A0A087XKW1_POEFO Loading...

Forkhead box O1 a

AlphaFold DB , UniProt , Accession A0A087XKW1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 666 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.2Very low44.5Very low244 Ų244152.3 Ų152.3100%1.20286%0.855SS**  099.60-67.1146.7177.200105
2A41.4Very low44.5Very low108 Ų108155 Ų15589%0.89386%0.856SS**  79.386.46800000110.2
3E44.1Very low46Very low204 Ų204154.2 Ų154.295%0.95385%0.848SS**PPolyproline II helixtrans-95.3134.7174.7-166.5166.4111.900108.6
4A45.4Very low47.5Very low86 Ų86150.2 Ų150.271%0.71182%0.824SS**PPolyproline II helixtrans-101.2135.4-170.300000111.7
5A46Very low48.8Very low99 Ų99148.4 Ų148.482%0.81882%0.823SS**PPolyproline II helixtrans-72.2131178.700000111.9
6Q44.7Very low49.2Very low183 Ų183148.4 Ų148.486%0.85582%0.821SS**PPolyproline II helixtrans-69.8139.8166.1-74.993.36.400111.4
7Q42.1Very low49.8Very low180 Ų180148.9 Ų148.984%0.84181%0.813SS**PPolyproline II helixtrans-86.9152167-64.1-179.32.700110.2
8P46.9Very low50.9Low126 Ų126150.1 Ų150.182%0.81881%0.812SS**PPolyproline II helixtrans-70.9141.2174.429.9-34.4000111.5L10P8-L10 PolarHBondContact O-N 3.14Å
9H43.6Very low51.3Low174 Ų174147.7 Ų147.781%0.80681%0.805SS**PPolyproline II helixtrans-66.1117.7177.6-166.9-55.6000110.5
10L46.1Very low51.7Low157 Ų157148.4 Ų148.482%0.82281%0.807SS**PPolyproline II helixtrans-70128.9167.7-163.779.1000108.1P8P8-L10 PolarHBondContact O-N 3.14Å
11V50Low51.7Low114 Ų114147.1 Ų147.169%0.69181%0.81SS**  trans-86.7115.8172179.80000107.4I13V11-I13 PolarHBondContact O-N 2.97Å
12E44.4Very low52.5Low185 Ų185146.4 Ų146.486%0.86479%0.793SS**  trans-69.4125.8173.8-168161.3-154.100108.8
13I64.1Low52.9Low145 Ų145146.6 Ų146.674%0.74479%0.786SS**  trans-105123.7-178.3-62173.7000107.2V11V11-I13 PolarHBondContact O-N 2.97Å
14D67.1Low53.2Low98 Ų98148.9 Ų148.952%0.52479%0.785SS.*  trans-54.5119.1177.3-174.6-12.7000111D16 F17D14-D16 VanDerWaalsContact C-N 3.27Å; D14-D16 PolarHBondContact O-N 3.49Å; D14-D16 PolarHBondContact OD1-N 3.06Å; D14-F17 HydrophobicContact CB-CB 4.49Å
15P66.4Low53.5Low123 Ų123149.4 Ų149.480%0.79978%0.784SS**THydrogen-bonded Turntrans-70.5-19.5-177.729.6-35.7000113.7F17P15-F17 VanDerWaalsContact C-N 3.35Å
16D56.3Low53.6Low148 Ų148150.3 Ų150.379%0.79178%0.783SS**THydrogen-bonded Turntrans-91.57.3-178.1-73.3-26.7000113.1D14 E18D14-D16 VanDerWaalsContact C-N 3.27Å; D14-D16 PolarHBondContact O-N 3.49Å; D14-D16 PolarHBondContact OD1-N 3.06Å; D16-E18 PolarHBondContact O-N 2.98Å
17F59.7Low53.7Low158 Ų158147.5 Ų147.569%0.69378%0.779SS**  trans-76.380.2-178.9-158.5-86.9000113.1D14 P15 P19D14-F17 HydrophobicContact CB-CB 4.49Å; P15-F17 VanDerWaalsContact C-N 3.35Å; F17-P19 WeakPolarHBondContact O-CD 3.29Å
18E68.8Low54.3Low169 Ų169148.7 Ų148.779%0.7978%0.776SS**  trans-63.4120.3177.9-169.1179.3-154.700112.1D16 L20D16-E18 PolarHBondContact O-N 2.98Å; E18-L20 PolarHBondContact O-N 3.41Å
19P58.9Low54.6Low106 Ų106148.1 Ų148.169%0.68877%0.772SS**  trans-78.6106.6-174.429.9-34.1000112.1F17 S21F17-P19 WeakPolarHBondContact O-CD 3.29Å; P19-S21 PolarHBondContact O-N 3.05Å; P19-S21 VanDerWaalsContact O-N 3.16Å
20L59.8Low54.6Low160 Ų160146.3 Ų146.384%0.83877%0.767SS**  trans-49.9120.2179.9-83.877.6000112.9E18 R22E18-L20 PolarHBondContact O-N 3.41Å; L20-R22 PolarHBondContact O-N 3.04Å
21S50.7Low54.6Low123 Ų123144.5 Ų144.586%0.8677%0.765SS**  trans-64.3113.2178.4-77.70000112P19P19-S21 PolarHBondContact O-N 3.05Å; P19-S21 VanDerWaalsContact O-N 3.16Å
22R56.5Low54Low229 Ų229148.8 Ų148.886%0.86477%0.769SS**  trans-69.7142.1173.6-67-178.2178.7-120.3-1.4110.9L20 R24L20-R22 PolarHBondContact O-N 3.04Å; R22-R24 PolarHBondContact O-N 2.95Å
23P49.1Very low54.1Low112 Ų112145.5 Ų145.573%0.72776%0.764SS**  trans-62.9134.4-17924.6-33.9000112.3S25P23-S25 VanDerWaalsContact C-N 3.31Å; P23-S25 PolarHBondContact O-N 2.86Å
24R50Low53.3Low251 Ų251145.9 Ų145.995%0.94776%0.762SS**SBendtrans-79.565.3-176.5-70-174.7168.9-1510113R22R22-R24 PolarHBondContact O-N 2.95Å
25S51.6Low51.9Low98 Ų98151 Ų15169%0.68578%0.78SS**  trans-122.2-0.9177.155.40000115.2P23P23-S25 VanDerWaalsContact C-N 3.31Å; P23-S25 PolarHBondContact O-N 2.86Å
26C49.5Very low50.5Low118 Ų118152.6 Ų152.680%0.79778%0.78SS**SBendtrans-117.131.5-176.4-67.30000114.1
27T46.7Very low49.4Very low124 Ų124152.9 Ų152.976%0.76178%0.782SS**  trans-124.591.9178-50.70000111.2
28W53.7Low48.7Very low205 Ų205151.2 Ų151.278%0.77779%0.787SS**  trans-71149.5153.2-65.192.9000107.9L30W28-L30 HydrophobicContact CE3-CD2 4.5Å; W28-L30 HydrophobicContact CE3-CG 4.12Å; W28-L30 HydrophobicContact CZ3-CD2 3.82Å; W28-L30 HydrophobicContact CZ3-CG 3.85Å
29P53.7Low46.9Very low114 Ų114146.2 Ų146.274%0.7478%0.781SS**  cis-105.4173.541.838.5-37.2000116
30L44.8Very low45.6Very low135 Ų135148.5 Ų148.571%0.70779%0.787SS**PPolyproline II helixtrans-62.5141.9168.1-74.5157000111.2W28W28-L30 HydrophobicContact CE3-CD2 4.5Å; W28-L30 HydrophobicContact CE3-CG 4.12Å; W28-L30 HydrophobicContact CZ3-CD2 3.82Å; W28-L30 HydrophobicContact CZ3-CG 3.85Å
31P44.3Very low44.3Very low120 Ų120144.9 Ų144.978%0.77978%0.775SS**PPolyproline II helixtrans-68.6141167.129.9-33.4000110.9
32R38.5Very low43.5Very low204 Ų204146.2 Ų146.277%0.7777%0.773SS**PPolyproline II helixtrans-74142.5168.2172.7-179.6-80.7179.5-7.7109E34R32-E34 PolarHBondContact O-N 2.96Å
33P46.6Very low42.4Very low116 Ų116141.1 Ų141.175%0.75377%0.767SS**PPolyproline II helixtrans-69.4116.6168.728.2-33.3000109.9
34E46Very low41.5Very low153 Ų153141 Ų14172%0.71577%0.769SS**PPolyproline II helixtrans-83.3143.4172.1-68.4-57.9140.800110.7R32R32-E34 PolarHBondContact O-N 2.96Å
35F37.4Very low40.5Very low205 Ų205134.4 Ų134.490%0.89976%0.762SS**PPolyproline II helixtrans-80.5137.2178.6-80.2-99.4000111.1
36I39Very low40.4Very low156 Ų156135.1 Ų135.180%0.876%0.764SS**PPolyproline II helixtrans-94.2127172.4-61.3172.6000109.1
37N33.1Very low39.5Very low155 Ų155135.8 Ų135.883%0.82976%0.764SS**  trans-144.9155.7152.5-101.5-48.7000109.8
38P44Very low39.6Very low122 Ų122135.3 Ų135.379%0.79276%0.763SS**  trans-96.5154.7-149.936.4-37.4000115
39G31.6Very low38.7Very low65 Ų65131.1 Ų131.167%0.6777%0.765SS**  trans-175.199.6169.800000111.8
40D31.6Very low37.5Very low154 Ų154132.6 Ų132.682%0.82477%0.772SS**  trans39.3146.7150.4-62.1-48.8000123.1
41S32.3Very low37.1Very low83 Ų83134.3 Ų134.358%0.5877%0.773SS**  cis159.198.9-18.1-950000106.2
42N33.3Very low36.2Very low152 Ų152137.9 Ų137.981%0.81378%0.78SS**  trans69.6171.2162.3-39.7-60.8000116
43T32.8Very low35.7Very low122 Ų122134.9 Ų134.975%0.74877%0.774SS**  cis-14614913.158.30000114.5
44S31Very low35.9Very low109 Ų109134.9 Ų134.976%0.76277%0.774SS**  trans46.8118.1136.7-52.20000125.4
45S29.8Very low35.2Very low113 Ų113130.1 Ų130.179%0.7977%0.766SS**  9164.9117.8-57.50000122.4
46P48.2Very low34.9Very low112 Ų112127.3 Ų127.373%0.72777%0.765SS**  cis-146.2-178.9-29.141.9-22.4000116.9
47V32.1Very low34.4Very low132 Ų132122.5 Ų122.580%0.876%0.755SS**  trans23.5140.9136.3170.60000120.3
48P47.7Very low34.3Very low114 Ų114123 Ų12374%0.7476%0.757SS**  cis-148.5160.237.529.6-4000122.5
49S34.4Very low33.8Very low118 Ų118121.7 Ų121.783%0.82576%0.757SS**  35.8142128-154.60000126
50V28.4Very low33.8Very low145 Ų145127 Ų12788%0.87976%0.764SS**  trans-149.9164.5154.474.80000110.6
51K35.9Very low33.8Very low171 Ų171128 Ų12874%0.74376%0.761SS**  trans-150.3144.7-176.6-177.9-166.6172.8-1700113.8
52Q27.1Very low33.9Very low195 Ų195129.3 Ų129.391%0.91176%0.761SS**  trans-147.8173.3149.5-122.9170.36.700113.5
53E27.9Very low33.6Very low141 Ų141128.3 Ų128.366%0.65976%0.756SS**  trans-143.7179-166.8-112.7-105.5116.700107.4G55E53-G55 PolarHBondContact OE1-N 3.12Å
54P50.5Low33.2Very low116 Ų116128.4 Ų128.475%0.75375%0.752SS**  cis-146165.62442.5-22.3000120.6
55G31.2Very low33.1Very low52 Ų52129.9 Ų129.954%0.53675%0.75SS.*  98.6126.9115.100000123.3E53E53-G55 PolarHBondContact OE1-N 3.12Å
56V31.1Very low32.8Very low146 Ų146128.9 Ų128.989%0.88574%0.743SS**  trans58.3135.3145.7-165.20000119.1
57G28.8Very low31.8Very low56 Ų56130.8 Ų130.858%0.57775%0.746SS**  cis148.3152.9-2.900000112.9
58N30.5Very low31.8Very low164 Ų164131.4 Ų131.488%0.87774%0.744SS**  trans71.7156.9-175.7-38.5-80.2000114.6
59A34.3Very low31Very low96 Ų96134.3 Ų134.379%0.79375%0.748SS**  cis-140.61653.100000112.1
60E31.5Very low30.7Very low175 Ų175136.5 Ų136.582%0.81875%0.745SS**  trans-92.7-170.2174.9-53.7-176128.100112.6
61F31Very low30.9Very low176 Ų176134.8 Ų134.877%0.77273%0.731SS**  trans80.1142.1151.7-115.8-113.4000117.8
62I34.3Very low30.7Very low110 Ų110135.3 Ų135.356%0.56474%0.736SS**  cis-166.4172.6-33.2-149.9169.6000107.6
63N27.3Very low30.8Very low132 Ų132132.8 Ų132.871%0.70673%0.729SS**  trans65.8162.1165.5-83.9-14000116.9
64N24.8Very low30.9Very low124 Ų124133.8 Ų133.866%0.66373%0.731SS**  cis-161.4168.3-42.4-142.1-45000108.5
65L27.6Very low30Very low140 Ų140132 Ų13273%0.73372%0.719SS**  trans40114.9153.9-110.770.5000120.5
66S24.7Very low30.1Very low92 Ų92136.7 Ų136.764%0.64373%0.727SS**  68.1146.2117.1-76.40000124.2
67L27.7Very low30Very low152 Ų152137.7 Ų137.780%0.79672%0.721SS**  trans69.2149.2153.7-89.775.7000116.4
68L31Very low29.9Very low144 Ų144143.1 Ų143.175%0.75473%0.729SS**  cis-156.1-151.7-17.9-137.4-179.8000108.8
69E30.9Very low30.1Very low176 Ų176141.5 Ų141.582%0.82273%0.728SS**  trans80.4121.6-178.1-54.3175.4159.800112.5
70E28.8Very low30Very low164 Ų164141.7 Ų141.777%0.76672%0.719SS**  cis-144.2164.55.9-72.2-161114.200109.7
71N30.9Very low29.8Very low109 Ų109141.2 Ų141.258%0.58372%0.72SS**  cis-163.6-179.8-17-95.8-6.5000109.7
72E32.9Very low29.6Very low181 Ų181139.3 Ų139.385%0.84672%0.717SS**  trans11.8131.6148.6-58.2172.314400119.7
73D28.8Very low29.2Very low142 Ų142139.1 Ų139.176%0.75972%0.724SS**  cis-166-161.5-10.1-152.1-174.8000107.2
74F29.8Very low29.2Very low162 Ų162139.1 Ų139.171%0.71173%0.725SS**  cis-158.9-170.28.3-165.6-147.4000111.7
75T32.3Very low29.3Very low79 Ų79141 Ų14149%0.48573%0.729SS.*  trans-62.7164.2176.258.50000115.4
76E32.5Very low29.2Very low151 Ų151143.1 Ų143.171%0.70673%0.733SS**  cis-166.4175.1-11.7-106.7-179.784.600106.2
77Q29.8Very low29.5Very low166 Ų166145.8 Ų145.878%0.77674%0.735SS**  cis-157.3163.226.5-148.5150.262.600111.6
78K26.1Very low29.5Very low171 Ų171145.2 Ų145.274%0.74374%0.742SS**  trans-91.4169.9180-130.9-175.2179.1173.10111.5
79P35.6Very low29.5Very low130 Ų130146.9 Ų146.984%0.84475%0.746SS**  -138.7-176.659.831.2-8.4000116.1
80V30.7Very low29.6Very low99 Ų99147.2 Ų147.260%0.675%0.748SS**  trans-124.8137.4-173.8161.10000111.8
81I27.9Very low29.9Very low165 Ų165146.7 Ų146.785%0.84675%0.75SS**  trans-146.8125155.7-67.6-170.1000104.9
82L27.3Very low30.1Very low136 Ų136147.9 Ų147.971%0.71277%0.766SS**  cis88.2129.927.1-133.4176.6000113.6
83C25.3Very low30.5Very low106 Ų106145.6 Ų145.672%0.71676%0.764SS**  trans72.4152.4-178.7-59.30000116
84N26.9Very low31.2Very low133 Ų133147.6 Ų147.671%0.71177%0.768SS**  cis-147.2157.9-3.4-140.453.4000114.5
85E27.5Very low31.8Very low164 Ų164149 Ų14977%0.76678%0.777SS**  trans-66.2147.7161.1178.5-173.5146.700111.9
86F25.8Very low32.1Very low184 Ų184153.9 Ų153.981%0.80779%0.794SS**  trans-151.5150.9159.7-117.5-77.7000113.8
87Q31Very low32.5Very low147 Ų147150.5 Ų150.569%0.68779%0.792SS**  trans-77158.1-169.1-60.5162.3-3700114.8
88C28.1Very low33.2Very low140 Ų140151.2 Ų151.295%0.94680%0.795SS**  trans-138.990.9150.6-94.40000109.8
89Q30.9Very low34Very low179 Ų179151.1 Ų151.184%0.83680%0.798SS**  trans-115.686.2174.6-178.6-176.9-24.800110.2
90E33.6Very low34.3Very low184 Ų184152.8 Ų152.886%0.8679%0.794SS**  trans-162.8155.1159.3-119-175151.600111.9
91N34.4Very low34.8Very low152 Ų152155.8 Ų155.881%0.81380%0.801SS**  trans106.351.2-178.7-62.2-68.9000118
92C35.4Very low35.5Very low135 Ų135156 Ų15691%0.91280%0.799SS**  trans-118.128.6164.4-89.30000114
93V40Very low36.3Very low133 Ų133157.8 Ų157.881%0.80680%0.803SS**  trans-134.271179.9-1680000111.2
94H44.4Very low37Very low183 Ų183161 Ų16185%0.84781%0.808SS**SBendtrans-151.5-6.6170.2-109.982.1000116.4
95Q42.1Very low37.7Very low192 Ų192163.5 Ų163.590%0.89781%0.814SS**SBendtrans-92.9-12.7-174.2-164.6159.592.900114.7
96Q39.8Very low38.4Very low182 Ų182164.4 Ų164.485%0.8582%0.819SS**G310 helixtrans-88-13.8-170.6-157.3167.18.200114.7Q98Q96-Q98 PolarHBondContact O-N 3.31Å
97A40.4Very low39.3Very low80 Ų80164.4 Ų164.466%0.66182%0.821SS**G310 helixtrans-75-15.7-172.500000115.2
98Q44Very low39.6Very low180 Ų180166.5 Ų166.584%0.84183%0.831SS**G310 helixtrans-85.7-14.6-168.5-113.9178.6-3.800115.7Q96Q96-Q98 PolarHBondContact O-N 3.31Å
99Q43.8Very low40.2Very low170 Ų170169.3 Ų169.379%0.79483%0.83SS**SBendtrans-86.5-28.8-175-69.7-174.6-4.100114.3H101Q99-H101 VanDerWaalsContact C-N 3.29Å; Q99-H101 PolarHBondContact O-N 3.32Å
100Q41Very low40.3Very low165 Ų165169 Ų16977%0.77183%0.828SS**G310 helixtrans-67-27.8-173.9-71-176.2-16.100113.5H102 H103Q100-H102 PolarHBondContact O-N 3.22Å; Q100-H102 VanDerWaalsContact O-N 3.16Å; Q100-H103 PolarHBondContact O-N 3.4Å
101H40.5Very low40.6Very low161 Ų161168.2 Ų168.275%0.74583%0.825SS**G310 helixtrans-68.9-14.5-172.6-118.6-60.5000115.3Q99Q99-H101 VanDerWaalsContact C-N 3.29Å; Q99-H101 PolarHBondContact O-N 3.32Å
102H44Very low41.2Very low171 Ų171166.7 Ų166.779%0.79282%0.823SS**G310 helixtrans-85.8-24.3179.4-103.964.2000114.3Q100Q100-H102 PolarHBondContact O-N 3.22Å; Q100-H102 VanDerWaalsContact O-N 3.16Å
103H43.3Very low41Very low172 Ų172167.6 Ų167.680%0.79682%0.819SS**THydrogen-bonded Turntrans-83.3-20-172.3-98.887000114.7Q100Q100-H103 PolarHBondContact O-N 3.4Å
104Q39.5Very low41.1Very low175 Ų175166.4 Ų166.482%0.81881%0.814SS**G310 helixtrans-82.7-16.3-172-153.1-176.748.400114.3Q106Q104-Q106 VanDerWaalsContact C-N 3.32Å; Q104-Q106 PolarHBondContact O-N 2.9Å
105H42.7Very low40.6Very low185 Ų185167 Ų16786%0.85682%0.817SS**G310 helixtrans-88.314-169.7-147.378.4000115.1
106Q42.2Very low40.3Very low183 Ų183165.7 Ų165.786%0.85582%0.815SS**G310 helixtrans-120.87.9-174.3-151.7172.979.300114.7Q104Q104-Q106 VanDerWaalsContact C-N 3.32Å; Q104-Q106 PolarHBondContact O-N 2.9Å
107Q43.8Very low40.5Very low183 Ų183162.1 Ų162.186%0.85581%0.808SS**SBendtrans-128.761.1176.5-68.8-165.218.500114
108Q39Very low40.1Very low192 Ų192166.6 Ų166.690%0.89782%0.815SS**  trans-158.796152.9-125.3170.548.900112.7
109Q39Very low39.5Very low198 Ų198165.3 Ų165.393%0.92581%0.809SS**  trans-163.876.1164.8-132.4173108.400112.3
110Q34.6Very low38.8Very low172 Ų172164.8 Ų164.880%0.80481%0.806SS**  trans-144.1132165.2-78.6-159.28.500112.6
111H38.7Very low38.4Very low168 Ų168165.3 Ų165.378%0.77881%0.809SS**  trans71.9153.1162.6-65.8-58.4000120.4
112P46.4Very low38Very low120 Ų120164.8 Ų164.878%0.77981%0.807SS**  trans-123.2175.8-142.342.9-30.3000115.8
113N31.5Very low37.4Very low155 Ų155165 Ų16583%0.82981%0.808SS**  trans-110.5131.8-177.8-176.555000113.4
114P43.5Very low36.7Very low107 Ų107165 Ų16570%0.69581%0.809SS**  trans-78.3-178.6167.7-16.533000114.7
115Q33.3Very low36.5Very low197 Ų197162.4 Ų162.492%0.92180%0.804SS**  trans-96.8161.4-167.7-64.6-178.1-91.400116.5
116L35.7Very low36.4Very low163 Ų163159.5 Ų159.585%0.85380%0.802SS**  trans-61.5159.6169.5-82.8158.2000114.1
117P43.8Very low35.9Very low108 Ų108158 Ų15870%0.70180%0.799SS**  -148.6142.7100.636.4-19.2000118.5
118H32.3Very low35.4Very low173 Ų173156 Ų15680%0.80179%0.793SS**  trans48.4124.7137-64.380.3000124.4
119Q30.4Very low35.2Very low153 Ų153152.4 Ų152.472%0.71579%0.79SS**  trans173.5121.9131.2-90.8-68.283.400106.5
120Q30.6Very low35.2Very low159 Ų159149.1 Ų149.174%0.74378%0.783SS**  73.2104.960.3-169.3-170.794.600115.4
121Q32.4Very low35.9Very low177 Ų177146.3 Ų146.383%0.82778%0.779SS**  -164.2-177129.6-158.4135.831.600111.1
122Q30.5Very low35.8Very low150 Ų150144.9 Ų144.970%0.70178%0.783SS**  trans-126.6147.5-160.5-49.5144.5-44.700112.7
123Q31.5Very low35.2Very low175 Ų175142.9 Ų142.982%0.81878%0.784SS**  trans169.6161.4133.2-99.7128.138.500108.7
124Q30.5Very low35.9Very low173 Ų173140.6 Ų140.681%0.80878%0.78SS**  cis174.2142.8-31.2177.8162.1-800103.6
125V33.3Very low36Very low119 Ų119140.8 Ų140.872%0.72178%0.783SS**  trans-79.1164-172.2-62.60000113.5
126P42.2Very low36.9Very low125 Ų125137.3 Ų137.381%0.81278%0.778SS**  -131.4166.399.711.79.7000115.8
127L32.1Very low37.8Very low151 Ų151133.5 Ų133.579%0.79177%0.765SS**  trans-83.1178.5171.7-52.4167.8000109.4
128L32.3Very low38.4Very low140 Ų140132.2 Ų132.273%0.73376%0.763SS**  cis-165.6144.620-176.866.4000110
129S33.8Very low39.5Very low118 Ų118127.6 Ų127.683%0.82576%0.756SS**  trans175140.1132.9-79.50000113.6
130T39.3Very low40.7Very low129 Ų129123.4 Ų123.479%0.79175%0.747SS**  trans-98.1173.3179.840.20000110.3
131P49.3Very low41.9Very low112 Ų112118.6 Ų118.673%0.72774%0.735SS**  cis-150.9168.531.745.5-24.1000121.2
132V36.6Very low43.1Very low139 Ų139113.1 Ų113.184%0.84272%0.72SS**  trans22.8134.3164.3-113.40000122.8
133G34.3Very low44.4Very low78 Ų78109 Ų10980%0.80471%0.711SS**  trans-172.777.2164.900000113.7
134S46.2Very low45.6Very low107 Ų107103.3 Ų103.375%0.74869%0.694SS**  trans-75.9133.1-172.2-520000114.2
135S44.8Very low46.9Very low110 Ų11097.5 Ų97.577%0.76968%0.676SS**  trans-162.5102.8167.1-88.40000114.7S137S135-S137 VanDerWaalsContact C-N 3.32Å; S135-S137 PolarHBondContact O-N 3.28Å
136P52.3Low47.9Very low125 Ų12594.6 Ų94.681%0.81266%0.664SS**  trans-89.116.4175.736-35.3000114.2
137S55.6Low48.4Very low82 Ų8291.7 Ų91.757%0.57365%0.65SS**Hα-helixtrans-83.2-34-167.5-166.40000114.8S135 A139 A140 A141S135-S137 VanDerWaalsContact C-N 3.32Å; S135-S137 PolarHBondContact O-N 3.28Å; S137-A139 PolarHBondContact O-N 3.26Å; S137-A140 PolarHBondContact O-N 3.01Å; S137-A141 PolarHBondContact O-N 2.7Å
138A55.3Low49.2Very low81 Ų8191.5 Ų91.567%0.66965%0.646SS**Hα-helixtrans-60.9-41.7-170.400000113.8A141 A142A138-A141 PolarHBondContact O-N 3.21Å; A138-A142 WeakPolarHBondContact O-CB 3.38Å; A138-A142 PolarHBondContact O-N 3.46Å
139A56.6Low50Low77 Ų7794.6 Ų94.664%0.63665%0.648SS**Hα-helixtrans-67.6-38.8178.800000112.4S137 A142 A143S137-A139 PolarHBondContact O-N 3.26Å; A139-A142 PolarHBondContact O-N 2.8Å; A139-A143 WeakPolarHBondContact O-CB 3.14Å; A139-A143 PolarHBondContact O-N 3.23Å
140A55.2Low50.5Low65 Ų6598.1 Ų98.154%0.53765%0.648SS.*Hα-helixtrans-68.2-41176.800000111.8S137 A143 A144S137-A140 PolarHBondContact O-N 3.01Å; A140-A143 PolarHBondContact O-N 2.89Å; A140-A144 WeakPolarHBondContact O-CB 3.3Å; A140-A144 PolarHBondContact O-N 3.33Å
141A56.8Low50.8Low58 Ų5896.6 Ų96.648%0.47964%0.643SS.*Hα-helixtrans-63.1-42.6174.300000112.1S137 A138 A144 A145S137-A141 PolarHBondContact O-N 2.7Å; A138-A141 PolarHBondContact O-N 3.21Å; A141-A144 PolarHBondContact O-N 3.5Å; A141-A145 WeakPolarHBondContact O-CB 3.44Å; A141-A145 PolarHBondContact O-N 3.46Å
142A57.6Low50.8Low62 Ų6293.9 Ų93.951%0.51263%0.626SS.*Hα-helixtrans-63.5-42.3174.800000112.2A138 A139 A145 A146A138-A142 WeakPolarHBondContact O-CB 3.38Å; A138-A142 PolarHBondContact O-N 3.46Å; A139-A142 PolarHBondContact O-N 2.8Å; A142-A145 PolarHBondContact O-N 3.32Å; A142-A146 WeakPolarHBondContact O-CB 3.49Å; A142-A146 PolarHBondContact O-N 3.48Å
143A57.8Low51.5Low62 Ų6292.5 Ų92.551%0.51262%0.623SS.*Hα-helixtrans-64.3-41.4175.800000112.4A139 A140 A146 A147A139-A143 WeakPolarHBondContact O-CB 3.14Å; A139-A143 PolarHBondContact O-N 3.23Å; A140-A143 PolarHBondContact O-N 2.89Å; A143-A146 PolarHBondContact O-N 3.12Å; A143-A147 WeakPolarHBondContact O-CB 3.38Å; A143-A147 PolarHBondContact O-N 3Å
144A56.8Low52.6Low56 Ų5693.7 Ų93.746%0.46362%0.619SS.*Hα-helixtrans-64-42.6174.600000112A140 A141 A146 A147 Q148A140-A144 WeakPolarHBondContact O-CB 3.3Å; A140-A144 PolarHBondContact O-N 3.33Å; A141-A144 PolarHBondContact O-N 3.5Å; A144-A146 VanDerWaalsContact C-N 3.33Å; A144-A146 PolarHBondContact O-N 3.17Å; A144-A147 PolarHBondContact O-N 3.15Å; A144-Q148 WeakPolarHBondContact O-CG 3.35Å; A144-Q148 PolarHBondContact O-N 3.18Å
145A56.2Low53.1Low52 Ų52100 Ų10043%0.4363%0.626SS.*Hα-helixtrans-64.1-35.4174.500000112.6A141 A142 R149A141-A145 WeakPolarHBondContact O-CB 3.44Å; A141-A145 PolarHBondContact O-N 3.46Å; A142-A145 PolarHBondContact O-N 3.32Å; A145-R149 WeakPolarHBondContact O-CG 3.46Å; A145-R149 PolarHBondContact O-N 3.33Å
146A54.8Low54.5Low57 Ų57102.5 Ų102.547%0.47162%0.619SS.*Hα-helixtrans-69.5-41.4173.700000112.3A142 A143 A144 Q148 R149 K150A142-A146 WeakPolarHBondContact O-CB 3.49Å; A142-A146 PolarHBondContact O-N 3.48Å; A143-A146 PolarHBondContact O-N 3.12Å; A144-A146 VanDerWaalsContact C-N 3.33Å; A144-A146 PolarHBondContact O-N 3.17Å; A146-Q148 VanDerWaalsContact C-N 3.35Å; A146-Q148 PolarHBondContact O-N 2.97Å; A146-R149 PolarHBondContact O-N 3.16Å; A146-K150 PolarHBondContact O-N 3.41Å; A146-K150 VanDerWaalsContact O-N 3.09Å
147A51.8Low56.1Low64 Ų6499.7 Ų99.753%0.52960%0.597SS.*Hα-helixtrans-60.5-42.8175.700000112A143 A144 R149 K150A143-A147 WeakPolarHBondContact O-CB 3.38Å; A143-A147 PolarHBondContact O-N 3Å; A144-A147 PolarHBondContact O-N 3.15Å; A147-R149 PolarHBondContact O-N 3.12Å; A147-K150 PolarHBondContact O-N 2.9Å
148Q49Very low57.5Low148 Ų14899.2 Ų99.269%0.69260%0.598SS**Hα-helixtrans-60.7-29.5173.3-72.4-63.4-48.500113.2A144 A146A144-Q148 WeakPolarHBondContact O-CG 3.35Å; A144-Q148 PolarHBondContact O-N 3.18Å; A146-Q148 VanDerWaalsContact C-N 3.35Å; A146-Q148 PolarHBondContact O-N 2.97Å
149R49.7Very low59.1Low205 Ų20597.7 Ų97.777%0.77458%0.575SS**Hα-helixtrans-79.1-28.8176.3-70.3176.5-176.6-156.70.1113.1A145 A146 A147 S151 S152A145-R149 WeakPolarHBondContact O-CG 3.46Å; A145-R149 PolarHBondContact O-N 3.33Å; A146-R149 PolarHBondContact O-N 3.16Å; A147-R149 PolarHBondContact O-N 3.12Å; R149-S151 VanDerWaalsContact C-N 3.35Å; R149-S151 PolarHBondContact O-N 3.3Å; R149-S152 PolarHBondContact O-N 3.37Å
150K44.1Very low60.7Low191 Ų19195.4 Ų95.483%0.8356%0.558SS**Hα-helixtrans-75.4-18.8-179-159.262.5171.6-179.10114.3A146 A147A146-K150 PolarHBondContact O-N 3.41Å; A146-K150 VanDerWaalsContact O-N 3.09Å; A147-K150 PolarHBondContact O-N 2.9Å
151S46.5Very low62.4Low98 Ų9899 Ų9969%0.68557%0.568SS**THydrogen-bonded Turntrans-92.7-6.5171.4-165.80000113.6R149 S153R149-S151 VanDerWaalsContact C-N 3.35Å; R149-S151 PolarHBondContact O-N 3.3Å; S151-S153 PolarHBondContact O-N 3.13Å
152S48.5Very low64Low54 Ų5498.7 Ų98.738%0.37856%0.558SS.*THydrogen-bonded Turntrans-79.930.9-173-166.20000114.8R149 R156R149-S152 PolarHBondContact O-N 3.37Å; S152-R156 PolarHBondContact OG-NH1 3.18Å; S152-R156 VanDerWaalsContact OG-NH1 3.15Å; S152-R156 PolarHBondContact OG-NH2 2.89Å
153S50.8Low65.8Low110 Ų11097.7 Ų97.777%0.76955%0.547SS*.THydrogen-bonded Turntrans-125.25179.9-162.60000114.3S151 R155S151-S153 PolarHBondContact O-N 3.13Å; S153-R155 PolarHBondContact O-N 3.01Å
154S57.8Low67.6Low104 Ų10496.6 Ų96.673%0.72753%0.53SS*.SBendtrans-69.3124.3152.7-172.40000108R156S154-R156 PolarHBondContact O-N 3.35Å
155R57.2Low69.4Low238 Ų23894 Ų9490%0.89851%0.508SS*.  trans-61.5101.9-170.6-76.7-174.8-86.7-140.5-2.7110.7S153S153-R155 PolarHBondContact O-N 3.01Å
156R74.9Confident71.3Confident164 Ų16494.2 Ų94.262%0.61950%0.502SS*.  trans-65.6132170.8-65.3177.4-178.8151.84.3108.1S152 S154S152-R156 PolarHBondContact OG-NH1 3.18Å; S152-R156 VanDerWaalsContact OG-NH1 3.15Å; S152-R156 PolarHBondContact OG-NH2 2.89Å; S154-R156 PolarHBondContact O-N 3.35Å
157N85.6Confident73.2Confident66 Ų6691.6 Ų91.635%0.35348%0.481SS..BIsolated β-bridgetrans-67.3161.5174.5-60.7-51000109.5W159 G160 M162N157-W159 HydrophobicContact CB-CD2 3.57Å; N157-W159 HydrophobicContact CB-CE3 3.95Å; N157-W159 HydrophobicContact CB-CG 4.1Å; N157-W159 HydrophobicContact CB-CH2 3.87Å; N157-W159 HydrophobicContact CB-CZ2 3.49Å; N157-W159 VanDerWaalsContact CB-CZ2 3.49Å; N157-W159 HydrophobicContact CB-CZ3 4.09Å; N157-W159 VanDerWaalsContact CG-CZ2 3.4Å; N157-W159 PolarHBondContact O-N 3.18Å; N157-G160 PolarHBondContact N-O 3.01Å; N157-G160 PolarHBondContact O-N 3.36Å; N157-M162 PolarHBondContact ND2-O 3.28Å; N157-M162 VanDerWaalsContact ND2-O 3.09Å
158A85.4Confident75.4Confident71 Ų7188.6 Ų88.659%0.58746%0.455SS*.THydrogen-bonded Turntrans-62.6-15.8177.700000113.5Y195A158-Y195 HydrophobicContact CB-CD1 4.49Å; A158-Y195 HydrophobicContact CB-CD2 3.54Å; A158-Y195 HydrophobicContact CB-CE1 4.29Å; A158-Y195 HydrophobicContact CB-CE2 3.29Å; A158-Y195 HydrophobicContact CB-CG 4.15Å
159W87.3Confident77.6Confident50 Ų5082.4 Ų82.419%0.18943%0.428CS..THydrogen-bonded Turntrans-100.69.7172.159.483.9000114.4N157 M162 Y164 L167 V193 Y195 F196N157-W159 HydrophobicContact CB-CD2 3.57Å; N157-W159 HydrophobicContact CB-CE3 3.95Å; N157-W159 HydrophobicContact CB-CG 4.1Å; N157-W159 HydrophobicContact CB-CH2 3.87Å; N157-W159 HydrophobicContact CB-CZ2 3.49Å; N157-W159 VanDerWaalsContact CB-CZ2 3.49Å; N157-W159 HydrophobicContact CB-CZ3 4.09Å; N157-W159 VanDerWaalsContact CG-CZ2 3.4Å; N157-W159 PolarHBondContact O-N 3.18Å; W159-M162 PolarHBondContact NE1-O 2.82Å; W159-Y164 HydrophobicContact CH2-CD2 4.39Å; W159-Y164 AromaticContact CH2-CE1 3.96Å; W159-Y164 HydrophobicContact CH2-CE1 3.96Å; W159-Y164 AromaticContact CH2-CE2 3.61Å; W159-Y164 HydrophobicContact CH2-CE2 3.61Å; W159-Y164 AromaticContact CH2-CZ 3.37Å; W159-Y164 WeakPolarHBondContact CH2-OH 3.38Å; W159-Y164 HydrophobicContact CZ2-CD1 4.26Å; W159-Y164 HydrophobicContact CZ2-CD2 4.14Å; W159-Y164 AromaticContact CZ2-CE1 3.95Å; W159-Y164 HydrophobicContact CZ2-CE1 3.95Å; W159-Y164 AromaticContact CZ2-CE2 3.8Å; W159-Y164 HydrophobicContact CZ2-CE2 3.8Å; W159-Y164 HydrophobicContact CZ2-CG 4.37Å; W159-Y164 AromaticContact CZ2-CZ 3.72Å; W159-L167 HydrophobicContact CG-CD1 4.31Å; W159-V193 HydrophobicContact CB-CG1 3.49Å; W159-V193 VanDerWaalsContact CB-CG1 3.49Å; W159-V193 HydrophobicContact CG-CG1 4.29Å; W159-Y195 HydrophobicContact CB-CG 4.42Å; W159-Y195 AromaticContact CE3-CD1 3.73Å; W159-Y195 HydrophobicContact CE3-CD1 3.73Å; W159-Y195 AromaticContact CE3-CE1 3.91Å; W159-Y195 HydrophobicContact CE3-CE1 3.91Å; W159-Y195 HydrophobicContact CE3-CG 4.48Å; W159-Y195 HydrophobicContact CZ3-CD1 4.44Å; W159-Y195 HydrophobicContact CZ3-CE1 4.19Å; W159-F196 HydrophobicContact CB-CE2 4.49Å; W159-F196 AromaticContact CD2-CE2 3.99Å; W159-F196 HydrophobicContact CD2-CE2 3.99Å; W159-F196 HydrophobicContact CD2-CZ 4.05Å; W159-F196 AromaticContact CE3-CE2 3.95Å; W159-F196 HydrophobicContact CE3-CE2 3.95Å; W159-F196 AromaticContact CE3-CZ 3.58Å; W159-F196 HydrophobicContact CE3-CZ 3.58Å; W159-F196 HydrophobicContact CG-CE2 4.26Å; W159-F196 HydrophobicContact CH2-CZ 4.44Å; W159-F196 AromaticContact CZ3-CZ 3.8Å; W159-F196 HydrophobicContact CZ3-CZ 3.8Å
160G90.4Very high79.8Confident28 Ų2877.1 Ų77.129%0.28941%0.41SS..BIsolated β-bridgetrans109.2-147.8176.500000114.8N157N157-G160 PolarHBondContact N-O 3.01Å; N157-G160 PolarHBondContact O-N 3.36Å
161N91.4Very high82.3Confident140 Ų14068 Ų6875%0.74937%0.371SS*.SBendtrans-95.5-10.5-17264.4-29.3000115.1
162M91.2Very high84.7Confident52 Ų5263.3 Ų63.326%0.25634%0.338SS..  trans-69.9140.3173.1-101.8100.466.400111.5N157 W159 D166 L167 K170N157-M162 PolarHBondContact ND2-O 3.28Å; N157-M162 VanDerWaalsContact ND2-O 3.09Å; W159-M162 PolarHBondContact NE1-O 2.82Å; M162-D166 HydrophobicContact CB-CB 4.15Å; M162-D166 HydrophobicContact CG-CB 3.56Å; M162-L167 HydrophobicContact CB-CD2 3.86Å; M162-L167 HydrophobicContact CB-CG 4.04Å; M162-L167 HydrophobicContact CE-CD2 3.7Å; M162-L167 HydrophobicContact CG-CD2 4.2Å; M162-K170 HydrophobicContact CE-CD 4.19Å; M162-K170 HydrophobicContact SD-CD 4.48Å; M162-K170 PolarHBondContact SD-NZ 2.89Å
163S94.4Very high86.9Confident42 Ų4265.9 Ų65.929%0.29434%0.344SS..  trans-75.1167163.374.60000111.2A165 D166 L167S163-A165 PolarHBondContact O-N 2.83Å; S163-A165 PolarHBondContact OG-N 3.14Å; S163-D166 VanDerWaalsContact CB-OD2 3.28Å; S163-D166 WeakPolarHBondContact CB-OD2 3.47Å; S163-D166 PolarHBondContact N-OD2 2.89Å; S163-D166 PolarHBondContact O-N 3.26Å; S163-D166 VanDerWaalsContact O-N 3.16Å; S163-D166 PolarHBondContact OG-N 3.24Å; S163-D166 PolarHBondContact OG-OD2 2.94Å; S163-L167 PolarHBondContact O-N 2.92Å; S163-L167 VanDerWaalsContact O-N 3.09Å
164Y95.4Very high89.1Confident39 Ų3964.1 Ų64.115%0.15333%0.331CS..Hα-helixtrans-57.3-39.6171.8-79.7-63000112.1W159 D166 L167 I168 F196 I212W159-Y164 HydrophobicContact CH2-CD2 4.39Å; W159-Y164 AromaticContact CH2-CE1 3.96Å; W159-Y164 HydrophobicContact CH2-CE1 3.96Å; W159-Y164 AromaticContact CH2-CE2 3.61Å; W159-Y164 HydrophobicContact CH2-CE2 3.61Å; W159-Y164 AromaticContact CH2-CZ 3.37Å; W159-Y164 WeakPolarHBondContact CH2-OH 3.38Å; W159-Y164 HydrophobicContact CZ2-CD1 4.26Å; W159-Y164 HydrophobicContact CZ2-CD2 4.14Å; W159-Y164 AromaticContact CZ2-CE1 3.95Å; W159-Y164 HydrophobicContact CZ2-CE1 3.95Å; W159-Y164 AromaticContact CZ2-CE2 3.8Å; W159-Y164 HydrophobicContact CZ2-CE2 3.8Å; W159-Y164 HydrophobicContact CZ2-CG 4.37Å; W159-Y164 AromaticContact CZ2-CZ 3.72Å; Y164-D166 VanDerWaalsContact C-N 3.33Å; Y164-D166 PolarHBondContact O-N 2.9Å; Y164-L167 PolarHBondContact O-N 2.91Å; Y164-I168 WeakPolarHBondContact O-CD1 3.42Å; Y164-I168 WeakPolarHBondContact O-CG1 3.19Å; Y164-I168 PolarHBondContact O-N 2.97Å; Y164-F196 HydrophobicContact CE1-CE2 4.34Å; Y164-F196 AromaticContact CE1-CZ 3.81Å; Y164-F196 HydrophobicContact CE1-CZ 3.81Å; Y164-I212 HydrophobicContact CD1-CD1 3.59Å; Y164-I212 HydrophobicContact CD1-CG1 4.47Å; Y164-I212 HydrophobicContact CE1-CD1 4.21Å; Y164-I212 HydrophobicContact CG-CD1 4.35Å
165A95.3Very high90.8Very high0 Ų059.6 Ų59.60%030%0.3CS..Hα-helixtrans-60.7-40.817600000112.2S163 L167 I168 T169 N215 F222S163-A165 PolarHBondContact O-N 2.83Å; S163-A165 PolarHBondContact OG-N 3.14Å; A165-L167 VanDerWaalsContact C-N 3.35Å; A165-L167 PolarHBondContact O-N 3.24Å; A165-I168 PolarHBondContact O-N 3.45Å; A165-T169 PolarHBondContact O-N 3.47Å; A165-T169 PolarHBondContact O-OG1 2.84Å; A165-T169 VanDerWaalsContact O-OG1 3.05Å; A165-N215 PolarHBondContact N-OD1 3.09Å; A165-F222 HydrophobicContact CB-CE2 4.15Å; A165-F222 HydrophobicContact CB-CZ 4.2Å; A165-F222 WeakPolarHBondContact O-CZ 3.14Å
166D95.4Very high92.5Very high57 Ų5754.5 Ų54.531%0.30530%0.298SS..Hα-helixtrans-72.3-30.5-179.8-47.7-46000112.2M162 S163 Y164 K170 R221M162-D166 HydrophobicContact CB-CB 4.15Å; M162-D166 HydrophobicContact CG-CB 3.56Å; S163-D166 VanDerWaalsContact CB-OD2 3.28Å; S163-D166 WeakPolarHBondContact CB-OD2 3.47Å; S163-D166 PolarHBondContact N-OD2 2.89Å; S163-D166 PolarHBondContact O-N 3.26Å; S163-D166 VanDerWaalsContact O-N 3.16Å; S163-D166 PolarHBondContact OG-N 3.24Å; S163-D166 PolarHBondContact OG-OD2 2.94Å; Y164-D166 VanDerWaalsContact C-N 3.33Å; Y164-D166 PolarHBondContact O-N 2.9Å; D166-K170 WeakPolarHBondContact O-CG 3.4Å; D166-K170 PolarHBondContact O-N 3.45Å; D166-K170 VanDerWaalsContact O-N 3.13Å; D166-R221 IonicContact OD1-NH1 3.96Å; D166-R221 IonicContact OD1-NH2 3.79Å
167L95.7Very high93.2Very high3 Ų351.8 Ų51.82%0.01629%0.292CS..Hα-helixtrans-68-42.8169.5-65.9-179.8000111.6W159 M162 S163 Y164 A165 T169 K170 A171 W188 M189 V193 F196W159-L167 HydrophobicContact CG-CD1 4.31Å; M162-L167 HydrophobicContact CB-CD2 3.86Å; M162-L167 HydrophobicContact CB-CG 4.04Å; M162-L167 HydrophobicContact CE-CD2 3.7Å; M162-L167 HydrophobicContact CG-CD2 4.2Å; S163-L167 PolarHBondContact O-N 2.92Å; S163-L167 VanDerWaalsContact O-N 3.09Å; Y164-L167 PolarHBondContact O-N 2.91Å; A165-L167 VanDerWaalsContact C-N 3.35Å; A165-L167 PolarHBondContact O-N 3.24Å; L167-T169 VanDerWaalsContact C-N 3.35Å; L167-K170 PolarHBondContact O-N 2.87Å; L167-A171 WeakPolarHBondContact O-CB 3.17Å; L167-A171 PolarHBondContact O-N 3.39Å; L167-W188 HydrophobicContact CB-CZ3 4.28Å; L167-W188 HydrophobicContact CD2-CZ3 4.46Å; L167-W188 WeakPolarHBondContact O-CZ3 3.42Å; L167-M189 HydrophobicContact CB-CE 3.51Å; L167-M189 HydrophobicContact CB-SD 3.74Å; L167-M189 HydrophobicContact CD1-SD 3.91Å; L167-M189 HydrophobicContact CG-SD 4.44Å; L167-V193 HydrophobicContact CD1-CG2 4.2Å; L167-V193 HydrophobicContact CD2-CG2 3.88Å; L167-F196 HydrophobicContact CD1-CE2 4.45Å
168I96.6Very high93.6Very high0 Ų052.8 Ų52.80%030%0.297CS..Hα-helixtrans-63.3-41.7176.2-67.4159.6000110.6Y164 A165 A171 I172 I185 M189 I212 N215 L216 F222Y164-I168 WeakPolarHBondContact O-CD1 3.42Å; Y164-I168 WeakPolarHBondContact O-CG1 3.19Å; Y164-I168 PolarHBondContact O-N 2.97Å; A165-I168 PolarHBondContact O-N 3.45Å; I168-A171 WeakPolarHBondContact O-CB 3.48Å; I168-A171 PolarHBondContact O-N 3.36Å; I168-I172 HydrophobicContact CG2-CD1 3.93Å; I168-I172 WeakPolarHBondContact O-CG1 3.34Å; I168-I172 PolarHBondContact O-N 2.93Å; I168-I185 HydrophobicContact CG1-CG2 4.29Å; I168-M189 HydrophobicContact CB-CE 4.49Å; I168-M189 HydrophobicContact CG1-CE 3.77Å; I168-I212 HydrophobicContact CD1-CD1 3.93Å; I168-I212 HydrophobicContact CD1-CG2 4.23Å; I168-I212 HydrophobicContact CG1-CD1 3.88Å; I168-I212 HydrophobicContact CG1-CG2 4.4Å; I168-N215 HydrophobicContact CD1-CB 3.59Å; I168-L216 HydrophobicContact CD1-CD2 4.46Å; I168-L216 HydrophobicContact CD1-CG 4.2Å; I168-L216 HydrophobicContact CG2-CD2 3.58Å; I168-L216 HydrophobicContact CG2-CG 4.43Å; I168-F222 HydrophobicContact CB-CE1 4.1Å; I168-F222 HydrophobicContact CB-CE2 4.44Å; I168-F222 HydrophobicContact CB-CZ 3.83Å; I168-F222 HydrophobicContact CG2-CD1 3.9Å; I168-F222 HydrophobicContact CG2-CE1 3.46Å; I168-F222 VanDerWaalsContact CG2-CE1 3.46Å; I168-F222 HydrophobicContact CG2-CE2 4.14Å; I168-F222 HydrophobicContact CG2-CG 4.42Å; I168-F222 HydrophobicContact CG2-CZ 3.6Å
169T96.3Very high94Very high18 Ų1853.5 Ų53.511%0.1129%0.285CS..Hα-helixtrans-55.1-53.2173.3-65.40000110.6A165 L167 A171 I172 E173 L238A165-T169 PolarHBondContact O-N 3.47Å; A165-T169 PolarHBondContact O-OG1 2.84Å; A165-T169 VanDerWaalsContact O-OG1 3.05Å; L167-T169 VanDerWaalsContact C-N 3.35Å; T169-A171 VanDerWaalsContact C-N 3.31Å; T169-A171 PolarHBondContact O-N 3.29Å; T169-I172 PolarHBondContact O-N 3.21Å; T169-E173 HydrophobicContact CG2-CG 4.33Å; T169-E173 WeakPolarHBondContact CG2-OE1 3.41Å; T169-E173 WeakPolarHBondContact O-CB 3.48Å; T169-E173 WeakPolarHBondContact O-CG 3.41Å; T169-E173 PolarHBondContact O-N 2.98Å; T169-L238 HydrophobicContact CG2-CD1 4.06Å; T169-L238 HydrophobicContact CG2-CD2 4.04Å
170K95.8Very high94.4Very high94 Ų9451.9 Ų51.941%0.40928%0.28SS..Hα-helixtrans-63.7-32.1178-73.6179.9175-177.80113.9M162 D166 L167 S174 W188M162-K170 HydrophobicContact CE-CD 4.19Å; M162-K170 HydrophobicContact SD-CD 4.48Å; M162-K170 PolarHBondContact SD-NZ 2.89Å; D166-K170 WeakPolarHBondContact O-CG 3.4Å; D166-K170 PolarHBondContact O-N 3.45Å; D166-K170 VanDerWaalsContact O-N 3.13Å; L167-K170 PolarHBondContact O-N 2.87Å; K170-S174 WeakPolarHBondContact O-CB 3.23Å; K170-S174 PolarHBondContact O-N 3.06Å; K170-S174 PolarHBondContact O-OG 3.47Å; K170-W188 HydrophobicContact CB-CH2 3.75Å; K170-W188 HydrophobicContact CB-CZ2 3.89Å
171A96.9Very high94.7Very high0 Ų051 Ų510%027%0.269CS..Hα-helixtrans-60.6-52.7172.700000110.8L167 I168 T169 S174 L180 W188L167-A171 WeakPolarHBondContact O-CB 3.17Å; L167-A171 PolarHBondContact O-N 3.39Å; I168-A171 WeakPolarHBondContact O-CB 3.48Å; I168-A171 PolarHBondContact O-N 3.36Å; T169-A171 VanDerWaalsContact C-N 3.31Å; T169-A171 PolarHBondContact O-N 3.29Å; A171-S174 PolarHBondContact O-N 3.4Å; A171-S174 PolarHBondContact O-OG 3.3Å; A171-L180 HydrophobicContact CB-CD1 4Å; A171-L180 VanDerWaalsContact O-CD1 3.32Å; A171-L180 WeakPolarHBondContact O-CD1 3.44Å; A171-W188 VanDerWaalsContact CA-CE2 3.49Å; A171-W188 HydrophobicContact CB-CB 4.12Å; A171-W188 HydrophobicContact CB-CD2 3.46Å; A171-W188 VanDerWaalsContact CB-CD2 3.46Å; A171-W188 HydrophobicContact CB-CE3 3.61Å; A171-W188 HydrophobicContact CB-CG 3.68Å; A171-W188 HydrophobicContact CB-CZ3 4.21Å
172I96.4Very high94.9Very high0 Ų046.4 Ų46.40%024%0.244CC..Hα-helixtrans-65.5-44-178.8-63.1170000111I168 T169 S174 S175 N178 F222 W236 L238I168-I172 HydrophobicContact CG2-CD1 3.93Å; I168-I172 WeakPolarHBondContact O-CG1 3.34Å; I168-I172 PolarHBondContact O-N 2.93Å; T169-I172 PolarHBondContact O-N 3.21Å; I172-S174 VanDerWaalsContact C-N 3.26Å; I172-S174 PolarHBondContact O-N 3.3Å; I172-S175 WeakPolarHBondContact O-CB 3.45Å; I172-S175 PolarHBondContact O-N 3.41Å; I172-S175 VanDerWaalsContact O-N 3.09Å; I172-S175 PolarHBondContact O-OG 3.29Å; I172-N178 VanDerWaalsContact CG2-C 3.48Å; I172-N178 WeakPolarHBondContact CG2-O 3.48Å; I172-F222 HydrophobicContact CD1-CD1 3.96Å; I172-F222 HydrophobicContact CD1-CE1 4.31Å; I172-W236 HydrophobicContact CD1-CB 4.46Å; I172-L238 HydrophobicContact CB-CD1 4Å; I172-L238 HydrophobicContact CB-CG 4.17Å; I172-L238 HydrophobicContact CD1-CG 4.35Å; I172-L238 HydrophobicContact CG2-CB 4.39Å; I172-L238 HydrophobicContact CG2-CD1 3.89Å; I172-L238 HydrophobicContact CG2-CG 3.92Å
173E95.7Very high95.1Very high108 Ų10847 Ų4751%0.50525%0.254SS..Hα-helixtrans-61.1-29.9175.7-72.1171.1163.600113.4T169 S175 L238T169-E173 HydrophobicContact CG2-CG 4.33Å; T169-E173 WeakPolarHBondContact CG2-OE1 3.41Å; T169-E173 WeakPolarHBondContact O-CB 3.48Å; T169-E173 WeakPolarHBondContact O-CG 3.41Å; T169-E173 PolarHBondContact O-N 2.98Å; E173-S175 VanDerWaalsContact C-N 3.26Å; E173-S175 PolarHBondContact O-N 3.18Å; E173-L238 HydrophobicContact CG-CD1 3.59Å
174S95.5Very high95.1Very high72 Ų7248.6 Ų48.650%0.50326%0.256SS..THydrogen-bonded Turntrans-77.3-10.217775.60000114.2K170 A171 I172 W188K170-S174 WeakPolarHBondContact O-CB 3.23Å; K170-S174 PolarHBondContact O-N 3.06Å; K170-S174 PolarHBondContact O-OG 3.47Å; A171-S174 PolarHBondContact O-N 3.4Å; A171-S174 PolarHBondContact O-OG 3.3Å; I172-S174 VanDerWaalsContact C-N 3.26Å; I172-S174 PolarHBondContact O-N 3.3Å; S174-W188 VanDerWaalsContact OG-CD1 3.27Å; S174-W188 PolarHBondContact OG-NE1 2.82Å
175S94.6Very high95.1Very high10 Ų1046.7 Ų46.77%0.0725%0.249CC..SBendtrans-84.8134.8174.373.80000110.4I172 E173 E177 N178 R179I172-S175 WeakPolarHBondContact O-CB 3.45Å; I172-S175 PolarHBondContact O-N 3.41Å; I172-S175 VanDerWaalsContact O-N 3.09Å; I172-S175 PolarHBondContact O-OG 3.29Å; E173-S175 VanDerWaalsContact C-N 3.26Å; E173-S175 PolarHBondContact O-N 3.18Å; S175-E177 PolarHBondContact O-N 3.17Å; S175-E177 VanDerWaalsContact O-N 3.15Å; S175-N178 PolarHBondContact O-N 3.32Å; S175-N178 WeakPolarHBondContact OG-CA 3.45Å; S175-N178 PolarHBondContact OG-N 3.49Å; S175-N178 VanDerWaalsContact OG-N 3.16Å; S175-R179 PolarHBondContact OG-N 2.96Å; S175-R179 PolarHBondContact OG-O 3Å
176P92Very high95.1Very high131 Ų13148.3 Ų48.385%0.85126%0.255SS*.THydrogen-bonded Turntrans-61.9-27.6-178.324.9-33.8000112.4
177E90.8Very high95.1Very high107 Ų10748.9 Ų48.950%0.526%0.258SS..THydrogen-bonded Turntrans-90.3-1180-54.5-169.9133.600113.7S175 R179S175-E177 PolarHBondContact O-N 3.17Å; S175-E177 VanDerWaalsContact O-N 3.15Å; E177-R179 HydrophobicContact CB-CG 3.68Å; E177-R179 PolarHBondContact O-N 2.96Å; E177-R179 IonicContact OE1-CZ 3.72Å; E177-R179 IonicContact OE1-NE 3.91Å; E177-R179 IonicContact OE1-NH2 2.78Å; E177-R179 PolarHBondContact OE1-NH2 2.94Å; E177-R179 IonicContact OE2-CZ 3.3Å; E177-R179 VanDerWaalsContact OE2-CZ 3.3Å; E177-R179 IonicContact OE2-NE 2.75Å; E177-R179 PolarHBondContact OE2-NE 2.79Å; E177-R179 IonicContact OE2-NH2 3.03Å; E177-R179 PolarHBondContact OE2-NH2 3.03Å
178N93.7Very high95.1Very high86 Ų8650.8 Ų50.846%0.4627%0.265SS..SBendtrans52.731.7-174.4-71.6-103.6000114I172 S175I172-N178 VanDerWaalsContact CG2-C 3.48Å; I172-N178 WeakPolarHBondContact CG2-O 3.48Å; S175-N178 PolarHBondContact O-N 3.32Å; S175-N178 WeakPolarHBondContact OG-CA 3.45Å; S175-N178 PolarHBondContact OG-N 3.49Å; S175-N178 VanDerWaalsContact OG-N 3.16Å
179R94Very high95Very high86 Ų8650.8 Ų50.833%0.32527%0.265SS..EExtended strand (participates in β ladder)trans-146.7138.317965-172.2178.4-164.3-3.6110.3S175 E177 W235 W236 M237S175-R179 PolarHBondContact OG-N 2.96Å; S175-R179 PolarHBondContact OG-O 3Å; E177-R179 HydrophobicContact CB-CG 3.68Å; E177-R179 PolarHBondContact O-N 2.96Å; E177-R179 IonicContact OE1-CZ 3.72Å; E177-R179 IonicContact OE1-NE 3.91Å; E177-R179 IonicContact OE1-NH2 2.78Å; E177-R179 PolarHBondContact OE1-NH2 2.94Å; E177-R179 IonicContact OE2-CZ 3.3Å; E177-R179 VanDerWaalsContact OE2-CZ 3.3Å; E177-R179 IonicContact OE2-NE 2.75Å; E177-R179 PolarHBondContact OE2-NE 2.79Å; E177-R179 IonicContact OE2-NH2 3.03Å; E177-R179 PolarHBondContact OE2-NH2 3.03Å; R179-W235 HydrophobicContact CB-CB 4.44Å; R179-W235 HydrophobicContact CB-CE3 4.17Å; R179-W235 HydrophobicContact CG-CD2 4.23Å; R179-W235 HydrophobicContact CG-CE3 3.87Å; R179-W235 HydrophobicContact CG-CZ3 4.27Å; R179-W236 WeakPolarHBondContact CA-O 3.19Å; R179-M237 HydrophobicContact CB-CB 4.42Å; R179-M237 HydrophobicContact CB-CG 3.65Å; R179-M237 HydrophobicContact CB-SD 3.83Å
180L96.1Very high94.9Very high16 Ų1651.5 Ų51.58%0.08427%0.27CS..EExtended strand (participates in β ladder)trans-137144.3174.9-71.8-177.2000111.1A171 Q184 I185 W236A171-L180 HydrophobicContact CB-CD1 4Å; A171-L180 VanDerWaalsContact O-CD1 3.32Å; A171-L180 WeakPolarHBondContact O-CD1 3.44Å; L180-Q184 HydrophobicContact CB-CB 4.26Å; L180-Q184 HydrophobicContact CD2-CB 3.9Å; L180-Q184 HydrophobicContact CG-CB 4.48Å; L180-I185 HydrophobicContact CB-CD1 4.34Å; L180-I185 HydrophobicContact CB-CG1 3.77Å; L180-I185 HydrophobicContact CD1-CG1 4.05Å; L180-W236 PolarHBondContact N-O 3.01Å; L180-W236 WeakPolarHBondContact O-CB 3.5Å; L180-W236 PolarHBondContact O-N 2.88Å
181T96.1Very high94.8Very high11 Ų1154.7 Ų54.77%0.06728%0.284CS..EExtended strand (participates in β ladder)trans-70.9159.7165.362.40000110.9S183 Q184 I185 S233 W235T181-S183 PolarHBondContact O-N 3.04Å; T181-Q184 PolarHBondContact O-N 2.85Å; T181-Q184 VanDerWaalsContact O-N 3.11Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.39Å; T181-Q184 PolarHBondContact OG1-N 3.03Å; T181-Q184 PolarHBondContact OG1-OE1 2.78Å; T181-I185 PolarHBondContact O-N 3.41Å; T181-I185 VanDerWaalsContact O-N 3.1Å; T181-S233 WeakPolarHBondContact CB-OG 3.12Å; T181-S233 WeakPolarHBondContact CG2-OG 3.5Å; T181-W235 HydrophobicContact CG2-CD2 4.29Å; T181-W235 HydrophobicContact CG2-CE3 3.82Å; T181-W235 HydrophobicContact CG2-CH2 4.18Å; T181-W235 HydrophobicContact CG2-CZ3 3.78Å
182L95.4Very high94.6Very high43 Ų4357.8 Ų57.823%0.22531%0.305CS..Hα-helixtrans-55.5-35.3177.7-179.960.9000113.1I185 Y186 I212 R213 L216L182-I185 PolarHBondContact O-N 2.75Å; L182-Y186 HydrophobicContact CD1-CE1 3.85Å; L182-Y186 HydrophobicContact CD1-CE2 4.48Å; L182-Y186 HydrophobicContact CG-CE1 4.26Å; L182-Y186 HydrophobicContact CG-CE2 4Å; L182-Y186 WeakPolarHBondContact O-CD2 3.49Å; L182-Y186 PolarHBondContact O-N 3.27Å; L182-I212 HydrophobicContact CD1-CG2 4.26Å; L182-R213 HydrophobicContact CD1-CG 3.98Å; L182-R213 HydrophobicContact CD2-CG 3.94Å; L182-L216 HydrophobicContact CD1-CD1 3.64Å
183S94.3Very high94.4Very high65 Ų6558.3 Ų58.346%0.45531%0.308SS..Hα-helixtrans-66.9-47.2176.2-162.30000111.7T181 I185 Y186 D187T181-S183 PolarHBondContact O-N 3.04Å; S183-I185 PolarHBondContact O-N 3.17Å; S183-Y186 WeakPolarHBondContact O-CA 3.39Å; S183-Y186 WeakPolarHBondContact O-CB 3.41Å; S183-Y186 PolarHBondContact O-N 2.71Å; S183-D187 VanDerWaalsContact O-CG 3.28Å; S183-D187 PolarHBondContact O-N 3.11Å
184Q95.5Very high94.2Very high74 Ų7457.8 Ų57.835%0.34631%0.314SS..Hα-helixtrans-63-29.2179.3-67.3163.3-59.400112.4L180 T181 D187 W188L180-Q184 HydrophobicContact CB-CB 4.26Å; L180-Q184 HydrophobicContact CD2-CB 3.9Å; L180-Q184 HydrophobicContact CG-CB 4.48Å; T181-Q184 PolarHBondContact O-N 2.85Å; T181-Q184 VanDerWaalsContact O-N 3.11Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.39Å; T181-Q184 PolarHBondContact OG1-N 3.03Å; T181-Q184 PolarHBondContact OG1-OE1 2.78Å; Q184-D187 PolarHBondContact O-N 3.04Å; Q184-W188 VanDerWaalsContact O-CB 3.31Å; Q184-W188 WeakPolarHBondContact O-CB 3.43Å; Q184-W188 PolarHBondContact O-N 3.47Å
185I96.1Very high93.9Very high0 Ų058.9 Ų58.90%031%0.308CS..Hα-helixtrans-66.6-41.6171.4-63.4171.3000110.5I168 L180 T181 L182 S183 W188 M189 I212 L216 W236I168-I185 HydrophobicContact CG1-CG2 4.29Å; L180-I185 HydrophobicContact CB-CD1 4.34Å; L180-I185 HydrophobicContact CB-CG1 3.77Å; L180-I185 HydrophobicContact CD1-CG1 4.05Å; T181-I185 PolarHBondContact O-N 3.41Å; T181-I185 VanDerWaalsContact O-N 3.1Å; L182-I185 PolarHBondContact O-N 2.75Å; S183-I185 PolarHBondContact O-N 3.17Å; I185-W188 PolarHBondContact O-N 3.3Å; I185-M189 HydrophobicContact CG2-CE 4.05Å; I185-M189 WeakPolarHBondContact O-CG 3.39Å; I185-M189 PolarHBondContact O-N 3.02Å; I185-I212 HydrophobicContact CG2-CG2 3.8Å; I185-L216 HydrophobicContact CD1-CD1 4.1Å; I185-L216 HydrophobicContact CD1-CD2 4.13Å; I185-W236 HydrophobicContact CD1-CB 4.03Å; I185-W236 HydrophobicContact CD1-CG 4.38Å
186Y95Very high93.6Very high34 Ų3458.5 Ų58.513%0.13331%0.305CS..Hα-helixtrans-61.8-46.3172.4-54.4-37.3000111.3L182 S183 W188 M189 V190 W208 K209 I212 R213L182-Y186 HydrophobicContact CD1-CE1 3.85Å; L182-Y186 HydrophobicContact CD1-CE2 4.48Å; L182-Y186 HydrophobicContact CG-CE1 4.26Å; L182-Y186 HydrophobicContact CG-CE2 4Å; L182-Y186 WeakPolarHBondContact O-CD2 3.49Å; L182-Y186 PolarHBondContact O-N 3.27Å; S183-Y186 WeakPolarHBondContact O-CA 3.39Å; S183-Y186 WeakPolarHBondContact O-CB 3.41Å; S183-Y186 PolarHBondContact O-N 2.71Å; Y186-W188 VanDerWaalsContact C-N 3.29Å; Y186-W188 PolarHBondContact O-N 3.47Å; Y186-M189 PolarHBondContact O-N 3.39Å; Y186-V190 WeakPolarHBondContact O-CG2 3.48Å; Y186-V190 PolarHBondContact O-N 2.58Å; Y186-V190 VanDerWaalsContact O-N 3.11Å; Y186-W208 HydrophobicContact CD1-CH2 4.39Å; Y186-W208 HydrophobicContact CD1-CZ3 4.03Å; Y186-K209 HydrophobicContact CD1-CB 4.14Å; Y186-K209 HydrophobicContact CD1-CD 4.26Å; Y186-K209 HydrophobicContact CD1-CG 3.74Å; Y186-K209 HydrophobicContact CD2-CD 4.15Å; Y186-K209 HydrophobicContact CE1-CB 3.64Å; Y186-K209 HydrophobicContact CE1-CD 4.39Å; Y186-K209 HydrophobicContact CE1-CG 3.79Å; Y186-K209 HydrophobicContact CE2-CD 4.29Å; Y186-K209 HydrophobicContact CG-CD 4.14Å; Y186-K209 HydrophobicContact CG-CG 4.12Å; Y186-I212 HydrophobicContact CD1-CG2 4.39Å; Y186-I212 HydrophobicContact CE1-CB 4.24Å; Y186-I212 HydrophobicContact CE1-CG2 4.13Å; Y186-R213 PolarHBondContact OH-NH1 3.11Å
187D95.1Very high93.4Very high68 Ų6858.2 Ų58.236%0.36429%0.29SS..Hα-helixtrans-60.7-39.4179.7-57.7-35000111.8S183 Q184 K191S183-D187 VanDerWaalsContact O-CG 3.28Å; S183-D187 PolarHBondContact O-N 3.11Å; Q184-D187 PolarHBondContact O-N 3.04Å; D187-K191 WeakPolarHBondContact O-CB 3.25Å; D187-K191 WeakPolarHBondContact O-CD 3.39Å; D187-K191 WeakPolarHBondContact O-CG 3.37Å; D187-K191 PolarHBondContact O-N 2.97Å
188W95.9Very high93.1Very high43 Ų4359.2 Ų59.216%0.16330%0.299CS..Hα-helixtrans-64.9-44.1175.5-173.597.8000111.9L167 K170 A171 S174 Q184 I185 Y186 V190 K191 S192 V193L167-W188 HydrophobicContact CB-CZ3 4.28Å; L167-W188 HydrophobicContact CD2-CZ3 4.46Å; L167-W188 WeakPolarHBondContact O-CZ3 3.42Å; K170-W188 HydrophobicContact CB-CH2 3.75Å; K170-W188 HydrophobicContact CB-CZ2 3.89Å; A171-W188 VanDerWaalsContact CA-CE2 3.49Å; A171-W188 HydrophobicContact CB-CB 4.12Å; A171-W188 HydrophobicContact CB-CD2 3.46Å; A171-W188 VanDerWaalsContact CB-CD2 3.46Å; A171-W188 HydrophobicContact CB-CE3 3.61Å; A171-W188 HydrophobicContact CB-CG 3.68Å; A171-W188 HydrophobicContact CB-CZ3 4.21Å; S174-W188 VanDerWaalsContact OG-CD1 3.27Å; S174-W188 PolarHBondContact OG-NE1 2.82Å; Q184-W188 VanDerWaalsContact O-CB 3.31Å; Q184-W188 WeakPolarHBondContact O-CB 3.43Å; Q184-W188 PolarHBondContact O-N 3.47Å; I185-W188 PolarHBondContact O-N 3.3Å; Y186-W188 VanDerWaalsContact C-N 3.29Å; Y186-W188 PolarHBondContact O-N 3.47Å; W188-V190 VanDerWaalsContact C-N 3.3Å; W188-V190 PolarHBondContact O-N 3.19Å; W188-K191 PolarHBondContact O-N 3.16Å; W188-S192 PolarHBondContact NE1-OG 2.91Å; W188-S192 WeakPolarHBondContact O-CB 3.28Å; W188-S192 PolarHBondContact O-N 3.18Å; W188-S192 PolarHBondContact O-OG 3.5Å; W188-V193 HydrophobicContact CZ3-CG2 4.08Å
189M94.8Very high92.6Very high0 Ų058.8 Ų58.80%029%0.293CS..Hα-helixtrans-58.6-44.7177.9-65.2-81.2163.300110.9L167 I168 I185 Y186 V193 F196 W208 I212L167-M189 HydrophobicContact CB-CE 3.51Å; L167-M189 HydrophobicContact CB-SD 3.74Å; L167-M189 HydrophobicContact CD1-SD 3.91Å; L167-M189 HydrophobicContact CG-SD 4.44Å; I168-M189 HydrophobicContact CB-CE 4.49Å; I168-M189 HydrophobicContact CG1-CE 3.77Å; I185-M189 HydrophobicContact CG2-CE 4.05Å; I185-M189 WeakPolarHBondContact O-CG 3.39Å; I185-M189 PolarHBondContact O-N 3.02Å; Y186-M189 PolarHBondContact O-N 3.39Å; M189-V193 VanDerWaalsContact O-CB 3.31Å; M189-V193 WeakPolarHBondContact O-CB 3.4Å; M189-V193 PolarHBondContact O-N 2.97Å; M189-V193 VanDerWaalsContact O-N 3.1Å; M189-F196 HydrophobicContact CB-CD2 4.4Å; M189-W208 HydrophobicContact CB-CH2 4Å; M189-W208 HydrophobicContact CB-CZ3 3.76Å; M189-W208 HydrophobicContact CG-CZ3 4.06Å; M189-I212 HydrophobicContact CE-CD1 3.61Å; M189-I212 HydrophobicContact CG-CD1 4.34Å; M189-I212 HydrophobicContact SD-CD1 3.97Å
190V94.4Very high91.8Very high34 Ų3455.7 Ų55.721%0.20629%0.288CS..Hα-helixtrans-64.2-41177177.60000111.6Y186 W188 K197 G200 W208Y186-V190 WeakPolarHBondContact O-CG2 3.48Å; Y186-V190 PolarHBondContact O-N 2.58Å; Y186-V190 VanDerWaalsContact O-N 3.11Å; W188-V190 VanDerWaalsContact C-N 3.3Å; W188-V190 PolarHBondContact O-N 3.19Å; V190-K197 WeakPolarHBondContact O-CG 3.33Å; V190-G200 VanDerWaalsContact CG2-CA 3.42Å; V190-W208 HydrophobicContact CG2-CH2 4Å; V190-W208 HydrophobicContact CG2-CZ2 3.95Å
191K93.6Very high90.8Very high161 Ų16161.7 Ų61.770%0.732%0.32SS*.Hα-helixtrans-77-39.2-177.2-71.6164.2-172.5169.30113.8D187 W188D187-K191 WeakPolarHBondContact O-CB 3.25Å; D187-K191 WeakPolarHBondContact O-CD 3.39Å; D187-K191 WeakPolarHBondContact O-CG 3.37Å; D187-K191 PolarHBondContact O-N 2.97Å; W188-K191 PolarHBondContact O-N 3.16Å
192S92.4Very high89.7Confident65 Ų6563.6 Ų63.646%0.45533%0.334SS..Hα-helixtrans-101.9-15.9-168.7-620000114.6W188W188-S192 PolarHBondContact NE1-OG 2.91Å; W188-S192 WeakPolarHBondContact O-CB 3.28Å; W188-S192 PolarHBondContact O-N 3.18Å; W188-S192 PolarHBondContact O-OG 3.5Å
193V92.2Very high88.4Confident11 Ų1168.8 Ų68.87%0.06736%0.362CS..  trans-119108.7-178-176.80000109.7W159 L167 W188 M189 Y195 F196W159-V193 HydrophobicContact CB-CG1 3.49Å; W159-V193 VanDerWaalsContact CB-CG1 3.49Å; W159-V193 HydrophobicContact CG-CG1 4.29Å; L167-V193 HydrophobicContact CD1-CG2 4.2Å; L167-V193 HydrophobicContact CD2-CG2 3.88Å; W188-V193 HydrophobicContact CZ3-CG2 4.08Å; M189-V193 VanDerWaalsContact O-CB 3.31Å; M189-V193 WeakPolarHBondContact O-CB 3.4Å; M189-V193 PolarHBondContact O-N 2.97Å; M189-V193 VanDerWaalsContact O-N 3.1Å; V193-Y195 PolarHBondContact O-N 3.24Å; V193-F196 HydrophobicContact CB-CD2 3.92Å; V193-F196 HydrophobicContact CG1-CD2 3.69Å; V193-F196 HydrophobicContact CG1-CE2 4.11Å; V193-F196 PolarHBondContact O-N 3.39Å
194P90.9Very high87Confident96 Ų9670.8 Ų70.862%0.62338%0.376SS*.Hα-helixtrans-51.3-36.5-172.6-31.736.4000115.2F196 K197P194-F196 VanDerWaalsContact C-N 3.26Å; P194-F196 PolarHBondContact O-N 3.05Å; P194-K197 WeakPolarHBondContact O-CB 3.21Å; P194-K197 PolarHBondContact O-N 2.9Å
195Y88.9Confident85.7Confident96 Ų9667.5 Ų67.538%0.37636%0.361SS..Hα-helixtrans-62.5-25.6179.2179.4-99000114.8A158 W159 V193 K199A158-Y195 HydrophobicContact CB-CD1 4.49Å; A158-Y195 HydrophobicContact CB-CD2 3.54Å; A158-Y195 HydrophobicContact CB-CE1 4.29Å; A158-Y195 HydrophobicContact CB-CE2 3.29Å; A158-Y195 HydrophobicContact CB-CG 4.15Å; W159-Y195 HydrophobicContact CB-CG 4.42Å; W159-Y195 AromaticContact CE3-CD1 3.73Å; W159-Y195 HydrophobicContact CE3-CD1 3.73Å; W159-Y195 AromaticContact CE3-CE1 3.91Å; W159-Y195 HydrophobicContact CE3-CE1 3.91Å; W159-Y195 HydrophobicContact CE3-CG 4.48Å; W159-Y195 HydrophobicContact CZ3-CD1 4.44Å; W159-Y195 HydrophobicContact CZ3-CE1 4.19Å; V193-Y195 PolarHBondContact O-N 3.24Å; Y195-K199 HydrophobicContact CE1-CD 4.17Å; Y195-K199 WeakPolarHBondContact O-CD 3.4Å; Y195-K199 VanDerWaalsContact O-CE 3.27Å; Y195-K199 WeakPolarHBondContact O-CE 3.43Å
196F89.1Confident84.7Confident2 Ų270.3 Ų70.31%0.00939%0.385CS..Hα-helixtrans-99.3-6.7-178.6-65.1-63.2000113.7W159 Y164 L167 M189 V193 P194 D198 K199 G200 W208W159-F196 HydrophobicContact CB-CE2 4.49Å; W159-F196 AromaticContact CD2-CE2 3.99Å; W159-F196 HydrophobicContact CD2-CE2 3.99Å; W159-F196 HydrophobicContact CD2-CZ 4.05Å; W159-F196 AromaticContact CE3-CE2 3.95Å; W159-F196 HydrophobicContact CE3-CE2 3.95Å; W159-F196 AromaticContact CE3-CZ 3.58Å; W159-F196 HydrophobicContact CE3-CZ 3.58Å; W159-F196 HydrophobicContact CG-CE2 4.26Å; W159-F196 HydrophobicContact CH2-CZ 4.44Å; W159-F196 AromaticContact CZ3-CZ 3.8Å; W159-F196 HydrophobicContact CZ3-CZ 3.8Å; Y164-F196 HydrophobicContact CE1-CE2 4.34Å; Y164-F196 AromaticContact CE1-CZ 3.81Å; Y164-F196 HydrophobicContact CE1-CZ 3.81Å; L167-F196 HydrophobicContact CD1-CE2 4.45Å; M189-F196 HydrophobicContact CB-CD2 4.4Å; V193-F196 HydrophobicContact CB-CD2 3.92Å; V193-F196 HydrophobicContact CG1-CD2 3.69Å; V193-F196 HydrophobicContact CG1-CE2 4.11Å; V193-F196 PolarHBondContact O-N 3.39Å; P194-F196 VanDerWaalsContact C-N 3.26Å; P194-F196 PolarHBondContact O-N 3.05Å; F196-D198 PolarHBondContact O-N 3.43Å; F196-K199 CarbonylContact O-C 3.57Å; F196-K199 PolarHBondContact O-N 3.16Å; F196-K199 VanDerWaalsContact O-N 3.13Å; F196-G200 PolarHBondContact O-N 3.36Å; F196-W208 HydrophobicContact CD1-CB 4.36Å; F196-W208 AromaticContact CD1-CD1 3.96Å; F196-W208 AromaticContact CD1-CD2 3.82Å; F196-W208 HydrophobicContact CD1-CD2 3.82Å; F196-W208 AromaticContact CD1-CE2 3.95Å; F196-W208 HydrophobicContact CD1-CE3 4.36Å; F196-W208 AromaticContact CD1-CG 3.84Å; F196-W208 HydrophobicContact CD1-CG 3.84Å; F196-W208 HydrophobicContact CE1-CB 3.64Å; F196-W208 AromaticContact CE1-CD2 3.94Å; F196-W208 HydrophobicContact CE1-CD2 3.94Å; F196-W208 HydrophobicContact CE1-CE3 4.41Å; F196-W208 AromaticContact CE1-CG 3.62Å; F196-W208 HydrophobicContact CE1-CG 3.62Å; F196-W208 HydrophobicContact CZ-CB 4.34Å
197K87.6Confident84.4Confident125 Ų12571.1 Ų71.154%0.54340%0.403SS..Hα-helixtrans-51.9-55.3176.5-72.5179.268.8-170.40111.3V190 P194 K199V190-K197 WeakPolarHBondContact O-CG 3.33Å; P194-K197 WeakPolarHBondContact O-CB 3.21Å; P194-K197 PolarHBondContact O-N 2.9Å; K197-K199 PolarHBondContact O-N 3.3Å; K197-K199 VanDerWaalsContact O-N 3.09Å
198D84.8Confident84.2Confident128 Ų12868.7 Ų68.768%0.68439%0.389SS*.THydrogen-bonded Turntrans-8624.8-175.6-29.6-52.9000111.6F196F196-D198 PolarHBondContact O-N 3.43Å
199K82.6Confident84.1Confident76 Ų7668.7 Ų68.733%0.3339%0.39SS..THydrogen-bonded Turntrans-14519-175.2-51.2-170.5-169.5-48.50112.6Y195 F196 K197 S205 W208Y195-K199 HydrophobicContact CE1-CD 4.17Å; Y195-K199 WeakPolarHBondContact O-CD 3.4Å; Y195-K199 VanDerWaalsContact O-CE 3.27Å; Y195-K199 WeakPolarHBondContact O-CE 3.43Å; F196-K199 CarbonylContact O-C 3.57Å; F196-K199 PolarHBondContact O-N 3.16Å; F196-K199 VanDerWaalsContact O-N 3.13Å; K197-K199 PolarHBondContact O-N 3.3Å; K197-K199 VanDerWaalsContact O-N 3.09Å; K199-S205 PolarHBondContact O-OG 3.03Å; K199-W208 PolarHBondContact O-NE1 3.31Å
200G77.3Confident84.1Confident21 Ų2173 Ų7322%0.21641%0.413CS..SBendtrans-86.5-34.7-177.100000114.4V190 F196 K209V190-G200 VanDerWaalsContact CG2-CA 3.42Å; F196-G200 PolarHBondContact O-N 3.36Å; G200-K209 PolarHBondContact O-NZ 3.16Å
201D73.9Confident84.2Confident142 Ų14273.2 Ų73.276%0.75942%0.416SS*.SBendtrans-97.1-45.5-170.560.9-29.6000113
202S75Confident84.3Confident51 Ų5165.5 Ų65.536%0.35738%0.382SS..SBendtrans-57.8140.1-175.3-176.40000112.3S204 S205S202-S204 PolarHBondContact O-N 3.09Å; S202-S204 VanDerWaalsContact O-N 3.08Å; S202-S204 WeakPolarHBondContact OG-CB 3.33Å; S202-S204 PolarHBondContact OG-N 2.86Å; S202-S204 PolarHBondContact OG-OG 3.27Å; S202-S205 WeakPolarHBondContact O-CB 3.46Å; S202-S205 PolarHBondContact O-N 3.49Å; S202-S205 PolarHBondContact O-OG 3.33Å
203N67.9Low84.5Confident152 Ų15267 Ų6781%0.81338%0.378SS*.G310 helixtrans-55.6-27.9174.4-166.826.6000112.3S205 A206N203-S205 PolarHBondContact O-N 3.2Å; N203-A206 PolarHBondContact O-N 3.13Å; N203-A206 VanDerWaalsContact O-N 3.13Å
204S63.3Low84.7Confident107 Ų10771.4 Ų71.475%0.74840%0.397SS*.G310 helixtrans-56.2-12.1170.2-54.10000114.5S202 A206S202-S204 PolarHBondContact O-N 3.09Å; S202-S204 VanDerWaalsContact O-N 3.08Å; S202-S204 WeakPolarHBondContact OG-CB 3.33Å; S202-S204 PolarHBondContact OG-N 2.86Å; S202-S204 PolarHBondContact OG-OG 3.27Å; S204-A206 PolarHBondContact O-N 3.35Å; S204-A206 VanDerWaalsContact O-N 3.12Å
205S67.9Low85Confident6 Ų667.9 Ų67.94%0.04237%0.374CS..G310 helixtrans-53.9-23.6168.7-61.90000114.2K199 S202 N203 G207 W208 K209K199-S205 PolarHBondContact O-OG 3.03Å; S202-S205 WeakPolarHBondContact O-CB 3.46Å; S202-S205 PolarHBondContact O-N 3.49Å; S202-S205 PolarHBondContact O-OG 3.33Å; N203-S205 PolarHBondContact O-N 3.2Å; S205-G207 PolarHBondContact O-N 2.9Å; S205-G207 VanDerWaalsContact O-N 3.11Å; S205-W208 PolarHBondContact O-N 3.09Å; S205-K209 VanDerWaalsContact CB-NZ 3.28Å; S205-K209 WeakPolarHBondContact O-CB 3.43Å; S205-K209 WeakPolarHBondContact O-CG 3.37Å; S205-K209 PolarHBondContact O-N 2.66Å; S205-K209 PolarHBondContact OG-NZ 3.15Å
206A75.1Confident85.3Confident59 Ų5963.4 Ų63.449%0.48836%0.356SS..Hα-helixtrans-49.4-42-169.400000113.4N203 S204 N210N203-A206 PolarHBondContact O-N 3.13Å; N203-A206 VanDerWaalsContact O-N 3.13Å; S204-A206 PolarHBondContact O-N 3.35Å; S204-A206 VanDerWaalsContact O-N 3.12Å; A206-N210 VanDerWaalsContact O-CB 3.25Å; A206-N210 WeakPolarHBondContact O-CB 3.49Å; A206-N210 PolarHBondContact O-N 3.25Å
207G89.1Confident85.6Confident50 Ų5067.6 Ų67.652%0.51539%0.386SS..Hα-helixtrans-61.3-57.2-18000000113.5S205 N210 S211S205-G207 PolarHBondContact O-N 2.9Å; S205-G207 VanDerWaalsContact O-N 3.11Å; G207-N210 WeakPolarHBondContact O-CB 3.32Å; G207-N210 PolarHBondContact O-N 3.25Å; G207-S211 PolarHBondContact O-N 3.26Å; G207-S211 PolarHBondContact O-OG 3.29Å
208W92.1Very high85.9Confident18 Ų1866.4 Ų66.47%0.06839%0.385CS..Hα-helixtrans-69.5-38.5-177.775.4-103.3000112Y186 M189 V190 F196 K199 S205 N210 S211 I212Y186-W208 HydrophobicContact CD1-CH2 4.39Å; Y186-W208 HydrophobicContact CD1-CZ3 4.03Å; M189-W208 HydrophobicContact CB-CH2 4Å; M189-W208 HydrophobicContact CB-CZ3 3.76Å; M189-W208 HydrophobicContact CG-CZ3 4.06Å; V190-W208 HydrophobicContact CG2-CH2 4Å; V190-W208 HydrophobicContact CG2-CZ2 3.95Å; F196-W208 HydrophobicContact CD1-CB 4.36Å; F196-W208 AromaticContact CD1-CD1 3.96Å; F196-W208 AromaticContact CD1-CD2 3.82Å; F196-W208 HydrophobicContact CD1-CD2 3.82Å; F196-W208 AromaticContact CD1-CE2 3.95Å; F196-W208 HydrophobicContact CD1-CE3 4.36Å; F196-W208 AromaticContact CD1-CG 3.84Å; F196-W208 HydrophobicContact CD1-CG 3.84Å; F196-W208 HydrophobicContact CE1-CB 3.64Å; F196-W208 AromaticContact CE1-CD2 3.94Å; F196-W208 HydrophobicContact CE1-CD2 3.94Å; F196-W208 HydrophobicContact CE1-CE3 4.41Å; F196-W208 AromaticContact CE1-CG 3.62Å; F196-W208 HydrophobicContact CE1-CG 3.62Å; F196-W208 HydrophobicContact CZ-CB 4.34Å; K199-W208 PolarHBondContact O-NE1 3.31Å; S205-W208 PolarHBondContact O-N 3.09Å; W208-N210 PolarHBondContact O-N 3.05Å; W208-S211 WeakPolarHBondContact O-CB 3.45Å; W208-S211 PolarHBondContact O-N 3.17Å; W208-S211 VanDerWaalsContact O-N 3.11Å; W208-I212 HydrophobicContact CE3-CG1 4.07Å; W208-I212 HydrophobicContact CZ3-CG1 4.26Å; W208-I212 WeakPolarHBondContact O-CG1 3.43Å; W208-I212 PolarHBondContact O-N 2.95Å
209K93.6Very high86.4Confident42 Ų4263.1 Ų63.118%0.18337%0.365CS..Hα-helixtrans-62.3-29.8173.5-67.9-178-179.2153.60111.5Y186 G200 S205 R213Y186-K209 HydrophobicContact CD1-CB 4.14Å; Y186-K209 HydrophobicContact CD1-CD 4.26Å; Y186-K209 HydrophobicContact CD1-CG 3.74Å; Y186-K209 HydrophobicContact CD2-CD 4.15Å; Y186-K209 HydrophobicContact CE1-CB 3.64Å; Y186-K209 HydrophobicContact CE1-CD 4.39Å; Y186-K209 HydrophobicContact CE1-CG 3.79Å; Y186-K209 HydrophobicContact CE2-CD 4.29Å; Y186-K209 HydrophobicContact CG-CD 4.14Å; Y186-K209 HydrophobicContact CG-CG 4.12Å; G200-K209 PolarHBondContact O-NZ 3.16Å; S205-K209 VanDerWaalsContact CB-NZ 3.28Å; S205-K209 WeakPolarHBondContact O-CB 3.43Å; S205-K209 WeakPolarHBondContact O-CG 3.37Å; S205-K209 PolarHBondContact O-N 2.66Å; S205-K209 PolarHBondContact OG-NZ 3.15Å; K209-R213 PolarHBondContact O-N 2.95Å; K209-R213 PolarHBondContact O-NH1 3.03Å
210N94.6Very high86.8Confident91 Ų9164.3 Ų64.349%0.48738%0.383SS..Hα-helixtrans-72.1-41.8171.4-158.843.4000112.7A206 G207 W208 I212 R213 H214A206-N210 VanDerWaalsContact O-CB 3.25Å; A206-N210 WeakPolarHBondContact O-CB 3.49Å; A206-N210 PolarHBondContact O-N 3.25Å; G207-N210 WeakPolarHBondContact O-CB 3.32Å; G207-N210 PolarHBondContact O-N 3.25Å; W208-N210 PolarHBondContact O-N 3.05Å; N210-I212 PolarHBondContact O-N 3.01Å; N210-R213 PolarHBondContact O-N 3.49Å; N210-R213 PolarHBondContact OD1-NE 3.32Å; N210-R213 PolarHBondContact OD1-NH2 3.3Å; N210-H214 WeakPolarHBondContact O-CB 3.49Å; N210-H214 PolarHBondContact O-N 2.92Å
211S95.4Very high87.6Confident38 Ų3867.2 Ų67.227%0.26639%0.388SS..Hα-helixtrans-56.9-39.1174.1-53.50000112.1G207 W208 H214 N215G207-S211 PolarHBondContact O-N 3.26Å; G207-S211 PolarHBondContact O-OG 3.29Å; W208-S211 WeakPolarHBondContact O-CB 3.45Å; W208-S211 PolarHBondContact O-N 3.17Å; W208-S211 VanDerWaalsContact O-N 3.11Å; S211-H214 PolarHBondContact O-N 3.19Å; S211-N215 WeakPolarHBondContact O-CB 3.49Å; S211-N215 PolarHBondContact O-N 3.42Å; S211-N215 PolarHBondContact O-ND2 3.33Å
212I96Very high88.7Confident0 Ų061 Ų610%035%0.353CS..Hα-helixtrans-61.1-52173.4-64.5-59.8000111.6Y164 I168 L182 I185 Y186 M189 W208 N210 H214 N215 L216Y164-I212 HydrophobicContact CD1-CD1 3.59Å; Y164-I212 HydrophobicContact CD1-CG1 4.47Å; Y164-I212 HydrophobicContact CE1-CD1 4.21Å; Y164-I212 HydrophobicContact CG-CD1 4.35Å; I168-I212 HydrophobicContact CD1-CD1 3.93Å; I168-I212 HydrophobicContact CD1-CG2 4.23Å; I168-I212 HydrophobicContact CG1-CD1 3.88Å; I168-I212 HydrophobicContact CG1-CG2 4.4Å; L182-I212 HydrophobicContact CD1-CG2 4.26Å; I185-I212 HydrophobicContact CG2-CG2 3.8Å; Y186-I212 HydrophobicContact CD1-CG2 4.39Å; Y186-I212 HydrophobicContact CE1-CB 4.24Å; Y186-I212 HydrophobicContact CE1-CG2 4.13Å; M189-I212 HydrophobicContact CE-CD1 3.61Å; M189-I212 HydrophobicContact CG-CD1 4.34Å; M189-I212 HydrophobicContact SD-CD1 3.97Å; W208-I212 HydrophobicContact CE3-CG1 4.07Å; W208-I212 HydrophobicContact CZ3-CG1 4.26Å; W208-I212 WeakPolarHBondContact O-CG1 3.43Å; W208-I212 PolarHBondContact O-N 2.95Å; N210-I212 PolarHBondContact O-N 3.01Å; I212-H214 VanDerWaalsContact C-N 3.29Å; I212-H214 PolarHBondContact O-N 3.11Å; I212-N215 PolarHBondContact O-N 2.92Å; I212-N215 VanDerWaalsContact O-N 3.17Å; I212-L216 HydrophobicContact CG2-CD1 3.9Å; I212-L216 HydrophobicContact CG2-CG 4.5Å; I212-L216 WeakPolarHBondContact O-CG 3.34Å; I212-L216 PolarHBondContact O-N 3.29Å
213R96.6Very high89.6Confident97 Ų9761.1 Ų61.137%0.36635%0.35SS..Hα-helixtrans-57-41.8178.3-70-174.9-59.4-96.411.2112.5L182 Y186 K209 N210 L216 S217L182-R213 HydrophobicContact CD1-CG 3.98Å; L182-R213 HydrophobicContact CD2-CG 3.94Å; Y186-R213 PolarHBondContact OH-NH1 3.11Å; K209-R213 PolarHBondContact O-N 2.95Å; K209-R213 PolarHBondContact O-NH1 3.03Å; N210-R213 PolarHBondContact O-N 3.49Å; N210-R213 PolarHBondContact OD1-NE 3.32Å; N210-R213 PolarHBondContact OD1-NH2 3.3Å; R213-L216 PolarHBondContact O-N 3.24Å; R213-S217 PolarHBondContact O-N 3.1Å; R213-S217 PolarHBondContact O-OG 2.96Å
214H96.4Very high90.9Very high102 Ų10261 Ų6147%0.47234%0.338SS..Hα-helixtrans-66.5-41.5176.9173.667.6000112.7N210 S211 I212 L216 S217 L218N210-H214 WeakPolarHBondContact O-CB 3.49Å; N210-H214 PolarHBondContact O-N 2.92Å; S211-H214 PolarHBondContact O-N 3.19Å; I212-H214 VanDerWaalsContact C-N 3.29Å; I212-H214 PolarHBondContact O-N 3.11Å; H214-L216 VanDerWaalsContact C-N 3.32Å; H214-L216 PolarHBondContact O-N 3.12Å; H214-S217 PolarHBondContact O-N 3.13Å; H214-S217 PolarHBondContact O-OG 2.88Å; H214-L218 WeakPolarHBondContact NE2-CD1 3.5Å; H214-L218 WeakPolarHBondContact O-CB 3.38Å; H214-L218 PolarHBondContact O-N 3.38Å
215N97.3Very high92.4Very high23 Ų2358.3 Ų58.312%0.12332%0.317CS..Hα-helixtrans-66-35.2177-85.6-110.3000112.1A165 I168 S211 I212 H219 F222A165-N215 PolarHBondContact N-OD1 3.09Å; I168-N215 HydrophobicContact CD1-CB 3.59Å; S211-N215 WeakPolarHBondContact O-CB 3.49Å; S211-N215 PolarHBondContact O-N 3.42Å; S211-N215 PolarHBondContact O-ND2 3.33Å; I212-N215 PolarHBondContact O-N 2.92Å; I212-N215 VanDerWaalsContact O-N 3.17Å; N215-H219 PolarHBondContact O-N 3.03Å; N215-F222 WeakPolarHBondContact O-CD2 3.47Å
216L96.1Very high93.5Very high2 Ų263 Ų631%0.0134%0.338CS..Hα-helixtrans-65.1-35.2176.5-75.1168000113.1I168 L182 I185 I212 R213 H214 F222 W236I168-L216 HydrophobicContact CD1-CD2 4.46Å; I168-L216 HydrophobicContact CD1-CG 4.2Å; I168-L216 HydrophobicContact CG2-CD2 3.58Å; I168-L216 HydrophobicContact CG2-CG 4.43Å; L182-L216 HydrophobicContact CD1-CD1 3.64Å; I185-L216 HydrophobicContact CD1-CD1 4.1Å; I185-L216 HydrophobicContact CD1-CD2 4.13Å; I212-L216 HydrophobicContact CG2-CD1 3.9Å; I212-L216 HydrophobicContact CG2-CG 4.5Å; I212-L216 WeakPolarHBondContact O-CG 3.34Å; I212-L216 PolarHBondContact O-N 3.29Å; R213-L216 PolarHBondContact O-N 3.24Å; H214-L216 VanDerWaalsContact C-N 3.32Å; H214-L216 PolarHBondContact O-N 3.12Å; L216-F222 HydrophobicContact CD2-CB 4.18Å; L216-F222 HydrophobicContact CD2-CD1 4.48Å; L216-F222 HydrophobicContact CD2-CD2 4.25Å; L216-F222 HydrophobicContact CD2-CG 4.03Å; L216-W236 HydrophobicContact CB-CD2 4.16Å; L216-W236 HydrophobicContact CB-CE3 4Å; L216-W236 HydrophobicContact CB-CH2 3.86Å; L216-W236 HydrophobicContact CB-CZ2 4.04Å; L216-W236 HydrophobicContact CB-CZ3 3.84Å; L216-W236 HydrophobicContact CD1-CD2 4.12Å; L216-W236 HydrophobicContact CD1-CG 4.2Å; L216-W236 HydrophobicContact CD1-CZ2 4.5Å; L216-W236 HydrophobicContact CD2-CB 4.08Å; L216-W236 HydrophobicContact CD2-CD2 3.8Å; L216-W236 HydrophobicContact CD2-CE3 3.84Å; L216-W236 HydrophobicContact CD2-CG 3.91Å; L216-W236 HydrophobicContact CG-CD2 4.25Å; L216-W236 HydrophobicContact CG-CE3 4.4Å; L216-W236 VanDerWaalsContact O-CZ3 3.23Å; L216-W236 WeakPolarHBondContact O-CZ3 3.31Å
217S94.7Very high94.1Very high90 Ų9060.9 Ų60.963%0.62932%0.319SS*.Hα-helixtrans-88.9-29.1176.258.20000114.3R213 H214R213-S217 PolarHBondContact O-N 3.1Å; R213-S217 PolarHBondContact O-OG 2.96Å; H214-S217 PolarHBondContact O-N 3.13Å; H214-S217 PolarHBondContact O-OG 2.88Å
218L95.1Very high94Very high100 Ų10066.7 Ų66.752%0.52433%0.332SS..Hα-helixtrans-75.4-33.9-178.1-177.9148000113.3H214H214-L218 WeakPolarHBondContact NE2-CD1 3.5Å; H214-L218 WeakPolarHBondContact O-CB 3.38Å; H214-L218 PolarHBondContact O-N 3.38Å
219H94.1Very high93.4Very high59 Ų5967.3 Ų67.327%0.27335%0.345SS..  trans-101.2114.8-176.5-69.8-58.2000112.7N215 R221 F222N215-H219 PolarHBondContact O-N 3.03Å; H219-R221 PolarHBondContact O-N 3.45Å; H219-F222 HydrophobicContact CB-CD2 3.82Å; H219-F222 HydrophobicContact CB-CE2 3.86Å; H219-F222 PolarHBondContact O-N 2.85Å
220S92Very high91.7Very high101 Ų10172.6 Ų72.671%0.70638%0.381SS*.THydrogen-bonded Turntrans-61.1-1.8171.557.10000115.7N239S220-N239 PolarHBondContact O-ND2 2.96Å
221R94.1Very high90.6Very high82 Ų8272.3 Ų72.331%0.30940%0.399SS..THydrogen-bonded Turntrans-70.6-19.9165.1-66.4-168.7-68.2160.8-5112.4D166 H219 N239D166-R221 IonicContact OD1-NH1 3.96Å; D166-R221 IonicContact OD1-NH2 3.79Å; H219-R221 PolarHBondContact O-N 3.45Å; R221-N239 WeakPolarHBondContact O-CB 3.27Å; R221-N239 PolarHBondContact O-N 3.44Å
222F96Very high89.9Confident10 Ų1077.1 Ų77.14%0.04442%0.415CS..EExtended strand (participates in β ladder)trans-106.5138.5174.1-49.9-58.5000109.7A165 I168 I172 N215 L216 H219 W236 M237 L238A165-F222 HydrophobicContact CB-CE2 4.15Å; A165-F222 HydrophobicContact CB-CZ 4.2Å; A165-F222 WeakPolarHBondContact O-CZ 3.14Å; I168-F222 HydrophobicContact CB-CE1 4.1Å; I168-F222 HydrophobicContact CB-CE2 4.44Å; I168-F222 HydrophobicContact CB-CZ 3.83Å; I168-F222 HydrophobicContact CG2-CD1 3.9Å; I168-F222 HydrophobicContact CG2-CE1 3.46Å; I168-F222 VanDerWaalsContact CG2-CE1 3.46Å; I168-F222 HydrophobicContact CG2-CE2 4.14Å; I168-F222 HydrophobicContact CG2-CG 4.42Å; I168-F222 HydrophobicContact CG2-CZ 3.6Å; I172-F222 HydrophobicContact CD1-CD1 3.96Å; I172-F222 HydrophobicContact CD1-CE1 4.31Å; N215-F222 WeakPolarHBondContact O-CD2 3.47Å; L216-F222 HydrophobicContact CD2-CB 4.18Å; L216-F222 HydrophobicContact CD2-CD1 4.48Å; L216-F222 HydrophobicContact CD2-CD2 4.25Å; L216-F222 HydrophobicContact CD2-CG 4.03Å; H219-F222 HydrophobicContact CB-CD2 3.82Å; H219-F222 HydrophobicContact CB-CE2 3.86Å; H219-F222 PolarHBondContact O-N 2.85Å; F222-W236 HydrophobicContact CB-CE3 4.26Å; F222-M237 WeakPolarHBondContact CA-O 3.32Å; F222-L238 HydrophobicContact CD1-CD2 4.05Å; F222-L238 HydrophobicContact CE1-CD2 3.81Å
223I94.7Very high89.6Confident54 Ų5479.9 Ų79.928%0.27743%0.434SS..EExtended strand (participates in β ladder)trans-122.9133.9175.350.7172.6000109.5V225 W236 M237 N239I223-V225 HydrophobicContact CD1-CG2 4.37Å; I223-V225 HydrophobicContact CG1-CG2 4.49Å; I223-W236 WeakPolarHBondContact O-CA 3.33Å; I223-M237 HydrophobicContact CD1-CB 4.39Å; I223-M237 HydrophobicContact CD1-CE 3.99Å; I223-M237 HydrophobicContact CG1-CB 4.01Å; I223-M237 WeakPolarHBondContact CG1-O 3.31Å; I223-M237 PolarHBondContact N-O 2.74Å; I223-M237 PolarHBondContact O-N 3.27Å; I223-N239 HydrophobicContact CG2-CB 4.08Å
224R95.4Very high89.5Confident150 Ų15076.2 Ų76.257%0.56642%0.424SS*.EExtended strand (participates in β ladder)trans-87.8111.1172.7-171.4-177.468.786.21.6108.6S234 W235 W236R224-S234 PolarHBondContact NH1-OG 3.18Å; R224-W235 CarbonylContact C-O 3.46Å; R224-W235 WeakPolarHBondContact CA-O 3.39Å; R224-W236 HydrophobicContact CB-CD2 4.41Å; R224-W236 HydrophobicContact CB-CE3 4.02Å; R224-W236 HydrophobicContact CB-CH2 3.91Å; R224-W236 HydrophobicContact CB-CZ2 4.27Å; R224-W236 HydrophobicContact CB-CZ3 3.77Å; R224-W236 HydrophobicContact CG-CH2 4.34Å; R224-W236 HydrophobicContact CG-CZ2 4.21Å
225V93.5Very high89.5Confident51 Ų5173.2 Ų73.231%0.30941%0.408SS..EExtended strand (participates in β ladder)trans-99.8137.2173.7-179.60000108.2I223 S234 W235 M237I223-V225 HydrophobicContact CD1-CG2 4.37Å; I223-V225 HydrophobicContact CG1-CG2 4.49Å; V225-S234 WeakPolarHBondContact O-CB 3.38Å; V225-W235 HydrophobicContact CB-CB 4.31Å; V225-W235 PolarHBondContact N-O 3.11Å; V225-W235 PolarHBondContact O-N 2.92Å; V225-M237 HydrophobicContact CB-CG 4.4Å; V225-M237 HydrophobicContact CB-SD 4.34Å; V225-M237 HydrophobicContact CG2-CE 3.8Å; V225-M237 HydrophobicContact CG2-CG 3.9Å; V225-M237 HydrophobicContact CG2-SD 3.86Å
226Q92.2Very high89.4Confident103 Ų10374 Ų7448%0.48141%0.409SS..PPolyproline II helixtrans-64.3151.5177.5-174.744.740.200110.2S234Q226-S234 PolarHBondContact OE1-OG 3.06Å
227N88Confident89.4Confident16 Ų1676.4 Ų76.49%0.08642%0.421CS..PPolyproline II helixtrans-93.6136.8174.9-156.2-24.9000109.1G229 K232 S233 W235N227-G229 PolarHBondContact O-N 3.46Å; N227-K232 HydrophobicContact CB-CB 4.49Å; N227-S233 WeakPolarHBondContact CB-O 3.33Å; N227-S233 PolarHBondContact ND2-O 3.17Å; N227-W235 PolarHBondContact ND2-NE1 3.37Å; N227-W235 PolarHBondContact OD1-NE1 3.45Å
228E85.4Confident89.4Confident171 Ų17174 Ų7480%0.79940%0.401SS*.SBendtrans-58.5-27.8-178.2-46.3-51.1119.900112.8
229G79.5Confident89.2Confident32 Ų3271.1 Ų71.133%0.3339%0.386SS..SBendtrans-84.3112.9174.900000112.3N227 G231 K232N227-G229 PolarHBondContact O-N 3.46Å; G229-G231 PolarHBondContact O-N 3.49Å; G229-K232 WeakPolarHBondContact O-CB 3.19Å; G229-K232 PolarHBondContact O-N 2.81Å
230T58.4Low88.8Confident153 Ų15371.4 Ų71.494%0.93939%0.393SS*.THydrogen-bonded Turntrans-48.8120.8172-51.30000111.1
231G71.5Confident87.8Confident84 Ų8473.2 Ų73.287%0.86639%0.391SS*.THydrogen-bonded Turntrans88.3-11.4-178.200000116G229G229-G231 PolarHBondContact O-N 3.49Å
232K81Confident86.3Confident140 Ų14070.9 Ų70.961%0.60939%0.392SS*.SBendtrans-82.3143.3175.6-158.1169-173.9172.90110.9N227 G229 S234N227-K232 HydrophobicContact CB-CB 4.49Å; G229-K232 WeakPolarHBondContact O-CB 3.19Å; G229-K232 PolarHBondContact O-N 2.81Å; K232-S234 PolarHBondContact O-N 3.37Å
233S90.2Very high84.6Confident58 Ų5873.6 Ų73.641%0.40642%0.423SS..PPolyproline II helixtrans-55.7135.6-176.960.70000112.6T181 N227T181-S233 WeakPolarHBondContact CB-OG 3.12Å; T181-S233 WeakPolarHBondContact CG2-OG 3.5Å; N227-S233 WeakPolarHBondContact CB-O 3.33Å; N227-S233 PolarHBondContact ND2-O 3.17Å
234S94.4Very high82.9Confident20 Ų2079.4 Ų79.414%0.1445%0.447CS..PPolyproline II helixtrans-52.6150175.6-54.30000113.1R224 V225 Q226 K232R224-S234 PolarHBondContact NH1-OG 3.18Å; V225-S234 WeakPolarHBondContact O-CB 3.38Å; Q226-S234 PolarHBondContact OE1-OG 3.06Å; K232-S234 PolarHBondContact O-N 3.37Å
235W95.1Very high80.7Confident39 Ų3975.3 Ų75.315%0.14844%0.441CS..EExtended strand (participates in β ladder)trans-78.1143.2169.6-63.7108.3000110.6R179 T181 R224 V225 N227R179-W235 HydrophobicContact CB-CB 4.44Å; R179-W235 HydrophobicContact CB-CE3 4.17Å; R179-W235 HydrophobicContact CG-CD2 4.23Å; R179-W235 HydrophobicContact CG-CE3 3.87Å; R179-W235 HydrophobicContact CG-CZ3 4.27Å; T181-W235 HydrophobicContact CG2-CD2 4.29Å; T181-W235 HydrophobicContact CG2-CE3 3.82Å; T181-W235 HydrophobicContact CG2-CH2 4.18Å; T181-W235 HydrophobicContact CG2-CZ3 3.78Å; R224-W235 CarbonylContact C-O 3.46Å; R224-W235 WeakPolarHBondContact CA-O 3.39Å; V225-W235 HydrophobicContact CB-CB 4.31Å; V225-W235 PolarHBondContact N-O 3.11Å; V225-W235 PolarHBondContact O-N 2.92Å; N227-W235 PolarHBondContact ND2-NE1 3.37Å; N227-W235 PolarHBondContact OD1-NE1 3.45Å
236W96.5Very high78.7Confident39 Ų3976.2 Ų76.215%0.14846%0.461CS..EExtended strand (participates in β ladder)trans-109.9125165-67.695.8000108.3I172 R179 L180 I185 L216 F222 I223 R224I172-W236 HydrophobicContact CD1-CB 4.46Å; R179-W236 WeakPolarHBondContact CA-O 3.19Å; L180-W236 PolarHBondContact N-O 3.01Å; L180-W236 WeakPolarHBondContact O-CB 3.5Å; L180-W236 PolarHBondContact O-N 2.88Å; I185-W236 HydrophobicContact CD1-CB 4.03Å; I185-W236 HydrophobicContact CD1-CG 4.38Å; L216-W236 HydrophobicContact CB-CD2 4.16Å; L216-W236 HydrophobicContact CB-CE3 4Å; L216-W236 HydrophobicContact CB-CH2 3.86Å; L216-W236 HydrophobicContact CB-CZ2 4.04Å; L216-W236 HydrophobicContact CB-CZ3 3.84Å; L216-W236 HydrophobicContact CD1-CD2 4.12Å; L216-W236 HydrophobicContact CD1-CG 4.2Å; L216-W236 HydrophobicContact CD1-CZ2 4.5Å; L216-W236 HydrophobicContact CD2-CB 4.08Å; L216-W236 HydrophobicContact CD2-CD2 3.8Å; L216-W236 HydrophobicContact CD2-CE3 3.84Å; L216-W236 HydrophobicContact CD2-CG 3.91Å; L216-W236 HydrophobicContact CG-CD2 4.25Å; L216-W236 HydrophobicContact CG-CE3 4.4Å; L216-W236 VanDerWaalsContact O-CZ3 3.23Å; L216-W236 WeakPolarHBondContact O-CZ3 3.31Å; F222-W236 HydrophobicContact CB-CE3 4.26Å; I223-W236 WeakPolarHBondContact O-CA 3.33Å; R224-W236 HydrophobicContact CB-CD2 4.41Å; R224-W236 HydrophobicContact CB-CE3 4.02Å; R224-W236 HydrophobicContact CB-CH2 3.91Å; R224-W236 HydrophobicContact CB-CZ2 4.27Å; R224-W236 HydrophobicContact CB-CZ3 3.77Å; R224-W236 HydrophobicContact CG-CH2 4.34Å; R224-W236 HydrophobicContact CG-CZ2 4.21Å
237M95.3Very high76.7Confident53 Ų5380.9 Ų80.926%0.26148%0.479SS..EExtended strand (participates in β ladder)trans-122.9160178.8-35.9-161.6-42.400109.9R179 F222 I223 V225R179-M237 HydrophobicContact CB-CB 4.42Å; R179-M237 HydrophobicContact CB-CG 3.65Å; R179-M237 HydrophobicContact CB-SD 3.83Å; F222-M237 WeakPolarHBondContact CA-O 3.32Å; I223-M237 HydrophobicContact CD1-CB 4.39Å; I223-M237 HydrophobicContact CD1-CE 3.99Å; I223-M237 HydrophobicContact CG1-CB 4.01Å; I223-M237 WeakPolarHBondContact CG1-O 3.31Å; I223-M237 PolarHBondContact N-O 2.74Å; I223-M237 PolarHBondContact O-N 3.27Å; V225-M237 HydrophobicContact CB-CG 4.4Å; V225-M237 HydrophobicContact CB-SD 4.34Å; V225-M237 HydrophobicContact CG2-CE 3.8Å; V225-M237 HydrophobicContact CG2-CG 3.9Å; V225-M237 HydrophobicContact CG2-SD 3.86Å
238L95.1Very high74.6Confident38 Ų3885.1 Ų85.120%0.19951%0.51CS..EExtended strand (participates in β ladder)trans-75.1133.2166.2-78.8158.2000109.3T169 I172 E173 F222 P240T169-L238 HydrophobicContact CG2-CD1 4.06Å; T169-L238 HydrophobicContact CG2-CD2 4.04Å; I172-L238 HydrophobicContact CB-CD1 4Å; I172-L238 HydrophobicContact CB-CG 4.17Å; I172-L238 HydrophobicContact CD1-CG 4.35Å; I172-L238 HydrophobicContact CG2-CB 4.39Å; I172-L238 HydrophobicContact CG2-CD1 3.89Å; I172-L238 HydrophobicContact CG2-CG 3.92Å; E173-L238 HydrophobicContact CG-CD1 3.59Å; F222-L238 HydrophobicContact CD1-CD2 4.05Å; F222-L238 HydrophobicContact CE1-CD2 3.81Å; L238-P240 WeakPolarHBondContact O-CD 3.4Å
239N91.2Very high72.8Confident41 Ų4182.4 Ų82.422%0.21951%0.508CS..  trans-65.4116.3175.1-174.7-12.1000109.1S220 R221 I223 E241 G242 G243S220-N239 PolarHBondContact O-ND2 2.96Å; R221-N239 WeakPolarHBondContact O-CB 3.27Å; R221-N239 PolarHBondContact O-N 3.44Å; I223-N239 HydrophobicContact CG2-CB 4.08Å; N239-E241 PolarHBondContact O-N 2.84Å; N239-E241 PolarHBondContact OD1-N 2.97Å; N239-E241 VanDerWaalsContact OD1-N 3.14Å; N239-G242 PolarHBondContact O-N 2.73Å; N239-G243 PolarHBondContact O-N 3.02Å
240P84.6Confident71.7Confident65 Ų6592.5 Ų92.542%0.42254%0.536SS..Hα-helixtrans-60-34-178.624.2-33.4000111.9L238 G242L238-P240 WeakPolarHBondContact O-CD 3.4Å; P240-G242 VanDerWaalsContact C-N 3.31Å
241E71.6Confident71.5Confident138 Ų13896.7 Ų96.765%0.64553%0.534SS*.Hα-helixtrans-80.2-9.6176.6-56.2-50.7116.500113.5N239 S245N239-E241 PolarHBondContact O-N 2.84Å; N239-E241 PolarHBondContact OD1-N 2.97Å; N239-E241 VanDerWaalsContact OD1-N 3.14Å; E241-S245 PolarHBondContact O-OG 2.64Å
242G62.4Low70.6Confident33 Ų33104.3 Ų104.334%0.3454%0.537SS..Hα-helixtrans-101.2-9.4-176.700000114.9N239 P240N239-G242 PolarHBondContact O-N 2.73Å; P240-G242 VanDerWaalsContact C-N 3.31Å
243G61.5Low69.4Low68 Ų68102.5 Ų102.570%0.70155%0.548SS*.Hα-helixtrans-114.4-24-170.700000116.6N239N239-G243 PolarHBondContact O-N 3.02Å
244K57.2Low67.3Low176 Ų176104.3 Ų104.377%0.76557%0.567SS**SBendtrans-140.9-10.5-166.152.1-167.5170.2-169.70116.8G246K244-G246 VanDerWaalsContact C-N 3.32Å; K244-G246 PolarHBondContact O-N 3.35Å
245S51Low65.2Low63 Ų63108 Ų10844%0.44159%0.592SS.*SBendtrans-75.481.1165.549.80000110.4E241 K247E241-S245 PolarHBondContact O-OG 2.64Å; S245-K247 PolarHBondContact O-N 3.44Å
246G50.5Low63.1Low71 Ų71114.4 Ų114.473%0.73263%0.626SS**  trans-56.1130.9-175.700000113.4K244K244-G246 VanDerWaalsContact C-N 3.32Å; K244-G246 PolarHBondContact O-N 3.35Å
247K50.8Low60.7Low200 Ų200119.4 Ų119.487%0.8766%0.656SS**SBendtrans5666.5-179.5-53.6173.7-176.8174.50113.7S245 P249S245-K247 PolarHBondContact O-N 3.44Å; K247-P249 WeakPolarHBondContact O-CD 3.18Å
248S42.7Very low58.4Low106 Ų106123.8 Ų123.874%0.74168%0.68SS**  trans-45.1113.7166.5-177.40000110.3R250S248-R250 PolarHBondContact O-N 3.08Å
249P49.2Very low56Low114 Ų114128 Ų12874%0.7470%0.703SS**  trans-65.5120.8-171.4-24.835.5000110.5K247 R251K247-P249 WeakPolarHBondContact O-CD 3.18Å; P249-R251 PolarHBondContact O-N 3.46Å
250R55.2Low53.5Low243 Ų243129.6 Ų129.692%0.91772%0.717SS**  trans-53.6116.8174.3177.7176.5-73.9-173.8-3108.2S248 R252S248-R250 PolarHBondContact O-N 3.08Å; R250-R252 PolarHBondContact O-N 2.92Å; R250-R252 VanDerWaalsContact O-N 3.13Å
251R53.8Low51.3Low241 Ų241135 Ų13591%0.90973%0.734SS**  trans-38.9114.7-173-73.2177.7165.2-161.8-4112.2P249P249-R251 PolarHBondContact O-N 3.46Å
252R52.6Low49.9Very low245 Ų245136.9 Ų136.993%0.92574%0.741SS**PPolyproline II helixtrans-87.3134.6136.6-64.4-167.8-175.5109.2-1.1106.1R250 A254R250-R252 PolarHBondContact O-N 2.92Å; R250-R252 VanDerWaalsContact O-N 3.13Å; R252-A254 PolarHBondContact O-N 3.28Å
253A55.7Low49.2Very low102 Ų102141.2 Ų141.284%0.84377%0.766SS**PPolyproline II helixtrans-65.9127.8175.800000109.1
254A47.2Very low48.2Very low96 Ų96147.4 Ų147.479%0.79377%0.773SS**PPolyproline II helixtrans-73.4127.9165.200000108.1R252R252-A254 PolarHBondContact O-N 3.28Å
255S49.9Very low47.4Very low97 Ų97144.8 Ų144.868%0.67878%0.777SS**PPolyproline II helixtrans-64.6149.6165.1-179.40000109.4
256M52.1Low46.7Very low173 Ų173153.9 Ų153.985%0.85280%0.802SS**  trans-94.792.4171.9-78.9172.550.500110.2N258M256-N258 PolarHBondContact O-N 2.89Å
257D46.5Very low46Very low145 Ų145154 Ų15478%0.77580%0.802SS**  trans-8097170.92.4-70.9000110.2N259D257-N259 PolarHBondContact O-N 2.86Å
258N46.7Very low45.4Very low145 Ų145156.5 Ų156.578%0.77581%0.806SS**  trans-89.3100.9-176.1-165.5-18.8000111.5M256M256-N258 PolarHBondContact O-N 2.89Å
259N44.8Very low45.1Very low125 Ų125156.2 Ų156.267%0.66881%0.81SS**  trans-126.258.7-178.8-167.8-0.6000113.1D257D257-N259 PolarHBondContact O-N 2.86Å
260S37.9Very low44.5Very low75 Ų75155.7 Ų155.752%0.52482%0.815SS.*  trans-9981.1165.8-166.60000111.3F262S260-F262 VanDerWaalsContact C-N 3.32Å; S260-F262 PolarHBondContact O-N 3.05Å; S260-F262 VanDerWaalsContact OG-CE2 3.29Å; S260-F262 WeakPolarHBondContact OG-CE2 3.47Å
261K38.9Very low43.9Very low180 Ų180154.3 Ų154.378%0.78382%0.816SS**  trans-73.875.4178.948.2-179.1171.4-179.50112.4S263K261-S263 PolarHBondContact O-N 2.95Å; K261-S263 VanDerWaalsContact O-N 3.14Å
262F42.6Very low43.2Very low177 Ų177152.7 Ų152.778%0.77682%0.816SS**  trans-62.9109.5176.2-79-74000112.8S260 K264S260-F262 VanDerWaalsContact C-N 3.32Å; S260-F262 PolarHBondContact O-N 3.05Å; S260-F262 VanDerWaalsContact OG-CE2 3.29Å; S260-F262 WeakPolarHBondContact OG-CE2 3.47Å; F262-K264 VanDerWaalsContact C-N 3.35Å; F262-K264 PolarHBondContact O-N 3.02Å
263S46.5Very low42.5Very low124 Ų124150.5 Ų150.587%0.86781%0.813SS**  trans-71.881.2169.142.20000111.6K261K261-S263 PolarHBondContact O-N 2.95Å; K261-S263 VanDerWaalsContact O-N 3.14Å
264K40.3Very low41.5Very low198 Ų198152.6 Ų152.686%0.86181%0.809SS**  trans-101.398.3176-132.2162-170.8166.60111F262F262-K264 VanDerWaalsContact C-N 3.35Å; F262-K264 PolarHBondContact O-N 3.02Å
265S41.2Very low40.8Very low120 Ų120153.6 Ų153.684%0.83981%0.81SS**  trans-70.1157.1-176.9500000113.2
266R36.1Very low40.3Very low255 Ų255157 Ų15796%0.96282%0.82SS**  trans-88.2121.1-168.8-179.9177.7-179.3161.2-2.2111.2
267G36.4Very low39.7Very low72 Ų72158.1 Ų158.174%0.74282%0.823SS**  trans-153.2101.9176.700000114
268R38.1Very low38.8Very low254 Ų254154.9 Ų154.996%0.95882%0.824SS**  trans-146.8131.9159.6-71.4-166.2-176.4-139.22.5108.4
269A35.4Very low38.1Very low100 Ų100151.4 Ų151.483%0.82682%0.822SS**  trans-139149.6179.500000111.8
270A36Very low38.2Very low102 Ų102150.6 Ų150.684%0.84382%0.824SS**  trans47.292.2160.100000120.1
271K42.6Very low38Very low215 Ų215154.5 Ų154.594%0.93584%0.839SS**  trans-57.6121152.8159.9-164.1172.5-178.10112
272K40.3Very low37.7Very low207 Ų207149.6 Ų149.690%0.984%0.84SS**  trans-167.8110.1152.7-144.5179.4-175.8-177.40116.8
273K37.9Very low37.3Very low198 Ų198147.3 Ų147.386%0.86185%0.845SS**  trans-176106.5140.6-144.7174.3-179.9-176.20105.7
274L34.6Very low36.9Very low146 Ų146145.1 Ų145.176%0.76484%0.835SS**  62.790.970.4-160.380.8000112.4
275S31.4Very low36.6Very low118 Ų118143 Ų14383%0.82583%0.833SS**  trans-97.7141.5164.946.10000109.9
276L39.8Very low36.6Very low167 Ų167142.2 Ų142.287%0.87483%0.827SS**  trans-123.7144.3170.4-98.5153.6000108
277Q39Very low37.2Very low197 Ų197136.1 Ų136.192%0.92182%0.821SS**  trans-130.7142.5-173.5-176.691.769.500108.7
278G29.2Very low36.9Very low77 Ų77136.3 Ų136.379%0.79482%0.823SS**  trans114.4144.6-173.300000110.4
279G30.8Very low36.5Very low72 Ų72129 Ų12974%0.74281%0.811SS**  cis-143-162.47.700000112.8
280P47.3Very low36.2Very low109 Ų109133.8 Ų133.871%0.70881%0.809SS**  trans-100.6-161-157.339.3-35.2000115.1
281D32.8Very low36.3Very low157 Ų157134.4 Ų134.484%0.8481%0.807SS**  trans78.1141.9168.1-41.3-37000116.5
282G33.3Very low35.7Very low77 Ų77133.5 Ų133.579%0.79480%0.803SS**  cis144.783.9-8.300000114.1
283S34.6Very low35.8Very low128 Ų128134.9 Ų134.990%0.89580%0.803SS**  trans-161.8170.9170-1580000113.6
284A37.1Very low36.1Very low79 Ų79131.6 Ų131.665%0.65380%0.802SS**  trans-70.6168.1176.800000112
285D33.8Very low35.9Very low153 Ų153127.2 Ų127.282%0.81879%0.792SS**  cis-162.6-169.147-130.4-53.3000114.5
286S42.6Very low36Very low103 Ų103127.4 Ų127.472%0.7279%0.793SS**  trans-149.9174.8176-71.80000110.9
287P47.1Very low36.3Very low128 Ų128124.7 Ų124.783%0.83179%0.786SS**  cis-130.5176.8-5.840.5-24.5000115.3
288G30.4Very low35.9Very low76 Ų76122.9 Ų122.978%0.78478%0.782SS**  trans78.7177.5160.600000116.6
289S29.4Very low36.1Very low100 Ų100123.9 Ų123.970%0.69978%0.777SS**  cis-158.6147.9-18.6-159.70000110.3
290Y30Very low36.2Very low201 Ų201129 Ų12979%0.78878%0.782SS**  trans42.5129.6171.563.9-101.1000121.9
291S37.3Very low35.3Very low114 Ų114128.8 Ų128.880%0.79778%0.782SS**  trans56.9131.7134-58.90000123.2
292K31.4Very low35.1Very low197 Ų197127.6 Ų127.686%0.85778%0.776SS**  125.5133.7125.8-156.4170.9-175.2179.50115.4
293W41.7Very low35Very low235 Ų235130.4 Ų130.489%0.8977%0.773SS**  trans-54.4157.7-179-5881.9000115.5
294P45Very low34.9Very low129 Ų129131.3 Ų131.384%0.83877%0.768SS**  -112.2154.3115.135-33.9000111.3
295G29.8Very low34.6Very low55 Ų55137.6 Ų137.657%0.56778%0.776SS**  trans-140-173.8176.200000112.3
296S33.9Very low34.7Very low122 Ų122137 Ų13785%0.85377%0.773SS**  trans82.1159.5-177-35.30000114.9
297P46.6Very low34.3Very low109 Ų109136.1 Ų136.171%0.70877%0.772SS**  -138.5160.4-50.137.1-22.8000113.7
298N29.5Very low33.8Very low159 Ų159140.8 Ų140.885%0.8577%0.773SS**  -177.5162.3119.2-102.514000112.9
299S33.2Very low34Very low98 Ų98144.7 Ų144.769%0.68578%0.776SS**  trans-108.1177.7-167.7-58.20000113.9
300H33.1Very low34.1Very low181 Ų181143 Ų14384%0.83877%0.774SS**  trans87.2134.6165.7-52.7-79.7000117.2
301S29.2Very low34.1Very low104 Ų104142.1 Ų142.173%0.72778%0.775SS**  cis-170.2156-13.348.30000113
302N28.4Very low34.2Very low132 Ų132147 Ų14771%0.70678%0.776SS**  trans85.5104.8148.6-158.9-129.2000118.4
303D31.6Very low34.9Very low135 Ų135143.1 Ų143.172%0.72277%0.771SS**  trans66.384.6140.2-53.74.1000120.3
304D31.3Very low34.5Very low148 Ų148143 Ų14379%0.79177%0.77SS**  trans-67.9132.8150.9-109.5-88.3000111
305Y32Very low34.1Very low210 Ų210142.5 Ų142.582%0.82477%0.765SS**  trans-144.9143.7161.1-118.3-90.6000110.4
306D36Very low34.4Very low140 Ų140144.9 Ų144.975%0.74977%0.773SS**  trans60.359.4172.1-66.9-52.2000118.8W308D306-W308 VanDerWaalsContact C-N 3.35Å; D306-W308 PolarHBondContact O-N 3.1Å; D306-W308 VanDerWaalsContact O-N 3.12Å
307A33.6Very low34.4Very low86 Ų86145 Ų14571%0.71177%0.773SS**  trans-79.469.3162.600000113.3
308W36.3Very low34Very low226 Ų226147.4 Ų147.486%0.85678%0.78SS**  trans-136147.4167.2-84.991.1000113.1D306D306-W308 VanDerWaalsContact C-N 3.35Å; D306-W308 PolarHBondContact O-N 3.1Å; D306-W308 VanDerWaalsContact O-N 3.12Å
309N35.5Very low34.2Very low158 Ų158144.7 Ų144.785%0.84578%0.78SS**  trans85.260.1177.6-53.9-77.5000118.6
310G31.4Very low34.3Very low63 Ų63144.9 Ų144.965%0.64978%0.781SS**  trans-108157.9132.700000108.9
311F29.9Very low34.3Very low184 Ų184142.8 Ų142.881%0.80778%0.782SS**  cis-138.5135.911.7-85-114.1000109.8
312R38.1Very low34.6Very low216 Ų216144.1 Ų144.182%0.81579%0.785SS**  70.8167.891.5-50.7-167.3-177.8-96.9-0.1115
313P46.5Very low34.9Very low116 Ų116143.3 Ų143.375%0.75379%0.789SS**  -138.6-173.5-9240.6-20.2000114.8
314R34.3Very low34.8Very low233 Ų233140.5 Ų140.588%0.87979%0.792SS**  trans-156.6144.1152.4-123.1168.2162.996.2-1.8114.8
315T35.5Very low35.2Very low118 Ų118145.3 Ų145.372%0.72480%0.8SS**  trans6.5129.2168.554.70000120.5
316S37.3Very low35.2Very low105 Ų105143.6 Ų143.673%0.73480%0.804SS**  cis89.58124.3870000118.2
317S32.4Very low35.1Very low124 Ų124141.6 Ų141.687%0.86780%0.801SS**  trans-175.8130.1141.7-77.50000108.4
318N38.2Very low35.2Very low159 Ų159143.1 Ų143.185%0.8580%0.803SS**  cis96.676.622.9-166.965.2000115.8
319A33.8Very low34.8Very low102 Ų102141.5 Ų141.584%0.84380%0.803SS**  trans-162.5157.4152.300000110.1
320S35.2Very low34.7Very low103 Ų103140.1 Ų140.172%0.7280%0.8SS**  trans-135.3146.4-176.4-570000111.3
321T34.8Very low35.6Very low137 Ų137141.9 Ų141.984%0.8480%0.8SS**  trans58.2147.315356.40000117.7
322V35.5Very low35.6Very low131 Ų131142.4 Ų142.479%0.79480%0.804SS**  cis-159.5172.426.279.50000111.2
323S34Very low35.5Very low115 Ų115139.1 Ų139.180%0.80480%0.803SS**  trans0.7130.2157.5-167.50000119.9
324G30.3Very low34.8Very low76 Ų76140.2 Ų140.278%0.78480%0.803SS**  trans-17991.5163.800000114.1
325R38Very low35Very low250 Ų250136.2 Ų136.294%0.94380%0.798SS**  trans-78.5135.7158.4-82.6-179.7167-120.32.1108.7
326L32.2Very low34.9Very low173 Ų173133.3 Ų133.391%0.90679%0.792SS**  trans-171.8160.5136.5-102.2167.6000110.1
327S35.4Very low34.5Very low99 Ų99136.7 Ų136.769%0.69280%0.796SS**  trans-94.1158.9-165.3-46.50000114.3
328P34.8Very low34.5Very low117 Ų117136.3 Ų136.376%0.7679%0.793SS**  trans-102.8112.6163.734.9-25.9000112.6
329F27.2Very low34.1Very low193 Ų193135.3 Ų135.385%0.84679%0.788SS**  trans-157.1155.3161.1-75.3-67000105
330V33.5Very low34.1Very low129 Ų129136.1 Ų136.178%0.78278%0.782SS**  cis-143-164.811.8-123.30000106.2
331P50.3Low33.8Very low100 Ų100138.9 Ų138.965%0.64978%0.783SS**  cis-128.1157.23.541.1-25.1000116.4
332E31.2Very low33.7Very low194 Ų194140.1 Ų140.191%0.90778%0.781SS**  -153.1150.3124.1-114.9169.3135.300108
333D34.3Very low33.3Very low148 Ų148136.8 Ų136.879%0.79177%0.774SS**  trans-115.4168.9-169.1-78.3-81.2000111.8
334D33.4Very low33.2Very low138 Ų138141.9 Ų141.974%0.73878%0.777SS**  trans87.9111.7152.4-124.433.8000121.1
335L38.2Very low33.9Very low150 Ų150143.8 Ų143.879%0.78578%0.775SS**  trans72.1144.3145.8-58.1172.3000123.4
336G32.6Very low33.5Very low57 Ų57135.5 Ų135.559%0.58877%0.767SS**  trans80.7120.2157.500000116.2
337E30.2Very low33.7Very low176 Ų176132 Ų13282%0.82276%0.764SS**  cis80.4141.233.3103-163.9101.200115.1
338S31.7Very low34.4Very low116 Ų116133.4 Ų133.481%0.81177%0.771SS**  trans62.3133.1-158.763.20000113.8
339D30.1Very low34.3Very low137 Ų137131.2 Ų131.273%0.73377%0.769SS**  cis89.1123.841.6-164.7-126000113.9
340V33.1Very low34.8Very low120 Ų120126.7 Ų126.773%0.72776%0.761SS**  trans50.4151.8173.1-64.30000122.5
341H29.1Very low34.7Very low161 Ų161129.1 Ų129.175%0.74576%0.761SS**  trans103.9114.9135.1-14667.1000120.4
342M33Very low34Very low163 Ų163132.3 Ų132.380%0.80377%0.769SS**  trans66.3156152.3-70-71.2-117.900119.2
343G26.8Very low33.9Very low61 Ų61128.9 Ų128.963%0.62976%0.762SS**  cis167.5176.3-7.100000112.9
344Y31.6Very low33.7Very low221 Ų221126.1 Ų126.187%0.86776%0.76SS**  trans-131.4138.1173.1-132.3-99.7000110.3
345P45.7Very low33.8Very low117 Ų117126.4 Ų126.476%0.7677%0.767SS**  trans-76.4161.1176.933-36.1000111.5
346G28.9Very low33.6Very low75 Ų75127.3 Ų127.377%0.77377%0.772SS**  cis-175.2158.5-2.200000111.1
347A35.8Very low33.9Very low101 Ų101131 Ų13184%0.83579%0.785SS**  trans-87.8-167.8-17700000111.8
348P50.3Low33.8Very low128 Ų128127.7 Ų127.783%0.83178%0.781SS**  cis-114.3179.320.442.1-30.7000113.8
349G33.4Very low33.9Very low70 Ų70129.6 Ų129.672%0.72278%0.782SS**  cis171.6178.40.600000108.2
350S37.2Very low34Very low99 Ų99128 Ų12869%0.69278%0.777SS**  cis-159.5128.20.6-91.10000111.4
351K32.4Very low33.9Very low180 Ų180130.8 Ų130.878%0.78378%0.782SS**  trans17.3142.3139.651.8179.8173.3-172.70121.4
352M34.1Very low34.2Very low166 Ų166132.4 Ų132.482%0.81879%0.792SS**  -174.3109123.8-89.6-67.6-17300113.8
353T29.5Very low34Very low123 Ų123131.9 Ų131.976%0.75580%0.799SS**  trans46.1112139.165.40000125.8
354A30.8Very low34.1Very low90 Ų90132.3 Ų132.374%0.74480%0.802SS**  87.1151.1109.300000125.3
355T34.9Very low34.2Very low144 Ų144127.6 Ų127.688%0.88380%0.802SS**  trans80.6143.816660.20000120.6
356L33.8Very low33.6Very low169 Ų169130.2 Ų130.289%0.88581%0.808SS**  trans-109.4159-179.5-58.5170.7000109.8
357P39.6Very low33.8Very low134 Ų134129.4 Ų129.487%0.8780%0.8SS**  -143.1-179.689.338.6-22.7000115.2
358S28.7Very low33.6Very low106 Ų106134 Ų13474%0.74180%0.804SS**  trans-84145.6-176.6-179.80000114
359L33.2Very low32.7Very low157 Ų157133.3 Ų133.382%0.82280%0.802SS**  -171.1125.8120.1-100.3169.3000113.1
360T31.9Very low32.6Very low102 Ų102134.7 Ų134.763%0.62680%0.801SS**  trans35.8124.3139.9-52.20000122.6
361E30.5Very low32.3Very low180 Ų180138 Ų13884%0.84181%0.806SS**  trans75.4159.6153.3-74.7170.7141.400121.5
362M36.4Very low32.5Very low195 Ų195136.3 Ų136.396%0.96181%0.805SS**  trans56.692.6-179.470.7172.5-168.800120
363T28.2Very low32.9Very low152 Ų152135.5 Ų135.593%0.93381%0.809SS**  trans-150.3149.1145.1-166.60000108.6
364G29.8Very low33.4Very low69 Ų69137.9 Ų137.971%0.71181%0.814SS**  cis-138.4-175.83.700000113
365S33.8Very low34.3Very low122 Ų122142 Ų14285%0.85382%0.818SS**  trans-97.3161.9-169.5-167.30000114.1
366L31.9Very low34.4Very low172 Ų172141.9 Ų141.990%0.90181%0.811SS**  trans70.773.6156.6-159.465.4000117.4
367G32.9Very low35Very low58 Ų58141.6 Ų141.660%0.59881%0.81SS**  trans-152.7158.9158.900000111
368H33.2Very low35.4Very low198 Ų198143.5 Ų143.592%0.91781%0.812SS**  trans73.7116.6173.5-53.1-74.3000117.8
369S29.8Very low36.1Very low114 Ų114145 Ų14580%0.79781%0.811SS**  trans-74.8143169.9163.70000111.5
370S32Very low36.2Very low98 Ų98144.8 Ų144.869%0.68581%0.811SS**  trans19.8117.8155-166.90000118.5
371E30.9Very low36.8Very low170 Ų170148.1 Ų148.179%0.79482%0.824SS**  trans-68.8-164.5160.2-62.5149.8125.700111.6
372N35.9Very low37Very low144 Ų144146.5 Ų146.577%0.7782%0.821SS**  trans97.829.7165.7-48.8-36.4000119.9
373V44.4Very low37.1Very low149 Ų149143.8 Ų143.890%0.90381%0.81SS**SBendtrans-134.746.8166.7-155.60000113.8
374M39.7Very low37.3Very low173 Ų173143.7 Ų143.785%0.85280%0.803SS**SBendtrans-141.39.2166.8-149.2170.3-70.100114.7
375E48.8Very low37.4Very low177 Ų177145.6 Ų145.683%0.82781%0.805SS**SBendtrans-109.143.2-178-78.8-69.9157.900111.8
376N37.3Very low37.5Very low141 Ų141146 Ų14675%0.75481%0.805SS**  trans-155.946.2175.6-137.1-73.9000114.4
377L46.7Very low37.3Very low163 Ų163145 Ų14585%0.85380%0.8SS**SBendtrans-129.118.7173.9-77.8173.7000113.1
378L48.2Very low37.2Very low174 Ų174149.1 Ų149.191%0.91181%0.809SS**SBendtrans-118.17.2-180-70.4177.3000114.2
379D41.9Very low37Very low136 Ų136144.8 Ų144.873%0.72780%0.801SS**SBendtrans-107.4146.4173.4-120.4-45.6000111.5
380N36Very low37.3Very low153 Ų153147.5 Ų147.582%0.81880%0.801SS**  trans7247.4-172.7-55.2-84.6000117
381L44.4Very low37.3Very low173 Ų173149.6 Ų149.691%0.90681%0.809SS**  trans-96.376.5150.1-142.884.9000110.6
382N35.6Very low37.4Very low145 Ų145144.9 Ų144.978%0.77581%0.806SS**  trans-156.6145.8169.6-123.7-43.1000114.9
383L37.4Very low37.1Very low139 Ų139142 Ų14273%0.72881%0.811SS**  trans65.184.8165.2-52.5-176.9000120.1
384L32.9Very low36.5Very low150 Ų150138.6 Ų138.679%0.78581%0.806SS**  53.4112.7116.6-66167.7000121.7
385S32.2Very low36.3Very low108 Ų108134.7 Ų134.776%0.75580%0.801SS**  trans68.6143.9132.5-620000121.2
386P35.1Very low35.7Very low130 Ų130133.1 Ų133.184%0.84480%0.804SS**  trans-80.5148.6179.734.2-35.4000112.1
387N27.3Very low35.6Very low151 Ų151132.8 Ų132.881%0.80781%0.807SS**  trans-114.9138164.6-160.811.6000110.3
388N31.2Very low35.7Very low145 Ų145131 Ų13178%0.77581%0.805SS**  trans-85.1140.5176.4-17514.6000109.2
389S30.2Very low34.8Very low108 Ų108126 Ų12676%0.75580%0.795SS**  trans-154.5119.4177.6-72.30000111.5
390Q34.6Very low34.3Very low171 Ų171125 Ų12580%0.79980%0.799SS**  trans-127.4129.2179.5177.5-178.226.900108.9
391V33.6Very low34.1Very low141 Ų141122 Ų12286%0.85579%0.791SS**  trans66148.5162.7166.60000117.8
392G31.3Very low33.5Very low71 Ų71123 Ų12373%0.73279%0.79SS**  trans106.597.9148.200000116.1
393G31.5Very low33.3Very low85 Ų85121.3 Ų121.388%0.87679%0.79SS**  trans-89.6-167.2168.200000112.9
394G31.3Very low33.1Very low76 Ų76120 Ų12078%0.78479%0.793SS**  trans121.636.3150.100000121.3
395A35.6Very low34.1Very low92 Ų92118.7 Ų118.776%0.7679%0.793SS**  trans59.4165.8145.200000122.7
396T36Very low34.3Very low143 Ų143118.7 Ų118.788%0.87779%0.793SS**  trans81.9151.7170.274.30000119
397T34.6Very low35.4Very low134 Ų134118.1 Ų118.182%0.82279%0.79SS**  trans-126-174.7-170.757.60000108
398P49.2Very low35.8Very low125 Ų125118.2 Ų118.281%0.81279%0.787SS**  cis-140.6-1765.443.5-24.5000116.7
399G28.8Very low36Very low69 Ų69119.2 Ų119.271%0.71179%0.789SS**  trans123.5115.1163.800000113.7
400S31.9Very low36.6Very low116 Ų116122.5 Ų122.581%0.81179%0.793SS**  73.4123.771.1170.70000113.8
401S31.1Very low37Very low91 Ų91119.9 Ų119.964%0.63679%0.79SS**  cis-167169.9-3.3-74.70000110.6
402Q32.3Very low37Very low192 Ų192118.4 Ų118.490%0.89779%0.786SS**  trans73.7148.6165.4-57179.799.700116.7
403S31.7Very low38.1Very low111 Ų111121.2 Ų121.278%0.77679%0.792SS**  cis-160.2156.6-9.743.40000112.3
404S33.1Very low37.9Very low112 Ų112120.7 Ų120.778%0.78379%0.786SS**  trans-78.4-173.7171-42.40000112.1
405P53.4Low38.1Very low122 Ų122128.2 Ų128.279%0.79279%0.793SS**  cis-141.1-176.4544.5-25.7000117.4
406S37.6Very low38.7Very low107 Ų107129.3 Ų129.375%0.74879%0.792SS**  trans-86.2171.2159.7-450000111.6
407P56.9Low38.3Very low119 Ų119126.4 Ų126.477%0.77378%0.783SS**  -151.9141.699.535.6-16.1000118.8
408M35.8Very low38Very low153 Ų153130.4 Ų130.475%0.75478%0.784SS**  trans-13.3142.8148.857.5-178.378.900122.6
409M36.3Very low37.1Very low166 Ų166129 Ų12982%0.81878%0.777SS**  170170.8109.9-92.1-62.2151.500115.8
410Q41.4Very low37.4Very low177 Ų177131.2 Ų131.283%0.82778%0.782SS**  trans-87-173.2-178.6-64.1-165.4-6.500113.4
411P44.1Very low38.1Very low115 Ų115131.9 Ų131.975%0.74778%0.783SS**  cis-139.6-169.43.543.4-22.6000117.6
412S33.1Very low38.3Very low110 Ų110132.9 Ų132.977%0.76979%0.79SS**  trans-84.5-173.3168.5-41.50000112.2
413P53.4Low38.3Very low131 Ų131133.1 Ų133.185%0.85179%0.794SS**  cis-136.8-177.3-0.643.5-26.1000116.1
414G28.6Very low38.2Very low74 Ų74131.3 Ų131.376%0.76379%0.792SS**  trans176.5130.516600000117.8
415Y35.6Very low38.1Very low234 Ų234131.4 Ų131.492%0.91879%0.793SS**  trans-119.1168.2162.1-95.5-73.1000106.8
416P46.8Very low36.8Very low114 Ų114134.6 Ų134.674%0.7480%0.798SS**  cis-153.3-172.73744.4-22.3000119.1
417A28.7Very low36.3Very low83 Ų83134.6 Ų134.669%0.68680%0.798SS**  trans90.1125.6136.300000124.2
418Y29Very low34.8Very low218 Ų218136.7 Ų136.786%0.85580%0.797SS**  trans84.8100.9133.4-95-116.9000123.8
419S29.4Very low34.5Very low95 Ų95137.1 Ų137.166%0.66480%0.798SS**  74.5130.4114.5-57.50000123.1
420S34.9Very low34Very low115 Ų115137.4 Ų137.480%0.80480%0.797SS**  trans-67.1164.7159.2-38.90000112.3
421P46.4Very low33.4Very low131 Ų131137.1 Ų137.185%0.85179%0.793SS**  -145175.594.939.7-25.5000114.9
422S35.8Very low32.7Very low111 Ų111139.3 Ų139.378%0.77679%0.793SS**  trans-116.2125.5-178.856.80000113.5
423M33Very low32.5Very low197 Ų197143.3 Ų143.397%0.9780%0.796SS**  trans-153.8154.1163.6-84.8-65.4-168.600107.4
424G29Very low31.4Very low73 Ų73142.6 Ų142.675%0.75379%0.793SS**  cis-163.3-162.43.500000112.3
425S30.4Very low31.5Very low115 Ų115145.6 Ų145.680%0.80480%0.796SS**  trans-105.2151.1-162.557.60000116.6
426Q27Very low31.2Very low188 Ų188143.3 Ų143.388%0.87979%0.788SS**  trans178.1162.7149.6-103.2170-2.100109.1
427S26.8Very low30.5Very low108 Ų108141.1 Ų141.176%0.75579%0.786SS**  cis-168.1174.1-33.845.70000108.9
428Q25.5Very low30.9Very low163 Ų163144.4 Ų144.476%0.76279%0.787SS**  trans-69.4170.5-168.1-68.1-173.6-36.600118
429Q28.2Very low31.1Very low162 Ų162139.3 Ų139.376%0.75779%0.79SS**  trans8390.7144.4-83.2158.7-4.200121.3
430E26.5Very low31.5Very low171 Ų171137.8 Ų137.880%0.79979%0.789SS**  30124.3113-178.7166.8-150.400120.9
431F28.8Very low31.7Very low171 Ų171140.6 Ų140.675%0.7579%0.792SS**  -173150.2126.1-116.4-63.7000115.4
432H30.1Very low31Very low161 Ų161140.3 Ų140.375%0.74578%0.783SS**  trans70.8146.4164.3-45.1-51.3000117.1
433K28.5Very low30.8Very low194 Ų194141 Ų14184%0.84378%0.782SS**  cis-156.6156.412.5-142.9169.1-175.8176.80111.9
434C29.6Very low30.9Very low116 Ų116139.4 Ų139.478%0.78478%0.777SS**  trans-24.6148177-41.90000117.9
435V30.9Very low32.3Very low137 Ų137141.6 Ų141.683%0.8378%0.778SS**  cis-162163.548.9173.40000107.8
436Y30.2Very low32.2Very low186 Ų186141.4 Ų141.473%0.72978%0.777SS**  cis150.6136.6-29-173.2-86.5000107Q438Y436-Q438 HydrophobicContact CE1-CB 4.13Å; Y436-Q438 HydrophobicContact CE1-CG 4.25Å
437G32.4Very low32.5Very low68 Ų68140.3 Ų140.370%0.70177%0.774SS**  cis-150.6-128.5-300000108.5
438Q36.2Very low33.9Very low152 Ų152140.4 Ų140.471%0.7177%0.772SS**  cis-165.298.8-10.4-176.9-172.2-33.700110.8Y436Y436-Q438 HydrophobicContact CE1-CB 4.13Å; Y436-Q438 HydrophobicContact CE1-CG 4.25Å
439A34.3Very low34Very low111 Ų111140 Ų14092%0.91777%0.774SS**  trans64.5147.5166.700000120.3
440G36.3Very low34.5Very low63 Ų63139.8 Ų139.865%0.64977%0.773SS**  cis162.8161.6-13.500000116.2
441M39.3Very low34.6Very low175 Ų175137.9 Ų137.986%0.86277%0.773SS**  trans68.1156.4161.591.9170.472.800118.8
442N31.6Very low34.6Very low124 Ų124137.2 Ų137.266%0.66378%0.777SS**  cis-161.3156-2-132.6-8.5000114.4
443T32Very low34.6Very low125 Ų125134.2 Ų134.277%0.76777%0.774SS**  trans55.1144.8149.150.90000125.8
444L36.5Very low34.4Very low165 Ų165132.7 Ų132.786%0.86477%0.77SS**  trans-94.4-171.5162.9-57.9163.3000110.4
445P56.7Low34.4Very low118 Ų118134.3 Ų134.377%0.76677%0.771SS**  cis-139.8-165.6-4.643.1-23.5000116.2
446S29.4Very low34.8Very low111 Ų111135.8 Ų135.878%0.77677%0.766SS**  trans100.9151.2149.6-158.30000122.1
447M33.4Very low35.7Very low165 Ų165133 Ų13381%0.81377%0.771SS**  trans-88.2-176.2167.9-50.2-89.898.100110.3
448P54.8Low35.5Very low110 Ų110132.3 Ų132.371%0.71476%0.763SS**  cis-143.4-169.52.543.7-23.8000117.6
449L28.1Very low35.4Very low155 Ų155134.1 Ų134.181%0.81277%0.769SS**  trans82.6159.8148.3-88.1166.6000123.8
450Q39.7Very low35.5Very low158 Ų158134.6 Ų134.674%0.73876%0.76SS**  trans-64.9157.4-176.1-105.298.8-12.400116.5
451T28.3Very low36.3Very low131 Ų131137.7 Ų137.780%0.80477%0.769SS**  -178.2161.8107.9340000115.7
452L27.6Very low36.1Very low157 Ų157132.6 Ų132.682%0.82276%0.761SS**  trans-16.1164.3142.3-64.4161.9000118
453S30.2Very low36.4Very low98 Ų98135.7 Ų135.769%0.68577%0.774SS**  cis-174.1163.5-18.4-171.70000110.1
454E25.7Very low36.3Very low161 Ų161132.8 Ų132.875%0.75277%0.769SS**  trans54.4117.5148.7-170174.411600122.5
455N29.9Very low36.1Very low151 Ų151133.9 Ų133.981%0.80777%0.769SS**  -166.4167115.8-115.7-75.4000115.8
456K37.3Very low34.8Very low168 Ų168138.9 Ų138.973%0.7378%0.775SS**  trans-146.7159.4-176.6-146.6-169.7176.4175.80109.2
457P49.8Very low35Very low128 Ų128138.9 Ų138.983%0.83178%0.775SS**  -152176.286.337.3-16.9000116.1
458G28.4Very low35.5Very low52 Ų52136.8 Ų136.854%0.53678%0.775SS.*  trans88.6111.3173.700000114.5
459F34Very low35Very low190 Ų190137.8 Ų137.883%0.83378%0.781SS**  79.113455.6-75.7-145.6000112.4
460V36.3Very low35.5Very low121 Ų121135.7 Ų135.773%0.73379%0.786SS**  cis-164.6170.8-18.8-83.20000106.3
461P53.2Low35.3Very low128 Ų128131.7 Ų131.783%0.83179%0.787SS**  cis-108.2-173.6-11.841.1-29.2000111
462G34.9Very low35.8Very low68 Ų68133.1 Ų133.170%0.70179%0.79SS**  cis131.2149.46.200000109.5
463M37.3Very low36.2Very low190 Ų190132.7 Ų132.794%0.93679%0.787SS**  cis-152.3153.5-5.4-56.5176.269.500106.9
464G29.9Very low36.7Very low64 Ų64135.7 Ų135.766%0.6679%0.788SS**  cis-175.6147.6-8.800000109.3
465Q33.2Very low37.2Very low187 Ų187137.1 Ų137.187%0.87479%0.794SS**  trans-107.9139.9176.4-73.1-175.3-13.500110.8
466Y29.1Very low37.6Very low223 Ų223138.1 Ų138.188%0.87580%0.799SS**  trans-141135.9163.4-60.1-69.9000110
467S33.2Very low37.5Very low112 Ų112136.6 Ų136.678%0.78380%0.798SS**  trans-131.4109.6169.2-169.70000108.6
468C45.5Very low36.7Very low120 Ų120137 Ų13781%0.81180%0.798SS**  trans56.5129176.5-56.90000117.4
469P43Very low36.9Very low131 Ų131139.2 Ų139.285%0.85181%0.806SS**  -128179.4108.738.1-33.2000112.8
470A39.4Very low36.6Very low111 Ų111138 Ų13892%0.91781%0.808SS**  trans-71.1139.5-171.900000114
471G36Very low36.5Very low74 Ų74137.6 Ų137.676%0.76381%0.806SS**  trans-128157.9166.900000110.7
472L38.8Very low35.5Very low162 Ų162137.1 Ų137.185%0.84880%0.796SS**  trans-57.1134.5-173.9-65.9156000111.6
473L35.3Very low35.3Very low148 Ų148141.6 Ų141.678%0.77580%0.799SS**  55108.773.9-107.3172.7000114.3
474K40.4Very low34.9Very low161 Ų161140.2 Ų140.270%0.779%0.79SS**  trans66.557.5142.4-157-162.2176-162.60118.1
475E36.7Very low34.8Very low190 Ų190140.8 Ų140.889%0.88878%0.784SS**SBendtrans-133.528.3164.7-147.2175.2176.800114.3
476L39Very low34.6Very low172 Ų172139.9 Ų139.990%0.90178%0.78SS**SBendtrans-1218.7168.7-94.9172.6000113.7
477L33.9Very low34.7Very low136 Ų136137.2 Ų137.271%0.71278%0.777SS**SBendtrans-138.794.6170.8-73.6176.6000109.6
478T34Very low34.5Very low136 Ų136140.2 Ų140.283%0.83478%0.781SS**  trans34.5108.314957.90000117.4
479S32.5Very low35Very low99 Ų99139.4 Ų139.469%0.69277%0.774SS**  trans-122.2125.7152.1-61.40000108.2
480D26.9Very low34.3Very low164 Ų164137.7 Ų137.788%0.87777%0.765SS**  trans-138.4137.2164.1-174.4-107.3000106.1
481T35Very low34.1Very low113 Ų113138.2 Ų138.269%0.69376%0.757SS**  trans-148.9116.5-167.3-56.90000111.1
482D31Very low33.9Very low118 Ų118140.7 Ų140.763%0.63175%0.753SS**  trans34.7124.9153.2-73.4-94.1000122.9
483Q32Very low33.8Very low163 Ų163138.5 Ų138.576%0.76275%0.746SS**  trans59.6125.9134.4-55.5177.355.400118
484H29Very low33.9Very low161 Ų161137.9 Ų137.975%0.74575%0.748SS**  170.9166.667-174.2-98.9000110.4
485S27.6Very low33.6Very low76 Ų76136.8 Ų136.853%0.53176%0.755SS.*  trans59.9113.5160.638.70000122.2
486E27.8Very low33.6Very low167 Ų167131.9 Ų131.978%0.7874%0.741SS**  82.3153.2126-63.3-173.894.600123.4
487M31.3Very low33.3Very low167 Ų167132 Ų13282%0.82374%0.737SS**  trans83.4102.4159.1-43.3-151.9-178.200119.9
488M30.5Very low33.4Very low176 Ų176131.6 Ų131.687%0.86775%0.745SS**  trans-65.3175.9152.5-73.2-102.1-73.500111.7
489P54.4Low33.3Very low103 Ų103131.1 Ų131.167%0.66975%0.748SS**  cis-133.4-168.6-0.429.1-5.7000114.7
490S29.8Very low33.4Very low94 Ų94130.1 Ų130.166%0.65775%0.753SS**  116.8104.7125.4-1420000119.4
491V35.1Very low33.7Very low123 Ų123127.9 Ų127.975%0.74575%0.75SS**  trans57.4156.3133.3-49.20000121.5
492D30.4Very low33.6Very low126 Ų126127.4 Ų127.467%0.67475%0.751SS**  cis-148.7170.23.8-140.9-52.4000113.1
493T37.4Very low33.7Very low116 Ų116130.2 Ų130.271%0.71276%0.762SS**  trans7.9139.2158.331.10000120.2
494V36.4Very low33.7Very low135 Ų135130 Ų13082%0.81877%0.766SS**  cis-132-170.140.4-73.10000111.8
495V35.8Very low34.5Very low138 Ų138127.8 Ų127.884%0.83677%0.765SS**  cis-156.5-175.619.375.80000113.1
496S35Very low35.1Very low86 Ų86129.7 Ų129.760%0.60178%0.776SS**  trans-109.2163.7179.5-81.30000112.1
497Q34.6Very low35.1Very low176 Ų176132.5 Ų132.582%0.82278%0.781SS**  cis-165.3148.2-5.9-117.3168.576.300110.7
498S34.1Very low35Very low126 Ų126128.8 Ų128.888%0.88177%0.771SS**  trans-169.1152.8132.749.30000109.2
499S32.8Very low35Very low126 Ų126125.6 Ų125.688%0.88177%0.766SS**  trans-116140.9-162.344.80000114.1
500G34Very low33.9Very low79 Ų79125.1 Ų125.181%0.81477%0.765SS**  trans-173.172.4-176.100000113.8
501S33.3Very low34Very low116 Ų116128.3 Ų128.381%0.81177%0.77SS**  trans-54.4153.8173.1-63.30000113.4
502C33Very low33.9Very low104 Ų104130.8 Ų130.870%0.70377%0.773SS**  cis-157.6142.113.8-127.20000113.6
503M33Very low33.9Very low177 Ų177128.8 Ų128.887%0.87277%0.774SS**  trans52.1129.5146.8-52.8-50.516900124.4
504L33.1Very low33.8Very low159 Ų159129.4 Ų129.483%0.83278%0.777SS**  trans-83.1-170.5157.4-63.1172.2000109.8
505P44.6Very low33.7Very low113 Ų113131.7 Ų131.773%0.73478%0.776SS**  cis-134.91760.543.2-26.3000116.1
506P40.8Very low33.6Very low116 Ų116132.5 Ų132.575%0.75378%0.775SS**  trans-83.4148.5164.834.3-34000112.5
507Y28.7Very low33.6Very low226 Ų226136.7 Ų136.789%0.88679%0.787SS**  trans-141.9173.5160.2-151.1-102.3000111.5
508S29Very low33.5Very low89 Ų89133.3 Ų133.362%0.62279%0.789SS**  trans-94.8175.1-159.265.30000115.8
509S30.7Very low33.3Very low109 Ų109131.3 Ų131.376%0.76279%0.789SS**  trans116.7115.7141.7-155.90000118.4
510S31.1Very low33.3Very low93 Ų93128.7 Ų128.765%0.6578%0.781SS**  trans32.6110.2136.1-137.10000122.4
511Q31.8Very low33.2Very low161 Ų161131.2 Ų131.275%0.75279%0.786SS**  43.7137.9122.4-56.8-174.6-6.300122.9
512H32Very low33.1Very low176 Ų176130.3 Ų130.382%0.81579%0.786SS**  trans70.3150.6163-63.6-65.8000117
513A31.7Very low33.2Very low83 Ų83134.2 Ų134.269%0.68679%0.793SS**  cis-134.8-176.8-0.500000109.1
514V35.3Very low34.4Very low130 Ų130129.8 Ų129.879%0.78878%0.778SS**  cis-153.6-165.735.8-73.50000108.7
515K32.6Very low34.4Very low183 Ų183131.2 Ų131.280%0.79678%0.78SS**  cis-160.9-173.28.1-147.1168.5-175.5175.40110
516L33.9Very low33.7Very low154 Ų154129.1 Ų129.181%0.80678%0.779SS**  trans76.8136171.2-55.8180000117
517M35.1Very low33.4Very low175 Ų175132.2 Ų132.286%0.86279%0.788SS**  cis-177.3110.5-30.3-114.3-77.6-78.200108.5
518A32.8Very low33.4Very low104 Ų104125.6 Ų125.686%0.8678%0.775SS**  trans-175.8152.9159.600000110.6
519G30.9Very low33.6Very low85 Ų85129.1 Ų129.188%0.87678%0.781SS**  trans-85.9-172.8-174.900000115.5
520G31.8Very low34.9Very low70 Ų70129.5 Ų129.572%0.72278%0.781SS**  cis166.7159.5-3.400000112.9
521S32.3Very low35.2Very low132 Ų132133.1 Ų133.192%0.92379%0.787SS**  trans64.6144.3179.2-69.80000116.7
522A31.7Very low35Very low97 Ų97133.1 Ų133.180%0.80279%0.793SS**  cis-152.8-179.7-9.900000111.3
523H34.4Very low35.2Very low186 Ų186130.1 Ų130.186%0.86179%0.786SS**  trans-119-174.8-167.5-98.3-49.9000111
524P58.1Low35.4Very low85 Ų85134.7 Ų134.755%0.55279%0.793SS**  cis-143.3-176.5-25.133.5-11.6000116.3
525H34.2Very low35.4Very low189 Ų189132.5 Ų132.588%0.87578%0.783SS**  trans63.5152.8156.6-49.8-45.9000119.8
526G29.8Very low35.3Very low69 Ų69133.2 Ų133.271%0.71179%0.789SS**  cis146.6142.3-9.700000113.5
527L32.8Very low35.2Very low181 Ų181129.3 Ų129.395%0.94879%0.787SS**  trans-179.6171.5159.7-103.7163.4000112.1
528S29.7Very low35.2Very low86 Ų86130.6 Ų130.660%0.60179%0.791SS**  trans-161.7162.6-163.568.90000117.3
529H33.6Very low35.2Very low164 Ų164130.4 Ų130.476%0.75979%0.789SS**  trans69.9168.8156.1-71113.6000118.9
530P57.1Low35.3Very low117 Ų117131.3 Ų131.376%0.7679%0.788SS**  cis-133.9-173.4-15.623.81.5000116.7
531H36.7Very low35.5Very low169 Ų169133.3 Ų133.378%0.78279%0.791SS**  trans-53.3166.8174.8-56.8-100.8000119.9
532N28.4Very low36.4Very low161 Ų161133.3 Ų133.386%0.86179%0.788SS**  -152.2169.9128.4-150.6-8.9000113.1
533V36.7Very low36.6Very low112 Ų112132.9 Ų132.968%0.67979%0.785SS**  trans-149.9138.6-166.1-173.40000113.5
534H35.3Very low36.7Very low180 Ų180131.7 Ų131.783%0.83378%0.782SS**  trans175.9160.5156-104.458.8000110
535S34.6Very low35.7Very low83 Ų83134.8 Ų134.858%0.5879%0.793SS**  cis-179.8161.2-21.554.50000112.3
536Q32.2Very low35.4Very low198 Ų198129.5 Ų129.593%0.92579%0.79SS**  trans67.9152.3165.1-98167.6-2.300118.2
537G31.7Very low35.6Very low73 Ų73137.7 Ų137.775%0.75380%0.799SS**  cis-161.3-175.5100000113.1
538Q33.5Very low36.3Very low201 Ų201136.9 Ų136.994%0.93980%0.795SS**  trans-94.5159.4-165.2-58.7169.7-30.200116.4
539A33.5Very low36.5Very low100 Ų100140.6 Ų140.683%0.82681%0.807SS**  -179.6135.5124.200000116.4
540A34Very low36.3Very low104 Ų104140.3 Ų140.386%0.8681%0.808SS**  trans36.9141.7146.600000125.4
541S34.2Very low34.9Very low113 Ų113139.1 Ų139.179%0.7980%0.803SS**  trans-87.3172.4167-41.10000113.2
542P52.9Low34.9Very low132 Ų132138.5 Ų138.586%0.85780%0.804SS**  -144.4-17495.939.6-24.2000115.3
543A35.8Very low34.9Very low88 Ų88135.9 Ų135.973%0.72780%0.799SS**  trans-94.5-168-178.900000112.1
544M36.3Very low34.6Very low161 Ų161140.8 Ų140.879%0.79381%0.806SS**  cis-163.8165.79.4-149.2-176.7-16300110.6
545N36.6Very low34.4Very low149 Ų149138.3 Ų138.380%0.79780%0.8SS**  trans34.1134.5150.2-74.9-30000122.8
546G27.8Very low34.3Very low78 Ų78137.9 Ų137.980%0.80481%0.808SS**  trans-165.1150.3161.100000113.5
547R33.8Very low34.3Very low242 Ų242132.5 Ų132.591%0.91381%0.806SS**  trans-126150.5-179.1-79.7-175.3173.1-175.4-1.1113.1
548L47.5Very low34.3Very low163 Ų163132.8 Ų132.885%0.85381%0.809SS**  trans-4.7127.8153.5-59.4166.2000117.9
549L33.8Very low34.3Very low165 Ų165127.9 Ų127.986%0.86480%0.802SS**  trans-152.6166.1146.9-89.3-165.5000112.9
550M29.1Very low34.3Very low157 Ų157134.7 Ų134.777%0.77381%0.807SS**  trans-16.2147.3170.5-64.2-61.9102.600119.2
551S28.5Very low34.4Very low92 Ų92137.8 Ų137.864%0.64381%0.808SS**  cis105.1127.627-170.80000114.3
552L35.6Very low34.9Very low156 Ų156138.3 Ų138.382%0.81781%0.809SS**  trans76.2138.4159.2-113.773.8000122.6
553S29Very low34Very low106 Ų106137.7 Ų137.774%0.74180%0.802SS**  trans79113.7151.6-53.90000120.4
554Y31.5Very low33.7Very low215 Ų215140 Ų14084%0.84381%0.807SS**  -156.7141.8103.3-157.6-117000114.6
555N31.4Very low33.5Very low129 Ų129141.4 Ų141.469%0.6981%0.809SS**  trans-9152.7159.2-157.212.4000121.6
556G31.1Very low33.6Very low73 Ų73139.7 Ų139.775%0.75381%0.809SS**  trans147.598.4159.100000116.5
557G32.2Very low34.8Very low86 Ų86141.9 Ų141.989%0.88781%0.809SS**  trans-97.3150.7164.200000111.6
558G32Very low34.8Very low79 Ų79138 Ų13881%0.81480%0.803SS**  trans-162.6-6.5-169.400000121.8
559A33Very low34.2Very low97 Ų97137.2 Ų137.280%0.80280%0.795SS**  trans66.7163.3167.400000121
560R34.5Very low34.4Very low244 Ų244137.2 Ų137.292%0.92179%0.793SS**  trans77.1102.6163.9-54.5-161.6-179.1-112.4-2.5119.7
561L35Very low36.1Very low169 Ų169133.7 Ų133.789%0.88578%0.781SS**  trans-84.8149.9159-64.1165.2000111.3
562P45.7Very low36.4Very low124 Ų124140.2 Ų140.281%0.80579%0.793SS**  trans-98.3168.3158.636.4-30.8000112.8
563V32.9Very low36.1Very low119 Ų119136.4 Ų136.472%0.72179%0.792SS**  trans-129.5135.2-176.3167.40000111K565V563-K565 HydrophobicContact CG1-CG 4.44Å
564T30.6Very low36.7Very low135 Ų135139.5 Ų139.583%0.82880%0.799SS**  trans-169.6135.1145.832.20000108.1
565K32Very low37.8Very low191 Ų191134.9 Ų134.983%0.8380%0.796SS**  cis86.7126.337.4-72.5-166.9172.2-174.60115.7V563V563-K565 HydrophobicContact CG1-CG 4.44Å
566S38Very low38Very low114 Ų114132.4 Ų132.480%0.79780%0.801SS**  trans-158.7175.316958.20000106.5
567P53.3Low38.4Very low124 Ų124137.2 Ų137.281%0.80580%0.804SS**  cis-127.6-115.44.640.2-19.5000113
568M33.8Very low38.7Very low159 Ų159140 Ų14078%0.78380%0.797SS**  trans-155.7162.2-155.6-86.5-175.4162.800111.3
569Q35.4Very low38.6Very low148 Ų148140 Ų14069%0.69280%0.797SS**  cis-174.8121.6-13.6170.4178.3-96.500112
570M37.4Very low38.6Very low165 Ų165139.6 Ų139.681%0.81380%0.802SS**  trans68.7166.7152.1-65.4-70.7-93.900120.4
571P65.7Low38.5Very low82 Ų82132.1 Ų132.153%0.53280%0.801SS.*  cis-134.4177.9-18.821.82.7000116.9
572Y34.5Very low38.3Very low229 Ų229127.4 Ų127.490%0.89879%0.793SS**  trans74.9139.3167.9-50-71.3000117.4
573G30.1Very low37.8Very low77 Ų77130.4 Ų130.479%0.79480%0.799SS**  cis-161.6177.9-0.800000114.1
574L40.4Very low38.5Very low170 Ų170130.8 Ų130.889%0.8980%0.804SS**  trans-84-179.4-171.2-82.8163.7000115.2
575P55.3Low38.4Very low118 Ų118128.1 Ų128.177%0.76680%0.804SS**  cis-139.3163.9-1.533.1-11.6000119.5
576G36.1Very low38.8Very low78 Ų78124.1 Ų124.180%0.80480%0.8SS**  trans78.2158.7147.700000120
577H38.2Very low38.4Very low174 Ų174128.4 Ų128.481%0.80680%0.804SS**  cis-159.9165.3-11.5-179.7-95.8000110.8
578L38.6Very low37.6Very low144 Ų144128.2 Ų128.275%0.75480%0.804SS**  trans-41.5152.7-178.4-49.1173.8000116.8
579G30.2Very low38.3Very low79 Ų79126.4 Ų126.481%0.81481%0.805SS**  cis99.8125.2-4.200000116.2
580G33.3Very low38.1Very low88 Ų88127.6 Ų127.691%0.90782%0.815SS**  cis164.8135-10.900000114.6
581G32.5Very low37.7Very low87 Ų87125.9 Ų125.990%0.89781%0.809SS**  trans151.4159.517800000112.1
582G31Very low36Very low70 Ų70128.6 Ų128.672%0.72282%0.824SS**  cis178.8172.7-6.100000112.9
583M35.4Very low35.9Very low187 Ų187125.2 Ų125.292%0.92182%0.822SS**  trans72.6134.3173.4-54.7-57.7163.100119.9
584P46.2Very low35.8Very low127 Ų127124.4 Ų124.483%0.82581%0.813SS**  trans-102.7157.4175.539-33.4000114.3
585G30.1Very low35.4Very low80 Ų80128.3 Ų128.383%0.82582%0.818SS**  trans-113155.917300000113.5
586S38.5Very low34.3Very low107 Ų107126.5 Ų126.575%0.74882%0.82SS**  trans-81.1149.7177.6179.70000112.6
587F30.7Very low34.1Very low203 Ų203134.5 Ų134.589%0.8983%0.826SS**  trans-166.2146.1143.7-94.9-60.4000112.6
588C36.2Very low33.8Very low120 Ų120132.8 Ų132.881%0.81183%0.828SS**  trans-135.8141.1165-65.40000109.8
589P49.2Very low33.5Very low121 Ų121128.8 Ų128.879%0.78682%0.821SS**  -139.7175.3127.841-29.1000111.3
590L31.2Very low33.6Very low173 Ų173134.1 Ų134.191%0.90683%0.827SS**  cis-135.7-141.2-1.2-161.255.3000109.2
591N28.8Very low33.5Very low130 Ų130135.3 Ų135.370%0.69582%0.822SS**  trans-159.8142.7179-178.724.6000111.8
592T29.2Very low33.7Very low138 Ų138137.4 Ų137.485%0.84782%0.816SS**  trans-157.3145.91596.70000112.2
593N32.5Very low34Very low158 Ų158140.1 Ų140.185%0.84582%0.821SS**  trans-68.2162.5177.6-65.8-14.3000112.6
594G28.7Very low33.8Very low60 Ų60136.6 Ų136.662%0.61982%0.815SS**  cis168.7-172.7-1.500000112.6
595Y31.9Very low33Very low253 Ų253138.3 Ų138.399%0.99281%0.812SS**  trans71.5106.4-174.7-58.3-82.2000116.8
596G31Very low33.1Very low79 Ų79142.8 Ų142.881%0.81481%0.813SS**  trans168.3130.5171.400000112.5
597R33.5Very low32.8Very low247 Ų247145.4 Ų145.493%0.93281%0.814SS**  trans-67142.8-171.6-79.7-176.4177.7-92.34.9114.8
598V31.7Very low33.2Very low138 Ų138145.5 Ų145.584%0.83681%0.814SS**  trans-71.8139.7145.9-179.10000108.1
599G31.6Very low33.3Very low59 Ų59146.7 Ų146.761%0.60881%0.811SS**  cis123.8119.44.100000111.3
600M32.8Very low32.9Very low192 Ų192146.3 Ų146.395%0.94681%0.809SS**  trans-153.9122.2166-84.1-130.874.200109.8
601S31.3Very low33.6Very low113 Ų113143 Ų14379%0.7980%0.8SS**  trans-103.3157.1-178.546.70000112.8
602V36.5Very low34.5Very low130 Ų130144 Ų14479%0.78881%0.806SS**  trans-77.4142.3-178.5-177.90000110.8S604V602-S604 PolarHBondContact O-N 3.32Å
603P37.8Very low35.5Very low127 Ų127144.2 Ų144.283%0.82580%0.801SS**  trans-72.6114.3173.6-11.827.6000111.2
604S31.4Very low36.1Very low114 Ų114143.5 Ų143.580%0.79780%0.797SS**  trans-90.9130.5173.148.40000111.4V602V602-S604 PolarHBondContact O-N 3.32Å
605H29.4Very low37.1Very low162 Ų162148.8 Ų148.875%0.7581%0.811SS**  trans-113113.3168.8-177.2-87.2000108.7
606M31.5Very low37.6Very low174 Ų174143.9 Ų143.986%0.85780%0.799SS**  trans-90.9106.6-178.1-61.3-149.782.800111.4
607E31.9Very low38Very low162 Ų162144.1 Ų144.176%0.75779%0.788SS**  trans-95.4144154.7-64.4-160.9123.200109.6L609E607-L609 PolarHBondContact O-N 3.44Å
608K38.6Very low38.8Very low205 Ų205139.8 Ų139.889%0.89178%0.782SS**  trans-81.4110.1-166.8-162.879.7172.2177.50110.8
609L38.1Very low39.7Very low145 Ų145141.1 Ų141.176%0.75978%0.779SS**  trans-88.9161.1170.3-67176.8000111.7E607E607-L609 PolarHBondContact O-N 3.44Å
610P40.8Very low40.7Very low114 Ų114147.2 Ų147.274%0.7479%0.789SS**  trans-69.5141.6175.5-16.531.9000112.5D612P610-D612 PolarHBondContact O-N 3.38Å; P610-D612 VanDerWaalsContact O-N 3.15Å
611S46.2Very low41.4Very low103 Ų103145.7 Ų145.772%0.7278%0.777SS**SBendtrans-85.974.3-174.6-58.30000112.7
612D47.4Very low42.2Very low150 Ų150149 Ų14980%0.80278%0.78SS**SBendtrans-147.626.4-178.8-159.732.9000113P610P610-D612 PolarHBondContact O-N 3.38Å; P610-D612 VanDerWaalsContact O-N 3.15Å
613L51.8Low43Very low143 Ų143148.9 Ų148.975%0.74977%0.774SS**  trans-142.98.6-178.6-78.1179000114.6D615L613-D615 VanDerWaalsContact C-N 3.29Å; L613-D615 PolarHBondContact O-N 3.13Å
614D44.8Very low43.7Very low143 Ų143146.9 Ų146.977%0.76576%0.756SS**THydrogen-bonded Turntrans-75.4-12.1-172.3-63.1-67.5000114.2
615D48.7Very low45Very low171 Ų171146.1 Ų146.191%0.91475%0.746SS**THydrogen-bonded Turntrans-100.821.2-178.4-79.8-41.8000114.9L613L613-D615 VanDerWaalsContact C-N 3.29Å; L613-D615 PolarHBondContact O-N 3.13Å
616M43.4Very low46.3Very low151 Ų151145.6 Ų145.674%0.74475%0.745SS**  trans-102.590.1171.9-78.4-91-75.900110.5
617S39.9Very low47.7Very low83 Ų83144.5 Ų144.558%0.5873%0.731SS**  trans-62.3142.6179.460.30000112.5E619S617-E619 PolarHBondContact O-N 3.27Å; S617-E619 VanDerWaalsContact O-N 3.12Å
618I50.2Low49Very low156 Ų156140.9 Ų140.980%0.872%0.719SS**G310 helixtrans-77.22.2-168.2-157.6159.9000114.4K620I618-K620 VanDerWaalsContact C-N 3.26Å; I618-K620 PolarHBondContact O-N 3.09Å
619E49.8Very low50Low166 Ų166135.7 Ų135.778%0.77670%0.701SS**G310 helixtrans-77.6-7.6178.6-64.8173.5138.300113.1S617S617-E619 PolarHBondContact O-N 3.27Å; S617-E619 VanDerWaalsContact O-N 3.12Å
620K52Low50.7Low187 Ų187134.9 Ų134.981%0.81369%0.693SS**G310 helixtrans-99.731.2-179.4-149.8176.2-177.7174.40114.8I618I618-K620 VanDerWaalsContact C-N 3.26Å; I618-K620 PolarHBondContact O-N 3.09Å
621F47.6Very low51.3Low161 Ų161135.3 Ų135.371%0.70669%0.685SS**G310 helixtrans-125.814.8171.9-89.6-71000114.5I623F621-I623 PolarHBondContact O-N 2.89Å
622E49Very low51.8Low182 Ų182136 Ų13685%0.8569%0.685SS**  trans-68.387.1154.4-67.4-169.214900108.5D624E622-D624 PolarHBondContact O-N 3.32Å
623I52.1Low52.2Low127 Ų127135.5 Ų135.565%0.65168%0.682SS**  trans-67.5113.4163.7-70.4176.7000106.3F621 V625F621-I623 PolarHBondContact O-N 2.89Å; I623-V625 WeakPolarHBondContact O-CG2 3.44Å; I623-V625 PolarHBondContact O-N 3.27Å
624D53.6Low52.5Low85 Ų85135.2 Ų135.246%0.45568%0.678SS.*  trans-6589.1-172.6-171-6.7000111.4E622 E626 R627 V628E622-D624 PolarHBondContact O-N 3.32Å; D624-E626 VanDerWaalsContact C-N 3.27Å; D624-E626 PolarHBondContact O-N 3.46Å; D624-E626 WeakPolarHBondContact OD1-CB 3.45Å; D624-E626 PolarHBondContact OD1-N 3.09Å; D624-R627 HydrophobicContact CB-CB 3.92Å; D624-R627 VanDerWaalsContact CG-CB 3.42Å; D624-R627 WeakPolarHBondContact O-CB 3.41Å; D624-R627 PolarHBondContact O-N 3.05Å; D624-R627 PolarHBondContact OD1-N 3.18Å; D624-R627 VanDerWaalsContact OD1-N 3.12Å; D624-R627 WeakPolarHBondContact OD2-CB 3.38Å; D624-V628 PolarHBondContact O-N 3.29Å
625V59.1Low52.6Low98 Ų98135.1 Ų135.159%0.59468%0.678SS**Hα-helixtrans-65.7-32.7-178.9-179.80000111I623 R627 V628 L629I623-V625 WeakPolarHBondContact O-CG2 3.44Å; I623-V625 PolarHBondContact O-N 3.27Å; V625-R627 VanDerWaalsContact C-N 3.32Å; V625-R627 PolarHBondContact O-N 3.15Å; V625-V628 PolarHBondContact O-N 3.16Å; V625-L629 HydrophobicContact CG1-CD1 4.1Å; V625-L629 HydrophobicContact CG1-CG 4.48Å; V625-L629 WeakPolarHBondContact O-CG 3.43Å; V625-L629 PolarHBondContact O-N 3.04Å
626E56.5Low52.7Low152 Ų152130.6 Ų130.671%0.7167%0.672SS**Hα-helixtrans-56.5-48.1171.3-68.7-77.9130.900109.9D624 V628 L629 H630D624-E626 VanDerWaalsContact C-N 3.27Å; D624-E626 PolarHBondContact O-N 3.46Å; D624-E626 WeakPolarHBondContact OD1-CB 3.45Å; D624-E626 PolarHBondContact OD1-N 3.09Å; E626-V628 PolarHBondContact O-N 3.45Å; E626-L629 PolarHBondContact O-N 3.28Å; E626-H630 VanDerWaalsContact O-CB 3.3Å; E626-H630 WeakPolarHBondContact O-CB 3.41Å; E626-H630 PolarHBondContact O-N 3.33Å
627R60.8Low52.7Low151 Ų151130.9 Ų130.957%0.5768%0.676SS**Hα-helixtrans-64.3-38.5178.3-171.5177.3-168.4131.66.4113.9D624 V625 L629 H630 E631D624-R627 HydrophobicContact CB-CB 3.92Å; D624-R627 VanDerWaalsContact CG-CB 3.42Å; D624-R627 WeakPolarHBondContact O-CB 3.41Å; D624-R627 PolarHBondContact O-N 3.05Å; D624-R627 PolarHBondContact OD1-N 3.18Å; D624-R627 VanDerWaalsContact OD1-N 3.12Å; D624-R627 WeakPolarHBondContact OD2-CB 3.38Å; V625-R627 VanDerWaalsContact C-N 3.32Å; V625-R627 PolarHBondContact O-N 3.15Å; R627-L629 VanDerWaalsContact C-N 3.35Å; R627-H630 PolarHBondContact O-N 3.31Å; R627-E631 IonicContact NE-OE1 3.56Å; R627-E631 PolarHBondContact O-N 3.39Å
628V59.3Low53Low85 Ų85132.2 Ų132.252%0.51569%0.686SS.*Hα-helixtrans-65.3-40.1175.4176.80000111D624 V625 E626 T632D624-V628 PolarHBondContact O-N 3.29Å; V625-V628 PolarHBondContact O-N 3.16Å; E626-V628 PolarHBondContact O-N 3.45Å; V628-T632 WeakPolarHBondContact O-CB 3.4Å; V628-T632 PolarHBondContact O-N 2.91Å; V628-T632 PolarHBondContact O-OG1 3.46Å
629L58Low52.9Low97 Ų97131.8 Ų131.851%0.50868%0.684SS.*Hα-helixtrans-65.1-42.1172.8-72.2166.2000111.2V625 E626 R627 T632 L633V625-L629 HydrophobicContact CG1-CD1 4.1Å; V625-L629 HydrophobicContact CG1-CG 4.48Å; V625-L629 WeakPolarHBondContact O-CG 3.43Å; V625-L629 PolarHBondContact O-N 3.04Å; E626-L629 PolarHBondContact O-N 3.28Å; R627-L629 VanDerWaalsContact C-N 3.35Å; L629-T632 PolarHBondContact O-N 3.36Å; L629-L633 WeakPolarHBondContact O-CB 3.4Å; L629-L633 PolarHBondContact O-N 2.93Å
630H54.5Low52.3Low127 Ų127130.3 Ų130.359%0.58868%0.681SS**Hα-helixtrans-74.1-30.8-175.8-156.4-49.8000113.8E626 R627E626-H630 VanDerWaalsContact O-CB 3.3Å; E626-H630 WeakPolarHBondContact O-CB 3.41Å; E626-H630 PolarHBondContact O-N 3.33Å; R627-H630 PolarHBondContact O-N 3.31Å
631E53.6Low51.7Low123 Ų123129.3 Ų129.358%0.57568%0.677SS**Hα-helixtrans-77.5-27170.2-77.3-179.1-171.100112.4R627R627-E631 IonicContact NE-OE1 3.56Å; R627-E631 PolarHBondContact O-N 3.39Å
632T56.5Low51.1Low117 Ų117127.5 Ų127.572%0.71868%0.675SS**Hα-helixtrans-93.2-15.1-176.1-42.20000114V628 L629V628-T632 WeakPolarHBondContact O-CB 3.4Å; V628-T632 PolarHBondContact O-N 2.91Å; V628-T632 PolarHBondContact O-OG1 3.46Å; L629-T632 PolarHBondContact O-N 3.36Å
633L55Low50.5Low141 Ų141127.7 Ų127.774%0.73867%0.673SS**Hα-helixtrans-122.4-8.9-169.2-165.757.3000115.4L629L629-L633 WeakPolarHBondContact O-CB 3.4Å; L629-L633 PolarHBondContact O-N 2.93Å
634M58.5Low49.6Very low136 Ų136129 Ų12967%0.6768%0.676SS**SBendtrans-109.2-13.8-179.4-92.2-77.215800115.3G636M634-G636 PolarHBondContact O-N 2.9Å
635D47.2Very low48.9Very low142 Ų142130.3 Ų130.376%0.75969%0.69SS**  trans-78.269173.5-75.3-12.9000110.8D637D635-D637 VanDerWaalsContact C-N 3.26Å; D635-D637 PolarHBondContact O-N 3.37Å
636G51Low47.9Very low76 Ų76131.4 Ų131.478%0.78470%0.696SS**  trans-76.662.5-178.500000114M634 S638M634-G636 PolarHBondContact O-N 2.9Å; G636-S638 PolarHBondContact O-N 2.95Å
637D42.6Very low46.9Very low157 Ų157130 Ų13084%0.8470%0.698SS**  trans-75.2121.9174.7-116.2-28.3000111.5D635 L639D635-D637 VanDerWaalsContact C-N 3.26Å; D635-D637 PolarHBondContact O-N 3.37Å; D637-L639 PolarHBondContact O-N 3.41Å
638S45.5Very low45.6Very low111 Ų111128.8 Ų128.878%0.77671%0.708SS**  trans-79.190.4-168.8177.90000112.8G636 D640G636-S638 PolarHBondContact O-N 2.95Å; S638-D640 PolarHBondContact O-N 3.37Å
639L48.2Very low44.3Very low147 Ų147132.7 Ų132.777%0.7772%0.72SS**  trans-7289.4170.1-67.8179.8000111.9D637 F641D637-L639 PolarHBondContact O-N 3.41Å; L639-F641 HydrophobicContact CB-CD2 4.48Å; L639-F641 HydrophobicContact CB-CE2 4.27Å; L639-F641 PolarHBondContact O-N 3.29Å
640D36.6Very low43.1Very low134 Ų134137.2 Ų137.272%0.71774%0.739SS**  trans-66.4111.6174.2-177.211.5000111.7S638 N642S638-D640 PolarHBondContact O-N 3.37Å; D640-N642 PolarHBondContact OD1-N 3.45Å
641F40.4Very low41.8Very low166 Ų166134.8 Ų134.873%0.72875%0.749SS**  trans-101.461.9176.5-89-81.9000111.7L639 F643L639-F641 HydrophobicContact CB-CD2 4.48Å; L639-F641 HydrophobicContact CB-CE2 4.27Å; L639-F641 PolarHBondContact O-N 3.29Å; F641-F643 PolarHBondContact O-N 3.48Å
642N34.8Very low40.9Very low123 Ų123138.7 Ų138.766%0.65876%0.764SS**  trans-63.1121.4170.5-175.97.9000111.5D640D640-N642 PolarHBondContact OD1-N 3.45Å
643F37Very low40.3Very low186 Ų186137.9 Ų137.982%0.81676%0.761SS**  trans-119.882.4174.2-104.9-80.9000110.4F641F641-F643 PolarHBondContact O-N 3.48Å
644E32.8Very low39.4Very low154 Ų154139.7 Ų139.772%0.7277%0.765SS**  trans-81.5130172.2-161.6178.9-129.600110.8V646E644-V646 PolarHBondContact O-N 2.99Å
645P40Very low38.1Very low114 Ų114136.5 Ų136.574%0.7477%0.767SS**  trans-81.287.8-174.731.9-35.6000112.2V647P645-V647 PolarHBondContact O-N 3.2Å
646V36.1Very low37.5Very low120 Ų120136.6 Ų136.673%0.72777%0.772SS**  trans-67.9103.9176.5-179.10000111.3E644 T648E644-V646 PolarHBondContact O-N 2.99Å; V646-T648 HydrophobicContact CG1-CG2 4.29Å
647V36.8Very low36.9Very low122 Ų122142 Ų14274%0.73977%0.774SS**  trans-85.2120.6171.2175.30000110.2P645P645-V647 PolarHBondContact O-N 3.2Å
648T32.6Very low36.7Very low127 Ų127141 Ų14178%0.77977%0.774SS**  trans-124.9116.816552.70000110.7V646V646-T648 HydrophobicContact CG1-CG2 4.29Å
649Q33.3Very low36.1Very low166 Ų166140.5 Ų140.578%0.77677%0.766SS**  trans-87.8173.9171.3-67.9-170.4-200111.9
650Q31.8Very low35.7Very low192 Ų192140 Ų14090%0.89777%0.769SS**  trans77.3129.8173.5-48179.21.800114.7
651G28.7Very low35.9Very low77 Ų77140.4 Ų140.479%0.79477%0.767SS**  cis-168.9156.5-4.700000113.6
652F34.5Very low35.9Very low205 Ų205137.2 Ų137.290%0.89977%0.765SS**  trans-68.7172.9-179.8-80.1-84.7000113.9
653P43.9Very low36Very low100 Ų100142.6 Ų142.665%0.64978%0.777SS**  cis-128.7172.217.929.1-5000115.1
654H34.6Very low36.3Very low178 Ų178139 Ų13982%0.82477%0.769SS**  cis-149.9168.738.4-60.767.5000109.4
655G32Very low36.8Very low69 Ų69137.7 Ų137.771%0.71178%0.777SS**  cis153.756.40.800000112.3
656V34.9Very low36.6Very low144 Ų144138.8 Ų138.887%0.87381%0.81SS**  trans-84.4122.6-179.9179.70000110.5
657K37.6Very low36.7Very low189 Ų189139.8 Ų139.882%0.82281%0.814SS**  trans-87.3110.9176.5-65.5179.7179.3-179.60110.8T659K657-T659 PolarHBondContact O-N 3.32Å; K657-T659 VanDerWaalsContact O-N 3.16Å
658T38.5Very low36.7Very low137 Ų137140.7 Ų140.784%0.8482%0.818SS**  trans-73.196.9159.349.20000108.5
659T33.6Very low36.9Very low100 Ų100141.4 Ų141.461%0.61382%0.82SS**  trans-94.8110.1-178.4-156.90000110.7K657 H661K657-T659 PolarHBondContact O-N 3.32Å; K657-T659 VanDerWaalsContact O-N 3.16Å; T659-H661 PolarHBondContact OG1-NE2 2.98Å
660T40Very low37.1Very low136 Ų136140 Ų14083%0.83482%0.822SS**  trans-76.3120170.519.30000109.5
661H41Very low37.4Very low143 Ų143136.8 Ų136.866%0.66282%0.818SS**  trans-128.6118.4166-71.1-61.3000110.3T659T659-H661 PolarHBondContact OG1-NE2 2.98Å
662S38.8Very low38Very low99 Ų99140.7 Ų140.769%0.69282%0.819SS**  trans-74.6146.7168.2179.10000110
663W38.1Very low38.3Very low237 Ų237136.1 Ų136.190%0.89881%0.814SS**  trans-132.6102.6156.5-74.6104000108.9
664V43.8Very low37.8Very low109 Ų109138.9 Ų138.966%0.66183%0.826SS**  trans-118.2133.9160.8168.90000107
665S42.7Very low38.1Very low127 Ų127135.7 Ų135.789%0.88883%0.826SS**  trans-121.8113.4156.5-69.30000105.9
666G36.5Very low38.7Very low138 Ų138141.7 Ų141.7100%1.42384%0.837SS**  trans146.80-165.800000109.6

Retrieved 666 of 666 residues in 165.1 ms (Link to these results)