A0A087XD93_POEFO Loading...

GATA binding protein 2

AlphaFold DB , UniProt , Accession A0A087XD93, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 462 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.4Very low38Very low231 Ų231159.8 Ų159.8100%1.13884%0.838SS**  0161.60-67.365.5173.300107.8
2D37.5Very low38Very low143 Ų143161.1 Ų161.177%0.76584%0.836SS**  trans-18.9124.1176.4-63.3-99.7000116.6
3V38.3Very low38.9Very low138 Ų138156.1 Ų156.184%0.83682%0.82SS**  70.3107.376.11740000111.7
4A40.3Very low38.5Very low102 Ų102157.6 Ų157.684%0.84382%0.82SS**  trans-102.6160.2175.500000111.5
5A46.3Very low38.1Very low111 Ų111153.5 Ų153.592%0.91782%0.818SS**  trans-96.3178.1-160.600000116.3
6D38.3Very low37.7Very low136 Ų136149.8 Ų149.873%0.72782%0.815SS**  trans-98.8147.2-153.5-165.6-138.8000114.7
7Q34.9Very low37.4Very low156 Ų156151.2 Ų151.273%0.72982%0.818SS**  trans67.2178.1156.6-59.2-88.8-18.900118
8P50.8Low37.2Very low101 Ų101150.5 Ų150.566%0.65681%0.813SS**  -140.6165.5-73.341.9-26.1000115.6
9R31Very low36.8Very low236 Ų236150.1 Ų150.189%0.89181%0.81SS**  trans-157.2134.6148.8-141.7171-175.11731.3114.4
10W30.9Very low36.4Very low238 Ų238146.1 Ų146.190%0.90281%0.806SS**  trans-99.8141.9167.4-79.987.5000110.8
11M33.2Very low36.2Very low166 Ų166147.1 Ų147.182%0.81881%0.805SS**  trans-140.3160.7153-72.6-154.475.300110.9
12H38.1Very low36.1Very low175 Ų175144.9 Ų144.981%0.8179%0.791SS**  trans-82-175.9-176-73.956.1000110.9
13P49.6Very low36.7Very low96 Ų96143.1 Ų143.162%0.62379%0.787SS**  cis-147.6-150.619.742.5-18.3000116.9
14H33Very low36.3Very low177 Ų177143.5 Ų143.582%0.81979%0.785SS**  trans84.7146.2174.5-51-71.5000117.2
15A32.9Very low35.9Very low97 Ų97143.4 Ų143.480%0.80278%0.778SS**  cis-160.6170.5-22.100000112.6
16A32.2Very low35.5Very low93 Ų93145.1 Ų145.177%0.76977%0.767SS**  trans-59.5-173-170.800000120.3
17M31.9Very low35.4Very low174 Ų174145.2 Ų145.286%0.85776%0.763SS**  trans93.3144.7169.9-59.8-166.6159.100117.3
18L33.8Very low35.4Very low139 Ų139145.9 Ų145.973%0.72877%0.765SS**  cis-160.7145-18.6-115169.2000111.3
19N29.4Very low34.3Very low142 Ų142144.1 Ų144.176%0.75977%0.766SS**  trans46.2151.7149.6-142.227.3000124.7
20G29.7Very low34.5Very low70 Ų70141 Ų14172%0.72277%0.766SS**  trans155.5123.7165.100000114.4
21Q32.3Very low34.6Very low169 Ų169133 Ų13379%0.7976%0.757SS**  trans-137125.4-170.1-68162.5-94.400114.5
22H33Very low34.6Very low184 Ų184134.3 Ų134.385%0.85276%0.761SS**  trans53.6-175.3149.2-122.6-134.7000117.8
23P50.3Low34.2Very low105 Ų105131.3 Ų131.368%0.68276%0.759SS**  cis-121.5-179.8-17.340.8-26.5000113.9
24D29.8Very low33.3Very low146 Ų146134.8 Ų134.878%0.78176%0.761SS**  trans-155.5177.2155.7-138.3-30.8000113.9
25S32.9Very low33.4Very low101 Ų101134.1 Ų134.171%0.70676%0.761SS**  trans-153.8164.6-150.8-84.60000115.9
26H37.8Very low33.6Very low146 Ų146134.6 Ų134.668%0.67675%0.746SS**  cis-170.6171.6-27-152.5-133.7000110.2
27H35.2Very low34Very low139 Ų139136.2 Ų136.264%0.64475%0.749SS**  trans64.4163.5165.4-60.8-61.9000118.8
28H34.6Very low34.2Very low169 Ų169133.1 Ų133.178%0.78274%0.74SS**  cis-159.1151.8-21.6-118.4-44.6000112
29G28.2Very low34.1Very low65 Ų65132 Ų13267%0.6774%0.739SS**  trans74.5158.815000000117.7
30L36.6Very low34.3Very low170 Ų170133.3 Ų133.389%0.8974%0.74SS**  cis-136.9155.7-7.7-77169.9000108.8
31G31.2Very low34.5Very low70 Ų70136.9 Ų136.972%0.72274%0.742SS**  trans-116.4151.3167.100000110.7
32H34.7Very low34.5Very low194 Ų194136.4 Ų136.490%0.89874%0.744SS**  trans-133149.3168.1-98-91.8000110.5
33S29.3Very low35.1Very low111 Ų111133 Ų13378%0.77674%0.739SS**  trans-100.4160.5-167.3-157.50000113.5
34Y30.4Very low35.1Very low169 Ų169133.8 Ų133.866%0.66374%0.744SS**  trans-12.3126.2151.5-179.4-93.1000116.7
35M35Very low35.5Very low164 Ų164134.1 Ų134.181%0.80875%0.746SS**  trans-146.1144.5146.7-101.5-68.194.600110.8
36E36.8Very low35.7Very low107 Ų107137.5 Ų137.550%0.575%0.75SS.*  trans-103.2151.6177.3-179.5-174.2126.100109.6T38E36-T38 WeakPolarHBondContact OE1-CG2 3.35Å; E36-T38 PolarHBondContact OE1-OG1 3.09Å
37P40.7Very low35.9Very low126 Ų126136.3 Ų136.382%0.81875%0.753SS**  trans-119101.6158.334-21.5000111.8
38T36Very low35.9Very low109 Ų109137.6 Ų137.667%0.66977%0.765SS**  trans-88.7119.6165.60.40000109.8E36E36-T38 WeakPolarHBondContact OE1-CG2 3.35Å; E36-T38 PolarHBondContact OE1-OG1 3.09Å
39T32.4Very low36.4Very low115 Ų115135 Ų13571%0.70676%0.76SS**  trans-176.6135.814826.20000113
40Q34.1Very low36.7Very low170 Ų170140.7 Ų140.779%0.79477%0.767SS**  trans51151.6140.6-57.9172.657.600121.1
41L32.5Very low36.6Very low145 Ų145141.3 Ų141.376%0.75976%0.763SS**  cis165.8121.2-40.2-102.3170.4000106.2
42L32.3Very low36.7Very low159 Ų159145.9 Ų145.983%0.83277%0.771SS**  trans66159.7164.2-62.1155.7000118.2
43P46.6Very low36.9Very low114 Ų114145.3 Ų145.374%0.7477%0.768SS**  cis-124.5176.5-34.638.3-24.5000112.3
44P49.8Very low37.2Very low121 Ų121148.4 Ų148.479%0.78678%0.775SS**  trans-116.3112.6179.735.8-21.9000114.4
45D37.5Very low37.5Very low153 Ų153147.7 Ų147.782%0.81878%0.783SS**  trans-164.3168149.4-139.1-45.2000110.7
46E37.8Very low37.4Very low172 Ų172145 Ų14580%0.80478%0.78SS**  trans65142.6172.4-51.7-172.5-149.500116.6
47V41.5Very low37.5Very low120 Ų120149.2 Ų149.273%0.72780%0.8SS**  cis-133.1145.4-2.5-78.40000110.4
48D36.6Very low37.1Very low167 Ų167146.7 Ų146.789%0.89380%0.796SS**  trans-110.284.4173.8-169.86.6000110.7
49V44.9Very low36.8Very low114 Ų114148.3 Ų148.369%0.69180%0.801SS**  trans-143.297.3-179.4-176.20000110.8
50F34.2Very low37.5Very low185 Ų185147.5 Ų147.581%0.81180%0.797SS**  trans-171.1155.2140.3-106.9-68.5000111.3
51F35Very low37.5Very low183 Ų183150.8 Ų150.880%0.80380%0.804SS**  trans62.467.1175.4-70.4-77.1000118.4
52N33.2Very low37.9Very low166 Ų166153.6 Ų153.689%0.88881%0.806SS**  trans-130.475.8139.8-92.7-80.5000110.2
53H38Very low38.8Very low182 Ų182151.8 Ų151.884%0.84380%0.804SS**  trans-152.398.3168.2-106.2-48.6000110.2
54L36.3Very low38.2Very low175 Ų175153.1 Ų153.192%0.91681%0.805SS**  trans179.287.6152.8-104.4164.8000108.9
55D36.6Very low37.5Very low155 Ų155153.9 Ų153.983%0.82981%0.808SS**  trans-151.9106.5166.4-17010.5000109.3
56S33.7Very low37.4Very low107 Ų107150.8 Ų150.875%0.74880%0.803SS**  trans-172.358.5-178.952.20000115.3
57Q37.8Very low37.2Very low196 Ų196154.8 Ų154.892%0.91681%0.811SS**  trans-142.1135.1142.9-74.6-153.48.100108.5
58G32.1Very low36.9Very low73 Ų73153.9 Ų153.975%0.75382%0.816SS**  trans-148.7157-162.300000117.4
59N30.8Very low36.8Very low142 Ų142157.4 Ų157.476%0.75982%0.817SS**  trans67.2167.8158.7-104.7-2.8000117.6
60P46Very low36.3Very low98 Ų98158.7 Ų158.764%0.63682%0.824SS**  cis-129.2136.8-533.6-16000115.8
61Y33.4Very low36.2Very low239 Ų239155 Ų15594%0.93782%0.822SS**  trans-162.1135.2139.9-99.4-70.7000109.7
62Y40.8Very low36.1Very low205 Ų205156.1 Ų156.180%0.80482%0.822SS**  trans-88.8169.7-175.3-98.9-133.9000112.7
63P52Low36Very low121 Ų121153.9 Ų153.979%0.78682%0.819SS**  cis-131-178-10.826.5-3.1000115.9
64N34.3Very low35.7Very low141 Ų141151.6 Ų151.675%0.75481%0.809SS**  trans-88.2154.8-177.3175.56.5000114.3A66N64-A66 PolarHBondContact OD1-N 3.06Å
65T34.6Very low35.4Very low138 Ų138147.9 Ų147.985%0.84780%0.804SS**  trans-149.8125.9141-16.90000115.7
66A36.4Very low35.3Very low88 Ų88148.3 Ų148.373%0.72780%0.801SS**  trans55.6100151.600000120.9N64N64-A66 PolarHBondContact OD1-N 3.06Å
67R33.9Very low35.1Very low256 Ų256147.6 Ų147.697%0.96680%0.801SS**  trans-123130.1139.2-84.6-177.1173.2148.5-0.9109.2
68A34Very low35Very low100 Ų100149.8 Ų149.883%0.82680%0.801SS**  trans-111.5128.4168.700000109.8
69R34.7Very low35.4Very low241 Ų241154.4 Ų154.491%0.90981%0.808SS**  trans-90.9147.2160.4-80.8-176.5172.4176.5-2.2108.2
70V35Very low35.6Very low141 Ų141154.9 Ų154.986%0.85582%0.815SS**  trans-126125.6161177.20000107
71S31.2Very low34.8Very low109 Ų109154 Ų15476%0.76282%0.824SS**  trans-95.7164.9174.9-67.70000110.8
72Y33.1Very low34.8Very low206 Ų206148.1 Ų148.181%0.80881%0.813SS**  trans-68.1152.9-172.6-132.7-102.8000113.7
73S30.9Very low34.5Very low118 Ų118145.9 Ų145.983%0.82581%0.81SS**  trans-141.9146.8152.365.70000110
74Q31.8Very low33.6Very low134 Ų134145.7 Ų145.763%0.62681%0.807SS**  trans-129.4131-173.9176.481.632.800107.8
75A29.9Very low33.5Very low97 Ų97145.1 Ų145.180%0.80281%0.813SS**  trans-137.4152.5174.200000110.3
76H34.2Very low33.7Very low165 Ų165148.1 Ų148.176%0.76481%0.808SS**  trans-119.3166.2-170.9-87.1-89.4000113.2
77A31Very low34Very low92 Ų92149.2 Ų149.276%0.7681%0.808SS**  trans79.3154.4162.700000116
78R34.4Very low33.9Very low242 Ų242142.9 Ų142.991%0.91379%0.789SS**  cis-133.41701.2-88.3-164.5173.8-119.8-2.6112.3
79L40.5Very low34.1Very low170 Ų170144.8 Ų144.889%0.8979%0.785SS**  trans-79.9137167.3-72.4150.4000112.4
80T36Very low34Very low151 Ų151139.5 Ų139.593%0.92677%0.774SS**  trans-166.2165.3148.139.30000109.9
81G29.5Very low33.8Very low80 Ų80140.7 Ų140.783%0.82577%0.77SS**  trans106.680.4157.600000117.3
82T33.2Very low34Very low115 Ų115140.8 Ų140.871%0.70677%0.771SS**  trans-78.1153.3159.147.70000111
83Q34.3Very low34.9Very low158 Ų158137.1 Ų137.174%0.73877%0.772SS**  161.1148.4112.3-76.9-50.6-7.800113.5
84V32.3Very low35.1Very low117 Ų117134.3 Ų134.371%0.70976%0.762SS**  trans22.3130.6156.7-52.20000121.9
85C33.5Very low35.7Very low130 Ų130135.9 Ų135.988%0.87877%0.773SS**  -176.3155.498.2-107.30000113.4
86R38.9Very low35.8Very low200 Ų200135.6 Ų135.676%0.75576%0.764SS**  trans-138.4132.2179.7170.2-174168.9155.8-2109.6H88R86-H88 PolarHBondContact NE-CD2 3.33Å; R86-H88 PolarHBondContact NE-NE2 2.87Å; R86-H88 VanDerWaalsContact NE-NE2 3.11Å; R86-H88 PolarHBondContact NH2-NE2 3.38Å
87P42.2Very low35.9Very low112 Ų112138.8 Ų138.873%0.72777%0.77SS**  trans-130.5152.5139.841.5-31.4000110.6
88H32.3Very low36.6Very low122 Ų122140.9 Ų140.957%0.56577%0.768SS**  cis66.3125.344.9-72.1-82000110.8R86R86-H88 PolarHBondContact NE-CD2 3.33Å; R86-H88 PolarHBondContact NE-NE2 2.87Å; R86-H88 VanDerWaalsContact NE-NE2 3.11Å; R86-H88 PolarHBondContact NH2-NE2 3.38Å
89L37.3Very low36.7Very low140 Ų140136.6 Ų136.673%0.73376%0.763SS**  cis-157.2176.715.4-87.1130.5000112.5
90L32.8Very low36.3Very low130 Ų130131.7 Ų131.768%0.68175%0.754SS**  trans92.4145.2135.2-116.358.4000122.7
91H31.1Very low36.4Very low166 Ų166127.4 Ų127.477%0.76974%0.739SS**  trans74.296162-59131.5000122.3
92S34.9Very low37Very low112 Ų112133.4 Ų133.478%0.78374%0.743SS**  -90.6161.3124-50.40000108.5
93P52.5Low37.1Very low129 Ų129132.5 Ų132.584%0.83875%0.747SS**  -138.2167.774.737.1-21.5000114
94G35.4Very low37.1Very low59 Ų59129.1 Ų129.161%0.60875%0.745SS**  cis160.8-169.9-300000111.4
95I42.4Very low37.2Very low167 Ų167131.1 Ų131.186%0.85675%0.752SS**  trans69.1131.8164.2-46.3168.9000114.9
96S32.8Very low37.1Very low90 Ų90130.5 Ų130.563%0.62975%0.748SS**  cis-159.5165.2-19.6-91.80000105.9
97W36.4Very low36.9Very low232 Ų232125.9 Ų125.988%0.87975%0.753SS**  -162.4174.262.7-9077.7000112.1
98L46.3Very low36.4Very low136 Ų136128.7 Ų128.771%0.71276%0.756SS**  trans-57.7166.9-172.4-61.691.4000114.9
99D35.9Very low36.6Very low153 Ų153131.9 Ų131.982%0.81877%0.771SS**  cis-146.917319-161.412.8000114.1
100G33.2Very low36.5Very low67 Ų67133.6 Ų133.669%0.69178%0.775SS**  trans-86.2-172-179.800000115.6
101G37.2Very low36.9Very low60 Ų60136.1 Ų136.162%0.61978%0.783SS**  cis167.6147.7-600000113.7
102K41.1Very low37.1Very low207 Ų207135.8 Ų135.890%0.979%0.787SS**  trans166.7155.214362.8-167.8122-68.20111
103A35.5Very low36.9Very low96 Ų96135.2 Ų135.279%0.79379%0.788SS**  trans-86-178.3-176.300000111.7
104A34.1Very low36.3Very low86 Ų86141 Ų14171%0.71179%0.794SS**  cis-162.6-179.320.400000114.6
105L34.5Very low36.4Very low160 Ų160142.9 Ų142.984%0.83880%0.804SS**  trans75.3100.4158.4-58179.5000120.6
106S32.3Very low36.1Very low116 Ų116141.2 Ų141.281%0.81180%0.801SS**  39113.3121.4-51.90000121.9
107A33.7Very low36.6Very low103 Ų103141.2 Ų141.285%0.85180%0.801SS**  -167.1150.5119.600000111.7
108H32.9Very low37.1Very low171 Ų171136.3 Ų136.379%0.79280%0.799SS**  trans-79.2147165.3-82.6-115000110.5
109H35.9Very low36.5Very low190 Ų190139.1 Ų139.188%0.8881%0.806SS**  -171.4130.9121-102.6-72.4000110.9
110H36.4Very low36.5Very low175 Ų175137.7 Ų137.781%0.8181%0.808SS**  trans-80.3128.1169.3-85.5-92.3000110.2
111H39.6Very low36.6Very low183 Ų183144.2 Ų144.285%0.84782%0.817SS**  trans-147.5132.3154.5-125-91.8000111.2
112N36Very low36.7Very low160 Ų160147 Ų14786%0.85682%0.824SS**  trans-80.6127.3170.8-82.8-74.8000109.1
113A31.9Very low36.1Very low99 Ų99142.5 Ų142.582%0.81882%0.818SS**  trans-127.299.9177.600000110.2
114W37.9Very low36Very low252 Ų252144.2 Ų144.296%0.95581%0.814SS**  trans-127.967.5175.3-133.6-22000110.8
115A39.2Very low36Very low98 Ų98148 Ų14881%0.8182%0.816SS**  trans-144.4109.1174.100000110.7
116V35.6Very low36Very low132 Ų132149 Ų14980%0.882%0.816SS**  trans-144.3135.5172.9-97.80000106.3
117S43.1Very low36.8Very low89 Ų89149.2 Ų149.262%0.62282%0.815SS**  cis-142.6-166.5-2.4-55.20000108.9
118P47.2Very low36.6Very low129 Ų129147.8 Ų147.884%0.83881%0.81SS**  -137.2168.890.935.5-21.8000114.7
119F32.8Very low36.7Very low196 Ų196145.4 Ų145.486%0.8681%0.813SS**  trans-81.1147.2-178-80.6-107.5000113.3
120S35.6Very low36.6Very low123 Ų123141.2 Ų141.286%0.8681%0.811SS**  trans-131.6155.9148.6-81.20000109.5
121K35.9Very low36.5Very low204 Ų204138.4 Ų138.489%0.88781%0.811SS**  trans-93.4162.1-171.4-85.6-177.7175.9-178.60113.3
122P40.3Very low37.1Very low119 Ų119135.8 Ų135.877%0.77381%0.81SS**  trans-95155.6-162.436.9-37000116
123S27.7Very low36.9Very low111 Ų111131.7 Ų131.778%0.77681%0.806SS**  trans-169.9153157.9-77.60000106.9
124L33.8Very low36.9Very low133 Ų133131.3 Ų131.370%0.69680%0.803SS**  cis-154.8165.4-16.6-103.1161.6000104.5
125H33.6Very low36.8Very low165 Ų165127.2 Ų127.276%0.76480%0.799SS**  176.1155.776.8-90.4-82.2000110.5
126H34.6Very low36.5Very low181 Ų181127.6 Ų127.684%0.83880%0.795SS**  trans-92.8159.2154.7-97.1-106.1000110.3
127P48.3Very low36.4Very low121 Ų121125.5 Ų125.579%0.78679%0.792SS**  trans-89.8140.2-175.834.3-34.5000114.9
128G30.4Very low35.9Very low72 Ų72128.1 Ų128.174%0.74280%0.804SS**  trans77.5114.7138.700000120.6
129S34.8Very low35.2Very low122 Ų122132.3 Ų132.385%0.85381%0.805SS**  171.6162.1110.147.90000113.2
130A33.9Very low36.1Very low101 Ų101127.9 Ų127.984%0.83580%0.796SS**  trans70.3138169.500000119.9
131S34.4Very low35.7Very low117 Ų117127.6 Ų127.682%0.81879%0.793SS**  trans-120.5-167.5176.9-44.40000108
132P51.7Low35.5Very low127 Ų127123.1 Ų123.183%0.82579%0.787SS**  cis-136.6178.7-6.141.9-24.3000116
133G31.9Very low35.1Very low75 Ų75122.8 Ų122.877%0.77379%0.787SS**  trans106.9143.2162.300000114.9
134A32.8Very low35.3Very low91 Ų91125 Ų12575%0.75279%0.791SS**  cis-158.3155.2-7.600000110.5
135L34.7Very low35.4Very low165 Ų165123 Ų12386%0.86479%0.788SS**  trans32141.4152.2-51.4172.2000120.3
136S32.7Very low35.5Very low106 Ų106122.8 Ų122.874%0.74179%0.792SS**  cis-173.8170.5-7.2-102.10000109.8
137A35Very low35.6Very low89 Ų89119 Ų11974%0.73679%0.792SS**  trans-29.7172.1168.400000119.5
138V32.6Very low35.1Very low144 Ų144117 Ų11787%0.87379%0.786SS**  cis-151.7160.431.4-1520000113.8
139Y31.7Very low35.3Very low216 Ų216120.5 Ų120.585%0.84779%0.793SS**  trans-76.7-172.5162.6-94.1-84.5000112.2
140P51.4Low35.4Very low104 Ų104119.3 Ų119.368%0.67579%0.791SS**  cis-137174.9-15.827.6-4.1000117.1
141C28Very low35.6Very low117 Ų117120 Ų12079%0.79179%0.789SS**  trans63.2129.7138.5-77.40000126
142S30.8Very low35.6Very low109 Ų109119.3 Ų119.376%0.76279%0.785SS**  98.1139.9124.8-70.80000123.9
143S32.8Very low34.8Very low113 Ų113121.1 Ų121.179%0.7979%0.786SS**  trans81.293.9146.2-62.90000123.1
144N31.3Very low35Very low158 Ų158123.7 Ų123.785%0.84579%0.787SS**  61.5142.8113.5-126.436.7000124.5
145S37.3Very low36.2Very low91 Ų91124.9 Ų124.964%0.63679%0.787SS**  trans92.5109144.671.10000123.7
146N35.2Very low36.9Very low160 Ų160122.1 Ų122.186%0.85678%0.779SS**  66145.5124.1-63.4-1.2000125.6
147A37Very low37Very low101 Ų101121.9 Ų121.984%0.83578%0.778SS**  trans76.7148.3150.300000118.9
148A36.9Very low36.8Very low79 Ų79125.8 Ų125.865%0.65378%0.78SS**  cis-165.6178.1-10.200000112.6
149T35.6Very low36.9Very low146 Ų146125.2 Ų125.290%0.89678%0.777SS**  trans68.6152.8154.742.70000119.6
150A35.1Very low37Very low97 Ų97122.2 Ų122.280%0.80278%0.776SS**  cis-146.9173.82.200000113.6
151S37.9Very low36.3Very low114 Ų114122.5 Ų122.580%0.79778%0.781SS**  trans-83.7-174.2171.3-46.20000112.2
152S34.9Very low36.8Very low104 Ų104125 Ų12573%0.72778%0.78SS**  cis-15317915.3-69.30000108.5
153L35.3Very low37.2Very low165 Ų165127 Ų12786%0.86478%0.782SS**  -165.2-175.250.3-83171.2000111.6
154T36.8Very low37.4Very low129 Ų129131.7 Ų131.779%0.79178%0.784SS**  trans-132-166.9-17561.20000111.1
155P56.3Low37.6Very low115 Ų115130.9 Ų130.975%0.74778%0.784SS**  cis-118.5-123.9-20.630-5.4000109
156P51.2Low37.8Very low107 Ų107135.3 Ų135.370%0.69579%0.793SS**  cis-134.3169.1-33.838.4-19.9000117.7
157S33.3Very low38.5Very low102 Ų102133.1 Ų133.171%0.71379%0.787SS**  trans58.5110.8140.3-69.70000125.8
158Q32.2Very low39.1Very low170 Ų170134.5 Ų134.579%0.79479%0.787SS**  118.2141.1105.5-91-165.939.800123.4
159T34.2Very low39.4Very low132 Ų132137 Ų13781%0.8179%0.794SS**  trans87.2160.7162.765.30000121.1
160N32.9Very low39.8Very low154 Ų154135.5 Ų135.582%0.82479%0.788SS**  trans-115155.6-159.8-64.5-69.6000113.1
161S36.6Very low40.5Very low110 Ų110137.1 Ų137.177%0.76979%0.79SS**  152.5144103.661.80000117
162H39.4Very low40.4Very low168 Ų168141.1 Ų141.178%0.77879%0.793SS**  trans58.1122.6145-94-129.2000124.9
163L39.7Very low40.5Very low151 Ų151144.2 Ų144.279%0.79180%0.801SS**  trans89.7149.5138.8-66.5168.5000121.7
164Y36Very low40.6Very low213 Ų213142.9 Ų142.984%0.83580%0.8SS**  trans-91.8150.9-171.6-70.4-98.5000112.8
165T34.9Very low40.6Very low140 Ų140141.8 Ų141.886%0.85980%0.798SS**  trans-131.3136.2165.7-67.10000110.5
166F41.5Very low40.3Very low185 Ų185142 Ų14281%0.81180%0.799SS**  trans-106.6150.1167.3-86.1-90.8000110
167P50.4Low39.7Very low114 Ų114144 Ų14474%0.7480%0.804SS**PPolyproline II helixtrans-76.1157.6-176.830.9-35.8000114.1
168P50.3Low40.5Very low129 Ų129145.1 Ų145.184%0.83881%0.809SS**PPolyproline II helixtrans-87172.3-16835.4-38.2000115.7
169T43.7Very low40.6Very low131 Ų131140.7 Ų140.780%0.80481%0.809SS**PPolyproline II helixtrans-103155.3176.549.30000113.3
170P43.5Very low40.9Very low116 Ų116139.1 Ų139.175%0.75381%0.809SS**PPolyproline II helixtrans-74.9162.6-176.631-36.7000114.6
171P48.8Very low40.9Very low130 Ų130140.3 Ų140.384%0.84481%0.813SS**  trans-81.2-178.7-171.934.6-38.2000114.8
172K37.2Very low40.7Very low198 Ų198140.6 Ų140.686%0.86182%0.815SS**  trans-119.3146.6174.1-66.2177.8178176.70110.8
173D35.8Very low41.1Very low169 Ų169138.1 Ų138.190%0.90481%0.814SS**  trans-71.2162.7171.2-61.1-84000113.8
174V37.3Very low40.7Very low137 Ų137136.2 Ų136.283%0.8381%0.813SS**  trans-117.5144.1-171.8170.90000110.6
175S36.7Very low40.6Very low107 Ų107131.3 Ų131.375%0.74881%0.811SS**  trans-91.9141.5173.4-167.70000111.2
176P50.8Low40.4Very low119 Ų119129.6 Ų129.677%0.77381%0.81SS**  trans-88.5154.5167.435.7-33.2000112.3
177D37.7Very low39.9Very low149 Ų149125.3 Ų125.380%0.79781%0.809SS**  trans-154.8138.1166.8-175.2-54000106.3
178P51.8Low38.9Very low126 Ų126124 Ų12482%0.81881%0.808SS**  trans-145.1136.5147.535.3-19.1000115.9
179G33.6Very low38Very low77 Ų77121 Ų12179%0.79479%0.794SS**  trans129.1123.2135.800000116.2
180A39.9Very low37.6Very low99 Ų99125.4 Ų125.482%0.81880%0.796SS**  trans-131.7141.2177.500000111.8
181I32.8Very low37.1Very low178 Ų178127.6 Ų127.691%0.91380%0.798SS**  trans-156.4150.2158.821.4173.4000111.5
182S33.8Very low36.4Very low116 Ų116128.5 Ų128.581%0.81180%0.796SS**  trans-120.2168.7171.2-770000107.6
183P47Very low36.2Very low116 Ų116127 Ų12775%0.75379%0.791SS**  cis-144.4-172.227.343-22.2000117.3
184S31Very low36.3Very low111 Ų111126.5 Ų126.578%0.77678%0.781SS**  trans8.4138.8147.8-52.80000119.3
185S34.6Very low36.1Very low111 Ų111126.7 Ų126.778%0.77677%0.773SS**  cis-172.4161.425.336.50000112.9
186A31.2Very low35.7Very low103 Ų103126.3 Ų126.385%0.85177%0.771SS**  trans61.3140.6163.600000117.8
187A29.2Very low35.1Very low96 Ų96128 Ų12879%0.79377%0.772SS**  cis-157.6177.716.300000113.6
188A30.9Very low34.7Very low87 Ų87130.3 Ų130.372%0.71977%0.774SS**  trans77.494.515300000122
189A31.5Very low33.6Very low64 Ų64134 Ų13453%0.52977%0.773SS.*  trans66.213314700000118.6
190R34.5Very low33.2Very low225 Ų225138 Ų13885%0.84977%0.772SS**  cis-129.9170.144.1-41.1-63.7121.8150-2.3114.1
191M32.9Very low32.6Very low162 Ų162140.4 Ų140.480%0.79877%0.77SS**  trans-83.8147-177.5-26.8-51.5-176.600110.4
192D34.9Very low32.5Very low149 Ų149136.1 Ų136.180%0.79776%0.756SS**  79.9141.259-139.8-138.9000112.4
193E32.3Very low32.3Very low165 Ų165138.3 Ų138.377%0.77176%0.757SS**  cis-145.8-166.62.6-153.1-154.4158.200110.4
194K37.1Very low32.5Very low159 Ų159138 Ų13869%0.69176%0.756SS**  trans-147.4136173-172.3-138.7-177.3-157.70112.2
195E35Very low32.5Very low142 Ų142139 Ų13966%0.66475%0.752SS**  trans102.5162.5155.3-150.4150.3120.300118.8
196S28.2Very low32.4Very low99 Ų99137.7 Ų137.769%0.69274%0.743SS**  trans93.574.1166.3-51.10000121.8
197I36.7Very low32.6Very low155 Ų155140.9 Ų140.980%0.79574%0.742SS**  44.9112.2121.9-52.8158.2000119.8
198K30.4Very low32.7Very low196 Ų196145.8 Ų145.885%0.85275%0.746SS**  trans-167121.8132.8-119176.6177.8178.20116.6
199Y28.3Very low32.8Very low203 Ų203148.5 Ų148.580%0.79675%0.745SS**  trans35.9125.1134.8-81.3-95.1000124.1
200Q25.3Very low32.7Very low162 Ų162151.8 Ų151.876%0.75775%0.75SS**  117.8114.5119.6-153.6164.2-23.400120.8
201L27.2Very low32.4Very low149 Ų149148.6 Ų148.678%0.7875%0.749SS**  trans39.4152150.6-78.587000122
202S30.8Very low32.2Very low88 Ų88145 Ų14562%0.61574%0.74SS**  cis-175.5139-16.5-100.50000112
203L30.2Very low31.9Very low162 Ų162143.3 Ų143.385%0.84874%0.74SS**  trans50.6167.3146.6-70.8170.2000121.4
204P51.3Low33.2Very low111 Ų111140.8 Ų140.872%0.72174%0.738SS**  cis-112.2-157-18.640-23.4000109.9
205D29.8Very low33Very low130 Ų130141.2 Ų141.270%0.69575%0.747SS**  cis-155.9148.63.9-166.4-111.3000111.3
206S32Very low32.9Very low85 Ų85145.4 Ų145.459%0.59476%0.757SS**  trans53.9170.4160.4-70.50000120
207M36.5Very low33Very low169 Ų169144.5 Ų144.583%0.83375%0.751SS**  cis-161.2154.6-47.168.2173.673.700106.9
208K31.2Very low32.7Very low200 Ų200142.1 Ų142.187%0.8775%0.748SS**  cis-152.5160.8-16.7165.7177.6174.8-170.10106.5
209M33.9Very low33Very low143 Ų143140.4 Ų140.470%0.70475%0.747SS**  trans-137179.8-177.158.9-172.3-84.400115
210E27.8Very low33.4Very low134 Ų134134.7 Ų134.763%0.62674%0.742SS**  trans71.8140.9173.2-64.617975.700117.8S212E210-S212 PolarHBondContact OE1-OG 3.19Å
211D28.7Very low33.8Very low157 Ų157132 Ų13284%0.8474%0.741SS**  cis77.1-178.421-149.2-8.9000114.9
212S28.2Very low34.2Very low87 Ų87132.8 Ų132.861%0.60874%0.743SS**  trans86.3153178.7-720000117.6E210E210-S212 PolarHBondContact OE1-OG 3.19Å
213S28.1Very low34.2Very low114 Ų114134.2 Ų134.280%0.79775%0.753SS**  trans-120.9-119.9-161.1-70.50000116.1
214P60.9Low34.2Very low112 Ų112130.5 Ų130.573%0.72775%0.745SS**  trans-126.7-177.3-132.735.6-14.4000117.3
215L33.5Very low33.3Very low167 Ų167134.7 Ų134.787%0.87476%0.755SS**  trans119.4173.9154.2-58.8-180000117.9
216R31.4Very low33.4Very low230 Ų230134.8 Ų134.887%0.86876%0.761SS**  trans-95178.8-169.2-49.6171.664.3-175.72.1110.5
217S30.1Very low33.8Very low81 Ų81136.9 Ų136.957%0.56677%0.772SS**  cis-174.3162.922.3-160.40000112.8
218S31.7Very low33.6Very low104 Ų104134.1 Ų134.173%0.72777%0.769SS**  trans73.9157.6153.6-47.70000117.8
219L36.9Very low33.6Very low161 Ų161130.9 Ų130.984%0.84377%0.767SS**  cis-159.4160.1-2.5-153.177.2000112.3
220A35Very low33.5Very low83 Ų83131.7 Ų131.769%0.68677%0.769SS**  trans61.7147.2160.100000119.5
221S34.3Very low33.9Very low106 Ų106132 Ų13274%0.74177%0.769SS**  cis88.8144.620.9-500000115.3
222M35.4Very low34.6Very low164 Ų164130 Ų13081%0.80877%0.765SS**  cis-151.4162.621.5-56.6-87.7-162.600113.8
223S30.8Very low35Very low119 Ų119132.9 Ų132.983%0.83277%0.772SS**  trans55.8159.9144.759.80000123.4
224A31.4Very low35.7Very low83 Ų83132.9 Ų132.969%0.68677%0.769SS**  cis179.9150.9-28.200000111.1
225Q31.5Very low34.6Very low200 Ų200133.1 Ų133.194%0.93577%0.769SS**  trans163172.4131.7-88.6176.296.200114.6
226T32.7Very low34.4Very low132 Ų132136 Ų13681%0.8177%0.77SS**  trans-105.3170.4-160.659.70000114.2
227P39.3Very low34.7Very low128 Ų128128.7 Ų128.783%0.83176%0.759SS**  -141.1-178.688.636.6-19.2000115.4
228S33.5Very low35.7Very low111 Ų111129.7 Ų129.778%0.77676%0.763SS**  trans-70.4159.7-170.8-480000116.8
229T31.1Very low35.7Very low133 Ų133136.1 Ų136.182%0.81677%0.773SS**  178.5124.5114.7-74.10000113.8
230H32.1Very low35.7Very low160 Ų160133.1 Ų133.174%0.74177%0.766SS**  trans48.7163.8157.3-101.5-140000124.5
231H35.3Very low35.8Very low139 Ų139136.1 Ų136.164%0.64477%0.77SS**  trans-89.6177.6-177.852.1-120.9000111.8
232P42.7Very low35.6Very low115 Ų115138.1 Ų138.175%0.74777%0.767SS**  cis-144.1-171.22543.2-21.5000118.3
233I38.3Very low35.8Very low149 Ų149134 Ų13476%0.76476%0.759SS**  trans-94.3137.6176.7-56.6166.1000110.7
234P41.1Very low36.1Very low113 Ų113131.4 Ų131.473%0.73475%0.745SS**  trans-128.8134.713334-23.5000110.1
235T38.4Very low36.3Very low117 Ų117135.6 Ų135.672%0.71875%0.75SS**  cis6790.237.7-49.70000114.1
236Y30.4Very low36.3Very low227 Ų227132.4 Ų132.489%0.8974%0.739SS**  -145.3162.1128.8-142.7-97.6000111.1
237A37.5Very low36.4Very low78 Ų78136.7 Ų136.765%0.64574%0.742SS**  trans-139.1-132.8-171.800000111.9
238P50.6Low36Very low101 Ų101134.3 Ų134.366%0.65674%0.741SS**  -118.4-176.5-100.336.2-22000113.6
239Y32.1Very low36.5Very low239 Ų239132.9 Ų132.994%0.93774%0.744SS**  trans-117.7125.9156.9-85.8-79.4000111.6
240S37.1Very low36.7Very low99 Ų99131.7 Ų131.769%0.69274%0.741SS**  trans-100179.4167.6-56.70000108.2
241L35.4Very low37.1Very low146 Ų146131.5 Ų131.576%0.76474%0.744SS**  cis-143.5-172.324.9-85.6161.3000108.6
242Q31.4Very low37.3Very low147 Ų147134.1 Ų134.169%0.68775%0.754SS**  cis-149123.615.5-17278.215.100105.7
243A38.5Very low37Very low77 Ų77137.7 Ų137.764%0.63676%0.761SS**  69.8149.368.400000113.3
244A38.8Very low37.4Very low65 Ų65136.1 Ų136.154%0.53776%0.76SS.*  cis-163.3178.716.600000114
245H35Very low37.1Very low172 Ų172134.1 Ų134.180%0.79676%0.76SS**  trans75.5136.1155.3-58-53.4000119.1
246D31.2Very low36.9Very low132 Ų132134.1 Ų134.171%0.70676%0.764SS**  cis-149.4-172.3-5-143.1-102.5000115.9
247Y34.6Very low37.6Very low223 Ų223130.4 Ų130.488%0.87576%0.759SS**  trans-81168.7-164.4-101.8-114.7000116.1
248G31Very low37.8Very low77 Ų77135 Ų13579%0.79477%0.772SS**  trans139.4111.214000000115.9
249G44.9Very low36.8Very low82 Ų82133.7 Ų133.785%0.84578%0.777SS**  trans-134.2118165.200000110.5
250S34.6Very low37Very low107 Ų107128.1 Ų128.175%0.74877%0.773SS**  trans-159.7138.8171.5-163.20000112.5
251L40.7Very low37.3Very low156 Ų156129.3 Ų129.382%0.81778%0.781SS**  trans33.3137.4149.1-60.2172.4000122.1
252F38.6Very low37.8Very low194 Ų194127.9 Ų127.985%0.85178%0.781SS**  trans-48145.9165.9-56.1-100.2000113.9
253H37.2Very low38Very low191 Ų191124 Ų12488%0.88478%0.78SS**  trans-150161.7137.2-104.275.3000109.8
254P46Very low38Very low116 Ų116130.5 Ų130.575%0.75379%0.794SS**  trans-108155-16138.8-32.7000115.7
255G34.4Very low38.1Very low70 Ų70131.8 Ų131.872%0.72280%0.796SS**  trans96.7131145.600000117.9
256S34Very low38.5Very low117 Ų117132.5 Ų132.582%0.81880%0.799SS**  trans91139.8170.8-46.60000116.9
257L45.3Very low38.8Very low149 Ų149133.7 Ų133.778%0.7880%0.798SS**  cis-159.5158-15.5-113.1174.8000108.4
258L41.6Very low39.3Very low176 Ų176128.4 Ų128.492%0.92179%0.793SS**  trans68.6150.1173.7-54.6151.1000116.4
259G30.6Very low39.5Very low72 Ų72134.3 Ų134.374%0.74280%0.797SS**  trans133.464.1161.100000120.1
260S37Very low39.3Very low122 Ų122135.8 Ų135.885%0.85380%0.795SS**  trans53.996.3144-55.30000121.4
261S43.4Very low39.8Very low124 Ų124140.1 Ų140.187%0.86780%0.8SS**PPolyproline II helixtrans-80.4129.6159.7-59.20000112.7
262P44.7Very low39.7Very low117 Ų117136.8 Ų136.876%0.7680%0.795SS**PPolyproline II helixtrans-87.7116.816432.1-29.7000110.9F264P262-F264 PolarHBondContact O-N 3.26Å
263G35Very low40.1Very low66 Ų66138.3 Ų138.368%0.6880%0.795SS**PPolyproline II helixtrans-64.4131.2-174.900000114.6T265G263-T265 VanDerWaalsContact C-N 3.33Å; G263-T265 PolarHBondContact O-N 3.33Å
264F39.2Very low40.4Very low212 Ų212134.7 Ų134.793%0.9379%0.791SS**  trans-70.683.9174.6-110.4-95.2000111.5P262 H266P262-F264 PolarHBondContact O-N 3.26Å; F264-H266 PolarHBondContact O-N 3.4Å; F264-H266 VanDerWaalsContact O-N 3.1Å
265T42Very low40.5Very low92 Ų92133.5 Ų133.556%0.56479%0.785SS**  trans-60.7113.2169.4310000109.8G263 K267G263-T265 VanDerWaalsContact C-N 3.33Å; G263-T265 PolarHBondContact O-N 3.33Å; T265-K267 WeakPolarHBondContact O-CD 3.11Å; T265-K267 VanDerWaalsContact O-CE 3.24Å; T265-K267 WeakPolarHBondContact O-CE 3.22Å; T265-K267 PolarHBondContact O-N 3.4Å; T265-K267 PolarHBondContact OG1-NZ 3.46Å
266H43Very low41.5Very low187 Ų187134 Ų13487%0.86677%0.774SS**  trans-78.558-172.4-154.6-90.7000112.3F264 S268F264-H266 PolarHBondContact O-N 3.4Å; F264-H266 VanDerWaalsContact O-N 3.1Å; H266-S268 PolarHBondContact O-N 3.37Å
267K36.7Very low42.9Very low157 Ų157137 Ų13768%0.68378%0.775SS**  trans-53.9128.1174.431.2-106.4172.8-179.40110.1T265 K269T265-K267 WeakPolarHBondContact O-CD 3.11Å; T265-K267 VanDerWaalsContact O-CE 3.24Å; T265-K267 WeakPolarHBondContact O-CE 3.22Å; T265-K267 PolarHBondContact O-N 3.4Å; T265-K267 PolarHBondContact OG1-NZ 3.46Å; K267-K269 PolarHBondContact O-N 3.43Å
268S45.1Very low44.4Very low112 Ų112133.4 Ų133.478%0.78377%0.774SS**  trans-58.297178.139.20000110.2H266 S270H266-S268 PolarHBondContact O-N 3.37Å; S268-S270 VanDerWaalsContact C-N 3.3Å; S268-S270 PolarHBondContact O-N 3.33Å
269K34.7Very low46.7Very low202 Ų202128.6 Ų128.688%0.87874%0.744SS**  trans-75.284.1-173.9-165.3164.8-172.7170.80110.1K267 K271K267-K269 PolarHBondContact O-N 3.43Å; K269-K271 PolarHBondContact O-N 2.99Å
270S41.3Very low49.7Very low112 Ų112127.9 Ų127.978%0.78372%0.721SS**  trans-37.9106.1173.2-64.20000110.4S268 A272S268-S270 VanDerWaalsContact C-N 3.3Å; S268-S270 PolarHBondContact O-N 3.33Å; S270-A272 PolarHBondContact O-N 3.04Å
271K44.7Very low52.4Low199 Ų199122.1 Ų122.187%0.86568%0.68SS**  trans-59.4117.7-164.4-167.1164.1-175169.10109.5K269 R273K269-K271 PolarHBondContact O-N 2.99Å; K271-R273 PolarHBondContact O-N 3.24Å
272A39.5Very low54.7Low86 Ų86120 Ų12071%0.71166%0.662SS**  trans-60.3109.3-158.300000112.7S270 S274S270-A272 PolarHBondContact O-N 3.04Å; A272-S274 PolarHBondContact O-N 3.43Å
273R46.2Very low56.9Low225 Ų225115.5 Ų115.585%0.84963%0.632SS**  trans-75.41.9167-58.5-163.5-165.4-1767.9112.9K271 C275 T276K271-R273 PolarHBondContact O-N 3.24Å; R273-C275 PolarHBondContact O-N 3.21Å; R273-T276 PolarHBondContact O-OG1 2.93Å
274S45.1Very low59.6Low116 Ų116113.7 Ų113.781%0.81161%0.608SS**THydrogen-bonded Turntrans-76.745.3-172.7-151.90000114.3A272A272-S274 PolarHBondContact O-N 3.43Å
275C48Very low62Low90 Ų90104.6 Ų104.661%0.60857%0.574SS**THydrogen-bonded Turntrans-157.21.7175.1-152.70000114.4R273 R279R273-C275 PolarHBondContact O-N 3.21Å; C275-R279 PolarHBondContact O-NE 3.39Å; C275-R279 PolarHBondContact O-NH2 3.14Å
276T54.7Low64.3Low81 Ų81101.7 Ų101.750%0.49756%0.559SS.*SBendtrans-83-28170.145.10000112.3R273 G278 R279R273-T276 PolarHBondContact O-OG1 2.93Å; T276-G278 PolarHBondContact O-N 3.45Å; T276-G278 VanDerWaalsContact O-N 3.17Å; T276-R279 PolarHBondContact O-N 3.28Å
277E63.7Low66.6Low180 Ų18097.4 Ų97.484%0.84155%0.546SS*.THydrogen-bonded Turntrans-62.5110.7179.7-147.859.9-112.800110.8
278G76.9Confident69.2Low74 Ų7494.4 Ų94.476%0.76355%0.546SS*.THydrogen-bonded Turntrans110.5-7.1177.300000117.1T276 E280T276-G278 PolarHBondContact O-N 3.45Å; T276-G278 VanDerWaalsContact O-N 3.17Å; G278-E280 PolarHBondContact O-N 2.96Å
279R89.9Confident71.5Confident75 Ų7590.5 Ų90.528%0.28352%0.517SS..  trans-81.1105168.1-77.8-179.5-101.2-166.6-7.5109.9C275 T276 T287 W292 Y300C275-R279 PolarHBondContact O-NE 3.39Å; C275-R279 PolarHBondContact O-NH2 3.14Å; T276-R279 PolarHBondContact O-N 3.28Å; R279-T287 WeakPolarHBondContact O-CA 3.34Å; R279-W292 HydrophobicContact CB-CH2 3.93Å; R279-W292 HydrophobicContact CB-CZ2 3.6Å; R279-W292 WeakPolarHBondContact O-CH2 3.44Å; R279-W292 VanDerWaalsContact O-CZ2 3.26Å; R279-W292 WeakPolarHBondContact O-CZ2 3.45Å; R279-Y300 HydrophobicContact CG-CD2 4.38Å; R279-Y300 HydrophobicContact CG-CE2 4.34Å; R279-Y300 HydrophobicContact CG-CG 4.49Å
280E93.2Very high74.2Confident57 Ų5786.9 Ų86.927%0.26651%0.514SS..  trans-103.2142.9164.383.6163.8121.700111.3G278 V282 G285 T287 K322 R324G278-E280 PolarHBondContact O-N 2.96Å; E280-V282 PolarHBondContact O-N 3.42Å; E280-G285 VanDerWaalsContact OE2-CA 3.3Å; E280-G285 WeakPolarHBondContact OE2-CA 3.43Å; E280-T287 HydrophobicContact CB-CG2 4.32Å; E280-K322 IonicContact OE2-NZ 3.69Å; E280-K322 PolarHBondContact OE2-NZ 3.35Å; E280-R324 IonicContact OE1-CZ 2.73Å; E280-R324 IonicContact OE1-NE 2.69Å; E280-R324 IonicContact OE1-NH2 3.66Å; E280-R324 PolarHBondContact OE1-NH2 3.3Å
281C93.7Very high76.8Confident0 Ų085.6 Ų85.60%050%0.498CS..  trans-66.4124.8170.7170.90000110.9N283 C284 G285 A286 W292 Y300 C302C281-N283 VanDerWaalsContact C-N 3.27Å; C281-N283 PolarHBondContact O-N 3.21Å; C281-C284 VanDerWaalsContact SG-SG 3.64Å; C281-G285 VanDerWaalsContact O-CA 3.26Å; C281-G285 WeakPolarHBondContact O-CA 3.42Å; C281-G285 PolarHBondContact O-N 2.98Å; C281-A286 HydrophobicContact CB-CB 4.49Å; C281-A286 PolarHBondContact N-O 3.19Å; C281-W292 HydrophobicContact CB-CZ3 4.17Å; C281-Y300 WeakPolarHBondContact CA-O 3.48Å; C281-C302 HydrophobicContact CB-CB 4Å; C281-C302 PolarHBondContact SG-N 3.08Å
282V92.5Very high79.2Confident79 Ų7979 Ų7948%0.47947%0.468SS..THydrogen-bonded Turntrans-61.8-32.4-176.1-61.50000113.7E280 H299 Y300 L301E280-V282 PolarHBondContact O-N 3.42Å; V282-H299 HydrophobicContact CG1-CB 4.02Å; V282-H299 HydrophobicContact CG2-CB 3.88Å; V282-Y300 PolarHBondContact N-O 2.66Å; V282-L301 HydrophobicContact CG2-CD2 3.68Å
283N91Very high81.8Confident24 Ų2479.1 Ų79.113%0.12845%0.45CS..THydrogen-bonded Turntrans-73-64.4175.7174.4-77.7000111.5C281 L301 C305 N315 R316 L318C281-N283 VanDerWaalsContact C-N 3.27Å; C281-N283 PolarHBondContact O-N 3.21Å; N283-L301 HydrophobicContact CB-CD2 3.98Å; N283-C305 HydrophobicContact CB-CB 4.11Å; N283-C305 PolarHBondContact OD1-SG 3.38Å; N283-N315 WeakPolarHBondContact ND2-CB 3.46Å; N283-N315 PolarHBondContact ND2-OD1 3.29Å; N283-R316 PolarHBondContact ND2-N 3.02Å; N283-L318 WeakPolarHBondContact OD1-CD1 3.47Å
284C90.3Very high84.2Confident28 Ų2875.4 Ų75.419%0.18944%0.436CS..THydrogen-bonded Turntrans-100.9-22.2-168.972.20000115.4C281 A286 C305 L318C281-C284 VanDerWaalsContact SG-SG 3.64Å; C284-A286 VanDerWaalsContact SG-CB 3.6Å; C284-A286 PolarHBondContact SG-N 3.25Å; C284-A286 VanDerWaalsContact SG-N 3.42Å; C284-C305 VanDerWaalsContact SG-SG 3.66Å; C284-L318 HydrophobicContact CB-CD1 4.02Å; C284-L318 HydrophobicContact CB-CD2 4.14Å; C284-L318 HydrophobicContact CB-CG 4.45Å
285G89.3Confident86.4Confident20 Ų2071.8 Ų71.821%0.20641%0.407CS..  trans82.611.5-174.800000116.7E280 C281 T287 K322E280-G285 VanDerWaalsContact OE2-CA 3.3Å; E280-G285 WeakPolarHBondContact OE2-CA 3.43Å; C281-G285 VanDerWaalsContact O-CA 3.26Å; C281-G285 WeakPolarHBondContact O-CA 3.42Å; C281-G285 PolarHBondContact O-N 2.98Å; G285-T287 PolarHBondContact O-N 2.95Å; G285-K322 VanDerWaalsContact N-NZ 3.16Å
286A90.8Very high88.3Confident31 Ų3173.8 Ų73.826%0.25642%0.422SS..  trans-58.6124.5169.400000109.4C281 C284 S288 W292 C302C281-A286 HydrophobicContact CB-CB 4.49Å; C281-A286 PolarHBondContact N-O 3.19Å; C284-A286 VanDerWaalsContact SG-CB 3.6Å; C284-A286 PolarHBondContact SG-N 3.25Å; C284-A286 VanDerWaalsContact SG-N 3.42Å; A286-S288 WeakPolarHBondContact CB-O 3.34Å; A286-W292 WeakPolarHBondContact O-CH2 3.3Å; A286-C302 HydrophobicContact CB-CB 4.29Å
287T92.3Very high90.2Very high97 Ų9774.7 Ų74.760%0.59543%0.428SS*.SBendtrans-88.8-17.1174.348.60000112.3R279 E280 G285R279-T287 WeakPolarHBondContact O-CA 3.34Å; E280-T287 HydrophobicContact CB-CG2 4.32Å; G285-T287 PolarHBondContact O-N 2.95Å
288S90.6Very high91.5Very high95 Ų9567.6 Ų67.666%0.66440%0.403SS*.  trans-119.2149.3170.559.70000110.5A286A286-S288 WeakPolarHBondContact CB-O 3.34Å
289T93Very high92.3Very high30 Ų3068.3 Ų68.318%0.18439%0.386CS..  trans-164.6143.3178.6175.40000108.5L291 W292 C302 N303T289-L291 VanDerWaalsContact CG2-O 3.27Å; T289-L291 WeakPolarHBondContact CG2-O 3.28Å; T289-L291 PolarHBondContact O-N 3.3Å; T289-L291 PolarHBondContact OG1-N 3.32Å; T289-L291 PolarHBondContact OG1-O 2.96Å; T289-W292 HydrophobicContact CG2-CD2 3.35Å; T289-W292 HydrophobicContact CG2-CE3 3.75Å; T289-W292 HydrophobicContact CG2-CG 3.73Å; T289-W292 HydrophobicContact CG2-CH2 4.08Å; T289-W292 HydrophobicContact CG2-CZ2 3.73Å; T289-W292 HydrophobicContact CG2-CZ3 4.1Å; T289-C302 HydrophobicContact CG2-CB 4.12Å; T289-C302 WeakPolarHBondContact OG1-CA 3.38Å; T289-C302 WeakPolarHBondContact OG1-CB 3.37Å; T289-N303 PolarHBondContact OG1-N 3.45Å
290P92.7Very high92.5Very high125 Ų12568.5 Ų68.581%0.81239%0.387SS*.SBendtrans-64.5-25.7177.425.9-35.1000112.6N303P290-N303 HydrophobicContact CG-CB 4.31Å
291L94.4Very high92.6Very high86 Ų8666.3 Ų66.345%0.4538%0.378SS..SBendtrans-143.1135.8171.9179.862.5000110.1T289 N303T289-L291 VanDerWaalsContact CG2-O 3.27Å; T289-L291 WeakPolarHBondContact CG2-O 3.28Å; T289-L291 PolarHBondContact O-N 3.3Å; T289-L291 PolarHBondContact OG1-N 3.32Å; T289-L291 PolarHBondContact OG1-O 2.96Å; L291-N303 HydrophobicContact CB-CB 4.14Å; L291-N303 PolarHBondContact O-N 3.09Å; L291-N303 VanDerWaalsContact O-N 3.09Å
292W95.5Very high92.7Very high61 Ų6166.8 Ų66.823%0.23138%0.38CS..EExtended strand (participates in β ladder)trans-87.6132.3166.7-75.8106.4000109.7R279 C281 A286 T289 Y300R279-W292 HydrophobicContact CB-CH2 3.93Å; R279-W292 HydrophobicContact CB-CZ2 3.6Å; R279-W292 WeakPolarHBondContact O-CH2 3.44Å; R279-W292 VanDerWaalsContact O-CZ2 3.26Å; R279-W292 WeakPolarHBondContact O-CZ2 3.45Å; C281-W292 HydrophobicContact CB-CZ3 4.17Å; A286-W292 WeakPolarHBondContact O-CH2 3.3Å; T289-W292 HydrophobicContact CG2-CD2 3.35Å; T289-W292 HydrophobicContact CG2-CE3 3.75Å; T289-W292 HydrophobicContact CG2-CG 3.73Å; T289-W292 HydrophobicContact CG2-CH2 4.08Å; T289-W292 HydrophobicContact CG2-CZ2 3.73Å; T289-W292 HydrophobicContact CG2-CZ3 4.1Å; W292-Y300 HydrophobicContact CE3-CD1 4.47Å
293R95.1Very high92.9Very high87 Ų8764.9 Ų64.933%0.32837%0.368SS..EExtended strand (participates in β ladder)trans-114160.6171.8-64.9-177.8-179.3-84.7-2.6109.3L301 N303R293-L301 HydrophobicContact CB-CB 4.43Å; R293-L301 PolarHBondContact N-O 2.7Å; R293-L301 PolarHBondContact O-N 3.4Å; R293-N303 VanDerWaalsContact CZ-OD1 3.31Å; R293-N303 PolarHBondContact NE-OD1 2.91Å; R293-N303 PolarHBondContact NH2-OD1 3.12Å
294R95.4Very high93Very high148 Ų14865.7 Ų65.756%0.55838%0.378SS*.EExtended strand (participates in β ladder)trans-110.5151.7165.6-64-175-174.7-80.71.4109.8G298 H299 Y300R294-G298 PolarHBondContact NH1-O 3.42Å; R294-H299 VanDerWaalsContact CA-O 3.27Å; R294-H299 WeakPolarHBondContact CA-O 3.29Å; R294-Y300 VanDerWaalsContact NH1-CE1 3.3Å; R294-Y300 VanDerWaalsContact NH1-CZ 3.26Å; R294-Y300 PolarHBondContact NH1-OH 2.87Å; R294-Y300 PolarHBondContact NH2-OH 3.26Å
295D90.8Very high93.2Very high40 Ų4064.5 Ų64.521%0.21437%0.37CS..  trans-81.1177.3158.374.4-13.6000110.2T297 G298 H299 L301D295-T297 VanDerWaalsContact CG-OG1 3.26Å; D295-T297 PolarHBondContact O-N 3.43Å; D295-T297 VanDerWaalsContact O-N 3.12Å; D295-T297 VanDerWaalsContact OD1-C 3.22Å; D295-T297 VanDerWaalsContact OD1-CA 3.31Å; D295-T297 WeakPolarHBondContact OD1-CA 3.33Å; D295-T297 WeakPolarHBondContact OD1-CB 3.38Å; D295-T297 PolarHBondContact OD1-N 2.91Å; D295-T297 PolarHBondContact OD1-OG1 3.31Å; D295-T297 WeakPolarHBondContact OD2-CB 3.37Å; D295-T297 PolarHBondContact OD2-OG1 2.84Å; D295-G298 PolarHBondContact O-N 3.42Å; D295-G298 VanDerWaalsContact O-N 3.09Å; D295-G298 PolarHBondContact OD1-N 3.02Å; D295-H299 PolarHBondContact N-O 3.21Å; D295-H299 WeakPolarHBondContact OD1-CB 3.42Å; D295-H299 IonicContact OD1-CG 3.74Å; D295-H299 PolarHBondContact OD1-N 2.93Å; D295-H299 IonicContact OD1-ND1 3.4Å; D295-H299 PolarHBondContact OD1-ND1 2.92Å; D295-H299 IonicContact OD2-CE1 3.89Å; D295-H299 IonicContact OD2-CG 3.86Å; D295-H299 IonicContact OD2-ND1 2.86Å; D295-H299 PolarHBondContact OD2-ND1 2.86Å; D295-L301 HydrophobicContact CB-CD1 4.15Å
296S89.7Confident93.5Very high131 Ų13164 Ų6492%0.91637%0.365SS*.THydrogen-bonded Turntrans-63.1-11.7173.853.50000113.8
297T92.6Very high93.7Very high100 Ų10065.7 Ų65.761%0.61337%0.369SS*.THydrogen-bonded Turntrans-97.90.6178.2-14.90000112.3D295 H299D295-T297 VanDerWaalsContact CG-OG1 3.26Å; D295-T297 PolarHBondContact O-N 3.43Å; D295-T297 VanDerWaalsContact O-N 3.12Å; D295-T297 VanDerWaalsContact OD1-C 3.22Å; D295-T297 VanDerWaalsContact OD1-CA 3.31Å; D295-T297 WeakPolarHBondContact OD1-CA 3.33Å; D295-T297 WeakPolarHBondContact OD1-CB 3.38Å; D295-T297 PolarHBondContact OD1-N 2.91Å; D295-T297 PolarHBondContact OD1-OG1 3.31Å; D295-T297 WeakPolarHBondContact OD2-CB 3.37Å; D295-T297 PolarHBondContact OD2-OG1 2.84Å; T297-H299 WeakPolarHBondContact CB-ND1 3.48Å
298G91.3Very high93.8Very high31 Ų3164 Ų6432%0.3235%0.352SS..  trans84.7-5.6-178.800000116.2R294 D295R294-G298 PolarHBondContact NH1-O 3.42Å; D295-G298 PolarHBondContact O-N 3.42Å; D295-G298 VanDerWaalsContact O-N 3.09Å; D295-G298 PolarHBondContact OD1-N 3.02Å
299H93.6Very high93.9Very high89 Ų8963.1 Ų63.141%0.41234%0.337SS..  trans-63.6141.5-178.8-60.2116.1000112.6V282 R294 D295 T297 L301V282-H299 HydrophobicContact CG1-CB 4.02Å; V282-H299 HydrophobicContact CG2-CB 3.88Å; R294-H299 VanDerWaalsContact CA-O 3.27Å; R294-H299 WeakPolarHBondContact CA-O 3.29Å; D295-H299 PolarHBondContact N-O 3.21Å; D295-H299 WeakPolarHBondContact OD1-CB 3.42Å; D295-H299 IonicContact OD1-CG 3.74Å; D295-H299 PolarHBondContact OD1-N 2.93Å; D295-H299 IonicContact OD1-ND1 3.4Å; D295-H299 PolarHBondContact OD1-ND1 2.92Å; D295-H299 IonicContact OD2-CE1 3.89Å; D295-H299 IonicContact OD2-CG 3.86Å; D295-H299 IonicContact OD2-ND1 2.86Å; D295-H299 PolarHBondContact OD2-ND1 2.86Å; T297-H299 WeakPolarHBondContact CB-ND1 3.48Å; H299-L301 PolarHBondContact O-N 2.82Å
300Y94.9Very high93.9Very high80 Ų8070.5 Ų70.531%0.31437%0.367SS..EExtended strand (participates in β ladder)trans-72.5125.6175.9-63.7-73.7000112.6R279 C281 V282 W292 R294R279-Y300 HydrophobicContact CG-CD2 4.38Å; R279-Y300 HydrophobicContact CG-CE2 4.34Å; R279-Y300 HydrophobicContact CG-CG 4.49Å; C281-Y300 WeakPolarHBondContact CA-O 3.48Å; V282-Y300 PolarHBondContact N-O 2.66Å; W292-Y300 HydrophobicContact CE3-CD1 4.47Å; R294-Y300 VanDerWaalsContact NH1-CE1 3.3Å; R294-Y300 VanDerWaalsContact NH1-CZ 3.26Å; R294-Y300 PolarHBondContact NH1-OH 2.87Å; R294-Y300 PolarHBondContact NH2-OH 3.26Å
301L94.8Very high93.7Very high11 Ų1171 Ų716%0.05836%0.36CS..EExtended strand (participates in β ladder)trans-120.1141.4171-67.2175.6000110.2V282 N283 R293 D295 H299 C305V282-L301 HydrophobicContact CG2-CD2 3.68Å; N283-L301 HydrophobicContact CB-CD2 3.98Å; R293-L301 HydrophobicContact CB-CB 4.43Å; R293-L301 PolarHBondContact N-O 2.7Å; R293-L301 PolarHBondContact O-N 3.4Å; D295-L301 HydrophobicContact CB-CD1 4.15Å; H299-L301 PolarHBondContact O-N 2.82Å; L301-C305 HydrophobicContact CD2-CB 4.27Å
302C95.9Very high93.7Very high9 Ų970.5 Ų70.56%0.06136%0.358CS..EExtended strand (participates in β ladder)trans-71.8160.916771.30000110.4C281 A286 T289 A304 C305 G306C281-C302 HydrophobicContact CB-CB 4Å; C281-C302 PolarHBondContact SG-N 3.08Å; A286-C302 HydrophobicContact CB-CB 4.29Å; T289-C302 HydrophobicContact CG2-CB 4.12Å; T289-C302 WeakPolarHBondContact OG1-CA 3.38Å; T289-C302 WeakPolarHBondContact OG1-CB 3.37Å; C302-A304 VanDerWaalsContact C-N 3.29Å; C302-A304 PolarHBondContact O-N 2.99Å; C302-C305 PolarHBondContact O-N 3.45Å; C302-C305 PolarHBondContact SG-SG 2.75Å; C302-G306 PolarHBondContact O-N 3.43Å
303N96.1Very high93.4Very high39 Ų3970.3 Ų70.321%0.20938%0.375CS..Hα-helixtrans-52.3-47.9-173.9-169.932.8000111.9T289 P290 L291 R293 C305 G306 L307T289-N303 PolarHBondContact OG1-N 3.45Å; P290-N303 HydrophobicContact CG-CB 4.31Å; L291-N303 HydrophobicContact CB-CB 4.14Å; L291-N303 PolarHBondContact O-N 3.09Å; L291-N303 VanDerWaalsContact O-N 3.09Å; R293-N303 VanDerWaalsContact CZ-OD1 3.31Å; R293-N303 PolarHBondContact NE-OD1 2.91Å; R293-N303 PolarHBondContact NH2-OD1 3.12Å; N303-C305 PolarHBondContact O-N 3.18Å; N303-G306 PolarHBondContact O-N 2.73Å; N303-L307 WeakPolarHBondContact O-CB 3.31Å; N303-L307 VanDerWaalsContact O-CG 3.29Å; N303-L307 WeakPolarHBondContact O-CG 3.38Å; N303-L307 PolarHBondContact O-N 3.22Å; N303-L307 WeakPolarHBondContact OD1-CD1 3.26Å
304A94.3Very high93.2Very high42 Ų4272.6 Ų72.635%0.34739%0.389SS..Hα-helixtrans-63.9-35.3179.700000113.8C302 Y308C302-A304 VanDerWaalsContact C-N 3.29Å; C302-A304 PolarHBondContact O-N 2.99Å; A304-Y308 VanDerWaalsContact O-CB 3.28Å; A304-Y308 WeakPolarHBondContact O-CB 3.39Å; A304-Y308 PolarHBondContact O-N 3.4Å; A304-Y308 VanDerWaalsContact O-N 3.14Å
305C94.8Very high92.9Very high2 Ų270.8 Ų70.81%0.01439%0.391CS..Hα-helixtrans-79.6-36.7178.7-64.70000112.2N283 C284 L301 C302 N303 H309N283-C305 HydrophobicContact CB-CB 4.11Å; N283-C305 PolarHBondContact OD1-SG 3.38Å; C284-C305 VanDerWaalsContact SG-SG 3.66Å; L301-C305 HydrophobicContact CD2-CB 4.27Å; C302-C305 PolarHBondContact O-N 3.45Å; C302-C305 PolarHBondContact SG-SG 2.75Å; N303-C305 PolarHBondContact O-N 3.18Å; C305-H309 VanDerWaalsContact O-CB 3.3Å; C305-H309 WeakPolarHBondContact O-CB 3.43Å; C305-H309 PolarHBondContact O-N 2.86Å
306G95Very high92.8Very high10 Ų1074.4 Ų74.410%0.10340%0.401CS..Hα-helixtrans-69.9-37.4175.100000113C302 N303 K310C302-G306 PolarHBondContact O-N 3.43Å; N303-G306 PolarHBondContact O-N 2.73Å; G306-K310 WeakPolarHBondContact O-CB 3.49Å; G306-K310 PolarHBondContact O-N 2.84Å
307L94.4Very high92.6Very high66 Ų6672.1 Ų72.135%0.34638%0.383SS..Hα-helixtrans-65.4-47.3172.4-74.3170.1000111.6N303 H309 K310 M311N303-L307 WeakPolarHBondContact O-CB 3.31Å; N303-L307 VanDerWaalsContact O-CG 3.29Å; N303-L307 WeakPolarHBondContact O-CG 3.38Å; N303-L307 PolarHBondContact O-N 3.22Å; N303-L307 WeakPolarHBondContact OD1-CD1 3.26Å; L307-H309 PolarHBondContact O-N 3.31Å; L307-K310 PolarHBondContact O-N 2.78Å; L307-M311 HydrophobicContact CB-CE 4.15Å; L307-M311 WeakPolarHBondContact O-CE 3.27Å; L307-M311 PolarHBondContact O-N 3.42Å
308Y94.6Very high92.1Very high62 Ų6270.5 Ų70.524%0.24337%0.371CS..Hα-helixtrans-58.9-46.1176-170.3-81.3000111.6A304 K310 M311 N312 Q314 R316 P317A304-Y308 VanDerWaalsContact O-CB 3.28Å; A304-Y308 WeakPolarHBondContact O-CB 3.39Å; A304-Y308 PolarHBondContact O-N 3.4Å; A304-Y308 VanDerWaalsContact O-N 3.14Å; Y308-K310 VanDerWaalsContact C-N 3.32Å; Y308-K310 PolarHBondContact O-N 2.97Å; Y308-M311 PolarHBondContact O-N 2.78Å; Y308-N312 HydrophobicContact CD1-CB 4.18Å; Y308-N312 WeakPolarHBondContact CD2-OD1 3.3Å; Y308-N312 HydrophobicContact CE1-CB 3.8Å; Y308-N312 WeakPolarHBondContact CE2-OD1 3.43Å; Y308-N312 VanDerWaalsContact CZ-OD1 3.24Å; Y308-N312 WeakPolarHBondContact O-CB 3.27Å; Y308-N312 PolarHBondContact O-N 3.09Å; Y308-N312 PolarHBondContact O-OD1 2.68Å; Y308-Q314 WeakPolarHBondContact CD1-O 3.26Å; Y308-R316 HydrophobicContact CD1-CB 3.74Å; Y308-R316 HydrophobicContact CD1-CG 4.14Å; Y308-R316 HydrophobicContact CD2-CB 4.43Å; Y308-R316 HydrophobicContact CD2-CG 3.92Å; Y308-R316 HydrophobicContact CE1-CB 4.35Å; Y308-R316 HydrophobicContact CE2-CG 4.43Å; Y308-R316 HydrophobicContact CG-CB 3.79Å; Y308-R316 HydrophobicContact CG-CG 3.77Å; Y308-P317 WeakPolarHBondContact OH-CD 3.48Å
309H93.3Very high91.3Very high76 Ų7677 Ų7735%0.35240%0.396SS..Hα-helixtrans-63.2-36.2177.1-171.1-85.2000112.7C305 L307 G313 Q314C305-H309 VanDerWaalsContact O-CB 3.3Å; C305-H309 WeakPolarHBondContact O-CB 3.43Å; C305-H309 PolarHBondContact O-N 2.86Å; L307-H309 PolarHBondContact O-N 3.31Å; H309-G313 WeakPolarHBondContact O-CA 3.41Å; H309-G313 PolarHBondContact O-N 3.5Å; H309-G313 VanDerWaalsContact O-N 3.09Å; H309-Q314 WeakPolarHBondContact CA-O 3.15Å
310K92.9Very high90.3Very high185 Ų18581.2 Ų81.280%0.80441%0.413SS*.Hα-helixtrans-67.8-40.8175.2-172.7178178.7-175.10112.4G306 L307 Y308G306-K310 WeakPolarHBondContact O-CB 3.49Å; G306-K310 PolarHBondContact O-N 2.84Å; L307-K310 PolarHBondContact O-N 2.78Å; Y308-K310 VanDerWaalsContact C-N 3.32Å; Y308-K310 PolarHBondContact O-N 2.97Å
311M89.7Confident88.6Confident136 Ų13683 Ų8367%0.6744%0.435SS*.Hα-helixtrans-85-32.6-175.478.1-178.170.800114L307 Y308L307-M311 HydrophobicContact CB-CE 4.15Å; L307-M311 WeakPolarHBondContact O-CE 3.27Å; L307-M311 PolarHBondContact O-N 3.42Å; Y308-M311 PolarHBondContact O-N 2.78Å
312N93.2Very high87Confident76 Ų7685.9 Ų85.941%0.40645%0.447SS..Hα-helixtrans-106.1-8.3-175.8-59.2111.5000114.1Y308 Q314Y308-N312 HydrophobicContact CD1-CB 4.18Å; Y308-N312 WeakPolarHBondContact CD2-OD1 3.3Å; Y308-N312 HydrophobicContact CE1-CB 3.8Å; Y308-N312 WeakPolarHBondContact CE2-OD1 3.43Å; Y308-N312 VanDerWaalsContact CZ-OD1 3.24Å; Y308-N312 WeakPolarHBondContact O-CB 3.27Å; Y308-N312 PolarHBondContact O-N 3.09Å; Y308-N312 PolarHBondContact O-OD1 2.68Å; N312-Q314 PolarHBondContact O-N 2.99Å
313G90.3Very high85.3Confident57 Ų5795 Ų9559%0.58848%0.48SS*.SBendtrans62.910.5-17400000114.7H309H309-G313 WeakPolarHBondContact O-CA 3.41Å; H309-G313 PolarHBondContact O-N 3.5Å; H309-G313 VanDerWaalsContact O-N 3.09Å
314Q90.8Very high83.4Confident134 Ų134100 Ų10063%0.62650%0.496SS*.SBendtrans-132164.2-172.5-66.9-16620.200112.2Y308 H309 N312Y308-Q314 WeakPolarHBondContact CD1-O 3.26Å; H309-Q314 WeakPolarHBondContact CA-O 3.15Å; N312-Q314 PolarHBondContact O-N 2.99Å
315N88.3Confident81.7Confident111 Ų111103.5 Ų103.559%0.59451%0.509SS*.PPolyproline II helixtrans-71.6134.6174.3-91-79.2000110.7N283N283-N315 WeakPolarHBondContact ND2-CB 3.46Å; N283-N315 PolarHBondContact ND2-OD1 3.29Å
316R88.9Confident80Confident115 Ų115106.1 Ų106.143%0.43453%0.527SS..PPolyproline II helixtrans-56.8125.5179.2-167.6175.1-173.6-137.12.2110.8N283 Y308 L318N283-R316 PolarHBondContact ND2-N 3.02Å; Y308-R316 HydrophobicContact CD1-CB 3.74Å; Y308-R316 HydrophobicContact CD1-CG 4.14Å; Y308-R316 HydrophobicContact CD2-CB 4.43Å; Y308-R316 HydrophobicContact CD2-CG 3.92Å; Y308-R316 HydrophobicContact CE1-CB 4.35Å; Y308-R316 HydrophobicContact CE2-CG 4.43Å; Y308-R316 HydrophobicContact CG-CB 3.79Å; Y308-R316 HydrophobicContact CG-CG 3.77Å; R316-L318 WeakPolarHBondContact O-CD1 3.49Å; R316-L318 PolarHBondContact O-N 2.86Å
317P84.7Confident78.1Confident83 Ų83108.2 Ų108.254%0.53954%0.543SS..PPolyproline II helixtrans-70.2126.7176.227.3-32.9000109.8Y308 I319Y308-P317 WeakPolarHBondContact OH-CD 3.48Å; P317-I319 PolarHBondContact O-N 3.36Å
318L81.9Confident76.4Confident66 Ų66106.4 Ų106.435%0.34654%0.537SS..  trans-90.698.8177.9-94.770.4000110N283 C284 R316 K320 K322N283-L318 WeakPolarHBondContact OD1-CD1 3.47Å; C284-L318 HydrophobicContact CB-CD1 4.02Å; C284-L318 HydrophobicContact CB-CD2 4.14Å; C284-L318 HydrophobicContact CB-CG 4.45Å; R316-L318 WeakPolarHBondContact O-CD1 3.49Å; R316-L318 PolarHBondContact O-N 2.86Å; L318-K320 PolarHBondContact O-N 3.25Å; L318-K320 VanDerWaalsContact O-N 3.08Å; L318-K322 HydrophobicContact CD2-CB 3.76Å; L318-K322 HydrophobicContact CD2-CG 4.46Å
319I75.5Confident74.7Confident168 Ų168112.3 Ų112.386%0.86256%0.559SS**SBendtrans-52.1-30.9177.5-59.8170.1000112.1P317P317-I319 PolarHBondContact O-N 3.36Å
320K71.5Confident73.3Confident177 Ų177116.1 Ų116.177%0.7757%0.571SS**SBendtrans-114.7119.8170.8-71.4172.9179.6173.60108.5L318 K322L318-K320 PolarHBondContact O-N 3.25Å; L318-K320 VanDerWaalsContact O-N 3.08Å; K320-K322 PolarHBondContact O-N 2.69Å
321P60.8Low72.1Confident119 Ų119112.2 Ų112.277%0.77357%0.573SS**  trans-52.2129.3-180-29.835.9000112.3R323P321-R323 PolarHBondContact O-N 3.22Å
322K61.3Low71.8Confident70 Ų70109.9 Ų109.930%0.30458%0.584SS.*  trans-52.396.9-175.8-179.4173.8153.877.90111.1E280 G285 L318 K320 R324E280-K322 IonicContact OE2-NZ 3.69Å; E280-K322 PolarHBondContact OE2-NZ 3.35Å; G285-K322 VanDerWaalsContact N-NZ 3.16Å; L318-K322 HydrophobicContact CD2-CB 3.76Å; L318-K322 HydrophobicContact CD2-CG 4.46Å; K320-K322 PolarHBondContact O-N 2.69Å; K322-R324 HydrophobicContact CD-CG 4.15Å; K322-R324 HydrophobicContact CG-CG 3.88Å; K322-R324 PolarHBondContact O-N 2.95Å
323R58.8Low71.8Confident200 Ų200107.8 Ų107.876%0.75557%0.574SS**  trans-63.786162.1-93.2-171.167.1102.7-4.5108P321 L325P321-R323 PolarHBondContact O-N 3.22Å; R323-L325 PolarHBondContact O-N 3.24Å
324R57.5Low72Confident146 Ų146107.9 Ų107.955%0.55157%0.565SS**  trans-63.790.8164-77.5-15792-175.55.9108.3E280 K322 S326E280-R324 IonicContact OE1-CZ 2.73Å; E280-R324 IonicContact OE1-NE 2.69Å; E280-R324 IonicContact OE1-NH2 3.66Å; E280-R324 PolarHBondContact OE1-NH2 3.3Å; K322-R324 HydrophobicContact CD-CG 4.15Å; K322-R324 HydrophobicContact CG-CG 3.88Å; K322-R324 PolarHBondContact O-N 2.95Å; R324-S326 PolarHBondContact NE-OG 3.16Å; R324-S326 PolarHBondContact O-N 2.85Å
325L57.9Low72.2Confident115 Ų115101.5 Ų101.560%0.60254%0.535SS*.  trans-65.2-14.7167.1-65.8169.2000111.5R323 A327R323-L325 PolarHBondContact O-N 3.24Å; L325-A327 PolarHBondContact O-N 3.48Å
326S58.4Low72.7Confident56 Ų5698.8 Ų98.839%0.39253%0.528SS..THydrogen-bonded Turntrans-52.8120.9179.359.40000112.9R324 A328R324-S326 PolarHBondContact NE-OG 3.16Å; R324-S326 PolarHBondContact O-N 2.85Å; S326-A328 PolarHBondContact O-N 3.45Å
327A56Low73.1Confident54 Ų5494.8 Ų94.845%0.44652%0.516SS..THydrogen-bonded Turntrans60.9-15.517000000118.6L325 R329 W346L325-A327 PolarHBondContact O-N 3.48Å; A327-R329 PolarHBondContact O-N 3.02Å; A327-W346 VanDerWaalsContact O-CD1 3.29Å; A327-W346 PolarHBondContact O-NE1 3.13Å; A327-W346 VanDerWaalsContact O-NE1 3.08Å
328A57.8Low73.6Confident28 Ų2891.1 Ų91.123%0.23149%0.492CS..THydrogen-bonded Turntrans-64.5-25.2-179.400000113.7S326 T343S326-A328 PolarHBondContact O-N 3.45Å; A328-T343 WeakPolarHBondContact CA-O 3.09Å; A328-T343 WeakPolarHBondContact CB-O 3.33Å
329R58.6Low74.3Confident187 Ų18793 Ų9371%0.70650%0.499SS*.THydrogen-bonded Turntrans-125.184.3167.5-61.5-170-57.1-167.66109.3A327 T342A327-R329 PolarHBondContact O-N 3.02Å; R329-T342 HydrophobicContact CG-CG2 4.44Å
330R65Low75.1Confident155 Ų15586.4 Ų86.459%0.58547%0.466SS*.  trans-77.9120.7157.8-70-175.5-177.6-152.20.7106.3G332 T333R330-G332 PolarHBondContact O-N 3.29Å; R330-T333 WeakPolarHBondContact CB-OG1 3.35Å; R330-T333 PolarHBondContact O-N 2.99Å
331A68.1Low76.2Confident103 Ų10382.2 Ų82.285%0.85146%0.455SS*.THydrogen-bonded Turntrans-56138.2178.400000110T333A331-T333 PolarHBondContact O-N 3.29Å; A331-T333 VanDerWaalsContact O-N 3.14Å
332G82.6Confident77.6Confident88 Ų8878.8 Ų78.891%0.90743%0.433SS*.THydrogen-bonded Turntrans70.9-5.7-178.300000116.9R330R330-G332 PolarHBondContact O-N 3.29Å
333T92.3Very high79.1Confident31 Ų3175.8 Ų75.819%0.1942%0.42CS..  trans-87.2118.8178.2-47.30000111.2R330 A331 W346 P354R330-T333 WeakPolarHBondContact CB-OG1 3.35Å; R330-T333 PolarHBondContact O-N 2.99Å; A331-T333 PolarHBondContact O-N 3.29Å; A331-T333 VanDerWaalsContact O-N 3.14Å; T333-W346 HydrophobicContact CG2-CD2 3.81Å; T333-W346 HydrophobicContact CG2-CE3 3.79Å; T333-W346 HydrophobicContact CG2-CH2 3.72Å; T333-W346 HydrophobicContact CG2-CZ2 3.73Å; T333-W346 HydrophobicContact CG2-CZ3 3.74Å; T333-W346 VanDerWaalsContact O-CH2 3.3Å; T333-W346 WeakPolarHBondContact O-CH2 3.37Å; T333-W346 WeakPolarHBondContact O-CZ2 3.49Å; T333-P354 HydrophobicContact CG2-CB 3.7Å; T333-P354 HydrophobicContact CG2-CG 4.17Å
334C94.7Very high80.6Confident60 Ų6070.9 Ų70.941%0.40541%0.412SS..  trans-115.2163.217067.70000110.9T340 T341 P354C334-T340 CarbonylContact C-O 3.56Å; C334-T340 WeakPolarHBondContact CA-O 3.29Å; C334-T341 HydrophobicContact CB-CG2 4.26Å; C334-P354 WeakPolarHBondContact O-CG 3.35Å
335C96.6Very high82.3Confident0 Ų068 Ų680%041%0.408CS..  trans-86.2120.9174.4175.20000111.2N337 C338 Q339 T340 W346 P354 C356C335-N337 VanDerWaalsContact C-N 3.25Å; C335-N337 PolarHBondContact O-N 3.11Å; C335-N337 VanDerWaalsContact O-N 3.12Å; C335-C338 PolarHBondContact O-N 3.35Å; C335-C338 VanDerWaalsContact SG-SG 3.68Å; C335-Q339 VanDerWaalsContact O-CA 3.22Å; C335-Q339 WeakPolarHBondContact O-CA 3.45Å; C335-Q339 PolarHBondContact O-N 3.19Å; C335-T340 HydrophobicContact CB-CG2 3.87Å; C335-T340 PolarHBondContact N-O 3.47Å; C335-W346 HydrophobicContact CB-CZ3 4.24Å; C335-P354 WeakPolarHBondContact CA-O 3.42Å; C335-C356 HydrophobicContact CB-CB 4.05Å; C335-C356 PolarHBondContact SG-N 2.89Å
336A97.1Very high84Confident54 Ų5464.1 Ų64.145%0.44639%0.385SS..THydrogen-bonded Turntrans-52.1-39.2-179.600000114.2D353 P354 V355A336-D353 HydrophobicContact CB-CB 3.97Å; A336-P354 PolarHBondContact N-O 3.39Å; A336-V355 HydrophobicContact CB-CG1 4.35Å
337N97.1Very high85.8Confident31 Ų3165.6 Ų65.617%0.16638%0.382CS..THydrogen-bonded Turntrans-84-27.2-177.1166.9-125.8000115.5C335 C359 N369 R370C335-N337 VanDerWaalsContact C-N 3.25Å; C335-N337 PolarHBondContact O-N 3.11Å; C335-N337 VanDerWaalsContact O-N 3.12Å; N337-C359 HydrophobicContact CB-CB 4.36Å; N337-C359 WeakPolarHBondContact OD1-CB 3.27Å; N337-C359 PolarHBondContact OD1-SG 3.43Å; N337-N369 PolarHBondContact ND2-ND2 3.29Å; N337-R370 PolarHBondContact ND2-O 3.16Å; N337-R370 WeakPolarHBondContact OD1-CB 3.48Å; N337-R370 PolarHBondContact OD1-N 3.48Å
338C96.4Very high87.7Confident6 Ų672 Ų724%0.04140%0.395CS..THydrogen-bonded Turntrans-140.611-174.676.90000115.4C335 T340 C359 L372 K375C335-C338 PolarHBondContact O-N 3.35Å; C335-C338 VanDerWaalsContact SG-SG 3.68Å; C338-T340 PolarHBondContact O-N 2.9Å; C338-C359 PolarHBondContact SG-SG 3.09Å; C338-L372 HydrophobicContact CB-CD2 3.93Å; C338-K375 HydrophobicContact CB-CD 4.41Å; C338-K375 VanDerWaalsContact O-CE 3.27Å; C338-K375 WeakPolarHBondContact O-CE 3.18Å; C338-K375 PolarHBondContact O-NZ 2.9Å
339Q95.6Very high89.5Confident106 Ų10673.2 Ų73.250%0.49540%0.397SS..  trans575.6174.2-51.377.529.900115.9C335 T341C335-Q339 VanDerWaalsContact O-CA 3.22Å; C335-Q339 WeakPolarHBondContact O-CA 3.45Å; C335-Q339 PolarHBondContact O-N 3.19Å; Q339-T341 PolarHBondContact O-N 3.18Å
340T93.8Very high91.2Very high29 Ų2969 Ų6918%0.17840%0.403CS..  trans-61.4131.6175.4-173.40000110.8C334 C335 C338 T342 W346 C356C334-T340 CarbonylContact C-O 3.56Å; C334-T340 WeakPolarHBondContact CA-O 3.29Å; C335-T340 HydrophobicContact CB-CG2 3.87Å; C335-T340 PolarHBondContact N-O 3.47Å; C338-T340 PolarHBondContact O-N 2.9Å; T340-T342 VanDerWaalsContact C-N 3.35Å; T340-T342 WeakPolarHBondContact CG2-O 3.29Å; T340-T342 PolarHBondContact OG1-N 2.74Å; T340-T342 VanDerWaalsContact OG1-N 3.14Å; T340-T342 PolarHBondContact OG1-O 2.92Å; T340-W346 WeakPolarHBondContact O-CH2 3.17Å; T340-C356 HydrophobicContact CG2-CB 3.57Å
341T93.4Very high92.7Very high88 Ų8868 Ų6854%0.5441%0.409SS..SBendtrans-89.6-4.2171.753.70000112.3C334 Q339C334-T341 HydrophobicContact CB-CG2 4.26Å; Q339-T341 PolarHBondContact O-N 3.18Å
342T91.3Very high93.9Very high48 Ų4864.4 Ų64.429%0.29438%0.381SS..  trans-124137.9178.374.60000111.9R329 T340R329-T342 HydrophobicContact CG-CG2 4.44Å; T340-T342 VanDerWaalsContact C-N 3.35Å; T340-T342 WeakPolarHBondContact CG2-O 3.29Å; T340-T342 PolarHBondContact OG1-N 2.74Å; T340-T342 VanDerWaalsContact OG1-N 3.14Å; T340-T342 PolarHBondContact OG1-O 2.92Å
343T92.6Very high94.5Very high7 Ų763.5 Ų63.54%0.04336%0.355CS..  trans-158.8153.3179.3-179.70000110.6A328 L345 W346 C356 N357A328-T343 WeakPolarHBondContact CA-O 3.09Å; A328-T343 WeakPolarHBondContact CB-O 3.33Å; T343-L345 VanDerWaalsContact CG2-O 3.29Å; T343-L345 WeakPolarHBondContact CG2-O 3.43Å; T343-L345 PolarHBondContact O-N 3.34Å; T343-L345 PolarHBondContact OG1-N 3.28Å; T343-L345 PolarHBondContact OG1-O 3.04Å; T343-W346 HydrophobicContact CG2-CD2 3.41Å; T343-W346 VanDerWaalsContact CG2-CD2 3.41Å; T343-W346 HydrophobicContact CG2-CE3 3.9Å; T343-W346 HydrophobicContact CG2-CG 3.72Å; T343-W346 HydrophobicContact CG2-CH2 4.21Å; T343-W346 HydrophobicContact CG2-CZ2 3.77Å; T343-W346 HydrophobicContact CG2-CZ3 4.27Å; T343-C356 HydrophobicContact CG2-CB 4.45Å; T343-N357 PolarHBondContact OG1-N 2.94Å
344T90.7Very high94.7Very high96 Ų9664.3 Ų64.359%0.58936%0.361SS*.SBendtrans-71.6-21.5172.760.50000113I379T344-I379 HydrophobicContact CG2-CG2 3.63Å
345L91.8Very high94.8Very high86 Ų8661.9 Ų61.945%0.4535%0.345SS..SBendtrans-157.8134.7178.5174.563.3000109T343 R347 N357T343-L345 VanDerWaalsContact CG2-O 3.29Å; T343-L345 WeakPolarHBondContact CG2-O 3.43Å; T343-L345 PolarHBondContact O-N 3.34Å; T343-L345 PolarHBondContact OG1-N 3.28Å; T343-L345 PolarHBondContact OG1-O 3.04Å; L345-R347 HydrophobicContact CD2-CG 4.48Å; L345-R347 HydrophobicContact CG-CG 4.45Å; L345-N357 HydrophobicContact CB-CB 4.11Å; L345-N357 PolarHBondContact O-N 2.95Å; L345-N357 VanDerWaalsContact O-N 3.13Å
346W94.6Very high94.9Very high34 Ų3462.2 Ų62.213%0.12935%0.347CS..EExtended strand (participates in β ladder)trans-86137.7167.1-70.4102.7000109.7A327 T333 C335 T340 T343 P354A327-W346 VanDerWaalsContact O-CD1 3.29Å; A327-W346 PolarHBondContact O-NE1 3.13Å; A327-W346 VanDerWaalsContact O-NE1 3.08Å; T333-W346 HydrophobicContact CG2-CD2 3.81Å; T333-W346 HydrophobicContact CG2-CE3 3.79Å; T333-W346 HydrophobicContact CG2-CH2 3.72Å; T333-W346 HydrophobicContact CG2-CZ2 3.73Å; T333-W346 HydrophobicContact CG2-CZ3 3.74Å; T333-W346 VanDerWaalsContact O-CH2 3.3Å; T333-W346 WeakPolarHBondContact O-CH2 3.37Å; T333-W346 WeakPolarHBondContact O-CZ2 3.49Å; C335-W346 HydrophobicContact CB-CZ3 4.24Å; T340-W346 WeakPolarHBondContact O-CH2 3.17Å; T343-W346 HydrophobicContact CG2-CD2 3.41Å; T343-W346 VanDerWaalsContact CG2-CD2 3.41Å; T343-W346 HydrophobicContact CG2-CE3 3.9Å; T343-W346 HydrophobicContact CG2-CG 3.72Å; T343-W346 HydrophobicContact CG2-CH2 4.21Å; T343-W346 HydrophobicContact CG2-CZ2 3.77Å; T343-W346 HydrophobicContact CG2-CZ3 4.27Å; W346-P354 HydrophobicContact CE3-CB 4.11Å; W346-P354 HydrophobicContact CZ3-CB 4.29Å
347R95.6Very high94.9Very high86 Ų8661.3 Ų61.333%0.32533%0.334SS..EExtended strand (participates in β ladder)trans-123.2172.9174.1-64.5179.3178.2-81.1-2.7108.8L345 V355 N357L345-R347 HydrophobicContact CD2-CG 4.48Å; L345-R347 HydrophobicContact CG-CG 4.45Å; R347-V355 HydrophobicContact CB-CG2 3.88Å; R347-V355 PolarHBondContact N-O 3.3Å; R347-V355 PolarHBondContact O-N 2.75Å; R347-N357 PolarHBondContact NE-OD1 3.29Å; R347-N357 PolarHBondContact NH2-OD1 3.48Å
348R96.3Very high94.9Very high190 Ų19062 Ų6272%0.71735%0.345SS*.EExtended strand (participates in β ladder)trans-110.5150.3165-63.2-175.5-176.7-87.611110.3G352 D353R348-G352 VanDerWaalsContact CD-O 3.27Å; R348-G352 WeakPolarHBondContact CD-O 3.47Å; R348-G352 VanDerWaalsContact CG-O 3.31Å; R348-G352 WeakPolarHBondContact CG-O 3.46Å; R348-G352 PolarHBondContact NH1-O 3.17Å; R348-D353 VanDerWaalsContact CA-O 3.23Å; R348-D353 WeakPolarHBondContact CA-O 3.49Å
349N95.4Very high94.9Very high53 Ų5362 Ų6228%0.28334%0.344SS..  trans-80.7-172.8162.766.1-2.6000110.1N351 G352 D353 V355N349-N351 VanDerWaalsContact C-N 3.3Å; N349-N351 PolarHBondContact ND2-OD1 3.43Å; N349-N351 PolarHBondContact O-N 3.47Å; N349-N351 PolarHBondContact OD1-N 2.87Å; N349-G352 PolarHBondContact O-N 3.3Å; N349-G352 PolarHBondContact OD1-N 3.14Å; N349-D353 PolarHBondContact N-O 2.68Å; N349-D353 VanDerWaalsContact N-O 3.16Å; N349-D353 PolarHBondContact ND2-OD2 2.99Å; N349-D353 WeakPolarHBondContact OD1-CB 3.43Å; N349-D353 PolarHBondContact OD1-N 2.88Å; N349-D353 PolarHBondContact OD1-OD2 2.83Å; N349-V355 HydrophobicContact CB-CG1 4.19Å
350A95.2Very high95Very high99 Ų9957.6 Ų57.682%0.81833%0.328SS*.THydrogen-bonded Turntrans-63.4-35.6175.500000112.6G352A350-G352 PolarHBondContact O-N 3.29Å
351N94.8Very high95.2Very high134 Ų13460 Ų6072%0.71734%0.34SS*.THydrogen-bonded Turntrans-72.5-10.9178.7-46.168000113.5N349 D353N349-N351 VanDerWaalsContact C-N 3.3Å; N349-N351 PolarHBondContact ND2-OD1 3.43Å; N349-N351 PolarHBondContact O-N 3.47Å; N349-N351 PolarHBondContact OD1-N 2.87Å; N351-D353 WeakPolarHBondContact CB-OD2 3.48Å
352G94.8Very high95.4Very high26 Ų2658.3 Ų58.327%0.26832%0.324SS..  trans95.5-10-178.200000115.4R348 N349 A350R348-G352 VanDerWaalsContact CD-O 3.27Å; R348-G352 WeakPolarHBondContact CD-O 3.47Å; R348-G352 VanDerWaalsContact CG-O 3.31Å; R348-G352 WeakPolarHBondContact CG-O 3.46Å; R348-G352 PolarHBondContact NH1-O 3.17Å; N349-G352 PolarHBondContact O-N 3.3Å; N349-G352 PolarHBondContact OD1-N 3.14Å; A350-G352 PolarHBondContact O-N 3.29Å
353D95.6Very high95.7Very high69 Ų6961.2 Ų61.237%0.36933%0.33SS..  trans-62.5147.3-176.9-52.9-55.2000113.7A336 R348 N349 N351 V355A336-D353 HydrophobicContact CB-CB 3.97Å; R348-D353 VanDerWaalsContact CA-O 3.23Å; R348-D353 WeakPolarHBondContact CA-O 3.49Å; N349-D353 PolarHBondContact N-O 2.68Å; N349-D353 VanDerWaalsContact N-O 3.16Å; N349-D353 PolarHBondContact ND2-OD2 2.99Å; N349-D353 WeakPolarHBondContact OD1-CB 3.43Å; N349-D353 PolarHBondContact OD1-N 2.88Å; N349-D353 PolarHBondContact OD1-OD2 2.83Å; N351-D353 WeakPolarHBondContact CB-OD2 3.48Å; D353-V355 PolarHBondContact O-N 3.28Å
354P96.3Very high95.9Very high49 Ų4968.8 Ų68.832%0.31836%0.362SS..EExtended strand (participates in β ladder)trans-63.9125172.327.4-34.1000112T333 C334 C335 A336 W346T333-P354 HydrophobicContact CG2-CB 3.7Å; T333-P354 HydrophobicContact CG2-CG 4.17Å; C334-P354 WeakPolarHBondContact O-CG 3.35Å; C335-P354 WeakPolarHBondContact CA-O 3.42Å; A336-P354 PolarHBondContact N-O 3.39Å; W346-P354 HydrophobicContact CE3-CB 4.11Å; W346-P354 HydrophobicContact CZ3-CB 4.29Å
355V97Very high96.3Very high9 Ų970.3 Ų70.36%0.05537%0.366CS..EExtended strand (participates in β ladder)trans-128.1149.4170.2-58.70000111.8A336 R347 N349 D353A336-V355 HydrophobicContact CB-CG1 4.35Å; R347-V355 HydrophobicContact CB-CG2 3.88Å; R347-V355 PolarHBondContact N-O 3.3Å; R347-V355 PolarHBondContact O-N 2.75Å; N349-V355 HydrophobicContact CB-CG1 4.19Å; D353-V355 PolarHBondContact O-N 3.28Å
356C96.8Very high96.5Very high7 Ų770.8 Ų70.85%0.04737%0.366CS..EExtended strand (participates in β ladder)trans-72.9165.117880.70000111.4C335 T340 T343 A358 C359 G360C335-C356 HydrophobicContact CB-CB 4.05Å; C335-C356 PolarHBondContact SG-N 2.89Å; T340-C356 HydrophobicContact CG2-CB 3.57Å; T343-C356 HydrophobicContact CG2-CB 4.45Å; C356-A358 VanDerWaalsContact C-N 3.27Å; C356-A358 PolarHBondContact O-N 2.97Å; C356-C359 PolarHBondContact O-N 3.35Å; C356-C359 PolarHBondContact SG-N 3.41Å; C356-C359 PolarHBondContact SG-SG 3.4Å; C356-G360 PolarHBondContact O-N 3.46Å
357N97.1Very high96.7Very high34 Ų3475 Ų7518%0.18239%0.391CS..Hα-helixtrans-61.4-35.9-176.9-174.152.4000112.5T343 L345 R347 L361T343-N357 PolarHBondContact OG1-N 2.94Å; L345-N357 HydrophobicContact CB-CB 4.11Å; L345-N357 PolarHBondContact O-N 2.95Å; L345-N357 VanDerWaalsContact O-N 3.13Å; R347-N357 PolarHBondContact NE-OD1 3.29Å; R347-N357 PolarHBondContact NH2-OD1 3.48Å; N357-L361 VanDerWaalsContact O-CB 3.29Å; N357-L361 WeakPolarHBondContact O-CB 3.3Å; N357-L361 WeakPolarHBondContact O-CD1 3.38Å; N357-L361 WeakPolarHBondContact O-CG 3.46Å; N357-L361 PolarHBondContact O-N 3.34Å; N357-L361 VanDerWaalsContact O-N 3.11Å
358A97.3Very high96.7Very high46 Ų4674.8 Ų74.838%0.3840%0.399SS..Hα-helixtrans-68.7-46.3179.600000112C356 L361 Y362C356-A358 VanDerWaalsContact C-N 3.27Å; C356-A358 PolarHBondContact O-N 2.97Å; A358-L361 PolarHBondContact O-N 3.02Å; A358-Y362 WeakPolarHBondContact O-CB 3.49Å; A358-Y362 PolarHBondContact O-N 2.88Å
359C97.7Very high96.8Very high5 Ų570.6 Ų70.63%0.03439%0.391CS..Hα-helixtrans-66-46.4179-61.70000111.9N337 C338 C356 L361 Y362 Y363 R370N337-C359 HydrophobicContact CB-CB 4.36Å; N337-C359 WeakPolarHBondContact OD1-CB 3.27Å; N337-C359 PolarHBondContact OD1-SG 3.43Å; C338-C359 PolarHBondContact SG-SG 3.09Å; C356-C359 PolarHBondContact O-N 3.35Å; C356-C359 PolarHBondContact SG-N 3.41Å; C356-C359 PolarHBondContact SG-SG 3.4Å; C359-L361 VanDerWaalsContact C-N 3.29Å; C359-L361 PolarHBondContact O-N 3.23Å; C359-Y362 PolarHBondContact O-N 2.79Å; C359-Y363 PolarHBondContact O-N 3.08Å; C359-R370 HydrophobicContact CB-CB 4.43Å
360G97.4Very high96.9Very high15 Ų1570.1 Ų70.116%0.15539%0.385CS..Hα-helixtrans-70.5-19.3179.600000114.9C356 K364C356-G360 PolarHBondContact O-N 3.46Å; G360-K364 WeakPolarHBondContact O-CB 3.23Å
361L97.3Very high97Very high80 Ų8067.8 Ų67.842%0.41936%0.362SS..Hα-helixtrans-83.1-41.2169.4-74.9172.8000111.9N357 A358 C359 K364 L365N357-L361 VanDerWaalsContact O-CB 3.29Å; N357-L361 WeakPolarHBondContact O-CB 3.3Å; N357-L361 WeakPolarHBondContact O-CD1 3.38Å; N357-L361 WeakPolarHBondContact O-CG 3.46Å; N357-L361 PolarHBondContact O-N 3.34Å; N357-L361 VanDerWaalsContact O-N 3.11Å; A358-L361 PolarHBondContact O-N 3.02Å; C359-L361 VanDerWaalsContact C-N 3.29Å; C359-L361 PolarHBondContact O-N 3.23Å; L361-K364 PolarHBondContact O-N 2.85Å; L361-L365 PolarHBondContact O-N 3.32Å; L361-L365 VanDerWaalsContact O-N 3.16Å
362Y98.1Very high97Very high52 Ų5266.1 Ų66.120%0.20435%0.352CS..Hα-helixtrans-62.4-48.4178-174.8-86.1000111.7A358 C359 K364 L365 H366 V368 N369 R370 P371 M374A358-Y362 WeakPolarHBondContact O-CB 3.49Å; A358-Y362 PolarHBondContact O-N 2.88Å; C359-Y362 PolarHBondContact O-N 2.79Å; Y362-K364 VanDerWaalsContact C-N 3.25Å; Y362-K364 PolarHBondContact O-N 3.25Å; Y362-L365 PolarHBondContact O-N 3.18Å; Y362-H366 AromaticContact CD2-CD2 3.53Å; Y362-H366 AromaticContact CD2-NE2 3.97Å; Y362-H366 HydrophobicContact CE1-CB 4.32Å; Y362-H366 AromaticContact CE2-CD2 3.46Å; Y362-H366 VanDerWaalsContact CE2-CD2 3.46Å; Y362-H366 WeakPolarHBondContact CE2-CD2 3.41Å; Y362-H366 AromaticContact CE2-NE2 3.83Å; Y362-H366 AromaticContact CG-CD2 3.87Å; Y362-H366 AromaticContact CZ-CD2 3.74Å; Y362-H366 PolarHBondContact O-CD2 3.31Å; Y362-H366 PolarHBondContact O-N 2.84Å; Y362-V368 WeakPolarHBondContact CD1-O 3.22Å; Y362-V368 HydrophobicContact CE1-CG2 4.11Å; Y362-N369 WeakPolarHBondContact CE1-O 3.44Å; Y362-R370 HydrophobicContact CD1-CB 3.66Å; Y362-R370 HydrophobicContact CD1-CG 3.96Å; Y362-R370 HydrophobicContact CD2-CG 4.05Å; Y362-R370 HydrophobicContact CE1-CB 4.27Å; Y362-R370 HydrophobicContact CE1-CG 4.47Å; Y362-R370 HydrophobicContact CG-CB 3.85Å; Y362-R370 HydrophobicContact CG-CG 3.71Å; Y362-P371 WeakPolarHBondContact OH-CD 3.22Å; Y362-M374 HydrophobicContact CD2-SD 4.45Å; Y362-M374 HydrophobicContact CE2-CE 4.49Å; Y362-M374 HydrophobicContact CE2-SD 3.83Å
363Y97.8Very high97.1Very high109 Ų10971.3 Ų71.343%0.42738%0.379SS..Hα-helixtrans-61.1-33.6176.6-170.2-83.7000112.4C359 L365 N367 V368C359-Y363 PolarHBondContact O-N 3.08Å; Y363-L365 VanDerWaalsContact C-N 3.31Å; Y363-L365 PolarHBondContact O-N 3.44Å; Y363-N367 WeakPolarHBondContact CE2-O 3.31Å; Y363-N367 WeakPolarHBondContact O-CA 3.27Å; Y363-N367 PolarHBondContact O-N 3.01Å; Y363-V368 WeakPolarHBondContact CA-O 3.44Å; Y363-V368 WeakPolarHBondContact CD2-O 3.41Å
364K96.9Very high97Very high165 Ų16572.7 Ų72.772%0.71738%0.384SS*.Hα-helixtrans-71.7-23175.7175.6167.5-75.2-110.30113.5G360 L361 Y362G360-K364 WeakPolarHBondContact O-CB 3.23Å; L361-K364 PolarHBondContact O-N 2.85Å; Y362-K364 VanDerWaalsContact C-N 3.25Å; Y362-K364 PolarHBondContact O-N 3.25Å
365L97.7Very high96.8Very high129 Ų12975 Ų7568%0.67539%0.389SS*.Hα-helixtrans-95.9-30.8-178-177.160000113L361 Y362 Y363L361-L365 PolarHBondContact O-N 3.32Å; L361-L365 VanDerWaalsContact O-N 3.16Å; Y362-L365 PolarHBondContact O-N 3.18Å; Y363-L365 VanDerWaalsContact C-N 3.31Å; Y363-L365 PolarHBondContact O-N 3.44Å
366H97.7Very high96.7Very high96 Ų9681.2 Ų81.244%0.44442%0.415SS..Hα-helixtrans-121.5-2.1-173.2-56.1-70.2000114Y362 V368Y362-H366 AromaticContact CD2-CD2 3.53Å; Y362-H366 AromaticContact CD2-NE2 3.97Å; Y362-H366 HydrophobicContact CE1-CB 4.32Å; Y362-H366 AromaticContact CE2-CD2 3.46Å; Y362-H366 VanDerWaalsContact CE2-CD2 3.46Å; Y362-H366 WeakPolarHBondContact CE2-CD2 3.41Å; Y362-H366 AromaticContact CE2-NE2 3.83Å; Y362-H366 AromaticContact CG-CD2 3.87Å; Y362-H366 AromaticContact CZ-CD2 3.74Å; Y362-H366 PolarHBondContact O-CD2 3.31Å; Y362-H366 PolarHBondContact O-N 2.84Å; H366-V368 HydrophobicContact CB-CG2 3.97Å; H366-V368 PolarHBondContact O-N 3.45Å
367N97.1Very high96.2Very high123 Ų12389.2 Ų89.266%0.65845%0.452SS*.SBendtrans56.64.1-175.7-71.361.3000116.3Y363Y363-N367 WeakPolarHBondContact CE2-O 3.31Å; Y363-N367 WeakPolarHBondContact O-CA 3.27Å; Y363-N367 PolarHBondContact O-N 3.01Å
368V97.2Very high95.8Very high81 Ų8188.9 Ų88.949%0.49146%0.457SS..SBendtrans-117.9157.5177.8-63.50000112Y362 Y363 H366Y362-V368 WeakPolarHBondContact CD1-O 3.22Å; Y362-V368 HydrophobicContact CE1-CG2 4.11Å; Y363-V368 WeakPolarHBondContact CA-O 3.44Å; Y363-V368 WeakPolarHBondContact CD2-O 3.41Å; H366-V368 HydrophobicContact CB-CG2 3.97Å; H366-V368 PolarHBondContact O-N 3.45Å
369N97Very high95.4Very high102 Ų10290.8 Ų90.855%0.54546%0.46SS..PPolyproline II helixtrans-61.8144.2178.5-78.270.2000112.2N337 Y362 P371N337-N369 PolarHBondContact ND2-ND2 3.29Å; Y362-N369 WeakPolarHBondContact CE1-O 3.44Å; N369-P371 WeakPolarHBondContact O-CD 3.24Å
370R97.6Very high95Very high43 Ų4396.7 Ų96.716%0.16249%0.487CS..PPolyproline II helixtrans-70.5123.1-179.6-167.7176.3-177.6-79.81.6110.2N337 C359 Y362 M374N337-R370 PolarHBondContact ND2-O 3.16Å; N337-R370 WeakPolarHBondContact OD1-CB 3.48Å; N337-R370 PolarHBondContact OD1-N 3.48Å; C359-R370 HydrophobicContact CB-CB 4.43Å; Y362-R370 HydrophobicContact CD1-CB 3.66Å; Y362-R370 HydrophobicContact CD1-CG 3.96Å; Y362-R370 HydrophobicContact CD2-CG 4.05Å; Y362-R370 HydrophobicContact CE1-CB 4.27Å; Y362-R370 HydrophobicContact CE1-CG 4.47Å; Y362-R370 HydrophobicContact CG-CB 3.85Å; Y362-R370 HydrophobicContact CG-CG 3.71Å; R370-M374 VanDerWaalsContact CZ-O 3.26Å; R370-M374 PolarHBondContact NH1-O 2.75Å; R370-M374 PolarHBondContact NH2-O 3.25Å
371P97.1Very high94.4Very high50 Ų50102.6 Ų102.633%0.32552%0.52SS..PPolyproline II helixtrans-67.6143.3-179.127-34.2000110.9Y362 N369 T373 M374Y362-P371 WeakPolarHBondContact OH-CD 3.22Å; N369-P371 WeakPolarHBondContact O-CD 3.24Å; P371-T373 VanDerWaalsContact C-N 3.25Å; P371-T373 PolarHBondContact O-N 3.12Å; P371-M374 HydrophobicContact CG-CG 3.98Å; P371-M374 HydrophobicContact CG-SD 3.83Å; P371-M374 PolarHBondContact O-N 2.9Å
372L96.1Very high93.7Very high99 Ų99109.1 Ų109.152%0.51854%0.539SS..G310 helixtrans-68.5-24.3-176.6-64.1-179.7000112.6C338 M374 K375C338-L372 HydrophobicContact CB-CD2 3.93Å; L372-M374 PolarHBondContact O-N 2.94Å; L372-K375 WeakPolarHBondContact O-CB 3.19Å; L372-K375 PolarHBondContact O-N 3.33Å
373T95.7Very high92.6Very high135 Ų135114.6 Ų114.683%0.82857%0.572SS**G310 helixtrans-56.5-28.7171.752.70000113.1P371P371-T373 VanDerWaalsContact C-N 3.25Å; P371-T373 PolarHBondContact O-N 3.12Å
374M94.1Very high91.5Very high97 Ų97120.3 Ų120.348%0.47859%0.593SS.*G310 helixtrans-86.4-0.7175.2-59.8-17988.800113.2Y362 R370 P371 L372 K376Y362-M374 HydrophobicContact CD2-SD 4.45Å; Y362-M374 HydrophobicContact CE2-CE 4.49Å; Y362-M374 HydrophobicContact CE2-SD 3.83Å; R370-M374 VanDerWaalsContact CZ-O 3.26Å; R370-M374 PolarHBondContact NH1-O 2.75Å; R370-M374 PolarHBondContact NH2-O 3.25Å; P371-M374 HydrophobicContact CG-CG 3.98Å; P371-M374 HydrophobicContact CG-SD 3.83Å; P371-M374 PolarHBondContact O-N 2.9Å; L372-M374 PolarHBondContact O-N 2.94Å; M374-K376 PolarHBondContact O-N 2.92Å
375K93.1Very high90.5Very high99 Ų99122.1 Ų122.143%0.4360%0.601SS.*  trans-70.1120-179.9-178.3178.9170.81750109C338 L372C338-K375 HydrophobicContact CB-CD 4.41Å; C338-K375 VanDerWaalsContact O-CE 3.27Å; C338-K375 WeakPolarHBondContact O-CE 3.18Å; C338-K375 PolarHBondContact O-NZ 2.9Å; L372-K375 WeakPolarHBondContact O-CB 3.19Å; L372-K375 PolarHBondContact O-N 3.33Å
376K92.9Very high88.8Confident139 Ų139123.9 Ų123.960%0.60461%0.608SS**  trans-96142.4165.1-170.1162.6-177.8157.70109M374 Q380M374-K376 PolarHBondContact O-N 2.92Å; K376-Q380 HydrophobicContact CD-CG 3.94Å
377E88Confident86.7Confident174 Ų174123.3 Ų123.381%0.81361%0.614SS**SBendtrans-61.1-63.5175.3176.9-76.6145.100110.2
378G87.4Confident84.9Confident28 Ų28123 Ų12329%0.28961%0.613SS.*SBendtrans-84.2145.1-179.700000115.6Q380G378-Q380 PolarHBondContact O-N 3.14Å
379I89.8Confident83.1Confident85 Ų85127.7 Ų127.744%0.43663%0.626SS.*  trans-66.8114.3170.2-61.3178000109.6T344 T381T344-I379 HydrophobicContact CG2-CG2 3.63Å; I379-T381 PolarHBondContact O-N 3.06Å
380Q88.8Confident81.2Confident130 Ų130127 Ų12761%0.60763%0.63SS**  trans-67.5127.9173.9-59.7-171.79.500111.5K376 G378K376-Q380 HydrophobicContact CD-CG 3.94Å; G378-Q380 PolarHBondContact O-N 3.14Å
381T84.2Confident79.2Confident139 Ų139132.7 Ų132.785%0.85366%0.656SS**  trans-82.9140.8163.650.10000109.7I379I379-T381 PolarHBondContact O-N 3.06Å
382R82.9Confident76.9Confident217 Ų217138.8 Ų138.882%0.81968%0.677SS**  trans-127.3131.4168.4-62.5-17880177.35.4107.4R384R382-R384 PolarHBondContact O-N 2.94Å
383N75.5Confident74.7Confident167 Ų167138.3 Ų138.389%0.89368%0.682SS**  trans-68.3100.7-179.5-170.83.8000109.9K385N383-K385 PolarHBondContact O-N 2.83Å
384R75.8Confident72.7Confident229 Ų229139.7 Ų139.786%0.86468%0.677SS**  trans-80.4104.9179.7-80.7-178.6157.1-167.6-8.2109.5R382 M386R382-R384 PolarHBondContact O-N 2.94Å; R384-M386 PolarHBondContact O-N 2.89Å
385K74.5Confident70.6Confident202 Ų202144.9 Ų144.988%0.87869%0.691SS**PPolyproline II helixtrans-49.9126.3161.2-67.3-172.5178-176.10108.4N383 S387N383-K385 PolarHBondContact O-N 2.83Å; K385-S387 PolarHBondContact O-N 3.33Å
386M63.2Low68.6Low167 Ų167143.7 Ų143.782%0.82370%0.699SS**PPolyproline II helixtrans-61.8127.2178.6-1796177.600109.2R384 N388R384-M386 PolarHBondContact O-N 2.89Å; M386-N388 PolarHBondContact O-N 3.36Å
387S53.8Low66.7Low83 Ų83141.4 Ų141.458%0.5870%0.701SS**PPolyproline II helixtrans-74120.3179.6-175.60000110K385 K389K385-S387 PolarHBondContact O-N 3.33Å; S387-K389 PolarHBondContact O-N 3.45Å
388N58.5Low64.9Low117 Ų117138.4 Ų138.463%0.62669%0.69SS**THydrogen-bonded Turntrans-67.56.1-180-78.1-41.1000114.7M386 S390 K391M386-N388 PolarHBondContact O-N 3.36Å; N388-S390 PolarHBondContact O-N 3.19Å; N388-K391 PolarHBondContact O-N 2.76Å
389K59.6Low63Low179 Ų179141.4 Ų141.478%0.77871%0.707SS**Hα-helixtrans-51.1-30.9-178.8-167.273.7173.1-177.80113.2S387S387-K389 PolarHBondContact O-N 3.45Å
390S57.5Low61.1Low89 Ų89145.8 Ų145.862%0.62272%0.719SS**Hα-helixtrans-70.4-23.4178.351.20000115.1N388N388-S390 PolarHBondContact O-N 3.19Å
391K54.5Low59.3Low162 Ų162145.5 Ų145.570%0.70472%0.718SS**Hα-helixtrans-73.6-30-179-82.3-173.6173.1-178.10113.9N388N388-K391 PolarHBondContact O-N 2.76Å
392K49.4Very low57.6Low177 Ų177146.3 Ų146.377%0.7771%0.712SS**Hα-helixtrans-72.6-32.7-178.2-170.470.1173.2-178.70112.2K394 R395K392-K394 PolarHBondContact O-N 2.78Å; K392-R395 PolarHBondContact O-N 2.73Å
393S49.8Very low56Low89 Ų89143.8 Ų143.862%0.62271%0.707SS**Hα-helixtrans-61.8-37.9-178.6-161.60000113.5R395 A396S393-R395 VanDerWaalsContact C-N 3.31Å; S393-R395 PolarHBondContact O-N 3.3Å; S393-A396 PolarHBondContact O-N 2.82Å
394K52.8Low55.2Low165 Ų165138.8 Ų138.872%0.71769%0.686SS**Hα-helixtrans-70.4-25.9-173.8-160.9168.4-175.8179.80113.1K392 A396K392-K394 PolarHBondContact O-N 2.78Å; K394-A396 VanDerWaalsContact C-N 3.3Å; K394-A396 PolarHBondContact O-N 2.87Å
395R50.6Low54Low205 Ų205135.1 Ų135.177%0.77468%0.676SS**Hα-helixtrans-75.3-11.9175.6-73.3-67.5-165.6177.24.3114.5K392 S393K392-R395 PolarHBondContact O-N 2.73Å; S393-R395 VanDerWaalsContact C-N 3.31Å; S393-R395 PolarHBondContact O-N 3.3Å
396A51.4Low52.6Low74 Ų74130.4 Ų130.461%0.61267%0.669SS**Hα-helixtrans-88.6-19176.500000112.9S393 K394S393-A396 PolarHBondContact O-N 2.82Å; K394-A396 VanDerWaalsContact C-N 3.3Å; K394-A396 PolarHBondContact O-N 2.87Å
397S53.3Low52.1Low91 Ų91129.4 Ų129.464%0.63667%0.666SS**Hα-helixtrans-76.5-33.7-176.1-162.80000113.2S399S397-S399 VanDerWaalsContact C-N 3.32Å
398D48.9Very low52Low111 Ų111133.6 Ų133.659%0.59468%0.676SS**THydrogen-bonded Turntrans-82.1-12.5-175.5-52.4-48.2000112.4Y400D398-Y400 PolarHBondContact O-N 3.1Å
399S48.1Very low51.1Low92 Ų92134.8 Ų134.864%0.64368%0.682SS**THydrogen-bonded Turntrans-86.22.9-167.9-167.40000115.4S397S397-S399 VanDerWaalsContact C-N 3.32Å
400Y49.1Very low50.3Low176 Ų176135.9 Ų135.969%0.6969%0.687SS**THydrogen-bonded Turntrans-109.3-24.8-173.6-164.9-96.7000113.9D398 S404D398-Y400 PolarHBondContact O-N 3.1Å; Y400-S404 PolarHBondContact O-OG 2.81Å
401E52.4Low49.5Very low125 Ų125137 Ų13758%0.58470%0.695SS**THydrogen-bonded Turntrans-70.2-36.7178.5-77.1-68129.800112.8S404E401-S404 PolarHBondContact O-N 3.49Å
402E48.2Very low48.8Very low155 Ų155134.8 Ų134.872%0.72470%0.7SS**THydrogen-bonded Turntrans-61.7-46.5-177.9-154.876.2-109.100111.9S404 K405E402-S404 PolarHBondContact O-N 3.25Å; E402-K405 PolarHBondContact O-N 2.9Å
403F48.1Very low48.1Very low164 Ų164132.1 Ų132.172%0.71970%0.704SS**THydrogen-bonded Turntrans-66-26.9-176.5-167.9-103.9000112.8K405F403-K405 VanDerWaalsContact C-N 3.28Å; F403-K405 PolarHBondContact O-N 3.38Å
404S59.4Low47.4Very low63 Ų63137.6 Ų137.644%0.44172%0.716SS.*THydrogen-bonded Turntrans-74.4-16.2-176.8-59.40000113.6Y400 E401 E402Y400-S404 PolarHBondContact O-OG 2.81Å; E401-S404 PolarHBondContact O-N 3.49Å; E402-S404 PolarHBondContact O-N 3.25Å
405K50.9Low46.6Very low151 Ų151136.7 Ų136.766%0.65773%0.725SS**THydrogen-bonded Turntrans-94-25.9-176.8-67.5178.8-177172.20114.1E402 F403 L407E402-K405 PolarHBondContact O-N 2.9Å; F403-K405 VanDerWaalsContact C-N 3.28Å; F403-K405 PolarHBondContact O-N 3.38Å; K405-L407 PolarHBondContact O-N 2.86Å
406S45.6Very low46Very low104 Ų104131.3 Ų131.373%0.72772%0.724SS**THydrogen-bonded Turntrans-73.6-5.8-174.9-169.90000115
407L52.5Low45.2Very low145 Ų145134.3 Ų134.376%0.75974%0.735SS**THydrogen-bonded Turntrans-97-4.5-171.1-117.1173.7000115.2K405K405-L407 PolarHBondContact O-N 2.86Å
408H50.8Low44.5Very low171 Ų171134.7 Ų134.779%0.79274%0.738SS**SBendtrans-100.8-8.7-174.4-84.293.7000115.4
409D40.9Very low44.3Very low143 Ų143137.7 Ų137.777%0.76575%0.753SS**SBendtrans-94.4-1.7-162.4-154.1-118.7000115.2
410K43.1Very low43.9Very low201 Ų201137.8 Ų137.887%0.87476%0.759SS**  trans-133.882.3-170-68.2-167.5175.9-176.50114.4
411S40.1Very low43.1Very low113 Ų113132.6 Ų132.679%0.7976%0.76SS**  trans-134.663.9170.566.20000113.4
412S39.3Very low42.7Very low115 Ų115134.3 Ų134.380%0.80477%0.767SS**  trans-174.3113.8154.545.10000113.9
413S35Very low42.1Very low122 Ų122134.1 Ų134.185%0.85377%0.768SS**  trans169.5143.5134-77.90000110.9
414F35.5Very low41.7Very low203 Ų203131.8 Ų131.889%0.8977%0.767SS**  trans-85.8147.4-173.8-82.3-112.6000113.2
415T35.8Very low40.7Very low147 Ų147136.8 Ų136.890%0.90279%0.786SS**  -171.4170.4113.421.60000110.7
416A37.9Very low39.8Very low91 Ų91132.5 Ų132.575%0.75279%0.785SS**  trans-121.1-166.2-159.500000114
417T34.4Very low39.4Very low137 Ų137135.6 Ų135.684%0.8479%0.788SS**  trans91.1125.4178.4-38.80000112.2
418S38.8Very low38.8Very low99 Ų99135.3 Ų135.369%0.69279%0.786SS**  cis-163.2153.31.842.60000113.4
419L44.3Very low39.3Very low174 Ų174132.2 Ų132.291%0.91178%0.781SS**  trans41.2135.7131.3-157.478.3000119.9
420A39.3Very low39.8Very low94 Ų94129.9 Ų129.978%0.77777%0.774SS**  cis-168173.2-13.300000107.1
421G33.7Very low39.3Very low68 Ų68129.9 Ų129.970%0.70177%0.774SS**  cis176.7172.9-500000111.5
422H44.2Very low38.9Very low160 Ų160127.1 Ų127.174%0.74176%0.764SS**  trans29.8141.4142.6-122.2-89.1000120.4
423M34.7Very low38.9Very low151 Ų151129.7 Ų129.774%0.74476%0.762SS**  cis-151.9146.735.8-42.7-125.1157.400110.4
424T40.4Very low38.9Very low115 Ų115130.1 Ų130.171%0.70676%0.76SS**  65.3136.982.9-119.20000115.8
425M37.6Very low38.8Very low168 Ų168123.8 Ų123.883%0.82875%0.752SS**  cis-167152.1-7.4-135.8-72.3-69.400113.2
426G33Very low39.1Very low62 Ų62125.3 Ų125.364%0.63975%0.749SS**  trans81.5178.4156.900000119.9
427H35.6Very low39.1Very low168 Ų168128.5 Ų128.578%0.77875%0.747SS**  cis-176.6133.9-38.2179.8-124.6000111
428L41.3Very low39.1Very low140 Ų140128.8 Ų128.873%0.73374%0.741SS**  trans73.9147.3170.4-70.5171.2000122.8
429P61.2Low39.2Very low106 Ų106131.3 Ų131.369%0.68875%0.746SS**  trans-100.6-169.8165.644.7-36.3000111.4
430P51.2Low39.5Very low94 Ų94128.7 Ų128.761%0.6174%0.74SS**  -161.6179.683.639.4-15.9000118.9
431F33.1Very low39.5Very low200 Ų200129.9 Ų129.988%0.87774%0.737SS**  trans62.2161.1162.4-52-56000119.6
432G30.9Very low40.2Very low55 Ų55132.6 Ų132.657%0.56774%0.742SS**  cis170.9168.7-9.500000113.8
433H38.9Very low40.2Very low169 Ų169130.9 Ų130.978%0.78274%0.743SS**  trans72140.5166.9-46.8-66.9000117.9
434T36.1Very low41.3Very low132 Ų132128.8 Ų128.881%0.8174%0.741SS**  cis106119.19.466.50000117.1
435G33.4Very low41.1Very low69 Ų69131.3 Ų131.371%0.71175%0.748SS**  trans132.8134.317100000112
436H40.8Very low41.2Very low180 Ų180130.5 Ų130.583%0.83374%0.742SS**  cis123.9113.42.9-90-83.2000113.2
437H38.3Very low42.1Very low157 Ų157133.2 Ų133.273%0.72775%0.749SS**  trans86.6133140.9-117.8-140.2000123.6
438M35.1Very low42.3Very low143 Ų143129 Ų12970%0.70474%0.738SS**  trans104.1147.5146.6-62.2-66.381.800124.2
439L40.1Very low42.2Very low153 Ų153133 Ų13380%0.80175%0.75SS**  trans-96.9178.4-179.7-79.7164.2000109.6
440P51.4Low40.9Very low119 Ų119131.3 Ų131.377%0.77375%0.752SS**  cis-149.7-171.630.744.1-21.7000118.8
441T38.1Very low40.5Very low118 Ų118135.2 Ų135.272%0.72476%0.762SS**  trans-77.8157171.9-17.50000113
442P49.5Very low41.6Very low125 Ų125131.5 Ų131.581%0.81276%0.758SS**  -145.9-170.795.738.1-20.2000115.6
443T42.6Very low42.2Very low124 Ų124136 Ų13676%0.76176%0.764SS**  trans-112.4-165-175.861.70000111.1
444P58.6Low42.2Very low108 Ų108136.2 Ų136.270%0.70177%0.765SS**  cis-130.9-165.8-20.238.9-20.1000113.1
445I36.3Very low42.7Very low167 Ų167134 Ų13486%0.85676%0.755SS**  trans174.3153.3136-90.5156.6000111.6
446H39.9Very low43.4Very low151 Ų151137.5 Ų137.570%0.69976%0.757SS**  trans-147.1145.7-179.8-167.9-104000110.8S448H446-S448 PolarHBondContact CE1-N 3.21Å; H446-S448 PolarHBondContact CE1-OG 3.42Å; H446-S448 VanDerWaalsContact CE1-OG 3.25Å; H446-S448 PolarHBondContact ND1-OG 3.11Å
447P51.7Low43.6Very low119 Ų119137.1 Ų137.177%0.77376%0.758SS**  -141148.7117.332.6-17.2000112.7
448S39Very low44.2Very low79 Ų79136.7 Ų136.755%0.55277%0.766SS**  cis101.192.931.4-71.30000115.1H446H446-S448 PolarHBondContact CE1-N 3.21Å; H446-S448 PolarHBondContact CE1-OG 3.42Å; H446-S448 VanDerWaalsContact CE1-OG 3.25Å; H446-S448 PolarHBondContact ND1-OG 3.11Å
449F39.9Very low45.1Very low225 Ų225136 Ų13699%0.98777%0.77SS**  trans-158.1149.2151.6-80-77.8000106.8
450G34.9Very low45.4Very low71 Ų71132.7 Ų132.773%0.73276%0.764SS**  cis-177138.8-8.400000110.2
451H42.7Very low45.1Very low175 Ų175136.2 Ų136.281%0.8177%0.773SS**  trans-81.9175.3-179.3-80.4-62.8000112.4
452P55.3Low45.8Very low123 Ų123138 Ų13880%0.79982%0.815SS**  cis-128.416821.327.2-2.4000116.4
453H43.6Very low45.6Very low150 Ų150138.7 Ų138.769%0.69482%0.816SS**  cis94.7106.633.9-132.6-66.7000114.5
454H39.2Very low45.8Very low173 Ų173139.5 Ų139.580%0.80182%0.818SS**  trans-144.7134.1153.7166.1-115.7000108.8
455S47.2Very low45.1Very low86 Ų86141.2 Ų141.260%0.60183%0.825SS**  trans-153.3135.5177.351.90000107.2
456N46.6Very low45.6Very low141 Ų141139.7 Ų139.775%0.75482%0.823SS**  trans-144.1147.4170.8-148.8-2.7000111.8
457M46.6Very low46Very low172 Ų172139 Ų13985%0.84783%0.831SS**  trans-132.9140.3178.5-52.1-174.5-58.800107
458V50.9Low45.6Very low148 Ų148140.3 Ų140.390%0.89784%0.835SS**  trans-145.3155.5169.4105.60000110.9
459T53.6Low46.1Very low129 Ų129144.7 Ų144.779%0.79186%0.855SS**  trans-131.4160.2-166.5-48.40000109.6
460A46.4Very low46.5Very low83 Ų83138.5 Ų138.569%0.68685%0.845SS**  trans86.5135.2154.600000119.5
461M45.5Very low47.5Very low193 Ų193144.2 Ų144.295%0.95185%0.854SS**  trans59.3117.3138.9-60.8-72.7-77.800119.9
462G52.5Low47.9Very low157 Ų157141.4 Ų141.4100%1.61986%0.858SS**  trans-167.80164.900000108.9

Retrieved 462 of 462 residues in 107.5 ms (Link to these results)