A0A3Q0KSH9_SCHMA Loading...

LIM zinc-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KSH9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 438 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
1M48.9Very low41.6Very low240 Ų240153.7 Ų153.7100%1.18282%0.822SS**  0111.90-66.3-71.4-175.200106.8
2H41Very low41.4Very low196 Ų196154.6 Ų154.691%0.90782%0.817SS**  trans-82.3141-149.3-118.5-96.1000115.2
3F32.2Very low41.3Very low190 Ų190159.5 Ų159.583%0.83382%0.82SS**  trans-70.1150.6158.1-75.4-96.5000111.4
4S40.8Very low41.6Very low104 Ų104162 Ų16273%0.72782%0.822SS**  trans160.8115142-77.20000110.5
5K43.6Very low41.4Very low191 Ų191163.3 Ų163.383%0.8383%0.827SS**  86.5117.183-84.3178.9173.2174.80114.4
6V43.8Very low41.8Very low120 Ų120160.8 Ų160.873%0.72783%0.825SS**  48.7122.7127.4-164.90000118.1
7N37.7Very low41.8Very low148 Ų148156.5 Ų156.579%0.79182%0.82SS**  -173.1121.5122.8-87.4-17.3000110.7
8G35.3Very low41.7Very low72 Ų72159.2 Ų159.274%0.74282%0.823SS**  trans-88.4141.3167.200000110.1
9N43.2Very low41.6Very low151 Ų151156.9 Ų156.981%0.80782%0.822SS**  trans-133.1105.3173.9-70.9-19.8000108.7
10E38Very low41.5Very low173 Ų173155.7 Ų155.781%0.80882%0.822SS**  trans-76147.1155.4-106.4-160.6137.400109.4
11P53.3Low41.2Very low106 Ų106157.7 Ų157.769%0.68882%0.824SS**  trans-115.4110154.331.1-16.9000110.9Y13P11-Y13 PolarHBondContact O-N 3.47Å
12H39.5Very low41.2Very low164 Ų164152.2 Ų152.276%0.75981%0.807SS**  trans-57.5121.6159.6-114.4-86.9000110.2
13Y39.9Very low41Very low219 Ų219150.2 Ų150.286%0.85980%0.802SS**  trans-122.8115.5160.5-93.7-85.8000110.9P11P11-Y13 PolarHBondContact O-N 3.47Å
14K45.9Very low41.6Very low194 Ų194149.1 Ų149.184%0.84380%0.8SS**PPolyproline II helixtrans-68.1138.9178.9-79.3169.1168.8174.30111.8
15M37.9Very low41.5Very low181 Ų181150.3 Ų150.389%0.89280%0.798SS**PPolyproline II helixtrans-72142.1159.8-64.4-10592.600110.5
16P48Very low41.3Very low124 Ų124147.3 Ų147.381%0.80580%0.795SS**PPolyproline II helixtrans-97.7136.9163.533.3-25.9000111.6
17A42.3Very low41.2Very low88 Ų88148.3 Ų148.373%0.72780%0.801SS**PPolyproline II helixtrans-94.1149.2173.600000111.5
18K38.8Very low41.2Very low205 Ų205150.5 Ų150.589%0.89180%0.804SS**  trans50.1112.5146.9-67.9174.5177.7177.90119.4
19S40Very low41.2Very low115 Ų115150 Ų15080%0.80480%0.799SS**  trans-143.4106.2143.751.80000107.5
20T40.9Very low41Very low132 Ų132148.5 Ų148.581%0.8180%0.8SS**  69.5102.489.4-50.40000112.8
21F35Very low41.2Very low198 Ų198144.9 Ų144.987%0.86879%0.794SS**  trans-63.8151169.5-65.5-91.8000112.4
22P49Very low40.6Very low126 Ų126145.4 Ų145.482%0.81880%0.795SS**  trans-108.4118.4150.231-17.5000110.6
23N36Very low40.6Very low153 Ų153145.8 Ų145.882%0.81880%0.803SS**  trans-75.8132.4156-82.2-56.3000107.8
24H45Very low40.8Very low168 Ų168142.2 Ų142.278%0.77880%0.804SS**  trans-153.3127150.8-116.7-87.7000111
25D39.4Very low40.9Very low129 Ų129137 Ų13769%0.6980%0.797SS**  trans73.998.6147.9-56.8-17.3000123
26V39.6Very low41.3Very low128 Ų128133.2 Ų133.278%0.77679%0.786SS**  trans-51.3121.3144.31720000111.5
27V41.6Very low41Very low140 Ų140133.8 Ų133.885%0.84878%0.781SS**  trans-135127.2150.7179.80000109.2
28K37.4Very low41.2Very low195 Ų195136.9 Ų136.985%0.84878%0.781SS**  trans-83.5145.7-179.3-69.3170.2173.7173.30111.3
29G35.3Very low41.3Very low62 Ų62134.7 Ų134.764%0.63977%0.773SS**  trans166.497.5160.400000109.2
30S37.6Very low41.4Very low119 Ų119135.2 Ų135.283%0.83277%0.766SS**  53.9130.597.767.90000112.9
31S42.1Very low41.2Very low97 Ų97136 Ų13668%0.67876%0.758SS**  cis-174148.60.752.30000105.3
32T42.3Very low41.7Very low117 Ų117131.7 Ų131.772%0.71875%0.748SS**  trans5899.7153.560.30000118.7
33D37.8Very low41.4Very low171 Ų171130.6 Ų130.691%0.91474%0.739SS**  trans-150.688.7134.1-92.3-28.5000108.7
34V45.3Very low41.8Very low145 Ų145131.1 Ų131.188%0.87973%0.734SS**  trans-94.894.1171.8178.20000106.8
35A47.2Very low41.7Very low84 Ų84130.7 Ų130.769%0.69473%0.731SS**  trans-81.3133.4168.500000109.7L37A35-L37 PolarHBondContact O-N 3.21Å
36P45.9Very low42Very low102 Ų102128.5 Ų128.566%0.66273%0.726SS**  trans-67.5125.5-176.8-16.329.1000112.4E38P36-E38 PolarHBondContact O-N 3.4Å
37L43.5Very low42.3Very low135 Ų135130.1 Ų130.171%0.70772%0.722SS**THydrogen-bonded Turntrans-68.820.4176.8-103.7147.2000114.6A35A35-L37 PolarHBondContact O-N 3.21Å
38E44.7Very low42.6Very low154 Ų154129 Ų12972%0.7271%0.711SS**THydrogen-bonded Turntrans-94-11.7-172.3-64.2-168.6160.700114.4P36P36-E38 PolarHBondContact O-N 3.4Å
39H42.3Very low43.2Very low159 Ų159123.3 Ų123.374%0.73669%0.692SS**SBendtrans-97.4-1-178.5-83-77.8000115.9
40L42.4Very low43.9Very low125 Ų125125.9 Ų125.965%0.65469%0.69SS**SBendtrans-93.3-14.7177.8-75.6168.5000114.2
41F36Very low44.3Very low148 Ų148126 Ų12665%0.64968%0.682SS**SBendtrans-86.5-23.3177.7-84-87.5000113.8
42V44.7Very low44.9Very low108 Ų108125.9 Ų125.966%0.65567%0.673SS**SBendtrans-87.9-12.5-173.6-177.90000113.3
43T43.6Very low45.5Very low103 Ų103126 Ų12663%0.63267%0.666SS**SBendtrans-104.3-5.7-178.7450000114.3
44K44.4Very low46.1Very low164 Ų164124 Ų12471%0.71365%0.646SS**SBendtrans-101.1-8.8-175.8-122.9176.9-177.8179.70115.5
45F43.6Very low46.7Very low160 Ų160125.2 Ų125.270%0.70264%0.64SS**SBendtrans-118.20.9179.7-71.9-79.4000114.7K47F45-K47 PolarHBondContact O-N 3.46Å
46S45.1Very low46.9Very low83 Ų83128.5 Ų128.558%0.5864%0.635SS**THydrogen-bonded Turntrans-87.317-168.244.80000116.3
47K46Very low47.3Very low161 Ų161128.5 Ų128.570%0.763%0.63SS**THydrogen-bonded Turntrans-141.312.7-178.9-71.2-170.8-179.7178.90116.5F45 T49F45-K47 PolarHBondContact O-N 3.46Å; K47-T49 PolarHBondContact O-N 2.85Å; K47-T49 VanDerWaalsContact O-N 3.14Å
48L47.3Very low47.9Very low118 Ų118127.5 Ų127.562%0.61863%0.625SS**SBendtrans-75.7101.3158.6-83.1159.9000105.9I50L48-I50 PolarHBondContact O-N 3.48Å
49T49.1Very low48.2Very low74 Ų74123 Ų12345%0.45461%0.614SS.*  trans-53.9125179.431.80000108.9K47 D51 D52K47-T49 PolarHBondContact O-N 2.85Å; K47-T49 VanDerWaalsContact O-N 3.14Å; T49-D51 PolarHBondContact O-N 3.37Å; T49-D52 PolarHBondContact O-N 2.85Å; T49-D52 PolarHBondContact OG1-OD2 3.06Å
50I50.3Low48.5Very low117 Ų117123 Ų12360%0.661%0.609SS**Hα-helixtrans-47.5-24.2176.2-67.3162.9000111.4L48 D52 Y54L48-I50 PolarHBondContact O-N 3.48Å; I50-D52 PolarHBondContact O-N 3.06Å; I50-Y54 HydrophobicContact CG2-CD2 3.94Å; I50-Y54 HydrophobicContact CG2-CE2 4.07Å; I50-Y54 WeakPolarHBondContact O-CD2 3.34Å; I50-Y54 PolarHBondContact O-N 2.86Å
51D45.9Very low48.9Very low121 Ų121122 Ų12265%0.64760%0.603SS**Hα-helixtrans-65.1-31.9175.8-56.7-42.2000114.7T49 K55T49-D51 PolarHBondContact O-N 3.37Å; D51-K55 PolarHBondContact O-N 3.47Å
52D55.2Low49.6Very low95 Ų95118.8 Ų118.851%0.50860%0.595SS.*Hα-helixtrans-81.8-28.3-178.2-70.9-34.1000112.2T49 I50T49-D52 PolarHBondContact O-N 2.85Å; T49-D52 PolarHBondContact OG1-OD2 3.06Å; I50-D52 PolarHBondContact O-N 3.06Å
53E55.1Low49.9Very low119 Ų119118.4 Ų118.456%0.55659%0.593SS**Hα-helixtrans-76.3-31172.7-67-171.8163.800112N57E53-N57 PolarHBondContact O-N 3.46Å; E53-N57 PolarHBondContact O-ND2 3.42Å
54Y49.7Very low50Low130 Ų130119.5 Ų119.551%0.5159%0.591SS.*Hα-helixtrans-69.9-36.2175.1-101.7-92.2000112.8I50 Y56 L58 F289I50-Y54 HydrophobicContact CG2-CD2 3.94Å; I50-Y54 HydrophobicContact CG2-CE2 4.07Å; I50-Y54 WeakPolarHBondContact O-CD2 3.34Å; I50-Y54 PolarHBondContact O-N 2.86Å; Y54-Y56 VanDerWaalsContact C-N 3.34Å; Y54-L58 WeakPolarHBondContact O-CB 3.25Å; Y54-L58 PolarHBondContact O-N 3.4Å; Y54-F289 HydrophobicContact CE2-CZ 4.3Å; Y54-F289 WeakPolarHBondContact OH-CZ 3.31Å
55K58.3Low50.1Low169 Ų169117.7 Ų117.774%0.73559%0.589SS**Hα-helixtrans-72.2-28.4179.2-157.8173-177.5-179.80112.8D51D51-K55 PolarHBondContact O-N 3.47Å
56Y51.9Low49.9Very low153 Ų153115 Ų11560%0.658%0.582SS**Hα-helixtrans-81.3-36.7178.9-138.3-91.6000112.8Y54 V363Y54-Y56 VanDerWaalsContact C-N 3.34Å; Y56-V363 HydrophobicContact CE1-CG2 4.48Å; Y56-V363 WeakPolarHBondContact OH-CG2 3.38Å
57N54.3Low49.5Very low103 Ų103115 Ų11555%0.55160%0.595SS**Hα-helixtrans-80.6-27.5179.5-72.1-35.6000113.6E53 L61E53-N57 PolarHBondContact O-N 3.46Å; E53-N57 PolarHBondContact O-ND2 3.42Å; N57-L61 PolarHBondContact O-N 2.86Å
58L55.4Low49.4Very low114 Ų114112.7 Ų112.760%0.59760%0.595SS**Hα-helixtrans-73.2-31.9173.9-147.580.1000112.1Y54 Y60 V62Y54-L58 WeakPolarHBondContact O-CB 3.25Å; Y54-L58 PolarHBondContact O-N 3.4Å; L58-Y60 VanDerWaalsContact C-N 3.31Å; L58-Y60 PolarHBondContact O-N 3.18Å; L58-V62 HydrophobicContact CG-CG2 4.47Å; L58-V62 WeakPolarHBondContact O-CB 3.49Å; L58-V62 WeakPolarHBondContact O-CG2 3.4Å; L58-V62 PolarHBondContact O-N 3.48Å; L58-V62 VanDerWaalsContact O-N 3.14Å
59A51.6Low49.1Very low60 Ų60112.6 Ų112.650%0.49660%0.6SS.*Hα-helixtrans-66.6-32.2176.500000112.5T63A59-T63 WeakPolarHBondContact O-CG2 3.06Å; A59-T63 PolarHBondContact O-OG1 3.28Å
60Y48.3Very low48.5Very low159 Ų159115.1 Ų115.162%0.62462%0.617SS**Hα-helixtrans-81.6-33.3-180-153.4-96.8000112.8L58 T63 E64L58-Y60 VanDerWaalsContact C-N 3.31Å; L58-Y60 PolarHBondContact O-N 3.18Å; Y60-T63 PolarHBondContact O-OG1 2.96Å; Y60-E64 WeakPolarHBondContact CE1-OE1 2.94Å
61L50.6Low47.9Very low102 Ų102115.2 Ų115.253%0.53462%0.623SS.*Hα-helixtrans-81.9-19.4178.3-72.6167.3000114.1N57 N65N57-L61 PolarHBondContact O-N 2.86Å; L61-N65 PolarHBondContact O-ND2 2.87Å; L61-N65 VanDerWaalsContact O-ND2 3.14Å
62V51.1Low47.5Very low81 Ų81115.5 Ų115.549%0.49163%0.629SS.*Hα-helixtrans-83-18.4173.31740000111.9L58 N66L58-V62 HydrophobicContact CG-CG2 4.47Å; L58-V62 WeakPolarHBondContact O-CB 3.49Å; L58-V62 WeakPolarHBondContact O-CG2 3.4Å; L58-V62 PolarHBondContact O-N 3.48Å; L58-V62 VanDerWaalsContact O-N 3.14Å; V62-N66 PolarHBondContact O-ND2 2.92Å; V62-N66 VanDerWaalsContact O-ND2 3.1Å
63T50.5Low46.6Very low100 Ų100120.5 Ų120.561%0.61365%0.646SS**Hα-helixtrans-87.4-19.1176.646.80000114.6A59 Y60A59-T63 WeakPolarHBondContact O-CG2 3.06Å; A59-T63 PolarHBondContact O-OG1 3.28Å; Y60-T63 PolarHBondContact O-OG1 2.96Å
64E47.1Very low45.7Very low126 Ų126119.5 Ų119.559%0.58965%0.653SS**Hα-helixtrans-97-12.4-178.9-66.2-170.3160.500114Y60Y60-E64 WeakPolarHBondContact CE1-OE1 2.94Å
65N46.5Very low44.8Very low126 Ų126119 Ų11967%0.67467%0.668SS**SBendtrans-108.93.2-178.9-68.5-51.8000114.8L61L61-N65 PolarHBondContact O-ND2 2.87Å; L61-N65 VanDerWaalsContact O-ND2 3.14Å
66N38.5Very low44Very low103 Ų103119.7 Ų119.755%0.55167%0.674SS**  trans-114.573.9174.6-68.6-39.8000110.1V62 T68V62-N66 PolarHBondContact O-ND2 2.92Å; V62-N66 VanDerWaalsContact O-ND2 3.1Å; N66-T68 PolarHBondContact O-N 3.4Å
67G36.8Very low43.1Very low83 Ų83119 Ų11986%0.85669%0.686SS**  trans-6574.4162.900000110.6
68T44.7Very low42.3Very low113 Ų113122.5 Ų122.569%0.69370%0.699SS**  trans-139.3106.4172.529.90000108.7N66N66-T68 PolarHBondContact O-N 3.4Å
69T40.6Very low41.5Very low117 Ų117125.1 Ų125.172%0.71871%0.705SS**  trans-43134.7170.249.40000111.9V71T69-V71 PolarHBondContact O-N 3.03Å
70P36.6Very low40.8Very low127 Ų127129.8 Ų129.883%0.82572%0.717SS**  trans-71102.5168.229.1-29.9000108.3V72P70-V72 PolarHBondContact O-N 2.95Å
71V38.1Very low40.1Very low118 Ų118132.8 Ų132.872%0.71573%0.727SS**  trans-64.2114.3167173.50000107.8T69 K73T69-V71 PolarHBondContact O-N 3.03Å; V71-K73 PolarHBondContact O-N 3.01Å; V71-K73 VanDerWaalsContact O-N 3.12Å
72V37.8Very low39.3Very low128 Ų128132.7 Ų132.778%0.77674%0.735SS**  trans-53.8109.9169176.30000108.4P70 S74P70-V72 PolarHBondContact O-N 2.95Å; V72-S74 PolarHBondContact O-N 3.2Å
73K35.1Very low38.5Very low199 Ų199135 Ų13587%0.86575%0.749SS**  trans-85.893.2167.9-76.2-176.2178.6178.60108.6V71V71-K73 PolarHBondContact O-N 3.01Å; V71-K73 VanDerWaalsContact O-N 3.12Å
74S36Very low38Very low99 Ų99136.9 Ų136.969%0.69276%0.76SS**  trans-60.8126.715846.40000109.5V72 Q76V72-S74 PolarHBondContact O-N 3.2Å; S74-Q76 PolarHBondContact O-N 2.78Å
75S30.7Very low37.3Very low119 Ų119135.4 Ų135.483%0.83276%0.764SS**  trans-62.9109.5172.648.60000111
76Q42.8Very low36.8Very low184 Ų184136.1 Ų136.186%0.8677%0.768SS**  trans-132114.9156.5-76.6-173.7-12.900109.2S74S74-Q76 PolarHBondContact O-N 2.78Å
77T33Very low37Very low138 Ų138137.3 Ų137.385%0.84778%0.779SS**  trans-54.3122.9165.2440000111
78E35.8Very low37.4Very low176 Ų176142 Ų14282%0.82278%0.776SS**  trans-164.8122136.6-147.6135.2-15900114
79K38.8Very low37.1Very low169 Ų169143 Ų14374%0.73578%0.784SS**  trans8.1123.7152-69.8166.8179.4168.70121.2
80Q37.4Very low37Very low159 Ų159144.3 Ų144.374%0.74379%0.786SS**  71.4121.3122-69.2-172.5-1.300121
81R33.1Very low37.2Very low221 Ų221145 Ų14583%0.83478%0.783SS**  112.7122.5129.6-86.7173.3178.7-172.6-0.1118.7
82S34.7Very low37.1Very low100 Ų100150.6 Ų150.670%0.69979%0.791SS**  trans61.5108.1144.152.60000117.9
83V34.7Very low37.3Very low130 Ų130151.3 Ų151.379%0.78879%0.789SS**  61.9103.385.8179.30000111.3
84T39.1Very low37.4Very low139 Ų139148.4 Ų148.485%0.85378%0.778SS**  -177.4138.7120.330.50000109.5
85S33.6Very low37.7Very low95 Ų95149.6 Ų149.666%0.66478%0.781SS**  trans-84.3168.1179450000111.8
86N34.4Very low37.9Very low141 Ų141149.7 Ų149.775%0.75477%0.772SS**  trans87.5106.9161-52-29.8000116.2
87T43.1Very low37.6Very low129 Ų129146 Ų14679%0.79177%0.767SS**  -178.3122109.429.40000112.4
88K46.4Very low38Very low181 Ų181147.1 Ų147.179%0.78777%0.766SS**  trans57123.1147.6-64.4174.2178.7174.60120.7
89P36.7Very low38.3Very low133 Ų133145.4 Ų145.486%0.86476%0.758SS**  trans-100.5122.8146.333.2-21.1000110.4
90L39.9Very low38.2Very low145 Ų145146.7 Ų146.776%0.75976%0.758SS**  trans-112.7114.4164.8-84.5169.9000108.2
91N39.8Very low38.3Very low141 Ų141148.2 Ų148.275%0.75476%0.762SS**  169.3101.8120.1-85.4-23.5000110.4
92R36.6Very low38.4Very low237 Ų237143.1 Ų143.189%0.89476%0.76SS**  trans-87.2108.7162.7-173.2177.7-174.9145.7-0.4106.1
93I41.3Very low38.5Very low142 Ų142147.2 Ų147.273%0.72877%0.769SS**  trans-110.4109.4166.6-63.6175.4000106.5V95I93-V95 HydrophobicContact CG2-CG2 3.83Å
94H38.3Very low38.8Very low138 Ų138147 Ų14764%0.63977%0.77SS**  trans-95120169.4-167-75.4000106.7D96H94-D96 IonicContact CE1-OD2 2.74Å; H94-D96 PolarHBondContact CE1-OD2 2.87Å; H94-D96 IonicContact NE2-OD2 3.48Å
95V41.9Very low38.8Very low125 Ų125146.1 Ų146.176%0.75876%0.764SS**  trans-131.497.6167.7-179.50000106.9I93I93-V95 HydrophobicContact CG2-CG2 3.83Å
96D34.7Very low38.7Very low120 Ų120148.9 Ų148.964%0.64277%0.77SS**  trans-95.9147.1159.3-93.6-31.4000108.5H94H94-D96 IonicContact CE1-OD2 2.74Å; H94-D96 PolarHBondContact CE1-OD2 2.87Å; H94-D96 IonicContact NE2-OD2 3.48Å
97S36.4Very low38.7Very low107 Ų107149.5 Ų149.575%0.74877%0.768SS**  trans78.377.7156.5-54.30000119.3
98I40.4Very low38.5Very low162 Ų162148.8 Ų148.883%0.83176%0.763SS**  trans-144.391.7137.9-53.9-176.7000110.8
99Q42.1Very low37.9Very low140 Ų140146.7 Ų146.765%0.65476%0.761SS**  42.4123.3125.7-76.7-17811.400121.5
100R36.9Very low37.9Very low196 Ų196149.4 Ų149.474%0.7476%0.762SS**  trans80104.3131.7-66.4178.4-140.3-1267.9118.4
101K39.5Very low37.8Very low190 Ų190154 Ų15483%0.82677%0.769SS**  166.8125.195.4-98.9158.8-177-1750113.1
102S36.8Very low37.6Very low114 Ų114150.2 Ų150.280%0.79776%0.764SS**  trans65.596.5143.2610000120.3
103E35.5Very low37.5Very low186 Ų186148 Ų14887%0.86976%0.761SS**PPolyproline II helixtrans-101142.4140.5-84.2-17714700109.5
104P42.1Very low37.2Very low125 Ų125150.4 Ų150.481%0.81277%0.769SS**PPolyproline II helixtrans-82.3124.8174.131.2-29.3000111.4
105V37.6Very low37.2Very low122 Ų122153.8 Ų153.874%0.73978%0.776SS**PPolyproline II helixtrans-70.7127.3170.3174.60000109.8
106I33.4Very low36.8Very low153 Ų153152.3 Ų152.379%0.78577%0.771SS**  trans-104105160.8-59.8177.8000107.4T108I106-T108 HydrophobicContact CG2-CG2 4.44Å
107H33.2Very low36.7Very low153 Ų153153.4 Ų153.471%0.70879%0.786SS**  trans-68.1129.2163.8-109.9-97.2000108.6
108T39.3Very low36.8Very low114 Ų114159.4 Ų159.470%0.69979%0.793SS**  trans-128.4127.4153.6460000109.2I106I106-T108 HydrophobicContact CG2-CG2 4.44Å
109D33.9Very low36.5Very low138 Ų138161.3 Ų161.374%0.73879%0.791SS**  trans-74.2126.4-169.2-63.7-49.2000111.7R111D109-R111 PolarHBondContact O-N 3.46Å
110H36.6Very low36.3Very low190 Ų190164.8 Ų164.888%0.8880%0.798SS**  trans-83.382.1163.1-69.1-64.1000109.7
111R38.6Very low36.2Very low240 Ų240166.1 Ų166.191%0.90680%0.803SS**  trans-144.8114.7161.6-78.8-166.2179.3-171.60.8111.7D109D109-R111 PolarHBondContact O-N 3.46Å
112G33.8Very low36.2Very low63 Ų63166.6 Ų166.665%0.64981%0.808SS**  trans94.790.3144.900000116.7
113F35.2Very low36.5Very low191 Ų191170.2 Ų170.284%0.83881%0.809SS**  trans-146.483.4137.2-92.7-76000109.1
114H35.3Very low36.7Very low192 Ų192167.2 Ų167.289%0.88981%0.806SS**  trans-98.8104.3159.3-127.7-80.3000106.2
115R37.3Very low36.7Very low209 Ų209170 Ų17079%0.78981%0.813SS**  trans-132.190.7165.6-76.4-170.8179.7-159.91.3106.3
116S34.3Very low36.7Very low93 Ų93175.6 Ų175.665%0.6582%0.821SS**  74.691.596.769.70000113.4
117C31.9Very low37.2Very low143 Ų143172.1 Ų172.197%0.96682%0.823SS**  trans-119.198.7143-99.20000107.3
118R38.8Very low37.6Very low233 Ų233173.9 Ų173.988%0.87983%0.829SS**  trans-84.3128.9164.2-70.9178.2175.2174.5-1106.5
119Y34.5Very low37.7Very low203 Ų203175.2 Ų175.280%0.79684%0.836SS**  trans-155.1123.5133-126.7-92.6000112.1
120R37.5Very low38Very low213 Ų213173.2 Ų173.280%0.80484%0.839SS**  trans51.5103159.4-81.6-178.9177.7171.3-1.1121.8
121R34.8Very low38Very low224 Ų224168.1 Ų168.185%0.84583%0.83SS**  trans-60.1142.9147.7-66.9172.3167167.8-5.8112.3
122Q40.8Very low38Very low199 Ų199168.4 Ų168.493%0.9383%0.831SS**  trans-132.9142.5134.5-73.1-168.510.600109
123K43.4Very low38.1Very low190 Ų190174 Ų17483%0.82684%0.84SS**  trans-89.1157.1-160.9-71.7171.9173.8177.30113
124P38.7Very low38.2Very low124 Ų124170.4 Ų170.481%0.80584%0.838SS**  trans-95.4159.6177.737.5-31.9000113.3
125L41.7Very low38Very low182 Ų182166.7 Ų166.795%0.95383%0.834SS**  trans-115.5135.3165.2-77.4172.4000110.7
126R38.8Very low38.3Very low240 Ų240162.5 Ų162.591%0.90683%0.834SS**  trans-69148-176.4-84171.6159-179-3.9113.1
127G42.4Very low38.7Very low80 Ų80164 Ų16483%0.82584%0.839SS**  trans-159.9109.1152.500000110.1
128K41.7Very low38.6Very low190 Ų190167.6 Ų167.683%0.82683%0.834SS**  trans-74153.4170.6-67.8171.3174179.10108.8
129V42.3Very low38.5Very low142 Ų142163.7 Ų163.786%0.86183%0.829SS**  -179.2127.6128.9155.10000110.6
130A39.5Very low38.3Very low96 Ų96158.7 Ų158.779%0.79382%0.823SS**  trans31.9134.6150.800000123.7
131A37.5Very low38.1Very low84 Ų84154 Ų15469%0.69482%0.824SS**  trans-48.5151162.900000115.1
132R37.9Very low38.4Very low246 Ų246148.6 Ų148.693%0.92882%0.817SS**  trans-160.1135138.8-102.4158.6-165.2-133.83.8110.2
133H36.9Very low38.1Very low180 Ų180147.5 Ų147.583%0.83381%0.812SS**  trans-68.7141.8176.5-54.1-94.4000111
134S35.7Very low37.8Very low115 Ų115144.3 Ų144.380%0.80481%0.813SS**  trans177.7118.1143.249.60000110.9
135S32.2Very low37.7Very low114 Ų114147.9 Ų147.980%0.79781%0.812SS**  trans-67.2148.1162-49.70000111
136P43.8Very low37.5Very low122 Ų122146 Ų14679%0.79280%0.799SS**  trans-106.1111156.529.9-17.2000108.7
137V41.3Very low37.5Very low124 Ų124142.3 Ų142.375%0.75279%0.791SS**  49.9107.683.6-172.70000113.7I139V137-I139 HydrophobicContact CG1-CG1 4.38Å
138Y30Very low37.3Very low219 Ų219147.7 Ų147.786%0.85980%0.797SS**  trans-62.5130.1164.4-123.5-100.8000109.9
139I37.3Very low36.9Very low151 Ų151143.1 Ų143.177%0.77479%0.789SS**  trans-129.1112.4161.6-62.7178.3000107.5V137V137-I139 HydrophobicContact CG1-CG1 4.38Å
140S30.3Very low36.8Very low97 Ų97141.7 Ų141.768%0.67879%0.786SS**  trans-77.9135.1163-40.70000108.5
141S33.9Very low36.8Very low116 Ų116143.9 Ų143.981%0.81178%0.784SS**  trans-159148144.7-85.90000111
142P41.1Very low36.9Very low109 Ų109150 Ų15071%0.70880%0.795SS**  trans-109.6-174.5-161.331-11000112.3
143E34.1Very low36.9Very low177 Ų177146.1 Ų146.183%0.82779%0.793SS**  trans103.9134.4154.6-64.5179.616300120
144S37.7Very low37.1Very low122 Ų122144.5 Ų144.585%0.85379%0.79SS**  trans83.8138162.676.60000117.8
145Y36.2Very low37.2Very low199 Ų199149.3 Ų149.378%0.7879%0.791SS**  cis-174.8154.5-21.7-168.6-134000104.5
146E37.6Very low37.3Very low144 Ų144155.4 Ų155.467%0.67380%0.796SS**  trans86.897.1161-46.5-146.3137.700122
147H38.4Very low36.9Very low161 Ų161157.8 Ų157.875%0.74580%0.797SS**  30.6118.1120.4-86.8-50.3000121.2
148M37.4Very low36.7Very low194 Ų194161.3 Ų161.396%0.95680%0.803SS**  -135.5113.6129.7-70.2-163.27600109.4
149S34Very low36.9Very low94 Ų94156.8 Ų156.866%0.65779%0.793SS**  trans-88.9139.5172.4-56.90000109.9
150S40.2Very low36.9Very low112 Ų112158.2 Ų158.278%0.78380%0.796SS**  trans-153.794.4152.9640000109.7
151D39Very low36.9Very low142 Ų142158.9 Ų158.976%0.75980%0.801SS**  trans20121.7135.5-50.8-34.9000118.9
152F40.1Very low37.1Very low212 Ų212157.8 Ų157.893%0.9379%0.793SS**  trans-174.393.8132.2-97.4-69.3000108.9
153D36.8Very low36.8Very low165 Ų165162.4 Ų162.488%0.88280%0.803SS**  trans-121.3123.2164.1-91.8-41.1000108.5
154D41.5Very low36.8Very low145 Ų145158.3 Ų158.378%0.77580%0.799SS**  trans-143.297.6164.9-121.2-21.5000111.2
155R39.1Very low36.7Very low217 Ų217161.5 Ų161.582%0.81980%0.798SS**  trans37.5115.6137.7-69.7176.3161.6157-3.1119.9
156R34.4Very low36.7Very low241 Ų241160 Ų16091%0.90980%0.798SS**  -176.9114101.2-106.5176.7-88.4-161.3-6112.9
157E33.8Very low36.5Very low173 Ų173160.6 Ų160.681%0.80880%0.804SS**  trans-69.9143.4157.2-78.6166.3141.100110.6
158F38.7Very low36.1Very low198 Ų198158.1 Ų158.187%0.86881%0.805SS**  trans-145.1113.3149.9-128-89000108.5
159D34.1Very low36Very low124 Ų124158.3 Ų158.366%0.66380%0.801SS**  trans-61.5145.7176.8-64.2-55.8000112.3
160H37Very low36Very low180 Ų180160 Ų16083%0.83381%0.807SS**  trans-160.785.1140.3-86.6-54.5000110.2
161S30.7Very low35.7Very low112 Ų112162 Ų16278%0.78380%0.804SS**  trans-108.496161.261.90000109.7
162S36.7Very low35.4Very low92 Ų92161 Ų16164%0.64380%0.798SS**  trans179.2120157.747.10000109.6
163F35Very low35.3Very low206 Ų206158.5 Ų158.590%0.90479%0.794SS**  trans149.767.5146.6-87.1-75.6000110.2
164A33.4Very low35Very low91 Ų91158.4 Ų158.475%0.75279%0.794SS**  trans-97.1146149.100000107.8
165K36.6Very low34.4Very low190 Ų190154.6 Ų154.683%0.82679%0.789SS**  trans97.698.3177.9-57.4168.8-178.9176.70114.3
166H36.8Very low34.2Very low168 Ų168152.7 Ų152.778%0.77879%0.793SS**  -173.7136.3105.5-116.9-83.1000112.7
167L33.4Very low34Very low155 Ų155148 Ų14881%0.81279%0.786SS**  trans89.591.8153.1-54.8172000120.1
168S29.4Very low33.9Very low109 Ų109147.9 Ų147.976%0.76279%0.785SS**  trans-88.8162139.8-60.80000110.8
169K34.6Very low33.4Very low199 Ų199143.1 Ų143.187%0.86578%0.777SS**  trans89.2126.4-177.2-80.8108172-178.40112.2
170V35.5Very low33.3Very low130 Ų130144.9 Ų144.979%0.78878%0.781SS**  -162.4141.252.4167.60000110.5
171H32.5Very low32.8Very low154 Ų154143.4 Ų143.471%0.71377%0.772SS**  trans29128.4151.5-91.2-94.2000123.6
172D32.8Very low32.9Very low119 Ų119145.1 Ų145.164%0.63677%0.766SS**  23.8125.2119.4-49.2-33.9000118.5
173N37.9Very low32.7Very low161 Ų161147.6 Ų147.686%0.86177%0.767SS**  -173.7139.5111.2-88.3-41.4000112.7
174N31Very low32.9Very low163 Ų163143.8 Ų143.887%0.87275%0.752SS**  trans-59145.4179.4-79.5-45.1000114.5
175G29.8Very low33.2Very low65 Ų65146.7 Ų146.767%0.6775%0.747SS**  71122.6129.100000117.9
176I34.9Very low33.1Very low177 Ų177146.2 Ų146.291%0.90875%0.745SS**  -170.4137.5124-90.6146.9000108.5
177N28.5Very low32.9Very low141 Ų141142.1 Ų142.175%0.75474%0.741SS**  trans-74171.8-177-66.5-55.8000113.6
178Q31.9Very low33.1Very low172 Ų172142.9 Ų142.980%0.80475%0.745SS**  trans95.5111139.1-87.7166.92400119.7
179S28.8Very low33.4Very low98 Ų98142.8 Ų142.869%0.68574%0.739SS**  93.7149.7116.275.60000119.5
180H31.2Very low33.5Very low161 Ų161140 Ų14075%0.74573%0.733SS**  trans82.2140.2165.7-98.1-108.1000117.5
181F27.6Very low33.5Very low149 Ų149139.7 Ų139.765%0.65473%0.727SS**  cis165.5161.5-20.1-137.8-83.2000104.9
182F33.1Very low33.5Very low147 Ų147139.7 Ų139.765%0.64573%0.732SS**  trans77102.8163.8-74.7-75.7000117.5
183E32.7Very low33.5Very low144 Ų144138.6 Ų138.667%0.67374%0.74SS**  83.7121.185.3-91.2-156.4143.300113.7
184H39.2Very low33.5Very low126 Ų126136.3 Ų136.358%0.58373%0.734SS**  173.7135.8101-111.5-37.2000114
185K39.5Very low33.5Very low152 Ų152135.7 Ų135.766%0.66173%0.73SS**  trans68139.3140.8-70.6159.4175.1150.90117.8
186K34.6Very low33.5Very low180 Ų180138.9 Ų138.978%0.78373%0.731SS**  cis-167.9125.76.8-116.6167.2176.6-175.20105.5
187A33.1Very low33.2Very low82 Ų82135.7 Ų135.768%0.67872%0.72SS**  71.8112.5101.600000116.5
188L36.6Very low33.4Very low172 Ų172134.9 Ų134.990%0.90172%0.72SS**  trans173.391135.9-90.4167.1000106.6
189V36.3Very low33.3Very low107 Ų107131.5 Ų131.565%0.64872%0.716SS**  85.2114.967.21720000112.9
190L36.8Very low33.6Very low140 Ų140131.8 Ų131.873%0.73372%0.718SS**  trans75.9132.3160.9-56.3156.4000115.8
191N34.2Very low33.8Very low123 Ų123133 Ų13366%0.65872%0.721SS**  cis-172.2138.410.3-116.3-15.5000109.7
192N33.1Very low34Very low155 Ų155132.7 Ų132.783%0.82973%0.725SS**  trans141.3105.6133.9-69-25.9000112.6
193A32.8Very low34.1Very low96 Ų96133.2 Ų133.279%0.79374%0.735SS**  trans-90.1167.8174.900000111.3
194P36.8Very low34Very low113 Ų113132.2 Ų132.273%0.73474%0.742SS**  trans-100.1-158.2-167.240.2-30.4000112.1
195L32.7Very low33.8Very low150 Ų150131.7 Ų131.779%0.78575%0.752SS**  trans104.9139.5-179.5-55.9158.3000111.1
196D29.1Very low33.7Very low132 Ų132130.6 Ų130.671%0.70676%0.758SS**  cis-163.5166.6-2.9-111.2-21.6000109.4
197T29.3Very low34Very low109 Ų109129 Ų12967%0.66976%0.757SS**  trans-35.9153.8171.847.40000119.8
198T31.5Very low34.2Very low124 Ų124134.6 Ų134.676%0.76177%0.766SS**  trans104.9113146.771.80000119.8
199S30.9Very low33.8Very low102 Ų102132.3 Ų132.371%0.71376%0.763SS**  trans61127.8135.864.20000121.9
200S34.3Very low33.8Very low103 Ų103132.8 Ų132.872%0.7277%0.769SS**  trans85.5107.8140.167.10000119.6
201K34.7Very low33.9Very low188 Ų188132.2 Ų132.282%0.81777%0.771SS**  trans61.9118.5130.3-72.6-178.8178.1-179.40119.2
202L32.8Very low34Very low142 Ų142131.3 Ų131.374%0.74377%0.774SS**  trans74.4105.6135.7-62.7170.4000117.3
203N36.1Very low34.2Very low157 Ų157131.7 Ų131.784%0.8478%0.775SS**  168134.895.9-87.2-29.7000111.9
204C30Very low34.1Very low123 Ų123133.5 Ų133.583%0.83177%0.772SS**  trans-96.1133.9174.3-178.10000108.9
205C34Very low34.1Very low116 Ų116136.5 Ų136.578%0.78478%0.78SS**  trans-170.7111.6151.2-1040000108.2
206T38.6Very low34.2Very low128 Ų128135.7 Ų135.779%0.78578%0.776SS**  168.7137.4122.1420000111
207L40.7Very low34.4Very low148 Ų148134.5 Ų134.578%0.77578%0.778SS**  trans102.185.8159.3-48.3-175.3000118.8
208K36.7Very low34.8Very low198 Ų198135.1 Ų135.186%0.86178%0.784SS**  73.3101.4125.3-80.6166.7171.9173.90119.8
209C28.1Very low34.7Very low125 Ų125136.8 Ų136.885%0.84579%0.788SS**  trans-97.3166.7152.4-64.10000110.7
210P36.3Very low34.5Very low117 Ų117137 Ų13776%0.7679%0.788SS**  trans-119.7116.2133.728.4-15.4000111.5
211T38.3Very low34.5Very low128 Ų128141 Ų14179%0.78580%0.795SS**  29.5127.9129.516.60000117.8
212S38Very low34.6Very low103 Ų103140 Ų14072%0.7280%0.798SS**  179.5156.451.341.70000111.2
213L36.5Very low34.6Very low163 Ų163142.1 Ų142.185%0.85380%0.801SS**  trans123.279.2160-64171.8000115.3
214N31.4Very low34.4Very low135 Ų135140.7 Ų140.772%0.72279%0.794SS**  trans-24.2137.9154-54.5-29000116.7
215I36.3Very low34.6Very low176 Ų176142.1 Ų142.190%0.90379%0.793SS**  -157132.9114.2-83.7144.7000106.9
216D34.3Very low34.8Very low132 Ų132144.1 Ų144.171%0.70680%0.795SS**  trans-87145.2-156.5-67.6-66.6000116.9
217S34.4Very low34.6Very low108 Ų108146.8 Ų146.876%0.75580%0.795SS**  trans78.5151.3132.8-71.50000122.3
218P36.7Very low34.1Very low122 Ų122146.2 Ų146.279%0.79280%0.798SS**  -136.6170.9-58.232.1-11.1000114.3
219L29.4Very low34Very low159 Ų159145.5 Ų145.583%0.83280%0.798SS**  trans-50.9151.3178.7-80.5163.4000118.9
220C27.3Very low34.1Very low105 Ų105149 Ų14971%0.70980%0.798SS**  trans7.6127.2147.564.60000120.6
221E33.1Very low34.2Very low187 Ų187149.5 Ų149.587%0.87480%0.802SS**  trans-156.9158.1145.4-110.4173.3-158.800110.1
222L38.1Very low33.9Very low167 Ų167150.9 Ų150.987%0.87480%0.804SS**  trans95.872.9-179.5-68.5124.4000118.4
223K31.9Very low33.7Very low188 Ų188150.8 Ų150.882%0.81780%0.801SS**  trans-80.7144.2136-99.4176.2176.6175.40109.6
224N32.8Very low33.8Very low127 Ų127149.9 Ų149.968%0.67980%0.798SS**  trans72.9105.8161.2-54.3-17000116.4
225N33.8Very low34.4Very low153 Ų153150.3 Ų150.382%0.81881%0.805SS**  -176.6155.6117-91.4-46.5000110.9
226L38.5Very low34.5Very low158 Ų158150.1 Ų150.183%0.82780%0.798SS**  trans92.280.6163.6-64.9131.5000118.5
227K34.6Very low34.7Very low183 Ų183151.3 Ų151.380%0.79680%0.804SS**  45.9105.5115.1-82.5171.6173.9174.20117.7Q229K227-Q229 PolarHBondContact O-N 2.97Å
228V29.6Very low35Very low137 Ų137153.5 Ų153.583%0.8381%0.806SS**  -10.1108.2127.3-177.40000113.7
229Q35.2Very low35.3Very low182 Ų182153.9 Ų153.985%0.8581%0.806SS**  trans-139.2123.5146-78-169.78.600108.7K227K227-Q229 PolarHBondContact O-N 2.97Å
230K29.2Very low35.7Very low198 Ų198148.6 Ų148.686%0.86178%0.782SS**PPolyproline II helixtrans-74.2135.9171.9-69.5172.3174.6175.60109.2
231P38Very low36.5Very low129 Ų129154.5 Ų154.584%0.83879%0.789SS**PPolyproline II helixtrans-91.6132.7163.115.80.7000111.2
232N33.9Very low37.1Very low156 Ų156155.2 Ų155.283%0.83478%0.784SS**PPolyproline II helixtrans-56.9145.5179.1-148.7-1.4000112.5
233P33.4Very low37.6Very low101 Ų101153.5 Ų153.566%0.65677%0.772SS**PPolyproline II helixtrans-87.1120.3176.831.9-20.9000109.2
234N38.7Very low38.6Very low145 Ų145148.5 Ų148.578%0.77576%0.757SS**  trans167.193.7148.9-90.3-32.5000110.3
235T44Very low39.5Very low144 Ų144145.2 Ų145.288%0.88374%0.744SS**  trans-157.8110.4139.3-5.20000108.6N237T235-N237 PolarHBondContact O-N 3.25Å
236K37.2Very low40.6Very low171 Ų171146.2 Ų146.274%0.74374%0.736SS**  trans-72.3110.8176.7-64.2167.7180172.70107.4
237N40.2Very low41.9Very low158 Ų158142.8 Ų142.885%0.84572%0.722SS**  trans-120.597.1152.8-90.1-29.3000108T235 V239T235-N237 PolarHBondContact O-N 3.25Å; N237-V239 PolarHBondContact O-N 2.81Å
238I39Very low43.2Very low154 Ų154138.9 Ų138.979%0.7971%0.709SS**  trans-80.791.6176.6-65.3165.3000105.5
239V43.7Very low44.8Very low130 Ų130137.3 Ų137.379%0.78869%0.692SS**  trans-133.8111163.2-176.40000108.4N237N237-V239 PolarHBondContact O-N 2.81Å
240S38.3Very low46.4Very low47 Ų47136.2 Ų136.233%0.32968%0.684SS.*  trans49.458.7162-145.20000119.4R242 E243S240-R242 PolarHBondContact O-N 2.83Å; S240-E243 WeakPolarHBondContact CB-OE2 3.08Å; S240-E243 PolarHBondContact O-N 3.47Å; S240-E243 VanDerWaalsContact O-N 3.11Å; S240-E243 VanDerWaalsContact OG-CD 3.23Å; S240-E243 WeakPolarHBondContact OG-CG 3.37Å; S240-E243 PolarHBondContact OG-OE2 3.27Å
241R43Very low48.2Very low229 Ų229130.8 Ų130.886%0.86467%0.668SS**Hα-helixtrans-59.2-7.9163.5-163.3173.8-174.9174.22.2113.8S245R241-S245 PolarHBondContact O-OG 2.76Å
242R46.4Very low49.4Very low203 Ų203129.4 Ų129.477%0.76665%0.653SS**Hα-helixtrans-88-19.8175.5-85.9-178.2177.1155.1-0.5113.8S240 S245 R246S240-R242 PolarHBondContact O-N 2.83Å; R242-S245 PolarHBondContact O-OG 3.44Å; R242-R246 WeakPolarHBondContact O-CG 3.48Å
243E48.8Very low50.6Low131 Ų131129.6 Ų129.661%0.61264%0.642SS**Hα-helixtrans-87.6-37178.3-80.6166.9154.800111.7S240 S245 R246 T247S240-E243 WeakPolarHBondContact CB-OE2 3.08Å; S240-E243 PolarHBondContact O-N 3.47Å; S240-E243 VanDerWaalsContact O-N 3.11Å; S240-E243 VanDerWaalsContact OG-CD 3.23Å; S240-E243 WeakPolarHBondContact OG-CG 3.37Å; S240-E243 PolarHBondContact OG-OE2 3.27Å; E243-S245 PolarHBondContact O-N 3.39Å; E243-R246 PolarHBondContact O-N 3.4Å; E243-T247 PolarHBondContact O-N 3.01Å; E243-T247 PolarHBondContact O-OG1 3.46Å
244T52.9Low52.1Low83 Ų83130.2 Ų130.251%0.50964%0.636SS.*Hα-helixtrans-69.3-31.6177.253.60000113.4T247 I248T244-T247 PolarHBondContact O-OG1 3.03Å; T244-I248 WeakPolarHBondContact O-CD1 3.18Å; T244-I248 VanDerWaalsContact O-CG1 3.31Å; T244-I248 WeakPolarHBondContact O-CG1 3.48Å; T244-I248 PolarHBondContact O-N 3.06Å
245S51.5Low52.9Low57 Ų57125.6 Ų125.640%0.39962%0.618SS.*Hα-helixtrans-69.6-34.417556.20000112.7R241 R242 E243 I248 E249R241-S245 PolarHBondContact O-OG 2.76Å; R242-S245 PolarHBondContact O-OG 3.44Å; E243-S245 PolarHBondContact O-N 3.39Å; S245-I248 PolarHBondContact O-N 3.29Å; S245-E249 PolarHBondContact O-N 3.15Å
246R56.8Low53.2Low174 Ų174123.7 Ų123.766%0.65760%0.603SS**Hα-helixtrans-72.1-32.1177.4-72.8178175.5176.2-1.1112.7R242 E243 K250R242-R246 WeakPolarHBondContact O-CG 3.48Å; E243-R246 PolarHBondContact O-N 3.4Å; R246-K250 PolarHBondContact O-N 2.89Å; R246-K250 VanDerWaalsContact O-N 3.15Å
247T65.2Low54.1Low87 Ų87120.8 Ų120.853%0.53460%0.595SS.*Hα-helixtrans-70.2-40173.20.60000111.7E243 T244 K250 T251E243-T247 PolarHBondContact O-N 3.01Å; E243-T247 PolarHBondContact O-OG1 3.46Å; T244-T247 PolarHBondContact O-OG1 3.03Å; T247-K250 PolarHBondContact O-N 3.43Å; T247-T251 PolarHBondContact O-N 3.01Å; T247-T251 PolarHBondContact O-OG1 3.05Å
248I63.2Low54.5Low101 Ų101120.9 Ų120.952%0.51858%0.584SS.*Hα-helixtrans-66.7-39.6176.5-66.9162.2000111.6T244 S245 T251 L252T244-I248 WeakPolarHBondContact O-CD1 3.18Å; T244-I248 VanDerWaalsContact O-CG1 3.31Å; T244-I248 WeakPolarHBondContact O-CG1 3.48Å; T244-I248 PolarHBondContact O-N 3.06Å; S245-I248 PolarHBondContact O-N 3.29Å; I248-T251 WeakPolarHBondContact CA-OG1 3.43Å; I248-T251 PolarHBondContact O-N 2.99Å; I248-T251 PolarHBondContact O-OG1 3.46Å; I248-L252 HydrophobicContact CG2-CD1 3.92Å; I248-L252 WeakPolarHBondContact O-CB 3.48Å; I248-L252 WeakPolarHBondContact O-CG 3.47Å; I248-L252 PolarHBondContact O-N 3.03Å
249E62.6Low55Low103 Ų103118.7 Ų118.748%0.48158%0.577SS.*Hα-helixtrans-68.7-35.9176.5-119.3-168.1126.400112.7S245 R253S245-E249 PolarHBondContact O-N 3.15Å; E249-R253 WeakPolarHBondContact O-CG 3.17Å; E249-R253 PolarHBondContact O-N 3.47Å; E249-R253 IonicContact OE1-CZ 3.87Å; E249-R253 IonicContact OE1-NE 3.86Å; E249-R253 IonicContact OE1-NH2 2.98Å; E249-R253 PolarHBondContact OE1-NH2 3.29Å
250K68Low55.1Low159 Ų159120.5 Ų120.569%0.69158%0.577SS**Hα-helixtrans-67.6-39.7174.5-83.2-177.2177.2-178.90112R246 T247 Q254R246-K250 PolarHBondContact O-N 2.89Å; R246-K250 VanDerWaalsContact O-N 3.15Å; T247-K250 PolarHBondContact O-N 3.43Å; K250-Q254 WeakPolarHBondContact O-CB 3.48Å; K250-Q254 PolarHBondContact O-N 3.32Å
251T67.3Low55.6Low85 Ų85122.4 Ų122.452%0.52159%0.59SS.*Hα-helixtrans-70.2-35.4176.246.40000112.5T247 I248 Q254 A255T247-T251 PolarHBondContact O-N 3.01Å; T247-T251 PolarHBondContact O-OG1 3.05Å; I248-T251 WeakPolarHBondContact CA-OG1 3.43Å; I248-T251 PolarHBondContact O-N 2.99Å; I248-T251 PolarHBondContact O-OG1 3.46Å; T251-Q254 PolarHBondContact O-N 3.44Å; T251-A255 WeakPolarHBondContact O-CB 3.39Å; T251-A255 PolarHBondContact O-N 2.97Å
252L64.3Low55.5Low99 Ų99117.8 Ų117.852%0.51858%0.58SS.*Hα-helixtrans-66.8-40.5173-82.3162.1000112.9I248 A255 N256I248-L252 HydrophobicContact CG2-CD1 3.92Å; I248-L252 WeakPolarHBondContact O-CB 3.48Å; I248-L252 WeakPolarHBondContact O-CG 3.47Å; I248-L252 PolarHBondContact O-N 3.03Å; L252-A255 PolarHBondContact O-N 3.39Å; L252-N256 PolarHBondContact O-N 3.42Å
253R57.9Low55.1Low160 Ų160117.7 Ų117.760%0.60459%0.586SS**Hα-helixtrans-68.4-36.4174.8-70.6179.1-165.1-125.63.7112.3E249 A255 N256 N257E249-R253 WeakPolarHBondContact O-CG 3.17Å; E249-R253 PolarHBondContact O-N 3.47Å; E249-R253 IonicContact OE1-CZ 3.87Å; E249-R253 IonicContact OE1-NE 3.86Å; E249-R253 IonicContact OE1-NH2 2.98Å; E249-R253 PolarHBondContact OE1-NH2 3.29Å; R253-A255 VanDerWaalsContact C-N 3.33Å; R253-N256 PolarHBondContact O-N 3.44Å; R253-N257 PolarHBondContact O-N 3.48Å
254Q65Low54.5Low115 Ų115117.4 Ų117.454%0.53759%0.587SS.*Hα-helixtrans-72.4-26.5176.4-161.9167.81600112.8K250 T251 R258K250-Q254 WeakPolarHBondContact O-CB 3.48Å; K250-Q254 PolarHBondContact O-N 3.32Å; T251-Q254 PolarHBondContact O-N 3.44Å; Q254-R258 WeakPolarHBondContact O-CG 3.36Å; Q254-R258 PolarHBondContact O-N 3.01Å
255A56.3Low53.6Low48 Ų48122.4 Ų122.440%0.39760%0.604SS.*Hα-helixtrans-72.4-44.7170.300000111.7T251 L252 R253 N257 R258 V259T251-A255 WeakPolarHBondContact O-CB 3.39Å; T251-A255 PolarHBondContact O-N 2.97Å; L252-A255 PolarHBondContact O-N 3.39Å; R253-A255 VanDerWaalsContact C-N 3.33Å; A255-N257 PolarHBondContact O-N 3.21Å; A255-R258 PolarHBondContact O-N 3.41Å; A255-R258 VanDerWaalsContact O-N 3.12Å; A255-V259 WeakPolarHBondContact O-CG2 3.4Å; A255-V259 PolarHBondContact O-N 3.06Å
256N50.5Low53Low104 Ų104125.6 Ų125.656%0.55662%0.621SS**Hα-helixtrans-65.6-38.1178.6-71.7-14.4000112.6L252 R253 R258 V259 E260L252-N256 PolarHBondContact O-N 3.42Å; R253-N256 PolarHBondContact O-N 3.44Å; N256-R258 PolarHBondContact O-N 3.21Å; N256-V259 PolarHBondContact O-N 3.12Å; N256-E260 PolarHBondContact O-N 2.89Å
257N55.1Low52.1Low109 Ų109124.9 Ų124.958%0.58363%0.631SS**Hα-helixtrans-69.2-20.2174.5-69.90000113.3R253 A255 S261R253-N257 PolarHBondContact O-N 3.48Å; A255-N257 PolarHBondContact O-N 3.21Å; N257-S261 PolarHBondContact O-OG 3.08Å
258R49.2Very low51Low161 Ų161125 Ų12561%0.60864%0.641SS**Hα-helixtrans-81.4-30.7174.7-85.9-179.9168.6138-3.5112.6Q254 A255 N256 E260 S261Q254-R258 WeakPolarHBondContact O-CG 3.36Å; Q254-R258 PolarHBondContact O-N 3.01Å; A255-R258 PolarHBondContact O-N 3.41Å; A255-R258 VanDerWaalsContact O-N 3.12Å; N256-R258 PolarHBondContact O-N 3.21Å; R258-E260 VanDerWaalsContact C-N 3.29Å; R258-E260 PolarHBondContact O-N 2.84Å; R258-S261 WeakPolarHBondContact CA-OG 3.48Å; R258-S261 PolarHBondContact O-N 3.45Å; R258-S261 PolarHBondContact O-OG 3.4Å
259V49.3Very low49.8Very low108 Ų108126.1 Ų126.166%0.65565%0.654SS**Hα-helixtrans-67.2-31.6174.8179.50000111.3A255 N256 S261A255-V259 WeakPolarHBondContact O-CG2 3.4Å; A255-V259 PolarHBondContact O-N 3.06Å; N256-V259 PolarHBondContact O-N 3.12Å; V259-S261 VanDerWaalsContact C-N 3.29Å; V259-S261 PolarHBondContact O-N 2.84Å
260E46Very low48.6Very low167 Ų167127.5 Ų127.578%0.7867%0.665SS**THydrogen-bonded Turntrans-74.6-13.8173.8-75.2-177155.900114.3N256 R258N256-E260 PolarHBondContact O-N 2.89Å; R258-E260 VanDerWaalsContact C-N 3.29Å; R258-E260 PolarHBondContact O-N 2.84Å
261S48.3Very low47.3Very low87 Ų87125.7 Ų125.761%0.60867%0.669SS**THydrogen-bonded Turntrans-101-3.4-178.555.30000115.3N257 R258 V259 K263N257-S261 PolarHBondContact O-OG 3.08Å; R258-S261 WeakPolarHBondContact CA-OG 3.48Å; R258-S261 PolarHBondContact O-N 3.45Å; R258-S261 PolarHBondContact O-OG 3.4Å; V259-S261 VanDerWaalsContact C-N 3.29Å; V259-S261 PolarHBondContact O-N 2.84Å; S261-K263 PolarHBondContact O-N 3.03Å
262M41.4Very low46.2Very low133 Ų133129.2 Ų129.266%0.65568%0.684SS**  trans-92.278.3173.4-73.5-178.652.300110.6I264M262-I264 HydrophobicContact CE-CD1 4.05Å; M262-I264 HydrophobicContact CE-CG1 4.31Å; M262-I264 PolarHBondContact O-N 3.33Å
263K37.4Very low45.1Very low201 Ų201131.5 Ų131.587%0.87469%0.694SS**  trans-67.490.4157.9-78.4179.2178.1-179.60107.8S261 E265S261-K263 PolarHBondContact O-N 3.03Å; K263-E265 PolarHBondContact O-N 2.83Å
264I36.3Very low44.1Very low125 Ų125135 Ų13564%0.64171%0.707SS**  trans-74.6114.3162.8-60.4178000105.5M262 V266M262-I264 HydrophobicContact CE-CD1 4.05Å; M262-I264 HydrophobicContact CE-CG1 4.31Å; M262-I264 PolarHBondContact O-N 3.33Å; I264-V266 VanDerWaalsContact C-N 3.34Å; I264-V266 PolarHBondContact O-N 3.03Å
265E34.3Very low42.9Very low187 Ų187135.9 Ų135.987%0.87472%0.716SS**  trans-61.696.8170-70.1-179.1163.400108.4K263K263-E265 PolarHBondContact O-N 2.83Å
266V38.1Very low42.2Very low125 Ų125140.9 Ų140.976%0.75874%0.735SS**  trans-79.5116.8164.6-178.10000105.4I264 A268I264-V266 VanDerWaalsContact C-N 3.34Å; I264-V266 PolarHBondContact O-N 3.03Å; V266-A268 PolarHBondContact O-N 2.92Å
267N38.5Very low41.8Very low159 Ų159144.7 Ų144.785%0.8575%0.747SS**  trans-44.1117.1173.4-76.5-34.9000109.3
268A41.1Very low41.2Very low90 Ų90144 Ų14474%0.74475%0.751SS**  trans-57.3138-179.400000109.8V266V266-A268 PolarHBondContact O-N 2.92Å
269P39.4Very low41.4Very low123 Ų123142.4 Ų142.480%0.79976%0.764SS**  trans-66.7143.617229-30.9000109.4
270D36.9Very low41.5Very low133 Ų133144.4 Ų144.471%0.71177%0.766SS**  trans-44131.5-178.5-116.3-34.8000112.9L272D270-L272 PolarHBondContact O-N 2.67Å
271P40.4Very low42.1Very low121 Ų121139.7 Ų139.779%0.78675%0.746SS**THydrogen-bonded Turntrans-74.821.4-173.829.4-33000114.8
272L45.1Very low42.9Very low158 Ų158140.3 Ų140.383%0.82775%0.746SS**THydrogen-bonded Turntrans-109.42.4-179.6-65.7-179.7000114.6D270D270-L272 PolarHBondContact O-N 2.67Å
273M41Very low44.3Very low147 Ų147137.3 Ų137.372%0.72474%0.742SS**  trans-100.594.9170.1-71.9-82.9-75.500109.4D275M273-D275 PolarHBondContact O-N 3.11Å; M273-D275 VanDerWaalsContact O-N 3.14Å
274R37.5Very low45.9Very low234 Ų234130.6 Ų130.688%0.88372%0.72SS**  trans-73.3100.5169.2-65.3-175.4-171-124.91.5108D276R274-D276 PolarHBondContact O-N 3.26Å
275D38.8Very low47.7Very low134 Ų134131.6 Ų131.672%0.71772%0.716SS**  trans-69104.7169.7-71.2-42.9000109.9M273 F277M273-D275 PolarHBondContact O-N 3.11Å; M273-D275 VanDerWaalsContact O-N 3.14Å; D275-F277 PolarHBondContact O-N 3Å; D275-F277 VanDerWaalsContact O-N 3.07Å
276D41.6Very low49.8Very low152 Ų152127.1 Ų127.181%0.81370%0.701SS**  trans-75.127.2169.3-80.5-27000112.9R274R274-D276 PolarHBondContact O-N 3.26Å
277F42.4Very low51.6Low184 Ų184128.9 Ų128.981%0.80770%0.699SS**  trans-120.480175.1-71.3-78.8000110.3D275 S279D275-F277 PolarHBondContact O-N 3Å; D275-F277 VanDerWaalsContact O-N 3.07Å; F277-S279 PolarHBondContact O-N 2.98Å; F277-S279 VanDerWaalsContact O-N 3.13Å
278C41.7Very low53.4Low96 Ų96123.9 Ų123.965%0.64968%0.679SS**  trans-63.2114.1165.2-162.40000108.2H280C278-H280 PolarHBondContact O-N 3.35Å; C278-H280 WeakPolarHBondContact SG-CB 3.47Å
279S53Low55Low126 Ų126124.1 Ų124.188%0.88166%0.664SS**THydrogen-bonded Turntrans-62.88.2174.656.80000114.1F277F277-S279 PolarHBondContact O-N 2.98Å; F277-S279 VanDerWaalsContact O-N 3.13Å
280H52.9Low56.9Low151 Ų151125.8 Ų125.870%0.69966%0.658SS**THydrogen-bonded Turntrans-93.55.1-173.4-154.6-75000114.1C278C278-H280 PolarHBondContact O-N 3.35Å; C278-H280 WeakPolarHBondContact SG-CB 3.47Å
281D57.7Low58.7Low67 Ų67122.4 Ų122.436%0.35865%0.649SS.*SBendtrans-119.2-14.4-162-16232000116S284 R285D281-S284 PolarHBondContact O-N 3.46Å; D281-R285 VanDerWaalsContact CG-NE 3.34Å; D281-R285 WeakPolarHBondContact O-CB 3.34Å; D281-R285 WeakPolarHBondContact O-CG 3.34Å; D281-R285 PolarHBondContact O-N 3.2Å; D281-R285 IonicContact OD1-NE 3.18Å; D281-R285 IonicContact OD2-CZ 3.9Å; D281-R285 IonicContact OD2-NE 3.8Å; D281-R285 PolarHBondContact OD2-NE 3.01Å; D281-R285 IonicContact OD2-NH2 2.79Å; D281-R285 PolarHBondContact OD2-NH2 3.07Å
282V65Low60.6Low101 Ų101122.1 Ų122.161%0.61264%0.64SS**Hα-helixtrans-66.9-44.4178.9-173.90000111.2S284 R285 V286V282-S284 VanDerWaalsContact C-N 3.34Å; V282-S284 PolarHBondContact O-N 3.49Å; V282-R285 PolarHBondContact O-N 2.99Å; V282-V286 VanDerWaalsContact O-CG2 3.29Å; V282-V286 WeakPolarHBondContact O-CG2 3.18Å; V282-V286 PolarHBondContact O-N 3.36Å
283A71.6Confident62.2Low69 Ų69119.9 Ų119.957%0.5763%0.627SS**Hα-helixtrans-68-34178.500000112.8K287A283-K287 WeakPolarHBondContact O-CB 3.31Å; A283-K287 WeakPolarHBondContact O-CG 3.42Å; A283-K287 PolarHBondContact O-N 3.2Å
284S71.6Confident63.8Low60 Ų60120.1 Ų120.142%0.4262%0.624SS.*Hα-helixtrans-67.7-44.8174.8-65.30000111.3D281 V282 K287 A288D281-S284 PolarHBondContact O-N 3.46Å; V282-S284 VanDerWaalsContact C-N 3.34Å; V282-S284 PolarHBondContact O-N 3.49Å; S284-K287 PolarHBondContact O-N 3.22Å; S284-A288 WeakPolarHBondContact O-CB 3.47Å; S284-A288 PolarHBondContact O-N 2.77Å
285R73.2Confident64.8Low146 Ų146112.1 Ų112.155%0.55160%0.604SS**Hα-helixtrans-61.9-44174.7-76.9-176.2-115.3168-4.1112.4D281 V282 K287 A288 F289D281-R285 VanDerWaalsContact CG-NE 3.34Å; D281-R285 WeakPolarHBondContact O-CB 3.34Å; D281-R285 WeakPolarHBondContact O-CG 3.34Å; D281-R285 PolarHBondContact O-N 3.2Å; D281-R285 IonicContact OD1-NE 3.18Å; D281-R285 IonicContact OD2-CZ 3.9Å; D281-R285 IonicContact OD2-NE 3.8Å; D281-R285 PolarHBondContact OD2-NE 3.01Å; D281-R285 IonicContact OD2-NH2 2.79Å; D281-R285 PolarHBondContact OD2-NH2 3.07Å; V282-R285 PolarHBondContact O-N 2.99Å; R285-K287 VanDerWaalsContact C-N 3.34Å; R285-K287 PolarHBondContact O-N 3.14Å; R285-A288 PolarHBondContact O-N 2.9Å; R285-F289 WeakPolarHBondContact O-CB 3.38Å; R285-F289 PolarHBondContact O-N 2.9Å
286V77.7Confident65.7Low94 Ų94113.1 Ų113.157%0.5760%0.604SS**Hα-helixtrans-64-38.4176.7173.10000111.5V282 K290V282-V286 VanDerWaalsContact O-CG2 3.29Å; V282-V286 WeakPolarHBondContact O-CG2 3.18Å; V282-V286 PolarHBondContact O-N 3.36Å; V286-K290 WeakPolarHBondContact O-CB 3.38Å; V286-K290 PolarHBondContact O-N 3.07Å
287K76.2Confident66.2Low162 Ų162113.5 Ų113.570%0.70460%0.601SS**Hα-helixtrans-67.1-43174.6-83.8179.8178.9176.20112.5A283 S284 R285 F289 K290 A291A283-K287 WeakPolarHBondContact O-CB 3.31Å; A283-K287 WeakPolarHBondContact O-CG 3.42Å; A283-K287 PolarHBondContact O-N 3.2Å; S284-K287 PolarHBondContact O-N 3.22Å; R285-K287 VanDerWaalsContact C-N 3.34Å; R285-K287 PolarHBondContact O-N 3.14Å; K287-F289 VanDerWaalsContact C-N 3.34Å; K287-K290 PolarHBondContact O-N 3.1Å; K287-A291 WeakPolarHBondContact O-CB 3.45Å; K287-A291 PolarHBondContact O-N 3.2Å
288A76.1Confident66.6Low53 Ų53111.9 Ų111.944%0.43860%0.6SS.*Hα-helixtrans-62.4-43.1175.800000111S284 R285 K290 A291 L292S284-A288 WeakPolarHBondContact O-CB 3.47Å; S284-A288 PolarHBondContact O-N 2.77Å; R285-A288 PolarHBondContact O-N 2.9Å; A288-K290 PolarHBondContact O-N 2.81Å; A288-A291 WeakPolarHBondContact O-CB 3.5Å; A288-A291 PolarHBondContact O-N 3.08Å; A288-L292 WeakPolarHBondContact O-CG 3.05Å; A288-L292 PolarHBondContact O-N 3.47Å
289F75Confident66.8Low95 Ų95116.1 Ų116.142%0.41761%0.61SS.*Hα-helixtrans-64.5-41.5177.3-155.4-91.6000112.1Y54 R285 K287 A291 L292 M293Y54-F289 HydrophobicContact CE2-CZ 4.3Å; Y54-F289 WeakPolarHBondContact OH-CZ 3.31Å; R285-F289 WeakPolarHBondContact O-CB 3.38Å; R285-F289 PolarHBondContact O-N 2.9Å; K287-F289 VanDerWaalsContact C-N 3.34Å; F289-A291 VanDerWaalsContact C-N 3.29Å; F289-A291 PolarHBondContact O-N 2.86Å; F289-L292 PolarHBondContact O-N 2.77Å; F289-M293 HydrophobicContact CD1-CG 4.09Å; F289-M293 HydrophobicContact CE1-CG 3.98Å; F289-M293 HydrophobicContact CE1-SD 4.26Å; F289-M293 WeakPolarHBondContact O-CG 3.22Å; F289-M293 PolarHBondContact O-N 3.35Å
290K79Confident66.2Low159 Ų159114.5 Ų114.569%0.69160%0.599SS**Hα-helixtrans-66.1-29.7174.6-168.6169.3-174.1169.40112.9V286 K287 A288 K294V286-K290 WeakPolarHBondContact O-CB 3.38Å; V286-K290 PolarHBondContact O-N 3.07Å; K287-K290 PolarHBondContact O-N 3.1Å; A288-K290 PolarHBondContact O-N 2.81Å; K290-K294 WeakPolarHBondContact O-CB 3.3Å; K290-K294 PolarHBondContact O-N 3.28Å
291A76.5Confident65.7Low61 Ų61114.8 Ų114.850%0.50460%0.604SS.*Hα-helixtrans-72.1-41.5174.400000111.6K287 A288 F289 K294 S295K287-A291 WeakPolarHBondContact O-CB 3.45Å; K287-A291 PolarHBondContact O-N 3.2Å; A288-A291 WeakPolarHBondContact O-CB 3.5Å; A288-A291 PolarHBondContact O-N 3.08Å; F289-A291 VanDerWaalsContact C-N 3.29Å; F289-A291 PolarHBondContact O-N 2.86Å; A291-K294 PolarHBondContact O-N 3.39Å; A291-S295 PolarHBondContact O-N 2.85Å; A291-S295 PolarHBondContact O-OG 2.93Å
292L78.4Confident64.7Low115 Ų115118.9 Ų118.960%0.60263%0.626SS**Hα-helixtrans-66.6-41.2178.6-68.9172.1000112.7A288 F289 K294 S295A288-L292 WeakPolarHBondContact O-CG 3.05Å; A288-L292 PolarHBondContact O-N 3.47Å; F289-L292 PolarHBondContact O-N 2.77Å; L292-K294 PolarHBondContact O-N 3.35Å; L292-S295 PolarHBondContact O-N 3.13Å; L292-S295 PolarHBondContact O-OG 2.98Å
293M79Confident63.8Low112 Ų112123.2 Ų123.255%0.55264%0.639SS**Hα-helixtrans-67.6-21.4174.9-65-62.8-64.900113F289F289-M293 HydrophobicContact CD1-CG 4.09Å; F289-M293 HydrophobicContact CE1-CG 3.98Å; F289-M293 HydrophobicContact CE1-SD 4.26Å; F289-M293 WeakPolarHBondContact O-CG 3.22Å; F289-M293 PolarHBondContact O-N 3.35Å
294K74.5Confident62.2Low152 Ų152128 Ų12866%0.66166%0.656SS**Hα-helixtrans-89.7-17.4179.8-158.3171.5-174.2-177.60112.9K290 A291 L292K290-K294 WeakPolarHBondContact O-CB 3.3Å; K290-K294 PolarHBondContact O-N 3.28Å; A291-K294 PolarHBondContact O-N 3.39Å; L292-K294 PolarHBondContact O-N 3.35Å
295S60Low60.7Low66 Ų66130.2 Ų130.246%0.46267%0.671SS.*Hα-helixtrans-80.3-22.1175.141.80000113.9A291 L292 E297A291-S295 PolarHBondContact O-N 2.85Å; A291-S295 PolarHBondContact O-OG 2.93Å; L292-S295 PolarHBondContact O-N 3.13Å; L292-S295 PolarHBondContact O-OG 2.98Å; S295-E297 VanDerWaalsContact C-N 3.32Å; S295-E297 PolarHBondContact O-N 3.03Å
296E56.9Low59.2Low155 Ų155132 Ų13272%0.72469%0.685SS**G310 helixtrans-76.7-11178.8-84-178.7156.200114.5
297E52.8Low57.4Low159 Ų159133.7 Ų133.774%0.74370%0.696SS**G310 helixtrans-85.10177.8-79.7-176.7155.300114.6S295S295-E297 VanDerWaalsContact C-N 3.32Å; S295-E297 PolarHBondContact O-N 3.03Å
298L49.5Very low56Low151 Ų151136.1 Ų136.179%0.79171%0.707SS**G310 helixtrans-121.913.1-173.4-75.6170.7000116
299E47.1Very low54.6Low184 Ų184138 Ų13886%0.8672%0.717SS**  trans-100.816.3177.5-71.1-168.1166.100115.4
300S39.3Very low53.2Low92 Ų92141.5 Ų141.564%0.64374%0.738SS**  trans-103.9124.2162.466.70000109.2
301I42.3Very low51.5Low157 Ų157142.6 Ų142.681%0.80574%0.743SS**  trans12090.4177.4-61.6152.5000109.3
302D37.3Very low50Low153 Ų153148.7 Ų148.782%0.81876%0.758SS**  trans175.270.3140.5-86.4-15.8000110.1
303Q46Very low48.2Very low193 Ų193149.7 Ų149.790%0.90277%0.768SS**  trans-139.371.8159.9-71-170.70.100108.4
304N38.5Very low46.5Very low170 Ų170150.3 Ų150.391%0.90978%0.779SS**  trans-139.873174.2-93.4-19.3000109.8
305S39.9Very low44.9Very low106 Ų106150.2 Ų150.274%0.74179%0.786SS**  trans-165.3132.7155.9540000108.1
306E41.6Very low44.1Very low182 Ų182153.6 Ų153.685%0.8579%0.794SS**SBendtrans82.983.8-176.7-49.8174.8-179.200111.9
307T39.6Very low43.7Very low131 Ų131156.4 Ų156.480%0.80480%0.798SS**  -165104.280.431.30000109.9S309T307-S309 PolarHBondContact O-N 2.79Å
308K46.1Very low43.4Very low213 Ų213158.2 Ų158.293%0.92680%0.803SS**  trans-76.393.4165.6-83.5174.9175.1169.30109.2
309S47.5Very low43.4Very low93 Ų93159.2 Ų159.265%0.6581%0.808SS**  trans161.2102.5154.846.70000105.6T307T307-S309 PolarHBondContact O-N 2.79Å
310I45.4Very low43.4Very low168 Ų168155 Ų15586%0.86280%0.796SS**  -156.2116.595.2-80.2139.1000106.5
311K44.2Very low43.3Very low182 Ų182158.9 Ų158.979%0.79181%0.81SS**  trans-84.3153.8174.1-65.6173.8172.1171.40109.2
312K44Very low43.6Very low189 Ų189157.4 Ų157.482%0.82281%0.808SS**  trans78.2127.1163.5-49.8172.2177.3-179.20111.3
313V41.7Very low43.8Very low135 Ų135155.5 Ų155.582%0.81880%0.804SS**  cis-154.4135.938.3168.70000108
314T42.7Very low43.3Very low125 Ų125155.6 Ų155.677%0.76780%0.797SS**  trans-65.5128.716442.60000111.1
315D40.3Very low43.6Very low151 Ų151155.7 Ų155.781%0.80779%0.792SS**  trans-171.7109.9132.8-114.2-23.3000111.8
316E44.2Very low43.9Very low136 Ų136156 Ų15664%0.63678%0.782SS**  trans31.6120.3130.2-68.4-9212800120.1
317R48.6Very low44Very low214 Ų214154.1 Ų154.181%0.80878%0.778SS**  trans86.794.8146.3-56165.5-148.3168.110.6118.9
318K45.9Very low44.4Very low197 Ų197154.8 Ų154.886%0.85777%0.771SS**  163.5100.2117.5-93.5174.9178.1-178.60108P320K318-P320 WeakPolarHBondContact O-CD 3.35Å
319I48.6Very low44.5Very low172 Ų172152 Ų15288%0.88277%0.765SS**  trans-81.3117167.3-59.7172.2000106.4
320P47.7Very low44.1Very low95 Ų95150.6 Ų150.662%0.61777%0.765SS**  trans-78.3149.4169.4217.3000109.6K318 V322K318-P320 WeakPolarHBondContact O-CD 3.35Å; P320-V322 PolarHBondContact O-N 2.84Å
321D38Very low44.2Very low175 Ų175150.6 Ų150.694%0.93677%0.766SS**  trans-55.1114.1173.3-63.6-52.4000111.1
322V47Very low44.1Very low125 Ų125153 Ų15376%0.75877%0.77SS**  trans-119.3131.1172.3-176.90000108.9P320P320-V322 PolarHBondContact O-N 2.84Å
323P41.5Very low44.1Very low114 Ų114155.5 Ų155.574%0.7477%0.774SS**  trans-74.1148.5-165.2-8.325.5000112.5Q325P323-Q325 PolarHBondContact O-N 2.84Å
324Y36.4Very low44.3Very low195 Ų195154.4 Ų154.477%0.76577%0.773SS**  trans-46105.1171-178.5-100.8000111.8E326Y324-E326 HydrophobicContact CD1-CB 4.23Å; Y324-E326 HydrophobicContact CE1-CB 3.81Å; Y324-E326 HydrophobicContact CE1-CG 3.73Å; Y324-E326 PolarHBondContact O-N 2.98Å
325Q45.5Very low45Very low171 Ų171157.9 Ų157.980%0.79978%0.777SS**  trans-85.7106.3165-81.8-176.5-29.100108.4P323 N327P323-Q325 PolarHBondContact O-N 2.84Å; Q325-N327 PolarHBondContact O-N 3.45Å; Q325-N327 VanDerWaalsContact O-N 3.11Å
326E44.7Very low45.3Very low114 Ų114157 Ų15753%0.53378%0.778SS.*  trans-67.7102.3172.6-152.6167.4-14000108.2Y324 H328Y324-E326 HydrophobicContact CD1-CB 4.23Å; Y324-E326 HydrophobicContact CE1-CB 3.81Å; Y324-E326 HydrophobicContact CE1-CG 3.73Å; Y324-E326 PolarHBondContact O-N 2.98Å; E326-H328 VanDerWaalsContact CD-NE2 3.28Å; E326-H328 WeakPolarHBondContact CG-NE2 3.5Å; E326-H328 PolarHBondContact O-CD2 3.06Å; E326-H328 PolarHBondContact O-N 3.44Å; E326-H328 IonicContact OE2-CD2 2.81Å; E326-H328 IonicContact OE2-CE1 2.74Å; E326-H328 PolarHBondContact OE2-CE1 3.42Å; E326-H328 IonicContact OE2-NE2 3.18Å; E326-H328 PolarHBondContact OE2-NE2 2.77Å
327N44.5Very low45.5Very low142 Ų142155.1 Ų155.176%0.75977%0.767SS**  trans-68.480.6171.8-72.1-30.8000109.1Q325 I329Q325-N327 PolarHBondContact O-N 3.45Å; Q325-N327 VanDerWaalsContact O-N 3.11Å; N327-I329 PolarHBondContact O-N 3.3Å
328H48.8Very low45.6Very low144 Ų144147 Ų14767%0.66774%0.744SS**  trans-67.585.2162.9-70.8-72.7000107.8E326 G330E326-H328 VanDerWaalsContact CD-NE2 3.28Å; E326-H328 WeakPolarHBondContact CG-NE2 3.5Å; E326-H328 PolarHBondContact O-CD2 3.06Å; E326-H328 PolarHBondContact O-N 3.44Å; E326-H328 IonicContact OE2-CD2 2.81Å; E326-H328 IonicContact OE2-CE1 2.74Å; E326-H328 PolarHBondContact OE2-CE1 3.42Å; E326-H328 IonicContact OE2-NE2 3.18Å; E326-H328 PolarHBondContact OE2-NE2 2.77Å; H328-G330 VanDerWaalsContact C-N 3.32Å; H328-G330 PolarHBondContact O-N 3.42Å
329I47.8Very low46.3Very low156 Ų156140.4 Ų140.480%0.873%0.732SS**  trans-57105.7161.8-63.9167.8000105.2N327 L331N327-I329 PolarHBondContact O-N 3.3Å; I329-L331 VanDerWaalsContact C-N 3.35Å; I329-L331 PolarHBondContact O-N 3.46Å
330G38.1Very low46.9Very low63 Ų63139.5 Ų139.565%0.64972%0.724SS**  trans-62.190.4-169.200000112H328 R332H328-G330 VanDerWaalsContact C-N 3.32Å; H328-G330 PolarHBondContact O-N 3.42Å; G330-R332 PolarHBondContact O-N 2.74Å
331L48.5Very low47.5Very low167 Ų167139.7 Ų139.787%0.87472%0.716SS**  trans-63.388.6150.8-11977.5000105.9I329 R333I329-L331 VanDerWaalsContact C-N 3.35Å; I329-L331 PolarHBondContact O-N 3.46Å; L331-R333 VanDerWaalsContact C-N 3.29Å; L331-R333 PolarHBondContact O-N 2.81Å
332R41.4Very low48.3Very low233 Ų233137.6 Ų137.688%0.87970%0.702SS**  trans-55.1101.4166-84.6-163177.8-136.82.6106.6G330 S334G330-R332 PolarHBondContact O-N 2.74Å; R332-S334 VanDerWaalsContact C-N 3.3Å; R332-S334 PolarHBondContact O-N 3.3Å
333R44.1Very low49.1Very low241 Ų241134.3 Ų134.391%0.90969%0.685SS**  trans-47.9100.1162.3-86.1175.2157.5149.3-5.4106.7L331 K335L331-R333 VanDerWaalsContact C-N 3.29Å; L331-R333 PolarHBondContact O-N 2.81Å; R333-K335 PolarHBondContact O-N 3.47Å; R333-K335 VanDerWaalsContact O-N 3.11Å
334S47.1Very low50Low113 Ų113137.9 Ų137.979%0.7968%0.684SS**  trans-58.8120.1173.6-70.70000106.6R332 T336R332-S334 VanDerWaalsContact C-N 3.3Å; R332-S334 PolarHBondContact O-N 3.3Å; S334-T336 PolarHBondContact O-N 2.93Å
335K56.4Low51.2Low198 Ų198136 Ų13686%0.86168%0.675SS**  trans-46.4113.6-179.6-67.7172.6177.1179.20109.3R333 F337R333-K335 PolarHBondContact O-N 3.47Å; R333-K335 VanDerWaalsContact O-N 3.11Å; K335-F337 PolarHBondContact O-N 3.32Å
336T46.6Very low51.8Low132 Ų132134.3 Ų134.381%0.8166%0.663SS**  trans21.192.4157.956.80000115.6S334 S338S334-T336 PolarHBondContact O-N 2.93Å; T336-S338 PolarHBondContact O-N 3.42Å
337F48.6Very low52.5Low96 Ų96134 Ų13442%0.42166%0.661SS.*  trans-59.9108150.8-169.2-102000105.8K335 G339 Q341K335-F337 PolarHBondContact O-N 3.32Å; F337-G339 PolarHBondContact O-N 2.86Å; F337-Q341 HydrophobicContact CD1-CB 4.49Å; F337-Q341 HydrophobicContact CE1-CB 3.76Å; F337-Q341 HydrophobicContact CZ-CB 4Å
338S51Low53.1Low44 Ų44135 Ų13531%0.30866%0.661SS.*  trans-43.3121.5-173.452.20000110.9T336 E340 Q341T336-S338 PolarHBondContact O-N 3.42Å; S338-E340 PolarHBondContact O-N 3.25Å; S338-Q341 PolarHBondContact O-N 3.31Å; S338-Q341 WeakPolarHBondContact OG-CG 3.3Å
339G59.6Low53.7Low59 Ų59135.9 Ų135.961%0.60866%0.66SS**Hα-helixtrans-54.6-20.4-178.100000113.9F337 M342 S343F337-G339 PolarHBondContact O-N 2.86Å; G339-M342 PolarHBondContact O-N 3.47Å; G339-S343 PolarHBondContact O-N 2.98Å; G339-S343 VanDerWaalsContact O-N 3.08Å
340E61Low54.8Low152 Ų152129.5 Ų129.571%0.7163%0.627SS**Hα-helixtrans-65-38.8174.4-66.8177.1161.800113.6S338 M342 S343 R344S338-E340 PolarHBondContact O-N 3.25Å; E340-M342 VanDerWaalsContact C-N 3.32Å; E340-M342 PolarHBondContact O-N 2.73Å; E340-S343 PolarHBondContact O-N 3.47Å; E340-R344 PolarHBondContact O-N 2.89Å; E340-R344 VanDerWaalsContact O-N 3.1Å
341Q60.5Low57.1Low100 Ų100129 Ų12947%0.46761%0.61SS.*Hα-helixtrans-72-30179.6-70.7-176.71200111.9F337 S338 R345F337-Q341 HydrophobicContact CD1-CB 4.49Å; F337-Q341 HydrophobicContact CE1-CB 3.76Å; F337-Q341 HydrophobicContact CZ-CB 4Å; S338-Q341 PolarHBondContact O-N 3.31Å; S338-Q341 WeakPolarHBondContact OG-CG 3.3Å; Q341-R345 PolarHBondContact O-N 3.36Å
342M55.7Low59.1Low130 Ų130126.4 Ų126.464%0.6460%0.596SS**Hα-helixtrans-73.6-39.5174.9-156.2167.1-17100111G339 E340 R345 Y346G339-M342 PolarHBondContact O-N 3.47Å; E340-M342 VanDerWaalsContact C-N 3.32Å; E340-M342 PolarHBondContact O-N 2.73Å; M342-R345 PolarHBondContact O-N 3.47Å; M342-Y346 WeakPolarHBondContact O-CB 3.46Å; M342-Y346 PolarHBondContact O-N 2.93Å
343S62.4Low61.6Low56 Ų56115.5 Ų115.539%0.39256%0.555SS.*Hα-helixtrans-62-45.8176.2-171.70000112.4G339 E340 R345 Y346 Q347G339-S343 PolarHBondContact O-N 2.98Å; G339-S343 VanDerWaalsContact O-N 3.08Å; E340-S343 PolarHBondContact O-N 3.47Å; S343-R345 PolarHBondContact O-N 2.82Å; S343-Y346 PolarHBondContact O-N 3.3Å; S343-Q347 WeakPolarHBondContact O-CB 3.46Å; S343-Q347 VanDerWaalsContact O-CD 3.3Å; S343-Q347 WeakPolarHBondContact O-CG 3.46Å; S343-Q347 PolarHBondContact O-N 2.88Å; S343-Q347 PolarHBondContact O-OE1 2.98Å; S343-Q347 PolarHBondContact OG-NE2 2.74Å
344R62.2Low63.9Low189 Ų189109.4 Ų109.471%0.71354%0.535SS*.Hα-helixtrans-64.1-40.1178.5-70.7-171.3-176.8-156.32.7113E340 Q347 Q348E340-R344 PolarHBondContact O-N 2.89Å; E340-R344 VanDerWaalsContact O-N 3.1Å; R344-Q347 PolarHBondContact O-N 3.08Å; R344-Q348 PolarHBondContact O-N 2.89Å
345R59.8Low66Low155 Ų155108.1 Ų108.159%0.58552%0.519SS*.Hα-helixtrans-68.9-35.8177.5-78.3-174.8176.3154.32.2112.7Q341 M342 S343Q341-R345 PolarHBondContact O-N 3.36Å; M342-R345 PolarHBondContact O-N 3.47Å; S343-R345 PolarHBondContact O-N 2.82Å
346Y59.2Low67.8Low137 Ų137101.1 Ų101.154%0.53750%0.495SS..Hα-helixtrans-73.5-35.7177-150.1-97.1000111.5M342 S343 Q348 Y349 M350M342-Y346 WeakPolarHBondContact O-CB 3.46Å; M342-Y346 PolarHBondContact O-N 2.93Å; S343-Y346 PolarHBondContact O-N 3.3Å; Y346-Q348 VanDerWaalsContact C-N 3.29Å; Y346-Q348 PolarHBondContact O-N 3.38Å; Y346-Y349 PolarHBondContact O-N 2.79Å; Y346-M350 HydrophobicContact CD1-CE 3.91Å; Y346-M350 HydrophobicContact CD1-CG 4.37Å; Y346-M350 HydrophobicContact CD1-SD 4.12Å; Y346-M350 HydrophobicContact CE1-CE 3.55Å; Y346-M350 HydrophobicContact CE1-SD 3.79Å; Y346-M350 VanDerWaalsContact O-CG 3.29Å; Y346-M350 WeakPolarHBondContact O-CG 3.34Å
347Q59.5Low69.9Low107 Ų10797.1 Ų97.150%0.548%0.48SS..Hα-helixtrans-64.6-30.7177.8-76.4162.1-11.800113.5S343 R344 Y349S343-Q347 WeakPolarHBondContact O-CB 3.46Å; S343-Q347 VanDerWaalsContact O-CD 3.3Å; S343-Q347 WeakPolarHBondContact O-CG 3.46Å; S343-Q347 PolarHBondContact O-N 2.88Å; S343-Q347 PolarHBondContact O-OE1 2.98Å; S343-Q347 PolarHBondContact OG-NE2 2.74Å; R344-Q347 PolarHBondContact O-N 3.08Å; Q347-Y349 PolarHBondContact O-N 3.26Å
348Q57.4Low72Confident163 Ų16399.4 Ų99.476%0.76249%0.49SS*.THydrogen-bonded Turntrans-66.8-16.2178.8-81.7-179.8-40.600114.3R344 Y346R344-Q348 PolarHBondContact O-N 2.89Å; Y346-Q348 VanDerWaalsContact C-N 3.29Å; Y346-Q348 PolarHBondContact O-N 3.38Å
349Y61.2Low73.9Confident162 Ų162104.8 Ų104.864%0.63550%0.503SS*.THydrogen-bonded Turntrans-11312.5-175.7-128.5-92.4000114.3Y346 Q347 D351Y346-Y349 PolarHBondContact O-N 2.79Å; Q347-Y349 PolarHBondContact O-N 3.26Å; Y349-D351 PolarHBondContact O-N 2.87Å
350M70.6Confident75.5Confident22 Ų22102.1 Ų102.111%0.10848%0.475CS..  trans-101.678.7-176.1-62-67.6110.400110.5Y346 P362Y346-M350 HydrophobicContact CD1-CE 3.91Å; Y346-M350 HydrophobicContact CD1-CG 4.37Å; Y346-M350 HydrophobicContact CD1-SD 4.12Å; Y346-M350 HydrophobicContact CE1-CE 3.55Å; Y346-M350 HydrophobicContact CE1-SD 3.79Å; Y346-M350 VanDerWaalsContact O-CG 3.29Å; Y346-M350 WeakPolarHBondContact O-CG 3.34Å; M350-P362 HydrophobicContact CE-CG 4.28Å
351D85.7Confident76.8Confident54 Ų54101.7 Ų101.729%0.28947%0.468SS..PPolyproline II helixtrans-59.1146.5169.4-67.9-32.6000110.3Y349 I360 R365 V372Y349-D351 PolarHBondContact O-N 2.87Å; D351-I360 WeakPolarHBondContact O-CB 3.42Å; D351-I360 PolarHBondContact O-N 3.31Å; D351-R365 IonicContact OD2-CZ 3.53Å; D351-R365 IonicContact OD2-NE 3.96Å; D351-R365 PolarHBondContact OD2-NE 2.84Å; D351-R365 IonicContact OD2-NH2 3.2Å; D351-R365 PolarHBondContact OD2-NH2 2.7Å; D351-V372 HydrophobicContact CB-CB 4Å; D351-V372 HydrophobicContact CB-CG1 3.95Å; D351-V372 HydrophobicContact CB-CG2 3.93Å
352L91.6Very high78.1Confident112 Ų112100.3 Ų100.359%0.58647%0.468SS*.BIsolated β-bridgetrans-93.2138.4174-67.3118.8000109.8F354 G357L352-F354 PolarHBondContact O-N 3.29Å; L352-G357 WeakPolarHBondContact CD2-O 3.38Å
353C94.1Very high79.7Confident3 Ų397.6 Ų97.62%0.0246%0.459CS..PPolyproline II helixtrans-70.5127.5174.2-179.40000111D355 C356 G357 K358 I360 V372 H374C353-D355 VanDerWaalsContact C-N 3.29Å; C353-D355 PolarHBondContact O-N 2.95Å; C353-C356 VanDerWaalsContact CB-SG 3.59Å; C353-G357 WeakPolarHBondContact O-CA 3.43Å; C353-G357 PolarHBondContact O-N 2.9Å; C353-K358 PolarHBondContact N-O 3.03Å; C353-I360 HydrophobicContact CB-CD1 3.71Å; C353-I360 HydrophobicContact CB-CG1 3.77Å; C353-V372 WeakPolarHBondContact CA-O 3.41Å; C353-H374 WeakPolarHBondContact CB-CE1 3.29Å; C353-H374 WeakPolarHBondContact CB-ND1 3.34Å; C353-H374 PolarHBondContact SG-N 2.92Å; C353-H374 PolarHBondContact SG-ND1 3.44Å
354F91.5Very high81Confident113 Ų11397.8 Ų97.850%0.49646%0.455SS..THydrogen-bonded Turntrans-63.5-34.2179.8-173.4-92.1000112.7L352 R371 V372 Y373L352-F354 PolarHBondContact O-N 3.29Å; F354-R371 HydrophobicContact CB-CB 4.42Å; F354-R371 HydrophobicContact CD2-CG 4.1Å; F354-R371 HydrophobicContact CG-CG 4.37Å; F354-R371 VanDerWaalsContact CZ-CZ 3.42Å; F354-V372 PolarHBondContact N-O 3.37Å; F354-Y373 HydrophobicContact CB-CD1 4.25Å; F354-Y373 HydrophobicContact CB-CE1 3.68Å; F354-Y373 HydrophobicContact CD1-CE1 4.01Å; F354-Y373 HydrophobicContact CG-CE1 4.27Å
355D91.4Very high82.3Confident86 Ų8693.7 Ų93.746%0.4644%0.44SS..THydrogen-bonded Turntrans-78.6-39.5-178.5-68.9-27.9000113.5C353 Y373 C377C353-D355 VanDerWaalsContact C-N 3.29Å; C353-D355 PolarHBondContact O-N 2.95Å; D355-Y373 HydrophobicContact CB-CD1 4.44Å; D355-Y373 WeakPolarHBondContact OD1-CE1 3.37Å; D355-Y373 WeakPolarHBondContact OD2-CD1 3.42Å; D355-Y373 WeakPolarHBondContact OD2-CE1 3.39Å; D355-C377 HydrophobicContact CB-CB 4.02Å
356C93.8Very high83.8Confident51 Ų5187 Ų8735%0.34542%0.415SS..THydrogen-bonded Turntrans-116.1-7-171.580.40000114.7C353 K358 H374C353-C356 VanDerWaalsContact CB-SG 3.59Å; C356-K358 PolarHBondContact O-N 3.27Å; C356-K358 VanDerWaalsContact O-N 3.14Å; C356-K358 VanDerWaalsContact SG-CB 3.59Å; C356-K358 PolarHBondContact SG-N 3.39Å; C356-H374 PolarHBondContact SG-CE1 3.38Å; C356-H374 PolarHBondContact SG-ND1 3.41Å; C356-H374 VanDerWaalsContact SG-ND1 3.38Å
357G91.8Very high85.3Confident49 Ų4982.9 Ų82.951%0.50541%0.407SS..  trans65.412.3-179.200000115.1L352 C353L352-G357 WeakPolarHBondContact CD2-O 3.38Å; C353-G357 WeakPolarHBondContact O-CA 3.43Å; C353-G357 PolarHBondContact O-N 2.9Å
358K92.3Very high86.6Confident143 Ų14378.7 Ų78.762%0.62239%0.388SS*.PPolyproline II helixtrans-95.5154-179.7-60.1175-175.4176.40110.4C353 C356C353-K358 PolarHBondContact N-O 3.03Å; C356-K358 PolarHBondContact O-N 3.27Å; C356-K358 VanDerWaalsContact O-N 3.14Å; C356-K358 VanDerWaalsContact SG-CB 3.59Å; C356-K358 PolarHBondContact SG-N 3.39Å
359R91.3Very high87.9Confident157 Ų15774.4 Ų74.459%0.59239%0.388SS*.BIsolated β-bridgetrans-60136.8174.4-62.2178.7-173.4-95.20.8110.4H374R359-H374 PolarHBondContact O-NE2 2.72Å
360I91.9Very high89Confident3 Ų376.2 Ų76.22%0.01540%0.402CS..PPolyproline II helixtrans-97.6125.8177.5-65.9176000108.4D351 C353 R365 V372 Y373 H374D351-I360 WeakPolarHBondContact O-CB 3.42Å; D351-I360 PolarHBondContact O-N 3.31Å; C353-I360 HydrophobicContact CB-CD1 3.71Å; C353-I360 HydrophobicContact CB-CG1 3.77Å; I360-R365 HydrophobicContact CG2-CB 3.76Å; I360-R365 HydrophobicContact CG2-CG 4.16Å; I360-V372 HydrophobicContact CD1-CB 3.87Å; I360-V372 HydrophobicContact CD1-CG1 3.43Å; I360-V372 VanDerWaalsContact CD1-CG1 3.43Å; I360-Y373 VanDerWaalsContact CD1-C 3.45Å; I360-H374 WeakPolarHBondContact CG1-NE2 3.11Å
361Y89.4Confident90Very high144 Ų14479.1 Ų79.157%0.56541%0.412SS*.PPolyproline II helixtrans-73.9145.6167.4-69.8-74.7000109.7V363 D364 R365Y361-V363 PolarHBondContact O-N 2.88Å; Y361-D364 PolarHBondContact O-N 2.97Å; Y361-R365 PolarHBondContact O-N 3.32Å
362P87Confident90.3Very high70 Ų7077.3 Ų77.346%0.45540%0.403SS..G310 helixtrans-50.9-32.4-178.8-29.435.2000114.3M350 R365M350-P362 HydrophobicContact CE-CG 4.28Å; P362-R365 WeakPolarHBondContact O-CB 3.38Å; P362-R365 PolarHBondContact O-N 3.03Å
363V89Confident90.4Very high74 Ų7472.2 Ų72.245%0.44838%0.376SS..G310 helixtrans-70.4-29.7179.4177.60000113.2Y56 Y361 K375Y56-V363 HydrophobicContact CE1-CG2 4.48Å; Y56-V363 WeakPolarHBondContact OH-CG2 3.38Å; Y361-V363 PolarHBondContact O-N 2.88Å; V363-K375 WeakPolarHBondContact O-CE 3.27Å; V363-K375 PolarHBondContact O-NZ 3.14Å
364D89.6Confident90.4Very high60 Ų6073 Ų7332%0.32138%0.379SS..G310 helixtrans-99.46.3-179.4-71.1-31.9000113.1Y361 I366 H374 K375Y361-D364 PolarHBondContact O-N 2.97Å; D364-I366 PolarHBondContact O-N 3.44Å; D364-H374 CarbonylContact O-C 3.51Å; D364-H374 WeakPolarHBondContact O-CA 3.46Å; D364-K375 PolarHBondContact O-N 3.48Å
365R90.5Very high90.4Very high102 Ų10272.8 Ų72.839%0.38538%0.378SS..EExtended strand (participates in β ladder)trans-73.2116.7-175.4-169.1-178.2-174.6-99.10.1111.6D351 I360 Y361 P362 V372D351-R365 IonicContact OD2-CZ 3.53Å; D351-R365 IonicContact OD2-NE 3.96Å; D351-R365 PolarHBondContact OD2-NE 2.84Å; D351-R365 IonicContact OD2-NH2 3.2Å; D351-R365 PolarHBondContact OD2-NH2 2.7Å; I360-R365 HydrophobicContact CG2-CB 3.76Å; I360-R365 HydrophobicContact CG2-CG 4.16Å; Y361-R365 PolarHBondContact O-N 3.32Å; P362-R365 WeakPolarHBondContact O-CB 3.38Å; P362-R365 PolarHBondContact O-N 3.03Å; R365-V372 HydrophobicContact CG-CG1 3.57Å
366I91.4Very high90.4Very high14 Ų1471.9 Ų71.97%0.07238%0.378CS..EExtended strand (participates in β ladder)trans-113.2116.9164-62.4-174.2000107.7D364 V372 Y373 K375 F378 V389D364-I366 PolarHBondContact O-N 3.44Å; I366-V372 CarbonylContact O-C 3.53Å; I366-V372 WeakPolarHBondContact O-CA 3.35Å; I366-V372 WeakPolarHBondContact O-CG1 3.5Å; I366-Y373 PolarHBondContact N-O 3.37Å; I366-Y373 PolarHBondContact O-N 3.45Å; I366-K375 HydrophobicContact CD1-CB 4.28Å; I366-K375 HydrophobicContact CD1-CG 3.88Å; I366-K375 HydrophobicContact CG1-CG 3.91Å; I366-F378 HydrophobicContact CD1-CB 3.9Å; I366-F378 HydrophobicContact CD1-CD1 4.14Å; I366-F378 HydrophobicContact CD1-CG 4.08Å; I366-F378 HydrophobicContact CG2-CD1 4.46Å; I366-F378 HydrophobicContact CG2-CD2 4.1Å; I366-F378 HydrophobicContact CG2-CE2 4.18Å; I366-F378 HydrophobicContact CG2-CG 4.24Å; I366-F378 HydrophobicContact CG2-CZ 4.4Å; I366-V389 HydrophobicContact CG2-CG2 3.94Å
367S90.4Very high90.4Very high52 Ų5270.6 Ų70.636%0.36437%0.37SS..EExtended strand (participates in β ladder)trans-96.7130.5172.9176.50000109.2
368T86.8Confident90.5Very high18 Ų1868.2 Ų68.211%0.1135%0.346CS..EExtended strand (participates in β ladder)trans-132.192.9177.6-63.10000107.5E370 R371 F378 F392T368-E370 PolarHBondContact O-N 3.47Å; T368-R371 PolarHBondContact N-O 3.1Å; T368-R371 PolarHBondContact O-N 3.31Å; T368-R371 VanDerWaalsContact O-N 3.08Å; T368-F378 VanDerWaalsContact OG1-CE2 3.29Å; T368-F378 WeakPolarHBondContact OG1-CE2 3.19Å; T368-F392 HydrophobicContact CG2-CD2 4.2Å; T368-F392 HydrophobicContact CG2-CE2 3.23Å; T368-F392 HydrophobicContact CG2-CZ 3.51Å
369G84.6Confident90.6Very high73 Ų7366.8 Ų66.875%0.75334%0.336SS*.THydrogen-bonded Turntrans56.9-119.8-171.200000111R371G369-R371 VanDerWaalsContact C-N 3.34Å
370E85.3Confident90.8Very high200 Ų20059.4 Ų59.494%0.93531%0.309SS*.THydrogen-bonded Turntrans-82.1-7.9-178.3-61.7178.5176.300114.2T368T368-E370 PolarHBondContact O-N 3.47Å
371R90Very high90.8Very high83 Ų8362 Ų6231%0.31333%0.331SS..EExtended strand (participates in β ladder)trans-112.1148.1-173.9-63.1-179.6-174-173.90.3111.5F354 T368 G369 Y373 G397F354-R371 HydrophobicContact CB-CB 4.42Å; F354-R371 HydrophobicContact CD2-CG 4.1Å; F354-R371 HydrophobicContact CG-CG 4.37Å; F354-R371 VanDerWaalsContact CZ-CZ 3.42Å; T368-R371 PolarHBondContact N-O 3.1Å; T368-R371 PolarHBondContact O-N 3.31Å; T368-R371 VanDerWaalsContact O-N 3.08Å; G369-R371 VanDerWaalsContact C-N 3.34Å; R371-Y373 HydrophobicContact CB-CD2 4.43Å; R371-Y373 HydrophobicContact CB-CE2 3.53Å; R371-Y373 WeakPolarHBondContact CD-OH 3.33Å; R371-G397 PolarHBondContact NH1-O 3.17Å
372V92.1Very high91Very high17 Ų1758.3 Ų58.310%0.10332%0.323CS..EExtended strand (participates in β ladder)trans-121.6138.4179.4-161.10000109.2D351 C353 F354 I360 R365 I366D351-V372 HydrophobicContact CB-CB 4Å; D351-V372 HydrophobicContact CB-CG1 3.95Å; D351-V372 HydrophobicContact CB-CG2 3.93Å; C353-V372 WeakPolarHBondContact CA-O 3.41Å; F354-V372 PolarHBondContact N-O 3.37Å; I360-V372 HydrophobicContact CD1-CB 3.87Å; I360-V372 HydrophobicContact CD1-CG1 3.43Å; I360-V372 VanDerWaalsContact CD1-CG1 3.43Å; R365-V372 HydrophobicContact CG-CG1 3.57Å; I366-V372 CarbonylContact O-C 3.53Å; I366-V372 WeakPolarHBondContact O-CA 3.35Å; I366-V372 WeakPolarHBondContact O-CG1 3.5Å
373Y93.7Very high91.4Very high4 Ų457.3 Ų57.32%0.01632%0.317CS..EExtended strand (participates in β ladder)trans-132.1150.3-175.5-61.7-88.6000110.3F354 D355 I360 I366 R371 F378 I399F354-Y373 HydrophobicContact CB-CD1 4.25Å; F354-Y373 HydrophobicContact CB-CE1 3.68Å; F354-Y373 HydrophobicContact CD1-CE1 4.01Å; F354-Y373 HydrophobicContact CG-CE1 4.27Å; D355-Y373 HydrophobicContact CB-CD1 4.44Å; D355-Y373 WeakPolarHBondContact OD1-CE1 3.37Å; D355-Y373 WeakPolarHBondContact OD2-CD1 3.42Å; D355-Y373 WeakPolarHBondContact OD2-CE1 3.39Å; I360-Y373 VanDerWaalsContact CD1-C 3.45Å; I366-Y373 PolarHBondContact N-O 3.37Å; I366-Y373 PolarHBondContact O-N 3.45Å; R371-Y373 HydrophobicContact CB-CD2 4.43Å; R371-Y373 HydrophobicContact CB-CE2 3.53Å; R371-Y373 WeakPolarHBondContact CD-OH 3.33Å; Y373-F378 AromaticContact CD2-CD2 3.91Å; Y373-F378 HydrophobicContact CD2-CD2 3.91Å; Y373-F378 HydrophobicContact CD2-CE2 4.16Å; Y373-F378 AromaticContact CG-CD2 3.88Å; Y373-F378 HydrophobicContact CG-CD2 3.88Å; Y373-I399 HydrophobicContact CD1-CD1 3.95Å; Y373-I399 HydrophobicContact CD2-CD1 4.04Å; Y373-I399 HydrophobicContact CE1-CD1 3.51Å; Y373-I399 HydrophobicContact CE2-CD1 3.65Å; Y373-I399 HydrophobicContact CG-CD1 4.19Å
374H93.9Very high91.6Very high19 Ų1960.5 Ų60.59%0.08833%0.327CS..EExtended strand (participates in β ladder)trans-68.6148.5162.1-62.399.7000109.7C353 C356 R359 I360 D364 S376 C377 F378C353-H374 WeakPolarHBondContact CB-CE1 3.29Å; C353-H374 WeakPolarHBondContact CB-ND1 3.34Å; C353-H374 PolarHBondContact SG-N 2.92Å; C353-H374 PolarHBondContact SG-ND1 3.44Å; C356-H374 PolarHBondContact SG-CE1 3.38Å; C356-H374 PolarHBondContact SG-ND1 3.41Å; C356-H374 VanDerWaalsContact SG-ND1 3.38Å; R359-H374 PolarHBondContact O-NE2 2.72Å; I360-H374 WeakPolarHBondContact CG1-NE2 3.11Å; D364-H374 CarbonylContact O-C 3.51Å; D364-H374 WeakPolarHBondContact O-CA 3.46Å; H374-S376 PolarHBondContact O-N 3.38Å; H374-S376 VanDerWaalsContact O-N 3.08Å; H374-C377 HydrophobicContact CB-CB 3.98Å; H374-C377 PolarHBondContact O-N 2.97Å; H374-F378 PolarHBondContact O-N 3.4Å
375K91.9Very high91.7Very high109 Ų10966.2 Ų66.247%0.47434%0.344SS..THydrogen-bonded Turntrans-47.6-36.7167.7-73.4177.8174.8173.20113.6V363 D364 I366V363-K375 WeakPolarHBondContact O-CE 3.27Å; V363-K375 PolarHBondContact O-NZ 3.14Å; D364-K375 PolarHBondContact O-N 3.48Å; I366-K375 HydrophobicContact CD1-CB 4.28Å; I366-K375 HydrophobicContact CD1-CG 3.88Å; I366-K375 HydrophobicContact CG1-CG 3.91Å
376S92.6Very high91.8Very high67 Ų6764.8 Ų64.847%0.46935%0.347SS..THydrogen-bonded Turntrans-83.4-19.9178.7600000114H374 R379H374-S376 PolarHBondContact O-N 3.38Å; H374-S376 VanDerWaalsContact O-N 3.08Å; S376-R379 PolarHBondContact O-NE 3.18Å; S376-R379 PolarHBondContact O-NH2 3.39Å
377C93.8Very high91.9Very high24 Ų2464.8 Ų64.816%0.16235%0.347CS..THydrogen-bonded Turntrans-87.9-30.7178.5-71.50000111.7D355 H374 R379D355-C377 HydrophobicContact CB-CB 4.02Å; H374-C377 HydrophobicContact CB-CB 3.98Å; H374-C377 PolarHBondContact O-N 2.97Å; C377-R379 VanDerWaalsContact C-N 3.32Å; C377-R379 WeakPolarHBondContact O-CB 3.5Å; C377-R379 WeakPolarHBondContact O-CG 3.33Å; C377-R379 PolarHBondContact O-N 2.97Å
378F93.9Very high91.8Very high0 Ų068.2 Ų68.20%036%0.361CS..  trans-62.886.3-178.2-162-111.8000112.5I366 T368 Y373 H374 T386 L387 F392 I399I366-F378 HydrophobicContact CD1-CB 3.9Å; I366-F378 HydrophobicContact CD1-CD1 4.14Å; I366-F378 HydrophobicContact CD1-CG 4.08Å; I366-F378 HydrophobicContact CG2-CD1 4.46Å; I366-F378 HydrophobicContact CG2-CD2 4.1Å; I366-F378 HydrophobicContact CG2-CE2 4.18Å; I366-F378 HydrophobicContact CG2-CG 4.24Å; I366-F378 HydrophobicContact CG2-CZ 4.4Å; T368-F378 VanDerWaalsContact OG1-CE2 3.29Å; T368-F378 WeakPolarHBondContact OG1-CE2 3.19Å; Y373-F378 AromaticContact CD2-CD2 3.91Å; Y373-F378 HydrophobicContact CD2-CD2 3.91Å; Y373-F378 HydrophobicContact CD2-CE2 4.16Å; Y373-F378 AromaticContact CG-CD2 3.88Å; Y373-F378 HydrophobicContact CG-CD2 3.88Å; H374-F378 PolarHBondContact O-N 3.4Å; F378-T386 WeakPolarHBondContact O-CA 3.22Å; F378-L387 HydrophobicContact CD1-CB 3.59Å; F378-L387 WeakPolarHBondContact CD1-O 3.31Å; F378-L387 HydrophobicContact CE1-CB 3.61Å; F378-L387 PolarHBondContact O-N 2.94Å; F378-F392 HydrophobicContact CE1-CB 3.84Å; F378-F392 AromaticContact CE1-CD1 3.68Å; F378-F392 HydrophobicContact CE1-CD1 3.68Å; F378-F392 HydrophobicContact CE1-CE1 4.38Å; F378-F392 AromaticContact CE1-CG 3.8Å; F378-F392 HydrophobicContact CE1-CG 3.8Å; F378-F392 HydrophobicContact CE2-CG 4.48Å; F378-F392 HydrophobicContact CZ-CB 3.77Å; F378-F392 AromaticContact CZ-CD1 3.42Å; F378-F392 HydrophobicContact CZ-CD1 3.42Å; F378-F392 VanDerWaalsContact CZ-CD1 3.42Å; F378-F392 AromaticContact CZ-CD2 3.74Å; F378-F392 HydrophobicContact CZ-CD2 3.74Å; F378-F392 AromaticContact CZ-CE1 3.84Å; F378-F392 HydrophobicContact CZ-CE1 3.84Å; F378-F392 HydrophobicContact CZ-CE2 4.17Å; F378-F392 AromaticContact CZ-CG 3.35Å; F378-F392 HydrophobicContact CZ-CG 3.35Å; F378-F392 HydrophobicContact CZ-CZ 4.21Å; F378-I399 HydrophobicContact CD2-CD1 3.47Å; F378-I399 VanDerWaalsContact CD2-CD1 3.47Å; F378-I399 HydrophobicContact CE2-CD1 3.43Å; F378-I399 VanDerWaalsContact CE2-CD1 3.43Å; F378-I399 HydrophobicContact CE2-CG1 4.16Å; F378-I399 HydrophobicContact CE2-CG2 3.98Å; F378-I399 HydrophobicContact CZ-CD1 4.47Å; F378-I399 HydrophobicContact CZ-CG2 4Å
379R94.3Very high91.8Very high113 Ų11371.9 Ų71.943%0.42638%0.383SS..BIsolated β-bridgetrans-131.6148.6-170.6-67.2173.3-169.6-90.7-6111S376 C377 Q384 R385 T386S376-R379 PolarHBondContact O-NE 3.18Å; S376-R379 PolarHBondContact O-NH2 3.39Å; C377-R379 VanDerWaalsContact C-N 3.32Å; C377-R379 WeakPolarHBondContact O-CB 3.5Å; C377-R379 WeakPolarHBondContact O-CG 3.33Å; C377-R379 PolarHBondContact O-N 2.97Å; R379-Q384 PolarHBondContact NH1-O 3.27Å; R379-R385 VanDerWaalsContact CA-O 3.27Å; R379-R385 WeakPolarHBondContact CA-O 3.37Å; R379-T386 HydrophobicContact CG-CG2 4.13Å
380C95Very high91.9Very high1 Ų171 Ų711%0.00737%0.374CS..  trans-67.8132.2172176.40000110.5T382 C383 Q384 R385 L387 I399 C401 H404C380-T382 VanDerWaalsContact C-N 3.27Å; C380-T382 PolarHBondContact O-N 3Å; C380-T382 PolarHBondContact SG-N 2.95Å; C380-T382 VanDerWaalsContact SG-N 3.44Å; C380-C383 VanDerWaalsContact CB-SG 3.5Å; C380-C383 VanDerWaalsContact SG-SG 3.64Å; C380-Q384 WeakPolarHBondContact O-CA 3.17Å; C380-Q384 PolarHBondContact O-N 3.49Å; C380-R385 PolarHBondContact N-O 3.31Å; C380-L387 HydrophobicContact CB-CD1 4.02Å; C380-L387 HydrophobicContact CB-CD2 4.26Å; C380-L387 HydrophobicContact CB-CG 4.37Å; C380-I399 WeakPolarHBondContact CA-O 3.43Å; C380-C401 HydrophobicContact CB-CB 4.3Å; C380-C401 PolarHBondContact SG-N 3.29Å; C380-C401 VanDerWaalsContact SG-N 3.39Å; C380-H404 PolarHBondContact SG-ND1 2.86Å; C380-H404 VanDerWaalsContact SG-ND1 3.42Å
381A92.8Very high92.1Very high58 Ų5865.6 Ų65.648%0.47935%0.351SS..THydrogen-bonded Turntrans-60.9-33.5176.800000113.5V398 I399 F400A381-V398 HydrophobicContact CB-CG1 3.53Å; A381-I399 PolarHBondContact N-O 3.21Å; A381-F400 HydrophobicContact CB-CD1 4.34Å; A381-F400 HydrophobicContact CB-CE1 3.83Å; A381-F400 HydrophobicContact CB-CZ 4.3Å
382T92.9Very high92.2Very high66 Ų6663.9 Ų63.941%0.40535%0.346SS..THydrogen-bonded Turntrans-79.5-46.4-178-45.80000113.3C380 F400C380-T382 VanDerWaalsContact C-N 3.27Å; C380-T382 PolarHBondContact O-N 3Å; C380-T382 PolarHBondContact SG-N 2.95Å; C380-T382 VanDerWaalsContact SG-N 3.44Å; T382-F400 WeakPolarHBondContact OG1-CD1 3.02Å; T382-F400 WeakPolarHBondContact OG1-CE1 3.39Å
383C94.8Very high92.2Very high49 Ų4964.1 Ų64.133%0.33135%0.35SS..THydrogen-bonded Turntrans-112-1.9-175.164.40000115.5C380 R385 H404C380-C383 VanDerWaalsContact CB-SG 3.5Å; C380-C383 VanDerWaalsContact SG-SG 3.64Å; C383-R385 PolarHBondContact O-N 2.96Å; C383-H404 WeakPolarHBondContact CB-CE1 3.48Å; C383-H404 PolarHBondContact SG-CE1 3.2Å
384Q92.6Very high92.1Very high141 Ų14167 Ų6766%0.65937%0.371SS*.  trans56.813.2177.9-55.4178.310.200115R379 C380R379-Q384 PolarHBondContact NH1-O 3.27Å; C380-Q384 WeakPolarHBondContact O-CA 3.17Å; C380-Q384 PolarHBondContact O-N 3.49Å
385R92.6Very high91.9Very high180 Ų18067.7 Ų67.768%0.67938%0.375SS*.PPolyproline II helixtrans-72.7137.2176.6-166.4-180-63.1-176.81.5109.4R379 C380 C383 L387R379-R385 VanDerWaalsContact CA-O 3.27Å; R379-R385 WeakPolarHBondContact CA-O 3.37Å; C380-R385 PolarHBondContact N-O 3.31Å; C383-R385 PolarHBondContact O-N 2.96Å; R385-L387 PolarHBondContact O-N 3.4Å
386T92.7Very high91.6Very high72 Ų7270 Ų7044%0.44239%0.392SS..BIsolated β-bridgetrans-62.3129.1172.246.60000109.9F378 R379F378-T386 WeakPolarHBondContact O-CA 3.22Å; R379-T386 HydrophobicContact CG-CG2 4.13Å
387L92.4Very high91.3Very high15 Ų1567.9 Ų67.98%0.07938%0.382CS..PPolyproline II helixtrans-100.7157.9-178.9-56.7175.5000109.8F378 C380 R385 F392 I399 C401F378-L387 HydrophobicContact CD1-CB 3.59Å; F378-L387 WeakPolarHBondContact CD1-O 3.31Å; F378-L387 HydrophobicContact CE1-CB 3.61Å; F378-L387 PolarHBondContact O-N 2.94Å; C380-L387 HydrophobicContact CB-CD1 4.02Å; C380-L387 HydrophobicContact CB-CD2 4.26Å; C380-L387 HydrophobicContact CB-CG 4.37Å; R385-L387 PolarHBondContact O-N 3.4Å; L387-F392 HydrophobicContact CB-CB 4.23Å; L387-F392 HydrophobicContact CD1-CB 3.84Å; L387-I399 HydrophobicContact CD1-CG2 3.59Å; L387-C401 HydrophobicContact CD2-CB 3.56Å
388L88.8Confident91.1Very high124 Ų12469.9 Ų69.965%0.64939%0.393SS*.  trans-107157.3168.8-67.6118.8000108.2G390 N391L388-G390 PolarHBondContact O-N 3.08Å; L388-N391 PolarHBondContact O-N 3.49Å
389V87.5Confident91Very high95 Ų9570.4 Ų70.458%0.57640%0.396SS*.THydrogen-bonded Turntrans-54.1-24.2179.2-176.60000112.6I366 F392I366-V389 HydrophobicContact CG2-CG2 3.94Å; V389-F392 HydrophobicContact CG1-CE1 4.2Å; V389-F392 WeakPolarHBondContact O-CD1 3.46Å; V389-F392 WeakPolarHBondContact O-CE1 3.49Å
390G86.9Confident91Very high55 Ų5566 Ų6657%0.56738%0.379SS*.THydrogen-bonded Turntrans-86.2-11.317600000116.5L388 K402L388-G390 PolarHBondContact O-N 3.08Å; G390-K402 VanDerWaalsContact O-CE 3.3Å; G390-K402 WeakPolarHBondContact O-CE 3.36Å; G390-K402 PolarHBondContact O-NZ 3.48Å
391N89.3Confident91Very high85 Ų8566.6 Ų66.646%0.45538%0.384SS..SBendtrans-128.525.3-165.5-75.9-24.4000114.7L388 K402L388-N391 PolarHBondContact O-N 3.49Å; N391-K402 PolarHBondContact OD1-NZ 3.2Å; N391-K402 VanDerWaalsContact OD1-NZ 3.1Å
392F92.8Very high90.9Very high47 Ų4768.8 Ų68.821%0.20638%0.382CS..EExtended strand (participates in β ladder)trans-119.4162.9177.479.4-88.4000111.3T368 F378 L387 V389 I399 F400T368-F392 HydrophobicContact CG2-CD2 4.2Å; T368-F392 HydrophobicContact CG2-CE2 3.23Å; T368-F392 HydrophobicContact CG2-CZ 3.51Å; F378-F392 HydrophobicContact CE1-CB 3.84Å; F378-F392 AromaticContact CE1-CD1 3.68Å; F378-F392 HydrophobicContact CE1-CD1 3.68Å; F378-F392 HydrophobicContact CE1-CE1 4.38Å; F378-F392 AromaticContact CE1-CG 3.8Å; F378-F392 HydrophobicContact CE1-CG 3.8Å; F378-F392 HydrophobicContact CE2-CG 4.48Å; F378-F392 HydrophobicContact CZ-CB 3.77Å; F378-F392 AromaticContact CZ-CD1 3.42Å; F378-F392 HydrophobicContact CZ-CD1 3.42Å; F378-F392 VanDerWaalsContact CZ-CD1 3.42Å; F378-F392 AromaticContact CZ-CD2 3.74Å; F378-F392 HydrophobicContact CZ-CD2 3.74Å; F378-F392 AromaticContact CZ-CE1 3.84Å; F378-F392 HydrophobicContact CZ-CE1 3.84Å; F378-F392 HydrophobicContact CZ-CE2 4.17Å; F378-F392 AromaticContact CZ-CG 3.35Å; F378-F392 HydrophobicContact CZ-CG 3.35Å; F378-F392 HydrophobicContact CZ-CZ 4.21Å; L387-F392 HydrophobicContact CB-CB 4.23Å; L387-F392 HydrophobicContact CD1-CB 3.84Å; V389-F392 HydrophobicContact CG1-CE1 4.2Å; V389-F392 WeakPolarHBondContact O-CD1 3.46Å; V389-F392 WeakPolarHBondContact O-CE1 3.49Å; F392-I399 HydrophobicContact CB-CG2 3.95Å; F392-I399 HydrophobicContact CD2-CG2 4.18Å; F392-I399 HydrophobicContact CG-CG2 4.42Å; F392-F400 CarbonylContact C-O 3.56Å; F392-F400 WeakPolarHBondContact CA-O 3.43Å
393A91.7Very high90.9Very high22 Ų2269.6 Ų69.618%0.18239%0.389CS..EExtended strand (participates in β ladder)trans-143.3141.5164.500000108.4F400 Y405A393-F400 PolarHBondContact N-O 3.44Å; A393-F400 PolarHBondContact O-N 3.4Å; A393-Y405 HydrophobicContact CB-CD1 3.89Å; A393-Y405 HydrophobicContact CB-CD2 3.43Å; A393-Y405 VanDerWaalsContact CB-CD2 3.43Å; A393-Y405 HydrophobicContact CB-CE1 4.36Å; A393-Y405 HydrophobicContact CB-CE2 3.93Å; A393-Y405 HydrophobicContact CB-CG 3.4Å; A393-Y405 VanDerWaalsContact CB-CG 3.4Å
394S90.6Very high90.8Very high65 Ų6569.2 Ų69.246%0.45538%0.382SS..EExtended strand (participates in β ladder)trans-102.5128.4178.853.70000110.3V398S394-V398 CarbonylContact C-O 3.58Å; S394-V398 VanDerWaalsContact CA-O 3.3Å; S394-V398 WeakPolarHBondContact CA-O 3.29Å
395L89Confident90.8Very high33 Ų3365.7 Ų65.717%0.17336%0.363CS..EExtended strand (participates in β ladder)trans-120.2122.5171.4-173.166.4000108G397 V398 F400 Y405 Q408 F409L395-G397 PolarHBondContact O-N 2.85Å; L395-V398 PolarHBondContact N-O 3.24Å; L395-V398 PolarHBondContact O-N 3.34Å; L395-F400 HydrophobicContact CB-CD2 4.12Å; L395-F400 HydrophobicContact CB-CE2 4Å; L395-Y405 HydrophobicContact CB-CD2 4.1Å; L395-Y405 HydrophobicContact CB-CE2 3.82Å; L395-Y405 HydrophobicContact CD1-CE2 4.16Å; L395-Y405 HydrophobicContact CG-CE2 4.49Å; L395-Q408 HydrophobicContact CD2-CB 4.48Å; L395-F409 HydrophobicContact CD1-CD2 4.26Å
396D86.6Confident90.7Very high157 Ų15760.4 Ų60.484%0.8435%0.348SS*.THydrogen-bonded Turntrans50.332.8-179.2-55.9-34.2000114.3V398D396-V398 VanDerWaalsContact C-N 3.31Å; D396-V398 PolarHBondContact O-N 3.34Å
397G86.1Confident90.5Very high24 Ų2461.5 Ų61.525%0.24735%0.348CS..THydrogen-bonded Turntrans80.71.5-177.600000115.4R371 L395R371-G397 PolarHBondContact NH1-O 3.17Å; L395-G397 PolarHBondContact O-N 2.85Å
398V89.7Confident90.2Very high66 Ų6664.1 Ų64.140%0.436%0.36SS..EExtended strand (participates in β ladder)trans-95.3136.8172.3-176.30000109.8A381 S394 L395 D396 F400A381-V398 HydrophobicContact CB-CG1 3.53Å; S394-V398 CarbonylContact C-O 3.58Å; S394-V398 VanDerWaalsContact CA-O 3.3Å; S394-V398 WeakPolarHBondContact CA-O 3.29Å; L395-V398 PolarHBondContact N-O 3.24Å; L395-V398 PolarHBondContact O-N 3.34Å; D396-V398 VanDerWaalsContact C-N 3.31Å; D396-V398 PolarHBondContact O-N 3.34Å; V398-F400 HydrophobicContact CB-CE2 3.7Å; V398-F400 HydrophobicContact CB-CZ 4.06Å; V398-F400 HydrophobicContact CG1-CD2 4.34Å; V398-F400 HydrophobicContact CG1-CE1 4.24Å; V398-F400 HydrophobicContact CG1-CE2 3.59Å; V398-F400 HydrophobicContact CG1-CZ 3.52Å
399I92.5Very high90.1Very high10 Ų1062 Ų625%0.05135%0.345CS..EExtended strand (participates in β ladder)trans-92129.5-177.1-50.9160.4000110.3Y373 F378 C380 A381 L387 F392Y373-I399 HydrophobicContact CD1-CD1 3.95Å; Y373-I399 HydrophobicContact CD2-CD1 4.04Å; Y373-I399 HydrophobicContact CE1-CD1 3.51Å; Y373-I399 HydrophobicContact CE2-CD1 3.65Å; Y373-I399 HydrophobicContact CG-CD1 4.19Å; F378-I399 HydrophobicContact CD2-CD1 3.47Å; F378-I399 VanDerWaalsContact CD2-CD1 3.47Å; F378-I399 HydrophobicContact CE2-CD1 3.43Å; F378-I399 VanDerWaalsContact CE2-CD1 3.43Å; F378-I399 HydrophobicContact CE2-CG1 4.16Å; F378-I399 HydrophobicContact CE2-CG2 3.98Å; F378-I399 HydrophobicContact CZ-CD1 4.47Å; F378-I399 HydrophobicContact CZ-CG2 4Å; C380-I399 WeakPolarHBondContact CA-O 3.43Å; A381-I399 PolarHBondContact N-O 3.21Å; L387-I399 HydrophobicContact CD1-CG2 3.59Å; F392-I399 HydrophobicContact CB-CG2 3.95Å; F392-I399 HydrophobicContact CD2-CG2 4.18Å; F392-I399 HydrophobicContact CG-CG2 4.42Å
400F93.5Very high89.9Confident20 Ų2060.2 Ų60.29%0.08833%0.331CS..EExtended strand (participates in β ladder)trans-124.8154.8175.1-62.1-82000111.2A381 T382 F392 A393 L395 V398 H404 Q408A381-F400 HydrophobicContact CB-CD1 4.34Å; A381-F400 HydrophobicContact CB-CE1 3.83Å; A381-F400 HydrophobicContact CB-CZ 4.3Å; T382-F400 WeakPolarHBondContact OG1-CD1 3.02Å; T382-F400 WeakPolarHBondContact OG1-CE1 3.39Å; F392-F400 CarbonylContact C-O 3.56Å; F392-F400 WeakPolarHBondContact CA-O 3.43Å; A393-F400 PolarHBondContact N-O 3.44Å; A393-F400 PolarHBondContact O-N 3.4Å; L395-F400 HydrophobicContact CB-CD2 4.12Å; L395-F400 HydrophobicContact CB-CE2 4Å; V398-F400 HydrophobicContact CB-CE2 3.7Å; V398-F400 HydrophobicContact CB-CZ 4.06Å; V398-F400 HydrophobicContact CG1-CD2 4.34Å; V398-F400 HydrophobicContact CG1-CE1 4.24Å; V398-F400 HydrophobicContact CG1-CE2 3.59Å; V398-F400 HydrophobicContact CG1-CZ 3.52Å; F400-H404 HydrophobicContact CD1-CB 4.4Å; F400-Q408 HydrophobicContact CD1-CG 4.17Å; F400-Q408 HydrophobicContact CE1-CG 3.87Å; F400-Q408 HydrophobicContact CZ-CG 4.23Å
401C94.7Very high89.6Confident15 Ų1564.4 Ų64.410%0.10134%0.337CS..EExtended strand (participates in β ladder)trans-73.6154.7163.563.10000109.4C380 L387 P403 H404 Y405C380-C401 HydrophobicContact CB-CB 4.3Å; C380-C401 PolarHBondContact SG-N 3.29Å; C380-C401 VanDerWaalsContact SG-N 3.39Å; L387-C401 HydrophobicContact CD2-CB 3.56Å; C401-P403 VanDerWaalsContact C-CD 3.47Å; C401-P403 HydrophobicContact CB-CG 4.45Å; C401-H404 PolarHBondContact O-N 3.31Å; C401-H404 VanDerWaalsContact O-N 3.07Å; C401-H404 PolarHBondContact SG-ND1 3.14Å; C401-Y405 WeakPolarHBondContact O-CB 3.15Å; C401-Y405 PolarHBondContact O-N 3.06Å
402K91.5Very high89Confident103 Ų10364.3 Ų64.345%0.44834%0.343SS..Hα-helixtrans-42.7-49.3178.4-69.8176.3175.8162.60115.1G390 N391 Y405 I406G390-K402 VanDerWaalsContact O-CE 3.3Å; G390-K402 WeakPolarHBondContact O-CE 3.36Å; G390-K402 PolarHBondContact O-NZ 3.48Å; N391-K402 PolarHBondContact OD1-NZ 3.2Å; N391-K402 VanDerWaalsContact OD1-NZ 3.1Å; K402-Y405 PolarHBondContact O-N 3.14Å; K402-I406 WeakPolarHBondContact O-CG1 3.36Å; K402-I406 PolarHBondContact O-N 3.23Å
403P92.5Very high87.9Confident83 Ų8364 Ų6454%0.53935%0.349SS..Hα-helixtrans-67.5-41.6-179.725-33.3000113.1C401 I406 E407C401-P403 VanDerWaalsContact C-CD 3.47Å; C401-P403 HydrophobicContact CB-CG 4.45Å; P403-I406 PolarHBondContact O-N 3.33Å; P403-E407 PolarHBondContact O-N 3.17Å; P403-E407 VanDerWaalsContact O-N 3.08Å
404H93.6Very high86.3Confident41 Ų4166 Ų6619%0.1937%0.372CS..Hα-helixtrans-73.4-29.4178-63.3143000112.5C380 C383 F400 C401 I406 E407 Q408C380-H404 PolarHBondContact SG-ND1 2.86Å; C380-H404 VanDerWaalsContact SG-ND1 3.42Å; C383-H404 WeakPolarHBondContact CB-CE1 3.48Å; C383-H404 PolarHBondContact SG-CE1 3.2Å; F400-H404 HydrophobicContact CD1-CB 4.4Å; C401-H404 PolarHBondContact O-N 3.31Å; C401-H404 VanDerWaalsContact O-N 3.07Å; C401-H404 PolarHBondContact SG-ND1 3.14Å; H404-I406 VanDerWaalsContact C-N 3.32Å; H404-E407 IonicContact CD2-OE2 2.73Å; H404-E407 PolarHBondContact O-N 3.45Å; H404-Q408 VanDerWaalsContact O-CB 3.31Å; H404-Q408 WeakPolarHBondContact O-CB 3.29Å; H404-Q408 WeakPolarHBondContact O-CG 3.49Å; H404-Q408 PolarHBondContact O-N 2.87Å
405Y92Very high84.5Confident68 Ų6874.6 Ų74.627%0.26739%0.394SS..Hα-helixtrans-60-47.2172.6175.3-95.8000110.6A393 L395 C401 K402 Q408 F409A393-Y405 HydrophobicContact CB-CD1 3.89Å; A393-Y405 HydrophobicContact CB-CD2 3.43Å; A393-Y405 VanDerWaalsContact CB-CD2 3.43Å; A393-Y405 HydrophobicContact CB-CE1 4.36Å; A393-Y405 HydrophobicContact CB-CE2 3.93Å; A393-Y405 HydrophobicContact CB-CG 3.4Å; A393-Y405 VanDerWaalsContact CB-CG 3.4Å; L395-Y405 HydrophobicContact CB-CD2 4.1Å; L395-Y405 HydrophobicContact CB-CE2 3.82Å; L395-Y405 HydrophobicContact CD1-CE2 4.16Å; L395-Y405 HydrophobicContact CG-CE2 4.49Å; C401-Y405 WeakPolarHBondContact O-CB 3.15Å; C401-Y405 PolarHBondContact O-N 3.06Å; K402-Y405 PolarHBondContact O-N 3.14Å; Y405-Q408 PolarHBondContact O-N 3.19Å; Y405-F409 WeakPolarHBondContact O-CB 3.47Å; Y405-F409 PolarHBondContact O-N 2.89Å
406I89.6Confident83Confident68 Ų6876.3 Ų76.335%0.34940%0.399SS..Hα-helixtrans-57.9-55.6176.1-69168.2000108.7K402 P403 H404 Q408 F409 H410 Y416K402-I406 WeakPolarHBondContact O-CG1 3.36Å; K402-I406 PolarHBondContact O-N 3.23Å; P403-I406 PolarHBondContact O-N 3.33Å; H404-I406 VanDerWaalsContact C-N 3.32Å; I406-Q408 PolarHBondContact O-N 3.15Å; I406-F409 CarbonylContact O-C 3.58Å; I406-F409 WeakPolarHBondContact O-CA 3.35Å; I406-F409 WeakPolarHBondContact O-CB 3.39Å; I406-F409 PolarHBondContact O-N 3.14Å; I406-H410 VanDerWaalsContact C-CD2 3.45Å; I406-H410 WeakPolarHBondContact CG2-CD2 3.42Å; I406-H410 WeakPolarHBondContact CG2-NE2 3.38Å; I406-H410 PolarHBondContact O-CD2 3.1Å; I406-H410 PolarHBondContact O-N 3.17Å; I406-Y416 PolarHBondContact O-OH 3.12Å
407E88.8Confident81.7Confident96 Ų9676.8 Ų76.845%0.44940%0.396SS..Hα-helixtrans-54.2-47179.4-172.5179.4-173.200113.7P403 H404 F409 H410 M411P403-E407 PolarHBondContact O-N 3.17Å; P403-E407 VanDerWaalsContact O-N 3.08Å; H404-E407 IonicContact CD2-OE2 2.73Å; H404-E407 PolarHBondContact O-N 3.45Å; E407-F409 VanDerWaalsContact C-N 3.34Å; E407-H410 PolarHBondContact O-N 3.43Å; E407-M411 PolarHBondContact O-N 2.89Å
408Q87.1Confident80.2Confident70 Ų7083 Ų8333%0.32741%0.413SS..Hα-helixtrans-66.7-36.5177.3-68.6-62.9-3600112L395 F400 H404 Y405 I406 M411 S412L395-Q408 HydrophobicContact CD2-CB 4.48Å; F400-Q408 HydrophobicContact CD1-CG 4.17Å; F400-Q408 HydrophobicContact CE1-CG 3.87Å; F400-Q408 HydrophobicContact CZ-CG 4.23Å; H404-Q408 VanDerWaalsContact O-CB 3.31Å; H404-Q408 WeakPolarHBondContact O-CB 3.29Å; H404-Q408 WeakPolarHBondContact O-CG 3.49Å; H404-Q408 PolarHBondContact O-N 2.87Å; Y405-Q408 PolarHBondContact O-N 3.19Å; I406-Q408 PolarHBondContact O-N 3.15Å; Q408-M411 PolarHBondContact O-N 3.05Å; Q408-S412 WeakPolarHBondContact O-CB 3.42Å; Q408-S412 PolarHBondContact O-N 2.8Å; Q408-S412 PolarHBondContact O-OG 3.11Å
409F86.3Confident78.5Confident79 Ų7989.4 Ų89.435%0.34643%0.43SS..Hα-helixtrans-67.3-37.9174.2-166.8-106.5000110.9L395 Y405 I406 E407 M411 S412 A413 Y416L395-F409 HydrophobicContact CD1-CD2 4.26Å; Y405-F409 WeakPolarHBondContact O-CB 3.47Å; Y405-F409 PolarHBondContact O-N 2.89Å; I406-F409 CarbonylContact O-C 3.58Å; I406-F409 WeakPolarHBondContact O-CA 3.35Å; I406-F409 WeakPolarHBondContact O-CB 3.39Å; I406-F409 PolarHBondContact O-N 3.14Å; E407-F409 VanDerWaalsContact C-N 3.34Å; F409-M411 VanDerWaalsContact C-N 3.32Å; F409-M411 PolarHBondContact O-N 3.04Å; F409-S412 WeakPolarHBondContact CA-OG 3.5Å; F409-S412 PolarHBondContact O-N 3.39Å; F409-S412 PolarHBondContact O-OG 3.18Å; F409-A413 HydrophobicContact CE1-CB 4.21Å; F409-A413 HydrophobicContact CE2-CB 4.33Å; F409-A413 HydrophobicContact CZ-CB 4.11Å; F409-A413 WeakPolarHBondContact O-CA 3.48Å; F409-A413 WeakPolarHBondContact O-CB 3.43Å; F409-A413 PolarHBondContact O-N 2.78Å; F409-Y416 HydrophobicContact CB-CE1 4.32Å; F409-Y416 HydrophobicContact CD1-CD1 4.19Å; F409-Y416 AromaticContact CD1-CE1 3.31Å; F409-Y416 HydrophobicContact CD1-CE1 3.31Å; F409-Y416 AromaticContact CD1-CZ 3.56Å; F409-Y416 WeakPolarHBondContact CD1-OH 3.35Å; F409-Y416 HydrophobicContact CE1-CD1 4.43Å; F409-Y416 AromaticContact CE1-CE1 3.96Å; F409-Y416 HydrophobicContact CE1-CE1 3.96Å; F409-Y416 HydrophobicContact CG-CE1 4.17Å
410H82.3Confident76.7Confident57 Ų5796.8 Ų96.826%0.26446%0.464SS..Hα-helixtrans-65.2-36.9175.1-73.8-95.9000111.9I406 E407 Y416I406-H410 VanDerWaalsContact C-CD2 3.45Å; I406-H410 WeakPolarHBondContact CG2-CD2 3.42Å; I406-H410 WeakPolarHBondContact CG2-NE2 3.38Å; I406-H410 PolarHBondContact O-CD2 3.1Å; I406-H410 PolarHBondContact O-N 3.17Å; E407-H410 PolarHBondContact O-N 3.43Å; H410-Y416 HydrophobicContact CB-CD1 4.4Å; H410-Y416 HydrophobicContact CB-CE1 3.77Å; H410-Y416 AromaticContact CD2-CE1 3.77Å; H410-Y416 AromaticContact CD2-CE2 3.57Å; H410-Y416 AromaticContact CD2-CZ 3.11Å; H410-Y416 PolarHBondContact CD2-OH 2.9Å; H410-Y416 AromaticContact CE1-CD2 3.25Å; H410-Y416 WeakPolarHBondContact CE1-CD2 3.4Å; H410-Y416 AromaticContact CE1-CE1 3.92Å; H410-Y416 AromaticContact CE1-CE2 2.94Å; H410-Y416 WeakPolarHBondContact CE1-CE2 3.37Å; H410-Y416 AromaticContact CE1-CG 3.87Å; H410-Y416 AromaticContact CE1-CZ 3.29Å; H410-Y416 PolarHBondContact CE1-O 2.82Å; H410-Y416 AromaticContact CG-CD1 3.91Å; H410-Y416 AromaticContact CG-CE1 3.28Å; H410-Y416 AromaticContact CG-CE2 3.72Å; H410-Y416 AromaticContact CG-CZ 3.13Å; H410-Y416 VanDerWaalsContact N-CE1 3.29Å; H410-Y416 PolarHBondContact N-OH 3.3Å; H410-Y416 AromaticContact ND1-CD1 3.61Å; H410-Y416 AromaticContact ND1-CD2 3.54Å; H410-Y416 AromaticContact ND1-CE1 3.43Å; H410-Y416 WeakPolarHBondContact ND1-CE1 3.39Å; H410-Y416 AromaticContact ND1-CE2 3.37Å; H410-Y416 WeakPolarHBondContact ND1-CE2 3.14Å; H410-Y416 AromaticContact ND1-CG 3.66Å; H410-Y416 AromaticContact ND1-CZ 3.28Å; H410-Y416 VanDerWaalsContact ND1-CZ 3.28Å; H410-Y416 PolarHBondContact ND1-O 2.79Å; H410-Y416 AromaticContact NE2-CD2 3.87Å; H410-Y416 AromaticContact NE2-CE2 3.06Å; H410-Y416 WeakPolarHBondContact NE2-CE2 3.43Å; H410-Y416 AromaticContact NE2-CZ 3.19Å; H410-Y416 PolarHBondContact NE2-OH 3.19Å
411M80.7Confident74.6Confident144 Ų144100.2 Ų100.271%0.70949%0.491SS*.Hα-helixtrans-71.7-34.6-179.3-151.769.867.500112.2E407 Q408 F409E407-M411 PolarHBondContact O-N 2.89Å; Q408-M411 PolarHBondContact O-N 3.05Å; F409-M411 VanDerWaalsContact C-N 3.32Å; F409-M411 PolarHBondContact O-N 3.04Å
412S77Confident72.3Confident82 Ų82105.9 Ų105.957%0.57352%0.52SS*.Hα-helixtrans-88.9-42.6-178.451.10000113.1Q408 F409 G414Q408-S412 WeakPolarHBondContact O-CB 3.42Å; Q408-S412 PolarHBondContact O-N 2.8Å; Q408-S412 PolarHBondContact O-OG 3.11Å; F409-S412 WeakPolarHBondContact CA-OG 3.5Å; F409-S412 PolarHBondContact O-N 3.39Å; F409-S412 PolarHBondContact O-OG 3.18Å; S412-G414 PolarHBondContact O-N 3Å
413A70Confident70.1Confident40 Ų40109.5 Ų109.533%0.33154%0.544SS..THydrogen-bonded Turntrans-100.878.7178.400000109.7F409 R415F409-A413 HydrophobicContact CE1-CB 4.21Å; F409-A413 HydrophobicContact CE2-CB 4.33Å; F409-A413 HydrophobicContact CZ-CB 4.11Å; F409-A413 WeakPolarHBondContact O-CA 3.48Å; F409-A413 WeakPolarHBondContact O-CB 3.43Å; F409-A413 PolarHBondContact O-N 2.78Å; A413-R415 PolarHBondContact O-N 2.83Å
414G58Low68.1Low64 Ų64113 Ų11366%0.6655%0.553SS**THydrogen-bonded Turntrans-33.5127.2-171.900000115.9S412S412-G414 PolarHBondContact O-N 3Å
415R53.8Low65.9Low247 Ų247117 Ų11793%0.93259%0.586SS**  trans4972.8168-53.3-171.4-139-156.54.3115.7A413A413-R415 PolarHBondContact O-N 2.83Å
416Y56.9Low63.9Low68 Ų68117.6 Ų117.627%0.26760%0.604SS.*  trans-101.4119.6149.768.4-86000109.6I406 F409 H410 Y418I406-Y416 PolarHBondContact O-OH 3.12Å; F409-Y416 HydrophobicContact CB-CE1 4.32Å; F409-Y416 HydrophobicContact CD1-CD1 4.19Å; F409-Y416 AromaticContact CD1-CE1 3.31Å; F409-Y416 HydrophobicContact CD1-CE1 3.31Å; F409-Y416 AromaticContact CD1-CZ 3.56Å; F409-Y416 WeakPolarHBondContact CD1-OH 3.35Å; F409-Y416 HydrophobicContact CE1-CD1 4.43Å; F409-Y416 AromaticContact CE1-CE1 3.96Å; F409-Y416 HydrophobicContact CE1-CE1 3.96Å; F409-Y416 HydrophobicContact CG-CE1 4.17Å; H410-Y416 HydrophobicContact CB-CD1 4.4Å; H410-Y416 HydrophobicContact CB-CE1 3.77Å; H410-Y416 AromaticContact CD2-CE1 3.77Å; H410-Y416 AromaticContact CD2-CE2 3.57Å; H410-Y416 AromaticContact CD2-CZ 3.11Å; H410-Y416 PolarHBondContact CD2-OH 2.9Å; H410-Y416 AromaticContact CE1-CD2 3.25Å; H410-Y416 WeakPolarHBondContact CE1-CD2 3.4Å; H410-Y416 AromaticContact CE1-CE1 3.92Å; H410-Y416 AromaticContact CE1-CE2 2.94Å; H410-Y416 WeakPolarHBondContact CE1-CE2 3.37Å; H410-Y416 AromaticContact CE1-CG 3.87Å; H410-Y416 AromaticContact CE1-CZ 3.29Å; H410-Y416 PolarHBondContact CE1-O 2.82Å; H410-Y416 AromaticContact CG-CD1 3.91Å; H410-Y416 AromaticContact CG-CE1 3.28Å; H410-Y416 AromaticContact CG-CE2 3.72Å; H410-Y416 AromaticContact CG-CZ 3.13Å; H410-Y416 VanDerWaalsContact N-CE1 3.29Å; H410-Y416 PolarHBondContact N-OH 3.3Å; H410-Y416 AromaticContact ND1-CD1 3.61Å; H410-Y416 AromaticContact ND1-CD2 3.54Å; H410-Y416 AromaticContact ND1-CE1 3.43Å; H410-Y416 WeakPolarHBondContact ND1-CE1 3.39Å; H410-Y416 AromaticContact ND1-CE2 3.37Å; H410-Y416 WeakPolarHBondContact ND1-CE2 3.14Å; H410-Y416 AromaticContact ND1-CG 3.66Å; H410-Y416 AromaticContact ND1-CZ 3.28Å; H410-Y416 VanDerWaalsContact ND1-CZ 3.28Å; H410-Y416 PolarHBondContact ND1-O 2.79Å; H410-Y416 AromaticContact NE2-CD2 3.87Å; H410-Y416 AromaticContact NE2-CE2 3.06Å; H410-Y416 WeakPolarHBondContact NE2-CE2 3.43Å; H410-Y416 AromaticContact NE2-CZ 3.19Å; H410-Y416 PolarHBondContact NE2-OH 3.19Å; Y416-Y418 PolarHBondContact O-N 2.89Å
417E58.8Low62.1Low167 Ų167119.7 Ų119.778%0.7862%0.622SS**  trans-76.4108.7167-79.1-173.1159.400108.2R419E417-R419 PolarHBondContact O-N 3.25Å
418Y54.7Low59.7Low155 Ų155123.9 Ų123.961%0.60865%0.647SS**  trans-76.393.5167.6-174.5-109.2000108.4Y416 Q420Y416-Y418 PolarHBondContact O-N 2.89Å; Y418-Q420 HydrophobicContact CD1-CG 3.57Å; Y418-Q420 HydrophobicContact CE1-CG 3.33Å; Y418-Q420 PolarHBondContact O-N 2.81Å
419R54.7Low57.8Low201 Ų201124.9 Ų124.976%0.75866%0.661SS**  trans-65.997.3168.2-80.1-179.2121.3115.2-5108.6E417 S421E417-R419 PolarHBondContact O-N 3.25Å; R419-S421 PolarHBondContact O-N 3.11Å
420Q53.4Low56Low164 Ų164126.3 Ų126.377%0.76668%0.682SS**  trans-6775.6154.7-73.1179.59.800108.2Y418 L422Y418-Q420 HydrophobicContact CD1-CG 3.57Å; Y418-Q420 HydrophobicContact CE1-CG 3.33Å; Y418-Q420 PolarHBondContact O-N 2.81Å; Q420-L422 PolarHBondContact O-N 3.5Å
421S49.2Very low54.6Low92 Ų92129 Ų12964%0.64370%0.702SS**  trans-71.9100165.551.60000108.4R419R419-S421 PolarHBondContact O-N 3.11Å
422L47.5Very low52.9Low135 Ų135131.9 Ų131.971%0.70771%0.711SS**  trans69.473.7137.2-65.1145.3000116.8Q420 Q424Q420-L422 PolarHBondContact O-N 3.5Å; L422-Q424 HydrophobicContact CD2-CB 4.44Å
423N45.2Very low51.7Low178 Ų178138.9 Ų138.995%0.95272%0.724SS**  trans-95.348.2139.8-98.3-14.6000110
424Q51.4Low51.1Low158 Ų158142.9 Ų142.974%0.73875%0.745SS**  trans-106.391.4159.9-112.9155.73.100106.7L422 A426L422-Q424 HydrophobicContact CD2-CB 4.44Å; Q424-A426 PolarHBondContact O-N 2.74Å
425S47.3Very low50.4Low125 Ų125149.2 Ų149.287%0.87476%0.757SS**  trans-6285.3161.8540000108.6
426A49.2Very low50.1Low79 Ų79140.9 Ų140.965%0.65375%0.748SS**  trans-104.4131.315900000107.4Q424 L428Q424-A426 PolarHBondContact O-N 2.74Å; A426-L428 PolarHBondContact O-N 3.48Å
427P50.9Low49.5Very low112 Ų112146.3 Ų146.373%0.72778%0.775SS**  trans-67.4134.2-169.126.5-32000111.3S429P427-S429 PolarHBondContact O-N 3.22Å
428L40Very low48.9Very low184 Ų184153.1 Ų153.196%0.96380%0.796SS**SBendtrans-64.582.9165.2-72.3172.2000109.4A426A426-L428 PolarHBondContact O-N 3.48Å
429S46.2Very low48.6Very low91 Ų91153.1 Ų153.164%0.63681%0.806SS**  trans-169.771.3167.862.70000112.3P427P427-S429 PolarHBondContact O-N 3.22Å
430S49.5Very low48.3Very low110 Ų110150.5 Ų150.577%0.76981%0.808SS**  trans-170.7112.3151.139.50000112.6
431V51.9Low48Very low113 Ų113149.8 Ų149.869%0.68581%0.811SS**  trans7886.7138.8-169.40000115.6R433V431-R433 HydrophobicContact CG1-CB 4Å; V431-R433 PolarHBondContact O-N 3.49Å
432F44.5Very low47.9Very low205 Ų205153.2 Ų153.290%0.89982%0.82SS**  trans-45.2114.7133.8-87.3-99.4000108.9
433R53.3Low48Very low229 Ų229154.3 Ų154.386%0.86483%0.828SS**  trans-129.8100156.6-140.1173.5-177.7153.1-0.4107.8V431 Q435V431-R433 HydrophobicContact CG1-CB 4Å; V431-R433 PolarHBondContact O-N 3.49Å; R433-Q435 PolarHBondContact O-N 3.03Å
434V55.7Low48.1Very low124 Ų124152.7 Ų152.775%0.75282%0.819SS**  trans-58.1121.51681770000107.6G436V434-G436 PolarHBondContact O-N 3.17Å
435Q44Very low47.9Very low196 Ų196152.4 Ų152.492%0.91683%0.825SS**  trans-78.9108.5158.8-77.8179.3-3200106.5R433R433-Q435 PolarHBondContact O-N 3.03Å
436G48.5Very low48Very low72 Ų72154.5 Ų154.574%0.74282%0.821SS**  trans-94.8117.9162.800000108V434V434-G436 PolarHBondContact O-N 3.17Å
437E43.8Very low47.9Very low182 Ų182160.8 Ų160.885%0.8584%0.835SS**  trans-70.4131.9163.7-62.7171.8145.200108.8
438Y46Very low47.6Very low311 Ų311165.2 Ų165.2100%1.2285%0.845SS**  trans-1780140.2-95.9-67000109.7

Retrieved 438 of 438 residues in 57.7 ms (Link to these results)