A0A087YNB0_POEFO Loading...

MYCN proto-oncogene, bHLH transcription factor

AlphaFold DB , UniProt , Accession A0A087YNB0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 471 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42Very low43Very low237 Ų237146.9 Ų146.9100%1.16783%0.826SS**  0105.20-74.2-59162.400108.1
2P42.4Very low43.6Very low122 Ų122149.3 Ų149.379%0.79283%0.826SS**  trans-88.1134.2-176.933.5-30.9000111.5
3A38Very low43.3Very low101 Ų101151.5 Ų151.584%0.83582%0.823SS**  trans-118.2112.5159.200000107
4I48.4Very low43.7Very low154 Ų154152.3 Ų152.379%0.7983%0.826SS**  trans-104.1106.6-178.645.8169.4000110.8
5I41.4Very low44.4Very low143 Ų143147.7 Ų147.773%0.73381%0.81SS**  trans23.7104.3136.7-57.3161.6000115.1K7I5-K7 HydrophobicContact CG2-CG 4.05Å
6S35.6Very low44.9Very low120 Ų120148.4 Ų148.484%0.83981%0.811SS**  trans-68.2127.9154.8-61.10000109.6
7K46.6Very low45.2Very low189 Ų189150.3 Ų150.382%0.82281%0.813SS**  trans-115.2134160.9-82.6-179.4177-179.20108.2I5I5-K7 HydrophobicContact CG2-CG 4.05Å
8N42.2Very low45.3Very low160 Ų160149.3 Ų149.386%0.85682%0.815SS**  trans-77.3141.3174.5-61-47.5000110.7
9S44.7Very low45.3Very low114 Ų114147.4 Ų147.480%0.79781%0.813SS**  trans-141.490.814852.80000103.2
10D44.5Very low44.9Very low134 Ų134150.1 Ų150.172%0.71782%0.816SS**  61.3133.665.4-157.915.1000111.6
11L47.8Very low45Very low142 Ų142152 Ų15274%0.74381%0.813SS**  trans68.1136.9-171-37.4174.2000112
12E49.1Very low45.2Very low175 Ų175144.8 Ų144.882%0.81878%0.784SS**  cis-148.3168.323.6-65.1169.2-166.600111.7
13F40.3Very low45.4Very low179 Ų179146.2 Ų146.279%0.78579%0.785SS**  trans74.776.1162.9-102.1-91.3000120.3
14D49.2Very low46Very low162 Ų162149 Ų14987%0.86678%0.781SS**  trans-127.8105.3140.2-174.913.8000109.6
15S54.1Low46.2Very low84 Ų84149.2 Ų149.259%0.58778%0.783SS**  trans-164.463.5-179.747.90000112.5
16L51.8Low46.6Very low159 Ų159150.6 Ų150.683%0.83279%0.792SS**  trans-128.397.4163.7-71.2176.3000110.7
17Q49.7Very low47Very low180 Ų180154 Ų15484%0.84179%0.792SS**  trans-67.3138.5165.2-72.1-169.6-82.600110.1C19Q17-C19 PolarHBondContact O-N 2.97Å; Q17-C19 VanDerWaalsContact O-N 3.15Å
18P47.6Very low47.3Very low132 Ų132155 Ų15586%0.85779%0.792SS**  trans-65.3112.1165.9-19.532.8000110.3F20P18-F20 PolarHBondContact O-N 3.08Å
19C45.4Very low47.6Very low113 Ų113156 Ų15676%0.76480%0.797SS**  trans-78.1118.7170-65.30000109.1Q17Q17-C19 PolarHBondContact O-N 2.97Å; Q17-C19 VanDerWaalsContact O-N 3.15Å
20F37.2Very low47.5Very low201 Ų201156.8 Ų156.888%0.88280%0.8SS**  trans-83.2114.1167.7-142.9-91.6000107.4P18P18-F20 PolarHBondContact O-N 3.08Å
21Y46.6Very low47.4Very low192 Ų192152.9 Ų152.975%0.75379%0.792SS**  trans-96.5117.9169.6-112.3-97.1000107.9
22P46.6Very low47.6Very low85 Ų85152.9 Ų152.955%0.55280%0.801SS**  trans-79.9112.5161.6-1.620.7000107.8E24P22-E24 VanDerWaalsContact C-N 3.26Å; P22-E24 HydrophobicContact CB-CG 4.37Å; P22-E24 PolarHBondContact O-N 2.95Å
23D46.3Very low47.6Very low151 Ų151152.1 Ų152.181%0.80780%0.802SS**  trans-77.382.4170.2-73.7-25.1000109D25D23-D25 PolarHBondContact O-N 3.34Å
24E50.7Low47.8Very low161 Ų161147.8 Ų147.875%0.75280%0.799SS**  trans-81.582.7166-56.3-73.2151.900108.7P22P22-E24 VanDerWaalsContact C-N 3.26Å; P22-E24 HydrophobicContact CB-CG 4.37Å; P22-E24 PolarHBondContact O-N 2.95Å
25D52Low48Very low157 Ų157144.2 Ų144.284%0.8479%0.792SS**  trans-179.585.5160-96.3-28.3000111.7D23D23-D25 PolarHBondContact O-N 3.34Å
26D50.2Low48.1Very low173 Ų173145 Ų14593%0.92580%0.796SS**  trans-152.627.5159-116.3-20.1000112.7
27F44.7Very low48.2Very low192 Ų192144 Ų14484%0.84280%0.799SS**  trans-101.971.8175.8-161-85.5000110.6
28Y52.7Low48.5Very low209 Ų209137.6 Ų137.682%0.8278%0.781SS**  trans170.997148.3-113.9-88.9000111.1
29L49Very low48.8Very low181 Ų181139.1 Ų139.195%0.94878%0.777SS**  trans-163.247.7149.5-133.473.9000114.2
30C41.8Very low49.6Very low130 Ų130139 Ų13988%0.87877%0.769SS**  trans-100.5107.5169.1-119.80000110.6
31G43.1Very low50.9Low53 Ų53134.7 Ų134.755%0.54675%0.753SS.*  trans-77.9145.7172.800000111.9D33G31-D33 VanDerWaalsContact C-N 3.29Å; G31-D33 PolarHBondContact O-N 3.38Å
32P51.7Low51.6Low141 Ų141135 Ų13592%0.91675%0.753SS**THydrogen-bonded Turntrans-84.749.3-164.736.3-39.2000114.7
33D48.6Very low52.3Low159 Ų159137.2 Ų137.285%0.8575%0.754SS**THydrogen-bonded Turntrans-155.626.8173-146.16.1000115.2G31 A35G31-D33 VanDerWaalsContact C-N 3.29Å; G31-D33 PolarHBondContact O-N 3.38Å; D33-A35 PolarHBondContact O-N 3.34Å
34A45.1Very low52.8Low88 Ų88137.3 Ų137.373%0.72775%0.748SS**  trans-9683.1178.900000111.9
35A53.2Low53.2Low87 Ų87137.1 Ų137.172%0.71975%0.745SS**  trans-67.3138173.400000112D33D33-A35 PolarHBondContact O-N 3.34Å
36P56.8Low53.7Low102 Ų102136.9 Ų136.966%0.66274%0.738SS**  trans-66.8142177.6-2133.3000112.9G38P36-G38 PolarHBondContact O-N 3.13Å
37P53.8Low54Low137 Ų137135.8 Ų135.889%0.8973%0.732SS**THydrogen-bonded Turntrans-70.537.7178.4-21.234.7000116.5
38G54.9Low54.8Low46 Ų46133.5 Ų133.547%0.47473%0.728SS.*THydrogen-bonded Turntrans-98.9-18.1-167.100000117.4P36P36-G38 PolarHBondContact O-N 3.13Å
39E54.4Low55Low163 Ų163129.1 Ų129.176%0.76273%0.725SS**SBendtrans-95.5-16.7-157.2-61.3-175.1-178.700116.1
40D62.4Low55.3Low112 Ų112126.8 Ų126.860%0.59972%0.718SS**Hα-helixtrans-93.6-12.9-169.2-162.945.6000114.9
41I64.3Low55.7Low109 Ų109125.7 Ų125.756%0.55971%0.71SS**Hα-helixtrans-70.6-37.2-176.2-61.6164.5000111.4
42W61.4Low56.6Low199 Ų199129.1 Ų129.175%0.75472%0.722SS**Hα-helixtrans-91-31.9-172.9-62.979.5000112.4K44 F45W42-K44 PolarHBondContact O-N 3.1Å; W42-K44 VanDerWaalsContact O-N 3.1Å; W42-F45 PolarHBondContact O-N 2.93Å
43K60.7Low56.7Low132 Ų132130.6 Ų130.657%0.57472%0.721SS**Hα-helixtrans-59.3-21.9175.6-133.4170.4-170166.90113.7F45K43-F45 VanDerWaalsContact C-N 3.28Å; K43-F45 PolarHBondContact O-N 3.34Å
44K58.1Low57.1Low153 Ų153128.2 Ų128.267%0.66572%0.717SS**THydrogen-bonded Turntrans-69.4-17.5173.4-78.5172.8166.4-71.30114.7W42W42-K44 PolarHBondContact O-N 3.1Å; W42-K44 VanDerWaalsContact O-N 3.1Å
45F57.8Low57.4Low157 Ų157130.2 Ų130.269%0.68972%0.722SS**THydrogen-bonded Turntrans-103.2-11.9-178.7-66.4-85000113.8W42 K43 L47W42-F45 PolarHBondContact O-N 2.93Å; K43-F45 VanDerWaalsContact C-N 3.28Å; K43-F45 PolarHBondContact O-N 3.34Å; F45-L47 PolarHBondContact O-N 3.21Å
46E62Low57Low151 Ų151131.1 Ų131.171%0.70672%0.724SS**THydrogen-bonded Turntrans-76.9-4.6-178.6-63.3-176.913800114.3
47L58.1Low56.6Low151 Ų151138.9 Ų138.979%0.79174%0.74SS**THydrogen-bonded Turntrans-11819.2-170.6-90.7164.3000115.2F45 P49F45-L47 PolarHBondContact O-N 3.21Å; L47-P49 WeakPolarHBondContact O-CD 3.32Å
48L60.8Low56.4Low144 Ų144136.8 Ų136.875%0.75473%0.734SS**SBendtrans-87.2115161.3-67.9-180000109T50L48-T50 PolarHBondContact O-N 3.05Å
49P56.8Low55.5Low116 Ų116139 Ų13975%0.75375%0.748SS**PPolyproline II helixtrans-60139.417226.2-33.2000109.3L47L47-P49 WeakPolarHBondContact O-CD 3.32Å
50T54.9Low55Low133 Ų133139.6 Ų139.682%0.81676%0.755SS**PPolyproline II helixtrans-50.6123-178.6-430000109.9L48L48-T50 PolarHBondContact O-N 3.05Å
51P50.7Low54Low107 Ų107140.4 Ų140.470%0.69577%0.766SS**PPolyproline II helixtrans-58.8137.2177.822.9-32.1000109.3
52P61.8Low52.7Low125 Ų125138.5 Ų138.581%0.81277%0.774SS**PPolyproline II helixtrans-62.8143.8-174.525.4-34.2000111.1
53L53.6Low51.4Low172 Ų172138 Ų13890%0.90178%0.78SS**PPolyproline II helixtrans-60.5140.7176.5-65.7169.8000110.8
54S56.6Low50.7Low108 Ų108136.7 Ų136.776%0.75579%0.785SS**PPolyproline II helixtrans-56.3142.5178.5-56.40000112S56S54-S56 PolarHBondContact O-N 3.43Å
55P52.5Low49.5Very low130 Ų130134.2 Ų134.284%0.84479%0.793SS**PPolyproline II helixtrans-60.7125.3-178.7-22.933.3000112.5
56S45Very low48.4Very low107 Ų107131.8 Ų131.875%0.74880%0.802SS**PPolyproline II helixtrans-69.7133.3169.5-52.70000110.3S54 A58S54-S56 PolarHBondContact O-N 3.43Å; S56-A58 PolarHBondContact O-N 3Å
57R48.7Very low47.1Very low265 Ų265129.6 Ų129.6100%181%0.81SS**SBendtrans-76.549.7-177.6-167.7-178.7146.5148-5.4112.5
58A48.9Very low46Very low93 Ų93129.1 Ų129.177%0.76981%0.813SS**  trans-147.560-175.200000111.8S56S56-A58 PolarHBondContact O-N 3Å
59A36.5Very low44.7Very low92 Ų92126.9 Ų126.976%0.7682%0.815SS**  trans-153.382.1171.200000111.2
60L43.8Very low43.5Very low176 Ų176126.9 Ų126.992%0.92182%0.818SS**PPolyproline II helixtrans-100.9117.9157.9-75.7175.5000107.8
61P41.3Very low42.6Very low128 Ų128125.8 Ų125.883%0.83182%0.816SS**PPolyproline II helixtrans-80127.9169.131.7-30.5000109.4
62G35.8Very low41.8Very low70 Ų70129.6 Ų129.672%0.72283%0.825SS**PPolyproline II helixtrans-98.2167.1171.100000112.5
63E34.2Very low40.6Very low189 Ų189128.7 Ų128.788%0.88383%0.828SS**  trans-167.8152.9134.4-103-79.4102.800109.3
64P47.1Very low39.6Very low104 Ų104128.2 Ų128.268%0.67583%0.826SS**  trans-110.8169.4-170.441.1-32.7000114
65A32.6Very low39.3Very low101 Ų101128 Ų12884%0.83582%0.822SS**  trans-154.9103.9157.200000113.8
66A35.1Very low38.8Very low105 Ų105130 Ų13087%0.86882%0.824SS**  trans35.4115.8145.600000122.1
67A34.3Very low38.1Very low106 Ų106128.5 Ų128.588%0.87683%0.827SS**  trans-144.8149.7131.900000110.1
68T35.1Very low37.2Very low141 Ų141125.8 Ų125.887%0.86582%0.822SS**  trans-103143.4-164.851.10000114.2
69A33.5Very low36.6Very low96 Ų96126.4 Ų126.479%0.79382%0.821SS**  172.6140.3126.200000115.8
70S31.7Very low37Very low116 Ų116129 Ų12981%0.81182%0.821SS**  trans47.1108.7147-61.60000124.7
71S35.4Very low36.5Very low110 Ų110124.5 Ų124.577%0.76982%0.818SS**  57.5130.5106.2-142.50000123.6
72E33.9Very low36.5Very low188 Ų188123.9 Ų123.988%0.87981%0.807SS**  trans58.1111.3159.1-65.7-161.1151.300120.7
73A37.5Very low37Very low106 Ų106126.4 Ų126.488%0.87681%0.811SS**  -176.7161.9110.500000112.2
74D32Very low37.7Very low161 Ų161122.6 Ų122.686%0.86180%0.796SS**  trans-50.6173.9-171.5-106.2-16.8000120
75P49.5Very low37.9Very low103 Ų103125 Ų12567%0.66980%0.803SS**  trans-90.7177.8-162.338.1-39.6000115.9
76L43.2Very low38.2Very low172 Ų172130 Ų13090%0.90180%0.8SS**  trans9379.9179-53.2-179.1000115.1
77G29Very low38.5Very low77 Ų77127.3 Ų127.379%0.79478%0.779SS**  trans-140.8109.8163.800000110.2
78F31.5Very low39.3Very low207 Ų207125.8 Ų125.891%0.90876%0.762SS**  trans-82.6175.1172.3-101.3-102.7000111.2
79S34.5Very low39.7Very low107 Ų107127.9 Ų127.975%0.74876%0.761SS**  trans79.6142.9170.1-71.80000117.9
80L45.8Very low40.4Very low146 Ų146131 Ų13176%0.76476%0.764SS**  cis-160.1165.1-23.4-152.778000107.8
81G33.9Very low41.1Very low82 Ų82132.6 Ų132.685%0.84576%0.763SS**  trans-158.532.2173.100000113.1
82D40.4Very low41.6Very low115 Ų115134.6 Ų134.662%0.61576%0.764SS**  trans-113.7128.9-174.4-164.337.1000110.1L84D82-L84 PolarHBondContact O-N 3.2Å; D82-L84 VanDerWaalsContact O-N 3.11Å
83P46.6Very low41.8Very low122 Ų122133.4 Ų133.479%0.79276%0.763SS**SBendtrans-8877.4-171.534.8-34.6000112.1
84L49.4Very low42.2Very low109 Ų109134.2 Ų134.257%0.57176%0.759SS**  trans-134.245172.2-158.964.5000112.6D82 W86D82-L84 PolarHBondContact O-N 3.2Å; D82-L84 VanDerWaalsContact O-N 3.11Å; L84-W86 PolarHBondContact O-N 2.89Å
85D50.5Low42.9Very low154 Ų154135.1 Ų135.182%0.82476%0.758SS**THydrogen-bonded Turntrans-101.660.4-174.3-166.330.2000112.4
86W39.4Very low42.6Very low206 Ų206137.5 Ų137.578%0.7877%0.765SS**THydrogen-bonded Turntrans-149.7-11.4169.162.4-92.5000113.9L84L84-W86 PolarHBondContact O-N 2.89Å
87A42.3Very low42.6Very low50 Ų50136.9 Ų136.941%0.41376%0.763SS.*SBendtrans-96.5-9.6179.700000113.8
88S50.1Low43.2Very low74 Ų74140.8 Ų140.852%0.51776%0.764SS.*SBendtrans-99.8-8.5-172.3-59.30000115
89E43.2Very low43.7Very low184 Ų184143.4 Ų143.486%0.8677%0.768SS**THydrogen-bonded Turntrans-84.4-12.9-179-154.9174-167.400113.2
90L47.8Very low43.6Very low163 Ų163142 Ų14285%0.85377%0.77SS**THydrogen-bonded Turntrans-92.91177.2-77.4171.7000114.7
91L46.6Very low43.2Very low148 Ų148140.4 Ų140.478%0.77578%0.778SS**SBendtrans-116.115.1-176.4-66.5176.7000114.1
92L46.2Very low43.3Very low153 Ų153142 Ų14280%0.80178%0.776SS**  trans-124.762.8173.2-83.693.8000112.4
93L39Very low43.6Very low162 Ų162143.6 Ų143.685%0.84879%0.785SS**SBendtrans-110.8125.9152.8-96153.9000107.3E95L93-E95 PolarHBondContact O-N 3.5Å
94P44.8Very low43.4Very low124 Ų124145.1 Ų145.181%0.80579%0.786SS**  trans-59.8129-171.6-2735.5000113.7D96P94-D96 PolarHBondContact O-N 3.36Å
95E46.8Very low43Very low180 Ų180142.8 Ų142.884%0.84179%0.789SS**  trans-69.3119.6154.7-61-178143.500107.9L93L93-E95 PolarHBondContact O-N 3.5Å
96D43.6Very low43Very low152 Ų152143.6 Ų143.681%0.81379%0.793SS**  trans168.3155.3139.7-84.7-30.1000110.8P94P94-D96 PolarHBondContact O-N 3.36Å
97D42.6Very low43.3Very low159 Ų159141.8 Ų141.885%0.8580%0.798SS**  trans6662.6173.9-67.5-16.1000119.7
98I42Very low43.1Very low159 Ų159149.5 Ų149.582%0.81582%0.822SS**  trans-128.558154.6-47.4-179000111.5
99W42.8Very low42.3Very low262 Ų262149.6 Ų149.699%0.99284%0.835SS**  trans-143.973.5162.5-75.297.8000110.4
100G32.7Very low41.9Very low77 Ų77146 Ų14679%0.79483%0.83SS**  trans-160.6118.3176.200000110.6
101A36.8Very low41.4Very low113 Ų113142.6 Ų142.693%0.93482%0.82SS**  trans-76.6139.7-169.700000113.6
102S35.2Very low41.4Very low115 Ų115141.3 Ų141.380%0.80482%0.818SS**  trans-151.2132.7137.6-164.90000111
103D46.8Very low41.1Very low150 Ų150141.7 Ų141.780%0.80282%0.821SS**  trans-40.4121.8159.6-178.732.9000113.3
104D43Very low41.6Very low153 Ų153140.8 Ų140.882%0.81882%0.822SS**  179.1147.7122-143.4-28.1000112.8
105G41.2Very low41.6Very low60 Ų60139.4 Ų139.462%0.61981%0.808SS**  trans58104.7147.300000124.2
106D50.8Low41.9Very low172 Ų172135.5 Ų135.592%0.9280%0.798SS**  trans27.4104.9142.8-84-23.4000120.7
107L45.8Very low42.4Very low168 Ų168133.3 Ų133.388%0.8879%0.787SS**  trans-148.311155.7-161.748000116.5
108F36.7Very low42.8Very low212 Ų212133.2 Ų133.293%0.9379%0.786SS**  trans-137.176.5177.2-135.5-92.3000113.4
109G33.2Very low43.7Very low75 Ų75132.6 Ų132.677%0.77378%0.783SS**  trans-84.211917600000113
110S35.6Very low44.2Very low109 Ų109125.9 Ų125.976%0.76277%0.765SS**  trans56.7110.4158.5-153.70000117.1
111S36.4Very low45.4Very low91 Ų91128.1 Ų128.164%0.63676%0.757SS**  58113.771.8-168.20000114
112V47.3Very low46.2Very low122 Ų122131.5 Ų131.574%0.73975%0.754SS**  trans50.4111.9161.7-54.80000119.5
113D39.6Very low46.6Very low161 Ų161131.1 Ų131.186%0.86174%0.743SS**  trans-158.281142.1-111.9-31.1000110.6N115D113-N115 PolarHBondContact O-N 3.27Å
114T49.8Very low46.8Very low142 Ų142129.1 Ų129.187%0.87174%0.74SS**  trans-76.772.3178.7-47.90000110.5P116T114-P116 WeakPolarHBondContact O-CD 3.29Å
115N43.9Very low47.5Very low95 Ų95129.1 Ų129.151%0.50874%0.736SS.*  trans-106.397.4177.1-168.1-12.5000111.4D113 N117D113-N115 PolarHBondContact O-N 3.27Å; N115-N117 PolarHBondContact O-N 3.34Å; N115-N117 VanDerWaalsContact O-N 3.09Å; N115-N117 WeakPolarHBondContact OD1-CB 3.49Å; N115-N117 PolarHBondContact OD1-N 3.04Å; N115-N117 PolarHBondContact OD1-ND2 2.98Å
116P53.4Low48.3Very low98 Ų98138.4 Ų138.464%0.63675%0.753SS**G310 helixtrans-67.3-10.3-177.227.6-35.2000113.9T114 N118 I119T114-P116 WeakPolarHBondContact O-CD 3.29Å; P116-N118 PolarHBondContact O-N 3.4Å; P116-I119 PolarHBondContact O-N 2.79Å
117N54.8Low48.1Very low107 Ų107135.2 Ų135.257%0.57274%0.744SS**G310 helixtrans-71.8-7.4-178.1-60.5-67.7000114.3N115 I120N115-N117 PolarHBondContact O-N 3.34Å; N115-N117 VanDerWaalsContact O-N 3.09Å; N115-N117 WeakPolarHBondContact OD1-CB 3.49Å; N115-N117 PolarHBondContact OD1-N 3.04Å; N115-N117 PolarHBondContact OD1-ND2 2.98Å; N117-I120 HydrophobicContact CB-CD1 4.27Å; N117-I120 WeakPolarHBondContact O-CD1 3.32Å; N117-I120 WeakPolarHBondContact O-CG1 3.38Å
118N51.6Low48.4Very low157 Ų157130.3 Ų130.384%0.8473%0.734SS**G310 helixtrans-87.7-0.2175.5-112.7-5.8000114.2P116P116-N118 PolarHBondContact O-N 3.4Å
119I60.2Low49Very low146 Ų146130.6 Ų130.675%0.74974%0.736SS**G310 helixtrans-110.432.1170.9-38.4-178.9000110.4P116 I121P116-I119 PolarHBondContact O-N 2.79Å; I119-I121 VanDerWaalsContact C-N 3.34Å; I119-I121 PolarHBondContact O-N 2.96Å
120I54.2Low49.9Very low120 Ų120132.3 Ų132.362%0.61574%0.736SS**  trans-7692.8168.2-62.3173.4000107.7N117 Q122N117-I120 HydrophobicContact CB-CD1 4.27Å; N117-I120 WeakPolarHBondContact O-CD1 3.32Å; N117-I120 WeakPolarHBondContact O-CG1 3.38Å; I120-Q122 PolarHBondContact O-N 3.38Å; I120-Q122 VanDerWaalsContact O-N 3.1Å
121I56.7Low50.8Low124 Ų124131.5 Ų131.564%0.63674%0.736SS**  trans-57.6115.4164.7-55.7177.8000106.7I119 D123I119-I121 VanDerWaalsContact C-N 3.34Å; I119-I121 PolarHBondContact O-N 2.96Å; I121-D123 HydrophobicContact CG2-CB 4.27Å; I121-D123 VanDerWaalsContact CG2-CG 3.47Å; I121-D123 WeakPolarHBondContact CG2-OD2 3.31Å; I121-D123 PolarHBondContact O-N 2.9Å
122Q53.8Low51.2Low184 Ų184137.6 Ų137.686%0.8675%0.745SS**  trans-79.453.1-177.1-157.617528.400111I120 C124I120-Q122 PolarHBondContact O-N 3.38Å; I120-Q122 VanDerWaalsContact O-N 3.1Å; Q122-C124 VanDerWaalsContact C-N 3.33Å; Q122-C124 PolarHBondContact O-N 3.14Å
123D44.3Very low51.3Low107 Ų107138.1 Ų138.157%0.57274%0.739SS**  trans-68.988.9179.8-88.1-19.8000110.2I121 M125I121-D123 HydrophobicContact CG2-CB 4.27Å; I121-D123 VanDerWaalsContact CG2-CG 3.47Å; I121-D123 WeakPolarHBondContact CG2-OD2 3.31Å; I121-D123 PolarHBondContact O-N 2.9Å; D123-M125 HydrophobicContact CB-CE 4.16Å; D123-M125 HydrophobicContact CB-CG 4.35Å; D123-M125 PolarHBondContact O-N 3.48Å
124C51.3Low51.9Low109 Ų109138.4 Ų138.474%0.73673%0.733SS**  trans-7454.8-179-158.40000111.8Q122 W126Q122-C124 VanDerWaalsContact C-N 3.33Å; Q122-C124 PolarHBondContact O-N 3.14Å; C124-W126 VanDerWaalsContact C-N 3.32Å; C124-W126 PolarHBondContact O-N 3.41Å
125M56.6Low51.8Low152 Ų152137.4 Ų137.475%0.74972%0.721SS**THydrogen-bonded Turntrans-86.38.5-175.1-68.6-159.8-74.900114.6D123D123-M125 HydrophobicContact CB-CE 4.16Å; D123-M125 HydrophobicContact CB-CG 4.35Å; D123-M125 PolarHBondContact O-N 3.48Å
126W58.4Low52.2Low255 Ų255139.6 Ų139.697%0.96673%0.729SS**THydrogen-bonded Turntrans-115.731.4178.5-89.2-4.9000115.2C124C124-W126 VanDerWaalsContact C-N 3.32Å; C124-W126 PolarHBondContact O-N 3.41Å
127S46.3Very low52.3Low106 Ų106142.1 Ų142.174%0.74173%0.726SS**  trans-112.664.9160.4-90.90000112.6
128G51.3Low52.2Low65 Ų65141.1 Ų141.167%0.6772%0.723SS**  trans-68.8125.3155.900000110.1
129F49.3Very low52.2Low217 Ų217138.2 Ų138.295%0.95271%0.711SS**SBendtrans67.283.4174.2-66.4-93.7000118.3
130S53.9Low51.9Low111 Ų111136.2 Ų136.278%0.77671%0.706SS**SBendtrans-164.2-30.9135.9-145.40000114.8R132S130-R132 PolarHBondContact O-N 2.86Å
131A52.8Low51.9Low93 Ų93136 Ų13677%0.76970%0.702SS**THydrogen-bonded Turntrans-78.5-12.3-165.200000116.8
132R46.2Very low51.8Low219 Ų219138.4 Ų138.483%0.82671%0.708SS**THydrogen-bonded Turntrans-82-28.7-172.8-170.5171.7173.7-129.7-8.2114.8S130S130-R132 PolarHBondContact O-N 2.86Å
133E48.3Very low51.6Low132 Ų132136.3 Ų136.362%0.61770%0.702SS**THydrogen-bonded Turntrans-82.8-13.2-174.2-148.5-152.6122.300114R137E133-R137 PolarHBondContact O-NH1 3.2Å; E133-R137 IonicContact OE1-CZ 3.32Å; E133-R137 IonicContact OE1-NH1 3.15Å; E133-R137 PolarHBondContact OE1-NH1 3.43Å; E133-R137 IonicContact OE1-NH2 3.87Å; E133-R137 PolarHBondContact OE1-NH2 2.91Å
134K52Low51.9Low168 Ų168134 Ų13473%0.7370%0.703SS**THydrogen-bonded Turntrans-98.3-7.8-173.7-146.3169.1-175.3175.90114.3
135L49.1Very low51.9Low120 Ų120135.7 Ų135.763%0.62870%0.698SS**THydrogen-bonded Turntrans-86.6-36.6-178.2-16759.5000113.2R137 V138 V139L135-R137 VanDerWaalsContact C-N 3.3Å; L135-R137 PolarHBondContact O-N 3.48Å; L135-V138 PolarHBondContact O-N 2.88Å; L135-V139 PolarHBondContact O-N 3.33Å
136E51.3Low51.3Low142 Ų142132.5 Ų132.566%0.66470%0.696SS**Hα-helixtrans-66.6-28.1-179-69.3-175.6158.700113.5T140E136-T140 WeakPolarHBondContact O-CG2 3.32Å; E136-T140 PolarHBondContact O-OG1 3Å
137R55Low51Low151 Ų151127.6 Ų127.657%0.5769%0.687SS**Hα-helixtrans-76.9-25.7177.5-63.7-175.1-176.7101.1-11.4113.5E133 L135 T140 E141E133-R137 PolarHBondContact O-NH1 3.2Å; E133-R137 IonicContact OE1-CZ 3.32Å; E133-R137 IonicContact OE1-NH1 3.15Å; E133-R137 PolarHBondContact OE1-NH1 3.43Å; E133-R137 IonicContact OE1-NH2 3.87Å; E133-R137 PolarHBondContact OE1-NH2 2.91Å; L135-R137 VanDerWaalsContact C-N 3.3Å; L135-R137 PolarHBondContact O-N 3.48Å; R137-T140 PolarHBondContact O-OG1 2.81Å; R137-E141 PolarHBondContact O-N 3.47Å
138V52.8Low50.8Low85 Ų85127.1 Ų127.152%0.51568%0.683SS.*Hα-helixtrans-85.1-36.7-178.9-179.90000111.7L135 K142L135-V138 PolarHBondContact O-N 2.88Å; V138-K142 WeakPolarHBondContact O-CB 3.16Å; V138-K142 PolarHBondContact O-N 3.42Å; V138-K142 VanDerWaalsContact O-N 3.12Å
139V53.3Low50.3Low96 Ų96130.6 Ų130.658%0.58269%0.692SS**Hα-helixtrans-67-38.7176.9177.30000111.2L135L135-V139 PolarHBondContact O-N 3.33Å
140T53Low49.8Very low105 Ų105125.5 Ų125.564%0.64469%0.69SS**Hα-helixtrans-72.4-34.3178.147.20000113.1E136 R137E136-T140 WeakPolarHBondContact O-CG2 3.32Å; E136-T140 PolarHBondContact O-OG1 3Å; R137-T140 PolarHBondContact O-OG1 2.81Å
141E54.6Low48.7Very low114 Ų114125.4 Ų125.453%0.53369%0.689SS.*Hα-helixtrans-72.4-38.6175.6-163.2-173.1157.700112.6R137 L143 G144 K145R137-E141 PolarHBondContact O-N 3.47Å; E141-L143 PolarHBondContact O-N 2.92Å; E141-G144 PolarHBondContact O-N 3.02Å; E141-K145 HydrophobicContact CG-CD 4.35Å; E141-K145 IonicContact OE1-NZ 2.84Å; E141-K145 PolarHBondContact OE1-NZ 3.42Å
142K54.5Low47.8Very low176 Ų176125.9 Ų125.977%0.76569%0.693SS**Hα-helixtrans-76.5-18.4-172.8-149.2177.6-177.3-174.10114.1V138V138-K142 WeakPolarHBondContact O-CB 3.16Å; V138-K142 PolarHBondContact O-N 3.42Å; V138-K142 VanDerWaalsContact O-N 3.12Å
143L49.9Very low47.1Very low140 Ų140119.4 Ų119.473%0.73370%0.695SS**Hα-helixtrans-80.7-25.6168.8-170.758.4000112.4E141E141-L143 PolarHBondContact O-N 2.92Å
144G50.8Low46.3Very low58 Ų58116.7 Ų116.760%0.59870%0.702SS**Hα-helixtrans-77.4-17.2179.800000115.6E141E141-G144 PolarHBondContact O-N 3.02Å
145K50Low45.7Very low145 Ų145120.1 Ų120.163%0.6371%0.711SS**THydrogen-bonded Turntrans-92.8-5.5-177.8-101.986.1172.9-167.40115.4E141E141-K145 HydrophobicContact CG-CD 4.35Å; E141-K145 IonicContact OE1-NZ 2.84Å; E141-K145 PolarHBondContact OE1-NZ 3.42Å
146A45.4Very low45Very low85 Ų85122.2 Ų122.270%0.70272%0.722SS**SBendtrans-85-5.4-17900000114.5
147I50.7Low44.2Very low151 Ų151120.7 Ų120.777%0.77473%0.734SS**SBendtrans-121.655.8-178.6-43.5179.3000110.2
148S43.7Very low43.1Very low96 Ų96124.4 Ų124.467%0.67175%0.749SS**SBendtrans-161.9149.1162.8-850000110.9
149T39.2Very low42.1Very low138 Ų138127.4 Ų127.485%0.84777%0.767SS**  trans5868.8174.465.30000117.1
150A38.7Very low41.2Very low110 Ų110133.4 Ų133.491%0.90978%0.78SS**  trans-76.8104.5137.100000108.6
151S32.4Very low40.2Very low110 Ų110134.5 Ų134.577%0.76979%0.786SS**  trans-170.3133.1163.8-166.70000112.3
152A34Very low39.7Very low103 Ų103134.4 Ų134.485%0.85180%0.795SS**  trans58.3142.917400000117.8
153G31Very low38.7Very low83 Ų83134.5 Ų134.586%0.85680%0.798SS**  cis126.2104.9-6.900000113.9
154G31.5Very low37.9Very low75 Ų75134.2 Ų134.277%0.77380%0.802SS**  trans145.291.6160.800000121
155R38.5Very low37Very low240 Ų240136.4 Ų136.491%0.90680%0.804SS**  49112.2129.4-64.4178.9162.9-167.1-7.6123.5
156N35.1Very low36.7Very low164 Ų164135.2 Ų135.288%0.87781%0.814SS**  37.5129.4126.8-54.2-2.6000123.6
157A34.2Very low36.3Very low109 Ų109141.9 Ų141.990%0.90182%0.821SS**  trans-156.7150.1140.100000112.9
158Y31.4Very low35.5Very low229 Ų229139.8 Ų139.890%0.89882%0.819SS**  trans-105.1141.3-176.4-114-104.9000111.7
159V32.9Very low35.3Very low148 Ų148141 Ų14190%0.89783%0.828SS**  trans-147.4150.9153.5-177.60000110
160R33.6Very low35.2Very low223 Ų223140.4 Ų140.484%0.84282%0.824SS**  trans-98141.4-174.3-106.9-172.7171.2-172.1-2.6113.4
161V33.2Very low35.4Very low127 Ų127140.6 Ų140.677%0.7782%0.819SS**  50.6135.3125.6176.80000118.4
162P42.8Very low36.6Very low112 Ų112144.4 Ų144.473%0.72782%0.824SS**  cis-139.9170.637.227.7-2.6000119.7
163E33.1Very low38Very low178 Ų178145.4 Ų145.483%0.83282%0.824SS**  trans38.3108.8141-166.8-177.5167.600121.6
164V34Very low39.8Very low135 Ų135146.5 Ų146.582%0.81881%0.813SS**  trans-146116.8143-179.30000111.5
165V32.3Very low41.2Very low103 Ų103147 Ų14762%0.62480%0.798SS**  trans10.7126142.9-174.50000119.4R167V165-R167 HydrophobicContact CG1-CG 4.47Å; V165-R167 PolarHBondContact O-N 3.33Å
166S43.6Very low42.2Very low121 Ų121139.8 Ų139.885%0.84678%0.783SS**  trans-54.8127.7162.8-53.70000112.8
167R36.3Very low43.6Very low224 Ų224135.3 Ų135.385%0.84577%0.769SS**  trans-131.7113.2163.5-73.2-167.9169.3-166.2-5.2111V165V165-R167 HydrophobicContact CG1-CG 4.47Å; V165-R167 PolarHBondContact O-N 3.33Å
168S34.6Very low45.1Very low107 Ų107136.1 Ų136.175%0.74876%0.757SS**  trans-62.7133.3163-175.90000108.9V170S168-V170 PolarHBondContact O-N 3.25Å
169S39.4Very low46.9Very low121 Ų121129.9 Ų129.985%0.84674%0.742SS**  trans-91.988.5176.9-610000109.6
170V35.9Very low47.7Very low126 Ų126129.9 Ų129.976%0.76473%0.73SS**  trans-89.4134.2163.4-69.50000109S168 E172S168-V170 PolarHBondContact O-N 3.25Å; V170-E172 PolarHBondContact O-N 3.1Å
171S42.8Very low49.1Very low115 Ų115124.4 Ų124.480%0.80472%0.724SS**  trans-71.8126.5178.9-63.70000110.6C173S171-C173 PolarHBondContact O-N 2.7Å
172E57.8Low49.6Very low189 Ų189126.6 Ų126.688%0.88372%0.723SS**  trans-73.4103178-171.2172-179.100109.8V170 V174V170-E172 PolarHBondContact O-N 3.1Å; E172-V174 PolarHBondContact O-N 3.06Å
173C63.8Low50.3Low124 Ų124127.3 Ų127.384%0.83873%0.728SS**PPolyproline II helixtrans-72.4118.3178.6-61.80000110.3S171S171-C173 PolarHBondContact O-N 2.7Å
174V69.4Low50.8Low106 Ų106125.1 Ų125.164%0.64273%0.726SS**PPolyproline II helixtrans-79.6126.3175.8179.60000109.7E172E172-V174 PolarHBondContact O-N 3.06Å
175D61.1Low51.1Low86 Ų86125.6 Ų125.646%0.4672%0.724SS.*PPolyproline II helixtrans-62.6123.2175.8172.97.4000111.1A177 I178D175-A177 PolarHBondContact O-N 2.94Å; D175-A177 VanDerWaalsContact O-N 3.16Å; D175-A177 VanDerWaalsContact OD1-CB 3.31Å; D175-A177 WeakPolarHBondContact OD1-CB 3.25Å; D175-A177 PolarHBondContact OD1-N 2.87Å; D175-I178 HydrophobicContact CB-CD1 3.99Å; D175-I178 HydrophobicContact CB-CG1 4.1Å; D175-I178 WeakPolarHBondContact O-CB 3.45Å; D175-I178 WeakPolarHBondContact O-CG1 3.37Å; D175-I178 PolarHBondContact O-N 3.14Å
176P58.7Low51.4Low88 Ų88130.6 Ų130.657%0.57174%0.738SS**G310 helixtrans-61.4-20.1178.925.2-34.4000113.9I178 V179P176-I178 PolarHBondContact O-N 3.36Å; P176-V179 WeakPolarHBondContact O-CB 3.36Å; P176-V179 PolarHBondContact O-N 2.69Å
177A64.3Low51.1Low71 Ų71134.7 Ų134.759%0.58774%0.74SS**G310 helixtrans-62.6-23.7173.600000112.9D175 V179D175-A177 PolarHBondContact O-N 2.94Å; D175-A177 VanDerWaalsContact O-N 3.16Å; D175-A177 VanDerWaalsContact OD1-CB 3.31Å; D175-A177 WeakPolarHBondContact OD1-CB 3.25Å; D175-A177 PolarHBondContact OD1-N 2.87Å; A177-V179 VanDerWaalsContact C-N 3.33Å
178I67.3Low50.9Low126 Ų126129.9 Ų129.965%0.64674%0.741SS**G310 helixtrans-77.9-22.7176.4-47174.2000111.1D175 P176D175-I178 HydrophobicContact CB-CD1 3.99Å; D175-I178 HydrophobicContact CB-CG1 4.1Å; D175-I178 WeakPolarHBondContact O-CB 3.45Å; D175-I178 WeakPolarHBondContact O-CG1 3.37Å; D175-I178 PolarHBondContact O-N 3.14Å; P176-I178 PolarHBondContact O-N 3.36Å
179V68Low50.7Low97 Ų97129.6 Ų129.659%0.58874%0.739SS**THydrogen-bonded Turntrans-83.5-19.3-177.7-176.40000112.3P176 A177 P181P176-V179 WeakPolarHBondContact O-CB 3.36Å; P176-V179 PolarHBondContact O-N 2.69Å; A177-V179 VanDerWaalsContact C-N 3.33Å; V179-P181 WeakPolarHBondContact O-CD 3.4Å
180F50Low50.5Low148 Ų148129.5 Ų129.565%0.64974%0.738SS**  trans-111.684.8-179.8-73.2-79.6000112.9F182F180-F182 PolarHBondContact O-N 3.26Å
181P62.3Low50.3Low109 Ų109128.5 Ų128.571%0.70874%0.737SS**  trans-77.265.4176.633.6-37.3000112.4V179V179-P181 WeakPolarHBondContact O-CD 3.4Å
182F43.3Very low49.9Very low172 Ų172128 Ų12875%0.75473%0.734SS**  trans-126.9106171.6-77.2-73.2000111.1F180 V184F180-F182 PolarHBondContact O-N 3.26Å; F182-V184 PolarHBondContact O-N 3.47Å
183P57.7Low48.8Very low128 Ų128123.7 Ų123.783%0.83172%0.724SS**  trans-71.3115.2176.2-1428.5000110.8N185P183-N185 PolarHBondContact O-N 2.93Å
184V45.1Very low47.3Very low132 Ų132122.6 Ų122.680%0.872%0.718SS**  trans-70.6101.1168.2-74.40000110.2F182F182-V184 PolarHBondContact O-N 3.47Å
185N40.5Very low45.7Very low144 Ų144125.7 Ų125.777%0.7772%0.723SS**  trans10.8115.5156.347.78.3000120P183P183-N185 PolarHBondContact O-N 2.93Å
186K38.3Very low44.3Very low209 Ų209128.5 Ų128.591%0.90974%0.738SS**  trans-42.6137.1159.6-68.6166.8168.8170.70114.1
187K36.5Very low43.2Very low206 Ų206128.3 Ų128.390%0.89674%0.744SS**  -157.290.5125.2-161.1165.5-178.3-179.30114.5
188S31.7Very low41.6Very low123 Ų123130.8 Ų130.886%0.8676%0.757SS**  trans-148.3120.4148.356.90000108.9
189S31.9Very low40Very low102 Ų102127.9 Ų127.971%0.71376%0.758SS**  trans-108.7135.9176.349.60000109.2
190S34.3Very low38.3Very low118 Ų118129.3 Ų129.383%0.82577%0.767SS**  trans63.3140.2174.436.90000115.9
191S32.6Very low37.5Very low105 Ų105127.9 Ų127.973%0.73477%0.77SS**  cis-150149.713.950.60000113.2
192S33.4Very low36.1Very low106 Ų106130.1 Ų130.174%0.74178%0.776SS**  trans15.6140.9144.656.60000119.8
193S35.2Very low35.6Very low98 Ų98126 Ų12669%0.68577%0.774SS**  cis-174.9121.811.238.60000108.1
194S32.5Very low34.5Very low100 Ų100125 Ų12570%0.69977%0.769SS**  73.5135.6104.585.30000117.1
195K35.6Very low33.9Very low172 Ų172125.1 Ų125.175%0.74877%0.771SS**  trans85.6111165.1-54.7-164176.4178.90114.6
196D30.5Very low33.6Very low145 Ų145121.6 Ų121.678%0.77576%0.762SS**  83.3140.678.4-60.1-27.6000109.8
197A35.8Very low33.5Very low84 Ų84119.6 Ų119.669%0.69476%0.761SS**  cis-170.9157.7-20.500000107.2
198S31.3Very low33.4Very low123 Ų123113.6 Ų113.686%0.8676%0.757SS**  trans65.1134.7157.8-162.70000118.9
199G33.7Very low33.7Very low65 Ų65113.9 Ų113.967%0.6776%0.76SS**  trans-80.6175.8174.700000114.9
200T32.6Very low34.1Very low127 Ų127113.5 Ų113.578%0.77976%0.762SS**  trans-159.5103.7167-92.10000106.2
201V33.2Very low34.3Very low117 Ų117112.3 Ų112.371%0.70976%0.76SS**  44.8116.198.3-53.30000116.3
202N32.1Very low34.6Very low156 Ų156112.7 Ų112.783%0.83476%0.763SS**  trans26.3130.9139.9-47.1-3000117.5
203A33.5Very low34.8Very low86 Ų86114.1 Ų114.171%0.71176%0.762SS**  -176.5157.650.900000112.5
204S34.4Very low35.2Very low106 Ų106113 Ų11374%0.74175%0.754SS**  trans32.4131.8142-42.10000119.2
205T31.9Very low35.7Very low135 Ų135116.2 Ų116.283%0.82876%0.758SS**  177.4160.464-47.40000110
206A34.6Very low36.3Very low71 Ų71115.6 Ų115.659%0.58776%0.758SS**  trans85.7107.7147.500000121.1
207N37.3Very low37.2Very low167 Ų167118.2 Ų118.289%0.89377%0.765SS**  86.7134.7126.2-57.3-8.3000120.2
208G33.6Very low37.9Very low79 Ų79120.9 Ų120.981%0.81477%0.768SS**  trans142.977.4154.200000115
209S37.6Very low39Very low130 Ų130124.3 Ų124.391%0.90977%0.77SS**  trans-75.6128.1172-47.70000112.4
210A39.8Very low39.8Very low93 Ų93128.1 Ų128.177%0.76978%0.775SS**  trans-178.6118.1144.700000106.7
211A39Very low41Very low93 Ų93131 Ų13177%0.76978%0.78SS**  cis85.3109.548.300000113.3
212S39.1Very low41.8Very low114 Ų114132.4 Ų132.480%0.79778%0.784SS**  trans64.5159.3167.7-74.40000116.2
213D38.6Very low43Very low136 Ų136134.4 Ų134.473%0.72779%0.788SS**  cis-159.4168.815.5-138.317.7000112.2
214S42.3Very low43.8Very low75 Ų75137.2 Ų137.252%0.52479%0.791SS.*  trans53.6113.5149.4-67.20000119.5
215E43.8Very low44.3Very low166 Ų166139.8 Ų139.878%0.77680%0.796SS**  100.6115.380.8-85.3162.4-114.700109.7
216E46.8Very low45.3Very low160 Ų160142.1 Ų142.175%0.74880%0.798SS**  65.7110.395-60.1-72.3-167.900112.6
217E50.4Low45.9Very low200 Ų200147.4 Ų147.494%0.93581%0.81SS**  trans-166.4115.5144.7-111.2164.9-153.700109.2
218D49.8Very low46.4Very low139 Ų139148.1 Ų148.174%0.74381%0.809SS**  trans-73.4139.6169.4-51.2-76.4000110.1
219E55.8Low46.9Very low195 Ų195151.2 Ų151.291%0.91181%0.806SS**  trans-140.2109.4145.8-72.4-163.6147.400108.7
220D49.6Very low47.5Very low146 Ų146152.1 Ų152.178%0.78180%0.801SS**  trans-73.7131.3164.3-56.1-71.9000108.9
221E58.2Low47.9Very low187 Ų187156.5 Ų156.587%0.87481%0.805SS**  trans-128.9116.1155.8-75.3-164144.800109.1
222D49.4Very low48.2Very low147 Ų147160.7 Ų160.779%0.78681%0.809SS**  trans-73.9126.8174-54.5-74.5000110.1
223E57.2Low48.5Very low198 Ų198164 Ų16493%0.92581%0.812SS**  trans-117.885.7160.1-74.1-169.515500108.8
224D50Low48.6Very low145 Ų145165.7 Ų165.778%0.77582%0.815SS**  trans-75.2164.9156.7-81-40.4000110
225D45.9Very low48.6Very low159 Ų159170.3 Ų170.385%0.8583%0.829SS**  trans69.5138.1178.8-64.9-30.6000115.2
226E52.7Low48.5Very low185 Ų185169.1 Ų169.186%0.86483%0.828SS**  cis-130.4148.516.7-65.9176.4160.500111.8
227E48.1Very low48.3Very low181 Ų181169.9 Ų169.985%0.84683%0.832SS**  trans-83.1123.8168.5-63.4-168.4-178.100110.2D229E227-D229 PolarHBondContact O-N 3Å
228E47.1Very low47.8Very low183 Ų183168.9 Ų168.986%0.85583%0.827SS**  trans-90.694164.4-74.3-171.3147.900109.2D230E228-D230 PolarHBondContact O-N 3.32Å; E228-D230 VanDerWaalsContact O-N 3.07Å
229D44.5Very low47.4Very low144 Ų144171 Ų17177%0.7783%0.832SS**  trans-64.592.2160.1-95.9-36.7000108.6E227 E231E227-D229 PolarHBondContact O-N 3Å; D229-E231 PolarHBondContact O-N 3.28Å; D229-E231 VanDerWaalsContact O-N 3.15Å
230D50Low46.7Very low149 Ų149170.4 Ų170.480%0.79783%0.83SS**  trans-74.296.1164.7-96.6-26.3000108.6E228 E232E228-D230 PolarHBondContact O-N 3.32Å; E228-D230 VanDerWaalsContact O-N 3.07Å; D230-E232 PolarHBondContact O-N 3.49Å; D230-E232 VanDerWaalsContact O-N 3.16Å
231E47.6Very low46.4Very low184 Ų184172.4 Ų172.486%0.8683%0.834SS**  trans-61110.7174-65.3-175.7153.300110.4D229 E233D229-E231 PolarHBondContact O-N 3.28Å; D229-E231 VanDerWaalsContact O-N 3.15Å; E231-E233 PolarHBondContact O-N 3.46Å; E231-E233 VanDerWaalsContact O-N 3.17Å
232E44.7Very low45.7Very low182 Ų182171.9 Ų171.985%0.8583%0.832SS**  trans-67110.5173.6-67.8-171.3153.400110.5D230 E234D230-E232 PolarHBondContact O-N 3.49Å; D230-E232 VanDerWaalsContact O-N 3.16Å; E232-E234 PolarHBondContact O-N 2.85Å
233E46.1Very low45.5Very low184 Ų184174 Ų17486%0.8684%0.837SS**  trans-68.995.7170.7-73.1-173.4143.300110.5E231 E235E231-E233 PolarHBondContact O-N 3.46Å; E231-E233 VanDerWaalsContact O-N 3.17Å; E233-E235 PolarHBondContact O-N 2.95Å; E233-E235 VanDerWaalsContact O-N 3.12Å
234E41.8Very low45.3Very low170 Ų170173 Ų17379%0.79483%0.832SS**  trans-71.895.5164.4-73.2-144.1-146.700110.6E232 D236E232-E234 PolarHBondContact O-N 2.85Å; E234-D236 PolarHBondContact O-N 3.12Å
235E40.5Very low45.2Very low172 Ų172173.1 Ų173.180%0.80483%0.831SS**  trans-78.995.4164-77.2-165.6139.900110.7E233 E237E233-E235 PolarHBondContact O-N 2.95Å; E233-E235 VanDerWaalsContact O-N 3.12Å; E235-E237 PolarHBondContact O-N 2.73Å; E235-E237 VanDerWaalsContact O-N 3.09Å
236D42.9Very low45.5Very low142 Ų142172 Ų17276%0.75983%0.825SS**  trans-59.599.3161.8-84.7-46000110.9E234E234-D236 PolarHBondContact O-N 3.12Å
237E42Very low45.4Very low176 Ų176169.6 Ų169.682%0.82282%0.823SS**  trans-106.678.6159.6-74-161.215400111.1E235 E239E235-E237 PolarHBondContact O-N 2.73Å; E235-E237 VanDerWaalsContact O-N 3.09Å; E237-E239 PolarHBondContact O-N 2.9Å
238E40.8Very low45.2Very low179 Ų179166.1 Ų166.184%0.83681%0.814SS**  trans-70.196.1157.3-70-170.2148.200110.1
239E40.4Very low45.1Very low182 Ų182163.8 Ų163.885%0.8581%0.812SS**  trans-113.695.6156.1-73.6-156.6153.500111E237 E241E237-E239 PolarHBondContact O-N 2.9Å; E239-E241 PolarHBondContact O-N 3.38Å
240E41.9Very low44.8Very low184 Ų184164 Ų16486%0.8682%0.818SS**  trans-69110.3159.3-62.6-176.2134.100109.5
241E43.6Very low44.3Very low187 Ų187164.3 Ų164.387%0.87482%0.815SS**  trans-105.9102.3155.5-86.8-158.4142.700110.6E239 E243E239-E241 PolarHBondContact O-N 3.38Å; E241-E243 PolarHBondContact O-N 3.13Å
242E41.6Very low43.9Very low176 Ų176164 Ų16482%0.82281%0.811SS**  trans-67.7108164.3-62.7-174.7124.200109.9E244E242-E244 PolarHBondContact O-N 3.47Å
243E46.3Very low43.6Very low193 Ų193165.2 Ų165.290%0.90281%0.808SS**  trans-72.176.4160.6-80.1-161.714700110.1E241 I245E241-E243 PolarHBondContact O-N 3.13Å; E243-I245 PolarHBondContact O-N 3.02Å
244E53.3Low43.1Very low175 Ų175167.7 Ų167.782%0.81881%0.809SS**  trans-69.3122163.9-172174.1-153.800109.7E242 D246E242-E244 PolarHBondContact O-N 3.47Å; E244-D246 PolarHBondContact O-N 2.97Å
245I46.4Very low42.6Very low149 Ų149164.5 Ų164.576%0.76481%0.806SS**  trans-82.486.7-175.3-45.1171.3000109.2E243 V247E243-I245 PolarHBondContact O-N 3.02Å; I245-V247 WeakPolarHBondContact O-CG2 3.41Å; I245-V247 PolarHBondContact O-N 3.15Å
246D53.6Low42.1Very low134 Ų134163.2 Ų163.272%0.71781%0.81SS**  trans-64.8106.7179-175.725.5000112.3E244 V248E244-D246 PolarHBondContact O-N 2.97Å; D246-V248 PolarHBondContact O-N 3.49Å; D246-V248 VanDerWaalsContact O-N 3.16Å; D246-V248 WeakPolarHBondContact OD1-CG2 3.44Å
247V49.7Very low41.9Very low136 Ų136164.2 Ų164.282%0.82481%0.813SS**  trans-87.673178.7-172.20000110.1I245I245-V247 WeakPolarHBondContact O-CG2 3.41Å; I245-V247 PolarHBondContact O-N 3.15Å
248V44.6Very low41.3Very low107 Ų107161.5 Ų161.565%0.64881%0.814SS**  trans-119.1131.2171.3178.30000113.2D246D246-V248 PolarHBondContact O-N 3.49Å; D246-V248 VanDerWaalsContact O-N 3.16Å; D246-V248 WeakPolarHBondContact OD1-CG2 3.44Å
249T44.9Very low41.1Very low134 Ų134162.7 Ų162.782%0.82282%0.816SS**  trans-61.3142.9-177.648.90000114.3E251T249-E251 PolarHBondContact O-N 3.35Å
250V37.7Very low40.7Very low149 Ų149160.6 Ų160.690%0.90382%0.816SS**  trans-72.9107.2-174.6-174.60000113.7
251E38.9Very low40.2Very low156 Ų156157.1 Ų157.173%0.72981%0.812SS**  trans-145.783.2153.5-154.5-175.7156.600116.5T249 R253T249-E251 PolarHBondContact O-N 3.35Å; E251-R253 IonicContact OE1-NH2 2.74Å; E251-R253 PolarHBondContact OE1-NH2 3.49Å
252K41Very low40.6Very low177 Ų177153.6 Ų153.677%0.7781%0.806SS**  trans20.1108.7133.4-175.2-174175.4179.80119.4
253R37.9Very low40.1Very low207 Ų207153 Ų15378%0.78181%0.805SS**  179.8117.5124.9-102.4166.6-89.4-157.50.9117.1E251E251-R253 IonicContact OE1-NH2 2.74Å; E251-R253 PolarHBondContact OE1-NH2 3.49Å
254R35.1Very low39.3Very low237 Ų237149.1 Ų149.189%0.89479%0.794SS**  trans52.2105.6135.4-137.3-179.1-171.4-141.71.3122.9
255S31.5Very low38.4Very low103 Ų103146.6 Ų146.672%0.7279%0.791SS**  trans42.7122.9136.4-47.50000122.5
256T30.5Very low37.7Very low144 Ų144142.5 Ų142.588%0.88379%0.785SS**  170.1164.110435.70000112.8
257I38.7Very low36.8Very low163 Ų163144.5 Ų144.584%0.83679%0.794SS**  trans-74.3138.6-176.5-172.1171.7000114.4
258S29.2Very low36.1Very low119 Ų119141 Ų14183%0.83279%0.786SS**  trans-173.8148.3139.6480000113.5
259K36.1Very low35.6Very low204 Ų204142.3 Ų142.389%0.88779%0.794SS**  trans-107.5119.8-177.2163.3-176.6178.7169.60109.7
260T32Very low35Very low138 Ų138143.1 Ų143.185%0.84779%0.792SS**  trans-166.5131.7156.243.10000111.8
261S31.3Very low34.6Very low112 Ų112141.4 Ų141.478%0.78379%0.785SS**  trans-105.2-178151.463.30000108.1
262P53Low34.4Very low113 Ų113140 Ų14073%0.73479%0.787SS**  cis-135.7-161.7-3.341.7-23000114
263M30.5Very low34.3Very low163 Ų163139.2 Ų139.280%0.80379%0.791SS**  trans116.5122.2140.9-112.3-17977.700121.2
264T30.1Very low34.8Very low111 Ų111135.5 Ų135.568%0.68179%0.794SS**  96.5135.4126.6-155.40000123.2
265T33.5Very low34.8Very low122 Ų122133.7 Ų133.775%0.74879%0.792SS**  trans85.5115.5157.4-26.70000115.5
266G31.7Very low34.9Very low63 Ų63134.4 Ų134.465%0.64980%0.797SS**  cis111.5113.41.600000113.3
267I34.9Very low35.1Very low177 Ų177135.4 Ų135.491%0.90879%0.792SS**  trans176.4135.6163.4-89143.3000105.3
268G34.3Very low35.2Very low62 Ų62134.4 Ų134.464%0.63979%0.789SS**  cis13184.6-9.500000115.1
269T34.1Very low35.7Very low135 Ų135133.9 Ų133.983%0.82879%0.791SS**  trans178125.9158.426.50000107.1
270I33.3Very low36Very low151 Ų151136.6 Ų136.677%0.77480%0.796SS**  cis77.510530.6-46.9174000115
271C29.5Very low36Very low112 Ų112133.8 Ų133.876%0.75779%0.794SS**  trans168.299.9131.2-96.50000111.1
272V33.8Very low36.4Very low128 Ų128136.6 Ų136.678%0.77680%0.799SS**  71.7123.695.1-59.80000118.5
273N38.5Very low35.7Very low159 Ų159138 Ų13885%0.8581%0.805SS**  trans-87.5164.6162-67.75.3000111.1
274P49.2Very low36.1Very low130 Ų130135.8 Ų135.884%0.84481%0.806SS**  trans-113.4171.4147.235.9-27000113
275K34.3Very low36.2Very low198 Ų198134.3 Ų134.386%0.86181%0.812SS**  trans-142.2137.1-161.9166.7176.6175.9172.20111.9
276S34Very low36.2Very low118 Ų118134.8 Ų134.883%0.82582%0.82SS**  trans176.6156.815942.70000108.6
277Q34.7Very low36.2Very low165 Ų165134.8 Ų134.877%0.77182%0.821SS**  cis152.9121.9-31.7-175.4173.413.900107.6
278D41.9Very low36.2Very low143 Ų143132.9 Ų132.977%0.76582%0.817SS**  trans18.4131.7160.6-52.4-53.2000123.3
279A39.3Very low36.5Very low107 Ų107136.1 Ų136.188%0.88482%0.824SS**  trans-156.3133137.800000112.3
280R43Very low36.4Very low261 Ų261133.6 Ų133.699%0.98581%0.812SS**  trans-106.5143.8164.1-78.1178.6169.2148.4-4.1109.2
281G31.6Very low36.7Very low79 Ų79137.4 Ų137.481%0.81482%0.817SS**  trans-168.9140175.200000113.1
282I40Very low36.8Very low172 Ų172140.6 Ų140.688%0.88282%0.818SS**  trans-109.5141-166.7-64.6160.2000111
283V37.4Very low37.1Very low142 Ų142142.2 Ų142.286%0.86182%0.821SS**  trans-155.6144.9141.573.90000111.6
284S38.2Very low37Very low117 Ų117140 Ų14082%0.81882%0.817SS**  trans-100152179.2-174.80000111.4
285G32.5Very low36.5Very low79 Ų79145 Ų14581%0.81482%0.819SS**  trans-166.410617800000113.2
286S34.6Very low36.7Very low132 Ų132139.3 Ų139.392%0.92381%0.809SS**  trans-100145175.1177.80000110.8
287G32Very low37Very low64 Ų64139.9 Ų139.966%0.6681%0.811SS**  trans151.288.3163.500000118.6
288V34.4Very low37.1Very low137 Ų137139.9 Ų139.983%0.8381%0.81SS**  trans43.1122131.3-173.10000120
289V39.8Very low37Very low129 Ų129141.6 Ų141.678%0.78281%0.814SS**  -173.8136.2111.2153.50000109.9
290S33Very low37.1Very low83 Ų83144.6 Ų144.658%0.5881%0.814SS**  trans-74.5148175.7175.10000113.5
291R38.6Very low37.4Very low231 Ų231139.5 Ų139.587%0.87281%0.805SS**  trans-144.8108.6150.1-163.4171.3-66.2174.41.1111.9
292F32.4Very low37.9Very low178 Ų178143.5 Ų143.578%0.78181%0.807SS**  trans-64.5135.7170.2-74-102.3000111.8
293I39.8Very low38.5Very low163 Ų163145 Ų14584%0.83681%0.807SS**  trans-137.8117.4145.4-61.3-174.9000107.9
294S35.9Very low38.9Very low111 Ų111149.7 Ų149.778%0.77681%0.809SS**  trans-74.6137.7175.5-51.40000111.6
295R39.5Very low39Very low235 Ų235149.5 Ų149.589%0.88781%0.808SS**  trans-148.5136.9153.4-150.4168.2-178.3175.2-1.4110.9
296A38Very low39.6Very low79 Ų79150.7 Ų150.765%0.65380%0.804SS**PPolyproline II helixtrans-63.3156.2-174.600000113Q298A296-Q298 PolarHBondContact O-N 3.34Å
297P40.4Very low39.9Very low131 Ų131150.5 Ų150.585%0.85180%0.797SS**PPolyproline II helixtrans-65.6126.4178.628.1-34.6000110.4
298Q36.8Very low40.6Very low164 Ų164155.5 Ų155.577%0.76680%0.802SS**PPolyproline II helixtrans-93.8129.2163-70.6-170.3-20.300108.2A296 L300A296-Q298 PolarHBondContact O-N 3.34Å; Q298-L300 PolarHBondContact O-N 3.36Å
299E38.8Very low41.2Very low180 Ų180157.1 Ų157.184%0.84180%0.801SS**PPolyproline II helixtrans-62.2127.8-179.1-60.6-174.7156.200110.7I301E299-I301 VanDerWaalsContact C-N 3.33Å; E299-I301 PolarHBondContact O-N 3.11Å
300L42.8Very low41.7Very low169 Ų169158.2 Ų158.289%0.88580%0.798SS**  trans-76.986.5176.1-67175.5000109.4Q298 L302Q298-L300 PolarHBondContact O-N 3.36Å; L300-L302 PolarHBondContact O-N 2.84Å; L300-L302 VanDerWaalsContact O-N 3.1Å
301I48.5Very low42.5Very low154 Ų154162.3 Ų162.379%0.7981%0.807SS**  trans-60.1114.6173.3-62173.2000108.8E299 K303E299-I301 VanDerWaalsContact C-N 3.33Å; E299-I301 PolarHBondContact O-N 3.11Å; I301-K303 PolarHBondContact O-N 3.33Å
302L42.8Very low42.7Very low163 Ų163157.7 Ų157.785%0.85380%0.796SS**  trans-62.3110.2-179.5-140.673.9000109.8L300 R304L300-L302 PolarHBondContact O-N 2.84Å; L300-L302 VanDerWaalsContact O-N 3.1Å; L302-R304 PolarHBondContact O-N 3.13Å
303K52.2Low43.9Very low205 Ų205156.2 Ų156.289%0.89180%0.796SS**  trans-7095.8-175-168.5177.7-176.7-178.80110.1I301 S305I301-K303 PolarHBondContact O-N 3.33Å; K303-S305 PolarHBondContact O-N 2.95Å; K303-S305 VanDerWaalsContact O-N 3.14Å
304R45.6Very low44.3Very low240 Ų240159 Ų15991%0.90680%0.797SS**  trans-50.3116.9172.9-82179.1153.6-172.1-7.7110.5L302 S306L302-R304 PolarHBondContact O-N 3.13Å; R304-S306 PolarHBondContact O-N 2.93Å
305S39.8Very low45.2Very low113 Ų113158.1 Ų158.179%0.7980%0.797SS**  trans-70.7114.3167.537.40000109.3K303 V307K303-S305 PolarHBondContact O-N 2.95Å; K303-S305 VanDerWaalsContact O-N 3.14Å; S305-V307 PolarHBondContact O-N 3.17Å
306S45.7Very low45.7Very low104 Ų104151.1 Ų151.173%0.72779%0.789SS**  trans-77112.7169.5-178.50000108.5R304 H308R304-S306 PolarHBondContact O-N 2.93Å; S306-H308 PolarHBondContact O-N 3.46Å; S306-H308 VanDerWaalsContact O-N 3.11Å
307V41.6Very low46.5Very low128 Ų128153.2 Ų153.278%0.77680%0.796SS**  trans-66.1108.6170.3173.70000107.7S305 Q309S305-V307 PolarHBondContact O-N 3.17Å; V307-Q309 PolarHBondContact O-N 3.08Å; V307-Q309 VanDerWaalsContact O-N 3.13Å
308H45.6Very low46.7Very low168 Ų168152.1 Ų152.178%0.77879%0.792SS**  trans-70.7104170.4-11467.3000108.4S306 Q310S306-H308 PolarHBondContact O-N 3.46Å; S306-H308 VanDerWaalsContact O-N 3.11Å; H308-Q310 VanDerWaalsContact C-N 3.34Å; H308-Q310 PolarHBondContact O-N 3.31Å
309Q48.1Very low47.3Very low172 Ų172150.1 Ų150.180%0.80479%0.793SS**  trans-73.889.7174.1-166.5171.32700108.8V307 Q311V307-Q309 PolarHBondContact O-N 3.08Å; V307-Q309 VanDerWaalsContact O-N 3.13Å; Q309-Q311 PolarHBondContact O-N 2.72Å
310Q49.9Very low47.6Very low152 Ų152152 Ų15271%0.7179%0.794SS**  trans-63.3107.1172.3-88.3-175-21.800109.6H308 H312H308-Q310 VanDerWaalsContact C-N 3.34Å; H308-Q310 PolarHBondContact O-N 3.31Å; Q310-H312 PolarHBondContact O-N 3.43Å
311Q49.5Very low47.9Very low168 Ų168148.5 Ų148.579%0.78579%0.79SS**  trans-74.4111.5163.4-68-171.9-16.600108.3Q309 N313Q309-Q311 PolarHBondContact O-N 2.72Å; Q311-N313 PolarHBondContact O-N 3.25Å
312H43.8Very low47.6Very low135 Ų135145.7 Ų145.763%0.62578%0.784SS**  trans-74.2110.6176.7-72.9-88.3000110.3Q310 Y314Q310-H312 PolarHBondContact O-N 3.43Å; H312-Y314 HydrophobicContact CB-CD2 4.1Å; H312-Y314 HydrophobicContact CB-CE2 3.78Å; H312-Y314 PolarHBondContact O-N 2.86Å
313N55.8Low47.5Very low146 Ų146145.4 Ų145.478%0.78178%0.783SS**  trans-77.7101.7172.4-81.9-74.4000110.3Q311 A315Q311-N313 PolarHBondContact O-N 3.25Å; N313-A315 PolarHBondContact O-N 3.32Å
314Y48.6Very low47Very low222 Ų222144.1 Ų144.187%0.87179%0.786SS**  trans-79.838.5179.6-86.1-88.2000114.1H312H312-Y314 HydrophobicContact CB-CD2 4.1Å; H312-Y314 HydrophobicContact CB-CE2 3.78Å; H312-Y314 PolarHBondContact O-N 2.86Å
315A55.4Low46.8Very low92 Ų92138.8 Ų138.876%0.7678%0.775SS**  trans-140.433.2-17200000114.4N313N313-A315 PolarHBondContact O-N 3.32Å
316A50.6Low46.8Very low89 Ų89141.5 Ų141.574%0.73678%0.78SS**PPolyproline II helixtrans-100.5122.2174.200000111.1
317P53.7Low46.5Very low123 Ų123142.3 Ų142.380%0.79978%0.781SS**PPolyproline II helixtrans-63.9148.4173-22.534.3000113
318S45.5Very low46.8Very low107 Ų107141.7 Ų141.775%0.74878%0.779SS**PPolyproline II helixtrans-67.8129.6-179.7-175.20000112.3Y320S318-Y320 VanDerWaalsContact C-N 3.32Å; S318-Y320 PolarHBondContact O-N 3.15Å
319P49.8Very low47Very low122 Ų122139.2 Ų139.279%0.79278%0.778SS**SBendtrans-86.764.5-178.836.6-36.1000112
320Y43.8Very low47.3Very low219 Ų219135.8 Ų135.886%0.85977%0.771SS**  trans-15279.1163.2-133.5-87.1000111.3S318S318-Y320 VanDerWaalsContact C-N 3.32Å; S318-Y320 PolarHBondContact O-N 3.15Å
321A49.2Very low46.7Very low97 Ų97137.9 Ų137.980%0.80278%0.777SS**  trans-142.896.9174.500000110.3
322S41.8Very low45.9Very low95 Ų95138.4 Ų138.466%0.66478%0.777SS**  trans-173.3100.7163.153.70000105.5
323D41.5Very low45.5Very low157 Ų157140 Ų14084%0.8479%0.785SS**  79.5108.188.2-76.6-51.6000112.5
324D41.6Very low44.3Very low177 Ų177141 Ų14195%0.94778%0.782SS**  trans-156.5142.3136.9-121.8-42.8000110
325D41.9Very low43.3Very low128 Ų128136.1 Ų136.168%0.68478%0.776SS**  trans-126.2127.5-158.1169.833.8000111.9
326L39.5Very low42.1Very low171 Ų171136.1 Ų136.190%0.89577%0.77SS**  trans-149.8151.7161.4-78.3-172.2000113.2
327T38.8Very low41.1Very low121 Ų121140.6 Ų140.674%0.74278%0.776SS**  trans-99.8167.7-152.540.20000116.8
328P47.7Very low40Very low114 Ų114140.6 Ų140.674%0.7477%0.774SS**  trans-97.7-160.8-17243.4-39.4000112.5
329P51.3Low39.2Very low116 Ų116140.5 Ų140.575%0.75377%0.773SS**  cis-131.2-134.3-3.241.3-18.2000111.2
330P53.2Low38.4Very low101 Ų101146 Ų14666%0.65678%0.778SS**  cis-137.1152.2-2635.5-15.6000118.6
331K37.1Very low38.3Very low195 Ų195140.5 Ų140.585%0.84877%0.769SS**  trans44.7129.3139.2-58.2174.3-179.3176.30122.4
332K33.8Very low38Very low179 Ų179141.5 Ų141.578%0.77877%0.768SS**  170.6138.2115.3-96.5163.9-178.5178.60115.8
333Q35.6Very low37.4Very low168 Ų168144.4 Ų144.479%0.78577%0.774SS**  trans63.7156.4140.3-66.9170-54.300118.5
334K29.7Very low37Very low168 Ų168148.6 Ų148.673%0.7378%0.778SS**  cis-174153.2-15163177170.3179.60107.5
335T28.1Very low36.3Very low120 Ų120146.4 Ų146.474%0.73677%0.771SS**  trans62.8153.6168.539.30000116.8
336S30.7Very low35.7Very low92 Ų92145.9 Ų145.964%0.64378%0.778SS**  cis-167.3157.2-3.738.50000109.7
337E28.7Very low35.4Very low183 Ų183143.9 Ų143.986%0.85578%0.778SS**  trans35.3145138.1-61.8177.5157.100121.4
338T30.2Very low34.9Very low122 Ų122143.8 Ų143.875%0.74878%0.782SS**  cis-176.1177.4-4.9-1760000109.8
339S29.7Very low34.2Very low106 Ų106144.3 Ų144.374%0.74179%0.789SS**  trans79.7103156.2-62.40000123
340R32.7Very low33.3Very low236 Ų236144 Ų14489%0.89179%0.789SS**  trans-52.6-176.2141.4-113.9-170.6163.6-160.4-0.2113.3
341P42.2Very low32.3Very low104 Ų104146.3 Ų146.368%0.67580%0.802SS**  cis-132-131.5-22.437.4-13.7000111.8
342P42.8Very low32Very low118 Ų118143 Ų14377%0.76680%0.803SS**  trans-121.8177.7-134.235-10.9000115.9
343I27.7Very low32.2Very low156 Ų156139.8 Ų139.880%0.880%0.804SS**  trans-122.9134.2160.5-58.8172.3000106.9
344R33.6Very low32.2Very low245 Ų245137 Ų13793%0.92580%0.803SS**  trans-162.9123.4134.6-104.5-178.295.7-177.37.5110.1
345T27.7Very low32.5Very low131 Ų131135 Ų13580%0.80481%0.809SS**  trans-81.6152.6168.341.70000109.9
346S28.6Very low32.8Very low117 Ų117134.7 Ų134.782%0.81881%0.812SS**  trans-129.5128.9160.855.60000108.2
347S32.6Very low32.9Very low129 Ų129135 Ų13590%0.90281%0.814SS**  trans-69.1148.2-176.238.60000112.8
348S29.9Very low33.2Very low119 Ų119132.4 Ų132.483%0.83281%0.81SS**  trans-110.3135.3173.456.10000110.8
349S33.2Very low33.4Very low125 Ų125132.1 Ų132.187%0.87481%0.813SS**  trans-143.6150.8151.960.20000109.4
350S32.2Very low34Very low109 Ų109131.4 Ų131.476%0.76281%0.814SS**  trans-148.2128.7-153.655.80000112.6
351T31Very low34.9Very low150 Ų150125.5 Ų125.592%0.9281%0.806SS**  trans-156.1117.1161.541.60000111.4
352S31.9Very low34.7Very low126 Ų126126 Ų12688%0.88181%0.812SS**  trans-162.7125.7157.9600000110.1
353S36.8Very low34.6Very low112 Ų112128.6 Ų128.678%0.78382%0.818SS**  trans-117.2137-178.826.40000112.4
354S36.4Very low35.4Very low110 Ų110125.7 Ų125.777%0.76982%0.817SS**  trans52.5115.2152.358.10000120.8
355S35.1Very low35.6Very low124 Ų124117.9 Ų117.987%0.86781%0.812SS**  -169.6154.9102.829.50000113.4
356S35.2Very low36.2Very low114 Ų114116.5 Ų116.580%0.79781%0.814SS**  trans-79.4175-179.244.20000112.4
357C32.5Very low37.2Very low100 Ų100123.1 Ų123.168%0.67682%0.821SS**  cis-166164.824.335.70000112.8
358T35.1Very low37.8Very low127 Ų127122 Ų12278%0.77981%0.813SS**  trans59138.4148.947.10000120.4
359S34.3Very low39.1Very low116 Ų116126.1 Ų126.181%0.81182%0.816SS**  cis-157.9167.53.1-80.80000110.4
360A41.7Very low39.7Very low92 Ų92129.7 Ų129.776%0.7681%0.811SS**  trans-106.4-171.7177.800000111.9
361P53Low40.8Very low112 Ų112130.4 Ų130.473%0.72782%0.816SS**  cis-135.5170.7-11.631.9-9.9000116.7
362S36.9Very low41.6Very low113 Ų113127.8 Ų127.879%0.7980%0.8SS**  trans27127.8144.7-49.20000123.6
363I42.2Very low42.2Very low174 Ų174127.1 Ų127.189%0.89280%0.795SS**  -148.8148.1123.8-67.4-160.4000109
364A43.7Very low43Very low95 Ų95125.5 Ų125.579%0.78580%0.795SS**  trans-91.8153.8-176.900000115.2
365G37.6Very low43.3Very low80 Ų80126.6 Ų126.683%0.82579%0.793SS**  trans93.5115.4141.900000119
366A40.6Very low44.2Very low102 Ų102126.4 Ų126.484%0.84379%0.791SS**  trans-169.5132.6131.200000111.1
367R50.4Low45.1Very low256 Ų256123.6 Ų123.697%0.96677%0.772SS**  trans-73.1134.7163.5-73.3169155.1177.9-7.2108.8
368S44.3Very low46Very low105 Ų105124.9 Ų124.973%0.73478%0.779SS**  trans-143105.9159.1-142.10000111.3
369K56.1Low47.1Very low207 Ų207128.7 Ų128.790%0.978%0.779SS**  trans-76.2120.7161.9-63.5179.9178.4-175.30106.6
370R46.4Very low48.1Very low200 Ų200126 Ų12676%0.75577%0.769SS**  trans-142.592.2169.4-158174.5-93.1-108.55.3110.5T372R370-T372 HydrophobicContact CG-CG2 4.14Å; R370-T372 PolarHBondContact O-N 2.98Å
371S55Low48.8Very low124 Ų124125.5 Ų125.587%0.86776%0.76SS**  trans-72111.3163-44.80000107.9
372T47.7Very low49.2Very low95 Ų95124.4 Ų124.458%0.58376%0.756SS**  trans-147.4131.3169.741.80000111.1R370R370-T372 HydrophobicContact CG-CG2 4.14Å; R370-T372 PolarHBondContact O-N 2.98Å
373S45.7Very low50.9Low112 Ų112124.2 Ų124.278%0.78375%0.745SS**  trans55.2118.7152.954.70000118.2D375S373-D375 PolarHBondContact O-N 2.72Å
374G52.8Low52.6Low77 Ų77119 Ų11979%0.79472%0.724SS**  trans-64.1133.3170.600000112.2
375D42.7Very low54.6Low134 Ų134120 Ų12072%0.71771%0.713SS**  trans-90.496.2159-179.843.2000108.2S373 S377S373-D375 PolarHBondContact O-N 2.72Å; D375-S377 VanDerWaalsContact CG-OG 3.3Å; D375-S377 PolarHBondContact O-N 3.01Å; D375-S377 PolarHBondContact OD1-OG 3.28Å; D375-S377 WeakPolarHBondContact OD2-CB 3.3Å; D375-S377 PolarHBondContact OD2-OG 2.98Å
376S55Low57.3Low119 Ų119119.7 Ų119.783%0.83269%0.692SS**  trans-78.758.5171.4-62.50000110.3P378S376-P378 WeakPolarHBondContact O-CD 3.47Å
377S52.8Low59.8Low55 Ų55117 Ų11739%0.38567%0.667SS.*  trans-68.1121171.9-920000109.9D375 R379D375-S377 VanDerWaalsContact CG-OG 3.3Å; D375-S377 PolarHBondContact O-N 3.01Å; D375-S377 PolarHBondContact OD1-OG 3.28Å; D375-S377 WeakPolarHBondContact OD2-CB 3.3Å; D375-S377 PolarHBondContact OD2-OG 2.98Å; S377-R379 PolarHBondContact O-N 3.34Å
378P53Low62Low128 Ų128109 Ų10983%0.83164%0.641SS**  trans-78.861.8-178.733.9-36.4000111.5S376 G380S376-P378 WeakPolarHBondContact O-CD 3.47Å; P378-G380 VanDerWaalsContact C-N 3.33Å
379R57.6Low64.5Low207 Ų207112.4 Ų112.478%0.78164%0.638SS**THydrogen-bonded Turntrans-86.90.1180-64.1-177.782.8-154.22.6114S377 S381 S382S377-R379 PolarHBondContact O-N 3.34Å; R379-S381 PolarHBondContact O-N 3.05Å; R379-S381 VanDerWaalsContact O-N 3.11Å; R379-S382 PolarHBondContact O-N 3.18Å
380G54.4Low66.4Low59 Ų59108.4 Ų108.461%0.60862%0.617SS**Hα-helixtrans-62.3-14.4-18000000115.7P378 S384P378-G380 VanDerWaalsContact C-N 3.33Å; G380-S384 PolarHBondContact O-OG 2.82Å
381S56.2Low68.9Low81 Ų81106 Ų10657%0.56661%0.608SS**Hα-helixtrans-74.7-26.6177.6-167.70000114R379 S384 E385R379-S381 PolarHBondContact O-N 3.05Å; R379-S381 VanDerWaalsContact O-N 3.11Å; S381-S384 WeakPolarHBondContact CA-OG 3.5Å; S381-S384 PolarHBondContact O-OG 3.36Å; S381-E385 PolarHBondContact O-N 3.4Å
382S62Low70.9Confident90 Ų90103.6 Ų103.663%0.62959%0.585SS**Hα-helixtrans-78.9-32.3-175.4-169.50000112.5R379 D386R379-S382 PolarHBondContact O-N 3.18Å; S382-D386 PolarHBondContact O-N 3.48Å
383D72.8Confident73.3Confident108 Ų108105 Ų10558%0.57859%0.585SS**Hα-helixtrans-78.7-30.4178.2-174.362.8000111.8S387D383-S387 VanDerWaalsContact O-CB 3.26Å; D383-S387 WeakPolarHBondContact O-CB 3.27Å; D383-S387 PolarHBondContact O-N 3.37Å; D383-S387 PolarHBondContact O-OG 2.98Å
384S78.3Confident75.8Confident64 Ų64104 Ų10445%0.44857%0.571SS.*Hα-helixtrans-67.2-40172.254.50000112.6G380 S381 S387 E388G380-S384 PolarHBondContact O-OG 2.82Å; S381-S384 WeakPolarHBondContact CA-OG 3.5Å; S381-S384 PolarHBondContact O-OG 3.36Å; S384-S387 PolarHBondContact O-N 3.1Å; S384-E388 WeakPolarHBondContact O-CB 3.36Å; S384-E388 PolarHBondContact O-N 3.32Å
385E85.8Confident78Confident117 Ų117104.1 Ų104.155%0.54755%0.553SS.*Hα-helixtrans-68-37.9176.6-73.1-164131.100112.5S381 R389S381-E385 PolarHBondContact O-N 3.4Å; E385-R389 VanDerWaalsContact O-CG 3.28Å; E385-R389 WeakPolarHBondContact O-CG 3.25Å; E385-R389 PolarHBondContact O-N 2.99Å
386D93.3Very high80.7Confident74 Ų74103.6 Ų103.640%0.39655%0.549SS..Hα-helixtrans-66.6-43.2173.6179.573000112S382 E388 R389 R390S382-D386 PolarHBondContact O-N 3.48Å; D386-E388 VanDerWaalsContact C-N 3.33Å; D386-E388 PolarHBondContact O-N 2.76Å; D386-R389 PolarHBondContact O-N 3.18Å; D386-R390 PolarHBondContact O-N 3.09Å; D386-R390 IonicContact OD2-CZ 3.32Å; D386-R390 IonicContact OD2-NE 2.76Å; D386-R390 PolarHBondContact OD2-NE 3.17Å; D386-R390 IonicContact OD2-NH2 2.76Å; D386-R390 PolarHBondContact OD2-NH2 3.16Å
387S93.9Very high82.7Confident44 Ų44100.2 Ų100.231%0.30852%0.52SS..Hα-helixtrans-61.8-39.7175.7-64.30000112.2D383 S384 R390 R391D383-S387 VanDerWaalsContact O-CB 3.26Å; D383-S387 WeakPolarHBondContact O-CB 3.27Å; D383-S387 PolarHBondContact O-N 3.37Å; D383-S387 PolarHBondContact O-OG 2.98Å; S384-S387 PolarHBondContact O-N 3.1Å; S387-R390 PolarHBondContact O-N 3.26Å; S387-R390 PolarHBondContact OG-NH2 3.07Å; S387-R391 WeakPolarHBondContact O-CB 3.47Å; S387-R391 PolarHBondContact O-N 3.07Å
388E95.8Very high84.9Confident88 Ų88105.6 Ų105.641%0.41153%0.532SS..Hα-helixtrans-68.4-39.7174.3-167.957.2-13000111.6S384 D386 R391 N392S384-E388 WeakPolarHBondContact O-CB 3.36Å; S384-E388 PolarHBondContact O-N 3.32Å; D386-E388 VanDerWaalsContact C-N 3.33Å; D386-E388 PolarHBondContact O-N 2.76Å; E388-R391 WeakPolarHBondContact O-CB 3.44Å; E388-R391 PolarHBondContact O-N 3.11Å; E388-R391 IonicContact OE1-NH1 2.73Å; E388-N392 PolarHBondContact O-N 3.34Å; E388-N392 PolarHBondContact O-ND2 3.27Å; E388-N392 PolarHBondContact OE1-ND2 2.76Å
389R96.6Very high87.1Confident178 Ų178104.3 Ų104.367%0.67252%0.515SS*.Hα-helixtrans-59.9-47.2172.8-75.1171.6-173.4-81.1-2.4111.8E385 D386 R391 N392 H393E385-R389 VanDerWaalsContact O-CG 3.28Å; E385-R389 WeakPolarHBondContact O-CG 3.25Å; E385-R389 PolarHBondContact O-N 2.99Å; D386-R389 PolarHBondContact O-N 3.18Å; R389-R391 VanDerWaalsContact C-N 3.31Å; R389-R391 PolarHBondContact O-N 3.45Å; R389-N392 PolarHBondContact O-N 2.97Å; R389-H393 WeakPolarHBondContact O-CB 3.44Å; R389-H393 PolarHBondContact O-N 2.76Å
390R97.1Very high89.1Confident123 Ų123101.3 Ų101.346%0.46450%0.503SS..Hα-helixtrans-60.3-39.8174-77.8-174.1-81.1114.30.8111.7D386 S387 N394D386-R390 PolarHBondContact O-N 3.09Å; D386-R390 IonicContact OD2-CZ 3.32Å; D386-R390 IonicContact OD2-NE 2.76Å; D386-R390 PolarHBondContact OD2-NE 3.17Å; D386-R390 IonicContact OD2-NH2 2.76Å; D386-R390 PolarHBondContact OD2-NH2 3.16Å; S387-R390 PolarHBondContact O-N 3.26Å; S387-R390 PolarHBondContact OG-NH2 3.07Å; R390-N394 WeakPolarHBondContact O-CB 3.46Å; R390-N394 PolarHBondContact O-N 3.12Å; R390-N394 PolarHBondContact O-ND2 3.04Å
391R97.8Very high91.2Very high148 Ų148103.9 Ų103.956%0.55850%0.495SS*.Hα-helixtrans-61.8-49.7176.2-173.3176.9-174.7-84.4-5.1111.7S387 E388 R389 N394 I395S387-R391 WeakPolarHBondContact O-CB 3.47Å; S387-R391 PolarHBondContact O-N 3.07Å; E388-R391 WeakPolarHBondContact O-CB 3.44Å; E388-R391 PolarHBondContact O-N 3.11Å; E388-R391 IonicContact OE1-NH1 2.73Å; R389-R391 VanDerWaalsContact C-N 3.31Å; R389-R391 PolarHBondContact O-N 3.45Å; R391-N394 PolarHBondContact O-N 3.13Å; R391-I395 HydrophobicContact CG-CD1 4.11Å; R391-I395 WeakPolarHBondContact O-CG1 3.43Å; R391-I395 PolarHBondContact O-N 3.05Å
392N98Very high93.2Very high75 Ų75103.3 Ų103.340%0.40149%0.485SS..Hα-helixtrans-63.8-43.4179.3-76.5-79.2000112.3E388 R389 N394 I395 L396E388-N392 PolarHBondContact O-N 3.34Å; E388-N392 PolarHBondContact O-ND2 3.27Å; E388-N392 PolarHBondContact OE1-ND2 2.76Å; R389-N392 PolarHBondContact O-N 2.97Å; N392-N394 VanDerWaalsContact C-N 3.33Å; N392-N394 PolarHBondContact O-N 3.41Å; N392-I395 PolarHBondContact O-N 3.3Å; N392-I395 VanDerWaalsContact O-N 3.16Å; N392-L396 WeakPolarHBondContact O-CG 3.41Å; N392-L396 PolarHBondContact O-N 3.29Å
393H98.3Very high94.9Very high124 Ų124102.7 Ų102.757%0.57448%0.475SS*.Hα-helixtrans-56.6-45.4173.4177.8-90.8000112.2R389 I395 L396 E397R389-H393 WeakPolarHBondContact O-CB 3.44Å; R389-H393 PolarHBondContact O-N 2.76Å; H393-I395 VanDerWaalsContact C-N 3.33Å; H393-I395 PolarHBondContact O-N 3.02Å; H393-L396 PolarHBondContact O-N 3.02Å; H393-E397 WeakPolarHBondContact O-CB 3.38Å; H393-E397 PolarHBondContact O-N 3.3Å
394N98.4Very high96.2Very high92 Ų92101 Ų10149%0.49247%0.465SS..Hα-helixtrans-65.5-32177.3-83-72.7000113.6R390 R391 N392 R398R390-N394 WeakPolarHBondContact O-CB 3.46Å; R390-N394 PolarHBondContact O-N 3.12Å; R390-N394 PolarHBondContact O-ND2 3.04Å; R391-N394 PolarHBondContact O-N 3.13Å; N392-N394 VanDerWaalsContact C-N 3.33Å; N392-N394 PolarHBondContact O-N 3.41Å; N394-R398 VanDerWaalsContact O-CB 3.29Å; N394-R398 WeakPolarHBondContact O-CB 3.36Å; N394-R398 PolarHBondContact O-N 3.24Å
395I98.6Very high97.1Very high79 Ų79103.9 Ų103.941%0.40547%0.467SS..Hα-helixtrans-67.9-50.1174.5-69.9163.9000109.9R391 N392 H393 E397 R398 Q399R391-I395 HydrophobicContact CG-CD1 4.11Å; R391-I395 WeakPolarHBondContact O-CG1 3.43Å; R391-I395 PolarHBondContact O-N 3.05Å; N392-I395 PolarHBondContact O-N 3.3Å; N392-I395 VanDerWaalsContact O-N 3.16Å; H393-I395 VanDerWaalsContact C-N 3.33Å; H393-I395 PolarHBondContact O-N 3.02Å; I395-E397 PolarHBondContact O-N 3.28Å; I395-R398 WeakPolarHBondContact O-CB 3.29Å; I395-R398 PolarHBondContact O-N 3.03Å; I395-R398 VanDerWaalsContact O-N 3.16Å; I395-Q399 PolarHBondContact O-N 3.38Å
396L98.4Very high97.7Very high122 Ų122101.5 Ų101.564%0.63946%0.463SS*.Hα-helixtrans-61.4-45.1179.8-67.6172.2000112.2N392 H393 R398 Q399 R400N392-L396 WeakPolarHBondContact O-CG 3.41Å; N392-L396 PolarHBondContact O-N 3.29Å; H393-L396 PolarHBondContact O-N 3.02Å; L396-R398 VanDerWaalsContact C-N 3.28Å; L396-R398 PolarHBondContact O-N 3.38Å; L396-Q399 WeakPolarHBondContact O-CB 3.2Å; L396-Q399 PolarHBondContact O-N 2.93Å; L396-R400 WeakPolarHBondContact O-CB 3.32Å; L396-R400 PolarHBondContact O-N 3.47Å
397E98.6Very high98Very high48 Ų48101.4 Ų101.422%0.22447%0.468CS..Hα-helixtrans-73.4-18.6177.9177.649.5-151.700112.8H393 I395 R400 R401H393-E397 WeakPolarHBondContact O-CB 3.38Å; H393-E397 PolarHBondContact O-N 3.3Å; I395-E397 PolarHBondContact O-N 3.28Å; E397-R400 IonicContact OE1-NH1 2.69Å; E397-R400 PolarHBondContact OE1-NH1 3.01Å; E397-R400 VanDerWaalsContact OE1-NH1 3.17Å; E397-R400 WeakPolarHBondContact OE2-CD 3.37Å; E397-R400 IonicContact OE2-CZ 2.73Å; E397-R400 IonicContact OE2-NE 2.64Å; E397-R400 IonicContact OE2-NH1 3.6Å; E397-R400 PolarHBondContact OE2-NH1 2.99Å; E397-R401 WeakPolarHBondContact O-CB 3.15Å; E397-R401 VanDerWaalsContact O-CG 3.31Å; E397-R401 WeakPolarHBondContact O-CG 3.34Å; E397-R401 PolarHBondContact O-N 3.17Å; E397-R401 PolarHBondContact O-NE 3.42Å; E397-R401 VanDerWaalsContact OE1-CD 3.31Å; E397-R401 WeakPolarHBondContact OE1-CD 3.13Å; E397-R401 VanDerWaalsContact OE1-CG 3.31Å; E397-R401 WeakPolarHBondContact OE1-CG 3.09Å; E397-R401 IonicContact OE1-CZ 2.7Å; E397-R401 IonicContact OE1-NE 3.72Å; E397-R401 PolarHBondContact OE1-NE 3.28Å; E397-R401 VanDerWaalsContact OE1-NE 3.15Å
398R98.7Very high98.2Very high168 Ų168101.1 Ų101.163%0.63446%0.461SS*.Hα-helixtrans-74.8-43.2166.2-177.7179.4-65.7170.5-0.6110.9N394 I395 L396 R401 N402N394-R398 VanDerWaalsContact O-CB 3.29Å; N394-R398 WeakPolarHBondContact O-CB 3.36Å; N394-R398 PolarHBondContact O-N 3.24Å; I395-R398 WeakPolarHBondContact O-CB 3.29Å; I395-R398 PolarHBondContact O-N 3.03Å; I395-R398 VanDerWaalsContact O-N 3.16Å; L396-R398 VanDerWaalsContact C-N 3.28Å; L396-R398 PolarHBondContact O-N 3.38Å; R398-R401 PolarHBondContact O-N 3.12Å; R398-N402 VanDerWaalsContact O-CG 3.29Å; R398-N402 PolarHBondContact O-N 3.33Å; R398-N402 PolarHBondContact O-OD1 3.47Å
399Q98.8Very high98.3Very high101 Ų101100.8 Ų100.847%0.47246%0.462SS..Hα-helixtrans-59.3-54176.9-172.158.74300110.4I395 L396 R401 N402 D403I395-Q399 PolarHBondContact O-N 3.38Å; L396-Q399 WeakPolarHBondContact O-CB 3.2Å; L396-Q399 PolarHBondContact O-N 2.93Å; Q399-R401 VanDerWaalsContact C-N 3.26Å; Q399-R401 PolarHBondContact O-N 2.97Å; Q399-R401 VanDerWaalsContact O-N 3.17Å; Q399-N402 CarbonylContact O-C 3.58Å; Q399-N402 WeakPolarHBondContact O-CA 3.45Å; Q399-N402 WeakPolarHBondContact O-CB 3.44Å; Q399-N402 PolarHBondContact O-N 2.97Å; Q399-D403 PolarHBondContact NE2-OD1 3.2Å; Q399-D403 VanDerWaalsContact O-CG 3.23Å; Q399-D403 PolarHBondContact O-N 3.4Å
400R98.8Very high98.4Very high145 Ų14596.1 Ų96.155%0.54745%0.453SS..Hα-helixtrans-51.6-41.6174.6177.2175.3165.7-82.2-8.8113.1L396 E397 N402 L404L396-R400 WeakPolarHBondContact O-CB 3.32Å; L396-R400 PolarHBondContact O-N 3.47Å; E397-R400 IonicContact OE1-NH1 2.69Å; E397-R400 PolarHBondContact OE1-NH1 3.01Å; E397-R400 VanDerWaalsContact OE1-NH1 3.17Å; E397-R400 WeakPolarHBondContact OE2-CD 3.37Å; E397-R400 IonicContact OE2-CZ 2.73Å; E397-R400 IonicContact OE2-NE 2.64Å; E397-R400 IonicContact OE2-NH1 3.6Å; E397-R400 PolarHBondContact OE2-NH1 2.99Å; R400-N402 VanDerWaalsContact C-N 3.34Å; R400-L404 VanDerWaalsContact O-CB 3.29Å; R400-L404 WeakPolarHBondContact O-CB 3.47Å; R400-L404 PolarHBondContact O-N 3.42Å
401R98.6Very high98.5Very high113 Ų11393.2 Ų93.243%0.42645%0.446SS..Hα-helixtrans-71.9-23.8176.3-79-176.6-77.1-179.2-9.9113.7E397 R398 Q399 R405E397-R401 WeakPolarHBondContact O-CB 3.15Å; E397-R401 VanDerWaalsContact O-CG 3.31Å; E397-R401 WeakPolarHBondContact O-CG 3.34Å; E397-R401 PolarHBondContact O-N 3.17Å; E397-R401 PolarHBondContact O-NE 3.42Å; E397-R401 VanDerWaalsContact OE1-CD 3.31Å; E397-R401 WeakPolarHBondContact OE1-CD 3.13Å; E397-R401 VanDerWaalsContact OE1-CG 3.31Å; E397-R401 WeakPolarHBondContact OE1-CG 3.09Å; E397-R401 IonicContact OE1-CZ 2.7Å; E397-R401 IonicContact OE1-NE 3.72Å; E397-R401 PolarHBondContact OE1-NE 3.28Å; E397-R401 VanDerWaalsContact OE1-NE 3.15Å; R398-R401 PolarHBondContact O-N 3.12Å; Q399-R401 VanDerWaalsContact C-N 3.26Å; Q399-R401 PolarHBondContact O-N 2.97Å; Q399-R401 VanDerWaalsContact O-N 3.17Å; R401-R405 VanDerWaalsContact O-CG 3.28Å; R401-R405 WeakPolarHBondContact O-CG 3.42Å; R401-R405 PolarHBondContact O-N 2.96Å; R401-R405 PolarHBondContact O-NH1 3.4Å
402N98.7Very high98.5Very high68 Ų6887.4 Ų87.436%0.36442%0.424SS..Hα-helixtrans-78.9-47.1172.6-69-12.2000110.4R398 Q399 R400 L404 R405 S406R398-N402 VanDerWaalsContact O-CG 3.29Å; R398-N402 PolarHBondContact O-N 3.33Å; R398-N402 PolarHBondContact O-OD1 3.47Å; Q399-N402 CarbonylContact O-C 3.58Å; Q399-N402 WeakPolarHBondContact O-CA 3.45Å; Q399-N402 WeakPolarHBondContact O-CB 3.44Å; Q399-N402 PolarHBondContact O-N 2.97Å; R400-N402 VanDerWaalsContact C-N 3.34Å; N402-L404 VanDerWaalsContact C-N 3.32Å; N402-L404 PolarHBondContact O-N 3.26Å; N402-R405 WeakPolarHBondContact O-CA 3.41Å; N402-R405 WeakPolarHBondContact O-CB 3.42Å; N402-R405 PolarHBondContact O-N 3.06Å; N402-R405 PolarHBondContact OD1-NH1 3.32Å; N402-R405 VanDerWaalsContact OD1-NH1 3.11Å; N402-S406 PolarHBondContact O-N 3.22Å; N402-S406 PolarHBondContact O-OG 3.15Å
403D98.7Very high98.5Very high77 Ų7787.7 Ų87.741%0.41243%0.426SS..Hα-helixtrans-56.9-47.2177.1-54-30.6000110.6Q399 R405 S406 S407Q399-D403 PolarHBondContact NE2-OD1 3.2Å; Q399-D403 VanDerWaalsContact O-CG 3.23Å; Q399-D403 PolarHBondContact O-N 3.4Å; D403-R405 VanDerWaalsContact C-N 3.31Å; D403-R405 PolarHBondContact O-N 2.9Å; D403-S406 WeakPolarHBondContact O-CB 3.48Å; D403-S406 PolarHBondContact O-N 2.83Å; D403-S406 VanDerWaalsContact O-N 3.11Å; D403-S407 PolarHBondContact O-N 2.89Å; D403-S407 PolarHBondContact O-OG 3.37Å
404L98.6Very high98.5Very high72 Ų7288 Ų8838%0.37743%0.427SS..Hα-helixtrans-59.8-37.5174.6-177.362.3000112.8R400 N402 S407 F408R400-L404 VanDerWaalsContact O-CB 3.29Å; R400-L404 WeakPolarHBondContact O-CB 3.47Å; R400-L404 PolarHBondContact O-N 3.42Å; N402-L404 VanDerWaalsContact C-N 3.32Å; N402-L404 PolarHBondContact O-N 3.26Å; L404-S407 PolarHBondContact O-N 3.49Å; L404-F408 HydrophobicContact CD1-CD2 4.09Å; L404-F408 HydrophobicContact CD1-CE2 3.91Å; L404-F408 HydrophobicContact CG-CD2 4.13Å; L404-F408 HydrophobicContact CG-CE2 4.14Å; L404-F408 VanDerWaalsContact O-CD2 3.31Å; L404-F408 WeakPolarHBondContact O-CD2 3.37Å; L404-F408 PolarHBondContact O-N 3.01Å; L404-F408 VanDerWaalsContact O-N 3.1Å
405R98.2Very high98.5Very high126 Ų12683.8 Ų83.848%0.47541%0.405SS..Hα-helixtrans-66-42.4174.7-78.1177.9-167.6105.4-9.7111.1R401 N402 D403 S407 F408 L409R401-R405 VanDerWaalsContact O-CG 3.28Å; R401-R405 WeakPolarHBondContact O-CG 3.42Å; R401-R405 PolarHBondContact O-N 2.96Å; R401-R405 PolarHBondContact O-NH1 3.4Å; N402-R405 WeakPolarHBondContact O-CA 3.41Å; N402-R405 WeakPolarHBondContact O-CB 3.42Å; N402-R405 PolarHBondContact O-N 3.06Å; N402-R405 PolarHBondContact OD1-NH1 3.32Å; N402-R405 VanDerWaalsContact OD1-NH1 3.11Å; D403-R405 VanDerWaalsContact C-N 3.31Å; D403-R405 PolarHBondContact O-N 2.9Å; R405-S407 VanDerWaalsContact C-N 3.35Å; R405-S407 PolarHBondContact O-N 3.12Å; R405-F408 PolarHBondContact O-N 3.41Å; R405-L409 WeakPolarHBondContact O-CG 3.44Å; R405-L409 PolarHBondContact O-N 2.88Å
406S98.6Very high98.5Very high66 Ų6683.7 Ų83.746%0.46241%0.41SS..Hα-helixtrans-59-45.6175-57.50000111.1N402 D403 F408 L409 T410N402-S406 PolarHBondContact O-N 3.22Å; N402-S406 PolarHBondContact O-OG 3.15Å; D403-S406 WeakPolarHBondContact O-CB 3.48Å; D403-S406 PolarHBondContact O-N 2.83Å; D403-S406 VanDerWaalsContact O-N 3.11Å; S406-F408 VanDerWaalsContact C-N 3.33Å; S406-F408 PolarHBondContact O-N 3.28Å; S406-L409 PolarHBondContact O-N 3.28Å; S406-L409 VanDerWaalsContact O-N 3.12Å; S406-T410 PolarHBondContact O-N 2.91Å; S406-T410 PolarHBondContact O-OG1 3.42Å
407S98.6Very high98.4Very high73 Ų7383 Ų8351%0.5140%0.403SS..Hα-helixtrans-58.3-41.1175-54.30000113.1D403 L404 R405 T410 L411D403-S407 PolarHBondContact O-N 2.89Å; D403-S407 PolarHBondContact O-OG 3.37Å; L404-S407 PolarHBondContact O-N 3.49Å; R405-S407 VanDerWaalsContact C-N 3.35Å; R405-S407 PolarHBondContact O-N 3.12Å; S407-T410 PolarHBondContact O-N 3.1Å; S407-L411 WeakPolarHBondContact O-CB 3.14Å; S407-L411 PolarHBondContact O-N 3.02Å
408F98.6Very high98.4Very high37 Ų3780.9 Ų80.916%0.16239%0.393CS..Hα-helixtrans-65.5-36.8175.1-93.4-75.7000113.1L404 R405 S406 R412 K426 I429 L430L404-F408 HydrophobicContact CD1-CD2 4.09Å; L404-F408 HydrophobicContact CD1-CE2 3.91Å; L404-F408 HydrophobicContact CG-CD2 4.13Å; L404-F408 HydrophobicContact CG-CE2 4.14Å; L404-F408 VanDerWaalsContact O-CD2 3.31Å; L404-F408 WeakPolarHBondContact O-CD2 3.37Å; L404-F408 PolarHBondContact O-N 3.01Å; L404-F408 VanDerWaalsContact O-N 3.1Å; R405-F408 PolarHBondContact O-N 3.41Å; S406-F408 VanDerWaalsContact C-N 3.33Å; S406-F408 PolarHBondContact O-N 3.28Å; F408-R412 WeakPolarHBondContact O-CB 3.34Å; F408-R412 PolarHBondContact O-N 3.24Å; F408-K426 HydrophobicContact CD1-CB 4.22Å; F408-K426 HydrophobicContact CD1-CG 4.08Å; F408-K426 HydrophobicContact CD2-CD 4.17Å; F408-K426 HydrophobicContact CD2-CG 4.48Å; F408-K426 HydrophobicContact CE1-CB 3.8Å; F408-K426 HydrophobicContact CE1-CD 4.37Å; F408-K426 HydrophobicContact CE1-CG 4.06Å; F408-K426 HydrophobicContact CE2-CD 3.98Å; F408-K426 HydrophobicContact CE2-CG 4.49Å; F408-K426 HydrophobicContact CG-CD 4.47Å; F408-K426 HydrophobicContact CG-CG 4.3Å; F408-K426 HydrophobicContact CZ-CB 4.12Å; F408-K426 HydrophobicContact CZ-CD 4.09Å; F408-K426 HydrophobicContact CZ-CG 4.29Å; F408-I429 HydrophobicContact CD1-CB 4.39Å; F408-I429 HydrophobicContact CD1-CD1 4.3Å; F408-I429 HydrophobicContact CD1-CG2 4.2Å; F408-L430 HydrophobicContact CE1-CD1 4.32Å; F408-L430 HydrophobicContact CE1-CD2 3.95Å; F408-L430 HydrophobicContact CE1-CG 3.94Å; F408-L430 HydrophobicContact CZ-CD1 4.33Å; F408-L430 HydrophobicContact CZ-CD2 4.33Å; F408-L430 HydrophobicContact CZ-CG 4.4Å
409L98.3Very high98.3Very high82 Ų8275 Ų7543%0.42938%0.381SS..Hα-helixtrans-68.1-47175.4-67.5170.4000110.7R405 S406 L411 R412 D413R405-L409 WeakPolarHBondContact O-CG 3.44Å; R405-L409 PolarHBondContact O-N 2.88Å; S406-L409 PolarHBondContact O-N 3.28Å; S406-L409 VanDerWaalsContact O-N 3.12Å; L409-L411 VanDerWaalsContact C-N 3.32Å; L409-L411 PolarHBondContact O-N 3.23Å; L409-R412 VanDerWaalsContact CD2-NH1 3.34Å; L409-R412 WeakPolarHBondContact O-CB 3.41Å; L409-R412 PolarHBondContact O-N 2.91Å; L409-D413 PolarHBondContact O-N 3.05Å
410T98.4Very high98.1Very high79 Ų7977.6 Ų77.649%0.48539%0.392SS..Hα-helixtrans-58-43.7174.5-56.80000111.7S406 S407 D413 H414S406-T410 PolarHBondContact O-N 2.91Å; S406-T410 PolarHBondContact O-OG1 3.42Å; S407-T410 PolarHBondContact O-N 3.1Å; T410-D413 PolarHBondContact O-N 3.12Å; T410-H414 PolarHBondContact O-N 3.31Å; T410-H414 PolarHBondContact O-ND1 3.3Å
411L98.6Very high98Very high62 Ų6273.6 Ų73.633%0.32538%0.382SS..Hα-helixtrans-61.9-47.1176.9-179.559.3000111.8S407 L409 D413 H414 V415 I429 L430 A433S407-L411 WeakPolarHBondContact O-CB 3.14Å; S407-L411 PolarHBondContact O-N 3.02Å; L409-L411 VanDerWaalsContact C-N 3.32Å; L409-L411 PolarHBondContact O-N 3.23Å; L411-D413 PolarHBondContact O-N 3.05Å; L411-H414 PolarHBondContact O-N 3.41Å; L411-H414 VanDerWaalsContact O-N 3.12Å; L411-V415 PolarHBondContact O-N 3.16Å; L411-I429 HydrophobicContact CB-CG2 4.24Å; L411-I429 HydrophobicContact CD2-CG2 3.91Å; L411-I429 HydrophobicContact CG-CG2 3.89Å; L411-L430 HydrophobicContact CD2-CD2 4.15Å; L411-A433 HydrophobicContact CD1-CB 3.92Å; L411-A433 HydrophobicContact CD2-CB 4.18Å; L411-A433 HydrophobicContact CG-CB 4.16Å
412R98.6Very high97.9Very high26 Ų2675.7 Ų75.710%0.09840%0.397CS..Hα-helixtrans-53.8-42.9175.3179.1-154.765.2-170.16.3111.8F408 L409 H414 V415 L418 N421 E422 I429F408-R412 WeakPolarHBondContact O-CB 3.34Å; F408-R412 PolarHBondContact O-N 3.24Å; L409-R412 VanDerWaalsContact CD2-NH1 3.34Å; L409-R412 WeakPolarHBondContact O-CB 3.41Å; L409-R412 PolarHBondContact O-N 2.91Å; R412-H414 PolarHBondContact O-N 3.24Å; R412-V415 PolarHBondContact O-N 3.29Å; R412-V415 VanDerWaalsContact O-N 3.08Å; R412-L418 HydrophobicContact CG-CB 3.86Å; R412-L418 WeakPolarHBondContact CG-O 3.39Å; R412-N421 WeakPolarHBondContact CD-O 3.5Å; R412-E422 PolarHBondContact NH1-O 3.46Å; R412-I429 HydrophobicContact CB-CD1 4.03Å; R412-I429 HydrophobicContact CB-CG1 4.13Å; R412-I429 HydrophobicContact CB-CG2 4.25Å; R412-I429 HydrophobicContact CG-CD1 4.4Å; R412-I429 HydrophobicContact CG-CG1 4.34Å
413D98.4Very high97.7Very high81 Ų8181.7 Ų81.743%0.43342%0.419SS..Hα-helixtrans-68.9-19.2-176.5-62.6-15.7000113.2L409 T410 L411L409-D413 PolarHBondContact O-N 3.05Å; T410-D413 PolarHBondContact O-N 3.12Å; L411-D413 PolarHBondContact O-N 3.05Å
414H98.1Very high97.7Very high130 Ų13078.7 Ų78.760%0.60241%0.406SS*.Hα-helixtrans-87.5-12.1172.8-69.875.1000113.5T410 L411 R412 P416 Y436T410-H414 PolarHBondContact O-N 3.31Å; T410-H414 PolarHBondContact O-ND1 3.3Å; L411-H414 PolarHBondContact O-N 3.41Å; L411-H414 VanDerWaalsContact O-N 3.12Å; R412-H414 PolarHBondContact O-N 3.24Å; H414-P416 WeakPolarHBondContact O-CD 2.9Å; H414-Y436 VanDerWaalsContact O-CE1 3.32Å; H414-Y436 WeakPolarHBondContact O-CE1 3.46Å
415V98.4Very high97.7Very high5 Ų577.9 Ų77.93%0.0341%0.409CS..SBendtrans-94.6109.6178.9176.80000108.7L411 R412 E417 L418 A419 K432 A433L411-V415 PolarHBondContact O-N 3.16Å; R412-V415 PolarHBondContact O-N 3.29Å; R412-V415 VanDerWaalsContact O-N 3.08Å; V415-E417 VanDerWaalsContact C-N 3.3Å; V415-E417 PolarHBondContact O-N 3.29Å; V415-L418 HydrophobicContact CB-CB 4.25Å; V415-L418 HydrophobicContact CG1-CB 4.1Å; V415-L418 HydrophobicContact CG1-CD1 4.16Å; V415-L418 HydrophobicContact CG1-CG 3.94Å; V415-L418 PolarHBondContact O-N 2.93Å; V415-A419 PolarHBondContact O-N 2.99Å; V415-K432 HydrophobicContact CG1-CB 3.83Å; V415-A433 HydrophobicContact CG2-CB 3.89Å
416P97.8Very high97.7Very high76 Ų7676.8 Ų76.849%0.49441%0.408SS..THydrogen-bonded Turntrans-57.6-38.6-169.1-27.836000114.3H414 L418 Y436H414-P416 WeakPolarHBondContact O-CD 2.9Å; P416-L418 VanDerWaalsContact C-N 3.26Å; P416-L418 PolarHBondContact O-N 3.11Å; P416-Y436 HydrophobicContact CG-CD2 4.45Å; P416-Y436 HydrophobicContact CG-CE1 4.23Å; P416-Y436 HydrophobicContact CG-CE2 3.79Å
417E97.1Very high97.7Very high109 Ų10979 Ų7951%0.50942%0.418SS..THydrogen-bonded Turntrans-65.4-27.2178-164-171.4145.500113V415 H420 K432V415-E417 VanDerWaalsContact C-N 3.3Å; V415-E417 PolarHBondContact O-N 3.29Å; E417-H420 PolarHBondContact O-CE1 2.93Å; E417-K432 VanDerWaalsContact CD-CE 3.48Å; E417-K432 WeakPolarHBondContact OE1-CE 3.15Å; E417-K432 IonicContact OE1-NZ 2.73Å; E417-K432 PolarHBondContact OE1-NZ 3.38Å; E417-K432 WeakPolarHBondContact OE2-CD 3.28Å; E417-K432 WeakPolarHBondContact OE2-CE 3.31Å; E417-K432 IonicContact OE2-NZ 3.04Å; E417-K432 PolarHBondContact OE2-NZ 3.01Å
418L97.7Very high97.7Very high3 Ų378.6 Ų78.62%0.01641%0.41CS..THydrogen-bonded Turntrans-108.1-12.6-174-61.1-174.3000114.4R412 V415 P416 H420 N421 A424 L428 I429 K432R412-L418 HydrophobicContact CG-CB 3.86Å; R412-L418 WeakPolarHBondContact CG-O 3.39Å; V415-L418 HydrophobicContact CB-CB 4.25Å; V415-L418 HydrophobicContact CG1-CB 4.1Å; V415-L418 HydrophobicContact CG1-CD1 4.16Å; V415-L418 HydrophobicContact CG1-CG 3.94Å; V415-L418 PolarHBondContact O-N 2.93Å; P416-L418 VanDerWaalsContact C-N 3.26Å; P416-L418 PolarHBondContact O-N 3.11Å; L418-H420 PolarHBondContact O-N 3.2Å; L418-H420 VanDerWaalsContact O-N 3.13Å; L418-N421 PolarHBondContact O-N 3.47Å; L418-A424 HydrophobicContact CD1-CB 4.36Å; L418-A424 HydrophobicContact CD2-CB 4.26Å; L418-L428 HydrophobicContact CD1-CG 4.42Å; L418-L428 HydrophobicContact CD2-CD2 4.07Å; L418-L428 HydrophobicContact CD2-CG 4.32Å; L418-I429 HydrophobicContact CD1-CB 4.36Å; L418-I429 HydrophobicContact CD1-CG1 4.04Å; L418-K432 HydrophobicContact CD1-CB 3.68Å; L418-K432 HydrophobicContact CD1-CG 3.98Å; L418-K432 HydrophobicContact CD2-CG 4.43Å; L418-K432 HydrophobicContact CG-CB 4.15Å; L418-K432 HydrophobicContact CG-CG 4.24Å
419A96.9Very high97.7Very high44 Ų4477.2 Ų77.236%0.36440%0.404SS..THydrogen-bonded Turntrans-54.8-34.8-176.400000113.6V415V415-A419 PolarHBondContact O-N 2.99Å
420H95.6Very high97.7Very high156 Ų15677.5 Ų77.572%0.72241%0.406SS*.THydrogen-bonded Turntrans-90.7-7.1174.553.331.8000114.9E417 L418 E422E417-H420 PolarHBondContact O-CE1 2.93Å; L418-H420 PolarHBondContact O-N 3.2Å; L418-H420 VanDerWaalsContact O-N 3.13Å; H420-E422 PolarHBondContact O-N 3.32Å
421N96.2Very high97.7Very high61 Ų6180.1 Ų80.133%0.32641%0.41SS..  trans-92.983.3-179.6-175.3-4.9000110.9R412 L418 K423 A424R412-N421 WeakPolarHBondContact CD-O 3.5Å; L418-N421 PolarHBondContact O-N 3.47Å; N421-K423 PolarHBondContact O-N 3.5Å; N421-K423 PolarHBondContact OD1-N 2.99Å; N421-A424 HydrophobicContact CB-CB 4.37Å; N421-A424 PolarHBondContact O-N 3.34Å; N421-A424 VanDerWaalsContact O-N 3.15Å; N421-A424 PolarHBondContact OD1-N 3.38Å
422E95.1Very high97.7Very high157 Ų15779 Ų7973%0.73440%0.403SS*.THydrogen-bonded Turntrans-57.8-23.6-175.8-70.3-162.6158.900114.8R412 H420R412-E422 PolarHBondContact NH1-O 3.46Å; H420-E422 PolarHBondContact O-N 3.32Å
423K96.1Very high97.7Very high193 Ų19378.3 Ų78.384%0.83940%0.403SS*.THydrogen-bonded Turntrans-104.612.4-174-62.1179.4-177.6173.90113.6N421 A425N421-K423 PolarHBondContact O-N 3.5Å; N421-K423 PolarHBondContact OD1-N 2.99Å; K423-A425 PolarHBondContact O-N 2.75Å
424A97.4Very high97.7Very high15 Ų1578.8 Ų78.812%0.12441%0.409CS..  trans-51.3130.3178.700000111.9L418 N421 I429L418-A424 HydrophobicContact CD1-CB 4.36Å; L418-A424 HydrophobicContact CD2-CB 4.26Å; N421-A424 HydrophobicContact CB-CB 4.37Å; N421-A424 PolarHBondContact O-N 3.34Å; N421-A424 VanDerWaalsContact O-N 3.15Å; N421-A424 PolarHBondContact OD1-N 3.38Å; A424-I429 HydrophobicContact CB-CD1 4.16Å; A424-I429 HydrophobicContact CB-CG1 3.82Å
425A98.3Very high97.8Very high54 Ų5476.2 Ų76.245%0.44640%0.397SS..  trans-66.1147.4177.800000110.6K423 V427 L428 I429K423-A425 PolarHBondContact O-N 2.75Å; A425-V427 VanDerWaalsContact C-N 3.28Å; A425-V427 HydrophobicContact CB-CG1 4.36Å; A425-V427 PolarHBondContact O-N 3.48Å; A425-L428 HydrophobicContact CB-CB 4.27Å; A425-L428 WeakPolarHBondContact O-CA 3.43Å; A425-L428 WeakPolarHBondContact O-CB 3.46Å; A425-L428 PolarHBondContact O-N 3.11Å; A425-I429 WeakPolarHBondContact O-CG1 3.39Å; A425-I429 PolarHBondContact O-N 2.87Å
426K98.4Very high97.8Very high103 Ų10380 Ų8045%0.44841%0.411SS..Hα-helixtrans-56.5-40.7-178.8-69.7-173.3177-171.40113.4F408 L428 I429 L430F408-K426 HydrophobicContact CD1-CB 4.22Å; F408-K426 HydrophobicContact CD1-CG 4.08Å; F408-K426 HydrophobicContact CD2-CD 4.17Å; F408-K426 HydrophobicContact CD2-CG 4.48Å; F408-K426 HydrophobicContact CE1-CB 3.8Å; F408-K426 HydrophobicContact CE1-CD 4.37Å; F408-K426 HydrophobicContact CE1-CG 4.06Å; F408-K426 HydrophobicContact CE2-CD 3.98Å; F408-K426 HydrophobicContact CE2-CG 4.49Å; F408-K426 HydrophobicContact CG-CD 4.47Å; F408-K426 HydrophobicContact CG-CG 4.3Å; F408-K426 HydrophobicContact CZ-CB 4.12Å; F408-K426 HydrophobicContact CZ-CD 4.09Å; F408-K426 HydrophobicContact CZ-CG 4.29Å; K426-L428 VanDerWaalsContact C-N 3.34Å; K426-I429 PolarHBondContact O-N 2.84Å; K426-L430 WeakPolarHBondContact O-CG 3.39Å; K426-L430 PolarHBondContact O-N 3.17Å; K426-L430 VanDerWaalsContact O-N 3.12Å
427V98.6Very high97.8Very high113 Ų11379.9 Ų79.969%0.68541%0.409SS*.Hα-helixtrans-65.1-38.5177.464.90000111.5A425 L430 K431A425-V427 VanDerWaalsContact C-N 3.28Å; A425-V427 HydrophobicContact CB-CG1 4.36Å; A425-V427 PolarHBondContact O-N 3.48Å; V427-L430 PolarHBondContact O-N 2.9Å; V427-K431 PolarHBondContact O-N 3.28Å
428L98.4Very high97.9Very high64 Ų6477.6 Ų77.634%0.33541%0.405SS..Hα-helixtrans-67.1-40.6175.8-174.866.9000111.6L418 A425 K426 L430 K431 K432L418-L428 HydrophobicContact CD1-CG 4.42Å; L418-L428 HydrophobicContact CD2-CD2 4.07Å; L418-L428 HydrophobicContact CD2-CG 4.32Å; A425-L428 HydrophobicContact CB-CB 4.27Å; A425-L428 WeakPolarHBondContact O-CA 3.43Å; A425-L428 WeakPolarHBondContact O-CB 3.46Å; A425-L428 PolarHBondContact O-N 3.11Å; K426-L428 VanDerWaalsContact C-N 3.34Å; L428-L430 VanDerWaalsContact C-N 3.3Å; L428-L430 PolarHBondContact O-N 3.31Å; L428-K431 PolarHBondContact O-N 2.98Å; L428-K432 HydrophobicContact CD1-CG 3.98Å; L428-K432 HydrophobicContact CG-CG 4.28Å; L428-K432 WeakPolarHBondContact O-CB 3.34Å; L428-K432 WeakPolarHBondContact O-CG 3.47Å; L428-K432 PolarHBondContact O-N 3.01Å
429I98.7Very high97.9Very high8 Ų880.4 Ų80.44%0.04143%0.425CS..Hα-helixtrans-59.1-42.5174.1-64164.2000110.7F408 L411 R412 L418 A424 A425 K426 A433F408-I429 HydrophobicContact CD1-CB 4.39Å; F408-I429 HydrophobicContact CD1-CD1 4.3Å; F408-I429 HydrophobicContact CD1-CG2 4.2Å; L411-I429 HydrophobicContact CB-CG2 4.24Å; L411-I429 HydrophobicContact CD2-CG2 3.91Å; L411-I429 HydrophobicContact CG-CG2 3.89Å; R412-I429 HydrophobicContact CB-CD1 4.03Å; R412-I429 HydrophobicContact CB-CG1 4.13Å; R412-I429 HydrophobicContact CB-CG2 4.25Å; R412-I429 HydrophobicContact CG-CD1 4.4Å; R412-I429 HydrophobicContact CG-CG1 4.34Å; L418-I429 HydrophobicContact CD1-CB 4.36Å; L418-I429 HydrophobicContact CD1-CG1 4.04Å; A424-I429 HydrophobicContact CB-CD1 4.16Å; A424-I429 HydrophobicContact CB-CG1 3.82Å; A425-I429 WeakPolarHBondContact O-CG1 3.39Å; A425-I429 PolarHBondContact O-N 2.87Å; K426-I429 PolarHBondContact O-N 2.84Å; I429-A433 WeakPolarHBondContact O-CB 3.37Å; I429-A433 PolarHBondContact O-N 3.33Å
430L98.8Very high98Very high88 Ų8882.2 Ų82.246%0.46143%0.427SS..Hα-helixtrans-67.4-50.8176.8-64.4175000111.8F408 L411 K426 V427 L428 K432 A433 T434F408-L430 HydrophobicContact CE1-CD1 4.32Å; F408-L430 HydrophobicContact CE1-CD2 3.95Å; F408-L430 HydrophobicContact CE1-CG 3.94Å; F408-L430 HydrophobicContact CZ-CD1 4.33Å; F408-L430 HydrophobicContact CZ-CD2 4.33Å; F408-L430 HydrophobicContact CZ-CG 4.4Å; L411-L430 HydrophobicContact CD2-CD2 4.15Å; K426-L430 WeakPolarHBondContact O-CG 3.39Å; K426-L430 PolarHBondContact O-N 3.17Å; K426-L430 VanDerWaalsContact O-N 3.12Å; V427-L430 PolarHBondContact O-N 2.9Å; L428-L430 VanDerWaalsContact C-N 3.3Å; L428-L430 PolarHBondContact O-N 3.31Å; L430-K432 PolarHBondContact O-N 3.43Å; L430-A433 PolarHBondContact O-N 3.19Å; L430-T434 PolarHBondContact O-N 3.18Å; L430-T434 PolarHBondContact O-OG1 3.31Å
431K98.7Very high98.2Very high134 Ų13480.1 Ų80.158%0.58342%0.418SS*.Hα-helixtrans-55.7-50.7179.5175.9167.1177.7174.50111.2V427 L428 A433 T434 E435V427-K431 PolarHBondContact O-N 3.28Å; L428-K431 PolarHBondContact O-N 2.98Å; K431-A433 PolarHBondContact O-N 2.91Å; K431-T434 PolarHBondContact O-N 3.16Å; K431-E435 WeakPolarHBondContact CE-OE1 3.33Å; K431-E435 WeakPolarHBondContact CG-OE1 3.39Å; K431-E435 WeakPolarHBondContact O-CG 3.4Å; K431-E435 PolarHBondContact O-N 3.1Å
432K98.6Very high98.3Very high38 Ų3881.5 Ų81.517%0.16543%0.429CS..Hα-helixtrans-69.6-28.8178.6-66.8-55.5-167.4162.40114.4V415 E417 L418 L428 L430 E435 Y436V415-K432 HydrophobicContact CG1-CB 3.83Å; E417-K432 VanDerWaalsContact CD-CE 3.48Å; E417-K432 WeakPolarHBondContact OE1-CE 3.15Å; E417-K432 IonicContact OE1-NZ 2.73Å; E417-K432 PolarHBondContact OE1-NZ 3.38Å; E417-K432 WeakPolarHBondContact OE2-CD 3.28Å; E417-K432 WeakPolarHBondContact OE2-CE 3.31Å; E417-K432 IonicContact OE2-NZ 3.04Å; E417-K432 PolarHBondContact OE2-NZ 3.01Å; L418-K432 HydrophobicContact CD1-CB 3.68Å; L418-K432 HydrophobicContact CD1-CG 3.98Å; L418-K432 HydrophobicContact CD2-CG 4.43Å; L418-K432 HydrophobicContact CG-CB 4.15Å; L418-K432 HydrophobicContact CG-CG 4.24Å; L428-K432 HydrophobicContact CD1-CG 3.98Å; L428-K432 HydrophobicContact CG-CG 4.28Å; L428-K432 WeakPolarHBondContact O-CB 3.34Å; L428-K432 WeakPolarHBondContact O-CG 3.47Å; L428-K432 PolarHBondContact O-N 3.01Å; L430-K432 PolarHBondContact O-N 3.43Å; K432-E435 WeakPolarHBondContact CD-OE2 3.31Å; K432-E435 WeakPolarHBondContact CE-OE2 3.31Å; K432-E435 IonicContact NZ-OE2 3.21Å; K432-E435 PolarHBondContact NZ-OE2 3.49Å; K432-Y436 WeakPolarHBondContact O-CB 3.31Å; K432-Y436 PolarHBondContact O-N 2.97Å
433A98.8Very high98.5Very high12 Ų1277.8 Ų77.810%0.09941%0.411CS..Hα-helixtrans-67.5-42.117100000111.7L411 V415 I429 L430 K431 Y436 V437L411-A433 HydrophobicContact CD1-CB 3.92Å; L411-A433 HydrophobicContact CD2-CB 4.18Å; L411-A433 HydrophobicContact CG-CB 4.16Å; V415-A433 HydrophobicContact CG2-CB 3.89Å; I429-A433 WeakPolarHBondContact O-CB 3.37Å; I429-A433 PolarHBondContact O-N 3.33Å; L430-A433 PolarHBondContact O-N 3.19Å; K431-A433 PolarHBondContact O-N 2.91Å; A433-Y436 PolarHBondContact O-N 2.97Å; A433-V437 WeakPolarHBondContact O-CG2 3.29Å; A433-V437 PolarHBondContact O-N 3.24Å
434T98.8Very high98.6Very high91 Ų9175.2 Ų75.256%0.55840%0.403SS*.Hα-helixtrans-64.2-50.4175.5-58.50000111.5L430 K431 Y436 V437 C438L430-T434 PolarHBondContact O-N 3.18Å; L430-T434 PolarHBondContact O-OG1 3.31Å; K431-T434 PolarHBondContact O-N 3.16Å; T434-Y436 VanDerWaalsContact C-N 3.25Å; T434-Y436 PolarHBondContact O-N 3.38Å; T434-V437 PolarHBondContact O-N 3.09Å; T434-V437 VanDerWaalsContact O-N 3.17Å; T434-C438 PolarHBondContact O-N 2.96Å; T434-C438 PolarHBondContact O-SG 3.07Å; T434-C438 VanDerWaalsContact O-SG 3.41Å
435E98.6Very high98.7Very high77 Ų7779.9 Ų79.936%0.3642%0.423SS..Hα-helixtrans-53-44.2174.6-73.5170.4-149.900111.6K431 K432 C438 S439K431-E435 WeakPolarHBondContact CE-OE1 3.33Å; K431-E435 WeakPolarHBondContact CG-OE1 3.39Å; K431-E435 WeakPolarHBondContact O-CG 3.4Å; K431-E435 PolarHBondContact O-N 3.1Å; K432-E435 WeakPolarHBondContact CD-OE2 3.31Å; K432-E435 WeakPolarHBondContact CE-OE2 3.31Å; K432-E435 IonicContact NZ-OE2 3.21Å; K432-E435 PolarHBondContact NZ-OE2 3.49Å; E435-C438 PolarHBondContact O-N 3.15Å; E435-S439 PolarHBondContact O-N 3.39Å
436Y98.8Very high98.7Very high83 Ų8383 Ų8333%0.32542%0.423SS..Hα-helixtrans-66.9-40.9179.9-176-128000112.7H414 P416 K432 A433 T434 S439 L440H414-Y436 VanDerWaalsContact O-CE1 3.32Å; H414-Y436 WeakPolarHBondContact O-CE1 3.46Å; P416-Y436 HydrophobicContact CG-CD2 4.45Å; P416-Y436 HydrophobicContact CG-CE1 4.23Å; P416-Y436 HydrophobicContact CG-CE2 3.79Å; K432-Y436 WeakPolarHBondContact O-CB 3.31Å; K432-Y436 PolarHBondContact O-N 2.97Å; A433-Y436 PolarHBondContact O-N 2.97Å; T434-Y436 VanDerWaalsContact C-N 3.25Å; T434-Y436 PolarHBondContact O-N 3.38Å; Y436-S439 PolarHBondContact O-N 2.99Å; Y436-S439 PolarHBondContact O-OG 2.95Å; Y436-L440 HydrophobicContact CD1-CD1 4.09Å; Y436-L440 HydrophobicContact CD2-CG 4.34Å; Y436-L440 HydrophobicContact CE1-CD1 3.7Å; Y436-L440 HydrophobicContact CE1-CG 4.44Å; Y436-L440 HydrophobicContact CE2-CD1 4.17Å; Y436-L440 HydrophobicContact CE2-CD2 4.08Å; Y436-L440 HydrophobicContact CE2-CG 4.01Å; Y436-L440 HydrophobicContact CG-CD1 4.48Å; Y436-L440 WeakPolarHBondContact O-CG 3.49Å; Y436-L440 PolarHBondContact O-N 2.89Å
437V98.7Very high98.7Very high74 Ų7482.2 Ų82.245%0.44842%0.424SS..Hα-helixtrans-60.2-49.4174.8169.30000110.9A433 T434 S439 L440 E441A433-V437 WeakPolarHBondContact O-CG2 3.29Å; A433-V437 PolarHBondContact O-N 3.24Å; T434-V437 PolarHBondContact O-N 3.09Å; T434-V437 VanDerWaalsContact O-N 3.17Å; V437-S439 VanDerWaalsContact C-N 3.29Å; V437-S439 PolarHBondContact O-N 2.85Å; V437-L440 WeakPolarHBondContact O-CB 3.47Å; V437-L440 PolarHBondContact O-N 3.45Å; V437-E441 HydrophobicContact CG1-CG 4.42Å; V437-E441 WeakPolarHBondContact O-CG 3.4Å; V437-E441 PolarHBondContact O-N 2.83Å
438C98.8Very high98.7Very high62 Ų6280.3 Ų80.342%0.41941%0.407SS..Hα-helixtrans-59.4-39.8177.3-61.30000112T434 E435 L440 E441 T442T434-C438 PolarHBondContact O-N 2.96Å; T434-C438 PolarHBondContact O-SG 3.07Å; T434-C438 VanDerWaalsContact O-SG 3.41Å; E435-C438 PolarHBondContact O-N 3.15Å; C438-L440 VanDerWaalsContact C-N 3.31Å; C438-L440 PolarHBondContact O-N 2.79Å; C438-E441 PolarHBondContact O-N 3.1Å; C438-T442 PolarHBondContact O-N 3.26Å; C438-T442 VanDerWaalsContact O-N 3.1Å; C438-T442 PolarHBondContact O-OG1 2.84Å
439S98.8Very high98.7Very high62 Ų6283.1 Ų83.143%0.43442%0.419SS..Hα-helixtrans-64.3-33.7175.977.50000113.4E435 Y436 V437 E443E435-S439 PolarHBondContact O-N 3.39Å; Y436-S439 PolarHBondContact O-N 2.99Å; Y436-S439 PolarHBondContact O-OG 2.95Å; V437-S439 VanDerWaalsContact C-N 3.29Å; V437-S439 PolarHBondContact O-N 2.85Å; S439-E443 WeakPolarHBondContact O-CB 3.29Å; S439-E443 PolarHBondContact O-N 3.17Å
440L98.8Very high98.8Very high81 Ų8185.5 Ų85.542%0.42443%0.43SS..Hα-helixtrans-73.1-38.5176.3-71.6173.1000111.8Y436 V437 C438 E443 E444Y436-L440 HydrophobicContact CD1-CD1 4.09Å; Y436-L440 HydrophobicContact CD2-CG 4.34Å; Y436-L440 HydrophobicContact CE1-CD1 3.7Å; Y436-L440 HydrophobicContact CE1-CG 4.44Å; Y436-L440 HydrophobicContact CE2-CD1 4.17Å; Y436-L440 HydrophobicContact CE2-CD2 4.08Å; Y436-L440 HydrophobicContact CE2-CG 4.01Å; Y436-L440 HydrophobicContact CG-CD1 4.48Å; Y436-L440 WeakPolarHBondContact O-CG 3.49Å; Y436-L440 PolarHBondContact O-N 2.89Å; V437-L440 WeakPolarHBondContact O-CB 3.47Å; V437-L440 PolarHBondContact O-N 3.45Å; C438-L440 VanDerWaalsContact C-N 3.31Å; C438-L440 PolarHBondContact O-N 2.79Å; L440-E443 PolarHBondContact O-N 3.07Å; L440-E444 WeakPolarHBondContact O-CB 3.47Å; L440-E444 PolarHBondContact O-N 2.97Å
441E98.8Very high98.8Very high113 Ų11386.2 Ų86.253%0.52843%0.429SS..Hα-helixtrans-62.6-44.4176.2-70.2170.5159.700111.2V437 C438 E444 M445V437-E441 HydrophobicContact CG1-CG 4.42Å; V437-E441 WeakPolarHBondContact O-CG 3.4Å; V437-E441 PolarHBondContact O-N 2.83Å; C438-E441 PolarHBondContact O-N 3.1Å; E441-E444 PolarHBondContact O-N 3.36Å; E441-M445 PolarHBondContact O-N 3.02Å
442T98.8Very high98.8Very high90 Ų9083.3 Ų83.355%0.55242%0.42SS*.Hα-helixtrans-62.1-43.2174.7-57.20000112.2C438 M445 R446C438-T442 PolarHBondContact O-N 3.26Å; C438-T442 VanDerWaalsContact O-N 3.1Å; C438-T442 PolarHBondContact O-OG1 2.84Å; T442-M445 PolarHBondContact O-N 2.79Å; T442-R446 WeakPolarHBondContact O-CB 3.48Å; T442-R446 PolarHBondContact O-N 3.31Å
443E98.7Very high98.8Very high78 Ų7889.2 Ų89.236%0.36444%0.441SS..Hα-helixtrans-69.7-36.4177.9178.360.9-171.900112.1S439 L440 R446 L447S439-E443 WeakPolarHBondContact O-CB 3.29Å; S439-E443 PolarHBondContact O-N 3.17Å; L440-E443 PolarHBondContact O-N 3.07Å; E443-R446 VanDerWaalsContact CD-NH2 3.35Å; E443-R446 PolarHBondContact O-N 3.43Å; E443-R446 IonicContact OE1-CZ 3.15Å; E443-R446 IonicContact OE1-NE 3.8Å; E443-R446 IonicContact OE1-NH2 2.72Å; E443-R446 PolarHBondContact OE1-NH2 3.39Å; E443-R446 IonicContact OE2-CZ 3.74Å; E443-R446 IonicContact OE2-NE 3.25Å; E443-R446 PolarHBondContact OE2-NE 2.78Å; E443-R446 IonicContact OE2-NH2 3.81Å; E443-R446 PolarHBondContact OE2-NH2 2.78Å; E443-L447 HydrophobicContact CG-CD1 3.99Å; E443-L447 HydrophobicContact CG-CG 4.41Å; E443-L447 WeakPolarHBondContact O-CB 3.34Å; E443-L447 VanDerWaalsContact O-CG 3.25Å; E443-L447 WeakPolarHBondContact O-CG 3.49Å; E443-L447 PolarHBondContact O-N 3.16Å
444E98.8Very high98.8Very high140 Ų14092.6 Ų92.665%0.65446%0.457SS*.Hα-helixtrans-61.2-48.4172.8178.9169-152.900111L440 E441 R446 L447 Q448L440-E444 WeakPolarHBondContact O-CB 3.47Å; L440-E444 PolarHBondContact O-N 2.97Å; E441-E444 PolarHBondContact O-N 3.36Å; E444-R446 PolarHBondContact O-N 2.9Å; E444-L447 PolarHBondContact O-N 3.01Å; E444-Q448 VanDerWaalsContact O-CB 3.29Å; E444-Q448 WeakPolarHBondContact O-CB 3.35Å; E444-Q448 PolarHBondContact O-N 2.89Å
445M98.8Very high98.8Very high112 Ų11292.3 Ų92.355%0.55245%0.449SS*.Hα-helixtrans-57.1-47.6175.3-179.2179.766.200111.4E441 T442 L447 Q448 Q449E441-M445 PolarHBondContact O-N 3.02Å; T442-M445 PolarHBondContact O-N 2.79Å; M445-L447 PolarHBondContact O-N 3.43Å; M445-Q448 PolarHBondContact O-N 3.43Å; M445-Q449 WeakPolarHBondContact O-CG 3.42Å; M445-Q449 PolarHBondContact O-N 2.88Å
446R98.8Very high98.8Very high119 Ų11991.2 Ų91.245%0.44945%0.454SS..Hα-helixtrans-61.4-43.5179.2-167-165.268.371.11.7112.2T442 E443 E444 E450T442-R446 WeakPolarHBondContact O-CB 3.48Å; T442-R446 PolarHBondContact O-N 3.31Å; E443-R446 VanDerWaalsContact CD-NH2 3.35Å; E443-R446 PolarHBondContact O-N 3.43Å; E443-R446 IonicContact OE1-CZ 3.15Å; E443-R446 IonicContact OE1-NE 3.8Å; E443-R446 IonicContact OE1-NH2 2.72Å; E443-R446 PolarHBondContact OE1-NH2 3.39Å; E443-R446 IonicContact OE2-CZ 3.74Å; E443-R446 IonicContact OE2-NE 3.25Å; E443-R446 PolarHBondContact OE2-NE 2.78Å; E443-R446 IonicContact OE2-NH2 3.81Å; E443-R446 PolarHBondContact OE2-NH2 2.78Å; E444-R446 PolarHBondContact O-N 2.9Å; R446-E450 PolarHBondContact O-N 2.86Å; R446-E450 VanDerWaalsContact O-N 3.13Å
447L98.8Very high98.8Very high88 Ų8895.4 Ų95.446%0.46147%0.469SS..Hα-helixtrans-68.3-35.2177.3-72.8172.3000112.2E443 E444 M445 E450 K451E443-L447 HydrophobicContact CG-CD1 3.99Å; E443-L447 HydrophobicContact CG-CG 4.41Å; E443-L447 WeakPolarHBondContact O-CB 3.34Å; E443-L447 VanDerWaalsContact O-CG 3.25Å; E443-L447 WeakPolarHBondContact O-CG 3.49Å; E443-L447 PolarHBondContact O-N 3.16Å; E444-L447 PolarHBondContact O-N 3.01Å; M445-L447 PolarHBondContact O-N 3.43Å; L447-E450 PolarHBondContact O-N 2.78Å; L447-K451 VanDerWaalsContact O-CB 3.27Å; L447-K451 WeakPolarHBondContact O-CB 3.42Å; L447-K451 PolarHBondContact O-N 3.2Å
448Q98.9Very high98.8Very high72 Ų72100.6 Ų100.634%0.33648%0.48SS..Hα-helixtrans-67.9-44.2177-178.149.44900111.4E444 M445 E450 K451 D452E444-Q448 VanDerWaalsContact O-CB 3.29Å; E444-Q448 WeakPolarHBondContact O-CB 3.35Å; E444-Q448 PolarHBondContact O-N 2.89Å; M445-Q448 PolarHBondContact O-N 3.43Å; Q448-E450 PolarHBondContact O-N 3.48Å; Q448-K451 WeakPolarHBondContact O-CB 3.34Å; Q448-K451 PolarHBondContact O-N 2.72Å; Q448-D452 PolarHBondContact NE2-OD1 2.84Å; Q448-D452 PolarHBondContact NE2-OD2 2.99Å; Q448-D452 VanDerWaalsContact O-CG 3.31Å; Q448-D452 PolarHBondContact O-N 3.15Å
449Q98.8Very high98.8Very high123 Ų123103.3 Ų103.358%0.57549%0.487SS*.Hα-helixtrans-58.5-45.7172.2-69.7175.58.300112.2M445 K451 D452 R453M445-Q449 WeakPolarHBondContact O-CG 3.42Å; M445-Q449 PolarHBondContact O-N 2.88Å; Q449-K451 PolarHBondContact O-N 3.5Å; Q449-D452 PolarHBondContact O-N 3.2Å; Q449-R453 WeakPolarHBondContact O-CB 3.46Å; Q449-R453 PolarHBondContact O-N 2.93Å
450E98.8Very high98.8Very high59 Ų59104.4 Ų104.428%0.27649%0.485SS..Hα-helixtrans-65.3-39.9178.7176.359.2-175.800112.2R446 L447 Q448 D452 R453 L454R446-E450 PolarHBondContact O-N 2.86Å; R446-E450 VanDerWaalsContact O-N 3.13Å; L447-E450 PolarHBondContact O-N 2.78Å; Q448-E450 PolarHBondContact O-N 3.48Å; E450-D452 VanDerWaalsContact C-N 3.34Å; E450-D452 PolarHBondContact O-N 3.22Å; E450-R453 PolarHBondContact O-N 2.96Å; E450-R453 IonicContact OE1-CZ 3.17Å; E450-R453 IonicContact OE1-NE 3.79Å; E450-R453 IonicContact OE1-NH2 3.99Å; E450-R453 PolarHBondContact OE1-NH2 2.92Å; E450-R453 IonicContact OE2-CZ 2.81Å; E450-R453 IonicContact OE2-NE 3.41Å; E450-R453 PolarHBondContact OE2-NE 3.45Å; E450-R453 IonicContact OE2-NH2 2.79Å; E450-R453 PolarHBondContact OE2-NH2 3.37Å; E450-L454 HydrophobicContact CG-CD1 4.02Å; E450-L454 HydrophobicContact CG-CG 4.45Å; E450-L454 WeakPolarHBondContact O-CB 3.44Å; E450-L454 VanDerWaalsContact O-CG 3.25Å; E450-L454 WeakPolarHBondContact O-CG 3.42Å; E450-L454 PolarHBondContact O-N 3.43Å
451K98.8Very high98.8Very high103 Ų103104.3 Ų104.345%0.44848%0.484SS..Hα-helixtrans-57.5-46.5173.2164.7-178154.8-158.50111L447 Q448 Q449 L454 Q455L447-K451 VanDerWaalsContact O-CB 3.27Å; L447-K451 WeakPolarHBondContact O-CB 3.42Å; L447-K451 PolarHBondContact O-N 3.2Å; Q448-K451 WeakPolarHBondContact O-CB 3.34Å; Q448-K451 PolarHBondContact O-N 2.72Å; Q449-K451 PolarHBondContact O-N 3.5Å; K451-L454 PolarHBondContact O-N 2.73Å; K451-Q455 WeakPolarHBondContact O-CB 3.36Å; K451-Q455 VanDerWaalsContact O-CG 3.3Å; K451-Q455 WeakPolarHBondContact O-CG 3.26Å; K451-Q455 PolarHBondContact O-N 3.16Å
452D98.8Very high98.7Very high72 Ų72104.1 Ų104.139%0.38549%0.485SS..Hα-helixtrans-70.2-39.3-178.3-64.1-21.1000111.7Q448 Q449 E450 L454 Q455 A456Q448-D452 PolarHBondContact NE2-OD1 2.84Å; Q448-D452 PolarHBondContact NE2-OD2 2.99Å; Q448-D452 VanDerWaalsContact O-CG 3.31Å; Q448-D452 PolarHBondContact O-N 3.15Å; Q449-D452 PolarHBondContact O-N 3.2Å; E450-D452 VanDerWaalsContact C-N 3.34Å; E450-D452 PolarHBondContact O-N 3.22Å; D452-L454 VanDerWaalsContact C-N 3.34Å; D452-L454 PolarHBondContact O-N 3.06Å; D452-Q455 PolarHBondContact O-N 2.88Å; D452-A456 WeakPolarHBondContact O-CB 3.49Å; D452-A456 PolarHBondContact O-N 3.25Å
453R98.8Very high98.7Very high162 Ų162106.7 Ų106.761%0.61148%0.484SS*.Hα-helixtrans-56.9-45.6170.7-170.1-178.374.6140.40.7111.9Q449 E450 R457Q449-R453 WeakPolarHBondContact O-CB 3.46Å; Q449-R453 PolarHBondContact O-N 2.93Å; E450-R453 PolarHBondContact O-N 2.96Å; E450-R453 IonicContact OE1-CZ 3.17Å; E450-R453 IonicContact OE1-NE 3.79Å; E450-R453 IonicContact OE1-NH2 3.99Å; E450-R453 PolarHBondContact OE1-NH2 2.92Å; E450-R453 IonicContact OE2-CZ 2.81Å; E450-R453 IonicContact OE2-NE 3.41Å; E450-R453 PolarHBondContact OE2-NE 3.45Å; E450-R453 IonicContact OE2-NH2 2.79Å; E450-R453 PolarHBondContact OE2-NH2 3.37Å; R453-R457 WeakPolarHBondContact O-CB 3.48Å; R453-R457 PolarHBondContact O-N 3.05Å
454L98.8Very high98.7Very high84 Ų84109.9 Ų109.944%0.4449%0.493SS..Hα-helixtrans-68.4-36.1177.5-70.8173.1000112.3E450 K451 D452 R458E450-L454 HydrophobicContact CG-CD1 4.02Å; E450-L454 HydrophobicContact CG-CG 4.45Å; E450-L454 WeakPolarHBondContact O-CB 3.44Å; E450-L454 VanDerWaalsContact O-CG 3.25Å; E450-L454 WeakPolarHBondContact O-CG 3.42Å; E450-L454 PolarHBondContact O-N 3.43Å; K451-L454 PolarHBondContact O-N 2.73Å; D452-L454 VanDerWaalsContact C-N 3.34Å; D452-L454 PolarHBondContact O-N 3.06Å; L454-R458 WeakPolarHBondContact O-CB 3.28Å; L454-R458 PolarHBondContact O-N 3.36Å
455Q98.8Very high98.6Very high85 Ų85107.9 Ų107.940%0.39749%0.486SS..Hα-helixtrans-65.8-47.4173.9-74.8-176.230.400111.9K451 D452 R457 R458 Q459K451-Q455 WeakPolarHBondContact O-CB 3.36Å; K451-Q455 VanDerWaalsContact O-CG 3.3Å; K451-Q455 WeakPolarHBondContact O-CG 3.26Å; K451-Q455 PolarHBondContact O-N 3.16Å; D452-Q455 PolarHBondContact O-N 2.88Å; Q455-R457 VanDerWaalsContact C-N 3.32Å; Q455-R457 PolarHBondContact O-N 3.04Å; Q455-R458 WeakPolarHBondContact O-CB 3.45Å; Q455-R458 PolarHBondContact O-N 3.38Å; Q455-R458 VanDerWaalsContact O-N 3.14Å; Q455-Q459 WeakPolarHBondContact O-CG 3.41Å; Q455-Q459 PolarHBondContact O-N 3.24Å
456A98.8Very high98.5Very high54 Ų54108.6 Ų108.645%0.44649%0.488SS..Hα-helixtrans-58.1-44.6175.400000111.3D452 R458 Q459 H460D452-A456 WeakPolarHBondContact O-CB 3.49Å; D452-A456 PolarHBondContact O-N 3.25Å; A456-R458 PolarHBondContact O-N 2.88Å; A456-Q459 PolarHBondContact O-N 3.32Å; A456-H460 WeakPolarHBondContact O-CB 3.48Å; A456-H460 PolarHBondContact O-N 3.37Å
457R98.8Very high98.4Very high170 Ų170108.8 Ų108.864%0.64249%0.494SS*.Hα-helixtrans-61.3-43.4174.4-171.7179.4-177.9-161.91.6112.2R453 Q455 H460 L461R453-R457 WeakPolarHBondContact O-CB 3.48Å; R453-R457 PolarHBondContact O-N 3.05Å; Q455-R457 VanDerWaalsContact C-N 3.32Å; Q455-R457 PolarHBondContact O-N 3.04Å; R457-H460 PolarHBondContact O-N 3.11Å; R457-L461 HydrophobicContact CG-CD1 4.28Å; R457-L461 WeakPolarHBondContact O-CG 3.31Å; R457-L461 PolarHBondContact O-N 3.39Å
458R98.6Very high98.3Very high184 Ų184107.8 Ų107.869%0.69450%0.499SS*.Hα-helixtrans-60.5-48.1175.1177.9-177.1172.1-167.4-2.9111L454 Q455 A456 H460 L461 M462L454-R458 WeakPolarHBondContact O-CB 3.28Å; L454-R458 PolarHBondContact O-N 3.36Å; Q455-R458 WeakPolarHBondContact O-CB 3.45Å; Q455-R458 PolarHBondContact O-N 3.38Å; Q455-R458 VanDerWaalsContact O-N 3.14Å; A456-R458 PolarHBondContact O-N 2.88Å; R458-H460 PolarHBondContact O-N 3.47Å; R458-L461 PolarHBondContact O-N 2.86Å; R458-M462 WeakPolarHBondContact O-CG 3.49Å; R458-M462 PolarHBondContact O-N 3.34Å
459Q98.7Very high98.1Very high118 Ų118114.2 Ų114.255%0.55152%0.52SS*.Hα-helixtrans-61.7-41.9178.4-69.617511.600112.1Q455 A456 M462 R463Q455-Q459 WeakPolarHBondContact O-CG 3.41Å; Q455-Q459 PolarHBondContact O-N 3.24Å; A456-Q459 PolarHBondContact O-N 3.32Å; Q459-M462 PolarHBondContact O-N 3.33Å; Q459-R463 PolarHBondContact O-N 3.47Å
460H98.6Very high97.8Very high85 Ų85113.9 Ų113.939%0.39453%0.526SS..Hα-helixtrans-61.1-45.4174.3174.686.8000112A456 R457 R458 M462 R463 R464A456-H460 WeakPolarHBondContact O-CB 3.48Å; A456-H460 PolarHBondContact O-N 3.37Å; R457-H460 PolarHBondContact O-N 3.11Å; R458-H460 PolarHBondContact O-N 3.47Å; H460-M462 PolarHBondContact O-N 3.27Å; H460-R463 PolarHBondContact O-N 3.3Å; H460-R464 WeakPolarHBondContact NE2-CD 3.41Å; H460-R464 PolarHBondContact O-N 2.82Å
461L98.6Very high96.4Very high80 Ų80124.2 Ų124.242%0.41956%0.563SS.*Hα-helixtrans-64.7-37.9176.5-70.4171.9000112.3R457 R458 R464 L465R457-L461 HydrophobicContact CG-CD1 4.28Å; R457-L461 WeakPolarHBondContact O-CG 3.31Å; R457-L461 PolarHBondContact O-N 3.39Å; R458-L461 PolarHBondContact O-N 2.86Å; L461-R464 PolarHBondContact O-N 3.17Å; L461-L465 WeakPolarHBondContact O-CG 3.13Å; L461-L465 PolarHBondContact O-N 3.43Å
462M98.3Very high96.3Very high108 Ų108125.3 Ų125.353%0.53257%0.569SS.*Hα-helixtrans-61.8-48.4174.1-73.2-61.9-61.700111.8R458 Q459 H460 R464 L465 E466R458-M462 WeakPolarHBondContact O-CG 3.49Å; R458-M462 PolarHBondContact O-N 3.34Å; Q459-M462 PolarHBondContact O-N 3.33Å; H460-M462 PolarHBondContact O-N 3.27Å; M462-R464 VanDerWaalsContact C-N 3.29Å; M462-R464 PolarHBondContact O-N 2.94Å; M462-L465 PolarHBondContact O-N 2.76Å; M462-L465 VanDerWaalsContact O-N 3.13Å; M462-E466 PolarHBondContact O-N 3.12Å
463R97.9Very high96.1Very high144 Ų144128.1 Ų128.154%0.54358%0.578SS.*Hα-helixtrans-57-41.4174.7-75-175.5-75.1151.6-10112.1Q459 H460 E466 Q467Q459-R463 PolarHBondContact O-N 3.47Å; H460-R463 PolarHBondContact O-N 3.3Å; R463-E466 PolarHBondContact O-N 3.38Å; R463-Q467 VanDerWaalsContact O-CG 3.31Å; R463-Q467 WeakPolarHBondContact O-CG 3.44Å; R463-Q467 PolarHBondContact O-N 2.73Å
464R97.9Very high96Very high146 Ų146126.2 Ų126.255%0.55158%0.576SS**Hα-helixtrans-66.7-37.3175.9-76.1-175.360.4-172.1-0.8113.4H460 L461 M462 A468H460-R464 WeakPolarHBondContact NE2-CD 3.41Å; H460-R464 PolarHBondContact O-N 2.82Å; L461-R464 PolarHBondContact O-N 3.17Å; M462-R464 VanDerWaalsContact C-N 3.29Å; M462-R464 PolarHBondContact O-N 2.94Å; R464-A468 WeakPolarHBondContact O-CB 3.43Å; R464-A468 PolarHBondContact O-N 3.29Å
465L97.9Very high95.8Very high98 Ų98128.6 Ų128.651%0.51358%0.584SS.*Hα-helixtrans-67.5-37174.9-75170.9000111.8L461 M462 A468 R469L461-L465 WeakPolarHBondContact O-CG 3.13Å; L461-L465 PolarHBondContact O-N 3.43Å; M462-L465 PolarHBondContact O-N 2.76Å; M462-L465 VanDerWaalsContact O-N 3.13Å; L465-A468 PolarHBondContact O-N 3.28Å; L465-R469 VanDerWaalsContact O-CG 3.29Å; L465-R469 WeakPolarHBondContact O-CG 3.21Å; L465-R469 PolarHBondContact O-N 2.64Å; L465-R469 VanDerWaalsContact O-N 3.08Å
466E97.4Very high95.7Very high127 Ų127131.4 Ų131.459%0.59360%0.596SS**Hα-helixtrans-65.2-48.7174.7-174.6170.4-155.300111.7M462 R463 A468 R469 T470M462-E466 PolarHBondContact O-N 3.12Å; R463-E466 PolarHBondContact O-N 3.38Å; E466-A468 PolarHBondContact O-N 3.49Å; E466-R469 WeakPolarHBondContact O-CB 3.45Å; E466-R469 PolarHBondContact O-N 2.64Å; E466-T470 PolarHBondContact O-N 3.39Å; E466-T470 VanDerWaalsContact O-N 3.1Å; E466-T470 PolarHBondContact O-OG1 2.74Å
467Q96.6Very high95.4Very high122 Ų122136.5 Ų136.557%0.5761%0.606SS**Hα-helixtrans-58.6-29.2172.8-70.9172-2.200113.6R463 T470R463-Q467 VanDerWaalsContact O-CG 3.31Å; R463-Q467 WeakPolarHBondContact O-CG 3.44Å; R463-Q467 PolarHBondContact O-N 2.73Å; Q467-T470 PolarHBondContact O-OG1 2.94Å
468A96.1Very high95.2Very high68 Ų68134.1 Ų134.156%0.56260%0.604SS**THydrogen-bonded Turntrans-84.6-11.3176.100000113.7R464 L465 E466R464-A468 WeakPolarHBondContact O-CB 3.43Å; R464-A468 PolarHBondContact O-N 3.29Å; L465-A468 PolarHBondContact O-N 3.28Å; E466-A468 PolarHBondContact O-N 3.49Å
469R95.2Very high94.9Very high207 Ų207130.3 Ų130.378%0.78160%0.597SS**THydrogen-bonded Turntrans-94.4-22.5173.1-75.7170.2175.3-173.6-1.1113L465 E466L465-R469 VanDerWaalsContact O-CG 3.29Å; L465-R469 WeakPolarHBondContact O-CG 3.21Å; L465-R469 PolarHBondContact O-N 2.64Å; L465-R469 VanDerWaalsContact O-N 3.08Å; E466-R469 WeakPolarHBondContact O-CB 3.45Å; E466-R469 PolarHBondContact O-N 2.64Å
470T91.8Very high94.6Very high115 Ų115131.3 Ų131.371%0.70660%0.6SS**  trans-92.50.8178.453.20000113.6E466 Q467E466-T470 PolarHBondContact O-N 3.39Å; E466-T470 VanDerWaalsContact O-N 3.1Å; E466-T470 PolarHBondContact O-OG1 2.74Å; Q467-T470 PolarHBondContact O-OG1 2.94Å
471R69.4Low94.3Very high276 Ų276135.5 Ų135.5100%1.04262%0.619SS**  trans-103.70167.5-72.5-177.9176.3-167.70.5110.5

Retrieved 471 of 471 residues in 83.2 ms (Link to these results)