14872%0.7280%0.798SS**  trans-43.3164.5179.7-43.30000116.8I358S356-I358 PolarHBondContact O-N 2.94Å
357P33Very low36.1Very low136 Ų136146.7 Ų146.788%0.88379%0.794SS**PPolyproline II helixtrans-74.1119-169.430.7-30.6000110.7
358I30.6Very low35.1Very low142 Ų142141.7 Ų141.773%0.72879%0.792SS**PPolyproline II helixtrans-92.2124.7172.9-142.5165.9000108.8S356S356-I358 PolarHBondContact O-N 2.94Å
359T30.6Very low34.6Very low135 Ų135145.1 Ų145.183%0.82879%0.793SS**PPolyproline II helixtrans-56.9129.5168.945.90000109.9
360R34.8Very low34.1Very low227 Ų227143.6 Ų143.686%0.85778%0.782SS**  trans-106.8107.5169-72.7-168.1168.9123.30.1109.7
361D30.2Very low33.7Very low163 Ų163140.7 Ų140.787%0.87277%0.771SS**  trans-70125.5156.4-119.4-21.6000108.5
362V35.1Very low33.1Very low130 Ų130141.1 Ų141.179%0.78877%0.774SS**  trans-140.7115.3156.7-179.40000108.3
363D30.9Very low32.9Very low125 Ų125141 Ų14167%0.66878%0.777SS**  trans-82.1135.1-179.2-173.818.5000111.3
364L36Very low32.5Very low167 Ų167142.1 Ų142.187%0.87478%0.783SS**  trans-138.596.3164.5-83.2172.8000108.7
365T37.1Very low31.8Very low113 Ų113143.6 Ų143.669%0.69378%0.78SS**  trans-64.3139.9168.539.20000111.4
366V32.5Very low31.8Very low125 Ų125142.6 Ų142.676%0.75877%0.771SS**  trans-167.6113.9142.2140.70000111.6
367H33.3Very low31.6Very low183 Ų183148.3 Ų148.385%0.84778%0.777SS**  trans51.8117.8149-57.9-49.3000124.1
368G28.3Very low31.4Very low79 Ų79147.2 Ų147.281%0.81477%0.772SS**  trans165.5102.7142.900000115.4
369R31.9Very low32.1Very low227 Ų227145.9 Ų145.986%0.85777%0.772SS**  trans-40.8153.4170.4-67.3169.1155-130.8-0.8113.1
370H29.2Very low32Very low141 Ų141146.1 Ų146.165%0.65377%0.773SS**  177138.450.7-164.6-124.9000112.5
371I30.6Very low31.7Very low113 Ų113138.5 Ų138.558%0.57977%0.765SS**  trans62101.8148.7-66.9-167.3000118.2
372D29.5Very low31.7Very low149 Ų149139.4 Ų139.480%0.79776%0.764SS**  88.1115.575.4-69.1-36.9000113
373C30.2Very low31.4Very low123 Ų123139.7 Ų139.783%0.83176%0.761SS**  trans-117.7129166-165.20000107.4Q375C373-Q375 PolarHBondContact O-N 3.03Å
374P32Very low31.5Very low120 Ų120141.8 Ų141.878%0.77977%0.767SS**  trans-78.3123.6-174.2-7.724.6000112.5
375Q30.9Very low31.2Very low159 Ų159140.2 Ų140.274%0.74376%0.758SS**  8.4136.7112-135.9136.6-16.700114.9C373C373-Q375 PolarHBondContact O-N 3.03Å
376E29.5Very low30.9Very low135 Ų135142.2 Ų142.263%0.63176%0.764SS**  cis174.2175.740-149.7159.8-139.900108.4
377W26.6Very low30.8Very low223 Ų223143.3 Ų143.385%0.84577%0.771SS**  trans89.2104.3158.7-101.7-73.9000121.4
378C29Very low30.6Very low113 Ų113143.3 Ų143.376%0.76477%0.771SS**  trans-93.5169139.3-530000108.6
379P45.3Very low30.6Very low114 Ų114145 Ų14574%0.7477%0.771SS**  cis-139.3-166-1.328.1-1.6000113.3
380V29Very low30.5Very low139 Ų139141.2 Ų141.284%0.84277%0.767SS**  trans101113.4157-175.30000118.3
381G28.1Very low30.6Very low67 Ų67142.2 Ų142.269%0.69177%0.772SS**  97.9132.7119.200000120.2
382H31.4Very low30.7Very low183 Ų183144.1 Ų144.185%0.84778%0.783SS**  trans95.4126.3152.6-87.1-79.4000121.9
383D29.1Very low30.8Very low136 Ų136142.4 Ų142.473%0.72778%0.783SS**  trans-50.8146166.9-55.9-65.2000114.7
384Q31.9Very low31.6Very low168 Ų168145.1 Ų145.179%0.78579%0.788SS**  162.7121.9114.2-88.9175.541.300113.5
385I29.4Very low32.1Very low134 Ų134146.5 Ų146.569%0.68779%0.789SS**  65.7115.2123.8-60.6177000120.9
386L30.6Very low32.4Very low156 Ų156147.5 Ų147.582%0.81779%0.792SS**  trans55.9123.1142.5-61.6168.9000121.3
387T30.5Very low33.1Very low148 Ų148147.6 Ų147.691%0.90880%0.796SS**  -167.8144.9118.715.10000112.5
388E30Very low34.2Very low183 Ų183145.7 Ų145.786%0.85580%0.797SS**  trans-67.5151.4-177.8-60.7171.5121.300114
389S28.6Very low35.1Very low115 Ų115145.2 Ų145.280%0.80479%0.791SS**  161.4114.4114.251.60000113.9
390N28.5Very low35Very low146 Ų146147.9 Ų147.978%0.78179%0.791SS**  trans14.1113.6134.4-114.5-41.4000119.7
391Q31.6Very low36Very low163 Ų163148 Ų14876%0.76278%0.784SS**  162.3126.9111.3-88.2167.952.500113.1
392N32.8Very low36.8Very low152 Ų152148.6 Ų148.681%0.81378%0.783SS**  trans45103.7145.4-63.1-11.4000120.6
393S32.7Very low37.6Very low113 Ų113144.7 Ų144.779%0.7977%0.772SS**  trans-172.279.9140.11780000110.3
394L45.8Very low38.2Very low180 Ų180141.9 Ų141.994%0.94276%0.762SS**  trans-94.588165.9-86.3165.7000107.9
395D43Very low38.9Very low150 Ų150142.7 Ų142.780%0.80276%0.764SS**  trans-160.532.4164.6-136.416.7000114.1
396F36.5Very low39.7Very low180 Ų180144.4 Ų144.479%0.78977%0.773SS**SBendtrans-142.933.4-175.3-125.6-86.7000116.4
397D45.6Very low40.6Very low137 Ų137144.6 Ų144.673%0.73377%0.77SS**SBendtrans-120.8-4.5176.7-105.7-4.1000115.2
398E49.8Very low41.3Very low182 Ų182146.2 Ų146.285%0.8577%0.767SS**SBendtrans-80.2-21.1179.8-159167.3-165.600112.9
399T47Very low41.9Very low104 Ų104143 Ų14364%0.63876%0.762SS**SBendtrans-86.5-20.7-177.6-50.30000113.4
400F42.1Very low42.6Very low169 Ų169150 Ų15074%0.74177%0.771SS**SBendtrans-93.2-3.8-174.5-124.7-91.6000114.8
401M51.7Low42.8Very low142 Ų142151 Ų15170%0.778%0.776SS**SBendtrans-93.4-10.8169.1-75.3-129.368.800113.7
402A44.8Very low43.3Very low80 Ų80152.1 Ų152.166%0.66178%0.782SS**SBendtrans-84.2-12.7-174.600000114.3
403T47.5Very low43.4Very low101 Ų101148.3 Ų148.362%0.6278%0.778SS**SBendtrans-108.3-4.3-173.652.60000114.9F405T403-F405 PolarHBondContact O-N 2.91Å
404S41.9Very low43.3Very low76 Ų76154.6 Ų154.653%0.53179%0.785SS.*G310 helixtrans-76.9-3.8179.763.20000114.6
405F46.8Very low42.8Very low186 Ų186152.9 Ų152.982%0.81678%0.776SS**G310 helixtrans-92.24.2-176.8-92.1-81.6000115.7T403T403-F405 PolarHBondContact O-N 2.91Å
406L46.8Very low42.3Very low169 Ų169151.4 Ų151.489%0.88577%0.769SS**G310 helixtrans-125.427.5-178.5-73.5176.8000114.9
407Q48.1Very low42.2Very low160 Ų160152.6 Ų152.675%0.74877%0.769SS**SBendtrans-133.939.2-179.2-158118.742.600115.6
408H45.9Very low41.7Very low183 Ų183154.6 Ų154.685%0.84778%0.779SS**  trans-143.7120155.9-71.8-62.6000111.6
409P41.7Very low40.8Very low116 Ų116151.2 Ų151.275%0.75378%0.775SS**  trans-63.7147.6168.9-15.829.8000110.8D411P409-D411 PolarHBondContact O-N 3.24Å; P409-D411 VanDerWaalsContact O-N 3.1Å
410W43.5Very low40.1Very low261 Ų261154.2 Ų154.299%0.98979%0.788SS**  trans-50.3112.6172.6-57.483.5000110.5
411D33.2Very low39.8Very low166 Ų166151.3 Ų151.389%0.88879%0.788SS**  trans-100.9118172.8-149.54.5000108.7P409P409-D411 PolarHBondContact O-N 3.24Å; P409-D411 VanDerWaalsContact O-N 3.1Å
412E42.3Very low38.9Very low188 Ų188151.1 Ų151.188%0.87980%0.795SS**  trans-99.1107.7-176.8-171.2138-158.400109
413G34.8Very low38.3Very low72 Ų72152.2 Ų152.274%0.74280%0.797SS**  trans87.7116157.600000117.8
414R31Very low37.8Very low245 Ų245153.6 Ų153.693%0.92581%0.805SS**  -174.5146.9104.7-147.6151.378.6-154.97111.9
415N35.8Very low37.8Very low143 Ų143157.5 Ų157.577%0.76582%0.82SS**  trans-64.6176.4177.9-79.3-51.9000114.9
416D31.7Very low37.7Very low120 Ų120157.3 Ų157.364%0.64282%0.822SS**  trans102.6111.4163.8-46-26.5000110.4
417Y34.8Very low37.5Very low204 Ų204155.7 Ų155.780%0.881%0.814SS**  -157.6128.550-67.1-94.7000110.8
418L35.3Very low37.1Very low180 Ų180156.3 Ų156.394%0.94281%0.814SS**  trans-155.890134.3-84.9-168.6000108.1
419S31.4Very low36.8Very low110 Ų110156.8 Ų156.877%0.76982%0.817SS**  trans-64.8125.5163.6-70.80000110.3
420N31.1Very low36.9Very low168 Ų168159 Ų15990%0.89882%0.821SS**  trans-135.9112.9139.1-104.7-13.3000107.9
421S35.2Very low36.5Very low108 Ų108153.9 Ų153.976%0.75581%0.813SS**  trans-77.1128.6-169.450.80000113.2
422V34.4Very low36.5Very low137 Ų137153.8 Ų153.883%0.8381%0.813SS**  trans-141.5115.5143.9-177.20000107.4
423S30.4Very low36.1Very low103 Ų103151.1 Ų151.172%0.7281%0.81SS**  trans-73.8127.2179.4-170.50000110.1
424V38.5Very low36.2Very low130 Ų130152.9 Ų152.979%0.78881%0.811SS**  trans-104.22.2179.8-129.80000113Q426V424-Q426 PolarHBondContact O-N 3.46Å
425D40.5Very low36.5Very low158 Ų158148.8 Ų148.885%0.84581%0.806SS**THydrogen-bonded Turntrans-97.131.1-173.4-68.4-34.4000114.1
426Q46.1Very low36.9Very low183 Ų183147.8 Ų147.886%0.85581%0.807SS**THydrogen-bonded Turntrans-141.827.4176.8-140.6173.311.400115.4V424V424-Q426 PolarHBondContact O-N 3.46Å
427L42.2Very low37.1Very low135 Ų135147.5 Ų147.571%0.70781%0.81SS**SBendtrans-141.4109.2173.3-145.872.2000111.1
428F39.1Very low37.1Very low172 Ų172144.3 Ų144.375%0.75481%0.807SS**  trans95.743.8172.4-48.6-69.5000118L430F428-L430 PolarHBondContact O-N 3.48Å
429E40.7Very low37.2Very low193 Ų193140.9 Ų140.990%0.90279%0.793SS**  -63.8104.4121.4-80.9-170.6157.200107.6
430L42.8Very low37.4Very low162 Ų162142.2 Ų142.285%0.84879%0.792SS**  trans165.979157.2-93.6165.5000107.7F428F428-L430 PolarHBondContact O-N 3.48Å
431N35.1Very low37.8Very low154 Ų154140.3 Ų140.382%0.82478%0.781SS**  trans-170.564.2143.9-15848.2000112.8
432D34Very low38.1Very low164 Ų164146.6 Ų146.688%0.87779%0.788SS**  trans-132.1100.4157.6-96.6-31.6000109
433T34Very low38.4Very low133 Ų133144.5 Ų144.582%0.81678%0.78SS**  trans-156.9111.9153.7-15.20000112.1
434S35.3Very low38.7Very low109 Ų109144.1 Ų144.176%0.76278%0.777SS**  trans64.7119.114560.10000122.2
435L38.3Very low39Very low158 Ų158144.4 Ų144.483%0.82778%0.779SS**  trans-42158.7149.7-67.8163.1000113.6
436P43.3Very low39Very low122 Ų122139.9 Ų139.979%0.79277%0.77SS**  -138.5147.996.834.8-20.2000116
437V37.6Very low38.8Very low114 Ų114135.9 Ų135.969%0.69176%0.762SS**  trans-27.9131.7149.1170.50000113.8
438D34.3Very low38.9Very low137 Ų137138.8 Ų138.873%0.73377%0.769SS**  177.8135.4107.7-116.8-24.5000115.7
439V36.8Very low38.9Very low108 Ų108142.3 Ų142.366%0.65580%0.795SS**  trans45.8130.8145.6-75.70000126.3
440N36.5Very low38.8Very low139 Ų139139.8 Ų139.874%0.74379%0.79SS**  trans87.7104131.3-66.4-9.8000122.1
441D38.2Very low38.6Very low127 Ų127138.6 Ų138.668%0.67979%0.787SS**  63.296.6112.4-155.714.9000118.7
442W41.1Very low38.8Very low240 Ų240137.8 Ų137.891%0.90979%0.785SS**  trans-137.678.4149.5-86.673000109.4
443S40.6Very low39.1Very low94 Ų94136.2 Ų136.266%0.65778%0.779SS**  trans-59.8142.7143.452.70000108.9
444S38.2Very low39.4Very low94 Ų94136.4 Ų136.466%0.65778%0.777SS**  trans92.886.4179.3-169.30000117.1
445V44.9Very low39.7Very low136 Ų136138.3 Ų138.382%0.82478%0.778SS**  -15291116.2-122.80000109.7
446G40.2Very low39.8Very low64 Ų64136.9 Ų136.966%0.6677%0.774SS**  trans-81.7153.614500000108.6
447S41.7Very low39.5Very low99 Ų99138 Ų13869%0.69277%0.773SS**  trans85.2101.8-174.7-46.40000113.7
448F43.3Very low39.7Very low195 Ų195140 Ų14086%0.85578%0.78SS**  -179.4123.3101.5-96.6-77.1000109.3
449L40Very low40.1Very low247 Ų247140.3 Ų140.3100%1.29378%0.784SS**  trans78.70171.3-70.7156.6000118.3

Retrieved 449 of 449 residues in 325.4 ms (Link to these results)