A0A060CZ50_MAIZE Loading...

WRKY transcription factor

AlphaFold DB (K7V3X8), UniProt , Accession A0A060CZ50, Species MAIZE (Zea mays, Maize), Gene WRKY92, Length 498 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M61.8Low51.2Low234 Ų234132.1 Ų132.1100%1.15383%0.83SS**  076.10-45.8-49.1-175.500107.1
2A42.5Very low50.1Low95 Ų95127.8 Ų127.879%0.78583%0.83SS**  cis76.2137.64400000113.6
3S55.8Low49.6Very low113 Ų113133.3 Ų133.379%0.7983%0.833SS**  trans85110.9-175.2-520000114.7
4S47.5Very low48.9Very low107 Ų107132.6 Ų132.675%0.74883%0.828SS**  77141.150.4-58.70000112.8
5T49.8Very low48.6Very low141 Ų141135.1 Ų135.187%0.86582%0.822SS**  cis-168.2151.3-10.522.20000106.2
6G56.7Low48.4Very low81 Ų81133.5 Ų133.584%0.83581%0.813SS**  trans-16883.4176.100000114
7S44.5Very low48.9Very low106 Ų106131.2 Ų131.274%0.74180%0.801SS**  trans-94.4140.8172.4-179.20000110.6
8L59.4Low49.3Very low151 Ų151128.2 Ų128.279%0.79179%0.785SS**  trans-151.3102.7158-147.6139.5000110
9E45Very low49.1Very low173 Ų173127.6 Ų127.681%0.80878%0.783SS**  trans-77141.5179.1-53.9-169.1128.700111.2
10H52.5Low49.2Very low174 Ų174129.7 Ų129.781%0.80678%0.781SS**  trans-141.2115.3163.3-9454.5000111.6
11G48.3Very low48.7Very low78 Ų78131.5 Ų131.580%0.80479%0.785SS**  trans7184.4143.200000118.6
12G37.8Very low47.9Very low81 Ų81126.7 Ų126.784%0.83577%0.769SS**  trans-67.2133162.300000112
13F43.3Very low47.9Very low199 Ų199125.6 Ų125.687%0.87376%0.756SS**  trans-113.392176.1-140.5-78.4000110.4F15F13-F15 PolarHBondContact O-N 3.16Å
14T39.7Very low47.3Very low124 Ų124128.7 Ų128.776%0.76176%0.755SS**  trans-77.4103.8178.4-52.60000110.2T16T14-T16 PolarHBondContact O-N 3.11Å
15F45.2Very low47.4Very low169 Ų169128.3 Ų128.374%0.74175%0.749SS**  trans-89.692.6171.4-170.8-94.6000110.7F13 P17F13-F15 PolarHBondContact O-N 3.16Å; F15-P17 HydrophobicContact CE1-CB 4.42Å; F15-P17 WeakPolarHBondContact O-CD 3.28Å
16T44.6Very low47.3Very low110 Ų110129.7 Ų129.768%0.67575%0.745SS**  trans-81.3113.7171-53.10000109.6T14T14-T16 PolarHBondContact O-N 3.11Å
17P56.2Low46.9Very low94 Ų94133.7 Ų133.761%0.6175%0.747SS**  trans-72.2135.8174.130.1-33.5000110.3F15F15-P17 HydrophobicContact CE1-CB 4.42Å; F15-P17 WeakPolarHBondContact O-CD 3.28Å
18P56.9Low47Very low77 Ų77135.6 Ų135.650%0.575%0.748SS.*  trans-79.2147.7-178.732-35.7000112.5F20P18-F20 HydrophobicContact CB-CD2 4.11Å; P18-F20 HydrophobicContact CB-CE1 4.08Å; P18-F20 HydrophobicContact CB-CE2 3.52Å; P18-F20 HydrophobicContact CB-CZ 3.5Å; P18-F20 HydrophobicContact CG-CD2 3.86Å; P18-F20 HydrophobicContact CG-CE2 3.37Å; P18-F20 HydrophobicContact CG-CZ 3.9Å; P18-F20 PolarHBondContact O-N 3.06Å; P18-F20 VanDerWaalsContact O-N 3.14Å
19P45.7Very low46.2Very low117 Ų117133.6 Ų133.676%0.7675%0.747SS**  trans-85.784.4-176.934.5-34.6000111.6
20F51.8Low45.8Very low170 Ų170131.1 Ų131.175%0.74675%0.748SS**  trans-112.789172.8-48.1-44.1000110.9P18 T22P18-F20 HydrophobicContact CB-CD2 4.11Å; P18-F20 HydrophobicContact CB-CE1 4.08Å; P18-F20 HydrophobicContact CB-CE2 3.52Å; P18-F20 HydrophobicContact CB-CZ 3.5Å; P18-F20 HydrophobicContact CG-CD2 3.86Å; P18-F20 HydrophobicContact CG-CE2 3.37Å; P18-F20 HydrophobicContact CG-CZ 3.9Å; P18-F20 PolarHBondContact O-N 3.06Å; P18-F20 VanDerWaalsContact O-N 3.14Å; F20-T22 PolarHBondContact O-N 3.3Å
21I38.9Very low45.4Very low167 Ų167128.2 Ų128.286%0.85675%0.754SS**  trans-83.8105.9172.8-34.3167.2000107.4
22T43.5Very low45.1Very low133 Ų133127.6 Ų127.682%0.81675%0.748SS**  trans-131.3111.7162.352.20000109.6F20F20-T22 PolarHBondContact O-N 3.3Å
23S42.9Very low45.3Very low73 Ų73131.1 Ų131.151%0.5175%0.747SS.*  trans-67.5146.8177.483.40000110T25S23-T25 PolarHBondContact O-N 2.99Å; S23-T25 PolarHBondContact OG-OG1 2.74Å
24F42.9Very low45.5Very low177 Ų177130.5 Ų130.578%0.77675%0.749SS**THydrogen-bonded Turntrans-68.53-179.2122.6-81.7000113.9
25T50.8Low45.5Very low100 Ų100132.9 Ų132.961%0.61376%0.757SS**THydrogen-bonded Turntrans-83.1-18.3-171.9-190000114.7S23S23-T25 PolarHBondContact O-N 2.99Å; S23-T25 PolarHBondContact OG-OG1 2.74Å
26E47.5Very low45.1Very low169 Ų169128.6 Ų128.679%0.7976%0.76SS**SBendtrans-94.7-11.4-175.2-64.7-143.412800115.1L28E26-L28 PolarHBondContact O-N 3.37Å
27L48.5Very low44.9Very low165 Ų165128.5 Ų128.586%0.86477%0.77SS**THydrogen-bonded Turntrans-83.514.1-175.6-73.4171.4000114.9
28L44.7Very low44.1Very low147 Ų147127.4 Ų127.477%0.7778%0.777SS**THydrogen-bonded Turntrans-120.41.3-175.3-74.9163.9000114.3E26E26-L28 PolarHBondContact O-N 3.37Å
29S43.4Very low43.4Very low109 Ų109128.4 Ų128.476%0.76279%0.791SS**SBendtrans-111.77.8-169.1-560000115.4
30S37.1Very low43.4Very low121 Ų121130.3 Ų130.385%0.84680%0.795SS**  trans-145.487-178-167.10000112.8
31A44.2Very low42.9Very low112 Ų112130.4 Ų130.493%0.92680%0.798SS**  trans-167.255.8164.500000110.2
32G41.9Very low42.8Very low65 Ų65130.4 Ų130.467%0.6779%0.794SS**  trans-105.7145.7169.500000110.8
33D41.6Very low42.7Very low155 Ų155134.7 Ų134.783%0.82980%0.795SS**  trans62.3108.4165.9-55.4-45.9000119.4
34M46.8Very low42.7Very low186 Ų186135.8 Ų135.892%0.91680%0.803SS**  -173.8152.4110.4-96.2-69.9143.400112
35L40.3Very low42.4Very low175 Ų175132.9 Ų132.992%0.91680%0.804SS**  trans-116.5152.4-164.8-73.1163.7000114.2
36G37.2Very low42.5Very low79 Ų79133 Ų13381%0.81481%0.807SS**  trans88.5162.1159.400000117.1
37A40.8Very low42.4Very low107 Ų107136.9 Ų136.988%0.88482%0.815SS**  cis-171.1158.9-16.800000110.2
38G38.9Very low42Very low72 Ų72132.8 Ų132.874%0.74281%0.812SS**  trans93.4125.6171.100000115.4
39A42.4Very low42.1Very low97 Ų97133.4 Ų133.480%0.80282%0.815SS**  80.5135.461.300000112.4
40D44.5Very low42Very low158 Ų158136.5 Ų136.585%0.84582%0.815SS**  cis-165.1-175.5-3.2-139.2-49.8000111.1
41Q41.5Very low42.3Very low171 Ų171140.2 Ų140.280%0.79982%0.819SS**  trans90.587.2150-157.5142.9102.800123
42E38.4Very low42.1Very low167 Ų167146.6 Ų146.678%0.7882%0.819SS**  22131.8116.5-84.6-90.48200121.8
43R40.9Very low41.9Very low223 Ų223147.5 Ų147.584%0.84283%0.828SS**  -175.1133.5119.8-116.8-178.5173.9-103.54.5118.7
44S41.5Very low41.9Very low96 Ų96144.9 Ų144.967%0.67183%0.828SS**  trans94127.1140.3-44.20000121.6
45S37.5Very low41.9Very low116 Ų116148.4 Ų148.481%0.81183%0.831SS**  trans-133.4-150.8-177.4-138.20000108.1
46P52.7Low42.1Very low104 Ų104143.5 Ų143.568%0.67582%0.823SS**  cis-135.9-154.9-4836.5-15.8000113.4
47R45.2Very low42.5Very low250 Ų250146.2 Ų146.294%0.94382%0.824SS**  trans96.2141.3166.5-57.9173.5166.4162.2-4.1114.9
48G41.6Very low43.3Very low78 Ų78146.3 Ų146.380%0.80482%0.815SS**  cis-168.7-171.2-3.300000108.1
49L45.3Very low44Very low160 Ų160151.9 Ų151.984%0.83882%0.819SS**  cis-156.8-179.61-168.162.5000109
50F41.9Very low44.6Very low175 Ų175156.5 Ų156.577%0.76882%0.821SS**  trans-86.3161.1-172.1-45.9-89.5000116.4
51H43Very low45.4Very low199 Ų199158.3 Ų158.392%0.92182%0.822SS**  -165.8174.4119-107.6-72.8000113.6
52R40Very low46.1Very low245 Ų245155.8 Ų155.893%0.92582%0.823SS**  trans-132.1133.2-148.1-179.7-168.6-167.9-167.67.3111.8
53G38.1Very low47.3Very low84 Ų84152.3 Ų152.387%0.86682%0.823SS**  trans-165.9108.1172.500000113.6
54A40.6Very low48.3Very low101 Ų101150.5 Ų150.584%0.83582%0.824SS**  trans-129.5126.5173.700000110.1
55R48.2Very low49.3Very low259 Ų259151.3 Ų151.398%0.97783%0.827SS**  trans-148.1146171.9-74.8-172.6174.2-125.61109.2
56G43.6Very low50.7Low72 Ų72151.4 Ų151.474%0.74283%0.825SS**  trans107.298.5166.200000114.8
57V46.4Very low50.8Low137 Ų137152 Ų15283%0.8383%0.832SS**  trans-110.8113.2167.3-178.20000108.3K59V57-K59 PolarHBondContact O-N 2.9Å
58P57.7Low51.2Low108 Ų108147.9 Ų147.970%0.70183%0.827SS**  trans-71.4121.4170.4-19.333.6000110.7
59K52.5Low52Low189 Ų189149.4 Ų149.482%0.82282%0.823SS**  trans-10291.1-174.8-168.7-175-173.4104.70110V57 K61V57-K59 PolarHBondContact O-N 2.9Å; K59-K61 PolarHBondContact O-N 3.23Å
60F55.7Low52.2Low195 Ų195149.7 Ų149.786%0.85582%0.824SS**PPolyproline II helixtrans-74.5118.6173.225.5-90.8000110.5
61K60.6Low52.4Low196 Ų196146.7 Ų146.785%0.85282%0.824SS**PPolyproline II helixtrans-81.5122.3173.7-68.9177.8169.8-1760109.1K59K59-K61 PolarHBondContact O-N 3.23Å
62S55.7Low53.2Low117 Ų117142.5 Ų142.582%0.81882%0.815SS**PPolyproline II helixtrans-76.4129161.447.80000109.4
63A64.4Low54.4Low95 Ų95135.4 Ų135.479%0.78580%0.8SS**PPolyproline II helixtrans-81.8131.2163.600000108.5
64Q61.5Low55.3Low184 Ų184137.6 Ų137.686%0.8680%0.8SS**PPolyproline II helixtrans-70.3133166.2-74.6178.8-63.800108.7
65P64.3Low55.8Low113 Ų113140.7 Ų140.773%0.73480%0.799SS**PPolyproline II helixtrans-66145.116329.5-33000109.2
66P65.8Low55.7Low119 Ų119133.7 Ų133.777%0.77379%0.789SS**PPolyproline II helixtrans-64.1136.417926.2-33.9000111.2L68P66-L68 PolarHBondContact O-N 3.44Å
67S54Low56.2Low117 Ų117137 Ų13782%0.81880%0.798SS**  trans-69.8111.3174.251.40000110.5
68L55Low56.2Low163 Ų163135.1 Ų135.185%0.85379%0.791SS**  trans-76.5125.6166.9-67.8175.3000109.4P66P66-L68 PolarHBondContact O-N 3.44Å
69P57.5Low55.7Low109 Ų109134.6 Ų134.671%0.70879%0.79SS**  trans-74.4146.5161.533.8-32.4000108.8
70I50.3Low55.6Low166 Ų166136.3 Ų136.385%0.85179%0.793SS**  trans161.4105.9149.4-84.2150.5000106.5
71S44.8Very low55.6Low112 Ų112136.2 Ų136.278%0.78379%0.792SS**PPolyproline II helixtrans-98.2117.8167.855.80000109.3
72P59.6Low55.2Low111 Ų111131.3 Ų131.372%0.72179%0.788SS**PPolyproline II helixtrans-78.8140.5161.731.1-30.3000109.9
73P65.2Low55.3Low96 Ų96130.8 Ų130.862%0.62378%0.775SS**PPolyproline II helixtrans-71.2156.5177.130.3-35.2000112M75P73-M75 PolarHBondContact O-N 3.39Å
74P58.9Low55Low131 Ų131130.4 Ų130.485%0.85177%0.765SS**PPolyproline II helixtrans-70.3124.217829.5-33.9000110.5
75M49.8Very low54.9Low166 Ų166128.3 Ų128.382%0.81877%0.767SS**  trans-111.2127.2177.7-48.8-144.687.200110P73P73-M75 PolarHBondContact O-N 3.39Å
76S47.2Very low54.5Low111 Ų111126.6 Ų126.678%0.77677%0.769SS**  trans-63140.9-177.7-64.20000112.4S78S76-S78 PolarHBondContact O-N 3.49Å
77P52.6Low54Low141 Ų141127.1 Ų127.192%0.91677%0.765SS**  trans-7494.3172.230.6-33.2000110.2
78S46.3Very low53.7Low99 Ų99125.7 Ų125.769%0.69276%0.755SS**  trans-145.2128.4170.5-178.40000110S76S76-S78 PolarHBondContact O-N 3.49Å
79S47.2Very low53.7Low96 Ų96123 Ų12367%0.67175%0.748SS**  trans55.195164-158.60000118.4
80Y51Low53.7Low226 Ų226121.5 Ų121.589%0.88674%0.744SS**  trans-134.678.7146.5-87.5-78.9000110.1
81F56.3Low53.9Low193 Ų193121.6 Ų121.685%0.84674%0.741SS**  trans-95.189.4153.4-80.7-80000107.8I83F81-I83 PolarHBondContact O-N 3.07Å
82A52.4Low54.5Low92 Ų92123.9 Ų123.976%0.7674%0.743SS**  trans-85.192.917200000109.1
83I56.7Low54.3Low106 Ų106126.6 Ų126.654%0.54475%0.751SS.*PPolyproline II helixtrans-79.6125.6171.4-63.4166.4000107.4F81F81-I83 PolarHBondContact O-N 3.07Å
84P57.9Low53.7Low88 Ų88128.9 Ų128.957%0.57176%0.758SS**PPolyproline II helixtrans-65.2138.2174.427-33.2000110.1G86P84-G86 PolarHBondContact O-N 3.11Å; P84-G86 VanDerWaalsContact O-N 3.16Å
85P60.5Low52.7Low140 Ų140128.4 Ų128.491%0.90976%0.757SS**THydrogen-bonded Turntrans-62.9119.2-179.525.9-33.7000110.2
86G54.7Low52.5Low76 Ų76125.1 Ų125.178%0.78475%0.749SS**THydrogen-bonded Turntrans146.4-23.2178.400000115P84P84-G86 PolarHBondContact O-N 3.11Å; P84-G86 VanDerWaalsContact O-N 3.16Å
87L57.2Low52.5Low131 Ų131125.6 Ų125.669%0.68675%0.747SS**  trans-104.6102.8178.6-61-178.5000111.1P89L87-P89 VanDerWaalsContact O-CD 3.28Å; L87-P89 WeakPolarHBondContact O-CD 3.29Å
88S47.5Very low52.3Low86 Ų86125.5 Ų125.560%0.60174%0.738SS**  trans-71.4118.31691790000110A90S88-A90 PolarHBondContact O-N 3.09Å
89P55.2Low52.3Low108 Ų108127.5 Ų127.570%0.70174%0.74SS**THydrogen-bonded Turntrans-75.312.9-179.3-18.734.8000115.2L87L87-P89 VanDerWaalsContact O-CD 3.28Å; L87-P89 WeakPolarHBondContact O-CD 3.29Å
90A56.6Low51.8Low76 Ų76130.5 Ų130.563%0.62874%0.743SS**THydrogen-bonded Turntrans-89.5-16.1-17400000115S88S88-A90 PolarHBondContact O-N 3.09Å
91E54.4Low51.1Low168 Ų168125.5 Ų125.579%0.78574%0.741SS**SBendtrans-90.6-5.8-170.3-64-91.811500114.2L93E91-L93 PolarHBondContact O-N 2.6Å; E91-L93 VanDerWaalsContact O-N 3.11Å
92L56.4Low50.4Low161 Ų161122.2 Ų122.284%0.84374%0.742SS**THydrogen-bonded Turntrans-79.814.7-171.5-89.8171.4000115.6
93L57.5Low50Low168 Ų168123 Ų12388%0.8874%0.742SS**THydrogen-bonded Turntrans-125.43.7-172.8-70.8178.5000115.8E91E91-L93 PolarHBondContact O-N 2.6Å; E91-L93 VanDerWaalsContact O-N 3.11Å
94D50.7Low49.7Very low144 Ų144125.1 Ų125.177%0.7775%0.754SS**  trans-139.387177.7-163.833.9000113.5
95S39.2Very low49.2Very low120 Ų120127.9 Ų127.984%0.83976%0.763SS**  trans-163.6100.8154.3-164.20000111.6
96P44.6Very low48.6Very low98 Ų98129.1 Ų129.164%0.63676%0.761SS**  trans-89175.116433.6-29.8000112.2
97V47.1Very low48.1Very low121 Ų121130.3 Ų130.373%0.73376%0.764SS**  trans81.4136.6162.6-1380000118.7
98L49.5Very low47.3Very low139 Ų139129.9 Ų129.973%0.72877%0.771SS**  trans77.2132.8162.3-49.1-178.5000116.1
99L45.3Very low47.2Very low140 Ų140131.5 Ų131.573%0.73378%0.78SS**  cis-142.3131.42.9-65.7174.1000109
100H37.8Very low47Very low159 Ų159132.8 Ų132.874%0.73679%0.786SS**  58.613392.6-58.9115.1000118.9
101S35.9Very low46.7Very low122 Ų122135.8 Ų135.885%0.85380%0.796SS**  trans103.579147.8-55.30000120.6
102S42Very low46.4Very low124 Ų124131.1 Ų131.187%0.86779%0.794SS**  trans-162.778.5136.550.70000112
103S43.1Very low45.8Very low108 Ų108128.4 Ų128.476%0.75580%0.795SS**  trans-73.5126167.850.40000110.8
104N50Low45.6Very low150 Ų150127.9 Ų127.980%0.80279%0.791SS**  trans-176.7140.4138.5-96.6-30.6000113.6
105I48.7Very low45.9Very low146 Ų146126.3 Ų126.375%0.74979%0.789SS**  trans78.784.2157.2-55154000117.9
106L47.1Very low46.2Very low167 Ų167125.6 Ų125.687%0.87479%0.79SS**  53.2113.4125.5-61.5171.6000120.5
107A44.3Very low46.3Very low101 Ų101129 Ų12984%0.83580%0.798SS**PPolyproline II helixtrans-102.1134.6158.600000111
108S39.5Very low46.1Very low121 Ų121135 Ų13585%0.84681%0.807SS**PPolyproline II helixtrans-77.2139.9-179.9-56.10000113
109P45.5Very low46.2Very low121 Ų121138 Ų13879%0.78682%0.815SS**PPolyproline II helixtrans-92.9120.917734.2-30.8000112.2
110T50.9Low46.6Very low135 Ų135136.4 Ų136.483%0.82881%0.807SS**  trans-162.7143.7160.7-860000111
111T51.6Low47.5Very low138 Ų138138 Ų13885%0.84781%0.806SS**SBendtrans73.1107.1-177.4-52.40000114.6
112G47.4Very low48.4Very low71 Ų71138.6 Ų138.673%0.73279%0.794SS**PPolyproline II helixtrans-75.1156.8-172.400000115.3
113A43.2Very low49Very low104 Ų104140.6 Ų140.686%0.8679%0.787SS**PPolyproline II helixtrans-75.4127.2174.100000111.4
114I54.8Low49.4Very low157 Ų157138.5 Ų138.581%0.80578%0.776SS**PPolyproline II helixtrans-82.7127.8163.6-62.6166.8000107.4A116I114-A116 PolarHBondContact O-N 3.48Å
115P55.7Low49.6Very low111 Ų111133.9 Ų133.972%0.72176%0.758SS**PPolyproline II helixtrans-65.6120.7174.626.5-32.9000110Q117P115-Q117 PolarHBondContact O-N 3.25Å
116A45.8Very low50Low105 Ų105132.4 Ų132.487%0.86875%0.752SS**  trans-72.486.4-179.800000111.3I114I114-A116 PolarHBondContact O-N 3.48Å
117Q47.5Very low50.3Low170 Ų170130.4 Ų130.479%0.79474%0.741SS**  trans-73.8132.6163.8-74.4-164.2-35.900110.6P115 F119P115-Q117 PolarHBondContact O-N 3.25Å; Q117-F119 PolarHBondContact O-N 3.42Å; Q117-F119 VanDerWaalsContact O-N 3.09Å
118R43.4Very low50.8Low247 Ų247132.4 Ų132.493%0.93274%0.737SS**  trans-75.893.6-171.4-168.2178.9-169.3160.80.9110.1D120R118-D120 PolarHBondContact O-N 3.35Å; R118-D120 VanDerWaalsContact O-N 3.11Å
119F50.3Low51.5Low202 Ų202130.1 Ų130.189%0.88673%0.725SS**  trans-66.6106.8175.7-90.6-91.1000111.4Q117 W121Q117-F119 PolarHBondContact O-N 3.42Å; Q117-F119 VanDerWaalsContact O-N 3.09Å; F119-W121 PolarHBondContact O-N 3.22Å
120D54.5Low51.7Low105 Ų105128.7 Ų128.756%0.56172%0.718SS**  trans-89.893.2174.5-164.2-12.7000110.5R118 K122 K123R118-D120 PolarHBondContact O-N 3.35Å; R118-D120 VanDerWaalsContact O-N 3.11Å; D120-K122 PolarHBondContact O-N 3.39Å; D120-K122 VanDerWaalsContact O-N 3.07Å; D120-K122 PolarHBondContact OD1-N 3.33Å; D120-K123 PolarHBondContact O-N 3.26Å
121W56.8Low51.6Low192 Ų192130.6 Ų130.673%0.72772%0.718SS**THydrogen-bonded Turntrans-61.6-15.7-174.866-86000114.4F119 A124F119-W121 PolarHBondContact O-N 3.22Å; W121-A124 PolarHBondContact O-N 3.13Å
122K53.2Low51.1Low136 Ų136128.6 Ų128.659%0.59171%0.709SS**THydrogen-bonded Turntrans-66.8-37.5-178.3-81.7-178.7168.8-178.60113.3D120 A124 A125D120-K122 PolarHBondContact O-N 3.39Å; D120-K122 VanDerWaalsContact O-N 3.07Å; D120-K122 PolarHBondContact OD1-N 3.33Å; K122-A124 VanDerWaalsContact C-N 3.26Å; K122-A124 PolarHBondContact O-N 3.25Å; K122-A125 PolarHBondContact O-N 3.24Å
123K54.8Low50.9Low166 Ų166134 Ų13472%0.72272%0.716SS**Hα-helixtrans-70.8-19.2179.2-76.9-173.1172.6-175.80114.1D120 A125D120-K123 PolarHBondContact O-N 3.26Å; K123-A125 VanDerWaalsContact C-N 3.35Å
124A51.5Low50.9Low63 Ų63137.5 Ų137.552%0.52171%0.714SS.*Hα-helixtrans-81-13.7178.400000113.5W121 K122W121-A124 PolarHBondContact O-N 3.13Å; K122-A124 VanDerWaalsContact C-N 3.26Å; K122-A124 PolarHBondContact O-N 3.25Å
125A56.1Low50.2Low53 Ų53137.6 Ų137.644%0.43872%0.716SS.*Hα-helixtrans-81.7-41.7177.300000112.2K122 K123 L127 I128 A129K122-A125 PolarHBondContact O-N 3.24Å; K123-A125 VanDerWaalsContact C-N 3.35Å; A125-L127 PolarHBondContact O-N 3.45Å; A125-I128 PolarHBondContact O-N 3.25Å; A125-A129 PolarHBondContact O-N 2.98Å
126D55.5Low49.3Very low116 Ų116135.5 Ų135.562%0.6272%0.715SS**Hα-helixtrans-69.4-32.3-175.1-64.2-28.7000112.8I128 A129 S130D126-I128 PolarHBondContact O-N 2.84Å; D126-A129 PolarHBondContact O-N 2.84Å; D126-A129 VanDerWaalsContact O-N 3.13Å; D126-S130 PolarHBondContact O-N 3.49Å
127L54.7Low49.1Very low124 Ų124137.9 Ų137.965%0.64971%0.713SS**Hα-helixtrans-67.1-16.6176.5-89.5158.4000114.5A125A125-L127 PolarHBondContact O-N 3.45Å
128I53.8Low48.9Very low143 Ų143134 Ų13473%0.73371%0.705SS**Hα-helixtrans-95-20.9175.4-59.5175.8000110.6A125 D126A125-I128 PolarHBondContact O-N 3.25Å; D126-I128 PolarHBondContact O-N 2.84Å
129A54.8Low48.7Very low74 Ų74133.3 Ų133.361%0.61270%0.702SS**Hα-helixtrans-84.9-17.9177.900000113.7A125 D126A125-A129 PolarHBondContact O-N 2.98Å; D126-A129 PolarHBondContact O-N 2.84Å; D126-A129 VanDerWaalsContact O-N 3.13Å
130S49.8Very low48.2Very low91 Ų91128.6 Ų128.664%0.63670%0.701SS**SBendtrans-95.714.5-175.671.20000115.2D126D126-S130 PolarHBondContact O-N 3.49Å
131Q47.8Very low47.4Very low175 Ų175128.7 Ų128.782%0.81872%0.716SS**SBendtrans-111.920.1-172.3-136174.281.400113.9
132S41.1Very low46.6Very low96 Ų96125 Ų12567%0.67173%0.726SS**SBendtrans-137.959.7-177.166.20000113.6
133Q44.2Very low46.1Very low184 Ų184122.1 Ų122.186%0.8674%0.735SS**  trans-172.8147.8159.4-108.2156.411.200110.5
134Q42.8Very low45.4Very low178 Ų178118 Ų11883%0.83274%0.74SS**  trans69146.8174.2-58.5177.2-2.800117
135D39.4Very low45.2Very low158 Ų158124.5 Ų124.585%0.84576%0.757SS**  cis-161.2178.5-37.2-117.2-49.9000108
136G37.4Very low44.7Very low68 Ų68129.3 Ų129.370%0.70178%0.775SS**  trans-72.6157.7-173.100000117.4
137D42.3Very low44.1Very low155 Ų155130.6 Ų130.683%0.82978%0.782SS**  trans91.8129.9141.3-126.4-34000122.5
138S42Very low43.6Very low88 Ų88133.8 Ų133.862%0.61579%0.791SS**  trans66.4106.5148.3-75.80000124.5
139R40.5Very low43.2Very low233 Ų233130.3 Ų130.388%0.87978%0.78SS**  trans64.2103.7132.3-79-174.3167.5113.3-3.9121.4
140A38.3Very low42.8Very low103 Ų103136.1 Ų136.185%0.85179%0.791SS**  60.897.7117.100000120.7
141A39.2Very low42.3Very low106 Ų106139.7 Ų139.788%0.87680%0.798SS**  trans-149.5134.6134.400000109
142A39.4Very low41.7Very low115 Ų115137.9 Ų137.995%0.9580%0.799SS**  trans-88134.2-175.700000112.1
143G43.3Very low41.6Very low76 Ų76137.9 Ų137.978%0.78481%0.805SS**  trans-162.7116.2170.700000108.3
144G40.5Very low41.1Very low80 Ų80135.8 Ų135.883%0.82581%0.805SS**  trans-89.6164.5-164.400000115.4
145F46.5Very low41.2Very low198 Ų198132.7 Ų132.787%0.86880%0.802SS**  trans-147.1142.7145.560.8-90000108.1
146D45.3Very low41.2Very low155 Ų155132.4 Ų132.483%0.82980%0.801SS**  trans-82.6158.8-158.7-62.8-86.3000116
147D42.1Very low41.1Very low143 Ų143133.8 Ų133.877%0.76581%0.806SS**  trans-77.5136.4-176.3178.437.3000113.3S149D147-S149 PolarHBondContact O-N 2.98Å
148F46.2Very low41.2Very low191 Ų191133.7 Ų133.784%0.83881%0.81SS**  trans-90.771.4174.1-94.7-84.7000110.9
149S45.3Very low40.8Very low70 Ų70140.5 Ų140.549%0.4982%0.823SS.*  trans-85.6120.7172.8-173.80000111.9D147 H151D147-S149 PolarHBondContact O-N 2.98Å; S149-H151 PolarHBondContact O-N 3.49Å
150F45.2Very low40.6Very low196 Ų196132.9 Ų132.986%0.8681%0.81SS**  trans-77.587.7177.9-75-90.2000111.6T152F150-T152 PolarHBondContact O-N 3.44Å
151H38.8Very low40.8Very low165 Ų165136.6 Ų136.676%0.76481%0.809SS**  trans-76.3108.3169.6-75.5-84.6000111.7S149 A153S149-H151 PolarHBondContact O-N 3.49Å; H151-A153 PolarHBondContact O-N 3.28Å; H151-A153 VanDerWaalsContact O-N 3.1Å
152T36.6Very low40.3Very low137 Ų137137.8 Ų137.884%0.8481%0.806SS**  trans-69.1100.1163.943.70000110.1F150 T154F150-T152 PolarHBondContact O-N 3.44Å; T152-T154 PolarHBondContact O-N 3.05Å
153A39.3Very low40.3Very low97 Ų97139 Ų13980%0.80280%0.801SS**  trans-81105.2177.100000111.6H151H151-A153 PolarHBondContact O-N 3.28Å; H151-A153 VanDerWaalsContact O-N 3.1Å
154T32.2Very low39.7Very low140 Ų140142 Ų14286%0.85981%0.805SS**  trans-75122.3162-580000108.7T152T152-T154 PolarHBondContact O-N 3.05Å
155S45.8Very low39.6Very low112 Ų112144.4 Ų144.478%0.78380%0.804SS**  trans-121.9147.4172.177.50000112.5
156N39.3Very low39.1Very low152 Ų152140.1 Ų140.181%0.81380%0.798SS**  trans-74.8144.7-161.9-72.6-34.3000115.4
157A35.8Very low38.9Very low97 Ų97140.9 Ų140.980%0.80280%0.801SS**  trans9.3122.1139.400000119.5
158V43.2Very low38.7Very low153 Ų153139.4 Ų139.493%0.92780%0.8SS**  trans-122.4144.7144175.80000107.9
159R34.1Very low37.9Very low231 Ų231135.1 Ų135.187%0.87279%0.794SS**  trans-103.7153.2-163.3-173-174.7-174.5-173.43.3112.1
160A35.7Very low37.5Very low74 Ų74141.3 Ų141.361%0.61281%0.812SS**  trans76.5152.9167.300000115.1
161H42.5Very low37.1Very low180 Ų180140 Ų14083%0.83381%0.808SS**  cis-134.8156.118.5-56.3-100.9000112.8
162T30.4Very low36.9Very low132 Ų132140.3 Ų140.381%0.8181%0.81SS**  trans-78.4135.1177.847.30000112.8
163T38.6Very low36.8Very low139 Ų139141.5 Ų141.585%0.85381%0.806SS**  trans-149.1119.9148.5-7.50000111
164T31.2Very low36.7Very low141 Ų141145.8 Ų145.887%0.86581%0.81SS**  trans-90.4123.3-178.2-52.10000109.9
165T38.3Very low36.6Very low130 Ų130147.1 Ų147.180%0.79881%0.806SS**  trans-138.1136.2165.7-420000110.7
166S36.6Very low36.1Very low108 Ų108150.2 Ų150.276%0.75581%0.808SS**PPolyproline II helixtrans-72.5146.5-168.642.10000115.4
167L39.6Very low36Very low170 Ų170152.4 Ų152.489%0.8981%0.814SS**PPolyproline II helixtrans-85.6131.9159-66.6169.4000109.4
168P38Very low35.9Very low113 Ų113153.2 Ų153.273%0.73481%0.809SS**PPolyproline II helixtrans-87.6137.9166.332.6-29.6000111.3
169S29.3Very low35.8Very low101 Ų101154.7 Ų154.771%0.70681%0.805SS**PPolyproline II helixtrans-64.8152161.7-168.70000110.2
170F36.7Very low35.8Very low200 Ų200152.9 Ų152.988%0.87780%0.804SS**  trans-136.4111.316157.9-90.4000110.2
171E36.9Very low36Very low167 Ų167154.3 Ų154.378%0.7882%0.816SS**  trans-101.9150.8169.3-81.1167.3105.100110
172E34.9Very low35.5Very low172 Ų172150.3 Ų150.380%0.80481%0.814SS**  trans72.9152.1147.8-147.1116.4132.300122.2
173E34Very low36Very low162 Ų162151 Ų15176%0.75782%0.817SS**  trans76.698.6154.3-100.9-176.599.300121.1
174Q37.1Very low36Very low188 Ų188150.1 Ų150.188%0.87981%0.814SS**  -159.9141.693.7-106166.853.900113.2
175Q31.4Very low36Very low168 Ų168148.9 Ų148.979%0.78581%0.811SS**  trans-109.4176.5178.9-64.1-178.64.100111.7
176Q34.7Very low36Very low177 Ų177148.3 Ų148.383%0.82781%0.812SS**  trans83.2109.9160.1-53.517723.600118
177Q37.1Very low35.7Very low198 Ų198150.5 Ų150.593%0.92582%0.816SS**  -150.4154.5104.8-163.5162.3-6.600110.6
178V34.4Very low35.5Very low114 Ų114154.1 Ų154.169%0.69182%0.818SS**  trans-120.8136.7-166.5168.50000111
179E39.5Very low35.1Very low184 Ų184153.3 Ų153.386%0.8682%0.82SS**  trans179.6123.7140.7-100.7179.8119.100107.9
180K35Very low35.4Very low192 Ų192154.6 Ų154.684%0.83583%0.829SS**  cis88.887.138.5-162.2-171.3-173.3-1750114.2
181A39.3Very low35Very low105 Ų105148.9 Ų148.987%0.86883%0.827SS**  trans-149.9127.8153.700000110.2
182A31.9Very low34.6Very low96 Ų96145.1 Ų145.179%0.79383%0.832SS**  trans-147122.8-179.100000110.7
183V41.4Very low34.4Very low146 Ų146140.6 Ų140.689%0.88583%0.832SS**  trans-162.9159.9169.4-109.40000109.6
184P38Very low34.4Very low120 Ų120140 Ų14078%0.77983%0.834SS**  -129.2-172.4-111.842.5-27000115.8
185S31.2Very low34.4Very low116 Ų116134.5 Ų134.581%0.81183%0.828SS**  trans-46.1145.9176.7-48.40000116.3
186S38.6Very low34.9Very low117 Ų117131.1 Ų131.182%0.81882%0.815SS**  trans-147.2130.2143.3-1660000111.9
187N31.3Very low35.4Very low154 Ų154126.8 Ų126.882%0.82480%0.801SS**  trans-77.8133.2178.8-71.5-39.4000111.1
188R34.1Very low35.9Very low247 Ų247126.4 Ų126.493%0.93280%0.797SS**  trans-137.9105.8145.2-74.8-163.1172.3171.2-1.5111.2
189A30.8Very low36.8Very low96 Ų96125.4 Ų125.479%0.79379%0.787SS**  trans-74.2134.5166.200000110.3
190S34.8Very low38.1Very low128 Ų128122.1 Ų122.190%0.89577%0.771SS**  trans-172.4142.8161-85.90000111.6
191G29.4Very low40.2Very low80 Ų80114.3 Ų114.383%0.82574%0.739SS**  trans8699.5154.700000117
192G27.6Very low42.3Very low87 Ų87110.3 Ų110.390%0.89771%0.707SS**  trans-68.5172.1177.700000116.6
193G31.2Very low45.1Very low77 Ų77108 Ų10879%0.79468%0.679SS**  trans17558.3-178.600000117.7G195G193-G195 PolarHBondContact O-N 3.32Å
194N33.4Very low47.5Very low150 Ų150104.9 Ų104.980%0.80266%0.657SS**  trans26.757.1154.4-82.8-19.4000119.8
195G37.1Very low50.2Low73 Ų73101.4 Ų101.475%0.75363%0.628SS**  trans-80.2-15.2175.500000116G193G193-G195 PolarHBondContact O-N 3.32Å
196N42Very low53.3Low96 Ų96103.2 Ų103.251%0.51362%0.617SS.*SBendtrans-102.216.1-163-169.968.7000115.1R238N196-R238 PolarHBondContact ND2-NH2 3.1Å; N196-R238 PolarHBondContact OD1-NH1 3.36Å; N196-R238 PolarHBondContact OD1-NH2 3.09Å
197T45.7Very low56Low87 Ų87102.4 Ų102.453%0.53460%0.599SS.*  trans-94.92.9-177.848.80000114.4
198K46.2Very low59.2Low190 Ų190100.7 Ų100.783%0.82658%0.582SS**THydrogen-bonded Turntrans-99.315.9-163-146.7-177.2176.5-174.30116.6
199L54.3Low62.1Low92 Ų9290.1 Ų90.148%0.48255%0.55SS..THydrogen-bonded Turntrans-128.641.8168.2-68.7175.9000110.1D201 I245L199-D201 PolarHBondContact O-N 3.38Å; L199-I245 HydrophobicContact CD1-CD1 4.31Å
200E66.1Low65.3Low115 Ų11590.8 Ų90.854%0.53754%0.536SS..  trans-70.194.8175.6-167.8163.1-143.700108.7G202E200-G202 PolarHBondContact O-N 2.65Å
201D79.3Confident68.2Low29 Ų2990.9 Ų90.916%0.15552%0.521CS..  trans-62.15.6176.257.835000113.7L199 Y203 W205 K234 Y250 K258L199-D201 PolarHBondContact O-N 3.38Å; D201-Y203 PolarHBondContact O-N 2.68Å; D201-Y203 WeakPolarHBondContact OD1-CB 3.5Å; D201-Y203 PolarHBondContact OD1-N 3.03Å; D201-W205 PolarHBondContact OD1-NE1 3.4Å; D201-W205 WeakPolarHBondContact OD2-CZ2 3.32Å; D201-W205 PolarHBondContact OD2-NE1 3.33Å; D201-K234 IonicContact OD2-NZ 2.68Å; D201-K234 PolarHBondContact OD2-NZ 2.76Å; D201-Y250 PolarHBondContact OD2-OH 2.76Å; D201-K258 WeakPolarHBondContact O-CE 3.46Å; D201-K258 PolarHBondContact O-NZ 2.82Å
202G84.6Confident71.2Confident20 Ų2092.5 Ų92.521%0.20651%0.507CS..SBendtrans75.42.5179.100000114.2E200 K258 P259E200-G202 PolarHBondContact O-N 2.65Å; G202-K258 WeakPolarHBondContact O-CG 3.36Å; G202-P259 WeakPolarHBondContact O-CD 3.38Å
203Y90.9Very high74.1Confident49 Ų4989.7 Ų89.719%0.19247%0.472CS..SBendtrans-95.1146.9164.6-63.4-73.5000110.1D201 W205 H254 H256 K258D201-Y203 PolarHBondContact O-N 2.68Å; D201-Y203 WeakPolarHBondContact OD1-CB 3.5Å; D201-Y203 PolarHBondContact OD1-N 3.03Å; Y203-W205 PolarHBondContact O-NE1 2.75Å; Y203-W205 VanDerWaalsContact O-NE1 3.12Å; Y203-H254 AromaticContact CD1-CE1 3.38Å; Y203-H254 WeakPolarHBondContact CD1-CE1 3.39Å; Y203-H254 AromaticContact CD1-CG 3.97Å; Y203-H254 AromaticContact CD1-ND1 3.56Å; Y203-H254 AromaticContact CD1-NE2 3.7Å; Y203-H254 AromaticContact CD2-CD2 3.9Å; Y203-H254 AromaticContact CD2-CE1 3.77Å; Y203-H254 AromaticContact CD2-NE2 3.3Å; Y203-H254 VanDerWaalsContact CD2-NE2 3.3Å; Y203-H254 WeakPolarHBondContact CD2-NE2 3.41Å; Y203-H254 HydrophobicContact CE1-CB 4.1Å; Y203-H254 AromaticContact CE1-CD2 3.65Å; Y203-H254 AromaticContact CE1-CE1 3.75Å; Y203-H254 AromaticContact CE1-CG 3.53Å; Y203-H254 AromaticContact CE1-ND1 3.61Å; Y203-H254 AromaticContact CE1-NE2 3.8Å; Y203-H254 AromaticContact CE2-CD2 3.47Å; Y203-H254 VanDerWaalsContact CE2-CD2 3.47Å; Y203-H254 WeakPolarHBondContact CE2-CD2 3.35Å; Y203-H254 AromaticContact CE2-NE2 3.39Å; Y203-H254 WeakPolarHBondContact CE2-NE2 3.38Å; Y203-H254 AromaticContact CG-CE1 3.37Å; Y203-H254 AromaticContact CG-NE2 3.43Å; Y203-H254 AromaticContact CZ-CD2 3.33Å; Y203-H254 AromaticContact CZ-CG 3.66Å; Y203-H254 AromaticContact CZ-NE2 3.64Å; Y203-H256 AromaticContact CD1-CE1 3.78Å; Y203-K258 HydrophobicContact CD1-CB 4.36Å; Y203-K258 HydrophobicContact CD1-CG 4.19Å; Y203-K258 HydrophobicContact CE1-CB 3.78Å; Y203-K258 HydrophobicContact CE1-CG 4.04Å; Y203-K258 VanDerWaalsContact CZ-CE 3.44Å
204N91.7Very high76.7Confident79 Ų7996.1 Ų96.142%0.42248%0.478SS..  trans-82.3130.7174.5-69-21.7000109C225 T226N204-C225 WeakPolarHBondContact O-CA 3.43Å; N204-T226 HydrophobicContact CB-CG2 4.01Å; N204-T226 WeakPolarHBondContact CB-OG1 3.26Å; N204-T226 PolarHBondContact O-N 3.33Å
205W94.3Very high79.1Confident47 Ų4792.6 Ų92.618%0.17848%0.477CS..EExtended strand (participates in β ladder)trans-124.2140.4-177.9-58.589.8000112.2D201 Y203 Y223 K224 M232 K234 Y250D201-W205 PolarHBondContact OD1-NE1 3.4Å; D201-W205 WeakPolarHBondContact OD2-CZ2 3.32Å; D201-W205 PolarHBondContact OD2-NE1 3.33Å; Y203-W205 PolarHBondContact O-NE1 2.75Å; Y203-W205 VanDerWaalsContact O-NE1 3.12Å; W205-Y223 HydrophobicContact CB-CD1 4.23Å; W205-K224 WeakPolarHBondContact CA-O 3.4Å; W205-M232 HydrophobicContact CH2-CG 3.48Å; W205-M232 VanDerWaalsContact CH2-CG 3.48Å; W205-M232 HydrophobicContact CZ3-CG 3.88Å; W205-K234 VanDerWaalsContact CD1-NZ 3.34Å; W205-K234 HydrophobicContact CD2-CD 3.84Å; W205-K234 HydrophobicContact CD2-CG 4.17Å; W205-K234 VanDerWaalsContact CE2-CE 3.47Å; W205-K234 HydrophobicContact CE3-CD 3.91Å; W205-K234 HydrophobicContact CE3-CG 3.73Å; W205-K234 HydrophobicContact CH2-CB 4.18Å; W205-K234 HydrophobicContact CH2-CD 3.86Å; W205-K234 HydrophobicContact CH2-CG 4.05Å; W205-K234 HydrophobicContact CZ2-CD 3.8Å; W205-K234 HydrophobicContact CZ2-CG 4.47Å; W205-K234 HydrophobicContact CZ3-CB 3.98Å; W205-K234 HydrophobicContact CZ3-CD 3.92Å; W205-K234 HydrophobicContact CZ3-CG 3.67Å; W205-Y250 AromaticContact CH2-CD1 3.89Å; W205-Y250 HydrophobicContact CH2-CD1 3.89Å; W205-Y250 AromaticContact CH2-CE1 3.83Å; W205-Y250 HydrophobicContact CH2-CE1 3.83Å; W205-Y250 HydrophobicContact CZ2-CD1 4.28Å; W205-Y250 AromaticContact CZ2-CE1 3.77Å; W205-Y250 HydrophobicContact CZ2-CE1 3.77Å
206R95.5Very high81.2Confident154 Ų15490.3 Ų90.358%0.58145%0.449SS*.EExtended strand (participates in β ladder)trans-113.3127167-84.7163-172.5140.14.4109.3Y208 Y223 K224 T226R206-Y208 PolarHBondContact O-N 2.8Å; R206-Y223 CarbonylContact O-C 3.58Å; R206-Y223 VanDerWaalsContact O-CA 3.28Å; R206-Y223 WeakPolarHBondContact O-CA 3.47Å; R206-K224 PolarHBondContact N-O 3.01Å; R206-K224 PolarHBondContact O-N 2.9Å; R206-T226 HydrophobicContact CB-CG2 4.08Å; R206-T226 HydrophobicContact CG-CG2 3.53Å
207K96.8Very high83.3Confident101 Ų10192.3 Ų92.344%0.43946%0.456SS..EExtended strand (participates in β ladder)trans-63.9129.4168.3-172.4-173.9-79.9-166.30107.3S221 Y222 Y223K207-S221 WeakPolarHBondContact CE-OG 3.45Å; K207-S221 PolarHBondContact NZ-OG 2.84Å; K207-S221 VanDerWaalsContact NZ-OG 3.15Å; K207-Y222 CarbonylContact C-O 3.49Å; K207-Y222 WeakPolarHBondContact CA-O 3.24Å; K207-Y222 WeakPolarHBondContact CG-O 3.37Å; K207-Y223 HydrophobicContact CB-CD1 3.86Å; K207-Y223 HydrophobicContact CB-CE1 3.75Å; K207-Y223 HydrophobicContact CG-CE1 4.27Å
208Y96.7Very high85.1Confident117 Ų11790 Ų9046%0.45944%0.44SS..EExtended strand (participates in β ladder)trans-117.3-9.6176.872.8-98.2000113.1R206 Y222 Y223 K224 K233R206-Y208 PolarHBondContact O-N 2.8Å; Y208-Y222 PolarHBondContact N-O 2.86Å; Y208-Y223 VanDerWaalsContact CD1-C 3.46Å; Y208-Y223 VanDerWaalsContact CE1-C 3.48Å; Y208-Y223 WeakPolarHBondContact CE1-O 3.38Å; Y208-K224 HydrophobicContact CD1-CB 3.91Å; Y208-K224 HydrophobicContact CD1-CD 4.49Å; Y208-K224 HydrophobicContact CD1-CG 4.08Å; Y208-K224 HydrophobicContact CE1-CB 4.31Å; Y208-K233 HydrophobicContact CE1-CG 4.5Å
209G96.2Very high87.3Confident25 Ų2582.3 Ų82.326%0.25841%0.41SS..EExtended strand (participates in β ladder)trans-168.8165.4179.500000112.6Y222G209-Y222 PolarHBondContact N-O 2.86Å; G209-Y222 PolarHBondContact O-N 3.48Å
210Q96.8Very high89.2Confident110 Ų11080.6 Ų80.651%0.51440%0.397SS..EExtended strand (participates in β ladder)trans-147.8136.1177.4-176.2166-65.600107.8P219 R220Q210-P219 HydrophobicContact CG-CB 3.61Å; Q210-P219 HydrophobicContact CG-CG 4.11Å; Q210-P219 VanDerWaalsContact NE2-CG 3.35Å; Q210-R220 CarbonylContact C-O 3.53Å; Q210-R220 VanDerWaalsContact CA-O 3.32Å; Q210-R220 WeakPolarHBondContact CA-O 3.39Å
211K95.8Very high90.5Very high131 Ų13175.3 Ų75.357%0.5737%0.372SS*.EExtended strand (participates in β ladder)trans-129.2128.3178.9-170.8172.4-178.7171.80109.1V213 R220 Y222K211-V213 PolarHBondContact O-N 2.87Å; K211-R220 PolarHBondContact N-O 2.8Å; K211-R220 WeakPolarHBondContact O-CB 3.3Å; K211-R220 PolarHBondContact O-N 3.08Å; K211-Y222 HydrophobicContact CB-CE2 3.81Å
212Q94Very high91.4Very high114 Ų11476.5 Ų76.553%0.53338%0.375SS..PPolyproline II helixtrans-62.7132.7169.2-161.964.215.700108.8S216 E217Q212-S216 PolarHBondContact NE2-O 2.92Å; Q212-S216 VanDerWaalsContact NE2-O 3.14Å; Q212-E217 PolarHBondContact NE2-O 2.99Å
213V88.1Confident92Very high28 Ų2877.3 Ų77.317%0.1737%0.372CS..PPolyproline II helixtrans-96124.4176.9173.60000107.6K211 G215 S216 R220K211-V213 PolarHBondContact O-N 2.87Å; V213-G215 PolarHBondContact O-N 2.74Å; V213-S216 WeakPolarHBondContact CB-OG 3.34Å; V213-S216 PolarHBondContact O-N 3.35Å; V213-S216 VanDerWaalsContact O-N 3.09Å; V213-S216 VanDerWaalsContact O-O 3.13Å; V213-R220 HydrophobicContact CG2-CB 3.42Å; V213-R220 VanDerWaalsContact CG2-CB 3.42Å; V213-R220 HydrophobicContact CG2-CG 4.38Å
214K86.4Confident92.2Very high212 Ų21280.1 Ų80.192%0.92239%0.385SS*.THydrogen-bonded Turntrans-60.8120.3176.3-174.772.1174.7-178.10108
215G82.1Confident92.4Very high75 Ų7576.7 Ų76.777%0.77337%0.368SS*.THydrogen-bonded Turntrans940.8-177.500000116V213V213-G215 PolarHBondContact O-N 2.74Å
216S81.3Confident92.4Very high25 Ų2576.4 Ų76.418%0.17537%0.371CS..  trans-132.8136.8167.970.60000112.9Q212 V213 N218Q212-S216 PolarHBondContact NE2-O 2.92Å; Q212-S216 VanDerWaalsContact NE2-O 3.14Å; V213-S216 WeakPolarHBondContact CB-OG 3.34Å; V213-S216 PolarHBondContact O-N 3.35Å; V213-S216 VanDerWaalsContact O-N 3.09Å; V213-S216 VanDerWaalsContact O-O 3.13Å; S216-N218 VanDerWaalsContact C-N 3.25Å; S216-N218 PolarHBondContact O-N 3.31Å; S216-N218 PolarHBondContact OG-O 3.35Å
217E85.9Confident92.3Very high139 Ų13973.6 Ų73.665%0.6536%0.361SS*.SBendtrans-56.4-42.3172-174.754.1-137.600111.2Q212 L240Q212-E217 PolarHBondContact NE2-O 2.99Å; E217-L240 HydrophobicContact CB-CD1 3.53Å; E217-L240 VanDerWaalsContact N-CD1 3.3Å
218N85.2Confident92.2Very high38 Ų3874.9 Ų74.920%0.20337%0.368CS..SBendtrans-78.2128.4-174.5-80.6-75.1000112.9S216 R238 A239 L240S216-N218 VanDerWaalsContact C-N 3.25Å; S216-N218 PolarHBondContact O-N 3.31Å; S216-N218 PolarHBondContact OG-O 3.35Å; N218-R238 HydrophobicContact CB-CB 3.73Å; N218-A239 PolarHBondContact ND2-O 3.06Å; N218-L240 PolarHBondContact ND2-O 2.74Å
219P91.6Very high91.9Very high28 Ų2874.1 Ų74.118%0.18238%0.381CS..PPolyproline II helixtrans-80.2137.9-178.830.5-34.9000112.8Q210 S221Q210-P219 HydrophobicContact CG-CB 3.61Å; Q210-P219 HydrophobicContact CG-CG 4.11Å; Q210-P219 VanDerWaalsContact NE2-CG 3.35Å; P219-S221 PolarHBondContact O-N 2.89Å
220R93.2Very high91.8Very high56 Ų5673.9 Ų73.921%0.21137%0.374CS..EExtended strand (participates in β ladder)trans-72.2122.2175.9169.1-173.9-70.1168.30.1110.3Q210 K211 V213 Y222 K235 V236 E237Q210-R220 CarbonylContact C-O 3.53Å; Q210-R220 VanDerWaalsContact CA-O 3.32Å; Q210-R220 WeakPolarHBondContact CA-O 3.39Å; K211-R220 PolarHBondContact N-O 2.8Å; K211-R220 WeakPolarHBondContact O-CB 3.3Å; K211-R220 PolarHBondContact O-N 3.08Å; V213-R220 HydrophobicContact CG2-CB 3.42Å; V213-R220 VanDerWaalsContact CG2-CB 3.42Å; V213-R220 HydrophobicContact CG2-CG 4.38Å; R220-Y222 VanDerWaalsContact CD-OH 3.29Å; R220-Y222 WeakPolarHBondContact CD-OH 3.45Å; R220-Y222 HydrophobicContact CG-CD2 4.48Å; R220-Y222 HydrophobicContact CG-CE2 3.78Å; R220-K235 VanDerWaalsContact CD-CE 3.4Å; R220-K235 HydrophobicContact CG-CG 4.02Å; R220-K235 VanDerWaalsContact NE-CE 3.33Å; R220-V236 WeakPolarHBondContact CA-O 3.3Å; R220-E237 HydrophobicContact CG-CG 4.15Å; R220-E237 IonicContact CZ-OE1 3.24Å; R220-E237 VanDerWaalsContact CZ-OE1 3.24Å; R220-E237 IonicContact CZ-OE2 3.3Å; R220-E237 VanDerWaalsContact CZ-OE2 3.3Å; R220-E237 IonicContact NE-OE1 2.97Å; R220-E237 PolarHBondContact NE-OE1 3.42Å; R220-E237 IonicContact NE-OE2 3.12Å; R220-E237 PolarHBondContact NE-OE2 2.9Å; R220-E237 VanDerWaalsContact NE-OE2 3.12Å; R220-E237 IonicContact NH2-OE1 3.05Å; R220-E237 PolarHBondContact NH2-OE1 3.17Å; R220-E237 IonicContact NH2-OE2 2.68Å; R220-E237 PolarHBondContact NH2-OE2 3.21Å
221S95.1Very high91.6Very high4 Ų472.1 Ų72.13%0.02837%0.374CS..EExtended strand (participates in β ladder)trans-101.1139.1-176.3-70.30000111.9K207 P219 Y223 V236K207-S221 WeakPolarHBondContact CE-OG 3.45Å; K207-S221 PolarHBondContact NZ-OG 2.84Å; K207-S221 VanDerWaalsContact NZ-OG 3.15Å; P219-S221 PolarHBondContact O-N 2.89Å; S221-Y223 VanDerWaalsContact CB-CE2 3.44Å; S221-V236 PolarHBondContact N-O 3.27Å; S221-V236 PolarHBondContact O-N 3.44Å
222Y97.1Very high91.6Very high54 Ų5466.8 Ų66.821%0.21235%0.352CS..EExtended strand (participates in β ladder)trans-117.8132.4-178.9-63.7-101.9000111K207 Y208 G209 K211 R220 K235K207-Y222 CarbonylContact C-O 3.49Å; K207-Y222 WeakPolarHBondContact CA-O 3.24Å; K207-Y222 WeakPolarHBondContact CG-O 3.37Å; Y208-Y222 PolarHBondContact N-O 2.86Å; G209-Y222 PolarHBondContact N-O 2.86Å; G209-Y222 PolarHBondContact O-N 3.48Å; K211-Y222 HydrophobicContact CB-CE2 3.81Å; R220-Y222 VanDerWaalsContact CD-OH 3.29Å; R220-Y222 WeakPolarHBondContact CD-OH 3.45Å; R220-Y222 HydrophobicContact CG-CD2 4.48Å; R220-Y222 HydrophobicContact CG-CE2 3.78Å; Y222-K235 HydrophobicContact CD1-CB 4.41Å; Y222-K235 HydrophobicContact CD1-CG 4.35Å; Y222-K235 HydrophobicContact CE1-CG 4.04Å
223Y97Very high91.7Very high38 Ų3866.5 Ų66.515%0.14935%0.349CS..EExtended strand (participates in β ladder)trans-130.5146-174-58-99.4000111.4W205 R206 K207 Y208 S221 K233 K234 V236W205-Y223 HydrophobicContact CB-CD1 4.23Å; R206-Y223 CarbonylContact O-C 3.58Å; R206-Y223 VanDerWaalsContact O-CA 3.28Å; R206-Y223 WeakPolarHBondContact O-CA 3.47Å; K207-Y223 HydrophobicContact CB-CD1 3.86Å; K207-Y223 HydrophobicContact CB-CE1 3.75Å; K207-Y223 HydrophobicContact CG-CE1 4.27Å; Y208-Y223 VanDerWaalsContact CD1-C 3.46Å; Y208-Y223 VanDerWaalsContact CE1-C 3.48Å; Y208-Y223 WeakPolarHBondContact CE1-O 3.38Å; S221-Y223 VanDerWaalsContact CB-CE2 3.44Å; Y223-K233 CarbonylContact O-C 3.49Å; Y223-K233 VanDerWaalsContact O-CA 3.24Å; Y223-K233 WeakPolarHBondContact O-CA 3.34Å; Y223-K234 HydrophobicContact CD2-CG 4.27Å; Y223-K234 HydrophobicContact CG-CG 4.37Å; Y223-K234 PolarHBondContact N-O 2.9Å; Y223-K234 PolarHBondContact O-N 2.82Å; Y223-V236 HydrophobicContact CD2-CG2 3.82Å; Y223-V236 HydrophobicContact CE2-CB 3.98Å; Y223-V236 HydrophobicContact CE2-CG2 3.58Å
224K96.3Very high92Very high107 Ų10766.1 Ų66.147%0.46535%0.345SS..EExtended strand (participates in β ladder)trans-117.9150.2170.462.1-179.3-179.4-179.20109.4W205 R206 Y208 K233W205-K224 WeakPolarHBondContact CA-O 3.4Å; R206-K224 PolarHBondContact N-O 3.01Å; R206-K224 PolarHBondContact O-N 2.9Å; Y208-K224 HydrophobicContact CD1-CB 3.91Å; Y208-K224 HydrophobicContact CD1-CD 4.49Å; Y208-K224 HydrophobicContact CD1-CG 4.08Å; Y208-K224 HydrophobicContact CE1-CB 4.31Å; K224-K233 HydrophobicContact CB-CG 4.36Å
225C95Very high92.3Very high8 Ų858.6 Ų58.65%0.05431%0.312CS..EExtended strand (participates in β ladder)trans-60.6147.5170-169.70000110N204 C230 M232 H256N204-C225 WeakPolarHBondContact O-CA 3.43Å; C225-C230 HydrophobicContact CB-CB 4.04Å; C225-M232 HydrophobicContact CB-CB 4.26Å; C225-M232 PolarHBondContact N-O 2.93Å; C225-H256 PolarHBondContact SG-NE2 3.18Å
226T95.2Very high92.7Very high40 Ų4055.4 Ų55.425%0.24528%0.277CS..  trans-86.1-13.5-179.8650000114.6N204 R206N204-T226 HydrophobicContact CB-CG2 4.01Å; N204-T226 WeakPolarHBondContact CB-OG1 3.26Å; N204-T226 PolarHBondContact O-N 3.33Å; R206-T226 HydrophobicContact CB-CG2 4.08Å; R206-T226 HydrophobicContact CG-CG2 3.53Å
227Y93.1Very high93.1Very high95 Ų9555.4 Ų55.437%0.37328%0.275SS..SBendtrans-66.3142.4-179-168.7-94.6000110C230 H256Y227-C230 HydrophobicContact CD1-CB 4.4Å; Y227-C230 WeakPolarHBondContact O-CB 3.09Å; Y227-C230 PolarHBondContact O-N 3.5Å; Y227-H256 VanDerWaalsContact CB-CD2 3.46Å; Y227-H256 WeakPolarHBondContact CB-CD2 3.46Å; Y227-H256 WeakPolarHBondContact CB-NE2 3.27Å; Y227-H256 HydrophobicContact CD1-CB 3.54Å; Y227-H256 AromaticContact CD1-CD2 3.37Å; Y227-H256 WeakPolarHBondContact CD1-CD2 3.35Å; Y227-H256 AromaticContact CD1-CG 3.48Å; Y227-H256 VanDerWaalsContact CD1-CG 3.48Å; Y227-H256 HydrophobicContact CD2-CB 4.04Å; Y227-H256 AromaticContact CD2-CG 3.81Å; Y227-H256 AromaticContact CD2-ND1 3.93Å; Y227-H256 HydrophobicContact CE1-CB 3.41Å; Y227-H256 VanDerWaalsContact CE1-CB 3.41Å; Y227-H256 AromaticContact CE1-CG 3.92Å; Y227-H256 HydrophobicContact CE2-CB 3.89Å; Y227-H256 HydrophobicContact CG-CB 3.87Å; Y227-H256 AromaticContact CG-CD2 3.42Å; Y227-H256 VanDerWaalsContact CG-CD2 3.42Å; Y227-H256 AromaticContact CG-CG 3.43Å; Y227-H256 VanDerWaalsContact CG-CG 3.43Å; Y227-H256 AromaticContact CG-ND1 3.84Å; Y227-H256 AromaticContact CG-NE2 3.86Å
228H94Very high93.1Very high128 Ų12851.1 Ų51.159%0.59325%0.253SS*.THydrogen-bonded Turntrans-58.3144.4-179.464.164.4000110.2C230H228-C230 PolarHBondContact O-N 3.38Å
229S90Very high92.9Very high102 Ų10250.5 Ų50.571%0.71325%0.253SS*.THydrogen-bonded Turntrans50.514.1-178.456.50000117N255S229-N255 PolarHBondContact O-ND2 3.32Å
230C94Very high92.2Very high19 Ų1954.3 Ų54.313%0.12827%0.271CS..  trans-79.1126.3177.8-173.30000112.1C225 Y227 H228 N255 H256C225-C230 HydrophobicContact CB-CB 4.04Å; Y227-C230 HydrophobicContact CD1-CB 4.4Å; Y227-C230 WeakPolarHBondContact O-CB 3.09Å; Y227-C230 PolarHBondContact O-N 3.5Å; H228-C230 PolarHBondContact O-N 3.38Å; C230-N255 VanDerWaalsContact CA-OD1 3.31Å; C230-N255 WeakPolarHBondContact CA-OD1 3.32Å; C230-N255 WeakPolarHBondContact CB-OD1 3.35Å; C230-H256 PolarHBondContact SG-NE2 2.87Å
231S94Very high91.3Very high73 Ų7356.6 Ų56.651%0.5130%0.302SS..  trans-81.6-13.2-177.863.80000114.3K233 A253S231-K233 PolarHBondContact O-N 2.96Å; S231-A253 PolarHBondContact OG-O 2.79Å
232M95.5Very high90.5Very high20 Ų2059.7 Ų59.710%0.09932%0.318CS..  trans-65129.2-174.5-175.966.382.100113.2W205 C225 Y250 G252 H254W205-M232 HydrophobicContact CH2-CG 3.48Å; W205-M232 VanDerWaalsContact CH2-CG 3.48Å; W205-M232 HydrophobicContact CZ3-CG 3.88Å; C225-M232 HydrophobicContact CB-CB 4.26Å; C225-M232 PolarHBondContact N-O 2.93Å; M232-Y250 HydrophobicContact SD-CD1 4.39Å; M232-G252 WeakPolarHBondContact CE-O 3.46Å; M232-H254 WeakPolarHBondContact CG-NE2 3.06Å
233K96.2Very high89.7Confident107 Ų10758.1 Ų58.147%0.46532%0.318SS..EExtended strand (participates in β ladder)trans-128150.9174.9-63.1170.5-171.2172.60110Y208 Y223 K224 S231 Y250 K251Y208-K233 HydrophobicContact CE1-CG 4.5Å; Y223-K233 CarbonylContact O-C 3.49Å; Y223-K233 VanDerWaalsContact O-CA 3.24Å; Y223-K233 WeakPolarHBondContact O-CA 3.34Å; K224-K233 HydrophobicContact CB-CG 4.36Å; S231-K233 PolarHBondContact O-N 2.96Å; K233-Y250 CarbonylContact O-C 3.58Å; K233-Y250 WeakPolarHBondContact O-CA 3.29Å; K233-K251 PolarHBondContact N-O 2.83Å; K233-K251 PolarHBondContact O-N 2.84Å
234K93.1Very high89Confident21 Ų2162.6 Ų62.69%0.09133%0.334CS..EExtended strand (participates in β ladder)trans-133.9145.1168.571.9-178.2178.3-172.40112.9D201 W205 Y223 I248 V249 Y250D201-K234 IonicContact OD2-NZ 2.68Å; D201-K234 PolarHBondContact OD2-NZ 2.76Å; W205-K234 VanDerWaalsContact CD1-NZ 3.34Å; W205-K234 HydrophobicContact CD2-CD 3.84Å; W205-K234 HydrophobicContact CD2-CG 4.17Å; W205-K234 VanDerWaalsContact CE2-CE 3.47Å; W205-K234 HydrophobicContact CE3-CD 3.91Å; W205-K234 HydrophobicContact CE3-CG 3.73Å; W205-K234 HydrophobicContact CH2-CB 4.18Å; W205-K234 HydrophobicContact CH2-CD 3.86Å; W205-K234 HydrophobicContact CH2-CG 4.05Å; W205-K234 HydrophobicContact CZ2-CD 3.8Å; W205-K234 HydrophobicContact CZ2-CG 4.47Å; W205-K234 HydrophobicContact CZ3-CB 3.98Å; W205-K234 HydrophobicContact CZ3-CD 3.92Å; W205-K234 HydrophobicContact CZ3-CG 3.67Å; Y223-K234 HydrophobicContact CD2-CG 4.27Å; Y223-K234 HydrophobicContact CG-CG 4.37Å; Y223-K234 PolarHBondContact N-O 2.9Å; Y223-K234 PolarHBondContact O-N 2.82Å; K234-I248 HydrophobicContact CB-CG2 4.21Å; K234-I248 HydrophobicContact CD-CG2 4.1Å; K234-V249 CarbonylContact C-O 3.57Å; K234-V249 VanDerWaalsContact CA-O 3.27Å; K234-V249 WeakPolarHBondContact CA-O 3.41Å; K234-Y250 HydrophobicContact CB-CD1 3.75Å; K234-Y250 HydrophobicContact CB-CE1 3.92Å; K234-Y250 HydrophobicContact CB-CG 4.27Å; K234-Y250 HydrophobicContact CD-CD1 4.24Å; K234-Y250 HydrophobicContact CD-CE1 3.54Å; K234-Y250 HydrophobicContact CG-CE1 4.36Å
235K92.9Very high88.3Confident54 Ų5459.5 Ų59.524%0.23532%0.323CS..EExtended strand (participates in β ladder)trans-112.8125.3178.5176.4-155.1-169.8-152.30107.3R220 Y222 E237 I248 V249R220-K235 VanDerWaalsContact CD-CE 3.4Å; R220-K235 HydrophobicContact CG-CG 4.02Å; R220-K235 VanDerWaalsContact NE-CE 3.33Å; Y222-K235 HydrophobicContact CD1-CB 4.41Å; Y222-K235 HydrophobicContact CD1-CG 4.35Å; Y222-K235 HydrophobicContact CE1-CG 4.04Å; K235-E237 WeakPolarHBondContact CE-OE1 3.38Å; K235-E237 IonicContact NZ-OE1 2.58Å; K235-E237 PolarHBondContact NZ-OE1 3.2Å; K235-I248 CarbonylContact O-C 3.55Å; K235-I248 WeakPolarHBondContact O-CA 3.02Å; K235-V249 HydrophobicContact CB-CB 4.31Å; K235-V249 HydrophobicContact CD-CB 4.32Å; K235-V249 HydrophobicContact CD-CG2 4.37Å; K235-V249 PolarHBondContact N-O 2.79Å; K235-V249 PolarHBondContact O-N 3.19Å
236V92Very high87.8Confident7 Ų761.8 Ų61.84%0.04234%0.336CS..EExtended strand (participates in β ladder)trans-117.2126.6-176.9-178.70000109.1R220 S221 Y223 I245 Q247 I248R220-V236 WeakPolarHBondContact CA-O 3.3Å; S221-V236 PolarHBondContact N-O 3.27Å; S221-V236 PolarHBondContact O-N 3.44Å; Y223-V236 HydrophobicContact CD2-CG2 3.82Å; Y223-V236 HydrophobicContact CE2-CB 3.98Å; Y223-V236 HydrophobicContact CE2-CG2 3.58Å; V236-I245 HydrophobicContact CG1-CB 4.47Å; V236-I245 HydrophobicContact CG1-CD1 3.88Å; V236-I245 HydrophobicContact CG1-CG1 3.86Å; V236-I245 HydrophobicContact CG1-CG2 3.84Å; V236-Q247 WeakPolarHBondContact CA-O 3.48Å; V236-I248 HydrophobicContact CG2-CG1 4.38Å; V236-I248 HydrophobicContact CG2-CG2 4.25Å
237E88.7Confident87.2Confident25 Ų2564.4 Ų64.412%0.11735%0.346CS..EExtended strand (participates in β ladder)trans-115.5151.4177.2-49.5-156.8-162.100109.9R220 K235 I245 T246 Q247R220-E237 HydrophobicContact CG-CG 4.15Å; R220-E237 IonicContact CZ-OE1 3.24Å; R220-E237 VanDerWaalsContact CZ-OE1 3.24Å; R220-E237 IonicContact CZ-OE2 3.3Å; R220-E237 VanDerWaalsContact CZ-OE2 3.3Å; R220-E237 IonicContact NE-OE1 2.97Å; R220-E237 PolarHBondContact NE-OE1 3.42Å; R220-E237 IonicContact NE-OE2 3.12Å; R220-E237 PolarHBondContact NE-OE2 2.9Å; R220-E237 VanDerWaalsContact NE-OE2 3.12Å; R220-E237 IonicContact NH2-OE1 3.05Å; R220-E237 PolarHBondContact NH2-OE1 3.17Å; R220-E237 IonicContact NH2-OE2 2.68Å; R220-E237 PolarHBondContact NH2-OE2 3.21Å; K235-E237 WeakPolarHBondContact CE-OE1 3.38Å; K235-E237 IonicContact NZ-OE1 2.58Å; K235-E237 PolarHBondContact NZ-OE1 3.2Å; E237-I245 CarbonylContact O-C 3.57Å; E237-I245 VanDerWaalsContact O-CA 3.32Å; E237-I245 WeakPolarHBondContact O-CA 3.33Å; E237-T246 PolarHBondContact O-N 3.13Å; E237-T246 PolarHBondContact O-OG1 2.71Å; E237-Q247 HydrophobicContact CB-CB 4.08Å; E237-Q247 HydrophobicContact CG-CB 4.27Å; E237-Q247 PolarHBondContact N-O 2.79Å; E237-Q247 PolarHBondContact OE1-OE1 2.91Å
238R86.9Confident87Confident50 Ų5062.3 Ų62.319%0.18934%0.341CS..EExtended strand (participates in β ladder)trans-132.2146.4-175-69.7174.3-174.4-81.1-1.8110.5N196 N218 G243 R244 I245N196-R238 PolarHBondContact ND2-NH2 3.1Å; N196-R238 PolarHBondContact OD1-NH1 3.36Å; N196-R238 PolarHBondContact OD1-NH2 3.09Å; N218-R238 HydrophobicContact CB-CB 3.73Å; R238-G243 WeakPolarHBondContact CD-O 3.47Å; R238-G243 WeakPolarHBondContact CG-O 3.4Å; R238-G243 PolarHBondContact NH1-O 2.92Å; R238-R244 CarbonylContact C-O 3.46Å; R238-R244 WeakPolarHBondContact CA-O 3.45Å; R238-R244 WeakPolarHBondContact CB-O 3.37Å; R238-I245 HydrophobicContact CG-CG1 4.2Å
239A79.4Confident86.9Confident25 Ų2558.3 Ų58.321%0.20733%0.325CS..  trans-66.4152.5-179.700000111.2N218 D242 G243 R244 T246N218-A239 PolarHBondContact ND2-O 3.06Å; A239-D242 VanDerWaalsContact CB-OD1 3.31Å; A239-D242 WeakPolarHBondContact CB-OD1 3.4Å; A239-G243 PolarHBondContact O-N 2.79Å; A239-R244 PolarHBondContact N-O 3.13Å; A239-T246 HydrophobicContact CB-CG2 3.44Å; A239-T246 VanDerWaalsContact CB-CG2 3.44Å
240L77.1Confident87Confident108 Ų10858.3 Ų58.357%0.56531%0.31SS*.THydrogen-bonded Turntrans-60.1-46177.6173.660.2000112.3E217 N218E217-L240 HydrophobicContact CB-CD1 3.53Å; E217-L240 VanDerWaalsContact N-CD1 3.3Å; N218-L240 PolarHBondContact ND2-O 2.74Å
241A75.1Confident86.8Confident103 Ų10364.7 Ų64.785%0.85134%0.335SS*.THydrogen-bonded Turntrans-81.8-26.7-165.400000116
242D78.6Confident86.6Confident70 Ų7063.9 Ų63.937%0.37434%0.339SS..THydrogen-bonded Turntrans-140-2.1-164.663.712.1000115A239 R244A239-D242 VanDerWaalsContact CB-OD1 3.31Å; A239-D242 WeakPolarHBondContact CB-OD1 3.4Å; D242-R244 HydrophobicContact CB-CG 4.19Å; D242-R244 VanDerWaalsContact CG-CG 3.41Å; D242-R244 PolarHBondContact O-N 3.07Å; D242-R244 VanDerWaalsContact O-N 3.11Å; D242-R244 VanDerWaalsContact OD1-CB 3.27Å; D242-R244 WeakPolarHBondContact OD1-CB 3.36Å; D242-R244 WeakPolarHBondContact OD1-CG 3.22Å; D242-R244 PolarHBondContact OD1-N 3.45Å; D242-R244 WeakPolarHBondContact OD2-CD 3.49Å; D242-R244 WeakPolarHBondContact OD2-CG 3.49Å; D242-R244 IonicContact OD2-CZ 3.46Å; D242-R244 IonicContact OD2-NE 3.35Å; D242-R244 PolarHBondContact OD2-NE 3.03Å; D242-R244 IonicContact OD2-NH1 2.74Å; D242-R244 PolarHBondContact OD2-NH1 2.68Å
243G80Confident86.4Confident20 Ų2065.8 Ų65.821%0.20636%0.358CS..  trans65.16.8-176.500000115.3R238 A239R238-G243 WeakPolarHBondContact CD-O 3.47Å; R238-G243 WeakPolarHBondContact CG-O 3.4Å; R238-G243 PolarHBondContact NH1-O 2.92Å; A239-G243 PolarHBondContact O-N 2.79Å
244R80.9Confident86.2Confident132 Ų13262.6 Ų62.650%0.49835%0.345SS..  trans-67148.8175.2-65.3-177.5-163.5137.1-9.1109.8R238 A239 D242 T246R238-R244 CarbonylContact C-O 3.46Å; R238-R244 WeakPolarHBondContact CA-O 3.45Å; R238-R244 WeakPolarHBondContact CB-O 3.37Å; A239-R244 PolarHBondContact N-O 3.13Å; D242-R244 HydrophobicContact CB-CG 4.19Å; D242-R244 VanDerWaalsContact CG-CG 3.41Å; D242-R244 PolarHBondContact O-N 3.07Å; D242-R244 VanDerWaalsContact O-N 3.11Å; D242-R244 VanDerWaalsContact OD1-CB 3.27Å; D242-R244 WeakPolarHBondContact OD1-CB 3.36Å; D242-R244 WeakPolarHBondContact OD1-CG 3.22Å; D242-R244 PolarHBondContact OD1-N 3.45Å; D242-R244 WeakPolarHBondContact OD2-CD 3.49Å; D242-R244 WeakPolarHBondContact OD2-CG 3.49Å; D242-R244 IonicContact OD2-CZ 3.46Å; D242-R244 IonicContact OD2-NE 3.35Å; D242-R244 PolarHBondContact OD2-NE 3.03Å; D242-R244 IonicContact OD2-NH1 2.74Å; D242-R244 PolarHBondContact OD2-NH1 2.68Å; R244-T246 PolarHBondContact O-N 3.41Å
245I81.7Confident86.1Confident43 Ų4365.9 Ų65.922%0.22136%0.363CS..EExtended strand (participates in β ladder)trans-74.4117.9-178.2-64172.8000109.2L199 V236 E237 R238 I248L199-I245 HydrophobicContact CD1-CD1 4.31Å; V236-I245 HydrophobicContact CG1-CB 4.47Å; V236-I245 HydrophobicContact CG1-CD1 3.88Å; V236-I245 HydrophobicContact CG1-CG1 3.86Å; V236-I245 HydrophobicContact CG1-CG2 3.84Å; E237-I245 CarbonylContact O-C 3.57Å; E237-I245 VanDerWaalsContact O-CA 3.32Å; E237-I245 WeakPolarHBondContact O-CA 3.33Å; R238-I245 HydrophobicContact CG-CG1 4.2Å; I245-I248 HydrophobicContact CG2-CD1 4.02Å; I245-I248 HydrophobicContact CG2-CG1 3.55Å
246T85.5Confident86.1Confident55 Ų5564.2 Ų64.234%0.33736%0.356SS..EExtended strand (participates in β ladder)trans-93.5-27178.945.40000112.9E237 A239 R244E237-T246 PolarHBondContact O-N 3.13Å; E237-T246 PolarHBondContact O-OG1 2.71Å; A239-T246 HydrophobicContact CB-CG2 3.44Å; A239-T246 VanDerWaalsContact CB-CG2 3.44Å; R244-T246 PolarHBondContact O-N 3.41Å
247Q82.2Confident85.9Confident95 Ų9569 Ų6944%0.44439%0.388SS..EExtended strand (participates in β ladder)trans-150.8138.6-179.5-157.5-177.841.100111.2V236 E237 V249V236-Q247 WeakPolarHBondContact CA-O 3.48Å; E237-Q247 HydrophobicContact CB-CB 4.08Å; E237-Q247 HydrophobicContact CG-CB 4.27Å; E237-Q247 PolarHBondContact N-O 2.79Å; E237-Q247 PolarHBondContact OE1-OE1 2.91Å; Q247-V249 HydrophobicContact CG-CG2 3.88Å
248I89.8Confident85.9Confident52 Ų5273 Ų7327%0.26741%0.405SS..EExtended strand (participates in β ladder)trans-125117.6163.2-50.9-179000108.1K234 K235 V236 I245 Y250K234-I248 HydrophobicContact CB-CG2 4.21Å; K234-I248 HydrophobicContact CD-CG2 4.1Å; K235-I248 CarbonylContact O-C 3.55Å; K235-I248 WeakPolarHBondContact O-CA 3.02Å; V236-I248 HydrophobicContact CG2-CG1 4.38Å; V236-I248 HydrophobicContact CG2-CG2 4.25Å; I245-I248 HydrophobicContact CG2-CD1 4.02Å; I245-I248 HydrophobicContact CG2-CG1 3.55Å; I248-Y250 HydrophobicContact CB-CE2 4.11Å; I248-Y250 HydrophobicContact CG2-CD2 4.02Å; I248-Y250 HydrophobicContact CG2-CE1 4.43Å; I248-Y250 HydrophobicContact CG2-CE2 3.41Å; I248-Y250 VanDerWaalsContact CG2-CE2 3.41Å
249V91Very high85.7Confident43 Ų4372.6 Ų72.626%0.26141%0.408SS..EExtended strand (participates in β ladder)trans-108.8116.3176.6-1750000109K234 K235 Q247K234-V249 CarbonylContact C-O 3.57Å; K234-V249 VanDerWaalsContact CA-O 3.27Å; K234-V249 WeakPolarHBondContact CA-O 3.41Å; K235-V249 HydrophobicContact CB-CB 4.31Å; K235-V249 HydrophobicContact CD-CB 4.32Å; K235-V249 HydrophobicContact CD-CG2 4.37Å; K235-V249 PolarHBondContact N-O 2.79Å; K235-V249 PolarHBondContact O-N 3.19Å; Q247-V249 HydrophobicContact CG-CG2 3.88Å
250Y92.7Very high85.3Confident102 Ų10278.8 Ų78.840%0.444%0.437SS..EExtended strand (participates in β ladder)trans-90145.9174.6-64.1-95.1000110.4D201 W205 M232 K233 K234 I248D201-Y250 PolarHBondContact OD2-OH 2.76Å; W205-Y250 AromaticContact CH2-CD1 3.89Å; W205-Y250 HydrophobicContact CH2-CD1 3.89Å; W205-Y250 AromaticContact CH2-CE1 3.83Å; W205-Y250 HydrophobicContact CH2-CE1 3.83Å; W205-Y250 HydrophobicContact CZ2-CD1 4.28Å; W205-Y250 AromaticContact CZ2-CE1 3.77Å; W205-Y250 HydrophobicContact CZ2-CE1 3.77Å; M232-Y250 HydrophobicContact SD-CD1 4.39Å; K233-Y250 CarbonylContact O-C 3.58Å; K233-Y250 WeakPolarHBondContact O-CA 3.29Å; K234-Y250 HydrophobicContact CB-CD1 3.75Å; K234-Y250 HydrophobicContact CB-CE1 3.92Å; K234-Y250 HydrophobicContact CB-CG 4.27Å; K234-Y250 HydrophobicContact CD-CD1 4.24Å; K234-Y250 HydrophobicContact CD-CE1 3.54Å; K234-Y250 HydrophobicContact CG-CE1 4.36Å; I248-Y250 HydrophobicContact CB-CE2 4.11Å; I248-Y250 HydrophobicContact CG2-CD2 4.02Å; I248-Y250 HydrophobicContact CG2-CE1 4.43Å; I248-Y250 HydrophobicContact CG2-CE2 3.41Å; I248-Y250 VanDerWaalsContact CG2-CE2 3.41Å
251K89.1Confident84.7Confident153 Ų15378 Ų7867%0.66544%0.441SS*.EExtended strand (participates in β ladder)trans-143.4127.2176.3-69.3-164.2172.7-161.60110.5K233K233-K251 PolarHBondContact N-O 2.83Å; K233-K251 PolarHBondContact O-N 2.84Å
252G90.6Very high83.7Confident57 Ų5778.1 Ų78.159%0.58843%0.431SS*.SBendtrans102.4-166.9-176.300000112.5M232M232-G252 WeakPolarHBondContact CE-O 3.46Å
253A89.8Confident82.3Confident60 Ų6084.5 Ų84.550%0.49645%0.45SS..  trans-134.6153.3178.500000110.2S231S231-A253 PolarHBondContact OG-O 2.79Å
254H93.9Very high80.7Confident40 Ų4094.3 Ų94.319%0.18548%0.481CS..  trans-81.8125.2168.2-71.5-80000109.1Y203 M232 H256Y203-H254 AromaticContact CD1-CE1 3.38Å; Y203-H254 WeakPolarHBondContact CD1-CE1 3.39Å; Y203-H254 AromaticContact CD1-CG 3.97Å; Y203-H254 AromaticContact CD1-ND1 3.56Å; Y203-H254 AromaticContact CD1-NE2 3.7Å; Y203-H254 AromaticContact CD2-CD2 3.9Å; Y203-H254 AromaticContact CD2-CE1 3.77Å; Y203-H254 AromaticContact CD2-NE2 3.3Å; Y203-H254 VanDerWaalsContact CD2-NE2 3.3Å; Y203-H254 WeakPolarHBondContact CD2-NE2 3.41Å; Y203-H254 HydrophobicContact CE1-CB 4.1Å; Y203-H254 AromaticContact CE1-CD2 3.65Å; Y203-H254 AromaticContact CE1-CE1 3.75Å; Y203-H254 AromaticContact CE1-CG 3.53Å; Y203-H254 AromaticContact CE1-ND1 3.61Å; Y203-H254 AromaticContact CE1-NE2 3.8Å; Y203-H254 AromaticContact CE2-CD2 3.47Å; Y203-H254 VanDerWaalsContact CE2-CD2 3.47Å; Y203-H254 WeakPolarHBondContact CE2-CD2 3.35Å; Y203-H254 AromaticContact CE2-NE2 3.39Å; Y203-H254 WeakPolarHBondContact CE2-NE2 3.38Å; Y203-H254 AromaticContact CG-CE1 3.37Å; Y203-H254 AromaticContact CG-NE2 3.43Å; Y203-H254 AromaticContact CZ-CD2 3.33Å; Y203-H254 AromaticContact CZ-CG 3.66Å; Y203-H254 AromaticContact CZ-NE2 3.64Å; M232-H254 WeakPolarHBondContact CG-NE2 3.06Å; H254-H256 VanDerWaalsContact C-N 3.3Å; H254-H256 AromaticContact CG-NE2 3.92Å; H254-H256 AromaticContact ND1-CD2 3.99Å; H254-H256 AromaticContact ND1-CE1 3.56Å; H254-H256 AromaticContact ND1-NE2 3.04Å; H254-H256 PolarHBondContact ND1-NE2 3.32Å
255N90.8Very high78.9Confident90 Ų9094.6 Ų94.648%0.48149%0.492SS..SBendtrans-96.924.3174.459.5-11.2000112S229 C230S229-N255 PolarHBondContact O-ND2 3.32Å; C230-N255 VanDerWaalsContact CA-OD1 3.31Å; C230-N255 WeakPolarHBondContact CA-OD1 3.32Å; C230-N255 WeakPolarHBondContact CB-OD1 3.35Å
256H91.4Very high77Confident18 Ų1898.2 Ų98.28%0.08352%0.521CS..SBendtrans-151.9152.5-176.364.689.2000109.5Y203 C225 Y227 C230 H254Y203-H256 AromaticContact CD1-CE1 3.78Å; C225-H256 PolarHBondContact SG-NE2 3.18Å; Y227-H256 VanDerWaalsContact CB-CD2 3.46Å; Y227-H256 WeakPolarHBondContact CB-CD2 3.46Å; Y227-H256 WeakPolarHBondContact CB-NE2 3.27Å; Y227-H256 HydrophobicContact CD1-CB 3.54Å; Y227-H256 AromaticContact CD1-CD2 3.37Å; Y227-H256 WeakPolarHBondContact CD1-CD2 3.35Å; Y227-H256 AromaticContact CD1-CG 3.48Å; Y227-H256 VanDerWaalsContact CD1-CG 3.48Å; Y227-H256 HydrophobicContact CD2-CB 4.04Å; Y227-H256 AromaticContact CD2-CG 3.81Å; Y227-H256 AromaticContact CD2-ND1 3.93Å; Y227-H256 HydrophobicContact CE1-CB 3.41Å; Y227-H256 VanDerWaalsContact CE1-CB 3.41Å; Y227-H256 AromaticContact CE1-CG 3.92Å; Y227-H256 HydrophobicContact CE2-CB 3.89Å; Y227-H256 HydrophobicContact CG-CB 3.87Å; Y227-H256 AromaticContact CG-CD2 3.42Å; Y227-H256 VanDerWaalsContact CG-CD2 3.42Å; Y227-H256 AromaticContact CG-CG 3.43Å; Y227-H256 VanDerWaalsContact CG-CG 3.43Å; Y227-H256 AromaticContact CG-ND1 3.84Å; Y227-H256 AromaticContact CG-NE2 3.86Å; C230-H256 PolarHBondContact SG-NE2 2.87Å; H254-H256 VanDerWaalsContact C-N 3.3Å; H254-H256 AromaticContact CG-NE2 3.92Å; H254-H256 AromaticContact ND1-CD2 3.99Å; H254-H256 AromaticContact ND1-CE1 3.56Å; H254-H256 AromaticContact ND1-NE2 3.04Å; H254-H256 PolarHBondContact ND1-NE2 3.32Å
257P88.4Confident75.3Confident109 Ų109100.3 Ų100.371%0.70854%0.538SS*.PPolyproline II helixtrans-60.9153.1171.927.2-34.8000110.4
258K88.8Confident73.3Confident108 Ų10899.8 Ų99.847%0.4756%0.558SS.*PPolyproline II helixtrans-57.6120.4171.8-174.3167.4-70.9-167.10108.7D201 G202 Y203 L260D201-K258 WeakPolarHBondContact O-CE 3.46Å; D201-K258 PolarHBondContact O-NZ 2.82Å; G202-K258 WeakPolarHBondContact O-CG 3.36Å; Y203-K258 HydrophobicContact CD1-CB 4.36Å; Y203-K258 HydrophobicContact CD1-CG 4.19Å; Y203-K258 HydrophobicContact CE1-CB 3.78Å; Y203-K258 HydrophobicContact CE1-CG 4.04Å; Y203-K258 VanDerWaalsContact CZ-CE 3.44Å; K258-L260 PolarHBondContact O-N 2.8Å
259P83.7Confident70.8Confident41 Ų41101.4 Ų101.427%0.26659%0.588SS.*PPolyproline II helixtrans-59.5137.8-177.324.7-33.2000109.2G202 S261G202-P259 WeakPolarHBondContact O-CD 3.38Å; P259-S261 PolarHBondContact O-N 3.41Å
260L69.4Low68.1Low155 Ų155103.2 Ų103.281%0.81262%0.615SS**PPolyproline II helixtrans-57.4130.3172.1-64.1175.6000107.9K258 T262K258-L260 PolarHBondContact O-N 2.8Å; L260-T262 PolarHBondContact O-N 3.12Å
261S64.5Low65.3Low92 Ų92103.6 Ų103.664%0.64364%0.639SS**  trans-72.774.2-178.7-1710000109.8P259 R263P259-S261 PolarHBondContact O-N 3.41Å; S261-R263 VanDerWaalsContact C-N 3.27Å; S261-R263 PolarHBondContact O-N 3.09Å
262T54.1Low63Low105 Ų105100.8 Ų100.864%0.64465%0.645SS**  trans-74.383.9176.5-64.40000108.6L260 R264L260-T262 PolarHBondContact O-N 3.12Å; T262-R264 HydrophobicContact CG2-CB 4.05Å; T262-R264 HydrophobicContact CG2-CG 3.82Å; T262-R264 PolarHBondContact O-N 3.29Å
263R50.4Low60.5Low204 Ų204107 Ų10777%0.7766%0.658SS**  trans-68.787.8151.2-74.2-163.2174.9-131.2-2.3107.6S261 N265S261-R263 VanDerWaalsContact C-N 3.27Å; S261-R263 PolarHBondContact O-N 3.09Å; R263-N265 VanDerWaalsContact C-N 3.3Å; R263-N265 PolarHBondContact O-N 3.15Å
264R46.6Very low58Low226 Ų226112.7 Ų112.785%0.85368%0.675SS**  trans-67.192.2170.4-120.4-179.9-174-176.22108T262T262-R264 HydrophobicContact CG2-CB 4.05Å; T262-R264 HydrophobicContact CG2-CG 3.82Å; T262-R264 PolarHBondContact O-N 3.29Å
265N42.6Very low55.4Low138 Ų138117.7 Ų117.774%0.73870%0.702SS**  trans-79118.5163.9-152.985.9000107R263 S267R263-N265 VanDerWaalsContact C-N 3.3Å; R263-N265 PolarHBondContact O-N 3.15Å; N265-S267 PolarHBondContact O-N 3.45Å
266S41.5Very low52.9Low120 Ų120122.7 Ų122.784%0.83972%0.722SS**  trans-74.491.9-171.2-47.80000111.6
267S50.5Low50.4Low99 Ų99126.9 Ų126.969%0.69276%0.76SS**  trans-154143.3171.1-47.70000108.7N265N265-S267 PolarHBondContact O-N 3.45Å
268G39.4Very low47.9Very low83 Ų83125.3 Ų125.386%0.85676%0.764SS**  trans-63.6167.1179.600000112.8
269G37.2Very low45.5Very low87 Ų87127.8 Ų127.890%0.89778%0.783SS**  cis128.7124.312.900000109.5
270G35.2Very low43.6Very low81 Ų81131.9 Ų131.984%0.83581%0.812SS**  trans112.1106.6171.700000117.3
271A34Very low42.3Very low109 Ų109129.6 Ų129.690%0.90181%0.809SS**  trans16.3129.4147.900000123.9
272A39.5Very low41.3Very low95 Ų95132.8 Ų132.879%0.78582%0.818SS**  trans-169.9113.2131.200000106.4
273E38.7Very low40.6Very low187 Ų187133.1 Ų133.187%0.87483%0.825SS**  52.1101.469.4-81.8-99.998.900114.2
274E36.7Very low39.7Very low180 Ų180128 Ų12884%0.84183%0.826SS**  trans-160.8104.4141.9-171.2140.911700112.1
275L40.2Very low39.4Very low145 Ų145124.6 Ų124.676%0.75983%0.83SS**  trans31.6125.5145.4-70.8133.6000122.4
276Q39.1Very low39Very low194 Ų194123 Ų12391%0.90784%0.837SS**  -166.6116.8113-105.4167.52100115.4
277A37.8Very low38.8Very low106 Ų106121.9 Ų121.988%0.87683%0.834SS**  trans25.8133.5150.600000123.2
278G36.8Very low38.3Very low77 Ų77122.2 Ų122.279%0.79484%0.843SS**  trans166.283.5161.100000115.8
279N38.3Very low38.2Very low160 Ų160121.9 Ų121.986%0.85684%0.839SS**  trans-45.9140.2-177.4-59.5-2.2000116.4
280S43Very low38.1Very low126 Ų126123 Ų12388%0.88183%0.832SS**  -167.8142.2118.3-80.20000111.8
281S42.2Very low38.4Very low108 Ų108126.2 Ų126.276%0.75584%0.836SS**  trans-85.3157.5-170.946.90000114
282L42.7Very low38.6Very low159 Ų159124.1 Ų124.183%0.83283%0.825SS**  -175.1107.3121.7-95.9158.4000112.8
283S40.4Very low39Very low111 Ų111125 Ų12578%0.77682%0.823SS**  trans38.5117.6147.453.20000121.7
284A31.7Very low39.2Very low97 Ų97123.4 Ų123.480%0.80282%0.815SS**  trans-89.1159.6162.600000112.9
285V40.3Very low39.5Very low154 Ų154122.9 Ų122.993%0.93381%0.812SS**  trans-131.2140.6153.8-71.50000109
286A33.9Very low39.6Very low106 Ų106122 Ų12288%0.87682%0.818SS**  trans-136.8129.8-173.500000111.7
287A37.2Very low39.5Very low96 Ų96116.4 Ų116.479%0.79381%0.813SS**  trans-172.6120159.100000106
288A40.8Very low39.5Very low106 Ų106116 Ų11688%0.87681%0.809SS**  81.3118.859.800000113.5
289G36.9Very low39.9Very low75 Ų75118.3 Ų118.377%0.77381%0.808SS**  trans96.9140.9177.300000114.2
290C34.2Very low40Very low110 Ų110115.6 Ų115.674%0.74381%0.808SS**  cis168.7145.3-20.545.20000105.4
291T41.3Very low40.2Very low149 Ų149118.2 Ų118.291%0.91481%0.806SS**  trans58.3141.8168.161.10000116.9
292G39Very low40.2Very low65 Ų65120 Ų12067%0.6781%0.808SS**  cis-170.6-170.612.600000108.8
293P48.6Very low40.4Very low115 Ų115118.1 Ų118.175%0.74781%0.808SS**  trans-84.7-177.5-1600.820.1000113.6
294E41.4Very low40.5Very low153 Ų153117.8 Ų117.872%0.71581%0.805SS**  cis-161.1176.236.819.7-120.149.900114.2
295H42.7Very low41.4Very low169 Ų169119.3 Ų119.378%0.78281%0.805SS**  trans100.398.3165.1-64.5-80.6000121.2
296S42.7Very low42.2Very low126 Ų126118.4 Ų118.488%0.88180%0.8SS**  trans40.2138.9131.6-50.80000122.3
297G36.8Very low43.6Very low77 Ų77123.1 Ų123.179%0.79480%0.8SS**  cis-175.4172.53.600000112.9
298A39Very low44.9Very low97 Ų97122.3 Ų122.380%0.80280%0.801SS**  trans-85.2172.1-172.600000113.9
299T43.9Very low45.6Very low125 Ų125124.6 Ų124.677%0.76780%0.799SS**  -161.616376.840.10000114.4
300A41.9Very low47Very low104 Ų104128.7 Ų128.786%0.8680%0.803SS**  trans-147.9127.9159.200000109.4
301E47.2Very low48.1Very low180 Ų180132.3 Ų132.384%0.84181%0.809SS**  trans-151.2160.5174.158.5-163.9105.200112.9
302N41.8Very low49Very low146 Ų146130.2 Ų130.278%0.78181%0.807SS**  trans-143.8136.9-161.5158.9100.1000109
303S45.7Very low49.8Very low120 Ų120136.5 Ų136.584%0.83982%0.819SS**  trans-144120.517143.90000113
304S44.3Very low49.6Very low103 Ų103139.1 Ų139.172%0.7283%0.827SS**  trans-93.2152.1173.742.70000111.2
305V50.5Low49.7Very low130 Ų130134.9 Ų134.979%0.78882%0.824SS**  trans-100137.5176.8-66.60000112.1
306T55.8Low50.1Low135 Ų135131.4 Ų131.483%0.82882%0.819SS**  trans-138128.9169.947.20000108.1
307F64.9Low50.4Low204 Ų204132.4 Ų132.490%0.89581%0.81SS**  trans-86.4143175-71.7-87.3000110.3
308G62.9Low51.1Low79 Ų79137.5 Ų137.581%0.81481%0.805SS**  trans-82.3168.5-177.400000114
309D56.6Low51.7Low154 Ų154138.6 Ų138.682%0.82481%0.807SS**  trans-124.5135.7174.3-175.441000106.3
310D65.8Low51.8Low161 Ų161140.5 Ų140.586%0.86181%0.812SS**  trans-133.7121-175.2-111.9-64.2000108.7
311E56.7Low52.5Low187 Ų187139.2 Ų139.287%0.87481%0.809SS**  trans-88.1140-176.1-58.7-167.5117.700111.9
312A60.5Low52.7Low105 Ų105138.4 Ų138.487%0.86881%0.81SS**  trans-150.3138.7164.600000112.1
313E55.4Low53.7Low197 Ų197140.4 Ų140.492%0.92182%0.815SS**  trans-67.9161.5-178.5-65179.979.600114.8
314N45.9Very low54.3Low169 Ų169139.7 Ų139.790%0.90481%0.808SS**  136.7142.8126.1-170.119.3000113.2
315G43.7Very low54.3Low65 Ų65139.8 Ų139.867%0.6780%0.8SS**  trans125.461.9160.200000118.8
316S51.4Low54.5Low96 Ų96138.6 Ų138.667%0.67180%0.804SS**  trans-35.1133.7159.6158.50000116.8
317Q47.5Very low54.4Low146 Ų146140.2 Ų140.268%0.68280%0.8SS**  trans-169.188.3144.3-177.391.30.900113.7
318R51.4Low53.3Low185 Ų185140.8 Ų140.870%0.69880%0.796SS**  trans12.7128.8138.761.9-154.7138.6-132.5-7.6121.7
319S51.4Low52.5Low119 Ų119149.5 Ų149.583%0.83280%0.804SS**  -174.2126.8121.5-169.20000112.1
320D46.5Very low52.1Low165 Ų165149 Ų14988%0.88280%0.795SS**  trans-75.6166.1169.4-62.7-86.7000112.8
321G56.9Low50.9Low77 Ų77146.9 Ų146.979%0.79478%0.78SS**  trans-174.5100.1176.200000112.6
322D50.4Low50.6Low163 Ų163146.8 Ų146.887%0.87278%0.779SS**  trans-65.3163.3177.2-135-75.9000113.5
323E63.1Low50Low188 Ų188147.8 Ų147.888%0.87977%0.77SS**  trans160138.3133.6-163159.796.700112.4
324P59.8Low49.8Very low105 Ų105142.1 Ų142.168%0.68276%0.764SS**  trans-119.7166.6-155.843.4-34.1000118.5
325D43.9Very low49.9Very low106 Ų106143.3 Ų143.357%0.56776%0.764SS**  trans31.2115.8143-172.530.3000121.4K327D325-K327 WeakPolarHBondContact OD1-CG 3.41Å; D325-K327 PolarHBondContact OD1-N 3Å; D325-K327 VanDerWaalsContact OD2-CE 3.32Å; D325-K327 WeakPolarHBondContact OD2-CE 3.43Å; D325-K327 WeakPolarHBondContact OD2-CG 3.28Å; D325-K327 IonicContact OD2-NZ 2.6Å; D325-K327 PolarHBondContact OD2-NZ 2.76Å
326A55.1Low50Low105 Ų105147.9 Ų147.987%0.86877%0.773SS**  trans-124.999.1159.800000111.3
327K53.7Low49.8Very low169 Ų169152.2 Ų152.274%0.73578%0.783SS**  trans-67.3165.1-177.2-56.4176.5171.574.20114.2D325D325-K327 WeakPolarHBondContact OD1-CG 3.41Å; D325-K327 PolarHBondContact OD1-N 3Å; D325-K327 VanDerWaalsContact OD2-CE 3.32Å; D325-K327 WeakPolarHBondContact OD2-CE 3.43Å; D325-K327 WeakPolarHBondContact OD2-CG 3.28Å; D325-K327 IonicContact OD2-NZ 2.6Å; D325-K327 PolarHBondContact OD2-NZ 2.76Å
328R41Very low49.4Very low216 Ų216149 Ų14982%0.81579%0.79SS**  trans89.699.3138.3-164.5178.4-172.9153.7-0.8119.1
329W46.2Very low48.8Very low262 Ų262146 Ų14699%0.99280%0.796SS**  -130153.1118.3-140-80.1000110.2
330K47.7Very low48.4Very low143 Ų143146.1 Ų146.162%0.62280%0.798SS**  trans-122.5139.5-158160.6174.7165.9150.10110.5
331Q42Very low47.9Very low117 Ų117143.7 Ų143.755%0.54780%0.8SS.*  trans39.6130.3139.2-154.8162.913.400117.5D333Q331-D333 WeakPolarHBondContact CG-OD1 3.47Å; Q331-D333 VanDerWaalsContact CG-OD2 3.29Å; Q331-D333 WeakPolarHBondContact CG-OD2 3.24Å; Q331-D333 PolarHBondContact NE2-OD2 3.14Å
332E49.9Very low46.9Very low185 Ų185143.5 Ų143.586%0.86480%0.799SS**  -152.6103.582.4-149.4161.9121.900113.9
333D48.3Very low46.1Very low125 Ų125140.1 Ų140.167%0.66880%0.802SS**  trans33.6111.7132-48.8-26.2000120.1Q331Q331-D333 WeakPolarHBondContact CG-OD1 3.47Å; Q331-D333 VanDerWaalsContact CG-OD2 3.29Å; Q331-D333 WeakPolarHBondContact CG-OD2 3.24Å; Q331-D333 PolarHBondContact NE2-OD2 3.14Å
334G51Low45Very low78 Ų78134.6 Ų134.680%0.80480%0.795SS**  trans-152.4102.916300000109
335E46.8Very low44.1Very low194 Ų194133.3 Ų133.391%0.90780%0.802SS**  trans-68.5125.9-164.863.9-148.611200115.1
336N47Very low44.7Very low161 Ų161136.8 Ų136.886%0.86181%0.811SS**  trans-157.4122.3148.6-168.514.2000109.8
337E46.9Very low44.5Very low188 Ų188136.7 Ų136.788%0.87980%0.802SS**  trans-88.3142.7-167-48.6-171.6128.100111.7
338G39.6Very low44.2Very low79 Ų79135.8 Ų135.881%0.81481%0.811SS**  trans162.639.8177.400000118.4S340G338-S340 PolarHBondContact O-N 2.64Å
339S38.1Very low45.2Very low120 Ų120134.4 Ų134.484%0.83981%0.805SS**  trans-67.1123.3169.3-64.20000111.7
340S41.7Very low45.8Very low123 Ų123127.5 Ų127.586%0.8678%0.784SS**  trans-179.6148.3139-86.20000113.5G338G338-S340 PolarHBondContact O-N 2.64Å
341A37.6Very low46.8Very low113 Ų113125.8 Ų125.893%0.93479%0.788SS**  trans-72.7137.9175.700000112.2
342G35.1Very low48.7Very low74 Ų74126.5 Ų126.576%0.76379%0.785SS**  trans-178123.6174.800000112.7G344G342-G344 PolarHBondContact O-N 2.95Å; G342-G344 VanDerWaalsContact O-N 3.09Å
343G33.8Very low50.4Low91 Ų91122.6 Ų122.694%0.93877%0.77SS**  trans-74.395.5-176.200000113.8
344G40.4Very low52.4Low72 Ų72119.6 Ų119.674%0.74276%0.756SS**  trans-82.3112.417400000113.5G342 K346G342-G344 PolarHBondContact O-N 2.95Å; G342-G344 VanDerWaalsContact O-N 3.09Å; G344-K346 PolarHBondContact O-N 2.83Å
345G41.2Very low54.2Low79 Ų79118.4 Ų118.481%0.81473%0.733SS**PPolyproline II helixtrans-65.7121.6178.300000113.1
346K56Low56.4Low178 Ų178113.1 Ų113.177%0.77471%0.708SS**PPolyproline II helixtrans-72.8134172-67.3176.5179.2175.20109.3G344 V348G344-K346 PolarHBondContact O-N 2.83Å; K346-V348 PolarHBondContact O-N 2.91Å
347P50.9Low58.5Low104 Ų104107.5 Ų107.568%0.67568%0.68SS**PPolyproline II helixtrans-58.1134.3174.624-33.5000109.9R349P347-R349 PolarHBondContact O-N 3.41Å
348V47.9Very low60.6Low150 Ų150102.1 Ų102.191%0.90966%0.656SS**  trans-63106.8179.4175.50000108.1K346K346-V348 PolarHBondContact O-N 2.91Å
349R60.8Low63Low186 Ų18699.1 Ų99.170%0.70262%0.622SS**  trans-72.2151.8176.3-68.9-176.816988.9-2.9109.7P347P347-R349 PolarHBondContact O-N 3.41Å
350E59.7Low65.6Low118 Ų11898.4 Ų98.455%0.55161%0.609SS**  trans-43.7144.7179.8-170.3178.1170.600113R352 G417E350-R352 WeakPolarHBondContact O-CG 3.48Å; E350-R352 PolarHBondContact O-N 3.49Å; E350-G417 WeakPolarHBondContact OE1-CA 3.46Å; E350-G417 PolarHBondContact OE1-N 2.78Å
351P69.2Low67.9Low107 Ų10798 Ų9870%0.69560%0.596SS**  trans-57.9112.9176-24.634.9000111.9
352R80Confident70.5Confident132 Ų13295.5 Ų95.550%0.49857%0.567SS.*EExtended strand (participates in β ladder)trans-112.2125.4177.6-65.6167.1104.2-154.88.2109.6E350 H400 T414 Y415 E416E350-R352 WeakPolarHBondContact O-CG 3.48Å; E350-R352 PolarHBondContact O-N 3.49Å; R352-H400 PolarHBondContact NH2-NE2 3.45Å; R352-T414 HydrophobicContact CB-CG2 4.19Å; R352-Y415 VanDerWaalsContact CA-O 3.29Å; R352-Y415 WeakPolarHBondContact CA-O 3.35Å; R352-E416 HydrophobicContact CG-CG 4.24Å; R352-E416 IonicContact CZ-OE1 2.68Å; R352-E416 IonicContact NE-OE1 3.03Å; R352-E416 PolarHBondContact NE-OE1 3.01Å; R352-E416 IonicContact NH2-OE1 2.65Å; R352-E416 PolarHBondContact NH2-OE1 3.42Å
353L86Confident73.1Confident102 Ų10297.1 Ų97.153%0.53456%0.557SS.*EExtended strand (participates in β ladder)trans-92.4119.6174.4169.864000108.7V355 T414 Y415L353-V355 HydrophobicContact CD1-CG2 4.32Å; L353-V355 HydrophobicContact CD2-CG2 4.35Å; L353-V355 HydrophobicContact CG-CG2 4.07Å; L353-T414 CarbonylContact O-C 3.57Å; L353-T414 WeakPolarHBondContact O-CA 3.26Å; L353-Y415 HydrophobicContact CD2-CD2 4.29Å; L353-Y415 HydrophobicContact CG-CD2 4.3Å; L353-Y415 PolarHBondContact N-O 2.91Å; L353-Y415 PolarHBondContact O-N 2.82Å
354V90.6Very high75.8Confident63 Ų6395.6 Ų95.638%0.38253%0.527SS..EExtended strand (participates in β ladder)trans-107.4122.8175.4-1730000109.1I412 T414V354-I412 HydrophobicContact CG1-CG2 3.73Å; V354-T414 HydrophobicContact CG2-CG2 4Å
355V89.8Confident78.1Confident53 Ų5399.2 Ų99.232%0.32153%0.529SS..EExtended strand (participates in β ladder)trans-115.7122.7176.4-177.20000107.8L353 T413 Y415L353-V355 HydrophobicContact CD1-CG2 4.32Å; L353-V355 HydrophobicContact CD2-CG2 4.35Å; L353-V355 HydrophobicContact CG-CG2 4.07Å; V355-T413 PolarHBondContact N-O 3.12Å; V355-T413 PolarHBondContact O-N 2.88Å; V355-Y415 HydrophobicContact CB-CE2 4.45Å; V355-Y415 HydrophobicContact CG2-CD2 4.39Å; V355-Y415 HydrophobicContact CG2-CE2 3.98Å
356Q92.4Very high80.5Confident82 Ų8297.7 Ų97.738%0.38350%0.502SS..EExtended strand (participates in β ladder)trans-105121.5169.8-178.3176-15.100108.1A410 V411 I412Q356-A410 HydrophobicContact CG-CB 4.41Å; Q356-V411 WeakPolarHBondContact CA-O 3.49Å; Q356-I412 HydrophobicContact CG-CG1 4.23Å
357T91.6Very high82.3Confident43 Ų4390.6 Ų90.626%0.26448%0.48SS..EExtended strand (participates in β ladder)trans-116.4141.2178.2-540000109.4S359 L364 V411T357-S359 PolarHBondContact O-N 2.88Å; T357-L364 HydrophobicContact CG2-CD1 3.65Å; T357-V411 PolarHBondContact N-O 2.83Å; T357-V411 PolarHBondContact O-N 3.36Å
358M90.5Very high84.4Confident76 Ų7687.8 Ų87.837%0.37446%0.457SS..EExtended strand (participates in β ladder)trans-87.596.5170.7-61.8-53.6-64.900108.9D407 R409 A410M358-D407 VanDerWaalsContact CE-OD2 3.28Å; M358-D407 WeakPolarHBondContact CE-OD2 3.45Å; M358-R409 CarbonylContact C-O 3.56Å; M358-R409 WeakPolarHBondContact CA-O 3.38Å; M358-R409 HydrophobicContact CE-CB 3.77Å; M358-A410 HydrophobicContact SD-CB 4.06Å
359S90.3Very high86.6Confident16 Ų1686.4 Ų86.411%0.11244%0.435CS..  trans-147.8141-177.957.20000112.9T357 I361 R403 R409 V411T357-S359 PolarHBondContact O-N 2.88Å; S359-I361 PolarHBondContact O-N 3.48Å; S359-I361 PolarHBondContact OG-O 3.11Å; S359-R403 PolarHBondContact O-NH1 3.38Å; S359-R409 PolarHBondContact N-O 2.84Å; S359-R409 VanDerWaalsContact O-O 3.14Å; S359-V411 WeakPolarHBondContact O-CG2 3.4Å
360D91.5Very high88.4Confident104 Ų10479.8 Ų79.856%0.55641%0.41SS*.SBendtrans-75.6-16175.1-52.5-49.8000111R403 R409D360-R403 PolarHBondContact O-NH2 3.16Å; D360-R409 WeakPolarHBondContact OD1-CG 3.39Å; D360-R409 IonicContact OD1-CZ 2.74Å; D360-R409 IonicContact OD1-NE 3.11Å; D360-R409 PolarHBondContact OD1-NE 2.85Å; D360-R409 IonicContact OD1-NH2 3.21Å; D360-R409 PolarHBondContact OD1-NH2 3.43Å; D360-R409 IonicContact OD2-CZ 3.1Å; D360-R409 IonicContact OD2-NE 3.07Å; D360-R409 IonicContact OD2-NH2 3.34Å; D360-R409 PolarHBondContact OD2-NH2 2.88Å
361I91.4Very high90.2Very high116 Ų11680.7 Ų80.760%0.59541%0.409SS*.  trans-98.2130.4174.4-54.8171.1000110.3S359 I363S359-I361 PolarHBondContact O-N 3.48Å; S359-I361 PolarHBondContact OG-O 3.11Å; I361-I363 WeakPolarHBondContact CG2-O 3.45Å
362D90.7Very high91.5Very high60 Ų6080.3 Ų80.332%0.32140%0.396SS..SBendtrans-75.6-37.6177.2-71.9-71.2000113.6V401 R403 V411D362-V401 HydrophobicContact CB-CG1 4.4Å; D362-V401 WeakPolarHBondContact O-CG1 3.2Å; D362-R403 IonicContact OD1-CZ 3.49Å; D362-R403 IonicContact OD1-NE 2.78Å; D362-R403 PolarHBondContact OD1-NE 2.96Å; D362-R403 VanDerWaalsContact OD1-NE 3.07Å; D362-R403 IonicContact OD1-NH2 3.7Å; D362-R403 PolarHBondContact OD1-NH2 2.83Å; D362-R403 IonicContact OD2-CZ 3.75Å; D362-R403 IonicContact OD2-NE 2.91Å; D362-R403 PolarHBondContact OD2-NE 3.32Å; D362-R403 IonicContact OD2-NH2 3.58Å; D362-R403 PolarHBondContact OD2-NH2 2.85Å; D362-V411 WeakPolarHBondContact O-CG1 3.32Å
363I91.2Very high92.4Very high108 Ų10879.1 Ų79.155%0.55439%0.393SS*.  trans-99.399-175-52.4179000108.8I361 Y388I361-I363 WeakPolarHBondContact CG2-O 3.45Å; I363-Y388 HydrophobicContact CD1-CE1 4.48Å; I363-Y388 VanDerWaalsContact CD1-OH 3.3Å; I363-Y388 WeakPolarHBondContact CD1-OH 3.11Å
364L89.2Confident92.9Very high58 Ų5875.7 Ų75.730%0.30438%0.381SS..  trans-86.6141.4173.6-58.9173.3000110.7T357T357-L364 HydrophobicContact CG2-CD1 3.65Å
365D90.3Very high93.3Very high149 Ų14978 Ų7880%0.79739%0.388SS*.  trans-77119.4168.8-170.55.9000109.6G367D365-G367 PolarHBondContact OD1-N 3.02Å
366D90.4Very high93.7Very high46 Ų4681.7 Ų81.725%0.24640%0.4CS..  trans-111.912.4176.359.812.6000111.6F368 W370 K399 Y415D366-F368 PolarHBondContact O-N 3.02Å; D366-F368 WeakPolarHBondContact OD1-CA 3.45Å; D366-F368 WeakPolarHBondContact OD1-CB 3.44Å; D366-F368 PolarHBondContact OD1-N 3.5Å; D366-W370 VanDerWaalsContact CG-NE1 3.28Å; D366-W370 PolarHBondContact OD1-NE1 2.89Å; D366-W370 WeakPolarHBondContact OD2-CZ2 3.37Å; D366-W370 PolarHBondContact OD2-NE1 3.19Å; D366-K399 IonicContact OD2-NZ 2.65Å; D366-K399 PolarHBondContact OD2-NZ 3.17Å; D366-Y415 WeakPolarHBondContact OD2-CE1 3.43Å; D366-Y415 PolarHBondContact OD2-OH 2.9Å
367G93Very high93.9Very high29 Ų2983.3 Ų83.330%0.29942%0.415SS..SBendtrans76.4-17.1-174.300000114D365 V423D365-G367 PolarHBondContact OD1-N 3.02Å; G367-V423 WeakPolarHBondContact O-CG1 3.29Å
368F95.2Very high93.9Very high45 Ų4582.9 Ų82.920%0.19741%0.412CS..SBendtrans-84.1143.5175.9-65.8-71.7000110.9D366 W370 H419 H421 V423D366-F368 PolarHBondContact O-N 3.02Å; D366-F368 WeakPolarHBondContact OD1-CA 3.45Å; D366-F368 WeakPolarHBondContact OD1-CB 3.44Å; D366-F368 PolarHBondContact OD1-N 3.5Å; F368-W370 HydrophobicContact CB-CZ2 3.7Å; F368-W370 HydrophobicContact CD2-CZ2 4.44Å; F368-W370 HydrophobicContact CG-CZ2 4.34Å; F368-W370 PolarHBondContact O-NE1 2.95Å; F368-W370 VanDerWaalsContact O-NE1 3.14Å; F368-H419 AromaticContact CD1-CE1 3.44Å; F368-H419 VanDerWaalsContact CD1-CE1 3.44Å; F368-H419 WeakPolarHBondContact CD1-CE1 3.48Å; F368-H419 AromaticContact CD1-CG 3.94Å; F368-H419 AromaticContact CD1-ND1 3.57Å; F368-H419 AromaticContact CD1-NE2 3.76Å; F368-H419 AromaticContact CD2-NE2 3.66Å; F368-H419 HydrophobicContact CE1-CB 4.05Å; F368-H419 AromaticContact CE1-CD2 3.64Å; F368-H419 AromaticContact CE1-CE1 3.81Å; F368-H419 AromaticContact CE1-CG 3.49Å; F368-H419 VanDerWaalsContact CE1-CG 3.49Å; F368-H419 AromaticContact CE1-ND1 3.6Å; F368-H419 AromaticContact CE1-NE2 3.87Å; F368-H419 AromaticContact CE2-CD2 3.75Å; F368-H419 AromaticContact CE2-NE2 3.79Å; F368-H419 AromaticContact CG-CE1 3.58Å; F368-H419 AromaticContact CG-NE2 3.63Å; F368-H419 HydrophobicContact CZ-CB 4.31Å; F368-H419 AromaticContact CZ-CD2 3.48Å; F368-H419 VanDerWaalsContact CZ-CD2 3.48Å; F368-H419 WeakPolarHBondContact CZ-CD2 3.49Å; F368-H419 AromaticContact CZ-CG 3.77Å; F368-H419 AromaticContact CZ-NE2 3.88Å; F368-H421 AromaticContact CD1-CE1 3.77Å; F368-H421 AromaticContact CE1-CE1 3.96Å; F368-V423 HydrophobicContact CE1-CB 4.46Å; F368-V423 HydrophobicContact CE1-CG2 3.94Å; F368-V423 HydrophobicContact CE2-CG2 4.3Å; F368-V423 HydrophobicContact CZ-CG2 3.75Å
369R95.6Very high94Very high121 Ų12189.4 Ų89.446%0.45744%0.438SS..  trans-87.7123.2177.1-67.1178.767-156.51.6109.7T391 P424R369-T391 HydrophobicContact CB-CG2 4.3Å; R369-T391 WeakPolarHBondContact CB-OG1 3.27Å; R369-T391 WeakPolarHBondContact O-CG2 3.31Å; R369-T391 PolarHBondContact O-N 2.78Å; R369-T391 PolarHBondContact O-OG1 3.4Å; R369-T391 VanDerWaalsContact O-OG1 3.13Å; R369-P424 HydrophobicContact CG-CB 4.44Å; R369-P424 HydrophobicContact CG-CG 4.47Å
370W97.2Very high94Very high47 Ų4792 Ų9218%0.17847%0.467CS..EExtended strand (participates in β ladder)trans-115.5147.6-176.1-58.795.9000112.5D366 F368 Y388 C390 T391 V397 K399 Y415 H419D366-W370 VanDerWaalsContact CG-NE1 3.28Å; D366-W370 PolarHBondContact OD1-NE1 2.89Å; D366-W370 WeakPolarHBondContact OD2-CZ2 3.37Å; D366-W370 PolarHBondContact OD2-NE1 3.19Å; F368-W370 HydrophobicContact CB-CZ2 3.7Å; F368-W370 HydrophobicContact CD2-CZ2 4.44Å; F368-W370 HydrophobicContact CG-CZ2 4.34Å; F368-W370 PolarHBondContact O-NE1 2.95Å; F368-W370 VanDerWaalsContact O-NE1 3.14Å; W370-Y388 HydrophobicContact CB-CD1 4.22Å; W370-C390 HydrophobicContact CZ3-CB 4.27Å; W370-T391 VanDerWaalsContact C-CG2 3.45Å; W370-V397 HydrophobicContact CH2-CG1 3.62Å; W370-V397 HydrophobicContact CZ3-CG1 3.98Å; W370-K399 HydrophobicContact CD2-CD 3.86Å; W370-K399 VanDerWaalsContact CD2-CE 3.5Å; W370-K399 HydrophobicContact CD2-CG 4.21Å; W370-K399 VanDerWaalsContact CE2-CE 3.42Å; W370-K399 HydrophobicContact CE3-CD 3.95Å; W370-K399 HydrophobicContact CE3-CG 3.82Å; W370-K399 HydrophobicContact CH2-CB 4.36Å; W370-K399 HydrophobicContact CH2-CD 3.79Å; W370-K399 HydrophobicContact CH2-CG 4.09Å; W370-K399 HydrophobicContact CZ2-CD 3.69Å; W370-K399 HydrophobicContact CZ2-CG 4.45Å; W370-K399 HydrophobicContact CZ3-CB 4.18Å; W370-K399 HydrophobicContact CZ3-CD 3.91Å; W370-K399 HydrophobicContact CZ3-CG 3.75Å; W370-K399 VanDerWaalsContact NE1-NZ 3.18Å; W370-Y415 AromaticContact CH2-CD1 3.99Å; W370-Y415 HydrophobicContact CH2-CD1 3.99Å; W370-Y415 HydrophobicContact CH2-CE1 4.12Å; W370-Y415 HydrophobicContact CZ2-CD1 4.19Å; W370-Y415 AromaticContact CZ2-CE1 3.85Å; W370-Y415 HydrophobicContact CZ2-CE1 3.85Å; W370-H419 AromaticContact CH2-CE1 3.9Å; W370-H419 AromaticContact CH2-NE2 3.78Å; W370-H419 AromaticContact CZ2-NE2 3.96Å
371R97.2Very high94Very high137 Ų13787.8 Ų87.852%0.51745%0.445SS..EExtended strand (participates in β ladder)trans-122124165.4-86.9165.4-166.4134.2-0.9109.4Y388 K389 T391R371-Y388 WeakPolarHBondContact O-CA 3.49Å; R371-K389 PolarHBondContact N-O 3.28Å; R371-K389 PolarHBondContact O-N 3.4Å; R371-T391 HydrophobicContact CB-CG2 3.95Å; R371-T391 HydrophobicContact CG-CG2 3.49Å; R371-T391 VanDerWaalsContact CG-CG2 3.49Å; R371-T391 PolarHBondContact NH1-O 3.32Å
372K98Very high94Very high99 Ų9987.7 Ų87.743%0.4345%0.452SS..EExtended strand (participates in β ladder)trans-62.7136.4170.1-167.2168.4176.1168.80108.8S386 Y387 Y388K372-S386 WeakPolarHBondContact CE-OG 3.4Å; K372-S386 PolarHBondContact NZ-OG 2.9Å; K372-Y387 CarbonylContact C-O 3.55Å; K372-Y387 WeakPolarHBondContact CA-O 3.42Å; K372-Y388 HydrophobicContact CB-CD1 3.86Å; K372-Y388 HydrophobicContact CB-CE1 3.73Å; K372-Y388 HydrophobicContact CD-CE1 4.21Å; K372-Y388 HydrophobicContact CG-CD1 4.38Å; K372-Y388 HydrophobicContact CG-CE1 4.05Å
373Y97.8Very high94Very high108 Ų10886.8 Ų86.842%0.42445%0.447SS..EExtended strand (participates in β ladder)trans-127.5-7.8177.570.6-98.2000113.4Y387 Y388 K389Y373-Y387 PolarHBondContact N-O 2.92Å; Y373-Y388 VanDerWaalsContact CE1-C 3.41Å; Y373-Y388 WeakPolarHBondContact CE1-O 3.48Å; Y373-K389 HydrophobicContact CD1-CB 3.96Å; Y373-K389 HydrophobicContact CD1-CG 4.07Å; Y373-K389 HydrophobicContact CE1-CB 4.22Å
374G97.7Very high94.2Very high29 Ų2984.1 Ų84.130%0.29944%0.437SS..EExtended strand (participates in β ladder)trans-170.3168.6177.300000112.5Y387G374-Y387 PolarHBondContact N-O 3.45Å; G374-Y387 PolarHBondContact O-N 2.98Å
375Q98.2Very high94.6Very high111 Ų11184.2 Ų84.252%0.51943%0.433SS..EExtended strand (participates in β ladder)trans-146.4138.9173.7-178.8171.1-59.500108P384 R385Q375-P384 HydrophobicContact CG-CB 3.69Å; Q375-P384 HydrophobicContact CG-CG 4.24Å; Q375-R385 CarbonylContact C-O 3.55Å; Q375-R385 WeakPolarHBondContact CA-O 3.33Å
376K97.6Very high94.9Very high132 Ų13277.8 Ų77.857%0.57440%0.4SS*.EExtended strand (participates in β ladder)trans-129.9124.8177.7-171.2171.8-177.9172.30109.7V378 R385 Y387K376-V378 PolarHBondContact O-N 2.74Å; K376-R385 PolarHBondContact N-O 3.47Å; K376-R385 PolarHBondContact O-N 2.83Å; K376-Y387 HydrophobicContact CB-CE2 3.85Å
377V96.3Very high95.3Very high116 Ų11678 Ų7870%0.70340%0.398SS*.PPolyproline II helixtrans-65.1129.9167.6-179.10000108.1
378V93.2Very high95.6Very high33 Ų3377.4 Ų77.420%0.239%0.387CS..PPolyproline II helixtrans-100.6122.1-177.3174.40000108.8K376 G380 N381 R385K376-V378 PolarHBondContact O-N 2.74Å; V378-G380 PolarHBondContact O-N 3.43Å; V378-N381 HydrophobicContact CB-CB 4Å; V378-N381 HydrophobicContact CG1-CB 4Å; V378-N381 PolarHBondContact O-N 2.88Å; V378-N381 VanDerWaalsContact O-O 3.08Å; V378-R385 HydrophobicContact CG2-CB 3.65Å
379K92.9Very high95.7Very high213 Ų21380 Ų8093%0.92640%0.398SS*.THydrogen-bonded Turntrans-56.8123.8178.3-175.775.1174.5-1780109.5
380G90.4Very high95.8Very high70 Ų7074.6 Ų74.672%0.72238%0.378SS*.THydrogen-bonded Turntrans83.46.2-177.900000115.4V378 S405V378-G380 PolarHBondContact O-N 3.43Å; G380-S405 WeakPolarHBondContact O-CB 3.46Å
381N89.8Confident95.8Very high17 Ų1773.5 Ų73.59%0.09138%0.377CS..  trans-125.3123.4172.8-170.2-12.2000109.5V378 N383 R403V378-N381 HydrophobicContact CB-CB 4Å; V378-N381 HydrophobicContact CG1-CB 4Å; V378-N381 PolarHBondContact O-N 2.88Å; V378-N381 VanDerWaalsContact O-O 3.08Å; N381-N383 PolarHBondContact O-N 3.49Å; N381-N383 PolarHBondContact OD1-N 2.8Å; N381-N383 PolarHBondContact OD1-ND2 2.84Å; N381-R403 PolarHBondContact ND2-O 2.89Å
382P91.8Very high95.7Very high113 Ų11369.1 Ų69.173%0.73437%0.365SS*.SBendtrans-64.2-21.7175.926.4-34.6000112.7
383N90.8Very high95.6Very high42 Ų4269 Ų6923%0.22538%0.383CS..SBendtrans-92.9133.9-179.4-54.5-73.1000111.4N381 R403N381-N383 PolarHBondContact O-N 3.49Å; N381-N383 PolarHBondContact OD1-N 2.8Å; N381-N383 PolarHBondContact OD1-ND2 2.84Å; N383-R403 HydrophobicContact CB-CB 3.86Å
384P95.6Very high95.5Very high51 Ų5167.2 Ų67.233%0.33140%0.397SS..PPolyproline II helixtrans-79.4141.617733-34.9000112Q375 S386Q375-P384 HydrophobicContact CG-CB 3.69Å; Q375-P384 HydrophobicContact CG-CG 4.24Å; P384-S386 PolarHBondContact O-N 2.93Å
385R96.9Very high95.5Very high61 Ų6166.8 Ų66.823%0.2339%0.389CS..EExtended strand (participates in β ladder)trans-77.5121.3172.6-178.3-176-66.1167.6-5.9110.1Q375 K376 V378 Y387 H400 V401 E402Q375-R385 CarbonylContact C-O 3.55Å; Q375-R385 WeakPolarHBondContact CA-O 3.33Å; K376-R385 PolarHBondContact N-O 3.47Å; K376-R385 PolarHBondContact O-N 2.83Å; V378-R385 HydrophobicContact CG2-CB 3.65Å; R385-Y387 HydrophobicContact CB-CE2 4.31Å; R385-Y387 WeakPolarHBondContact CD-OH 3.32Å; R385-Y387 HydrophobicContact CG-CD2 4.44Å; R385-Y387 HydrophobicContact CG-CE2 3.86Å; R385-H400 HydrophobicContact CG-CB 4.13Å; R385-V401 CarbonylContact C-O 3.56Å; R385-V401 WeakPolarHBondContact CA-O 3.47Å; R385-E402 HydrophobicContact CB-CB 4.13Å; R385-E402 HydrophobicContact CG-CB 4.13Å; R385-E402 IonicContact CZ-OE1 3.74Å; R385-E402 IonicContact CZ-OE2 3.11Å; R385-E402 IonicContact NE-OE1 3.73Å; R385-E402 IonicContact NE-OE2 2.76Å; R385-E402 PolarHBondContact NE-OE2 2.7Å; R385-E402 IonicContact NH2-OE1 2.64Å; R385-E402 PolarHBondContact NH2-OE1 2.95Å; R385-E402 IonicContact NH2-OE2 3.19Å; R385-E402 PolarHBondContact NH2-OE2 3.42Å
386S97.8Very high95.4Very high14 Ų1465.1 Ų65.110%0.09839%0.388CS..EExtended strand (participates in β ladder)trans-96.3141177.4-71.10000111.5K372 P384 Y388 H400 V401K372-S386 WeakPolarHBondContact CE-OG 3.4Å; K372-S386 PolarHBondContact NZ-OG 2.9Å; P384-S386 PolarHBondContact O-N 2.93Å; S386-Y388 VanDerWaalsContact CB-CE2 3.48Å; S386-H400 CarbonylContact O-C 3.55Å; S386-H400 VanDerWaalsContact O-CA 3.24Å; S386-H400 WeakPolarHBondContact O-CA 3.12Å; S386-V401 PolarHBondContact N-O 3Å; S386-V401 PolarHBondContact O-N 2.91Å
387Y98.3Very high95.4Very high51 Ų5159 Ų5920%0.236%0.362CS..EExtended strand (participates in β ladder)trans-117.8131.2-176.2-69.7-99.7000111.5K372 Y373 G374 K376 R385 H400K372-Y387 CarbonylContact C-O 3.55Å; K372-Y387 WeakPolarHBondContact CA-O 3.42Å; Y373-Y387 PolarHBondContact N-O 2.92Å; G374-Y387 PolarHBondContact N-O 3.45Å; G374-Y387 PolarHBondContact O-N 2.98Å; K376-Y387 HydrophobicContact CB-CE2 3.85Å; R385-Y387 HydrophobicContact CB-CE2 4.31Å; R385-Y387 WeakPolarHBondContact CD-OH 3.32Å; R385-Y387 HydrophobicContact CG-CD2 4.44Å; R385-Y387 HydrophobicContact CG-CE2 3.86Å; Y387-H400 HydrophobicContact CD1-CB 3.71Å; Y387-H400 HydrophobicContact CE1-CB 3.87Å; Y387-H400 HydrophobicContact CG-CB 4.2Å
388Y98.4Very high95.4Very high16 Ų1660 Ų606%0.06335%0.353CS..EExtended strand (participates in β ladder)trans-131143-172.1-57.9-93.2000111.6I363 W370 R371 K372 Y373 S386 R398 K399 V401I363-Y388 HydrophobicContact CD1-CE1 4.48Å; I363-Y388 VanDerWaalsContact CD1-OH 3.3Å; I363-Y388 WeakPolarHBondContact CD1-OH 3.11Å; W370-Y388 HydrophobicContact CB-CD1 4.22Å; R371-Y388 WeakPolarHBondContact O-CA 3.49Å; K372-Y388 HydrophobicContact CB-CD1 3.86Å; K372-Y388 HydrophobicContact CB-CE1 3.73Å; K372-Y388 HydrophobicContact CD-CE1 4.21Å; K372-Y388 HydrophobicContact CG-CD1 4.38Å; K372-Y388 HydrophobicContact CG-CE1 4.05Å; Y373-Y388 VanDerWaalsContact CE1-C 3.41Å; Y373-Y388 WeakPolarHBondContact CE1-O 3.48Å; S386-Y388 VanDerWaalsContact CB-CE2 3.48Å; Y388-R398 CarbonylContact O-C 3.57Å; Y388-R398 WeakPolarHBondContact O-CA 3.28Å; Y388-K399 HydrophobicContact CD2-CG 4.32Å; Y388-K399 HydrophobicContact CG-CG 4.46Å; Y388-K399 PolarHBondContact N-O 2.75Å; Y388-K399 PolarHBondContact O-N 2.97Å; Y388-K399 VanDerWaalsContact O-O 3.12Å; Y388-V401 HydrophobicContact CD2-CG2 3.94Å; Y388-V401 HydrophobicContact CE2-CB 4.02Å; Y388-V401 HydrophobicContact CE2-CG2 3.64Å
389K97.7Very high95.6Very high99 Ų9958.8 Ų58.843%0.4335%0.345SS..EExtended strand (participates in β ladder)trans-115.5149.4169.661.5172.4-177.5-79.20109.8R371 Y373R371-K389 PolarHBondContact N-O 3.28Å; R371-K389 PolarHBondContact O-N 3.4Å; Y373-K389 HydrophobicContact CD1-CB 3.96Å; Y373-K389 HydrophobicContact CD1-CG 4.07Å; Y373-K389 HydrophobicContact CE1-CB 4.22Å
390C97.3Very high95.7Very high8 Ų849.3 Ų49.35%0.05430%0.304CS..EExtended strand (participates in β ladder)trans-61.3147171.5-1690000110.3W370 C395 V397 H421W370-C390 HydrophobicContact CZ3-CB 4.27Å; C390-C395 HydrophobicContact CB-CB 4.03Å; C390-C395 VanDerWaalsContact CB-SG 3.59Å; C390-V397 HydrophobicContact CB-CB 4.24Å; C390-V397 PolarHBondContact N-O 2.65Å; C390-H421 PolarHBondContact SG-NE2 3.42Å
391T97.2Very high96Very high24 Ų2446.3 Ų46.315%0.14727%0.272CS..  trans-89.3-14.8-178620000115.2R369 W370 R371R369-T391 HydrophobicContact CB-CG2 4.3Å; R369-T391 WeakPolarHBondContact CB-OG1 3.27Å; R369-T391 WeakPolarHBondContact O-CG2 3.31Å; R369-T391 PolarHBondContact O-N 2.78Å; R369-T391 PolarHBondContact O-OG1 3.4Å; R369-T391 VanDerWaalsContact O-OG1 3.13Å; W370-T391 VanDerWaalsContact C-CG2 3.45Å; R371-T391 HydrophobicContact CB-CG2 3.95Å; R371-T391 HydrophobicContact CG-CG2 3.49Å; R371-T391 VanDerWaalsContact CG-CG2 3.49Å; R371-T391 PolarHBondContact NH1-O 3.32Å
392T96.2Very high96.3Very high44 Ų4446.9 Ų46.927%0.2727%0.274SS..SBendtrans-68.5136-179.2-490000109.7G394 C395 H421T392-G394 PolarHBondContact O-N 3.49Å; T392-C395 WeakPolarHBondContact O-CB 3.37Å; T392-C395 PolarHBondContact O-N 2.86Å; T392-C395 VanDerWaalsContact O-N 3.17Å; T392-H421 VanDerWaalsContact CB-CD2 3.45Å; T392-H421 WeakPolarHBondContact CB-CD2 3.46Å; T392-H421 WeakPolarHBondContact CB-NE2 3.27Å; T392-H421 HydrophobicContact CG2-CB 4.04Å; T392-H421 PolarHBondContact OG1-CE1 2.9Å; T392-H421 PolarHBondContact OG1-ND1 2.86Å; T392-H421 PolarHBondContact OG1-NE2 2.82Å; T392-H421 VanDerWaalsContact OG1-NE2 3.12Å
393A96Very high96.5Very high98 Ų9842.4 Ų42.481%0.8124%0.242SC*.THydrogen-bonded Turntrans-57.2134.8179.700000110.7C395A393-C395 PolarHBondContact O-N 2.69Å
394G95.7Very high96.5Very high70 Ų7040.7 Ų40.772%0.72223%0.234SC*.THydrogen-bonded Turntrans69.15.5-179.400000116.1T392 N420T392-G394 PolarHBondContact O-N 3.49Å; G394-N420 PolarHBondContact O-ND2 2.8Å
395C97.1Very high96.2Very high19 Ų1941.5 Ų41.513%0.12824%0.241CC..  trans-79.8123.1179.3-174.50000111.7C390 T392 A393 V397 N420 H421C390-C395 HydrophobicContact CB-CB 4.03Å; C390-C395 VanDerWaalsContact CB-SG 3.59Å; T392-C395 WeakPolarHBondContact O-CB 3.37Å; T392-C395 PolarHBondContact O-N 2.86Å; T392-C395 VanDerWaalsContact O-N 3.17Å; A393-C395 PolarHBondContact O-N 2.69Å; C395-V397 VanDerWaalsContact C-N 3.28Å; C395-V397 PolarHBondContact O-N 2.75Å; C395-N420 VanDerWaalsContact CA-OD1 3.3Å; C395-N420 WeakPolarHBondContact CA-OD1 3.38Å; C395-N420 WeakPolarHBondContact CB-OD1 3.21Å; C395-H421 VanDerWaalsContact SG-CD2 3.59Å; C395-H421 PolarHBondContact SG-NE2 2.97Å
396P96.3Very high95.8Very high76 Ų7644.5 Ų44.549%0.49426%0.257SS..  trans-77.6-11.3-176.732-36.1000113.6R398 K418P396-R398 PolarHBondContact O-N 3.36Å; P396-K418 WeakPolarHBondContact CG-O 3.45Å
397V96.9Very high95.3Very high4 Ų446.2 Ų46.22%0.02427%0.265CS..  trans-68.1133.3-167.1-175.10000113W370 C390 C395 E416 K418 H419W370-V397 HydrophobicContact CH2-CG1 3.62Å; W370-V397 HydrophobicContact CZ3-CG1 3.98Å; C390-V397 HydrophobicContact CB-CB 4.24Å; C390-V397 PolarHBondContact N-O 2.65Å; C395-V397 VanDerWaalsContact C-N 3.28Å; C395-V397 PolarHBondContact O-N 2.75Å; V397-E416 WeakPolarHBondContact CA-O 3.39Å; V397-E416 WeakPolarHBondContact CG1-O 3.38Å; V397-K418 VanDerWaalsContact CG2-O 3.24Å; V397-K418 WeakPolarHBondContact CG2-O 3.47Å; V397-H419 HydrophobicContact CG2-CB 4.31Å
398R97.1Very high94.9Very high136 Ų13652.1 Ų52.151%0.51329%0.292SS..EExtended strand (participates in β ladder)trans-124.3151.6173.3-60.2173.5-172.2178.10.1108.9Y388 P396 Y415 E416Y388-R398 CarbonylContact O-C 3.57Å; Y388-R398 WeakPolarHBondContact O-CA 3.28Å; P396-R398 PolarHBondContact O-N 3.36Å; R398-Y415 CarbonylContact O-C 3.54Å; R398-Y415 WeakPolarHBondContact O-CA 3.02Å; R398-E416 HydrophobicContact CB-CB 4.46Å; R398-E416 PolarHBondContact N-O 3.43Å; R398-E416 VanDerWaalsContact N-O 3.08Å; R398-E416 PolarHBondContact O-N 2.82Å
399K96.5Very high94.5Very high9 Ų957.3 Ų57.34%0.03931%0.311CS..EExtended strand (participates in β ladder)trans-138.2151.4165.573.2-176.8-172.2179.20111.6D366 W370 Y388 T413 T414 Y415D366-K399 IonicContact OD2-NZ 2.65Å; D366-K399 PolarHBondContact OD2-NZ 3.17Å; W370-K399 HydrophobicContact CD2-CD 3.86Å; W370-K399 VanDerWaalsContact CD2-CE 3.5Å; W370-K399 HydrophobicContact CD2-CG 4.21Å; W370-K399 VanDerWaalsContact CE2-CE 3.42Å; W370-K399 HydrophobicContact CE3-CD 3.95Å; W370-K399 HydrophobicContact CE3-CG 3.82Å; W370-K399 HydrophobicContact CH2-CB 4.36Å; W370-K399 HydrophobicContact CH2-CD 3.79Å; W370-K399 HydrophobicContact CH2-CG 4.09Å; W370-K399 HydrophobicContact CZ2-CD 3.69Å; W370-K399 HydrophobicContact CZ2-CG 4.45Å; W370-K399 HydrophobicContact CZ3-CB 4.18Å; W370-K399 HydrophobicContact CZ3-CD 3.91Å; W370-K399 HydrophobicContact CZ3-CG 3.75Å; W370-K399 VanDerWaalsContact NE1-NZ 3.18Å; Y388-K399 HydrophobicContact CD2-CG 4.32Å; Y388-K399 HydrophobicContact CG-CG 4.46Å; Y388-K399 PolarHBondContact N-O 2.75Å; Y388-K399 PolarHBondContact O-N 2.97Å; Y388-K399 VanDerWaalsContact O-O 3.12Å; K399-T413 HydrophobicContact CB-CG2 4.3Å; K399-T413 HydrophobicContact CD-CG2 3.79Å; K399-T413 HydrophobicContact CG-CG2 4.35Å; K399-T414 CarbonylContact C-O 3.53Å; K399-T414 WeakPolarHBondContact CA-O 3.44Å; K399-T414 VanDerWaalsContact CB-O 3.32Å; K399-T414 WeakPolarHBondContact CB-O 3.46Å; K399-Y415 HydrophobicContact CB-CD1 3.81Å; K399-Y415 HydrophobicContact CB-CE1 4.19Å; K399-Y415 HydrophobicContact CB-CG 4.2Å; K399-Y415 HydrophobicContact CD-CD1 3.8Å; K399-Y415 HydrophobicContact CD-CE1 3.31Å; K399-Y415 HydrophobicContact CG-CD1 4.44Å; K399-Y415 HydrophobicContact CG-CE1 4.38Å
400H96.5Very high94.2Very high13 Ų1352.6 Ų52.66%0.0629%0.291CS..EExtended strand (participates in β ladder)trans-122144.9165.363.989.5000110.2R352 R385 S386 Y387 T413 T414R352-H400 PolarHBondContact NH2-NE2 3.45Å; R385-H400 HydrophobicContact CG-CB 4.13Å; S386-H400 CarbonylContact O-C 3.55Å; S386-H400 VanDerWaalsContact O-CA 3.24Å; S386-H400 WeakPolarHBondContact O-CA 3.12Å; Y387-H400 HydrophobicContact CD1-CB 3.71Å; Y387-H400 HydrophobicContact CE1-CB 3.87Å; Y387-H400 HydrophobicContact CG-CB 4.2Å; H400-T413 CarbonylContact O-C 3.54Å; H400-T413 WeakPolarHBondContact O-CA 3.27Å; H400-T414 WeakPolarHBondContact CE1-CB 3.45Å; H400-T414 PolarHBondContact CE1-OG1 3.21Å; H400-T414 PolarHBondContact N-O 3.14Å; H400-T414 VanDerWaalsContact NE2-CB 3.26Å; H400-T414 WeakPolarHBondContact NE2-CB 3.15Å; H400-T414 WeakPolarHBondContact NE2-CG2 3.05Å; H400-T414 PolarHBondContact O-N 3.15Å
401V97Very high94Very high7 Ų752.2 Ų52.24%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-123.4128.3-175.1-179.50000107.7D362 R385 S386 Y388 V411 I412 T413D362-V401 HydrophobicContact CB-CG1 4.4Å; D362-V401 WeakPolarHBondContact O-CG1 3.2Å; R385-V401 CarbonylContact C-O 3.56Å; R385-V401 WeakPolarHBondContact CA-O 3.47Å; S386-V401 PolarHBondContact N-O 3Å; S386-V401 PolarHBondContact O-N 2.91Å; Y388-V401 HydrophobicContact CD2-CG2 3.94Å; Y388-V401 HydrophobicContact CE2-CB 4.02Å; Y388-V401 HydrophobicContact CE2-CG2 3.64Å; V401-V411 HydrophobicContact CG1-CG1 3.75Å; V401-I412 WeakPolarHBondContact CA-O 3.25Å; V401-T413 HydrophobicContact CG2-CG2 3.96Å
402E95.4Very high93.9Very high29 Ų2952.6 Ų52.614%0.13629%0.289CS..EExtended strand (participates in β ladder)trans-139.9136.6171.964.2-172.6163.500111.3R385 I412R385-E402 HydrophobicContact CB-CB 4.13Å; R385-E402 HydrophobicContact CG-CB 4.13Å; R385-E402 IonicContact CZ-OE1 3.74Å; R385-E402 IonicContact CZ-OE2 3.11Å; R385-E402 IonicContact NE-OE1 3.73Å; R385-E402 IonicContact NE-OE2 2.76Å; R385-E402 PolarHBondContact NE-OE2 2.7Å; R385-E402 IonicContact NH2-OE1 2.64Å; R385-E402 PolarHBondContact NH2-OE1 2.95Å; R385-E402 IonicContact NH2-OE2 3.19Å; R385-E402 PolarHBondContact NH2-OE2 3.42Å; E402-I412 HydrophobicContact CG-CB 3.97Å; E402-I412 HydrophobicContact CG-CD1 4.48Å; E402-I412 HydrophobicContact CG-CG2 4.49Å; E402-I412 PolarHBondContact N-O 2.98Å; E402-I412 WeakPolarHBondContact O-CA 3.22Å; E402-I412 WeakPolarHBondContact O-CB 3.16Å; E402-I412 PolarHBondContact O-N 3.49Å
403R95.2Very high93.9Very high20 Ų2050.7 Ų50.78%0.07528%0.278CS..EExtended strand (participates in β ladder)trans-78.1137.1166-167.4173.4-67.9-85.39.2108.9S359 D360 D362 N381 N383 K408 A410S359-R403 PolarHBondContact O-NH1 3.38Å; D360-R403 PolarHBondContact O-NH2 3.16Å; D362-R403 IonicContact OD1-CZ 3.49Å; D362-R403 IonicContact OD1-NE 2.78Å; D362-R403 PolarHBondContact OD1-NE 2.96Å; D362-R403 VanDerWaalsContact OD1-NE 3.07Å; D362-R403 IonicContact OD1-NH2 3.7Å; D362-R403 PolarHBondContact OD1-NH2 2.83Å; D362-R403 IonicContact OD2-CZ 3.75Å; D362-R403 IonicContact OD2-NE 2.91Å; D362-R403 PolarHBondContact OD2-NE 3.32Å; D362-R403 IonicContact OD2-NH2 3.58Å; D362-R403 PolarHBondContact OD2-NH2 2.85Å; N381-R403 PolarHBondContact ND2-O 2.89Å; N383-R403 HydrophobicContact CB-CB 3.86Å; R403-K408 WeakPolarHBondContact CD-O 3.21Å; R403-K408 PolarHBondContact NH1-O 2.87Å; R403-A410 CarbonylContact C-O 3.44Å; R403-A410 WeakPolarHBondContact CA-O 3.47Å
404A90.9Very high93.8Very high5 Ų546.4 Ų46.44%0.04124%0.241CC..  trans-64.2148.1-17900000111.5A410 I412A404-A410 HydrophobicContact CB-CB 3.87Å; A404-A410 PolarHBondContact N-O 3.09Å; A404-I412 HydrophobicContact CB-CD1 4.26Å
405S90.7Very high93.9Very high69 Ų6945 Ų4548%0.48322%0.215SC..SBendtrans-71.3-30.8176.553.40000113.2G380G380-S405 WeakPolarHBondContact O-CB 3.46Å
406H88.9Confident93.7Very high124 Ų12446.1 Ų46.157%0.57422%0.218SC*.SBendtrans-91.2-11.9-177.263.2-91.8000113.9
407D87Confident93.5Very high50 Ų5043.8 Ų43.827%0.26721%0.207SC..  trans-146.7111.4-178.1-176.5-15.9000109.6M358 R409 A410M358-D407 VanDerWaalsContact CE-OD2 3.28Å; M358-D407 WeakPolarHBondContact CE-OD2 3.45Å; D407-R409 PolarHBondContact O-N 2.87Å; D407-R409 VanDerWaalsContact O-N 3.13Å; D407-R409 WeakPolarHBondContact OD1-CA 3.46Å; D407-R409 WeakPolarHBondContact OD1-CB 3.3Å; D407-R409 PolarHBondContact OD1-N 3.31Å; D407-A410 HydrophobicContact CB-CB 3.86Å; D407-A410 PolarHBondContact O-N 3.48Å; D407-A410 PolarHBondContact OD1-N 2.86Å
408K88.4Confident93.3Very high174 Ų17451.6 Ų51.676%0.75724%0.241SC*.THydrogen-bonded Turntrans-66.3-9-179.9-65.1-177.3-176.9176.70113.2R403R403-K408 WeakPolarHBondContact CD-O 3.21Å; R403-K408 PolarHBondContact NH1-O 2.87Å
409R89.9Confident93.2Very high125 Ų12547.6 Ų47.647%0.47223%0.228SC..THydrogen-bonded Turntrans-107.2-13.8178.8-51.6-171.375.2-155.63.4112.7M358 S359 D360 D407 V411M358-R409 CarbonylContact C-O 3.56Å; M358-R409 WeakPolarHBondContact CA-O 3.38Å; M358-R409 HydrophobicContact CE-CB 3.77Å; S359-R409 PolarHBondContact N-O 2.84Å; S359-R409 VanDerWaalsContact O-O 3.14Å; D360-R409 WeakPolarHBondContact OD1-CG 3.39Å; D360-R409 IonicContact OD1-CZ 2.74Å; D360-R409 IonicContact OD1-NE 3.11Å; D360-R409 PolarHBondContact OD1-NE 2.85Å; D360-R409 IonicContact OD1-NH2 3.21Å; D360-R409 PolarHBondContact OD1-NH2 3.43Å; D360-R409 IonicContact OD2-CZ 3.1Å; D360-R409 IonicContact OD2-NE 3.07Å; D360-R409 IonicContact OD2-NH2 3.34Å; D360-R409 PolarHBondContact OD2-NH2 2.88Å; D407-R409 PolarHBondContact O-N 2.87Å; D407-R409 VanDerWaalsContact O-N 3.13Å; D407-R409 WeakPolarHBondContact OD1-CA 3.46Å; D407-R409 WeakPolarHBondContact OD1-CB 3.3Å; D407-R409 PolarHBondContact OD1-N 3.31Å; R409-V411 PolarHBondContact O-N 3.17Å
410A91.8Very high93.1Very high0 Ų052 Ų520%025%0.252CS..EExtended strand (participates in β ladder)trans-81.8105.4178.600000111.4Q356 M358 R403 A404 D407Q356-A410 HydrophobicContact CG-CB 4.41Å; M358-A410 HydrophobicContact SD-CB 4.06Å; R403-A410 CarbonylContact C-O 3.44Å; R403-A410 WeakPolarHBondContact CA-O 3.47Å; A404-A410 HydrophobicContact CB-CB 3.87Å; A404-A410 PolarHBondContact N-O 3.09Å; D407-A410 HydrophobicContact CB-CB 3.86Å; D407-A410 PolarHBondContact O-N 3.48Å; D407-A410 PolarHBondContact OD1-N 2.86Å
411V94.3Very high93Very high0 Ų053.4 Ų53.40%026%0.259CS..EExtended strand (participates in β ladder)trans-99115.9175179.70000109.5Q356 T357 S359 D362 V401 R409Q356-V411 WeakPolarHBondContact CA-O 3.49Å; T357-V411 PolarHBondContact N-O 2.83Å; T357-V411 PolarHBondContact O-N 3.36Å; S359-V411 WeakPolarHBondContact O-CG2 3.4Å; D362-V411 WeakPolarHBondContact O-CG1 3.32Å; V401-V411 HydrophobicContact CG1-CG1 3.75Å; R409-V411 PolarHBondContact O-N 3.17Å
412I94Very high92.8Very high33 Ų3359.8 Ų59.817%0.16929%0.292CS..EExtended strand (participates in β ladder)trans-99.6112-179.4-56.1167.9000108.2V354 Q356 V401 E402 A404V354-I412 HydrophobicContact CG1-CG2 3.73Å; Q356-I412 HydrophobicContact CG-CG1 4.23Å; V401-I412 WeakPolarHBondContact CA-O 3.25Å; E402-I412 HydrophobicContact CG-CB 3.97Å; E402-I412 HydrophobicContact CG-CD1 4.48Å; E402-I412 HydrophobicContact CG-CG2 4.49Å; E402-I412 PolarHBondContact N-O 2.98Å; E402-I412 WeakPolarHBondContact O-CA 3.22Å; E402-I412 WeakPolarHBondContact O-CB 3.16Å; E402-I412 PolarHBondContact O-N 3.49Å; A404-I412 HydrophobicContact CB-CD1 4.26Å
413T95.9Very high92.6Very high4 Ų461.3 Ų61.33%0.02530%0.304CS..EExtended strand (participates in β ladder)trans-107.9120172.6-56.10000110.2V355 K399 H400 V401 Y415V355-T413 PolarHBondContact N-O 3.12Å; V355-T413 PolarHBondContact O-N 2.88Å; K399-T413 HydrophobicContact CB-CG2 4.3Å; K399-T413 HydrophobicContact CD-CG2 3.79Å; K399-T413 HydrophobicContact CG-CG2 4.35Å; H400-T413 CarbonylContact O-C 3.54Å; H400-T413 WeakPolarHBondContact O-CA 3.27Å; V401-T413 HydrophobicContact CG2-CG2 3.96Å; T413-Y415 HydrophobicContact CG2-CD2 4.07Å; T413-Y415 HydrophobicContact CG2-CE1 4.22Å; T413-Y415 HydrophobicContact CG2-CE2 3.41Å; T413-Y415 VanDerWaalsContact CG2-CE2 3.41Å; T413-Y415 VanDerWaalsContact CG2-CZ 3.48Å
414T95.3Very high92.2Very high8 Ų862 Ų625%0.04931%0.311CS..EExtended strand (participates in β ladder)trans-107.9122.6174.7-58.20000110.2R352 L353 V354 K399 H400R352-T414 HydrophobicContact CB-CG2 4.19Å; L353-T414 CarbonylContact O-C 3.57Å; L353-T414 WeakPolarHBondContact O-CA 3.26Å; V354-T414 HydrophobicContact CG2-CG2 4Å; K399-T414 CarbonylContact C-O 3.53Å; K399-T414 WeakPolarHBondContact CA-O 3.44Å; K399-T414 VanDerWaalsContact CB-O 3.32Å; K399-T414 WeakPolarHBondContact CB-O 3.46Å; H400-T414 WeakPolarHBondContact CE1-CB 3.45Å; H400-T414 PolarHBondContact CE1-OG1 3.21Å; H400-T414 PolarHBondContact N-O 3.14Å; H400-T414 VanDerWaalsContact NE2-CB 3.26Å; H400-T414 WeakPolarHBondContact NE2-CB 3.15Å; H400-T414 WeakPolarHBondContact NE2-CG2 3.05Å; H400-T414 PolarHBondContact O-N 3.15Å
415Y96.3Very high91.5Very high41 Ų4167.7 Ų67.716%0.16135%0.345CS..EExtended strand (participates in β ladder)trans-99.9145.5175.4-55.9-100.8000111R352 L353 V355 D366 W370 R398 K399 T413R352-Y415 VanDerWaalsContact CA-O 3.29Å; R352-Y415 WeakPolarHBondContact CA-O 3.35Å; L353-Y415 HydrophobicContact CD2-CD2 4.29Å; L353-Y415 HydrophobicContact CG-CD2 4.3Å; L353-Y415 PolarHBondContact N-O 2.91Å; L353-Y415 PolarHBondContact O-N 2.82Å; V355-Y415 HydrophobicContact CB-CE2 4.45Å; V355-Y415 HydrophobicContact CG2-CD2 4.39Å; V355-Y415 HydrophobicContact CG2-CE2 3.98Å; D366-Y415 WeakPolarHBondContact OD2-CE1 3.43Å; D366-Y415 PolarHBondContact OD2-OH 2.9Å; W370-Y415 AromaticContact CH2-CD1 3.99Å; W370-Y415 HydrophobicContact CH2-CD1 3.99Å; W370-Y415 HydrophobicContact CH2-CE1 4.12Å; W370-Y415 HydrophobicContact CZ2-CD1 4.19Å; W370-Y415 AromaticContact CZ2-CE1 3.85Å; W370-Y415 HydrophobicContact CZ2-CE1 3.85Å; R398-Y415 CarbonylContact O-C 3.54Å; R398-Y415 WeakPolarHBondContact O-CA 3.02Å; K399-Y415 HydrophobicContact CB-CD1 3.81Å; K399-Y415 HydrophobicContact CB-CE1 4.19Å; K399-Y415 HydrophobicContact CB-CG 4.2Å; K399-Y415 HydrophobicContact CD-CD1 3.8Å; K399-Y415 HydrophobicContact CD-CE1 3.31Å; K399-Y415 HydrophobicContact CG-CD1 4.44Å; K399-Y415 HydrophobicContact CG-CE1 4.38Å; T413-Y415 HydrophobicContact CG2-CD2 4.07Å; T413-Y415 HydrophobicContact CG2-CE1 4.22Å; T413-Y415 HydrophobicContact CG2-CE2 3.41Å; T413-Y415 VanDerWaalsContact CG2-CE2 3.41Å; T413-Y415 VanDerWaalsContact CG2-CZ 3.48Å
416E93.4Very high90Very high42 Ų4266.7 Ų66.720%0.19635%0.345CS..EExtended strand (participates in β ladder)trans-130.8140.6178.4-43.8-171.9134.900109.4R352 V397 R398R352-E416 HydrophobicContact CG-CG 4.24Å; R352-E416 IonicContact CZ-OE1 2.68Å; R352-E416 IonicContact NE-OE1 3.03Å; R352-E416 PolarHBondContact NE-OE1 3.01Å; R352-E416 IonicContact NH2-OE1 2.65Å; R352-E416 PolarHBondContact NH2-OE1 3.42Å; V397-E416 WeakPolarHBondContact CA-O 3.39Å; V397-E416 WeakPolarHBondContact CG1-O 3.38Å; R398-E416 HydrophobicContact CB-CB 4.46Å; R398-E416 PolarHBondContact N-O 3.43Å; R398-E416 VanDerWaalsContact N-O 3.08Å; R398-E416 PolarHBondContact O-N 2.82Å
417G92Very high88.4Confident26 Ų2669.8 Ų69.827%0.26835%0.352SS..SBendtrans78.8-171-175.500000114.5E350E350-G417 WeakPolarHBondContact OE1-CA 3.46Å; E350-G417 PolarHBondContact OE1-N 2.78Å
418K93.2Very high86.6Confident168 Ų16869.7 Ų69.773%0.7336%0.362SS*.  trans-131.8141.3177.2-61.8178-174.8171.90110.3P396 V397P396-K418 WeakPolarHBondContact CG-O 3.45Å; V397-K418 VanDerWaalsContact CG2-O 3.24Å; V397-K418 WeakPolarHBondContact CG2-O 3.47Å
419H95.4Very high84.9Confident53 Ų5364.4 Ų64.425%0.24535%0.351CS..  trans-67.7134174.3-71.2-83.6000109.5F368 W370 V397 H421F368-H419 AromaticContact CD1-CE1 3.44Å; F368-H419 VanDerWaalsContact CD1-CE1 3.44Å; F368-H419 WeakPolarHBondContact CD1-CE1 3.48Å; F368-H419 AromaticContact CD1-CG 3.94Å; F368-H419 AromaticContact CD1-ND1 3.57Å; F368-H419 AromaticContact CD1-NE2 3.76Å; F368-H419 AromaticContact CD2-NE2 3.66Å; F368-H419 HydrophobicContact CE1-CB 4.05Å; F368-H419 AromaticContact CE1-CD2 3.64Å; F368-H419 AromaticContact CE1-CE1 3.81Å; F368-H419 AromaticContact CE1-CG 3.49Å; F368-H419 VanDerWaalsContact CE1-CG 3.49Å; F368-H419 AromaticContact CE1-ND1 3.6Å; F368-H419 AromaticContact CE1-NE2 3.87Å; F368-H419 AromaticContact CE2-CD2 3.75Å; F368-H419 AromaticContact CE2-NE2 3.79Å; F368-H419 AromaticContact CG-CE1 3.58Å; F368-H419 AromaticContact CG-NE2 3.63Å; F368-H419 HydrophobicContact CZ-CB 4.31Å; F368-H419 AromaticContact CZ-CD2 3.48Å; F368-H419 VanDerWaalsContact CZ-CD2 3.48Å; F368-H419 WeakPolarHBondContact CZ-CD2 3.49Å; F368-H419 AromaticContact CZ-CG 3.77Å; F368-H419 AromaticContact CZ-NE2 3.88Å; W370-H419 AromaticContact CH2-CE1 3.9Å; W370-H419 AromaticContact CH2-NE2 3.78Å; W370-H419 AromaticContact CZ2-NE2 3.96Å; V397-H419 HydrophobicContact CG2-CB 4.31Å; H419-H421 AromaticContact CG-NE2 3.98Å; H419-H421 AromaticContact ND1-CE1 3.45Å; H419-H421 PolarHBondContact ND1-CE1 3.17Å; H419-H421 AromaticContact ND1-NE2 3.09Å; H419-H421 PolarHBondContact ND1-NE2 2.85Å
420N93.2Very high83.2Confident102 Ų10261 Ų6155%0.54535%0.35SS..SBendtrans-103.221.5174.960.4-13.5000112.1G394 C395G394-N420 PolarHBondContact O-ND2 2.8Å; C395-N420 VanDerWaalsContact CA-OD1 3.3Å; C395-N420 WeakPolarHBondContact CA-OD1 3.38Å; C395-N420 WeakPolarHBondContact CB-OD1 3.21Å
421H94.7Very high81.7Confident42 Ų4264.3 Ų64.319%0.19437%0.373CS..SBendtrans-150157-179.563.484.7000108.4F368 C390 T392 C395 H419F368-H421 AromaticContact CD1-CE1 3.77Å; F368-H421 AromaticContact CE1-CE1 3.96Å; C390-H421 PolarHBondContact SG-NE2 3.42Å; T392-H421 VanDerWaalsContact CB-CD2 3.45Å; T392-H421 WeakPolarHBondContact CB-CD2 3.46Å; T392-H421 WeakPolarHBondContact CB-NE2 3.27Å; T392-H421 HydrophobicContact CG2-CB 4.04Å; T392-H421 PolarHBondContact OG1-CE1 2.9Å; T392-H421 PolarHBondContact OG1-ND1 2.86Å; T392-H421 PolarHBondContact OG1-NE2 2.82Å; T392-H421 VanDerWaalsContact OG1-NE2 3.12Å; C395-H421 VanDerWaalsContact SG-CD2 3.59Å; C395-H421 PolarHBondContact SG-NE2 2.97Å; H419-H421 AromaticContact CG-NE2 3.98Å; H419-H421 AromaticContact ND1-CE1 3.45Å; H419-H421 PolarHBondContact ND1-CE1 3.17Å; H419-H421 AromaticContact ND1-NE2 3.09Å; H419-H421 PolarHBondContact ND1-NE2 2.85Å
422D93.3Very high80Confident140 Ų14073.7 Ų73.775%0.74941%0.408SS*.  trans-71.4165.6173.9-159.55000111.7P424D422-P424 VanDerWaalsContact O-CD 3.27Å; D422-P424 WeakPolarHBondContact O-CD 2.93Å
423V91.6Very high78.4Confident62 Ų6275.1 Ų75.138%0.37643%0.425SS..  trans-58.1116.8175.1-175.20000108.6G367 F368 V425G367-V423 WeakPolarHBondContact O-CG1 3.29Å; F368-V423 HydrophobicContact CE1-CB 4.46Å; F368-V423 HydrophobicContact CE1-CG2 3.94Å; F368-V423 HydrophobicContact CE2-CG2 4.3Å; F368-V423 HydrophobicContact CZ-CG2 3.75Å; V423-V425 PolarHBondContact O-N 3.33Å
424P87Confident76.9Confident35 Ų3577.7 Ų77.723%0.22745%0.447CS..  trans-63.4113.6-178.1-21.633.5000110.3R369 D422 G426R369-P424 HydrophobicContact CG-CB 4.44Å; R369-P424 HydrophobicContact CG-CG 4.47Å; D422-P424 VanDerWaalsContact O-CD 3.27Å; D422-P424 WeakPolarHBondContact O-CD 2.93Å; P424-G426 PolarHBondContact O-N 2.58Å
425V76.5Confident75.4Confident124 Ų12480.2 Ų80.275%0.75247%0.468SS*.  trans-51.4118.4179.2-179.70000109.1V423 R427V423-V425 PolarHBondContact O-N 3.33Å; V425-R427 PolarHBondContact O-N 2.68Å
426G58.3Low73.9Confident47 Ų4781.2 Ų81.249%0.48549%0.485SS..  trans-55.1124-170.800000110.8P424 G428 A429P424-G426 PolarHBondContact O-N 2.58Å; G426-G428 PolarHBondContact O-N 3.05Å; G426-A429 PolarHBondContact O-N 2.97Å
427R54.5Low72.7Confident190 Ų19082.2 Ų82.272%0.71750%0.5SS*.Hα-helixtrans-58.7-9.8177.4-76.1-174.6176.6-174.2-4.2113.1V425 A429 A430 S431V425-R427 PolarHBondContact O-N 2.68Å; R427-A429 VanDerWaalsContact C-N 3.28Å; R427-A429 PolarHBondContact O-N 3.12Å; R427-A430 PolarHBondContact O-N 3.41Å; R427-S431 WeakPolarHBondContact O-CA 3.28Å; R427-S431 WeakPolarHBondContact O-CB 3.44Å; R427-S431 PolarHBondContact O-N 2.86Å; R427-S431 PolarHBondContact O-OG 2.9Å
428G49.8Very low71.5Confident47 Ų4783.8 Ų83.849%0.48551%0.511SS..Hα-helixtrans-62.8-28.2168.200000114.5G426 R432G426-G428 PolarHBondContact O-N 3.05Å; G428-R432 WeakPolarHBondContact O-CD 3.32Å; G428-R432 VanDerWaalsContact O-CG 3.28Å; G428-R432 WeakPolarHBondContact O-CG 3.33Å
429A52.2Low70.2Confident64 Ų6479.2 Ų79.253%0.52951%0.505SS..Hα-helixtrans-84.1-48.5170.800000111G426 R427 S431 R432 A433G426-A429 PolarHBondContact O-N 2.97Å; R427-A429 VanDerWaalsContact C-N 3.28Å; R427-A429 PolarHBondContact O-N 3.12Å; A429-S431 PolarHBondContact O-N 3.43Å; A429-R432 PolarHBondContact O-N 3.44Å; A429-A433 WeakPolarHBondContact O-CB 3.38Å; A429-A433 PolarHBondContact O-N 2.9Å
430A55.4Low68.9Low54 Ų5480.3 Ų80.345%0.44652%0.523SS..Hα-helixtrans-67.8-32.4-177.500000113.7R427 A434R427-A430 PolarHBondContact O-N 3.41Å; A430-A434 WeakPolarHBondContact O-CB 3.42Å; A430-A434 PolarHBondContact O-N 2.87Å
431S60Low67.2Low68 Ų6878 Ų7848%0.47652%0.523SS..Hα-helixtrans-76.9-32.4174.774.50000112.1R427 A429 A435R427-S431 WeakPolarHBondContact O-CA 3.28Å; R427-S431 WeakPolarHBondContact O-CB 3.44Å; R427-S431 PolarHBondContact O-N 2.86Å; R427-S431 PolarHBondContact O-OG 2.9Å; A429-S431 PolarHBondContact O-N 3.43Å; S431-A435 WeakPolarHBondContact O-CB 3.37Å; S431-A435 PolarHBondContact O-N 3.47Å
432R58.1Low65.6Low197 Ų19781.1 Ų81.174%0.74355%0.549SS*.Hα-helixtrans-67-42.9169.8-76.5179.3-179.2160.3-0.1111.2G428 A429 A436G428-R432 WeakPolarHBondContact O-CD 3.32Å; G428-R432 VanDerWaalsContact O-CG 3.28Å; G428-R432 WeakPolarHBondContact O-CG 3.33Å; A429-R432 PolarHBondContact O-N 3.44Å; R432-A436 WeakPolarHBondContact O-CB 3.46Å; R432-A436 PolarHBondContact O-N 3.04Å
433A61.2Low63.5Low63 Ų6377.7 Ų77.752%0.52155%0.548SS..Hα-helixtrans-65.1-43.4174.900000112.2A429 A437A429-A433 WeakPolarHBondContact O-CB 3.38Å; A429-A433 PolarHBondContact O-N 2.9Å; A433-A437 VanDerWaalsContact O-CB 3.22Å; A433-A437 WeakPolarHBondContact O-CB 3.44Å; A433-A437 PolarHBondContact O-N 3.33Å
434A63.1Low61.4Low59 Ų5978.9 Ų78.949%0.48856%0.564SS.*Hα-helixtrans-70.4-36.7177.100000112.8A430 A437 A438A430-A434 WeakPolarHBondContact O-CB 3.42Å; A430-A434 PolarHBondContact O-N 2.87Å; A434-A437 PolarHBondContact O-N 2.93Å; A434-A438 VanDerWaalsContact O-CB 3.25Å; A434-A438 WeakPolarHBondContact O-CB 3.31Å; A434-A438 PolarHBondContact O-N 2.82Å
435A63.7Low59.4Low61 Ų6184.7 Ų84.750%0.50459%0.592SS.*Hα-helixtrans-69.6-39.717400000111.6S431 A438 A439S431-A435 WeakPolarHBondContact O-CB 3.37Å; S431-A435 PolarHBondContact O-N 3.47Å; A435-A438 PolarHBondContact O-N 3.44Å; A435-A439 VanDerWaalsContact O-CB 3.26Å; A435-A439 WeakPolarHBondContact O-CB 3.24Å; A435-A439 PolarHBondContact O-N 3.31Å
436A65.6Low57.7Low61 Ų6187.9 Ų87.950%0.50460%0.601SS.*Hα-helixtrans-64.8-40.7172.300000111.8R432 A439 A440R432-A436 WeakPolarHBondContact O-CB 3.46Å; R432-A436 PolarHBondContact O-N 3.04Å; A436-A439 PolarHBondContact O-N 2.85Å; A436-A440 VanDerWaalsContact O-CB 3.27Å; A436-A440 WeakPolarHBondContact O-CB 3.47Å; A436-A440 PolarHBondContact O-N 3.45Å
437A68.9Low56.8Low63 Ų6390.4 Ų90.452%0.52162%0.617SS.*Hα-helixtrans-67.5-38.3175.100000112.5A433 A434 A440 G441A433-A437 VanDerWaalsContact O-CB 3.22Å; A433-A437 WeakPolarHBondContact O-CB 3.44Å; A433-A437 PolarHBondContact O-N 3.33Å; A434-A437 PolarHBondContact O-N 2.93Å; A437-A440 PolarHBondContact O-N 3.13Å; A437-G441 PolarHBondContact O-N 3.3Å
438A67.1Low56.3Low59 Ų5988.4 Ų88.449%0.48863%0.626SS.*Hα-helixtrans-68.1-41.1174.300000112.1A434 A435 S442A434-A438 VanDerWaalsContact O-CB 3.25Å; A434-A438 WeakPolarHBondContact O-CB 3.31Å; A434-A438 PolarHBondContact O-N 2.82Å; A435-A438 PolarHBondContact O-N 3.44Å; A438-S442 WeakPolarHBondContact O-CB 3.34Å; A438-S442 PolarHBondContact O-N 2.91Å; A438-S442 PolarHBondContact O-OG 3.25Å
439A65.7Low55.9Low73 Ų7390.1 Ų90.160%0.60364%0.644SS**Hα-helixtrans-63.3-42.9173.300000111.8A435 A436A435-A439 VanDerWaalsContact O-CB 3.26Å; A435-A439 WeakPolarHBondContact O-CB 3.24Å; A435-A439 PolarHBondContact O-N 3.31Å; A436-A439 PolarHBondContact O-N 2.85Å
440A66.9Low55.2Low76 Ų7691.3 Ų91.363%0.62866%0.662SS**Hα-helixtrans-69.3-41.1176.900000112.8A436 A437 S442 G443A436-A440 VanDerWaalsContact O-CB 3.27Å; A436-A440 WeakPolarHBondContact O-CB 3.47Å; A436-A440 PolarHBondContact O-N 3.45Å; A437-A440 PolarHBondContact O-N 3.13Å; A440-S442 VanDerWaalsContact C-N 3.26Å; A440-S442 PolarHBondContact O-N 3.38Å; A440-G443 PolarHBondContact O-N 2.86Å
441G58.9Low54.5Low54 Ų5492.7 Ų92.756%0.55768%0.682SS**Hα-helixtrans-68.9-21.4-18000000114.2A437 G443A437-G441 PolarHBondContact O-N 3.3Å; G441-G443 VanDerWaalsContact C-N 3.33Å
442S60.5Low53.6Low106 Ų10697.8 Ų97.874%0.74170%0.698SS**THydrogen-bonded Turntrans-83.6-4.6-179.9-55.30000114A438 A440A438-S442 WeakPolarHBondContact O-CB 3.34Å; A438-S442 PolarHBondContact O-N 2.91Å; A438-S442 PolarHBondContact O-OG 3.25Å; A440-S442 VanDerWaalsContact C-N 3.26Å; A440-S442 PolarHBondContact O-N 3.38Å
443G49Very low52.7Low69 Ų6996 Ų9671%0.71170%0.702SS**THydrogen-bonded Turntrans-98.41.4-17600000116.4A440 G441A440-G443 PolarHBondContact O-N 2.86Å; G441-G443 VanDerWaalsContact C-N 3.33Å
444A46.3Very low51.7Low86 Ų8696.5 Ų96.571%0.71171%0.714SS**  trans-107.215.5-162.200000116.2
445L46.2Very low50.4Low158 Ų158105.2 Ų105.283%0.82774%0.736SS**  trans-127.548.4-169.6-90.1167.8000114.8
446M41.3Very low49.6Very low191 Ų191110.6 Ų110.694%0.94175%0.75SS**  trans-153.885164.9-74.7-56.1166.400111.8
447A38.4Very low48.4Very low99 Ų99114.7 Ų114.782%0.81876%0.759SS**  trans-152.622.9179.300000116.9
448T44Very low47Very low148 Ų148119.1 Ų119.191%0.90877%0.769SS**  trans-152.6128.6172.846.30000112.2
449G41Very low45.6Very low84 Ų84123.4 Ų123.487%0.86678%0.778SS**  trans124.399166.900000114.2
450G38.1Very low44.5Very low88 Ų88128.1 Ų128.191%0.90779%0.788SS**  trans-81.2145.416900000111.8
451G39.7Very low43.2Very low83 Ų83133.4 Ų133.486%0.85680%0.8SS**  trans-173.8129.9177.300000110.1
452Q41.5Very low42.4Very low175 Ų175139.2 Ų139.282%0.81881%0.813SS**  trans-97.3157.8-166.1-162.5-169.2-26.100112.1
453L40.4Very low41.8Very low159 Ų159139.3 Ų139.383%0.83281%0.81SS**  trans81.7136.5164.1-49.4172.9000118
454G40.1Very low41.6Very low74 Ų74145.9 Ų145.976%0.76382%0.815SS**  trans132.793.6158.700000115.7
455Y34.7Very low41.8Very low243 Ų243147.4 Ų147.495%0.95382%0.816SS**  trans-63.6133.4173.6-65.1-102000113
456H47.9Very low41.9Very low174 Ų174147.8 Ų147.881%0.80682%0.818SS**  -157.9132.7125.3-156-104.7000111.7
457H40.5Very low42.2Very low146 Ų146147 Ų14768%0.67681%0.812SS**  trans-101.9111.5-178.4178.389.8000109.8Q459H457-Q459 PolarHBondContact CE1-NE2 2.93Å; H457-Q459 PolarHBondContact NE2-NE2 2.83Å
458Q38Very low42.2Very low156 Ų156150 Ų15073%0.72981%0.811SS**  trans-141.7114.1166.2-164.7177.16800109.7
459Q38Very low42.2Very low149 Ų149150.9 Ų150.970%0.69681%0.809SS**  trans-77.6122.2-177.2-60.3174.621.700109.9H457H457-Q459 PolarHBondContact CE1-NE2 2.93Å; H457-Q459 PolarHBondContact NE2-NE2 2.83Å
460Q43Very low42.4Very low172 Ų172153.1 Ų153.180%0.80481%0.811SS**  trans-110.9132.6162.5-74.3-172.2-3.200109.4
461Q39.7Very low42.5Very low187 Ų187154.4 Ų154.487%0.87481%0.807SS**PPolyproline II helixtrans-85.8128.7-169.4-64.3171.1-3.300110.4
462Q41.7Very low42.5Very low177 Ų177154.4 Ų154.483%0.82781%0.807SS**PPolyproline II helixtrans-75.9146.9170.3-68.4-77.9-19.700109.8
463P47.4Very low42.8Very low107 Ų107150.8 Ų150.870%0.69580%0.801SS**PPolyproline II helixtrans-68.9141.7-17427.7-34.4000112.6
464Y44.8Very low43.1Very low207 Ų207153.1 Ų153.181%0.81280%0.8SS**PPolyproline II helixtrans-60.6135.1-176.257.2-83.5000113.4
465T52.1Low43.1Very low119 Ų119153.3 Ų153.373%0.7380%0.802SS**PPolyproline II helixtrans-88.3144.2158.648.20000109.7E467T465-E467 VanDerWaalsContact C-N 3.28Å; T465-E467 PolarHBondContact O-N 3.21Å
466L46.4Very low43.4Very low165 Ų165145.8 Ų145.886%0.86480%0.798SS**SBendtrans-80.869.3-174.1-164.6145.4000111.2
467E47.7Very low42.9Very low174 Ų174141.3 Ų141.381%0.81380%0.8SS**  trans-142.657.5176.2-70.7-160.9140.900111.9T465T465-E467 VanDerWaalsContact C-N 3.28Å; T465-E467 PolarHBondContact O-N 3.21Å
468M38.4Very low42.8Very low163 Ų163138.6 Ų138.680%0.80381%0.811SS**  trans-158.752.8177.2-126.3166.957.300115.7
469L44Very low42.9Very low167 Ų167134 Ų13487%0.87481%0.806SS**  trans-136.578.1166.2-78.198.6000112.3
470S46.4Very low43.1Very low130 Ų130137.8 Ų137.891%0.90982%0.815SS**  trans-176.761.1149.3-82.10000111
471S40Very low43.2Very low115 Ų115133.8 Ų133.880%0.80481%0.811SS**  trans-119.1103.2168.841.50000108.8
472G39.6Very low43.2Very low83 Ų83130 Ų13086%0.85681%0.813SS**  trans-175.448.1-169.400000114.1
473S48.3Very low43.5Very low100 Ų100126.5 Ų126.570%0.69981%0.814SS**  trans-146.8156.2161.9-1610000111.8
474Y45.7Very low43.5Very low207 Ų207131.7 Ų131.781%0.81283%0.825SS**  trans-106.7143.9-153.640.6-91.2000112.8
475G41Very low43.8Very low78 Ų78129.5 Ų129.580%0.80483%0.827SS**  trans57.1105.813700000120.9
476G40.2Very low43.9Very low85 Ų85132 Ų13288%0.87683%0.831SS**  trans99.3140.7154.400000115.4
477G38.4Very low45Very low81 Ų81129.9 Ų129.984%0.83583%0.827SS**  cis164.9104.6-5.800000113
478G38.8Very low45.4Very low88 Ų88132 Ų13291%0.90783%0.827SS**  trans85.5149.1163.200000117.8
479G39.7Very low46Very low61 Ų61132.2 Ų132.263%0.62983%0.832SS**  trans114.771.3148.200000119.4
480Y41Very low46.2Very low227 Ų227130.1 Ų130.189%0.8982%0.822SS**  trans28152.5143.363.2-97.6000124.3
481A46.3Very low46.6Very low88 Ų88132 Ų13273%0.72782%0.82SS**  trans81.488.6155.300000119.9
482A39.2Very low47Very low109 Ų109136.3 Ų136.390%0.90183%0.825SS**  trans-1.7120.1140.200000119.5
483A48.1Very low47.6Very low102 Ų102139 Ų13984%0.84383%0.825SS**  trans-141.4146.5142.100000108.7
484K48.1Very low47.5Very low217 Ų217142 Ų14294%0.94383%0.833SS**  trans-85.9128.5174.9-63.2170.4178.8175.40108.2
485D49.5Very low47.8Very low160 Ų160137.5 Ų137.586%0.85683%0.832SS**  trans-138.5137.4166.8-162-123000109.3
486E54.8Low48.5Very low173 Ų173141.9 Ų141.981%0.80884%0.836SS**  trans-116.7117.8-170-172.7-177.5142.400108.4R488E486-R488 PolarHBondContact O-N 3.14Å
487P69.5Low48.9Very low119 Ų119146.4 Ų146.477%0.77384%0.839SS**  trans-71.7130.7-174.928.1-33.3000111.2
488R55.6Low49.5Very low218 Ų218152 Ų15282%0.82386%0.864SS**  trans-90.4113.9-170-164.1-173.8-150.5127.60.2111.1E486 D490E486-R488 PolarHBondContact O-N 3.14Å; R488-D490 PolarHBondContact O-N 3.47Å; R488-D490 VanDerWaalsContact O-N 3.13Å
489D52.9Low50Low168 Ų168155.3 Ų155.390%0.89886%0.861SS**  trans-77.188.8172.1-75.7-48.6000111.3
490D47.3Very low50.6Low124 Ų124160.2 Ų160.266%0.66387%0.874SS**  trans-136.9162.1165.7-86.2-57000109.2R488R488-D490 PolarHBondContact O-N 3.47Å; R488-D490 VanDerWaalsContact O-N 3.13Å
491L54.5Low51.1Low168 Ų168156.5 Ų156.588%0.8887%0.873SS**  trans84.666.2178.5-46.6179.9000117.8
492F49.3Very low51.4Low206 Ų206160.5 Ų160.590%0.90488%0.881SS**  trans-143.952.6148-152.2-93.4000114.1
493V51.1Low52.2Low140 Ų140163.8 Ų163.885%0.84888%0.88SS**  trans-14681.2160.1-170.80000109.7
494D46.4Very low52.4Low162 Ų162167.9 Ų167.987%0.86688%0.883SS**  trans-167.7109.8148.6-115.4-38.6000111.7
495S52.1Low52.7Low114 Ų114164.4 Ų164.480%0.79788%0.878SS**  trans-175.3142.6158.2-880000111.1
496L55.4Low53Low169 Ų169164.7 Ų164.789%0.88588%0.88SS**  trans77.359.1170.2-56.4165.2000116.5
497L49.8Very low52.8Low180 Ų180164 Ų16494%0.94289%0.886SS**  trans-105.4104.6133.4-100.3159.5000108.3
498C50.2Low51.3Low200 Ų200168.1 Ų168.1100%1.35190%0.896SS**  trans-142.10159.7-90.80000106.9

Retrieved 498 of 498 residues in 141.2 ms (Link to these results)