A0A087XPC2_POEFO Loading...

EWS RNA-binding protein 1b

AlphaFold DB , UniProt , Accession A0A087XPC2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 602 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
1M32.4Very low37Very low240 Ų240146.1 Ų146.1100%1.18282%0.821SS**  0120.40-66.7164-178.200105.5
2A38.5Very low36.5Very low91 Ų91148.8 Ų148.875%0.75282%0.822SS**  71122.460.600000110.2
3S37.6Very low35.9Very low122 Ų122145.5 Ų145.585%0.85382%0.816SS**  cis-145.8177.19.4-70.90000112.7
4A35.8Very low35.4Very low95 Ų95140 Ų14079%0.78581%0.808SS**  trans-78.4159.1178.900000113.8
5P56.4Low35.2Very low119 Ų119136.9 Ų136.977%0.77381%0.806SS**  trans-97.7176.3-175.139.7-37.3000115.2
6D40.9Very low34.9Very low148 Ų148138.4 Ų138.479%0.79180%0.803SS**  trans-62.7159.4174.6-45-108000114.8
7Y31.3Very low34.8Very low225 Ų225140.2 Ų140.288%0.88280%0.802SS**  -167.7178.1100.5-143.6-111.2000111.9
8S39.3Very low34.6Very low97 Ų97136.2 Ų136.268%0.67880%0.796SS**  trans-139.3167.7-178.6-172.50000112.5
9S31.4Very low34.4Very low92 Ų92141.3 Ų141.364%0.64380%0.802SS**  trans89.6159.2166.581.50000120.6
10Y28.6Very low34.2Very low230 Ų230138.4 Ų138.490%0.90280%0.796SS**  trans76.6154.8171.8-80.9-82.7000121.1
11N34.6Very low34Very low148 Ų148136.3 Ų136.379%0.79179%0.79SS**  trans-150.5118-161.7163.315.3000108.2
12Q30.8Very low33.9Very low178 Ų178135.3 Ų135.383%0.83278%0.775SS**  trans-163.1163.6162.4-121.5178.726.500114.1
13S28.7Very low33.5Very low107 Ų107135.6 Ų135.675%0.74878%0.777SS**  trans-30.2159.4165.647.40000118.7
14G28.8Very low33Very low68 Ų68134.4 Ų134.470%0.70177%0.774SS**  cis155.4-165.43.500000112.7
15A32.1Very low33Very low93 Ų93138.3 Ų138.377%0.76978%0.776SS**  trans69.7150.2-175.900000115.1
16Q31.3Very low32.7Very low162 Ų162137.3 Ų137.376%0.75777%0.77SS**  cis-165.6160.6-11.5-115.3-175.978.700107.4
17Q33.1Very low32.2Very low169 Ų169135.1 Ų135.179%0.7977%0.766SS**  cis-117.8-127-3.1-60.1-167.8-22.900110.5
18G30.3Very low32.6Very low67 Ų67129 Ų12969%0.69175%0.746SS**  cis-177.6-168.12.900000114.9
19Y30.7Very low32.1Very low233 Ų233129.8 Ų129.891%0.91474%0.742SS**  trans-95.3153.4-175.8-74.7-94.6000112.1
20A32.1Very low32Very low83 Ų83133.4 Ų133.469%0.68674%0.743SS**  cis-150.4-177.6-4.600000107.9
21S30.1Very low32.2Very low96 Ų96125.9 Ų125.967%0.67174%0.735SS**  cis-159.6148.614.9-15.20000111.5
22Y30.4Very low32.2Very low219 Ų219127.9 Ų127.986%0.85974%0.74SS**  trans36.9111.4155.7-56.7-68.6000120.2
23A29.2Very low32.2Very low97 Ų97125.1 Ų125.180%0.80274%0.74SS**  86.6138.565.800000113.5
24A27.5Very low32.1Very low96 Ų96124.8 Ų124.879%0.79374%0.744SS**  cis-149.1174-0.300000113
25Q34.3Very low32.1Very low178 Ų178129.7 Ų129.783%0.83275%0.749SS**  trans-113.6-167.4172-74.4-87.9-48.200108.7
26P51.1Low32Very low97 Ų97133.8 Ų133.863%0.6375%0.752SS**  -132-162.3-6840.1-23.8000112.5
27S30.7Very low31.7Very low103 Ų103129.1 Ų129.172%0.7275%0.747SS**  trans73.2175145.674.10000121.2
28Q39.9Very low31.2Very low96 Ų96132.3 Ų132.345%0.44975%0.754SS.*  cis-172.3115.4-47.5-86.2-160.1-0.100110.5P167 T168Q28-P167 HydrophobicContact CB-CG 3.79Å; Q28-P167 HydrophobicContact CG-CG 3.32Å; Q28-T168 HydrophobicContact CB-CG2 3.97Å; Q28-T168 PolarHBondContact OE1-OG1 3.43Å
29N27.4Very low31.3Very low114 Ų114132.6 Ų132.661%0.6176%0.756SS**  trans-163.4148.6165.4-15387.7000117.6P167 T168N29-P167 CarbonylContact C-O 3.57Å; N29-T168 CarbonylContact C-O 3.48Å; N29-T168 WeakPolarHBondContact CA-O 3.35Å
30Y30.9Very low31.1Very low168 Ų168129 Ų12966%0.65975%0.748SS**  trans-81.3170.5-176.9-99.4-169.4000117.5P167 T168Y30-P167 VanDerWaalsContact CD2-C 3.48Å; Y30-P167 PolarHBondContact N-O 3.25Å; Y30-T168 VanDerWaalsContact CB-O 3.28Å; Y30-T168 WeakPolarHBondContact CB-O 3.28Å; Y30-T168 PolarHBondContact N-O 2.82Å
31G32.7Very low31Very low72 Ų72132.6 Ų132.674%0.74275%0.751SS**  150.693.7128.700000122.9
32Q33Very low30.7Very low189 Ų189134.5 Ų134.588%0.88375%0.753SS**  trans28.8155.2146.2-67-166.123.100127.2
33S30.9Very low30.5Very low120 Ų120134.7 Ų134.784%0.83975%0.754SS**  trans80.2155.5156.882.40000117.9
34A28.3Very low30.5Very low101 Ų101133.2 Ų133.284%0.83575%0.748SS**  cis-146.7-1581.500000112.5
35Q28Very low30.5Very low171 Ų171133.8 Ų133.880%0.79975%0.746SS**  trans-102.1171.6-171.5-78-163.2-31.100116.9
36Q29.1Very low30.1Very low178 Ų178136 Ų13683%0.83275%0.749SS**  trans84143.1160.2-45.2-173.516.300116.7
37G25.3Very low29Very low64 Ų64138 Ų13866%0.6676%0.759SS**  cis172174.3-8.400000114.4
38Y24.3Very low29.2Very low237 Ų237141.4 Ų141.493%0.92976%0.764SS**  trans74.3148166-65.6-85.4000122
39G31.5Very low29.2Very low72 Ų72142.8 Ų142.874%0.74278%0.781SS**  trans108.387.8171.900000114.8
40Q27.3Very low29.6Very low157 Ų157142 Ų14273%0.73479%0.79SS**  73.4113.857-75.8-79.133.800117.2
41Q29.2Very low29.6Very low160 Ų160139 Ų13975%0.74880%0.8SS**  trans70.9158.8155.8-54.8168.919.800116.7
42N23.6Very low29.4Very low135 Ų135140.4 Ų140.472%0.72281%0.805SS**  cis-149.1176.94.9-152.72.1000114.3
43Y27.2Very low29.3Very low224 Ų224135.7 Ų135.788%0.87880%0.798SS**  trans-30.6150.6175.3-100.3-117.4000122.7
44G28.8Very low29.3Very low66 Ų66134.4 Ų134.468%0.6880%0.795SS**  trans103.2165.6136.800000118.2
45S26.4Very low29.5Very low107 Ų107136.8 Ų136.875%0.74879%0.793SS**  cis-179.3120.8-32.844.40000110.9
46Y27.1Very low29.6Very low226 Ų226133.4 Ų133.489%0.88679%0.789SS**  trans63.5146.8160.1-75.4-75.9000123.3
47T27.6Very low29.9Very low137 Ų137130.2 Ų130.284%0.8479%0.786SS**  trans77.8136.4151.723.70000122.1
48Q33.9Very low29.9Very low175 Ų175137.6 Ų137.682%0.81880%0.796SS**  trans-73.5166.6161.4-63.9178.2-33.700111.4
49P41.6Very low30.2Very low126 Ų126132 Ų13282%0.81879%0.786SS**  trans-109.9148.3133.335.1-29.9000111.6
50A34.8Very low30Very low96 Ų96136.5 Ų136.579%0.79379%0.788SS**  trans-98.5160.916700000110.6
51A30.3Very low30Very low105 Ų105135.7 Ų135.787%0.86879%0.794SS**  trans-142.414417200000111.2
52A29.3Very low30.1Very low102 Ų102134.1 Ų134.184%0.84380%0.795SS**  trans-112.4-176.3171.500000108.6
53A31.2Very low31.3Very low91 Ų91133.7 Ų133.775%0.75280%0.8SS**  cis-159.6-165.11200000110.6
54A31.6Very low31.5Very low93 Ų93127.2 Ų127.277%0.76979%0.793SS**  trans75.9138.2161.800000118
55D32.8Very low31.6Very low150 Ų150129 Ų12980%0.80280%0.801SS**  cis-163.2-179.6-17-142.4-50.5000111.1
56S30Very low31.7Very low101 Ų101127.7 Ų127.771%0.70680%0.804SS**  trans108.460161.5-46.30000119.7
57S33.3Very low31.8Very low111 Ų111120.4 Ų120.478%0.77680%0.798SS**  52.9158.3123.869.70000125.3
58Y25.8Very low31.8Very low218 Ų218124.8 Ų124.886%0.85580%0.801SS**  trans74125.7173.9-113-117.6000117.2
59T31Very low31.6Very low119 Ų119121 Ų12173%0.7380%0.8SS**  cis-141.5165.72.9-21.60000112
60Q27Very low31.1Very low168 Ų168123.3 Ų123.379%0.78580%0.8SS**  trans-109.9142.3-169.7169.4-170.26400113.2
61T26.9Very low30.9Very low140 Ų140125.7 Ų125.786%0.85980%0.795SS**  trans-166117.8141.24.30000113
62T31.5Very low30.8Very low126 Ų126127.2 Ų127.277%0.77378%0.784SS**  trans-170.8174.7173.219.20000107.5
63P49.6Very low30.9Very low126 Ų126129.5 Ų129.582%0.81878%0.777SS**  cis-94.2-117.7-3.715.58.3000109.9
64A31.6Very low30.7Very low89 Ų89133.4 Ų133.474%0.73678%0.779SS**  cis-168.2166.8-5.100000107.1
65A31.2Very low30.6Very low103 Ų103139.5 Ų139.585%0.85178%0.784SS**  cis-171.4166.1-24.100000105.5
66G28.4Very low30.5Very low79 Ų79135.7 Ų135.781%0.81478%0.781SS**  cis-179.1-156.21.400000107.5
67G28.1Very low30.7Very low73 Ų73135.7 Ų135.775%0.75378%0.78SS**  trans112.7163.6170.800000115.8
68Y28.1Very low30.7Very low229 Ų229135.3 Ų135.390%0.89878%0.778SS**  trans-148.6138.9-158.740.1-97.6000113.6
69A30.2Very low30.8Very low97 Ų97135.9 Ų135.980%0.80278%0.78SS**  trans-174.2119.2155.900000106.6
70Q30.5Very low31Very low173 Ų173133.7 Ų133.781%0.80878%0.782SS**  78.479.566-163174.717.600115.4
71Q30.3Very low31.2Very low147 Ų147134 Ų13469%0.68778%0.783SS**  74.1123.4118-159.7177.928.900122.1
72Q28.5Very low31.7Very low137 Ų137135 Ų13564%0.6478%0.778SS**  trans81128.2144.9-90.4-168.292.200123.8
73Q31.6Very low32.2Very low150 Ų150135.3 Ų135.370%0.70178%0.782SS**  trans65164.1146.9-44.4-8811.100115.4
74Q27.8Very low31.2Very low172 Ų172133.2 Ų133.280%0.80478%0.775SS**  cis-151.6170.85.7-152.9163.2-65.400110.7
75Y28.4Very low31.2Very low221 Ų221136 Ų13687%0.86778%0.783SS**  trans-66.3145.3171.9-123.9-107000112.9
76G30.7Very low31Very low71 Ų71134.8 Ų134.873%0.73278%0.781SS**  trans-160.2147.2170.800000111.2
77S34.8Very low31.1Very low100 Ų100142 Ų14270%0.69979%0.786SS**  trans-146170.6-173-61.30000112.6
78S32.6Very low32.4Very low104 Ų104143.8 Ų143.873%0.72778%0.784SS**  trans77.7151.2-178.687.10000115.1
79Y29.3Very low33.8Very low229 Ų229137.9 Ų137.990%0.89877%0.773SS**  cis-141.4151.42.4-117.8-69.6000109.8
80G33.2Very low33.7Very low74 Ų74140.3 Ų140.376%0.76378%0.778SS**  trans178.5143.5173.200000112.7
81Q31.3Very low33.8Very low174 Ų174140.8 Ų140.881%0.81378%0.781SS**  trans-113.2172.4-167.9-92.2-99.641.400114.4
82Q38.5Very low33.6Very low160 Ų160139.7 Ų139.775%0.74879%0.789SS**  trans-60.3174.3-170.8-56.7176.5-3500116
83P41.1Very low33.7Very low133 Ų133139.6 Ų139.686%0.86480%0.798SS**  -139.7164.999.639.9-29.7000115.4
84A29.9Very low33.5Very low82 Ų82137.2 Ų137.268%0.67880%0.804SS**  trans-140.9120.8168.100000112.5
85T30.3Very low33.6Very low147 Ų147138.6 Ų138.690%0.90281%0.81SS**  trans28.3125.5154.855.40000122.3
86G27.3Very low33.5Very low78 Ų78131.9 Ų131.980%0.80481%0.808SS**  trans-152.9151.5162.300000113.1
87Y31.6Very low33.2Very low232 Ų232139.4 Ų139.491%0.9182%0.816SS**  trans-117.1-170.4-173.4-99.9-85.5000110.2
88P55Low33Very low110 Ų110139.6 Ų139.671%0.71482%0.817SS**  cis-129.3-125.8-20.836-13000109.8
89P56.5Low32.9Very low104 Ų104143.9 Ų143.968%0.67583%0.826SS**  cis-129.5175.9-42.737.9-21.6000115.4
90T28.5Very low33Very low148 Ų148138.2 Ų138.291%0.90882%0.82SS**  trans-160.4165.3138.2-1.10000111.6
91Q32.1Very low33Very low184 Ų184139.6 Ų139.686%0.8682%0.824SS**  trans-133.5158-172.4-68.5-179.5-17.700113
92S26.6Very low33Very low124 Ų124140.5 Ų140.587%0.86783%0.828SS**  trans-148.8163.1152.955.40000110.2
93T30Very low32.7Very low134 Ų134136.6 Ų136.682%0.82283%0.83SS**  trans-122.7148.3-154.640.50000115
94A27.1Very low32.2Very low101 Ų101142.2 Ų142.284%0.83584%0.836SS**  trans174.7164.2137.600000112.2
95H31.5Very low32.2Very low201 Ų201142.1 Ų142.193%0.93184%0.843SS**  trans-96.7155.6179.7-55.7-98.7000112.6
96G25.1Very low32.1Very low79 Ų79139.7 Ų139.781%0.81484%0.838SS**  trans-170.9147.7169.600000112.3
97Y26Very low32.3Very low229 Ų229142 Ų14290%0.89884%0.842SS**  trans-122.6178.1-176.9-150.9-99.2000110.5
98S29.1Very low32.2Very low105 Ų105133.9 Ų133.973%0.73483%0.828SS**  trans84.7131.1164.476.10000119.1
99Q32Very low31Very low193 Ų193139.2 Ų139.290%0.90284%0.836SS**  trans-74.7160.6148.8-63.4172.5-14.200108.7
100S30.5Very low29.8Very low110 Ų110142.2 Ų142.277%0.76985%0.846SS**  trans-146136.4148.363.50000112.3
101A33.8Very low29.9Very low103 Ų103138.3 Ų138.385%0.85184%0.835SS**  trans-128.1139.815300000105.8
102Q31.1Very low30Very low194 Ų194136.3 Ų136.391%0.90784%0.836SS**  trans-109.3132.1-176.8-70.2-175.2-2100111
103G32.2Very low31Very low77 Ų77136 Ų13679%0.79483%0.831SS**  trans177105.5176.500000110.3
104Y30Very low31.1Very low252 Ų252133.7 Ų133.799%0.98883%0.826SS**  trans-83.1145.9-175-89.2-105.6000112.9
105G30.4Very low31.3Very low80 Ų80135.6 Ų135.683%0.82583%0.827SS**  trans164.1132.1169.300000110.5
106A28.4Very low31.2Very low95 Ų95130.8 Ų130.879%0.78582%0.822SS**  trans-129.8151.4-165.200000114.7
107S30.6Very low31.5Very low128 Ų128131.8 Ų131.890%0.89582%0.823SS**  trans69140.6167.5-54.10000117.4
108G29.6Very low31.7Very low60 Ų60125.3 Ų125.362%0.61982%0.816SS**  cis175.5154.3-8.200000113.7
109Y30.6Very low32.6Very low222 Ų222126 Ų12687%0.87182%0.818SS**  trans44.5125.9162.574.2-92.8000123.2
110D31.3Very low32.6Very low168 Ų168121.5 Ų121.590%0.89881%0.814SS**  trans61158.8137-115.3-59000124.8
111G30.7Very low32.7Very low66 Ų66121 Ų12168%0.6882%0.817SS**  trans105.3104.8158.200000119.5
112T34.3Very low32.6Very low141 Ų141121.4 Ų121.487%0.86581%0.813SS**  trans-81.7156.5144.935.10000109.1
113P47.8Very low32.6Very low119 Ų119120.7 Ų120.777%0.77381%0.81SS**  -156.6170.852.343.7-21.6000120.6
114A31.1Very low32.3Very low85 Ų85121.2 Ų121.270%0.70280%0.801SS**  trans38.5142.2139.800000126.3
115T31.4Very low32.2Very low141 Ų141120.4 Ų120.487%0.86580%0.798SS**  trans86.3149.6140.7300000123.8
116A30.6Very low32.2Very low100 Ų100120.3 Ų120.383%0.82680%0.798SS**  trans72.3150.5170.200000118
117A29.4Very low32.4Very low100 Ų100121.8 Ų121.883%0.82680%0.802SS**  cis-163.4174.5-22.800000110.2
118A31.9Very low32.3Very low92 Ų92124.3 Ų124.376%0.7680%0.8SS**  trans-94.1164.6-17900000114.4
119P48Very low33.4Very low119 Ų119127.3 Ų127.377%0.77381%0.808SS**  -130.2161.8107.611.710.7000111.8
120A31.8Very low33.3Very low99 Ų99120.2 Ų120.282%0.81880%0.803SS**  cis76.7137.936.600000115.2
121A31.4Very low33.5Very low100 Ų100123.1 Ų123.183%0.82680%0.803SS**  cis-169.9151.3-17.900000112.4
122S33Very low33.5Very low111 Ų111127 Ų12778%0.77681%0.813SS**  trans-164.2131.2160.944.50000109
123Q31.1Very low33.4Very low179 Ų179125.1 Ų125.184%0.83681%0.812SS**  66.3131.965.1-59.8-68.313.800113.1
124S25.2Very low32.3Very low88 Ų88128.3 Ų128.362%0.61582%0.816SS**  cis-168.3150.12.7176.90000112.2
125Y28.1Very low32.6Very low235 Ų235129.8 Ų129.892%0.92282%0.822SS**  trans41.2142.5156.7-85.8-108.1000123.9
126G30.1Very low32.5Very low79 Ų79127.8 Ų127.881%0.81482%0.819SS**  trans170.6134.9161.400000116.3
127S31.8Very low32.5Very low126 Ų126133.5 Ų133.588%0.88182%0.821SS**  trans-100.4165.5-166.8-57.10000117.1
128Q30.2Very low33.5Very low180 Ų180133.6 Ų133.684%0.84181%0.813SS**  trans-75.5179.9162.2-68.2-84.6-48.200111.9
129P52.5Low33.4Very low124 Ų124131.8 Ų131.881%0.80580%0.803SS**  cis-133.9-167.8-1.642.5-25.1000114.8
130G28.5Very low32.5Very low73 Ų73137 Ų13775%0.75381%0.809SS**  trans-173.4145.616500000116.3
131Y35.3Very low32.5Very low229 Ų229135.8 Ų135.890%0.89881%0.807SS**  trans-135.5156.4-178.8-102.7-90.4000111.2
132T30.5Very low32.5Very low147 Ų147139 Ų13990%0.90280%0.804SS**  trans148.9160.6157.239.30000110.2
133A30.9Very low32.4Very low101 Ų101141.3 Ų141.384%0.83580%0.803SS**  cis-162.5-171.1-23.300000109.8
134Q26Very low32.3Very low186 Ų186137.4 Ų137.487%0.86980%0.801SS**  trans-139.8153.6-164.6172.3-175.1-15.100112.6
135S37.2Very low32.4Very low117 Ų117139.7 Ų139.782%0.81881%0.812SS**  trans130.7156.2164.6-67.90000113.7
136A28.8Very low33.5Very low98 Ų98134.1 Ų134.181%0.8180%0.804SS**  cis-165.9-177.4-15.200000112.3
137Y29.8Very low33.5Very low221 Ų221135.9 Ų135.987%0.86780%0.804SS**  trans-81163.7-176.6-100.5-81.1000115.9
138P50.7Low33.4Very low102 Ų102134.2 Ų134.266%0.66280%0.798SS**  -135.6175.993.436.8-23000112.8Y140P138-Y140 HydrophobicContact CB-CE2 4.35Å
139G30.3Very low34Very low53 Ų53130.9 Ų130.955%0.54679%0.792SS.*  cis120.4136.711.600000110.4
140Y30.2Very low32.9Very low229 Ų229133.7 Ų133.790%0.89879%0.794SS**  cis-158.61743.7-48.2-89000110.1P138P138-Y140 HydrophobicContact CB-CE2 4.35Å
141G31.2Very low32.9Very low74 Ų74135.6 Ų135.676%0.76380%0.796SS**  trans-178.8165.8174.300000115.2
142Q31.6Very low32.5Very low167 Ų167129.1 Ų129.178%0.7879%0.79SS**  trans-160.5150.4-172.9-109.7-72.272.800118.3
143Q31Very low32.3Very low160 Ų160129.6 Ų129.675%0.74879%0.787SS**  trans12.2134150.8-179.4174.68.400125.2
144A28Very low32.3Very low97 Ų97129.1 Ų129.180%0.80278%0.777SS**  -178.5158.3128.400000114.7
145T28.3Very low32.6Very low135 Ų135127.8 Ų127.883%0.82877%0.771SS**  trans-132.4157.4170.657.60000110.3
146P49.7Very low32.6Very low119 Ų119128.5 Ų128.577%0.77377%0.773SS**  -133.2-153.58425-0.9000110.8
147S31Very low32.6Very low115 Ų115127.9 Ų127.980%0.80477%0.768SS**  cis-154.5-178.314.6-57.50000111.9
148A29.8Very low32.5Very low91 Ų91123.5 Ų123.575%0.75277%0.77SS**  trans-139.8170168.100000110.7
149P42.9Very low31.4Very low110 Ų110128.7 Ų128.771%0.71478%0.778SS**  -153.6156.490.440.1-22.3000118.2
150Q29.6Very low31.2Very low184 Ų184131.6 Ų131.686%0.8678%0.781SS**  trans61.6146.5143.5-72.6175-13.400120.9
151S27.4Very low31Very low112 Ų112127.8 Ų127.878%0.78377%0.771SS**  cis-163.2174.7-6.1520000113
152A26.6Very low31Very low94 Ų94128.2 Ų128.278%0.77776%0.762SS**  trans8991.7155.100000122.5
153N26.7Very low30.7Very low156 Ų156125 Ų12583%0.83476%0.758SS**  101.9150.7119.5-148.717.2000122
154S31.4Very low30.5Very low91 Ų91127.8 Ų127.864%0.63676%0.763SS**  trans73.387.5162-59.20000121.4
155Q32.1Very low30.8Very low159 Ų159127 Ų12774%0.74375%0.752SS**  31.2136.8119.5-73.6-68.2-2200120.3A157Q155-A157 VanDerWaalsContact OE1-N 3.17Å
156P38.3Very low30.8Very low131 Ų131128 Ų12885%0.85175%0.747SS**  -133.4160.481.339.4-30.5000115.8
157A28.8Very low30.8Very low86 Ų86124.2 Ų124.271%0.71172%0.723SS**  trans-107.7153.4-176.500000113.7Q155Q155-A157 VanDerWaalsContact OE1-N 3.17Å
158S25.8Very low30.9Very low128 Ų128120.9 Ų120.990%0.89570%0.698SS**  trans-142.9129.5152.3-168.80000108.5
159Y28.5Very low31.1Very low212 Ų212119.2 Ų119.283%0.83168%0.68SS**  trans-109.4162-170.3-179.9-101.5000111.8Q161Y159-Q161 WeakPolarHBondContact CE1-O 3.39Å
160N26.7Very low30.3Very low114 Ų114125 Ų12561%0.6169%0.689SS**  trans-131.3134.5-170.1-169.2-101.9000112
161Q26.2Very low30.3Very low148 Ų148119.3 Ų119.369%0.69268%0.68SS**  trans67.4172.7160.3-94.7-175110.400116.7Y159Y159-Q161 WeakPolarHBondContact CE1-O 3.39Å
162S29.6Very low30.4Very low84 Ų84121.5 Ų121.559%0.58768%0.678SS**  cis-159.5175.78.3-1350000114.7
163S26.7Very low30.6Very low98 Ų98125 Ų12569%0.68568%0.678SS**  trans78163.3153.77.70000121.5
164Y27.2Very low30.9Very low219 Ų219126.5 Ų126.586%0.85968%0.68SS**  cis-145.8165.97.1-138.4-82000113.8
165S33.5Very low31.4Very low81 Ų81128.1 Ų128.157%0.56669%0.689SS**  trans-67168.6-168.7-62.50000121.6
166Q28.2Very low31.1Very low157 Ų157123.8 Ų123.873%0.73469%0.687SS**  cis-161.9-77.2-15.3-99.9168.87.100117.5
167P50.6Low30.7Very low39 Ų39127.5 Ų127.525%0.25369%0.685SS.*  trans-135.2-141.1-147.539.8-15.2000114.3Q28 N29 Y30Q28-P167 HydrophobicContact CB-CG 3.79Å; Q28-P167 HydrophobicContact CG-CG 3.32Å; N29-P167 CarbonylContact C-O 3.57Å; Y30-P167 VanDerWaalsContact CD2-C 3.48Å; Y30-P167 PolarHBondContact N-O 3.25Å
168T33.3Very low30.7Very low45 Ų45131.8 Ų131.828%0.27669%0.691SS.*  cis-169.6162.22.4-120.70000111.1Q28 N29 Y30Q28-T168 HydrophobicContact CB-CG2 3.97Å; Q28-T168 PolarHBondContact OE1-OG1 3.43Å; N29-T168 CarbonylContact C-O 3.48Å; N29-T168 WeakPolarHBondContact CA-O 3.35Å; Y30-T168 VanDerWaalsContact CB-O 3.28Å; Y30-T168 WeakPolarHBondContact CB-O 3.28Å; Y30-T168 PolarHBondContact N-O 2.82Å
169S32.4Very low30.8Very low55 Ų55129 Ų12939%0.38568%0.682SS.*  trans61.7139.5162164.20000119.1
170Y26Very low30.9Very low232 Ų232128.6 Ų128.691%0.9169%0.688SS**  cis-162.2-177.4-11.7-106.9-60.1000105.5
171G30.3Very low30.9Very low64 Ų64131.6 Ų131.666%0.6670%0.698SS**  cis171.8167.8-4.800000111.8
172Q30.1Very low30.9Very low159 Ų159130.9 Ų130.974%0.74370%0.704SS**  trans60.5106.4163.6-74.1-72.491.700124.4
173Q29.9Very low30.9Very low168 Ų168129.5 Ų129.579%0.78570%0.703SS**  65.2154.9128.3-67.2-173.741.500125.8
174Q33.2Very low30.9Very low186 Ų186135.6 Ų135.687%0.86971%0.713SS**  trans-84176.2178.8-74.1-174.8-7.400112.7
175P41.8Very low30.9Very low126 Ų126131.6 Ų131.682%0.81871%0.706SS**  cis-133.3-166.11943.6-24.2000114.5
176G26.8Very low30.8Very low68 Ų68134 Ų13470%0.70171%0.708SS**  cis155.2-161.6-8.900000113.5
177Y28.4Very low31Very low209 Ų209132.8 Ų132.882%0.8270%0.703SS**  trans75.5139.5173.9-96.4-117.4000121
178Q28.9Very low30Very low176 Ų176139.5 Ų139.582%0.82273%0.731SS**  trans20151.6149.4-58176.1-300122.1
179G29.3Very low29.9Very low70 Ų70140.8 Ų140.872%0.72275%0.753SS**  cis164.5-159.9300000113.2
180Q29.8Very low29.7Very low203 Ų203148.8 Ų148.895%0.94978%0.776SS**  trans87.4170.6172-53.8-160.419.500120.6
181Q26.9Very low30Very low176 Ų176145.4 Ų145.482%0.82277%0.769SS**  trans-140.9175.8-166.2-64.8-176.2-13.900112.1
182T26.9Very low30.1Very low133 Ų133150.6 Ų150.682%0.81678%0.776SS**  trans87138.1165.6-37.20000115
183G28Very low30.2Very low55 Ų55152.2 Ų152.257%0.56778%0.784SS**  cis173.5-176.9-6.300000112.9
184Y27.3Very low30.5Very low226 Ų226150.5 Ų150.589%0.88679%0.785SS**  trans69.3159.9178.8-54.8-81000117.2
185N27.9Very low30.6Very low136 Ų136147.2 Ų147.273%0.72778%0.779SS**  cis-166.4176.6-39.1-165.77.4000109.4
186Q31.5Very low30.7Very low130 Ų130147.5 Ų147.561%0.60778%0.781SS**  trans82.698.8161.7-72.4-75.586.300121.5
187Q31.2Very low31.3Very low132 Ų132153.2 Ų153.262%0.61779%0.79SS**  58.5127.6121.1-77.6-171.624.400124.6
188Q30.2Very low31.5Very low181 Ų181152.1 Ų152.185%0.84679%0.792SS**  trans66.7150.7147.7-57.5-179.172.700117.3
189G30.2Very low31.8Very low72 Ų72152.5 Ų152.574%0.74279%0.794SS**  cis-167.3170.1-4.500000110.9
190Y30.2Very low31.9Very low222 Ų222153.4 Ų153.487%0.87179%0.794SS**  trans-87.1130.2-173.4-83.6-96.5000114.9
191Q31.7Very low32.2Very low161 Ų161149.5 Ų149.575%0.75279%0.787SS**  trans-170.2110.5133.8-75.3-38.7-50.800106.9
192Q33Very low33.2Very low173 Ų173147.4 Ų147.481%0.80879%0.788SS**  57.6108.373.2-152-178.2129.100115
193Q31.5Very low33.5Very low194 Ų194145.6 Ų145.691%0.90779%0.787SS**  trans-142.1173.4168.5-73.9-165.9-300111.1
194T34.8Very low33.7Very low132 Ų132153.8 Ų153.881%0.8180%0.802SS**  trans-104.7154.1-149.550.50000116.9
195P36.9Very low34.5Very low116 Ų116148.2 Ų148.275%0.75379%0.793SS**PPolyproline II helixtrans-80.1158158.735.1-33.9000112.7
196P42.3Very low35.3Very low132 Ų132147.6 Ų147.686%0.85780%0.797SS**PPolyproline II helixtrans-88.7169.5-173.135.4-37.1000115.8
197Q39.9Very low35.4Very low189 Ų189150.7 Ų150.788%0.88381%0.811SS**PPolyproline II helixtrans-97154.5179.3-67.9-175.2-11.200114.6
198Q33.6Very low35.5Very low185 Ų185148.3 Ų148.386%0.86482%0.823SS**  trans-166.5154.2145.8-99.9176.511.200108
199Q33.8Very low35.6Very low185 Ų185145.1 Ų145.186%0.86483%0.827SS**  cis-157.6157.4-43.7-148.1171.912.900106.9
200A31.4Very low35.4Very low88 Ų88145.4 Ų145.473%0.72783%0.83SS**  trans-134.7151.4-17300000113.7
201P37.8Very low35.5Very low122 Ų122139.7 Ų139.779%0.79282%0.823SS**  trans-76.7162.8-178.531.5-35.7000114.1
202P46.8Very low35.3Very low132 Ų132143.2 Ų143.286%0.85783%0.831SS**  trans-89.5168.5-162.235.8-38000115.9
203A33.7Very low35.2Very low95 Ų95139 Ų13979%0.78583%0.833SS**  trans-114163.8178.100000113
204Y31.3Very low35.3Very low227 Ų227137.6 Ų137.689%0.8983%0.827SS**  trans-106.4161.1175.3-91-96.8000112
205P45.6Very low35.8Very low108 Ų108137.1 Ų137.170%0.70183%0.826SS**  trans-91.9162.2-161.936.2-36.5000115.4
206P45Very low35.4Very low124 Ų124135.3 Ų135.381%0.80582%0.821SS**  trans-88.7159.817636.7-35.6000113.4
207Q32.8Very low34.9Very low194 Ų194133.3 Ų133.391%0.90782%0.815SS**  trans-145.7151.9167.1-72.3-160.74.100113.3
208G33.1Very low34.4Very low83 Ų83131 Ų13186%0.85681%0.809SS**  trans83110.6140.600000117.9
209A31.4Very low34.2Very low114 Ų114129.8 Ų129.894%0.94280%0.803SS**  trans-94.3150.6164.900000111.5
210G27.3Very low33.9Very low77 Ų77130.2 Ų130.279%0.79480%0.798SS**  trans-151.1137.717000000109.6
211S32.2Very low33.8Very low103 Ų103131.7 Ų131.772%0.7279%0.794SS**  trans-145.6109.8-161.8160.30000112.9
212Y28.1Very low33.5Very low235 Ų235132.4 Ų132.492%0.92279%0.787SS**  trans-149.9136170.9-54.5-77.8000112
213G30.8Very low32.7Very low83 Ų83134.4 Ų134.486%0.85679%0.785SS**  trans100.5105.5153.800000119.5
214Q33Very low32.6Very low166 Ų166133.7 Ų133.778%0.77679%0.787SS**  trans-139.8145.8156.9-102.3-85.3-12.600105.9
215P44.1Very low32.6Very low122 Ų122126.2 Ų126.279%0.79278%0.778SS**  -151.9137.285.237.1-17000118.3
216A28.6Very low32.6Very low78 Ų78127.3 Ų127.365%0.64579%0.786SS**  42.2117.3126.100000123.8
217A31.8Very low32.6Very low90 Ų90127.4 Ų127.474%0.74479%0.786SS**  67.3117.7119.200000124.1
218N29.9Very low32.6Very low140 Ų140123.6 Ų123.675%0.74978%0.781SS**  -169.7127.2129.4-95.9-37.1000107.8
219Q30.4Very low32.5Very low159 Ų159130 Ų13074%0.74378%0.781SS**  89.7133.568.3-84.1-157.880.400115.7
220Y27.8Very low32.5Very low194 Ų194131.3 Ų131.376%0.76177%0.772SS**  trans84.1116.8162.3-95.4-106.8000123.4
221N29.5Very low32.6Very low120 Ų120135.5 Ų135.564%0.64277%0.771SS**  trans64123.1133.7-89.32.7000125.8
222Q29.8Very low32.4Very low136 Ų136135.3 Ų135.364%0.63677%0.77SS**  73.2126.3124.4-60.5-81.823.700122.1
223Q31.6Very low32.5Very low174 Ų174127.5 Ų127.581%0.81376%0.761SS**  trans64.6126.2139.6-64.5163.938.800120.4
224G30.8Very low33.6Very low81 Ų81129.1 Ų129.184%0.83576%0.756SS**  trans155.4118.8165.400000113
225G32.3Very low33.2Very low69 Ų69131.8 Ų131.871%0.71176%0.76SS**PPolyproline II helixtrans-94.815616900000111.6
226P45.1Very low32.6Very low131 Ų131132 Ų13285%0.85176%0.755SS**PPolyproline II helixtrans-75.3135.5-177.630.2-34.4000112.3
227P43.5Very low32.6Very low126 Ų126134 Ų13482%0.81876%0.755SS**PPolyproline II helixtrans-82.8153.9173.833.8-34.4000112.2
228S34.7Very low32.4Very low115 Ų115139.8 Ų139.880%0.80476%0.759SS**PPolyproline II helixtrans-97.4149.3164.5-1780000109.9
229Y29.7Very low32.5Very low218 Ų218142.5 Ų142.586%0.85576%0.759SS**  trans-141.4150.9169.4-137.6-92.2000111.3
230N32.7Very low32.6Very low141 Ų141141.8 Ų141.875%0.75476%0.756SS**  trans-143.5127.9-164.2177.95000111.2
231Q27.8Very low32.7Very low165 Ų165139.2 Ų139.277%0.77176%0.755SS**  trans-167.4151.3166.8-82.2-142.377.600108.5
232S29.4Very low32.9Very low98 Ų98136.8 Ų136.869%0.68576%0.758SS**  cis-167.2161.7-16.847.40000108.9
233G30.3Very low33.1Very low71 Ų71140.2 Ų140.273%0.73277%0.774SS**  trans-83-157.6178.600000114.4
234P52.6Low33.1Very low117 Ų117135.7 Ų135.776%0.7678%0.775SS**  cis-138.3179.1843.5-27.1000116.1
235Y26.3Very low33.2Very low222 Ų222136.1 Ų136.187%0.87178%0.779SS**  -172.7152.6124.5-119.3-91.7000115.4
236N31.1Very low33.3Very low128 Ų128136.3 Ų136.368%0.68478%0.781SS**  trans-58.6169176.9-91.8-53.6000116.9
237N27.1Very low32.7Very low118 Ų118136.7 Ų136.763%0.63179%0.786SS**  cis-174.6153.2-12.3-165.9-75.7000109.2
238Y29.1Very low32.1Very low212 Ų212134 Ų13483%0.83178%0.782SS**  trans-167.8151.8135.7-115.9-79000112.8
239R30.5Very low31.8Very low197 Ų197139.8 Ų139.874%0.74379%0.788SS**  trans-48.9168.9-173.1-58.3179172.5176.4-3.8117.2
240Q32.4Very low32.5Very low145 Ų145135.4 Ų135.468%0.67879%0.786SS**  cis-159.5147.528.6-163.5154.3-1100116.4
241D30.6Very low32.4Very low140 Ų140131.9 Ų131.975%0.74978%0.783SS**  trans17.5140.9156.8-40.8-25.5000122
242G33.8Very low32.5Very low69 Ų69130.3 Ų130.371%0.71179%0.79SS**  cis167.1164-5.100000114.7
243Q34.7Very low32.6Very low207 Ų207134.2 Ų134.297%0.96780%0.798SS**  trans71.1136.7175.1-50-178.318.100118.5
244G30.8Very low33.3Very low80 Ų80136.8 Ų136.883%0.82580%0.802SS**  cis170.7134.8-14.100000116.2
245G32.5Very low32.5Very low89 Ų89133.9 Ų133.992%0.91879%0.792SS**  trans80.3152.6164.400000118.5
246G35.8Very low32.6Very low73 Ų73135.1 Ų135.175%0.75380%0.796SS**  cis159.9121.1-13.400000115.2
247S32.5Very low32.7Very low139 Ų139139.8 Ų139.897%0.97281%0.805SS**  trans63.7161.5174.6-62.40000117.3
248G29.5Very low33.6Very low71 Ų71140 Ų14073%0.73281%0.813SS**  cis-176.4158.7-5.100000112.8
249Y29.3Very low33.5Very low236 Ų236133.6 Ų133.693%0.92581%0.812SS**  trans-76.7177.5-179.2-79.9-90.8000113.8
250P44.8Very low33.5Very low126 Ų126128.2 Ų128.282%0.81882%0.818SS**  cis-131.9-168.86.337.7-16.8000115.6
251G30.4Very low33.5Very low67 Ų67125.4 Ų125.469%0.69183%0.828SS**  trans-135.6-172.3172.200000113.3
252S29.6Very low33.7Very low131 Ų131122.5 Ų122.592%0.91683%0.83SS**  trans-152.9143.5176.8-71.50000114.2
253E30.4Very low33.7Very low180 Ų180126.3 Ų126.384%0.84183%0.834SS**  trans-82.2-177.6164.5-106.2-170.799.800111.5
254P46.5Very low33.8Very low126 Ų126120.9 Ų120.982%0.81882%0.819SS**  cis-134.5-17218.640.4-20.2000114.9
255G34.7Very low34Very low55 Ų55129.5 Ų129.557%0.56783%0.827SS**  cis153.5-178.3-10.700000113.8
256R29.4Very low34Very low248 Ų248128.6 Ų128.694%0.93682%0.818SS**  trans84.4119172.2-57.2-168.9-176.2-86.9-0.4121.1
257Y31.8Very low34.6Very low227 Ų227131.7 Ų131.789%0.8983%0.825SS**  trans-72.1-178.6156.2-85.2-99.1000111.9
258P46.1Very low34.7Very low122 Ų122128.9 Ų128.979%0.79282%0.817SS**  cis-142.6160.814.240.8-21.4000119.9
259G28.2Very low35.2Very low78 Ų78136.9 Ų136.980%0.80483%0.825SS**  95.4150.4116.600000121.4
260G30.4Very low35.8Very low84 Ų84134 Ų13487%0.86683%0.826SS**  trans121.8124.2145.400000118.7
261G30.6Very low35.3Very low86 Ų86130.3 Ų130.389%0.88781%0.811SS**  trans74.897.414100000119.2
262G36.5Very low35.6Very low78 Ų78137 Ų13780%0.80482%0.821SS**  trans-113.4112.1156.300000110.1
263D33.8Very low35.9Very low150 Ų150139.6 Ų139.680%0.80282%0.819SS**  trans-154.1125172.8-133.2-36.9000114.5
264S36.4Very low36.4Very low93 Ų93142.5 Ų142.565%0.6582%0.823SS**  trans33107.8145.9-54.60000121.2
265R35.3Very low35.8Very low261 Ų261140 Ų14099%0.98582%0.82SS**  trans-178.1148130.3-99.4154.8-140.2-156.24.8115.3
266G31.3Very low36.1Very low70 Ų70141.2 Ų141.272%0.72283%0.832SS**  trans-162.3-175.1155.100000107.6
267P49.4Very low36.8Very low138 Ų138138.4 Ų138.490%0.89683%0.832SS**  cis-117.3169.1-9.440.1-28.3000112.7
268G35.1Very low37.3Very low79 Ų79136.6 Ų136.681%0.81483%0.834SS**  trans-124.6129.4170.300000111.9
269R39Very low37.4Very low239 Ų239140.3 Ų140.390%0.90284%0.84SS**  trans-98.8144.3160.1-83.7-178.4165.5-162.2-3108
270D41.2Very low37.9Very low175 Ų175148.3 Ų148.394%0.93685%0.846SS**  trans167.9157.8142.2-81.5-22.6000107.6
271G35.5Very low38.2Very low50 Ų50147.5 Ų147.552%0.51584%0.838SS.*  cis167.371.1-4.700000112.5
272F36.3Very low38.6Very low206 Ų206154.6 Ų154.690%0.90484%0.838SS**  trans66.7173.6179.5-45.1-79.7000112.4
273E35.9Very low38.7Very low186 Ų186154.1 Ų154.187%0.86983%0.833SS**  cis-158.2179.819.8-156.4164.8-151.600110.6
274R40.4Very low39.1Very low242 Ų242155.2 Ų155.291%0.91384%0.836SS**  trans71.5125-174.6-162.9-172.9-56.5-157.12.3113.7
275G35.3Very low39.4Very low74 Ų74154.2 Ų154.276%0.76384%0.84SS**  cis112.8122.412.400000110.2
276G39.6Very low39.6Very low80 Ų80153.3 Ų153.383%0.82584%0.837SS**  cis-156.7-158.14.600000113.3
277M44.9Very low40.1Very low188 Ų188153.4 Ų153.493%0.92684%0.838SS**  trans-85.1152.6-163.2-52166.2-173.300114.9
278M42.9Very low39.8Very low189 Ų189155.8 Ų155.893%0.93184%0.839SS**  -166.3128.8121.944.6179.2158.200113.2
279H47.7Very low40Very low201 Ų201155.7 Ų155.793%0.93184%0.838SS**  trans-92.7125.7168-76.1-85.3000110.8
280R39.3Very low39.9Very low245 Ų245149.4 Ų149.493%0.92584%0.837SS**  trans-152.2131.1156-164.2-177.1-65.5-163.81.5108.2
281G35.9Very low39.8Very low68 Ų68144.6 Ų144.670%0.70183%0.828SS**  cis130.749.11.500000113.3
282R39.5Very low40.4Very low234 Ų234149.4 Ų149.488%0.88384%0.843SS**  trans-166137.9160.7-112.8174.6-172.4-157.2-0.3110.3
283G37.9Very low40.6Very low68 Ų68151.7 Ų151.770%0.70185%0.845SS**  trans-92.5153.6156.300000109.5
284M42.8Very low40.7Very low174 Ų174146.7 Ų146.786%0.85784%0.843SS**  trans-150.3125.2164.6-140.475.7-174.800108
285G41.6Very low40.8Very low72 Ų72138.7 Ų138.774%0.74284%0.836SS**  trans-88.4140.5178.800000112.4
286R41.2Very low40.9Very low242 Ų242145.2 Ų145.291%0.91384%0.844SS**  trans-159.9138.9152.7-95.6156.5-146-116.64.7105.8
287G40Very low41.2Very low72 Ų72146.7 Ų146.774%0.74284%0.842SS**  cis96.150.210.600000112
288M43.5Very low41.3Very low188 Ų188147.3 Ų147.393%0.92684%0.839SS**  trans-147134.4163.9-89.9-63-179.100108.1
289G40.6Very low41.5Very low77 Ų77144 Ų14479%0.79483%0.832SS**  trans-149126.8167.600000108.5
290A36.8Very low40.9Very low107 Ų107138.2 Ų138.288%0.88483%0.826SS**  trans-176.4158.9172.700000109.3
291G37.3Very low40.8Very low73 Ų73130 Ų13075%0.75382%0.818SS**  trans107.280.1149.100000117.2
292D49.3Very low41.7Very low152 Ų152132.8 Ų132.881%0.81382%0.824SS**  trans-58.6137.9154.8-45.3-109.2000111.2
293R40.3Very low41.8Very low254 Ų254131.1 Ų131.196%0.95883%0.828SS**  trans170.7143.1144.6-94.4151-164-167.15112.3
294G38Very low42.1Very low80 Ų80131.8 Ų131.883%0.82584%0.835SS**  trans83.4108.5169.100000113.8
295G41.5Very low41.9Very low75 Ų75125.9 Ų125.977%0.77382%0.819SS**  cis90.265.74.200000112.9
296F38.3Very low42.2Very low211 Ų211130.5 Ų130.593%0.92583%0.827SS**  trans-130.5113.4167.8-130.6-93.1000109
297S44.9Very low42.1Very low111 Ų111125.8 Ų125.878%0.77682%0.815SS**  trans-117119.8-172.3-55.20000110.8
298K47.8Very low42.7Very low201 Ų201132 Ų13287%0.87482%0.816SS**  trans-166.5156.8162-109.4163.7-176.2-179.70109.6
299P47.1Very low42.7Very low120 Ų120132.1 Ų132.178%0.77982%0.815SS**  -136.4163.9-10438.5-21.6000115.6
300G34.7Very low42.8Very low78 Ų78137.1 Ų137.180%0.80482%0.82SS**  trans83.1132.615900000115.8
301G37.8Very low43Very low74 Ų74135.5 Ų135.576%0.76381%0.813SS**  trans-86-155.5161.100000111.4
302P55.5Low43.3Very low126 Ų126140 Ų14082%0.81881%0.807SS**  cis-135.6133.611.337.5-19000116.5
303M41.8Very low43.5Very low198 Ų198138.4 Ų138.498%0.97581%0.805SS**  trans-152.9148.9141.4-71-158.7-179.100106.1
304G43.8Very low43.9Very low82 Ų82132.8 Ų132.885%0.84579%0.79SS**  cis124.490.411.700000108.5
305G38.3Very low44.4Very low50 Ų50134.6 Ų134.652%0.51578%0.777SS.*  trans15068.8-175.600000116.2E307G305-E307 PolarHBondContact O-N 3.14Å
306D46.9Very low44.7Very low169 Ų169136.4 Ų136.490%0.90477%0.765SS**  trans48.134.8134.1-49.2-66.2000121.6R308D306-R308 PolarHBondContact O-N 3.22Å
307E40.8Very low45.4Very low144 Ų144130.5 Ų130.567%0.67374%0.744SS**  trans-99.380.1176.1-70.8-138.8104.500115.7G305G305-E307 PolarHBondContact O-N 3.14Å
308R52.6Low45.9Very low201 Ų201127 Ų12776%0.75872%0.716SS**  trans63.156.5144.7-48-174.3-164.287.120.8118.2D306D306-R308 PolarHBondContact O-N 3.22Å
309E43.1Very low46.3Very low192 Ų192120.1 Ų120.190%0.89769%0.693SS**  trans-60.9144.3149.2-171164.1-171.400109.7G311E309-G311 PolarHBondContact O-N 2.85Å; E309-G311 VanDerWaalsContact O-N 3.15Å
310M42.9Very low47Very low182 Ų182120.9 Ų120.990%0.89769%0.686SS**  trans-67.8117.7-171.4-77.1-157.3-59.800111.7R312M310-R312 PolarHBondContact O-N 3.26Å
311G40.6Very low48.8Very low73 Ų73117.7 Ų117.775%0.75365%0.651SS**  trans-54.6101.617100000111.9E309E309-G311 PolarHBondContact O-N 2.85Å; E309-G311 VanDerWaalsContact O-N 3.15Å
312R43.6Very low51Low166 Ų166115.6 Ų115.663%0.62663%0.625SS**  trans-38.9130.9155.3172.4171.6168.1-103.9-4.6108M310 E314 E315M310-R312 PolarHBondContact O-N 3.26Å; R312-E314 PolarHBondContact O-N 2.81Å; R312-E315 IonicContact CZ-OE1 2.83Å; R312-E315 IonicContact CZ-OE2 2.88Å; R312-E315 IonicContact NH1-OE1 3.46Å; R312-E315 PolarHBondContact NH1-OE1 3.32Å; R312-E315 IonicContact NH1-OE2 3.5Å; R312-E315 PolarHBondContact NH1-OE2 2.83Å; R312-E315 IonicContact NH2-OE1 2.62Å; R312-E315 PolarHBondContact NH2-OE1 2.97Å; R312-E315 IonicContact NH2-OE2 2.72Å
313P52.4Low52.5Low119 Ų119111.6 Ų111.677%0.77360%0.598SS**SBendtrans-52121.2-170.921-33.7000109.3E315P313-E315 PolarHBondContact O-N 3.03Å
314E48.5Very low54.8Low136 Ų136102.1 Ų102.164%0.63655%0.551SS**  trans-48.4127.8-159.7-67.2159.5125.500110.9R312 Q316R312-E314 PolarHBondContact O-N 2.81Å; E314-Q316 PolarHBondContact O-N 2.9Å
315E48.8Very low57Low119 Ų119102.1 Ų102.156%0.55653%0.526SS*.  trans-66.283.3160.6-77.8170.914400106.1R312 P313 D317R312-E315 IonicContact CZ-OE1 2.83Å; R312-E315 IonicContact CZ-OE2 2.88Å; R312-E315 IonicContact NH1-OE1 3.46Å; R312-E315 PolarHBondContact NH1-OE1 3.32Å; R312-E315 IonicContact NH1-OE2 3.5Å; R312-E315 PolarHBondContact NH1-OE2 2.83Å; R312-E315 IonicContact NH2-OE1 2.62Å; R312-E315 PolarHBondContact NH2-OE1 2.97Å; R312-E315 IonicContact NH2-OE2 2.72Å; P313-E315 PolarHBondContact O-N 3.03Å; E315-D317 PolarHBondContact O-N 2.9Å
316Q48.1Very low59.4Low112 Ų11299.7 Ų99.752%0.52350%0.502SS..  trans-72.781.1-163.1180162.3102.600109.9E314 D318E314-Q316 PolarHBondContact O-N 2.9Å; Q316-D318 PolarHBondContact O-N 3.46Å
317D53.1Low61.4Low88 Ų8893 Ų9347%0.47147%0.467SS..  trans5.183.2-161.4-155-19.2000114.1E315 S319 E320E315-D317 PolarHBondContact O-N 2.9Å; D317-S319 PolarHBondContact O-N 2.87Å; D317-S319 WeakPolarHBondContact OD1-CA 3.41Å; D317-S319 WeakPolarHBondContact OD1-CB 3.23Å; D317-S319 PolarHBondContact OD1-N 2.74Å; D317-S319 PolarHBondContact OD1-OG 2.99Å; D317-E320 HydrophobicContact CB-CG 4.33Å; D317-E320 PolarHBondContact O-N 2.8Å
318D56.3Low63.4Low36 Ų3687.6 Ų87.619%0.19345%0.449CS..G310 helixtrans-58.8-11.1177.2-83.3-54.5000111.7Q316 N321 M405 R407Q316-D318 PolarHBondContact O-N 3.46Å; D318-N321 PolarHBondContact OD1-ND2 3.05Å; D318-M405 HydrophobicContact CB-CB 4.47Å; D318-M405 WeakPolarHBondContact O-CE 3.18Å; D318-R407 IonicContact OD1-NH1 3.42Å; D318-R407 IonicContact OD2-CZ 2.69Å; D318-R407 IonicContact OD2-NH1 2.68Å; D318-R407 PolarHBondContact OD2-NH1 2.99Å; D318-R407 IonicContact OD2-NH2 3.52Å; D318-R407 PolarHBondContact OD2-NH2 2.82Å; D318-R407 VanDerWaalsContact OD2-NH2 3.14Å
319S55.3Low64.8Low57 Ų5778.1 Ų78.140%0.39941%0.414SS..G310 helixtrans-75.7-24.5173.5-30.70000114.4D317 N321D317-S319 PolarHBondContact O-N 2.87Å; D317-S319 WeakPolarHBondContact OD1-CA 3.41Å; D317-S319 WeakPolarHBondContact OD1-CB 3.23Å; D317-S319 PolarHBondContact OD1-N 2.74Å; D317-S319 PolarHBondContact OD1-OG 2.99Å; S319-N321 PolarHBondContact O-N 3.11Å
320E63.2Low66.3Low136 Ų13669.6 Ų69.664%0.63638%0.375SS*.G310 helixtrans-72.8-14.1174.9-72.6-160.7144.400112.6D317 S322D317-E320 HydrophobicContact CB-CG 4.33Å; D317-E320 PolarHBondContact O-N 2.8Å; E320-S322 PolarHBondContact O-N 3.45Å; E320-S322 VanDerWaalsContact O-N 3.09Å
321N71.8Confident67.7Low11 Ų1165.7 Ų65.76%0.05936%0.355CS..  trans-80.192.4-172.9-67.9-40000111.7D318 S319 T323 M405 R408D318-N321 PolarHBondContact OD1-ND2 3.05Å; S319-N321 PolarHBondContact O-N 3.11Å; N321-T323 PolarHBondContact O-N 3.41Å; N321-M405 HydrophobicContact CB-CE 4.33Å; N321-M405 WeakPolarHBondContact O-CE 3.13Å; N321-R408 WeakPolarHBondContact OD1-CD 3.28Å; N321-R408 WeakPolarHBondContact OD1-CG 3.28Å
322S84Confident69Low31 Ų3169.8 Ų69.822%0.21735%0.352CS..  trans-63.516.8171.2-34.20000115.1E320 S377 Y378 P381E320-S322 PolarHBondContact O-N 3.45Å; E320-S322 VanDerWaalsContact O-N 3.09Å; S322-S377 CarbonylContact O-C 3.51Å; S322-Y378 PolarHBondContact O-N 3.5Å; S322-P381 WeakPolarHBondContact OG-CB 3.15Å; S322-P381 WeakPolarHBondContact OG-CD 3.44Å
323T87.5Confident70.4Confident41 Ų4162.6 Ų62.625%0.25233%0.328SS..EExtended strand (participates in β ladder)trans-121129.3179-52.10000109.1N321 T375 L376 A406N321-T323 PolarHBondContact O-N 3.41Å; T323-T375 HydrophobicContact CG2-CG2 4.36Å; T323-L376 CarbonylContact C-O 3.56Å; T323-L376 VanDerWaalsContact CA-O 3.3Å; T323-L376 WeakPolarHBondContact CA-O 3.4Å; T323-L376 WeakPolarHBondContact CG2-O 3.4Å; T323-A406 HydrophobicContact CG2-CB 3.71Å; T323-A406 WeakPolarHBondContact O-CB 3.31Å; T323-A406 PolarHBondContact O-N 2.96Å
324I89.7Confident71.8Confident0 Ų061.2 Ų61.20%031%0.314CS..EExtended strand (participates in β ladder)trans-103.6150.3171.259.7168000110.5I326 F342 T375 L376 Y378 A384 A387 V388 V403 S404 M405I324-I326 HydrophobicContact CD1-CD1 3.88Å; I324-I326 HydrophobicContact CD1-CG1 3.88Å; I324-I326 HydrophobicContact CG1-CD1 4.22Å; I324-I326 HydrophobicContact CG1-CG1 4.19Å; I324-F342 HydrophobicContact CD1-CD1 3.84Å; I324-F342 HydrophobicContact CD1-CE1 3.66Å; I324-F342 HydrophobicContact CD1-CZ 4.42Å; I324-T375 WeakPolarHBondContact O-CA 3.33Å; I324-L376 HydrophobicContact CD1-CB 4.39Å; I324-L376 HydrophobicContact CD1-CD2 4.18Å; I324-L376 HydrophobicContact CG1-CB 3.92Å; I324-L376 HydrophobicContact CG1-CD2 4.02Å; I324-L376 PolarHBondContact N-O 2.81Å; I324-L376 PolarHBondContact O-N 2.94Å; I324-Y378 HydrophobicContact CD1-CE2 3.87Å; I324-Y378 HydrophobicContact CG1-CE2 4.19Å; I324-A384 HydrophobicContact CG2-CB 4.06Å; I324-A384 VanDerWaalsContact CG2-O 3.31Å; I324-A384 WeakPolarHBondContact CG2-O 3.26Å; I324-A387 HydrophobicContact CD1-CB 4.22Å; I324-V388 HydrophobicContact CG2-CG2 3.86Å; I324-V403 HydrophobicContact CB-CG1 4.1Å; I324-V403 HydrophobicContact CD1-CG1 3.72Å; I324-V403 HydrophobicContact CG1-CG1 4.43Å; I324-S404 CarbonylContact C-O 3.44Å; I324-S404 WeakPolarHBondContact CA-O 3.48Å; I324-M405 HydrophobicContact CG2-SD 4.43Å
325Y89.8Confident73.3Confident81 Ų8157.5 Ų57.532%0.31830%0.298SS..EExtended strand (participates in β ladder)trans-107.3125.6170.2-176.7-126.5000108.2T327 Y362 D373 A374 T375 V403 S404Y325-T327 HydrophobicContact CD1-CG2 3.75Å; Y325-T327 HydrophobicContact CE1-CG2 3.26Å; Y325-T327 HydrophobicContact CE2-CG2 4.31Å; Y325-T327 HydrophobicContact CG-CG2 4.47Å; Y325-Y362 HydrophobicContact CE2-CD2 4.39Å; Y325-Y362 HydrophobicContact CE2-CE2 4.18Å; Y325-D373 HydrophobicContact CE2-CB 4.07Å; Y325-D373 VanDerWaalsContact OH-CG 3.22Å; Y325-D373 PolarHBondContact OH-OD2 2.86Å; Y325-A374 WeakPolarHBondContact CD2-O 3.45Å; Y325-T375 HydrophobicContact CD2-CG2 3.85Å; Y325-V403 WeakPolarHBondContact O-CA 3.21Å; Y325-S404 PolarHBondContact N-O 3.35Å; Y325-S404 PolarHBondContact O-N 2.96Å
326I88.7Confident75Confident0 Ų059.1 Ų59.10%031%0.305CS..EExtended strand (participates in β ladder)trans-115.3131.2-175-57.3153.6000106.6I324 L329 M338 F342 D373 A374 L376 L401 V403I324-I326 HydrophobicContact CD1-CD1 3.88Å; I324-I326 HydrophobicContact CD1-CG1 3.88Å; I324-I326 HydrophobicContact CG1-CD1 4.22Å; I324-I326 HydrophobicContact CG1-CG1 4.19Å; I326-L329 HydrophobicContact CB-CD1 4.44Å; I326-L329 HydrophobicContact CG2-CD1 3.94Å; I326-L329 HydrophobicContact CG2-CD2 4.14Å; I326-L329 HydrophobicContact CG2-CG 3.96Å; I326-M338 HydrophobicContact CD1-CE 3.63Å; I326-F342 HydrophobicContact CD1-CD2 4.09Å; I326-F342 HydrophobicContact CD1-CE1 4.09Å; I326-F342 HydrophobicContact CD1-CE2 3.48Å; I326-F342 VanDerWaalsContact CD1-CE2 3.48Å; I326-F342 HydrophobicContact CD1-CZ 3.48Å; I326-F342 VanDerWaalsContact CD1-CZ 3.48Å; I326-F342 HydrophobicContact CG1-CE1 4.34Å; I326-F342 HydrophobicContact CG1-CE2 4.24Å; I326-F342 HydrophobicContact CG1-CZ 3.77Å; I326-F342 HydrophobicContact CG2-CE2 4.49Å; I326-F342 HydrophobicContact CG2-CZ 4.2Å; I326-D373 CarbonylContact O-C 3.55Å; I326-D373 WeakPolarHBondContact O-CA 3.35Å; I326-A374 PolarHBondContact N-O 2.87Å; I326-A374 PolarHBondContact O-N 2.75Å; I326-L376 HydrophobicContact CD1-CB 3.76Å; I326-L376 HydrophobicContact CD1-CD1 4.21Å; I326-L401 HydrophobicContact CG2-CD1 4.34Å; I326-L401 HydrophobicContact CG2-CD2 4.38Å; I326-V403 HydrophobicContact CG1-CG1 4.27Å; I326-V403 HydrophobicContact CG1-CG2 4.36Å; I326-V403 HydrophobicContact CG2-CG2 4.42Å
327T88.4Confident76.8Confident29 Ų2957.2 Ų57.218%0.17830%0.296CS..EExtended strand (participates in β ladder)trans-132.4158.9-178.457.30000109.7Y325 G372 D373 L401 K402Y325-T327 HydrophobicContact CD1-CG2 3.75Å; Y325-T327 HydrophobicContact CE1-CG2 3.26Å; Y325-T327 HydrophobicContact CE2-CG2 4.31Å; Y325-T327 HydrophobicContact CG-CG2 4.47Å; T327-G372 CarbonylContact C-O 3.58Å; T327-G372 WeakPolarHBondContact CA-O 3.35Å; T327-D373 WeakPolarHBondContact CG2-OD1 3.42Å; T327-L401 CarbonylContact O-C 3.53Å; T327-L401 WeakPolarHBondContact O-CA 3.41Å; T327-K402 PolarHBondContact N-O 3.35Å; T327-K402 PolarHBondContact O-N 2.88Å; T327-K402 WeakPolarHBondContact OG1-CB 3.26Å; T327-K402 PolarHBondContact OG1-O 2.76Å
328G82.7Confident78.2Confident29 Ų2953 Ų5330%0.29927%0.274SS..  trans83.78.8-178.200000115.2G372 R399G328-G372 PolarHBondContact N-O 3.37Å; G328-R399 WeakPolarHBondContact O-CB 3.47Å; G328-R399 WeakPolarHBondContact O-CD 3.35Å
329L81.6Confident79.5Confident2 Ų252.2 Ų52.21%0.0127%0.272CS..  trans-57.9155.8172.6-64.7154.8000111.2I326 A333 M338 G372 A374 F396 R399 L401I326-L329 HydrophobicContact CB-CD1 4.44Å; I326-L329 HydrophobicContact CG2-CD1 3.94Å; I326-L329 HydrophobicContact CG2-CD2 4.14Å; I326-L329 HydrophobicContact CG2-CG 3.96Å; L329-A333 HydrophobicContact CB-CB 3.96Å; L329-A333 HydrophobicContact CD2-CB 3.9Å; L329-A333 HydrophobicContact CG-CB 4.42Å; L329-M338 HydrophobicContact CD1-CE 3.78Å; L329-M338 HydrophobicContact CD1-SD 3.93Å; L329-M338 HydrophobicContact CD2-CE 4.06Å; L329-M338 HydrophobicContact CD2-CG 4.31Å; L329-M338 HydrophobicContact CD2-SD 3.97Å; L329-G372 WeakPolarHBondContact CB-O 3.45Å; L329-G372 PolarHBondContact N-O 3.07Å; L329-G372 VanDerWaalsContact O-CA 3.22Å; L329-G372 WeakPolarHBondContact O-CA 3.21Å; L329-A374 HydrophobicContact CD1-CB 3.59Å; L329-F396 HydrophobicContact CD2-CD1 4.33Å; L329-R399 PolarHBondContact O-NH1 2.79Å; L329-R399 VanDerWaalsContact O-NH1 3.07Å; L329-L401 HydrophobicContact CB-CD2 4.42Å; L329-L401 HydrophobicContact CD2-CD1 4.42Å; L329-L401 HydrophobicContact CD2-CD2 3.63Å; L329-L401 HydrophobicContact CG-CD2 3.86Å
330T76.3Confident80.9Confident14 Ų1455.5 Ų55.59%0.08628%0.281CS..  trans-86.5166.2178.542.40000112.4K332 A333 Q397 R399T330-K332 PolarHBondContact O-N 2.81Å; T330-A333 PolarHBondContact O-N 2.79Å; T330-Q397 HydrophobicContact CG2-CB 3.68Å; T330-Q397 PolarHBondContact OG1-OE1 2.91Å; T330-R399 HydrophobicContact CG2-CB 4.15Å; T330-R399 HydrophobicContact CG2-CG 3.9Å
331E70.8Confident81.9Confident99 Ų9951.7 Ų51.746%0.46326%0.263SS..THydrogen-bonded Turntrans-70.43.5177.7-58.3-173.5-170.100114.3K369 P370E331-K369 VanDerWaalsContact CD-NZ 3.26Å; E331-K369 IonicContact OE1-NZ 3.59Å; E331-K369 PolarHBondContact OE1-NZ 3.04Å; E331-K369 IonicContact OE2-NZ 2.86Å; E331-K369 PolarHBondContact OE2-NZ 2.98Å; E331-P370 VanDerWaalsContact CA-CG 3.47Å; E331-P370 HydrophobicContact CB-CG 3.8Å; E331-P370 HydrophobicContact CG-CG 4.1Å
332K69.6Low82.5Confident160 Ų16051.2 Ų51.270%0.69626%0.26SS*.THydrogen-bonded Turntrans-125.918.8177.2-52.6178.8-178.8-179.70113.1T330 N334 Q397T330-K332 PolarHBondContact O-N 2.81Å; K332-N334 PolarHBondContact O-N 2.81Å; K332-N334 PolarHBondContact O-ND2 3.35Å; K332-Q397 PolarHBondContact O-NE2 2.74Å
333A71.1Confident82.5Confident15 Ų1555.1 Ų55.112%0.12427%0.273CS..  trans-72.7108.1179.400000111L329 T330 I361 F396L329-A333 HydrophobicContact CB-CB 3.96Å; L329-A333 HydrophobicContact CD2-CB 3.9Å; L329-A333 HydrophobicContact CG-CB 4.42Å; T330-A333 PolarHBondContact O-N 2.79Å; A333-I361 VanDerWaalsContact O-CD1 3.29Å; A333-I361 WeakPolarHBondContact O-CD1 3.39Å; A333-F396 HydrophobicContact CB-CE1 3.85Å
334N82.6Confident82.2Confident90 Ų9060.9 Ų60.948%0.48130%0.297SS..  trans-86.9150.1178.9-62.7-69.9000112.1K332 E336 E337 M338K332-N334 PolarHBondContact O-N 2.81Å; K332-N334 PolarHBondContact O-ND2 3.35Å; N334-E336 PolarHBondContact O-N 2.81Å; N334-E337 HydrophobicContact CB-CB 4.39Å; N334-E337 HydrophobicContact CB-CG 4.11Å; N334-E337 WeakPolarHBondContact CB-OE2 3.31Å; N334-E337 PolarHBondContact N-OE2 3.36Å; N334-E337 PolarHBondContact ND2-OE2 2.05Å; N334-E337 PolarHBondContact O-N 2.81Å; N334-M338 WeakPolarHBondContact O-CB 3.42Å; N334-M338 WeakPolarHBondContact O-CG 3.46Å; N334-M338 PolarHBondContact O-N 2.91Å
335I81.3Confident81.9Confident58 Ų5862.2 Ų62.230%0.29731%0.305SS..Hα-helixtrans-57.2-36.2175.3-69.2168.6000111.1A339 P357 I359 I361I335-A339 WeakPolarHBondContact O-CB 3.48Å; I335-A339 PolarHBondContact O-N 3.37Å; I335-P357 HydrophobicContact CG2-CG 3.71Å; I335-I359 HydrophobicContact CG2-CB 4.35Å; I335-I359 WeakPolarHBondContact O-CD1 3.24Å; I335-I361 HydrophobicContact CG1-CD1 3.76Å; I335-I361 HydrophobicContact CG1-CG1 4.21Å
336E84.3Confident81.6Confident153 Ų15358.9 Ų58.972%0.71530%0.295SS*.Hα-helixtrans-71.9-48.6179.8-70.8157.4-161.800112.2N334 M338 A339 E340N334-E336 PolarHBondContact O-N 2.81Å; E336-M338 VanDerWaalsContact C-N 3.31Å; E336-M338 PolarHBondContact O-N 3.13Å; E336-A339 PolarHBondContact O-N 3.43Å; E336-A339 VanDerWaalsContact O-N 3.09Å; E336-E340 WeakPolarHBondContact O-CB 3.22Å; E336-E340 PolarHBondContact O-N 3.15Å
337E84.6Confident81.4Confident71 Ų7162.1 Ų62.133%0.33232%0.316SS..Hα-helixtrans-59.3-41.7174-67.1173.7115.900111.8N334 A339 E340 F341 F396 Q397N334-E337 HydrophobicContact CB-CB 4.39Å; N334-E337 HydrophobicContact CB-CG 4.11Å; N334-E337 WeakPolarHBondContact CB-OE2 3.31Å; N334-E337 PolarHBondContact N-OE2 3.36Å; N334-E337 PolarHBondContact ND2-OE2 2.05Å; N334-E337 PolarHBondContact O-N 2.81Å; E337-A339 VanDerWaalsContact C-N 3.32Å; E337-A339 PolarHBondContact O-N 2.96Å; E337-E340 WeakPolarHBondContact O-CB 2.97Å; E337-E340 PolarHBondContact O-N 3.03Å; E337-F341 WeakPolarHBondContact O-CB 3.2Å; E337-F341 PolarHBondContact O-N 3.39Å; E337-F396 HydrophobicContact CB-CE2 4.43Å; E337-F396 HydrophobicContact CB-CZ 4.06Å; E337-Q397 PolarHBondContact OE1-NE2 2.79Å; E337-Q397 PolarHBondContact OE2-NE2 2.91Å
338M82.2Confident81.3Confident1 Ų161.9 Ų61.91%0.00531%0.314CS..Hα-helixtrans-62.8-41.3174.9-71.7-175.868.200110.9I326 L329 N334 E336 F341 F342 I359 I361 A374I326-M338 HydrophobicContact CD1-CE 3.63Å; L329-M338 HydrophobicContact CD1-CE 3.78Å; L329-M338 HydrophobicContact CD1-SD 3.93Å; L329-M338 HydrophobicContact CD2-CE 4.06Å; L329-M338 HydrophobicContact CD2-CG 4.31Å; L329-M338 HydrophobicContact CD2-SD 3.97Å; N334-M338 WeakPolarHBondContact O-CB 3.42Å; N334-M338 WeakPolarHBondContact O-CG 3.46Å; N334-M338 PolarHBondContact O-N 2.91Å; E336-M338 VanDerWaalsContact C-N 3.31Å; E336-M338 PolarHBondContact O-N 3.13Å; M338-F341 PolarHBondContact O-N 2.96Å; M338-F342 HydrophobicContact CB-CD2 4.43Å; M338-F342 HydrophobicContact CE-CE2 4.26Å; M338-F342 WeakPolarHBondContact O-CB 3.35Å; M338-F342 VanDerWaalsContact O-CD2 3.25Å; M338-F342 WeakPolarHBondContact O-CD2 3.42Å; M338-F342 PolarHBondContact O-N 3.23Å; M338-I359 HydrophobicContact CB-CD1 3.84Å; M338-I359 HydrophobicContact CE-CG2 3.82Å; M338-I359 HydrophobicContact SD-CG2 3.99Å; M338-I361 HydrophobicContact SD-CD1 3.74Å; M338-I361 HydrophobicContact SD-CG1 3.99Å; M338-A374 HydrophobicContact CE-CB 3.77Å; M338-A374 HydrophobicContact SD-CB 4.44Å
339A84.6Confident81.4Confident18 Ų1867.8 Ų67.815%0.14933%0.327CS..Hα-helixtrans-67.6-39.7176.400000112.8I335 E336 E337 F341 K343 I348 P357 I359I335-A339 WeakPolarHBondContact O-CB 3.48Å; I335-A339 PolarHBondContact O-N 3.37Å; E336-A339 PolarHBondContact O-N 3.43Å; E336-A339 VanDerWaalsContact O-N 3.09Å; E337-A339 VanDerWaalsContact C-N 3.32Å; E337-A339 PolarHBondContact O-N 2.96Å; A339-F341 VanDerWaalsContact C-N 3.3Å; A339-F341 PolarHBondContact O-N 2.93Å; A339-K343 WeakPolarHBondContact O-CB 3.27Å; A339-K343 VanDerWaalsContact O-CG 3.31Å; A339-K343 WeakPolarHBondContact O-CG 3.35Å; A339-K343 PolarHBondContact O-N 2.9Å; A339-I348 HydrophobicContact CB-CD1 4.01Å; A339-P357 HydrophobicContact CB-CB 4.07Å; A339-P357 HydrophobicContact CB-CG 3.69Å; A339-I359 HydrophobicContact CB-CD1 3.96Å
340E85.2Confident81.4Confident127 Ų12774 Ų7459%0.59336%0.358SS*.Hα-helixtrans-58.1-40.2172.7-177.1103.1-102.800112.1E336 E337 K343E336-E340 WeakPolarHBondContact O-CB 3.22Å; E336-E340 PolarHBondContact O-N 3.15Å; E337-E340 WeakPolarHBondContact O-CB 2.97Å; E337-E340 PolarHBondContact O-N 3.03Å; E340-K343 WeakPolarHBondContact O-CE 3.49Å; E340-K343 WeakPolarHBondContact O-CG 3.47Å; E340-K343 WeakPolarHBondContact OE1-CE 3.11Å; E340-K343 IonicContact OE1-NZ 3.14Å; E340-K343 PolarHBondContact OE1-NZ 3.33Å
341F83.9Confident81.5Confident56 Ų5677 Ų7725%0.24637%0.373CS..Hα-helixtrans-74.7-52.7178.6-170.2-115.4000111.9E337 M338 A339 K343 F391 K394 L401E337-F341 WeakPolarHBondContact O-CB 3.2Å; E337-F341 PolarHBondContact O-N 3.39Å; M338-F341 PolarHBondContact O-N 2.96Å; A339-F341 VanDerWaalsContact C-N 3.3Å; A339-F341 PolarHBondContact O-N 2.93Å; F341-K343 PolarHBondContact O-N 2.86Å; F341-F391 AromaticContact CD1-CD1 3.76Å; F341-F391 HydrophobicContact CD1-CD1 3.76Å; F341-F391 AromaticContact CD1-CE1 3.73Å; F341-F391 HydrophobicContact CD1-CE1 3.73Å; F341-F391 HydrophobicContact CD2-CE1 4.28Å; F341-F391 HydrophobicContact CE1-CB 4.48Å; F341-F391 AromaticContact CE1-CD1 3.21Å; F341-F391 HydrophobicContact CE1-CD1 3.21Å; F341-F391 AromaticContact CE1-CE1 3.59Å; F341-F391 HydrophobicContact CE1-CE1 3.59Å; F341-F391 HydrophobicContact CE1-CG 4.09Å; F341-F391 HydrophobicContact CE2-CD1 4.33Å; F341-F391 HydrophobicContact CE2-CE1 4.15Å; F341-F391 HydrophobicContact CG-CE1 4.1Å; F341-F391 AromaticContact CZ-CD1 3.55Å; F341-F391 HydrophobicContact CZ-CD1 3.55Å; F341-F391 AromaticContact CZ-CE1 3.82Å; F341-F391 HydrophobicContact CZ-CE1 3.82Å; F341-F391 WeakPolarHBondContact O-CZ 3.44Å; F341-K394 HydrophobicContact CZ-CB 4.36Å; F341-K394 HydrophobicContact CZ-CD 3.92Å; F341-L401 HydrophobicContact CE1-CD1 3.98Å
342F82.9Confident81.5Confident1 Ų184.3 Ų84.30%0.00440%0.396CS..Hα-helixtrans-78.6-18-172.4-77.3-76.2000114.2I324 I326 M338 H344 V345 I348 L376 Y378 F391 L401 V403I324-F342 HydrophobicContact CD1-CD1 3.84Å; I324-F342 HydrophobicContact CD1-CE1 3.66Å; I324-F342 HydrophobicContact CD1-CZ 4.42Å; I326-F342 HydrophobicContact CD1-CD2 4.09Å; I326-F342 HydrophobicContact CD1-CE1 4.09Å; I326-F342 HydrophobicContact CD1-CE2 3.48Å; I326-F342 VanDerWaalsContact CD1-CE2 3.48Å; I326-F342 HydrophobicContact CD1-CZ 3.48Å; I326-F342 VanDerWaalsContact CD1-CZ 3.48Å; I326-F342 HydrophobicContact CG1-CE1 4.34Å; I326-F342 HydrophobicContact CG1-CE2 4.24Å; I326-F342 HydrophobicContact CG1-CZ 3.77Å; I326-F342 HydrophobicContact CG2-CE2 4.49Å; I326-F342 HydrophobicContact CG2-CZ 4.2Å; M338-F342 HydrophobicContact CB-CD2 4.43Å; M338-F342 HydrophobicContact CE-CE2 4.26Å; M338-F342 WeakPolarHBondContact O-CB 3.35Å; M338-F342 VanDerWaalsContact O-CD2 3.25Å; M338-F342 WeakPolarHBondContact O-CD2 3.42Å; M338-F342 PolarHBondContact O-N 3.23Å; F342-H344 PolarHBondContact O-N 2.76Å; F342-V345 PolarHBondContact O-N 2.77Å; F342-I348 HydrophobicContact CB-CD1 3.87Å; F342-L376 HydrophobicContact CB-CD1 3.47Å; F342-L376 VanDerWaalsContact CB-CD1 3.47Å; F342-L376 HydrophobicContact CD1-CD1 4.33Å; F342-L376 HydrophobicContact CD2-CD1 3.71Å; F342-L376 HydrophobicContact CG-CD1 3.58Å; F342-Y378 WeakPolarHBondContact CB-OH 3.37Å; F342-Y378 WeakPolarHBondContact CD1-OH 3.42Å; F342-Y378 PolarHBondContact O-OH 3.01Å; F342-F391 AromaticContact CD1-CD2 3.42Å; F342-F391 HydrophobicContact CD1-CD2 3.42Å; F342-F391 VanDerWaalsContact CD1-CD2 3.42Å; F342-F391 AromaticContact CD1-CE2 3.59Å; F342-F391 HydrophobicContact CD1-CE2 3.59Å; F342-F391 AromaticContact CD1-CG 3.97Å; F342-F391 HydrophobicContact CD1-CG 3.97Å; F342-F391 HydrophobicContact CD1-CZ 4.27Å; F342-F391 HydrophobicContact CE1-CB 3.68Å; F342-F391 HydrophobicContact CE1-CD1 4.33Å; F342-F391 AromaticContact CE1-CD2 3.44Å; F342-F391 HydrophobicContact CE1-CD2 3.44Å; F342-F391 VanDerWaalsContact CE1-CD2 3.44Å; F342-F391 HydrophobicContact CE1-CE2 4.1Å; F342-F391 AromaticContact CE1-CG 3.59Å; F342-F391 HydrophobicContact CE1-CG 3.59Å; F342-F391 HydrophobicContact CG-CE2 4.41Å; F342-F391 HydrophobicContact CZ-CB 4.25Å; F342-F391 HydrophobicContact CZ-CG 4.37Å; F342-L401 HydrophobicContact CZ-CD1 4.39Å; F342-V403 HydrophobicContact CE1-CG2 4.44Å; F342-V403 HydrophobicContact CZ-CG2 4.34Å
343K85.5Confident81.3Confident113 Ų11388.1 Ų88.149%0.49141%0.406SS..G310 helixtrans-62.8-22.8173.872.5-170.9-177-176.80113.3A339 E340 F341 V345 G346 I348A339-K343 WeakPolarHBondContact O-CB 3.27Å; A339-K343 VanDerWaalsContact O-CG 3.31Å; A339-K343 WeakPolarHBondContact O-CG 3.35Å; A339-K343 PolarHBondContact O-N 2.9Å; E340-K343 WeakPolarHBondContact O-CE 3.49Å; E340-K343 WeakPolarHBondContact O-CG 3.47Å; E340-K343 WeakPolarHBondContact OE1-CE 3.11Å; E340-K343 IonicContact OE1-NZ 3.14Å; E340-K343 PolarHBondContact OE1-NZ 3.33Å; F341-K343 PolarHBondContact O-N 2.86Å; K343-V345 PolarHBondContact O-N 2.64Å; K343-G346 WeakPolarHBondContact CA-O 3.4Å; K343-G346 PolarHBondContact O-N 2.88Å; K343-G346 VanDerWaalsContact O-N 3.15Å; K343-I348 HydrophobicContact CB-CD1 4.39Å
344H81.1Confident81.3Confident162 Ų16293.4 Ų93.475%0.7543%0.432SS*.G310 helixtrans-62.3-23.1-176.9-17677.2000113.3F342 F391F342-H344 PolarHBondContact O-N 2.76Å; H344-F391 HydrophobicContact CB-CZ 4.47Å
345V82Confident80.7Confident27 Ų2791.2 Ų91.216%0.16443%0.43CS..G310 helixtrans-105.7-7.1178.7-179.50000112.6F342 K343 C383 A386 A387 H390 F391F342-V345 PolarHBondContact O-N 2.77Å; K343-V345 PolarHBondContact O-N 2.64Å; V345-C383 PolarHBondContact O-SG 3.22Å; V345-A386 HydrophobicContact CG1-CB 3.55Å; V345-A387 HydrophobicContact CB-CB 4.42Å; V345-A387 HydrophobicContact CG1-CB 4.13Å; V345-H390 HydrophobicContact CG2-CB 4.05Å; V345-F391 HydrophobicContact CB-CE2 3.88Å; V345-F391 HydrophobicContact CB-CZ 4.5Å; V345-F391 HydrophobicContact CG2-CD2 4.25Å; V345-F391 HydrophobicContact CG2-CE2 3.35Å; V345-F391 HydrophobicContact CG2-CZ 3.69Å
346G83.4Confident80.4Confident11 Ų1192.9 Ų92.911%0.11344%0.437CS..SBendtrans163.8169.9172.600000115.9K343 I348 Y378K343-G346 WeakPolarHBondContact CA-O 3.4Å; K343-G346 PolarHBondContact O-N 2.88Å; K343-G346 VanDerWaalsContact O-N 3.15Å; G346-I348 PolarHBondContact O-N 3.03Å; G346-Y378 WeakPolarHBondContact O-CE1 3.17Å
347P84.8Confident80.3Confident68 Ų6887 Ų8744%0.44241%0.412SS..PPolyproline II helixtrans-63.1117.1176.825.1-32.9000111.6Y378 E379P347-Y378 WeakPolarHBondContact O-CD1 3.22Å; P347-E379 HydrophobicContact CB-CB 4.28Å; P347-E379 HydrophobicContact CG-CB 4.18Å; P347-E379 WeakPolarHBondContact O-CB 3.29Å; P347-E379 PolarHBondContact O-N 2.96Å
348I87.3Confident80.2Confident25 Ų2584.3 Ų84.313%0.12840%0.402CS..BIsolated β-bridgetrans-78.8129.1172.8-55.6170.2000108A339 F342 K343 G346 M350 P357 I359 L376 S377 Y378A339-I348 HydrophobicContact CB-CD1 4.01Å; F342-I348 HydrophobicContact CB-CD1 3.87Å; K343-I348 HydrophobicContact CB-CD1 4.39Å; G346-I348 PolarHBondContact O-N 3.03Å; I348-M350 PolarHBondContact O-N 2.8Å; I348-P357 HydrophobicContact CG2-CB 3.85Å; I348-I359 HydrophobicContact CG2-CG1 4.48Å; I348-L376 HydrophobicContact CD1-CD1 4.11Å; I348-L376 HydrophobicContact CG1-CD2 4.38Å; I348-L376 HydrophobicContact CG2-CD2 4.24Å; I348-L376 HydrophobicContact CG2-CG 4.2Å; I348-S377 WeakPolarHBondContact CG2-O 3.36Å; I348-Y378 HydrophobicContact CG1-CD1 4.29Å; I348-Y378 HydrophobicContact CG1-CE1 3.99Å
349R83.6Confident80.4Confident152 Ų15284.9 Ų84.957%0.57441%0.405SS*.PPolyproline II helixtrans-61.3120.4-176.7176.5175.1167.8169.4-3.9110.5A358 S377R349-A358 HydrophobicContact CB-CB 4.33Å; R349-A358 WeakPolarHBondContact O-CB 3.31Å; R349-A358 PolarHBondContact O-N 3.26Å; R349-S377 WeakPolarHBondContact CB-O 3.38Å; R349-S377 PolarHBondContact N-O 2.84Å
350M82.9Confident80.5Confident133 Ų13388.1 Ų88.166%0.65542%0.42SS*.BIsolated β-bridgetrans-83.8133.3-179.4-156.1-176-149.100111.3I348 R352 G355I348-M350 PolarHBondContact O-N 2.8Å; M350-R352 PolarHBondContact O-N 3.4Å; M350-G355 WeakPolarHBondContact CE-O 3.26Å
351N77.4Confident80.6Confident77 Ų7784.1 Ų84.141%0.41240%0.402SS..  trans-71.695.1170.5-88.3-48.6000109.6R353 L354 G355 Q356N351-R353 PolarHBondContact O-N 3.36Å; N351-L354 PolarHBondContact O-N 2.83Å; N351-G355 PolarHBondContact O-N 3.15Å; N351-Q356 WeakPolarHBondContact CB-O 3.45Å; N351-Q356 PolarHBondContact N-O 3.3Å
352R70.8Confident80.6Confident252 Ų25286 Ų8695%0.95141%0.408SS*.THydrogen-bonded Turntrans-56.93.2-179.9-156178.9178.5-166.7-0.7116M350M350-R352 PolarHBondContact O-N 3.4Å
353R66.8Low80.4Confident241 Ų24190 Ų9091%0.90943%0.433SS*.THydrogen-bonded Turntrans-105.5-15.8172.1-69-172.264.5-164.8-4.3114.7N351N351-R353 PolarHBondContact O-N 3.36Å
354L70.1Confident80Confident125 Ų12587 Ų8765%0.65442%0.422SS*.THydrogen-bonded Turntrans-134.2-11.3-174-67.4176.1000113.5N351 Q356N351-L354 PolarHBondContact O-N 2.83Å; L354-Q356 HydrophobicContact CB-CB 4.44Å; L354-Q356 HydrophobicContact CB-CG 4.49Å; L354-Q356 PolarHBondContact O-N 3.11Å; L354-Q356 VanDerWaalsContact O-N 3.12Å
355G70.3Confident79.5Confident44 Ų4488.4 Ų88.445%0.45443%0.426SS..SBendtrans70.1-0.2-173.800000114.2M350 N351M350-G355 WeakPolarHBondContact CE-O 3.26Å; N351-G355 PolarHBondContact O-N 3.15Å
356Q75.2Confident78.6Confident94 Ų9494.7 Ų94.744%0.43946%0.459SS..  trans-87.1147.3179.7-71174.7-30.900111.4N351 L354N351-Q356 WeakPolarHBondContact CB-O 3.45Å; N351-Q356 PolarHBondContact N-O 3.3Å; L354-Q356 HydrophobicContact CB-CB 4.44Å; L354-Q356 HydrophobicContact CB-CG 4.49Å; L354-Q356 PolarHBondContact O-N 3.11Å; L354-Q356 VanDerWaalsContact O-N 3.12Å
357P82.1Confident77.9Confident29 Ų2997.5 Ų97.519%0.18848%0.477CS..BIsolated β-bridgetrans-61.6149.2171.528.1-34.6000110.5I335 A339 I348 I359I335-P357 HydrophobicContact CG2-CG 3.71Å; A339-P357 HydrophobicContact CB-CB 4.07Å; A339-P357 HydrophobicContact CB-CG 3.69Å; I348-P357 HydrophobicContact CG2-CB 3.85Å; P357-I359 HydrophobicContact CB-CD1 4.12Å; P357-I359 HydrophobicContact CB-CG1 4.17Å; P357-I359 HydrophobicContact CG-CD1 4.04Å; P357-I359 HydrophobicContact CG-CG1 4.38Å; P357-I359 PolarHBondContact O-N 3.34Å
358A81.6Confident77Confident14 Ų1497.1 Ų97.112%0.11649%0.485CS..SBendtrans-77.663.3-178.300000112.2R349 S377R349-A358 HydrophobicContact CB-CB 4.33Å; R349-A358 WeakPolarHBondContact O-CB 3.31Å; R349-A358 PolarHBondContact O-N 3.26Å; A358-S377 PolarHBondContact O-N 2.91Å
359I86.8Confident76.2Confident13 Ų13100.6 Ų100.67%0.06750%0.499CS..EExtended strand (participates in β ladder)trans-111.3121.2176.3-55.2175.3000107.4I335 M338 A339 I348 P357 I361 T375 L376I335-I359 HydrophobicContact CG2-CB 4.35Å; I335-I359 WeakPolarHBondContact O-CD1 3.24Å; M338-I359 HydrophobicContact CB-CD1 3.84Å; M338-I359 HydrophobicContact CE-CG2 3.82Å; M338-I359 HydrophobicContact SD-CG2 3.99Å; A339-I359 HydrophobicContact CB-CD1 3.96Å; I348-I359 HydrophobicContact CG2-CG1 4.48Å; P357-I359 HydrophobicContact CB-CD1 4.12Å; P357-I359 HydrophobicContact CB-CG1 4.17Å; P357-I359 HydrophobicContact CG-CD1 4.04Å; P357-I359 HydrophobicContact CG-CG1 4.38Å; P357-I359 PolarHBondContact O-N 3.34Å; I359-I361 HydrophobicContact CG2-CG1 4.08Å; I359-T375 CarbonylContact C-O 3.33Å; I359-T375 WeakPolarHBondContact CA-O 3.3Å; I359-L376 HydrophobicContact CD1-CD1 3.83Å; I359-L376 HydrophobicContact CD1-CG 4.42Å; I359-L376 HydrophobicContact CG1-CB 4.26Å; I359-L376 HydrophobicContact CG1-CD1 3.82Å; I359-L376 HydrophobicContact CG1-CG 3.87Å
360N86.3Confident75.6Confident86 Ų8695.3 Ų95.346%0.4648%0.484SS..EExtended strand (participates in β ladder)trans-115.395.3177.6-179.999.6000108.8Y362 A374 T375N360-Y362 WeakPolarHBondContact ND2-CE1 3.43Å; N360-Y362 VanDerWaalsContact ND2-CZ 3.28Å; N360-A374 VanDerWaalsContact O-CA 3.3Å; N360-A374 WeakPolarHBondContact O-CA 3.18Å; N360-T375 PolarHBondContact N-O 3.14Å; N360-T375 PolarHBondContact O-N 3.26Å
361I86.9Confident75.2Confident43 Ų4394.4 Ų94.422%0.22148%0.477CS..EExtended strand (participates in β ladder)trans-75.1129174.3-50.8-178.6000108.6A333 I335 M338 I359 A374A333-I361 VanDerWaalsContact O-CD1 3.29Å; A333-I361 WeakPolarHBondContact O-CD1 3.39Å; I335-I361 HydrophobicContact CG1-CD1 3.76Å; I335-I361 HydrophobicContact CG1-CG1 4.21Å; M338-I361 HydrophobicContact SD-CD1 3.74Å; M338-I361 HydrophobicContact SD-CG1 3.99Å; I359-I361 HydrophobicContact CG2-CG1 4.08Å; I361-A374 HydrophobicContact CB-CB 4.4Å; I361-A374 HydrophobicContact CG1-CB 4.14Å
362Y83.9Confident75.3Confident95 Ų9590.9 Ų90.937%0.37346%0.458SS..EExtended strand (participates in β ladder)trans-89.4110.6176.8-60-81.4000109.6Y325 N360 K371 D373 T375Y325-Y362 HydrophobicContact CE2-CD2 4.39Å; Y325-Y362 HydrophobicContact CE2-CE2 4.18Å; N360-Y362 WeakPolarHBondContact ND2-CE1 3.43Å; N360-Y362 VanDerWaalsContact ND2-CZ 3.28Å; Y362-K371 WeakPolarHBondContact O-CB 3.14Å; Y362-K371 PolarHBondContact O-N 3.11Å; Y362-D373 HydrophobicContact CD2-CB 4.1Å; Y362-D373 PolarHBondContact N-O 2.85Å; Y362-T375 HydrophobicContact CE2-CG2 4.09Å; Y362-T375 PolarHBondContact OH-OG1 3.44Å
363T80.2Confident76Confident87 Ų8779.7 Ų79.753%0.53442%0.418SS..EExtended strand (participates in β ladder)trans-76.9140159.649.20000109.9P370T363-P370 HydrophobicContact CG2-CB 4.5Å
364D76.4Confident77Confident48 Ų4868.2 Ų68.226%0.25737%0.374SS..  trans-71.5127.9168-178.9-89.1000108.4D366 S367 G368 K369 K371D364-D366 PolarHBondContact OD1-N 2.72Å; D364-S367 WeakPolarHBondContact CB-OG 3.37Å; D364-S367 VanDerWaalsContact CG-OG 3.32Å; D364-S367 WeakPolarHBondContact OD1-CB 3.47Å; D364-S367 PolarHBondContact OD1-N 2.86Å; D364-S367 PolarHBondContact OD1-OG 2.68Å; D364-G368 VanDerWaalsContact O-CA 3.27Å; D364-G368 WeakPolarHBondContact O-CA 3.18Å; D364-G368 PolarHBondContact O-N 3.5Å; D364-K369 WeakPolarHBondContact CB-O 3.44Å; D364-K369 PolarHBondContact N-O 3.36Å; D364-K371 HydrophobicContact CB-CB 4.15Å; D364-K371 HydrophobicContact CB-CD 4.48Å; D364-K371 HydrophobicContact CB-CG 4.35Å
365K69.9Low77.9Confident193 Ų19363.5 Ų63.584%0.83935%0.351SS*.THydrogen-bonded Turntrans-79.6-24-167.7-67.5-168.4175-168.60113.5
366D64.4Low78.8Confident159 Ų15961.4 Ų61.485%0.8533%0.329SS*.THydrogen-bonded Turntrans-95.2-31.4-170.4-57.1-89.9000110.9D364D364-D366 PolarHBondContact OD1-N 2.72Å
367S68.4Low79.4Confident70 Ų7058.2 Ų58.249%0.4932%0.317SS..THydrogen-bonded Turntrans-95.8-14.7171.464.50000114.5D364 K369D364-S367 WeakPolarHBondContact CB-OG 3.37Å; D364-S367 VanDerWaalsContact CG-OG 3.32Å; D364-S367 WeakPolarHBondContact OD1-CB 3.47Å; D364-S367 PolarHBondContact OD1-N 2.86Å; D364-S367 PolarHBondContact OD1-OG 2.68Å; S367-K369 PolarHBondContact O-N 3.44Å; S367-K369 VanDerWaalsContact O-N 3.11Å; S367-K369 PolarHBondContact OG-N 2.62Å
368G64.7Low79.7Confident59 Ų5956.9 Ų56.961%0.60831%0.308SS*.  trans68.9-2.6-172.700000114.5D364D364-G368 VanDerWaalsContact O-CA 3.27Å; D364-G368 WeakPolarHBondContact O-CA 3.18Å; D364-G368 PolarHBondContact O-N 3.5Å
369K70.6Confident80Confident99 Ų9962.8 Ų62.843%0.4333%0.334SS..SBendtrans-81.6144.3-177.4-70.1179.4159.8-115.10111.1E331 D364 S367 K371E331-K369 VanDerWaalsContact CD-NZ 3.26Å; E331-K369 IonicContact OE1-NZ 3.59Å; E331-K369 PolarHBondContact OE1-NZ 3.04Å; E331-K369 IonicContact OE2-NZ 2.86Å; E331-K369 PolarHBondContact OE2-NZ 2.98Å; D364-K369 WeakPolarHBondContact CB-O 3.44Å; D364-K369 PolarHBondContact N-O 3.36Å; S367-K369 PolarHBondContact O-N 3.44Å; S367-K369 VanDerWaalsContact O-N 3.11Å; S367-K369 PolarHBondContact OG-N 2.62Å; K369-K371 PolarHBondContact O-N 3.2Å
370P72.1Confident80Confident41 Ų4166.9 Ų66.927%0.26635%0.353SS..EExtended strand (participates in β ladder)trans-54.1122.616324-35.3000110.2E331 T363 G372E331-P370 VanDerWaalsContact CA-CG 3.47Å; E331-P370 HydrophobicContact CB-CG 3.8Å; E331-P370 HydrophobicContact CG-CG 4.1Å; T363-P370 HydrophobicContact CG2-CB 4.5Å; P370-G372 PolarHBondContact O-N 2.97Å; P370-G372 VanDerWaalsContact O-N 3.11Å
371K75.4Confident79.9Confident113 Ų11364.9 Ų64.949%0.49134%0.344SS..EExtended strand (participates in β ladder)trans-71.1-8.3-171.4-167.2171173.4-63.50113.6Y362 D364 K369 D373Y362-K371 WeakPolarHBondContact O-CB 3.14Å; Y362-K371 PolarHBondContact O-N 3.11Å; D364-K371 HydrophobicContact CB-CB 4.15Å; D364-K371 HydrophobicContact CB-CD 4.48Å; D364-K371 HydrophobicContact CB-CG 4.35Å; K369-K371 PolarHBondContact O-N 3.2Å; K371-D373 VanDerWaalsContact C-N 3.3Å; K371-D373 IonicContact NZ-OD2 3.91Å; K371-D373 PolarHBondContact NZ-OD2 2.76Å
372G79.1Confident79.9Confident3 Ų367.6 Ų67.63%0.03136%0.363CS..EExtended strand (participates in β ladder)trans81.37.8-168.400000113.7T327 G328 L329 P370T327-G372 CarbonylContact C-O 3.58Å; T327-G372 WeakPolarHBondContact CA-O 3.35Å; G328-G372 PolarHBondContact N-O 3.37Å; L329-G372 WeakPolarHBondContact CB-O 3.45Å; L329-G372 PolarHBondContact N-O 3.07Å; L329-G372 VanDerWaalsContact O-CA 3.22Å; L329-G372 WeakPolarHBondContact O-CA 3.21Å; P370-G372 PolarHBondContact O-N 2.97Å; P370-G372 VanDerWaalsContact O-N 3.11Å
373D85.4Confident80Confident17 Ų1763.8 Ų63.89%0.09135%0.35CS..EExtended strand (participates in β ladder)trans-114.8144.7-176.4-64.8-17.5000111.4Y325 I326 T327 Y362 K371Y325-D373 HydrophobicContact CE2-CB 4.07Å; Y325-D373 VanDerWaalsContact OH-CG 3.22Å; Y325-D373 PolarHBondContact OH-OD2 2.86Å; I326-D373 CarbonylContact O-C 3.55Å; I326-D373 WeakPolarHBondContact O-CA 3.35Å; T327-D373 WeakPolarHBondContact CG2-OD1 3.42Å; Y362-D373 HydrophobicContact CD2-CB 4.1Å; Y362-D373 PolarHBondContact N-O 2.85Å; K371-D373 VanDerWaalsContact C-N 3.3Å; K371-D373 IonicContact NZ-OD2 3.91Å; K371-D373 PolarHBondContact NZ-OD2 2.76Å
374A87.5Confident80.3Confident0 Ų059.7 Ų59.70%032%0.324CS..EExtended strand (participates in β ladder)trans-151.5154.2172.700000112.1Y325 I326 L329 M338 N360 I361Y325-A374 WeakPolarHBondContact CD2-O 3.45Å; I326-A374 PolarHBondContact N-O 2.87Å; I326-A374 PolarHBondContact O-N 2.75Å; L329-A374 HydrophobicContact CD1-CB 3.59Å; M338-A374 HydrophobicContact CE-CB 3.77Å; M338-A374 HydrophobicContact SD-CB 4.44Å; N360-A374 VanDerWaalsContact O-CA 3.3Å; N360-A374 WeakPolarHBondContact O-CA 3.18Å; I361-A374 HydrophobicContact CB-CB 4.4Å; I361-A374 HydrophobicContact CG1-CB 4.14Å
375T89.6Confident80.7Confident26 Ų2663.2 Ų63.216%0.1634%0.338CS..EExtended strand (participates in β ladder)trans-105.914016039.90000110.1T323 I324 Y325 I359 N360 Y362 A406T323-T375 HydrophobicContact CG2-CG2 4.36Å; I324-T375 WeakPolarHBondContact O-CA 3.33Å; Y325-T375 HydrophobicContact CD2-CG2 3.85Å; I359-T375 CarbonylContact C-O 3.33Å; I359-T375 WeakPolarHBondContact CA-O 3.3Å; N360-T375 PolarHBondContact N-O 3.14Å; N360-T375 PolarHBondContact O-N 3.26Å; Y362-T375 HydrophobicContact CE2-CG2 4.09Å; Y362-T375 PolarHBondContact OH-OG1 3.44Å; T375-A406 HydrophobicContact CG2-CB 4.32Å
376L88.3Confident81.6Confident0 Ų055.5 Ų55.50%031%0.309CS..EExtended strand (participates in β ladder)trans-126.5128.1175.7176.9157.6000108.9T323 I324 I326 F342 I348 I359 Y378T323-L376 CarbonylContact C-O 3.56Å; T323-L376 VanDerWaalsContact CA-O 3.3Å; T323-L376 WeakPolarHBondContact CA-O 3.4Å; T323-L376 WeakPolarHBondContact CG2-O 3.4Å; I324-L376 HydrophobicContact CD1-CB 4.39Å; I324-L376 HydrophobicContact CD1-CD2 4.18Å; I324-L376 HydrophobicContact CG1-CB 3.92Å; I324-L376 HydrophobicContact CG1-CD2 4.02Å; I324-L376 PolarHBondContact N-O 2.81Å; I324-L376 PolarHBondContact O-N 2.94Å; I326-L376 HydrophobicContact CD1-CB 3.76Å; I326-L376 HydrophobicContact CD1-CD1 4.21Å; F342-L376 HydrophobicContact CB-CD1 3.47Å; F342-L376 VanDerWaalsContact CB-CD1 3.47Å; F342-L376 HydrophobicContact CD1-CD1 4.33Å; F342-L376 HydrophobicContact CD2-CD1 3.71Å; F342-L376 HydrophobicContact CG-CD1 3.58Å; I348-L376 HydrophobicContact CD1-CD1 4.11Å; I348-L376 HydrophobicContact CG1-CD2 4.38Å; I348-L376 HydrophobicContact CG2-CD2 4.24Å; I348-L376 HydrophobicContact CG2-CG 4.2Å; I359-L376 HydrophobicContact CD1-CD1 3.83Å; I359-L376 HydrophobicContact CD1-CG 4.42Å; I359-L376 HydrophobicContact CG1-CB 4.26Å; I359-L376 HydrophobicContact CG1-CD1 3.82Å; I359-L376 HydrophobicContact CG1-CG 3.87Å; L376-Y378 HydrophobicContact CD2-CD1 4.42Å; L376-Y378 HydrophobicContact CD2-CD2 3.52Å; L376-Y378 HydrophobicContact CD2-CE1 4.28Å; L376-Y378 HydrophobicContact CD2-CE2 3.36Å; L376-Y378 HydrophobicContact CD2-CG 4.08Å
377S88Confident82.7Confident27 Ų2747.9 Ų47.919%0.18927%0.269CS..EExtended strand (participates in β ladder)trans-100.9118.9175.9-51.20000111.1S322 I348 R349 A358S322-S377 CarbonylContact O-C 3.51Å; I348-S377 WeakPolarHBondContact CG2-O 3.36Å; R349-S377 WeakPolarHBondContact CB-O 3.38Å; R349-S377 PolarHBondContact N-O 2.84Å; A358-S377 PolarHBondContact O-N 2.91Å
378Y88.7Confident83.7Confident1 Ų146 Ų460%0.00426%0.255CS..BIsolated β-bridgetrans-76.5162.2164.7-76.2-79.8000111.2S322 I324 F342 G346 P347 I348 L376 E380 C383 A384 A387S322-Y378 PolarHBondContact O-N 3.5Å; I324-Y378 HydrophobicContact CD1-CE2 3.87Å; I324-Y378 HydrophobicContact CG1-CE2 4.19Å; F342-Y378 WeakPolarHBondContact CB-OH 3.37Å; F342-Y378 WeakPolarHBondContact CD1-OH 3.42Å; F342-Y378 PolarHBondContact O-OH 3.01Å; G346-Y378 WeakPolarHBondContact O-CE1 3.17Å; P347-Y378 WeakPolarHBondContact O-CD1 3.22Å; I348-Y378 HydrophobicContact CG1-CD1 4.29Å; I348-Y378 HydrophobicContact CG1-CE1 3.99Å; L376-Y378 HydrophobicContact CD2-CD1 4.42Å; L376-Y378 HydrophobicContact CD2-CD2 3.52Å; L376-Y378 HydrophobicContact CD2-CE1 4.28Å; L376-Y378 HydrophobicContact CD2-CE2 3.36Å; L376-Y378 HydrophobicContact CD2-CG 4.08Å; Y378-E380 WeakPolarHBondContact CB-O 3.44Å; Y378-C383 HydrophobicContact CD1-CB 3.92Å; Y378-C383 HydrophobicContact CE1-CB 4.38Å; Y378-C383 HydrophobicContact CG-CB 4.17Å; Y378-A384 HydrophobicContact CD2-CB 3.78Å; Y378-A384 HydrophobicContact CG-CB 4.4Å; Y378-A387 HydrophobicContact CE2-CB 3.44Å; Y378-A387 VanDerWaalsContact CE2-CB 3.44Å; Y378-A387 VanDerWaalsContact OH-CB 3.25Å; Y378-A387 WeakPolarHBondContact OH-CB 3.41Å
379E87.6Confident84.8Confident138 Ų13850.6 Ų50.665%0.64526%0.26SS*.SBendtrans-74.5-40.4167.8-174.2157.8-154.200111P347P347-E379 HydrophobicContact CB-CB 4.28Å; P347-E379 HydrophobicContact CG-CB 4.18Å; P347-E379 WeakPolarHBondContact O-CB 3.29Å; P347-E379 PolarHBondContact O-N 2.96Å
380E85.8Confident85.5Confident100 Ų10050.7 Ų50.747%0.46726%0.262SS..SBendtrans-110.7135.9-178.6-169.2169.6-135.800112.5Y378 V382 C383 A384Y378-E380 WeakPolarHBondContact CB-O 3.44Å; E380-V382 VanDerWaalsContact C-N 3.34Å; E380-V382 HydrophobicContact CG-CB 4.22Å; E380-V382 HydrophobicContact CG-CG2 4.33Å; E380-V382 PolarHBondContact O-N 2.83Å; E380-C383 HydrophobicContact CB-CB 4.47Å; E380-C383 PolarHBondContact O-N 2.6Å; E380-A384 PolarHBondContact O-N 3.19Å
381P84.6Confident86Confident44 Ų4448.9 Ų48.929%0.28625%0.25SC..Hα-helixtrans-69.7-27.6179.726.3-33.4000113.7S322 A384 K385S322-P381 WeakPolarHBondContact OG-CB 3.15Å; S322-P381 WeakPolarHBondContact OG-CD 3.44Å; P381-A384 WeakPolarHBondContact O-CB 3.36Å; P381-A384 PolarHBondContact O-N 2.81Å; P381-A384 VanDerWaalsContact O-N 3.15Å; P381-K385 PolarHBondContact O-N 2.81Å
382V86.9Confident86.6Confident100 Ų10047.3 Ų47.361%0.60625%0.247SC*.Hα-helixtrans-62.7-45176.2-1740000110.4E380 A384 K385 A386E380-V382 VanDerWaalsContact C-N 3.34Å; E380-V382 HydrophobicContact CG-CB 4.22Å; E380-V382 HydrophobicContact CG-CG2 4.33Å; E380-V382 PolarHBondContact O-N 2.83Å; V382-A384 VanDerWaalsContact C-N 3.31Å; V382-A384 PolarHBondContact O-N 3.2Å; V382-K385 PolarHBondContact O-N 2.87Å; V382-A386 PolarHBondContact O-N 3.42Å
383C86.4Confident86.8Confident15 Ų1548 Ų4810%0.10125%0.254CS..Hα-helixtrans-59.9-38.1172.3-64.90000112.6V345 Y378 E380 A386 A387V345-C383 PolarHBondContact O-SG 3.22Å; Y378-C383 HydrophobicContact CD1-CB 3.92Å; Y378-C383 HydrophobicContact CE1-CB 4.38Å; Y378-C383 HydrophobicContact CG-CB 4.17Å; E380-C383 HydrophobicContact CB-CB 4.47Å; E380-C383 PolarHBondContact O-N 2.6Å; C383-A386 PolarHBondContact O-N 2.76Å; C383-A387 WeakPolarHBondContact O-CB 3.21Å; C383-A387 PolarHBondContact O-N 3.27Å
384A86.1Confident86.8Confident0 Ų051.5 Ų51.50%027%0.268CS..Hα-helixtrans-63-43176.200000112.3I324 Y378 E380 P381 V382 A387 V388 M405I324-A384 HydrophobicContact CG2-CB 4.06Å; I324-A384 VanDerWaalsContact CG2-O 3.31Å; I324-A384 WeakPolarHBondContact CG2-O 3.26Å; Y378-A384 HydrophobicContact CD2-CB 3.78Å; Y378-A384 HydrophobicContact CG-CB 4.4Å; E380-A384 PolarHBondContact O-N 3.19Å; P381-A384 WeakPolarHBondContact O-CB 3.36Å; P381-A384 PolarHBondContact O-N 2.81Å; P381-A384 VanDerWaalsContact O-N 3.15Å; V382-A384 VanDerWaalsContact C-N 3.31Å; V382-A384 PolarHBondContact O-N 3.2Å; A384-A387 PolarHBondContact O-N 3.02Å; A384-V388 PolarHBondContact O-N 3.15Å; A384-M405 HydrophobicContact CB-CE 4.25Å
385K86.3Confident86.4Confident123 Ų12358.1 Ų58.154%0.53530%0.299SS..Hα-helixtrans-64.9-48.2175.6-176.2177.8177.2178.20112P381 V382 A387 V388 E389P381-K385 PolarHBondContact O-N 2.81Å; V382-K385 PolarHBondContact O-N 2.87Å; K385-A387 PolarHBondContact O-N 3.06Å; K385-V388 WeakPolarHBondContact O-CB 3.43Å; K385-V388 PolarHBondContact O-N 2.69Å; K385-V388 VanDerWaalsContact O-N 3.15Å; K385-E389 PolarHBondContact O-N 2.68Å
386A88.3Confident85.7Confident30 Ų3057.8 Ų57.825%0.24830%0.296CS..Hα-helixtrans-61.3-33.2176.400000112V345 V382 C383 E389 H390V345-A386 HydrophobicContact CG1-CB 3.55Å; V382-A386 PolarHBondContact O-N 3.42Å; C383-A386 PolarHBondContact O-N 2.76Å; A386-E389 PolarHBondContact O-N 3.35Å; A386-H390 WeakPolarHBondContact O-CB 2.88Å; A386-H390 PolarHBondContact O-CD2 3.31Å; A386-H390 VanDerWaalsContact O-CD2 3.3Å; A386-H390 PolarHBondContact O-N 2.84Å
387A88Confident84.9Confident0 Ų061.8 Ų61.80%031%0.314CS..Hα-helixtrans-69.6-30176.700000113.1I324 V345 Y378 C383 A384 K385 F391I324-A387 HydrophobicContact CD1-CB 4.22Å; V345-A387 HydrophobicContact CB-CB 4.42Å; V345-A387 HydrophobicContact CG1-CB 4.13Å; Y378-A387 HydrophobicContact CE2-CB 3.44Å; Y378-A387 VanDerWaalsContact CE2-CB 3.44Å; Y378-A387 VanDerWaalsContact OH-CB 3.25Å; Y378-A387 WeakPolarHBondContact OH-CB 3.41Å; C383-A387 WeakPolarHBondContact O-CB 3.21Å; C383-A387 PolarHBondContact O-N 3.27Å; A384-A387 PolarHBondContact O-N 3.02Å; K385-A387 PolarHBondContact O-N 3.06Å; A387-F391 HydrophobicContact CB-CD2 3.93Å; A387-F391 HydrophobicContact CB-CE2 4.23Å; A387-F391 VanDerWaalsContact O-CB 3.28Å; A387-F391 WeakPolarHBondContact O-CB 3.19Å; A387-F391 VanDerWaalsContact O-CD2 3.28Å; A387-F391 WeakPolarHBondContact O-CD2 3.37Å; A387-F391 PolarHBondContact O-N 3.14Å
388V88.6Confident84.3Confident31 Ų3163.7 Ų63.719%0.18834%0.338CS..Hα-helixtrans-61.7-53.6168.6174.30000109.6I324 A384 K385 H390 F391 D392 V403 M405I324-V388 HydrophobicContact CG2-CG2 3.86Å; A384-V388 PolarHBondContact O-N 3.15Å; K385-V388 WeakPolarHBondContact O-CB 3.43Å; K385-V388 PolarHBondContact O-N 2.69Å; K385-V388 VanDerWaalsContact O-N 3.15Å; V388-H390 PolarHBondContact O-N 3.47Å; V388-F391 PolarHBondContact O-N 2.75Å; V388-D392 WeakPolarHBondContact O-CB 3.37Å; V388-D392 PolarHBondContact O-N 2.98Å; V388-V403 HydrophobicContact CG2-CG1 4.18Å; V388-M405 HydrophobicContact CG2-CG 4.18Å; V388-M405 HydrophobicContact CG2-SD 3.53Å; V388-M405 VanDerWaalsContact CG2-SD 3.53Å
389E87.9Confident83.8Confident155 Ų15569.1 Ų69.172%0.72436%0.359SS*.Hα-helixtrans-65.2-36.2-176.1-168.4172164.600113.3K385 A386K385-E389 PolarHBondContact O-N 2.68Å; A386-E389 PolarHBondContact O-N 3.35Å
390H84.4Confident83.6Confident101 Ų10170.5 Ų70.547%0.46836%0.358SS..Hα-helixtrans-89.5-10.2-178.7-65.8-35.4000115.2V345 A386 V388 K394V345-H390 HydrophobicContact CG2-CB 4.05Å; A386-H390 WeakPolarHBondContact O-CB 2.88Å; A386-H390 PolarHBondContact O-CD2 3.31Å; A386-H390 VanDerWaalsContact O-CD2 3.3Å; A386-H390 PolarHBondContact O-N 2.84Å; V388-H390 PolarHBondContact O-N 3.47Å; H390-K394 WeakPolarHBondContact O-CD 3.33Å; H390-K394 WeakPolarHBondContact O-CE 3.35Å; H390-K394 PolarHBondContact O-NZ 2.85Å
391F83.4Confident83.8Confident3 Ų365.9 Ų65.91%0.01334%0.336CS..Hα-helixtrans-126-11.8179.7-60.2-71.6000115.3F341 F342 H344 V345 A387 V388 G393 K394 V403F341-F391 AromaticContact CD1-CD1 3.76Å; F341-F391 HydrophobicContact CD1-CD1 3.76Å; F341-F391 AromaticContact CD1-CE1 3.73Å; F341-F391 HydrophobicContact CD1-CE1 3.73Å; F341-F391 HydrophobicContact CD2-CE1 4.28Å; F341-F391 HydrophobicContact CE1-CB 4.48Å; F341-F391 AromaticContact CE1-CD1 3.21Å; F341-F391 HydrophobicContact CE1-CD1 3.21Å; F341-F391 AromaticContact CE1-CE1 3.59Å; F341-F391 HydrophobicContact CE1-CE1 3.59Å; F341-F391 HydrophobicContact CE1-CG 4.09Å; F341-F391 HydrophobicContact CE2-CD1 4.33Å; F341-F391 HydrophobicContact CE2-CE1 4.15Å; F341-F391 HydrophobicContact CG-CE1 4.1Å; F341-F391 AromaticContact CZ-CD1 3.55Å; F341-F391 HydrophobicContact CZ-CD1 3.55Å; F341-F391 AromaticContact CZ-CE1 3.82Å; F341-F391 HydrophobicContact CZ-CE1 3.82Å; F341-F391 WeakPolarHBondContact O-CZ 3.44Å; F342-F391 AromaticContact CD1-CD2 3.42Å; F342-F391 HydrophobicContact CD1-CD2 3.42Å; F342-F391 VanDerWaalsContact CD1-CD2 3.42Å; F342-F391 AromaticContact CD1-CE2 3.59Å; F342-F391 HydrophobicContact CD1-CE2 3.59Å; F342-F391 AromaticContact CD1-CG 3.97Å; F342-F391 HydrophobicContact CD1-CG 3.97Å; F342-F391 HydrophobicContact CD1-CZ 4.27Å; F342-F391 HydrophobicContact CE1-CB 3.68Å; F342-F391 HydrophobicContact CE1-CD1 4.33Å; F342-F391 AromaticContact CE1-CD2 3.44Å; F342-F391 HydrophobicContact CE1-CD2 3.44Å; F342-F391 VanDerWaalsContact CE1-CD2 3.44Å; F342-F391 HydrophobicContact CE1-CE2 4.1Å; F342-F391 AromaticContact CE1-CG 3.59Å; F342-F391 HydrophobicContact CE1-CG 3.59Å; F342-F391 HydrophobicContact CG-CE2 4.41Å; F342-F391 HydrophobicContact CZ-CB 4.25Å; F342-F391 HydrophobicContact CZ-CG 4.37Å; H344-F391 HydrophobicContact CB-CZ 4.47Å; V345-F391 HydrophobicContact CB-CE2 3.88Å; V345-F391 HydrophobicContact CB-CZ 4.5Å; V345-F391 HydrophobicContact CG2-CD2 4.25Å; V345-F391 HydrophobicContact CG2-CE2 3.35Å; V345-F391 HydrophobicContact CG2-CZ 3.69Å; A387-F391 HydrophobicContact CB-CD2 3.93Å; A387-F391 HydrophobicContact CB-CE2 4.23Å; A387-F391 VanDerWaalsContact O-CB 3.28Å; A387-F391 WeakPolarHBondContact O-CB 3.19Å; A387-F391 VanDerWaalsContact O-CD2 3.28Å; A387-F391 WeakPolarHBondContact O-CD2 3.37Å; A387-F391 PolarHBondContact O-N 3.14Å; V388-F391 PolarHBondContact O-N 2.75Å; F391-G393 PolarHBondContact O-N 2.76Å; F391-K394 HydrophobicContact CD1-CD 3.89Å; F391-K394 PolarHBondContact O-N 2.84Å; F391-V403 HydrophobicContact CB-CG2 3.94Å
392D88.8Confident83.9Confident80 Ų8070 Ų7043%0.42835%0.35SS..THydrogen-bonded Turntrans-62.6131.5171.1-167.440000110.9V388 K394 K402 V403V388-D392 WeakPolarHBondContact O-CB 3.37Å; V388-D392 PolarHBondContact O-N 2.98Å; D392-K394 VanDerWaalsContact C-N 3.29Å; D392-K394 PolarHBondContact O-N 3.15Å; D392-K402 WeakPolarHBondContact OD1-CA 3.37Å; D392-K402 WeakPolarHBondContact OD1-CG 3.11Å; D392-V403 HydrophobicContact CB-CB 4.28Å; D392-V403 PolarHBondContact OD1-N 2.81Å
393G82.6Confident84.1Confident18 Ų1865.3 Ų65.319%0.18632%0.322CS..THydrogen-bonded Turntrans78.3-8.3179.700000116.9F391 R400 L401F391-G393 PolarHBondContact O-N 2.76Å; G393-R400 PolarHBondContact O-NE 2.84Å; G393-R400 VanDerWaalsContact O-NE 3.15Å; G393-R400 PolarHBondContact O-NH2 2.93Å; G393-L401 WeakPolarHBondContact CA-O 3.34Å; G393-L401 PolarHBondContact N-O 2.81Å
394K84.3Confident84.1Confident89 Ų8967.5 Ų67.539%0.38734%0.337SS..  trans-66.3146.9175.2-88.7-175.7179.3157.50111.6F341 H390 F391 D392 L401F341-K394 HydrophobicContact CZ-CB 4.36Å; F341-K394 HydrophobicContact CZ-CD 3.92Å; H390-K394 WeakPolarHBondContact O-CD 3.33Å; H390-K394 WeakPolarHBondContact O-CE 3.35Å; H390-K394 PolarHBondContact O-NZ 2.85Å; F391-K394 HydrophobicContact CD1-CD 3.89Å; F391-K394 PolarHBondContact O-N 2.84Å; D392-K394 VanDerWaalsContact C-N 3.29Å; D392-K394 PolarHBondContact O-N 3.15Å; K394-L401 PolarHBondContact O-N 2.98Å
395E80.9Confident84.1Confident139 Ų13969 Ų6965%0.6535%0.345SS*.EExtended strand (participates in β ladder)trans-87132.8175.8-68.2-172.3125.400112.3R399 R400E395-R399 CarbonylContact C-O 3.56Å; E395-R399 WeakPolarHBondContact CA-O 3.47Å; E395-R400 HydrophobicContact CG-CG 3.62Å
396F73.1Confident83.8Confident20 Ų2063.8 Ų63.89%0.08832%0.324CS..EExtended strand (participates in β ladder)trans-126.9122173.7-177.5-90.8000108.5L329 A333 E337 G398 R399 L401L329-F396 HydrophobicContact CD2-CD1 4.33Å; A333-F396 HydrophobicContact CB-CE1 3.85Å; E337-F396 HydrophobicContact CB-CE2 4.43Å; E337-F396 HydrophobicContact CB-CZ 4.06Å; F396-G398 PolarHBondContact O-N 3.23Å; F396-R399 PolarHBondContact N-O 3.29Å; F396-R399 PolarHBondContact O-N 2.83Å; F396-L401 HydrophobicContact CB-CD1 3.69Å; F396-L401 HydrophobicContact CB-CD2 3.87Å; F396-L401 HydrophobicContact CB-CG 3.65Å; F396-L401 HydrophobicContact CG-CD1 4.3Å
397Q72.4Confident83Confident83 Ų8370.6 Ų70.639%0.38834%0.343SS..THydrogen-bonded Turntrans48.233.2-178.2-62.4179.94.600114.2T330 K332 E337T330-Q397 HydrophobicContact CG2-CB 3.68Å; T330-Q397 PolarHBondContact OG1-OE1 2.91Å; K332-Q397 PolarHBondContact O-NE2 2.74Å; E337-Q397 PolarHBondContact OE1-NE2 2.79Å; E337-Q397 PolarHBondContact OE2-NE2 2.91Å
398G74.6Confident81.6Confident67 Ų6778 Ų7869%0.69137%0.371SS*.THydrogen-bonded Turntrans84.414.5179.300000116F396F396-G398 PolarHBondContact O-N 3.23Å
399R78.5Confident79.6Confident116 Ų11686.1 Ų86.144%0.43840%0.404SS..EExtended strand (participates in β ladder)trans-123.7140.6165.7-71.4-174.8176.5167-1.8110.8G328 L329 T330 E395 F396 L401G328-R399 WeakPolarHBondContact O-CB 3.47Å; G328-R399 WeakPolarHBondContact O-CD 3.35Å; L329-R399 PolarHBondContact O-NH1 2.79Å; L329-R399 VanDerWaalsContact O-NH1 3.07Å; T330-R399 HydrophobicContact CG2-CB 4.15Å; T330-R399 HydrophobicContact CG2-CG 3.9Å; E395-R399 CarbonylContact C-O 3.56Å; E395-R399 WeakPolarHBondContact CA-O 3.47Å; F396-R399 PolarHBondContact N-O 3.29Å; F396-R399 PolarHBondContact O-N 2.83Å; R399-L401 PolarHBondContact O-N 3.03Å
400R84.9Confident77.6Confident167 Ų16782 Ų8263%0.6339%0.391SS*.EExtended strand (participates in β ladder)trans-69.1116.4170.1-65.9-172.968.9-141.7-1109.8G393 E395G393-R400 PolarHBondContact O-NE 2.84Å; G393-R400 VanDerWaalsContact O-NE 3.15Å; G393-R400 PolarHBondContact O-NH2 2.93Å; E395-R400 HydrophobicContact CG-CG 3.62Å
401L88.8Confident75.7Confident2 Ų286.2 Ų86.21%0.0141%0.413CS..  trans-68.1143.9166.7-60.3-173.2000109.4I326 T327 L329 F341 F342 G393 K394 F396 R399I326-L401 HydrophobicContact CG2-CD1 4.34Å; I326-L401 HydrophobicContact CG2-CD2 4.38Å; T327-L401 CarbonylContact O-C 3.53Å; T327-L401 WeakPolarHBondContact O-CA 3.41Å; L329-L401 HydrophobicContact CB-CD2 4.42Å; L329-L401 HydrophobicContact CD2-CD1 4.42Å; L329-L401 HydrophobicContact CD2-CD2 3.63Å; L329-L401 HydrophobicContact CG-CD2 3.86Å; F341-L401 HydrophobicContact CE1-CD1 3.98Å; F342-L401 HydrophobicContact CZ-CD1 4.39Å; G393-L401 WeakPolarHBondContact CA-O 3.34Å; G393-L401 PolarHBondContact N-O 2.81Å; K394-L401 PolarHBondContact O-N 2.98Å; F396-L401 HydrophobicContact CB-CD1 3.69Å; F396-L401 HydrophobicContact CB-CD2 3.87Å; F396-L401 HydrophobicContact CB-CG 3.65Å; F396-L401 HydrophobicContact CG-CD1 4.3Å; R399-L401 PolarHBondContact O-N 3.03Å
402K87.8Confident74Confident130 Ų13093.6 Ų93.657%0.56545%0.449SS*.EExtended strand (participates in β ladder)trans-118.6124.4163.9166.8167.4-171.6169.90109.5T327 D392T327-K402 PolarHBondContact N-O 3.35Å; T327-K402 PolarHBondContact O-N 2.88Å; T327-K402 WeakPolarHBondContact OG1-CB 3.26Å; T327-K402 PolarHBondContact OG1-O 2.76Å; D392-K402 WeakPolarHBondContact OD1-CA 3.37Å; D392-K402 WeakPolarHBondContact OD1-CG 3.11Å
403V89.3Confident72.1Confident3 Ų393.2 Ų93.22%0.01847%0.465CS..EExtended strand (participates in β ladder)trans-117.4139-173.5-170.40000109.3I324 Y325 I326 F342 V388 F391 D392I324-V403 HydrophobicContact CB-CG1 4.1Å; I324-V403 HydrophobicContact CD1-CG1 3.72Å; I324-V403 HydrophobicContact CG1-CG1 4.43Å; Y325-V403 WeakPolarHBondContact O-CA 3.21Å; I326-V403 HydrophobicContact CG1-CG1 4.27Å; I326-V403 HydrophobicContact CG1-CG2 4.36Å; I326-V403 HydrophobicContact CG2-CG2 4.42Å; F342-V403 HydrophobicContact CE1-CG2 4.44Å; F342-V403 HydrophobicContact CZ-CG2 4.34Å; V388-V403 HydrophobicContact CG2-CG1 4.18Å; F391-V403 HydrophobicContact CB-CG2 3.94Å; D392-V403 HydrophobicContact CB-CB 4.28Å; D392-V403 PolarHBondContact OD1-N 2.81Å
404S86.9Confident70.7Confident60 Ų6094.7 Ų94.742%0.4248%0.48SS..EExtended strand (participates in β ladder)trans-149.7156.1-177-162.30000110.5I324 Y325 A406I324-S404 CarbonylContact C-O 3.44Å; I324-S404 WeakPolarHBondContact CA-O 3.48Å; Y325-S404 PolarHBondContact N-O 3.35Å; Y325-S404 PolarHBondContact O-N 2.96Å; S404-A406 PolarHBondContact O-N 3.22Å
405M86.4Confident69.3Low33 Ų3398 Ų9816%0.16350%0.498CS..EExtended strand (participates in β ladder)trans-60.5125170.8-60.7-54.8-77.800108.6D318 N321 I324 A384 V388 R407D318-M405 HydrophobicContact CB-CB 4.47Å; D318-M405 WeakPolarHBondContact O-CE 3.18Å; N321-M405 HydrophobicContact CB-CE 4.33Å; N321-M405 WeakPolarHBondContact O-CE 3.13Å; I324-M405 HydrophobicContact CG2-SD 4.43Å; A384-M405 HydrophobicContact CB-CE 4.25Å; V388-M405 HydrophobicContact CG2-CG 4.18Å; V388-M405 HydrophobicContact CG2-SD 3.53Å; V388-M405 VanDerWaalsContact CG2-SD 3.53Å; M405-R407 PolarHBondContact O-N 3.25Å
406A80.7Confident67.9Low13 Ų13101.1 Ų101.111%0.10751%0.505CS..  trans-72.6103178.900000108.4T323 T375 S404 R408T323-A406 HydrophobicContact CG2-CB 3.71Å; T323-A406 WeakPolarHBondContact O-CB 3.31Å; T323-A406 PolarHBondContact O-N 2.96Å; T375-A406 HydrophobicContact CG2-CB 4.32Å; S404-A406 PolarHBondContact O-N 3.22Å; A406-R408 VanDerWaalsContact C-N 3.3Å; A406-R408 PolarHBondContact O-N 3.44Å
407R71.8Confident66.4Low172 Ų172102.6 Ų102.665%0.64953%0.525SS*.  trans-55.694.9169.1-68.9-177.6178-69.5-10109D318 M405 K409D318-R407 IonicContact OD1-NH1 3.42Å; D318-R407 IonicContact OD2-CZ 2.69Å; D318-R407 IonicContact OD2-NH1 2.68Å; D318-R407 PolarHBondContact OD2-NH1 2.99Å; D318-R407 IonicContact OD2-NH2 3.52Å; D318-R407 PolarHBondContact OD2-NH2 2.82Å; D318-R407 VanDerWaalsContact OD2-NH2 3.14Å; M405-R407 PolarHBondContact O-N 3.25Å; R407-K409 PolarHBondContact O-N 2.97Å; R407-K409 VanDerWaalsContact O-N 3.14Å
408R58.2Low65.1Low156 Ų156100.8 Ų100.859%0.58953%0.528SS*.  trans-50.1123.4167.760.1-170.1-86.6-156.1-2.4106.4N321 A406 P410N321-R408 WeakPolarHBondContact OD1-CD 3.28Å; N321-R408 WeakPolarHBondContact OD1-CG 3.28Å; A406-R408 VanDerWaalsContact C-N 3.3Å; A406-R408 PolarHBondContact O-N 3.44Å; R408-P410 WeakPolarHBondContact O-CD 3.4Å
409K46.3Very low63.8Low202 Ų202103.7 Ų103.788%0.87853%0.526SS*.  trans-62.1111.8173.9-127.9160.8-174.1164.60105.5R407 M411R407-K409 PolarHBondContact O-N 2.97Å; R407-K409 VanDerWaalsContact O-N 3.14Å; K409-M411 PolarHBondContact O-N 3.45Å
410P45.8Very low62.4Low69 Ų69100.8 Ų100.845%0.44852%0.522SS..  trans-60.7134.2-17725.4-33.2000106.7R408 M412R408-P410 WeakPolarHBondContact O-CD 3.4Å; P410-M412 PolarHBondContact O-N 2.78Å
411M43.5Very low60.8Low189 Ų189100.3 Ų100.393%0.93153%0.529SS*.  trans-77.263.1179-167.8167.3169.900108.9K409 G413K409-M411 PolarHBondContact O-N 3.45Å; M411-G413 PolarHBondContact O-N 3.2Å
412M48.9Very low58.6Low157 Ų157111.1 Ų111.177%0.77357%0.569SS**  trans-68.170.4175.2-102.9-67.2-141.100109.1P410P410-M412 PolarHBondContact O-N 2.78Å
413G48Very low56.6Low73 Ų73110.9 Ų110.975%0.75357%0.574SS**SBendtrans-147.925.2-175.200000111.4M411M411-G413 PolarHBondContact O-N 3.2Å
414G53.1Low54.7Low49 Ų49114.2 Ų114.251%0.50561%0.609SS.*SBendtrans-170.8129.9177.600000111.9
415M55.7Low53.2Low157 Ų157120.2 Ų120.277%0.77363%0.632SS**SBendtrans61.446.7159-65.871.5175.100119.6M555M415-M555 HydrophobicContact CB-CE 4.13Å; M415-M555 WeakPolarHBondContact O-CE 3.31Å
416R51.7Low51.7Low206 Ų206128.4 Ų128.478%0.77767%0.673SS**  trans-148.1109.5146.3-134173.6-175.1177.21.2112.3
417G40.3Very low50.3Low51 Ų51131.3 Ų131.353%0.52670%0.704SS.*  trans149.684.8-178.200000112.1G554G417-G554 WeakPolarHBondContact O-CA 3.38Å
418G45.7Very low48.8Very low44 Ų44134.6 Ų134.645%0.45472%0.717SS.*BIsolated β-bridgetrans-78.2165.1-173.500000115.1P420 G553 G554G418-P420 VanDerWaalsContact O-CD 3.26Å; G418-P420 WeakPolarHBondContact O-CD 3.35Å; G418-G553 WeakPolarHBondContact O-CA 3.35Å; G418-G553 PolarHBondContact O-N 2.83Å; G418-G554 CarbonylContact C-O 3.56Å
419M46.8Very low48.3Very low129 Ų129131 Ų13164%0.63573%0.728SS**PPolyproline II helixtrans-62.2127.2166.8-86178.4-146.500109.9G553 G554 M555M419-G553 VanDerWaalsContact CG-C 3.47Å; M419-G553 VanDerWaalsContact CG-O 3.31Å; M419-G553 WeakPolarHBondContact CG-O 3.45Å; M419-G554 WeakPolarHBondContact CB-O 3.3Å; M419-G554 VanDerWaalsContact CG-O 3.24Å; M419-G554 WeakPolarHBondContact CG-O 3.49Å; M419-G554 PolarHBondContact N-O 2.99Å; M419-M555 WeakPolarHBondContact CE-O 3.44Å
420P49.9Very low48Very low55 Ų55124.8 Ų124.836%0.35772%0.721SS.*PPolyproline II helix-77.1152.5125.21.419.4000109.2G418 R552 G553G418-P420 VanDerWaalsContact O-CD 3.26Å; G418-P420 WeakPolarHBondContact O-CD 3.35Å; P420-R552 HydrophobicContact CB-CG 4.09Å; P420-R552 HydrophobicContact CG-CG 4.02Å; P420-R552 WeakPolarHBondContact O-CG 3.17Å; P420-G553 VanDerWaalsContact CD-N 3.31Å
421M50.8Low48.2Very low156 Ų156130.5 Ų130.577%0.76874%0.744SS**PPolyproline II helixtrans-71.8145.5168.8-58.5178.3-176.900109.7D423 R552M421-D423 PolarHBondContact O-N 3.44Å; M421-R552 PolarHBondContact O-NE 2.92Å; M421-R552 PolarHBondContact O-NH2 3.4Å
422R42.1Very low48.1Very low230 Ų230130.8 Ų130.887%0.86875%0.746SS**  trans-80.1100.5161.2-178.4172177163.2-1.1108.5G424R422-G424 PolarHBondContact O-N 3.39Å
423D47.2Very low48.1Very low125 Ų125127.2 Ų127.267%0.66875%0.749SS**  trans-52.8133.9172.3-60-92.8000111.3M421 R552M421-D423 PolarHBondContact O-N 3.44Å; D423-R552 IonicContact OD2-NH2 2.75Å; D423-R552 PolarHBondContact OD2-NH2 2.9Å
424G49.7Very low47.8Very low72 Ų72135.3 Ų135.374%0.74276%0.757SS**  trans113.954.7176.200000116.5R422R422-G424 PolarHBondContact O-N 3.39Å
425M55.3Low47.1Very low186 Ų186136.8 Ų136.892%0.91677%0.771SS**  trans-15321.8148.5-141.958.6174.300117.1
426M53.6Low46.3Very low205 Ų205132.9 Ų132.9100%1.0177%0.771SS**  trans-101.887.8156.5-80.7-163.617400108.6
427G52.3Low46.1Very low74 Ų74130.2 Ų130.276%0.76377%0.773SS**  trans-161.218.2-169.100000115.8
428R41Very low46Very low242 Ų242139.6 Ų139.691%0.91379%0.792SS**SBendtrans-153.7130.2167.8-167.1161.7-69-121.8-0.8109.9
429G45.7Very low45.6Very low80 Ų80141.5 Ų141.583%0.82581%0.812SS**  trans-65.5147.4176.300000111.8
430G41.8Very low45.1Very low72 Ų72138.4 Ų138.474%0.74281%0.813SS**  trans-159.940.3-170.500000114M432G430-M432 PolarHBondContact O-N 3.28Å
431M49Very low44.3Very low188 Ų188146.2 Ų146.293%0.92684%0.842SS**  trans-65.7101.1164.9-87.477.6165.200109.6
432M42.4Very low44Very low196 Ų196142 Ų14297%0.96684%0.838SS**  trans-173.4125.6137-104.2176.8-167.400110.1G430G430-M432 PolarHBondContact O-N 3.28Å
433G47.7Very low44.8Very low81 Ų81137.1 Ų137.184%0.83584%0.837SS**  trans-168.322.5-173.100000116.5
434R41.4Very low44.5Very low244 Ų244143.6 Ų143.692%0.92185%0.852SS**SBendtrans-167.9125.3168.4-176.2165.5-70.1-136.2-2.9113.5
435G40Very low43.6Very low79 Ų79144 Ų14481%0.81486%0.855SS**  trans78.6130.7155.600000116.9
436G37.7Very low42.6Very low75 Ų75138.7 Ų138.777%0.77385%0.849SS**  trans165.173.818000000114.1R438G436-R438 PolarHBondContact O-N 3.4Å
437D48.8Very low42.2Very low151 Ų151135.2 Ų135.281%0.80784%0.841SS**  trans-74.3115.1-174.5-53.8-107.4000113.7
438R38.3Very low42Very low248 Ų248143.9 Ų143.994%0.93685%0.851SS**  trans-175.6114.6154-115.4165.2-85.5-171.5-10.2114.9G436G436-R438 PolarHBondContact O-N 3.4Å
439G36.1Very low41.8Very low84 Ų84136 Ų13687%0.86684%0.844SS**  trans68.1161.816300000117
440G36.8Very low41.8Very low64 Ų64140.6 Ų140.666%0.6685%0.847SS**  cis168.1138-9.700000112
441F32.8Very low41.5Very low219 Ų219140.4 Ų140.496%0.96185%0.845SS**  trans63.6133.6171.4-60.7-91.2000119.3
442G44.4Very low41.5Very low67 Ų67142.8 Ų142.869%0.69184%0.843SS**  trans-107.6-133.7155.400000108.9
443P59.2Low41.7Very low128 Ų128137.1 Ų137.183%0.83184%0.835SS**  cis-139.4165.7-21.340.8-25.2000114.3
444R39.8Very low41Very low261 Ų261136.3 Ų136.399%0.98583%0.827SS**  trans-173127.5155.3-116.2172.4175148.4-2.2109.8
445G32.8Very low41.2Very low80 Ų80130.9 Ų130.983%0.82582%0.823SS**  cis178144.9-11.500000110.3
446G32.3Very low41.4Very low75 Ų75134.1 Ų134.177%0.77383%0.828SS**  trans153.3123.1179.200000113.3
447P46.1Very low41.7Very low132 Ų132133.9 Ų133.986%0.85783%0.825SS**  trans-92.1173.7-173.636.4-35.9000114.5
448R48.3Very low41.4Very low256 Ų256129.5 Ų129.597%0.96682%0.815SS**  trans-61.3131.7-179.9-60.9173174.296.5-2.3112
449G35.9Very low41.9Very low75 Ų75124.4 Ų124.477%0.77381%0.807SS**  trans-150.2131.1171.200000111.2
450M45.7Very low42.6Very low178 Ų178126.7 Ų126.788%0.87780%0.797SS**  trans-70.6129.3-172-179.564.6152.600112.4R452M450-R452 HydrophobicContact CE-CG 4.45Å
451G35.8Very low43.5Very low68 Ų68130.2 Ų130.270%0.70180%0.796SS**  trans-158.770.5-179.800000113.5G453G451-G453 PolarHBondContact O-N 3.37Å
452R50.3Low44.8Very low237 Ų237125.4 Ų125.489%0.89478%0.777SS**  trans-70.591.4168.4-79.6-170.9174.8-168.20.6109.3M450M450-R452 HydrophobicContact CE-CG 4.45Å
453G45.6Very low45.7Very low77 Ų77132 Ų13279%0.79478%0.781SS**  trans-168.548.9-173.700000114.6G451G451-G453 PolarHBondContact O-N 3.37Å
454G33.7Very low46Very low65 Ų65131 Ų13167%0.6778%0.783SS**  trans-130129.2170.600000109.9
455P45.6Very low47.7Very low129 Ų129120.7 Ų120.784%0.83876%0.758SS**  trans-69.2142-179.928.8-34.1000110.8G457P455-G457 PolarHBondContact O-N 2.77Å
456T43.8Very low50.3Low148 Ų148119 Ų11991%0.90873%0.73SS**  trans-71.479.8173.7-53.40000109.8G458T456-G458 PolarHBondContact O-N 3.06Å
457G43.5Very low52.9Low69 Ų69115.8 Ų115.871%0.71169%0.694SS**  trans-69.570.7-179.600000113.2P455 N459P455-G457 PolarHBondContact O-N 2.77Å; G457-N459 PolarHBondContact O-N 2.86Å
458G41.8Very low55Low59 Ų59113.4 Ų113.461%0.60867%0.672SS**  trans-57.7134.9166.100000110.1T456 M460T456-G458 PolarHBondContact O-N 3.06Å; G458-M460 PolarHBondContact O-N 2.78Å
459N49.2Very low56.8Low141 Ų141101.6 Ų101.675%0.75463%0.628SS**  trans-66.695.9177.5-103.4-124.6000110G457 Q461G457-N459 PolarHBondContact O-N 2.86Å; N459-Q461 PolarHBondContact OD1-NE2 2.93Å; N459-Q461 PolarHBondContact OD1-OE1 2.95Å
460M51.4Low59.2Low132 Ų132101.6 Ų101.665%0.6562%0.615SS**  trans-127.568.7174.6-171.1167-79.100107.8G458 Q462 Q477G458-M460 PolarHBondContact O-N 2.78Å; M460-Q462 PolarHBondContact O-N 3.49Å; M460-Q477 VanDerWaalsContact CG-OE1 3.32Å; M460-Q477 HydrophobicContact SD-CG 4.29Å; M460-Q477 PolarHBondContact SD-OE1 2.98Å; M460-Q477 VanDerWaalsContact SD-OE1 3.35Å
461Q55.5Low60.9Low139 Ų13996.8 Ų96.865%0.6559%0.592SS**  trans-57.5103.2171.1-77.577.31.400108.7N459 R463N459-Q461 PolarHBondContact OD1-NE2 2.93Å; N459-Q461 PolarHBondContact OD1-OE1 2.95Å; Q461-R463 PolarHBondContact O-N 3.09Å
462Q59.8Low63Low118 Ų11899.9 Ų99.955%0.55160%0.6SS**  trans-49.6114.3169.5-71.2169.3-10.900107.9M460 E468M460-Q462 PolarHBondContact O-N 3.49Å; Q462-E468 PolarHBondContact NE2-OE1 2.94Å
463R64.1Low64.6Low206 Ų20692.1 Ų92.178%0.77759%0.594SS**  trans-72.6133.9-179.6-155.8176.7-167.8164.24.5107.8Q461 G465 D466Q461-R463 PolarHBondContact O-N 3.09Å; R463-G465 PolarHBondContact O-N 3Å; R463-D466 WeakPolarHBondContact CB-OD2 3.25Å; R463-D466 WeakPolarHBondContact O-CB 3.36Å; R463-D466 PolarHBondContact O-N 3.38Å
464A65.4Low66.5Low106 Ų10689.8 Ų89.888%0.87657%0.565SS**THydrogen-bonded Turntrans-50.4112.5-171.900000112.3
465G74.2Confident68.8Low44 Ų4489.1 Ų89.145%0.45456%0.558SS.*THydrogen-bonded Turntrans109-23.4-178.400000115.6R463 A480R463-G465 PolarHBondContact O-N 3Å; G465-A480 WeakPolarHBondContact O-CA 3.43Å; G465-A480 VanDerWaalsContact O-CB 3.23Å; G465-A480 WeakPolarHBondContact O-CB 3.34Å
466D88.3Confident70.9Confident46 Ų4685 Ų8525%0.24653%0.529CS..  trans-66.4146.4173.9-67-16.6000110R463 N478 F479 A480R463-D466 WeakPolarHBondContact CB-OD2 3.25Å; R463-D466 WeakPolarHBondContact O-CB 3.36Å; R463-D466 PolarHBondContact O-N 3.38Å; D466-N478 WeakPolarHBondContact CA-O 3.48Å; D466-F479 VanDerWaalsContact OD1-CA 3.26Å; D466-F479 WeakPolarHBondContact OD1-CA 3.08Å; D466-A480 PolarHBondContact OD1-N 3.4Å
467W87.2Confident73Confident7 Ų781 Ų813%0.02750%0.5CS..EExtended strand (participates in β ladder)trans-137.5153.1-168.365.2-84000112.8N478 R482 C485 K492 P493W467-N478 HydrophobicContact CD2-CB 4.19Å; W467-N478 HydrophobicContact CZ2-CB 4.33Å; W467-N478 WeakPolarHBondContact CZ2-ND2 3.15Å; W467-N478 PolarHBondContact N-O 3.02Å; W467-N478 PolarHBondContact NE1-ND2 3.15Å; W467-N478 WeakPolarHBondContact O-CA 3.47Å; W467-N478 WeakPolarHBondContact O-CB 3.41Å; W467-N478 PolarHBondContact O-N 2.63Å; W467-R482 WeakPolarHBondContact CZ2-O 3.46Å; W467-R482 PolarHBondContact NE1-O 3.09Å; W467-C485 HydrophobicContact CH2-CB 4.01Å; W467-C485 HydrophobicContact CZ3-CB 4.43Å; W467-K492 HydrophobicContact CD2-CB 4.22Å; W467-K492 HydrophobicContact CD2-CD 4.32Å; W467-K492 HydrophobicContact CD2-CG 3.76Å; W467-K492 HydrophobicContact CE3-CG 4.31Å; W467-K492 HydrophobicContact CG-CD 4.15Å; W467-K492 HydrophobicContact CG-CG 3.98Å; W467-K492 HydrophobicContact CH2-CB 3.95Å; W467-K492 HydrophobicContact CZ2-CB 3.56Å; W467-K492 HydrophobicContact CZ2-CG 4.01Å; W467-K492 HydrophobicContact CZ3-CB 4.42Å; W467-P493 VanDerWaalsContact CE3-CD 3.41Å; W467-P493 HydrophobicContact CE3-CG 4.37Å
468E89.4Confident75Confident81 Ų8177.9 Ų77.938%0.37947%0.467SS..EExtended strand (participates in β ladder)trans-103.1137.7-173.2-43.8-163.8137.600110.6Q462 P470 Q477Q462-E468 PolarHBondContact NE2-OE1 2.94Å; E468-P470 WeakPolarHBondContact O-CD 3.03Å; E468-Q477 HydrophobicContact CG-CG 4.12Å; E468-Q477 PolarHBondContact OE1-NE2 3.37Å
469C87.6Confident77.2Confident8 Ų880.6 Ų80.65%0.05446%0.463CS..  trans-58.8123.3-179.2172.80000111.1N471 C474 N476 C485 C488C469-N471 PolarHBondContact O-N 2.81Å; C469-N471 VanDerWaalsContact O-N 3.13Å; C469-N471 WeakPolarHBondContact SG-CB 3.5Å; C469-N471 PolarHBondContact SG-N 2.79Å; C469-N471 VanDerWaalsContact SG-N 3.39Å; C469-C474 HydrophobicContact CB-CB 4.17Å; C469-N476 PolarHBondContact N-O 3.28Å; C469-C485 HydrophobicContact CB-CB 4.05Å; C469-C488 HydrophobicContact CB-CB 4.47Å; C469-C488 WeakPolarHBondContact CB-SG 3.49Å; C469-C488 WeakPolarHBondContact SG-CB 3.4Å; C469-C488 CovalentContact SG-SG 2.05Å; C469-C488 PolarHBondContact SG-SG 2.76Å
470P84.4Confident79Confident75 Ų7575.6 Ų75.649%0.48744%0.441SS..SBendtrans-72.4-4.7-177.929.9-36.2000113.7E468 P472 P493E468-P470 WeakPolarHBondContact O-CD 3.03Å; P470-P472 WeakPolarHBondContact O-CD 3.39Å; P470-P493 HydrophobicContact CG-CB 4.42Å; P470-P493 HydrophobicContact CG-CG 4.47Å
471N82.4Confident80.5Confident77 Ų7778.5 Ų78.541%0.41245%0.445SS..  trans-76.2117.1170.5-176.2-24.1000109.4C469 G473 C474 G475 C488C469-N471 PolarHBondContact O-N 2.81Å; C469-N471 VanDerWaalsContact O-N 3.13Å; C469-N471 WeakPolarHBondContact SG-CB 3.5Å; C469-N471 PolarHBondContact SG-N 2.79Å; C469-N471 VanDerWaalsContact SG-N 3.39Å; N471-G473 PolarHBondContact O-N 2.96Å; N471-G473 VanDerWaalsContact O-N 3.15Å; N471-G473 PolarHBondContact OD1-N 3.14Å; N471-C474 HydrophobicContact CB-CB 4.32Å; N471-C474 PolarHBondContact O-N 2.88Å; N471-G475 PolarHBondContact O-N 2.85Å; N471-C488 HydrophobicContact CB-CB 4.36Å
472P80.5Confident81.9Confident133 Ų13374.3 Ų74.386%0.86442%0.423SS*.THydrogen-bonded Turntrans-65.3-18-177.527.5-35.6000113.6P470 C474P470-P472 WeakPolarHBondContact O-CD 3.39Å; P472-C474 PolarHBondContact O-N 3.12Å
473G83.1Confident83.1Confident75 Ų7575.3 Ų75.377%0.77343%0.43SS*.THydrogen-bonded Turntrans-80.14.4171.500000114.7N471N471-G473 PolarHBondContact O-N 2.96Å; N471-G473 VanDerWaalsContact O-N 3.15Å; N471-G473 PolarHBondContact OD1-N 3.14Å
474C86Confident84.4Confident27 Ų2770.2 Ų70.218%0.18241%0.414CS..THydrogen-bonded Turntrans-127.1-57-175.9174.20000114.1C469 N471 P472 N476 Q487 C488C469-C474 HydrophobicContact CB-CB 4.17Å; N471-C474 HydrophobicContact CB-CB 4.32Å; N471-C474 PolarHBondContact O-N 2.88Å; P472-C474 PolarHBondContact O-N 3.12Å; C474-N476 PolarHBondContact O-N 2.9Å; C474-N476 WeakPolarHBondContact SG-CB 2.99Å; C474-Q487 PolarHBondContact SG-OE1 3.3Å; C474-C488 HydrophobicContact CB-CB 3.58Å; C474-C488 WeakPolarHBondContact SG-CB 3.01Å
475G82.1Confident85.7Confident51 Ų5165.1 Ų65.153%0.52637%0.373SS..  trans58.67-179.700000116.7N471 Q477N471-G475 PolarHBondContact O-N 2.85Å; G475-Q477 PolarHBondContact O-N 2.9Å
476N88.5Confident86.5Confident42 Ų4267.5 Ų67.523%0.22538%0.375CS..  trans-68.7123.6-174.8170.699.3000111.8C469 C474 Q487C469-N476 PolarHBondContact N-O 3.28Å; C474-N476 PolarHBondContact O-N 2.9Å; C474-N476 WeakPolarHBondContact SG-CB 2.99Å; N476-Q487 HydrophobicContact CB-CB 4.12Å
477Q89.2Confident86.4Confident64 Ų6471.4 Ų71.430%0.29939%0.392SS..EExtended strand (participates in β ladder)trans-65.2134.3166.2-63.8-162.1-18.600111.4M460 E468 G475M460-Q477 VanDerWaalsContact CG-OE1 3.32Å; M460-Q477 HydrophobicContact SD-CG 4.29Å; M460-Q477 PolarHBondContact SD-OE1 2.98Å; M460-Q477 VanDerWaalsContact SD-OE1 3.35Å; E468-Q477 HydrophobicContact CG-CG 4.12Å; E468-Q477 PolarHBondContact OE1-NE2 3.37Å; G475-Q477 PolarHBondContact O-N 2.9Å
478N85.4Confident86.5Confident4 Ų472.7 Ų72.72%0.02140%0.401CS..EExtended strand (participates in β ladder)trans-135.5139.5-169.2-166.249.8000110.5D466 W467 R482 E484 C485 N486D466-N478 WeakPolarHBondContact CA-O 3.48Å; W467-N478 HydrophobicContact CD2-CB 4.19Å; W467-N478 HydrophobicContact CZ2-CB 4.33Å; W467-N478 WeakPolarHBondContact CZ2-ND2 3.15Å; W467-N478 PolarHBondContact N-O 3.02Å; W467-N478 PolarHBondContact NE1-ND2 3.15Å; W467-N478 WeakPolarHBondContact O-CA 3.47Å; W467-N478 WeakPolarHBondContact O-CB 3.41Å; W467-N478 PolarHBondContact O-N 2.63Å; N478-R482 VanDerWaalsContact ND2-CB 3.31Å; N478-R482 WeakPolarHBondContact ND2-CB 3.25Å; N478-R482 WeakPolarHBondContact OD1-CD 3.49Å; N478-R482 PolarHBondContact OD1-NE 3.05Å; N478-E484 PolarHBondContact ND2-O 3.32Å; N478-C485 WeakPolarHBondContact ND2-CA 3.33Å; N478-N486 PolarHBondContact OD1-N 3.19Å; N478-N486 VanDerWaalsContact OD1-N 3.15Å
479F87.3Confident86.5Confident116 Ų11674.9 Ų74.951%0.50941%0.41SS..  trans-65.6147.3-170.8-60.8-66.7000113.4D466 W481 R482D466-F479 VanDerWaalsContact OD1-CA 3.26Å; D466-F479 WeakPolarHBondContact OD1-CA 3.08Å; F479-W481 HydrophobicContact CB-CG 4.44Å; F479-W481 VanDerWaalsContact CB-NE1 3.26Å; F479-W481 HydrophobicContact CD2-CZ2 4.4Å; F479-W481 AromaticContact CG-NE1 3.88Å; F479-W481 PolarHBondContact O-N 3.36Å; F479-R482 HydrophobicContact CB-CG 4.28Å; F479-R482 WeakPolarHBondContact O-CB 3.44Å; F479-R482 PolarHBondContact O-N 2.88Å
480A86.6Confident86.4Confident36 Ų3675.6 Ų75.630%0.29842%0.416SS..THydrogen-bonded Turntrans-48.5-40.4-173.300000114.9G465 D466 R482 K492G465-A480 WeakPolarHBondContact O-CA 3.43Å; G465-A480 VanDerWaalsContact O-CB 3.23Å; G465-A480 WeakPolarHBondContact O-CB 3.34Å; D466-A480 PolarHBondContact OD1-N 3.4Å; A480-R482 VanDerWaalsContact C-N 3.26Å; A480-R482 PolarHBondContact O-N 3.32Å; A480-K492 PolarHBondContact O-NZ 2.87Å
481W83.8Confident86.4Confident194 Ų19476.6 Ų76.674%0.73542%0.423SS*.THydrogen-bonded Turntrans-74.9-6-177.860.3-93.2000114.7F479F479-W481 HydrophobicContact CB-CG 4.44Å; F479-W481 VanDerWaalsContact CB-NE1 3.26Å; F479-W481 HydrophobicContact CD2-CZ2 4.4Å; F479-W481 AromaticContact CG-NE1 3.88Å; F479-W481 PolarHBondContact O-N 3.36Å
482R83.9Confident86.6Confident50 Ų5075.1 Ų75.119%0.18941%0.412CS..  trans-96.7124.8-175-61.6-175.266.61490.3110.6W467 N478 F479 A480 N486W467-R482 WeakPolarHBondContact CZ2-O 3.46Å; W467-R482 PolarHBondContact NE1-O 3.09Å; N478-R482 VanDerWaalsContact ND2-CB 3.31Å; N478-R482 WeakPolarHBondContact ND2-CB 3.25Å; N478-R482 WeakPolarHBondContact OD1-CD 3.49Å; N478-R482 PolarHBondContact OD1-NE 3.05Å; F479-R482 HydrophobicContact CB-CG 4.28Å; F479-R482 WeakPolarHBondContact O-CB 3.44Å; F479-R482 PolarHBondContact O-N 2.88Å; A480-R482 VanDerWaalsContact C-N 3.26Å; A480-R482 PolarHBondContact O-N 3.32Å; R482-N486 VanDerWaalsContact CZ-OD1 3.22Å; R482-N486 PolarHBondContact NH1-OD1 3.37Å; R482-N486 PolarHBondContact NH2-OD1 3.41Å
483M86.7Confident86.6Confident140 Ų14070.6 Ų70.669%0.6938%0.383SS*.SBendtrans-83.4-16.5175.5-59.6-56.9-67.100113.3P491 K492M483-P491 CarbonylContact O-C 2.96Å; M483-P491 WeakPolarHBondContact O-CA 3.48Å; M483-K492 PolarHBondContact O-N 3.15Å
484E90.9Very high85.9Confident98 Ų9876.7 Ų76.746%0.45839%0.391SS..BIsolated β-bridgetrans-122.1145.9174.6-65.9171.5-163.300110.4N478 K489N478-E484 PolarHBondContact ND2-O 3.32Å; E484-K489 WeakPolarHBondContact OE2-CD 3.22Å; E484-K489 IonicContact OE2-NZ 2.55Å; E484-K489 PolarHBondContact OE2-NZ 3.48Å
485C92.2Very high84.7Confident0 Ų078.6 Ų78.60%042%0.415CS..  trans-63.4137.5171.1178.90000112.3W467 C469 N478 Q487 C488 K489 A490W467-C485 HydrophobicContact CH2-CB 4.01Å; W467-C485 HydrophobicContact CZ3-CB 4.43Å; C469-C485 HydrophobicContact CB-CB 4.05Å; N478-C485 WeakPolarHBondContact ND2-CA 3.33Å; C485-Q487 PolarHBondContact O-N 3.35Å; C485-Q487 PolarHBondContact SG-N 2.85Å; C485-C488 HydrophobicContact CB-CB 4.45Å; C485-C488 WeakPolarHBondContact CB-SG 3.49Å; C485-C488 PolarHBondContact SG-N 2.98Å; C485-C488 VanDerWaalsContact SG-N 3.44Å; C485-C488 PolarHBondContact SG-SG 3.26Å; C485-K489 PolarHBondContact O-N 2.72Å; C485-A490 PolarHBondContact N-O 3.24Å
486N90.9Very high83.5Confident94 Ų9482.1 Ų82.150%0.50342%0.421SS..THydrogen-bonded Turntrans-58.7-29.6175.1-167.657.5000114.7N478 R482N478-N486 PolarHBondContact OD1-N 3.19Å; N478-N486 VanDerWaalsContact OD1-N 3.15Å; R482-N486 VanDerWaalsContact CZ-OD1 3.22Å; R482-N486 PolarHBondContact NH1-OD1 3.37Å; R482-N486 PolarHBondContact NH2-OD1 3.41Å
487Q86.6Confident81.6Confident128 Ų12882.8 Ų82.860%0.59844%0.439SS*.THydrogen-bonded Turntrans-107.5-58.3-175.9-171-173.931.200112.8C474 N476 C485 K489C474-Q487 PolarHBondContact SG-OE1 3.3Å; N476-Q487 HydrophobicContact CB-CB 4.12Å; C485-Q487 PolarHBondContact O-N 3.35Å; C485-Q487 PolarHBondContact SG-N 2.85Å; Q487-K489 PolarHBondContact O-N 2.78Å
488C89.4Confident79.7Confident34 Ų3484 Ų8423%0.2347%0.469CS..THydrogen-bonded Turntrans-82.2-9.1-173.766.60000114.9C469 N471 C474 C485 A490C469-C488 HydrophobicContact CB-CB 4.47Å; C469-C488 WeakPolarHBondContact CB-SG 3.49Å; C469-C488 WeakPolarHBondContact SG-CB 3.4Å; C469-C488 CovalentContact SG-SG 2.05Å; C469-C488 PolarHBondContact SG-SG 2.76Å; N471-C488 HydrophobicContact CB-CB 4.36Å; C474-C488 HydrophobicContact CB-CB 3.58Å; C474-C488 WeakPolarHBondContact SG-CB 3.01Å; C485-C488 HydrophobicContact CB-CB 4.45Å; C485-C488 WeakPolarHBondContact CB-SG 3.49Å; C485-C488 PolarHBondContact SG-N 2.98Å; C485-C488 VanDerWaalsContact SG-N 3.44Å; C485-C488 PolarHBondContact SG-SG 3.26Å; C488-A490 PolarHBondContact O-N 3.47Å; C488-A490 VanDerWaalsContact SG-CB 3.5Å
489K88.3Confident77.6Confident127 Ų12786.5 Ų86.555%0.55250%0.495SS*.  trans55.8-2.7-171-68.3-57-158.1164.30117.6E484 C485 Q487E484-K489 WeakPolarHBondContact OE2-CD 3.22Å; E484-K489 IonicContact OE2-NZ 2.55Å; E484-K489 PolarHBondContact OE2-NZ 3.48Å; C485-K489 PolarHBondContact O-N 2.72Å; Q487-K489 PolarHBondContact O-N 2.78Å
490A86.4Confident75.7Confident22 Ų2286 Ų8618%0.18250%0.503CS..PPolyproline II helixtrans-55.4146.6171.400000111.5C485 C488C485-A490 PolarHBondContact N-O 3.24Å; C488-A490 PolarHBondContact O-N 3.47Å; C488-A490 VanDerWaalsContact SG-CB 3.5Å
491P84.9Confident73.7Confident97 Ų9790.1 Ų90.163%0.6353%0.527SS*.BIsolated β-bridgetrans-66.2160.7177.928.9-36000112.1M483M483-P491 CarbonylContact O-C 2.96Å; M483-P491 WeakPolarHBondContact O-CA 3.48Å
492K86.4Confident71.6Confident46 Ų4690.2 Ų90.220%0.253%0.533CS..PPolyproline II helixtrans-62.9127.4170.7-173.5169.1-169.9174.70109.5W467 A480 M483 E494W467-K492 HydrophobicContact CD2-CB 4.22Å; W467-K492 HydrophobicContact CD2-CD 4.32Å; W467-K492 HydrophobicContact CD2-CG 3.76Å; W467-K492 HydrophobicContact CE3-CG 4.31Å; W467-K492 HydrophobicContact CG-CD 4.15Å; W467-K492 HydrophobicContact CG-CG 3.98Å; W467-K492 HydrophobicContact CH2-CB 3.95Å; W467-K492 HydrophobicContact CZ2-CB 3.56Å; W467-K492 HydrophobicContact CZ2-CG 4.01Å; W467-K492 HydrophobicContact CZ3-CB 4.42Å; A480-K492 PolarHBondContact O-NZ 2.87Å; M483-K492 PolarHBondContact O-N 3.15Å; K492-E494 PolarHBondContact O-N 3.5Å
493P79.1Confident69.9Low37 Ų3793 Ų9324%0.2456%0.557CS.*PPolyproline II helixtrans-67122.2179.227.2-33.8000110.4W467 P470 G495 L496W467-P493 VanDerWaalsContact CE3-CD 3.41Å; W467-P493 HydrophobicContact CE3-CG 4.37Å; P470-P493 HydrophobicContact CG-CB 4.42Å; P470-P493 HydrophobicContact CG-CG 4.47Å; P493-G495 PolarHBondContact O-N 2.92Å; P493-L496 HydrophobicContact CG-CD1 3.79Å; P493-L496 HydrophobicContact CG-CG 4.19Å
494E69.7Low68.2Low203 Ų20392.7 Ų92.795%0.94957%0.566SS**THydrogen-bonded Turntrans-66.9112.9176.9-63.1176.8169.400109K492K492-E494 PolarHBondContact O-N 3.5Å
495G60.9Low66.1Low67 Ų6791.7 Ų91.769%0.69158%0.582SS**THydrogen-bonded Turntrans134.8-31.4-177.800000114.8P493 G497P493-G495 PolarHBondContact O-N 2.92Å; G495-G497 PolarHBondContact O-N 3.19Å; G495-G497 VanDerWaalsContact O-N 3.14Å
496L56.6Low63.5Low125 Ų12595.2 Ų95.265%0.65462%0.618SS**SBendtrans-76.45.6176.7-63.5-174000114P493P493-L496 HydrophobicContact CG-CD1 3.79Å; P493-L496 HydrophobicContact CG-CG 4.19Å
497G47.7Very low61.5Low57 Ų57100.1 Ų100.159%0.58864%0.638SS**SBendtrans-124.457177.300000111.6G495 G499G495-G497 PolarHBondContact O-N 3.19Å; G495-G497 VanDerWaalsContact O-N 3.14Å; G497-G499 VanDerWaalsContact C-N 3.27Å; G497-G499 PolarHBondContact O-N 3.22Å
498G48.9Very low59.4Low90 Ų90105.5 Ų105.593%0.92865%0.653SS**  trans-6872.7-177.500000114.6
499G43.3Very low56.9Low55 Ų55106.9 Ų106.957%0.56767%0.673SS**SBendtrans-130.7141.4163.100000109.2G497G497-G499 VanDerWaalsContact C-N 3.27Å; G497-G499 PolarHBondContact O-N 3.22Å
500P45.7Very low54.6Low105 Ų105112.6 Ų112.668%0.68269%0.691SS**PPolyproline II helixtrans-65.3149.1-174.327.5-35.1000111.7F502P500-F502 PolarHBondContact O-N 2.95Å
501P46.1Very low52.4Low123 Ų123115.5 Ų115.580%0.79972%0.724SS**PPolyproline II helixtrans-64.6122.4174.727.8-33.7000109.7P503P501-P503 WeakPolarHBondContact O-CD 3.43Å
502F39.5Very low50.2Low197 Ų197114.2 Ų114.286%0.86473%0.728SS**PPolyproline II helixtrans-71.3120.2168.1-71.7-87.3000108.5P500P500-F502 PolarHBondContact O-N 2.95Å
503P47.1Very low48.5Very low107 Ų107118.5 Ų118.570%0.69576%0.761SS**PPolyproline II helixtrans-69.2153.4174.630.1-34.7000110.7P501 G505P501-P503 WeakPolarHBondContact O-CD 3.43Å; P503-G505 PolarHBondContact O-N 3.43Å
504P52.3Low46.6Very low134 Ų134120.1 Ų120.187%0.8778%0.784SS**SBendtrans-74.4122.6-179.330-33.9000111.4
505G47Very low45.4Very low77 Ų77118.6 Ų118.679%0.79478%0.779SS**  trans84.5131.517500000114.4P503P503-G505 PolarHBondContact O-N 3.43Å
506G36.2Very low44.4Very low75 Ų75126.5 Ų126.577%0.77379%0.788SS**  trans157.5108.4175.900000112.2
507E50.1Low43.5Very low196 Ų196124.4 Ų124.492%0.91680%0.797SS**  trans-72.5130.2-175.1-62.8141.6112.100112.3
508R40.8Very low43.2Very low241 Ų241125.3 Ų125.391%0.90981%0.806SS**  trans-157.199.4164.3-151.8172.9-61169.64.4109.2
509G37.6Very low43Very low64 Ų64133.3 Ų133.366%0.6681%0.808SS**  cis89.4100.115.700000110.5
510R41.1Very low42.6Very low246 Ų246133.7 Ų133.793%0.92881%0.812SS**  trans54.4110.8164.6-163.2174.9-65.8-175.50.6116.7
511G40.2Very low42.6Very low84 Ų84136.8 Ų136.887%0.86682%0.819SS**  trans-58.7138.2167.500000112
512G37.9Very low42.3Very low70 Ų70138 Ų13872%0.72282%0.819SS**  trans-154.8158.8-178.700000110.7
513P51.3Low42.4Very low136 Ų136140.2 Ų140.288%0.88382%0.822SS**  trans-119.3154.1-138.938.9-29.5000116.2
514G37.8Very low41.7Very low70 Ų70138.7 Ų138.772%0.72283%0.825SS**  trans102.4170.5151.500000116.8
515M45.1Very low41Very low172 Ų172136 Ų13685%0.84782%0.821SS**  trans65.5145-173.9-51.2-61-17700116.1
516R39.8Very low41.1Very low232 Ų232138.9 Ų138.988%0.87583%0.826SS**  cis-178.7121.5-38.4161.7177.8-75.4-172.9-3.2105.2
517G38.5Very low41.1Very low82 Ų82139.9 Ų139.985%0.84583%0.827SS**  trans-174.768.7-177.900000113.1
518G41.6Very low40.4Very low75 Ų75134 Ų13477%0.77382%0.819SS**  trans-89.9148.2-168.400000116
519R43.1Very low40.2Very low258 Ų258129.3 Ų129.397%0.97482%0.817SS**  trans-166.7131.6157.9-95.7178.9-75.7-163.1-2104.8
520G35.2Very low39.9Very low63 Ų63130 Ų13065%0.64982%0.824SS**  cis171.8171.4-5.400000109
521M46.3Very low39.4Very low171 Ų171121.8 Ų121.884%0.84282%0.816SS**  trans72.477.5166.3-7071.3-157.200118.6
522D40.4Very low39.9Very low147 Ų147124.4 Ų124.479%0.78682%0.818SS**  39.2114114.1-58.5-81.3000121.1
523R40.3Very low39.5Very low245 Ų245124.7 Ų124.793%0.92582%0.82SS**  trans-154.999.9137.3-167.7159.9-68.3141.14.3113.3
524G33.3Very low38.7Very low75 Ų75121.8 Ų121.877%0.77382%0.815SS**  trans39.5124.7151.500000121.8
525G36.9Very low39Very low76 Ų76125 Ų12578%0.78482%0.824SS**  trans-73.9-163.6154.600000112.8
526P49Very low38.7Very low138 Ų138120.8 Ų120.890%0.89682%0.824SS**  -138.2-175.754.341.5-25.3000116.8
527A37.6Very low38.5Very low96 Ų96112.3 Ų112.379%0.79381%0.809SS**  trans-58.9165.7-170.400000119.3V529A527-V529 HydrophobicContact CB-CG2 4.2Å
528G35.2Very low38.3Very low72 Ų72118.2 Ų118.274%0.74281%0.812SS**  trans176.366.2167.800000109.5
529V35.9Very low38Very low143 Ų143126.1 Ų126.187%0.86782%0.818SS**  63.1109.484-177.20000112.2A527A527-V529 HydrophobicContact CB-CG2 4.2Å
530G31.7Very low37.4Very low78 Ų78118 Ų11880%0.80481%0.814SS**  trans132.3104.4169.700000115
531G31.1Very low37.3Very low75 Ų75118.8 Ų118.877%0.77382%0.823SS**  trans-103.7-154.8148.600000108.9
532P49.3Very low37Very low139 Ų139123.7 Ų123.790%0.90383%0.832SS**  cis-124.2-179-941.1-27.2000112.4
533G30Very low36.8Very low75 Ų75120.3 Ų120.377%0.77383%0.832SS**  trans145.3112.2160.300000116.6
534G33.7Very low36.5Very low75 Ų75112.9 Ų112.977%0.77383%0.831SS**  trans-98.1-165.514200000109.4
535P45.5Very low36.8Very low139 Ų139115.9 Ų115.990%0.90383%0.83SS**  cis-128.817210.341.2-26.7000115.1
536G38.4Very low36.9Very low83 Ų83123.6 Ų123.686%0.85684%0.835SS**  trans124.8136.2166.800000113.8
537G36.2Very low36.2Very low54 Ų54120.6 Ų120.656%0.55783%0.83SS**  cis16272-5.200000114.8
538F33.9Very low36Very low205 Ų205119.8 Ų119.890%0.89983%0.831SS**  trans66.9150.1169.7-29.8-80.8000114.2
539R35.1Very low36.2Very low242 Ų242125.8 Ų125.891%0.91384%0.837SS**  cis-151.5150.316.1-62.5174178.2-167-1.9111.6
540G30.7Very low36.4Very low86 Ų86130.4 Ų130.489%0.88784%0.838SS**  trans81.2165.2144.500000119.3
541G32.4Very low36.6Very low80 Ų80129.5 Ų129.583%0.82583%0.829SS**  trans100.579.9167.100000117
542W41.3Very low36.9Very low275 Ų275132.2 Ų132.2100%1.04282%0.816SS**  trans-76125.9153.2-9062.2000108.5
543G35.2Very low36.4Very low76 Ų76127.6 Ų127.678%0.78479%0.793SS**  trans173.164.5-177.100000113.1
544G34.5Very low36.8Very low88 Ų88125.3 Ų125.391%0.90777%0.77SS**  trans-89.8112.8179.700000112.2
545D38.7Very low37.2Very low139 Ų139125.8 Ų125.874%0.74375%0.753SS**  trans-133.3143.6-176.4-145.9-35.2000111.9
546R38.8Very low37.1Very low237 Ų237123.2 Ų123.289%0.89473%0.732SS**  trans50.7121.2179.9-68.4177.5-86.6-179.6-7.3116.8
547G34.2Very low37.1Very low76 Ų76130 Ų13078%0.78473%0.731SS**  cis134.5146.333.100000109.4
548G33.5Very low37Very low79 Ų79131.1 Ų131.181%0.81474%0.744SS**  trans-160.6117.4-179.700000111.9
549F40Very low37.5Very low198 Ų198124.6 Ų124.687%0.86873%0.734SS**  trans-98.7145.3-163.2-69.9-102000114.9
550R39.7Very low37.5Very low239 Ų239123 Ų12390%0.90273%0.734SS**  trans160.1105.2144.9-91.2171-125.5-155.41.5108.2
551G36.3Very low37.6Very low59 Ų59131.4 Ų131.461%0.60874%0.739SS**  cis94.592.75.900000112.4
552R37.7Very low37.6Very low132 Ų132131.1 Ų131.150%0.49874%0.736SS.*  trans-163.8144.7163.8-111.767.5177.1162.54.6108.9P420 M421 D423P420-R552 HydrophobicContact CB-CG 4.09Å; P420-R552 HydrophobicContact CG-CG 4.02Å; P420-R552 WeakPolarHBondContact O-CG 3.17Å; M421-R552 PolarHBondContact O-NE 2.92Å; M421-R552 PolarHBondContact O-NH2 3.4Å; D423-R552 IonicContact OD2-NH2 2.75Å; D423-R552 PolarHBondContact OD2-NH2 2.9Å
553G37.9Very low37.3Very low42 Ų42123.5 Ų123.543%0.43373%0.732SS.*  trans-106.5-154175.500000112.9G418 M419 P420G418-G553 WeakPolarHBondContact O-CA 3.35Å; G418-G553 PolarHBondContact O-N 2.83Å; M419-G553 VanDerWaalsContact CG-C 3.47Å; M419-G553 VanDerWaalsContact CG-O 3.31Å; M419-G553 WeakPolarHBondContact CG-O 3.45Å; P420-G553 VanDerWaalsContact CD-N 3.31Å
554G38.3Very low37.2Very low27 Ų27123.3 Ų123.328%0.27873%0.73SS.*BIsolated β-bridgecis132.3124.43.400000115.5G417 G418 M419G417-G554 WeakPolarHBondContact O-CA 3.38Å; G418-G554 CarbonylContact C-O 3.56Å; M419-G554 WeakPolarHBondContact CB-O 3.3Å; M419-G554 VanDerWaalsContact CG-O 3.24Å; M419-G554 WeakPolarHBondContact CG-O 3.49Å; M419-G554 PolarHBondContact N-O 2.99Å
555M43.5Very low37.2Very low85 Ų85131.3 Ų131.342%0.41973%0.733SS.*  trans71.7151.7162.5-54.1173.9153.100117.1M415 M419M415-M555 HydrophobicContact CB-CE 4.13Å; M415-M555 WeakPolarHBondContact O-CE 3.31Å; M419-M555 WeakPolarHBondContact CE-O 3.44Å
556D42Very low36.8Very low85 Ų85128.5 Ų128.546%0.45574%0.736SS.*  cis-159.6177.8-11.1-126.1-113.6000112
557R39.6Very low36.5Very low225 Ų225120.7 Ų120.785%0.84973%0.73SS**  trans19.1134.6157.6-86.1162-85.8-175.6-8119.8
558G33.7Very low37.3Very low79 Ų79123.3 Ų123.381%0.81473%0.733SS**  cis126.8140.227.900000111.8
559G44.1Very low38.4Very low68 Ų68124.8 Ų124.870%0.70173%0.728SS**  trans97141.215200000120.9
560F34.6Very low38.7Very low208 Ų208124.2 Ų124.291%0.91273%0.73SS**  trans64.899.7154.5-59.9-78.4000122.1
561R34.6Very low38.6Very low262 Ų262119.7 Ų119.799%0.98972%0.724SS**  176.7156.4125.5-92.6165.5-149.4-129.36.7107.3
562G30.7Very low38.7Very low74 Ų74127.1 Ų127.176%0.76373%0.734SS**  cis165.8139.9-100000108.3
563A35.3Very low38.6Very low116 Ų116129 Ų12996%0.95975%0.75SS**  trans-72.4162.6-166.200000115.9
564G33.8Very low38.4Very low71 Ų71130.9 Ų130.973%0.73277%0.769SS**  trans158.3130.9148.500000119.3
565R34.4Very low38.4Very low257 Ų257133.5 Ų133.597%0.9780%0.796SS**  trans75.4130.5164.5-53.1-179.7-176.2-107.6-0.6116.9
566G30.6Very low38.2Very low79 Ų79141.9 Ų141.981%0.81482%0.823SS**  cis-166.1165.6-3.300000113.5
567G32.7Very low37.9Very low74 Ų74141.4 Ų141.476%0.76384%0.839SS**  trans-87.4-153-178.900000114.4
568P51.1Low37.8Very low131 Ų131134.2 Ų134.285%0.85184%0.835SS**  cis-134.2-139.644.743.7-23.3000113.4
569P56.8Low38.1Very low110 Ų110143 Ų14371%0.71484%0.843SS**  -123.5172.8-127.836.4-14.6000116.8
570M44.7Very low37.5Very low186 Ų186143.5 Ų143.592%0.91685%0.848SS**  trans-156.3154.3156.3-106.9-63-177.400110.1
571D39.3Very low38.3Very low144 Ų144143.5 Ų143.577%0.7785%0.854SS**  trans-111.9167.4-162.1-71.4-90.1000115.6
572R37.2Very low38.5Very low214 Ų214134 Ų13481%0.80884%0.838SS**  trans90.2124138.9-134.7-179.8-162.6174.84.8119.9
573M36.5Very low39.3Very low172 Ų172136.5 Ų136.585%0.84784%0.84SS**  trans63.4143.3160.3-69.7152.9173.700117.2
574G32.9Very low40.1Very low81 Ų81137.5 Ų137.584%0.83584%0.837SS**  cis167.8123.6-8.600000110.8
575G38.9Very low40.4Very low82 Ų82137.7 Ų137.785%0.84584%0.839SS**  trans-160.3101.7-174.100000113.7
576R39Very low40.6Very low261 Ų261128.6 Ų128.699%0.98583%0.825SS**  trans-77.2124.6177.1173.9-161.4-80.8-163.9-4.5110.4
577G34.8Very low41.3Very low76 Ų76134.7 Ų134.778%0.78483%0.829SS**  trans-178.9128.2165.700000110.8
578G39.3Very low41.9Very low73 Ų73139.9 Ų139.975%0.75384%0.836SS**  trans-155.3158.6-174.400000114.8
579R38.4Very low41.7Very low263 Ų263139.1 Ų139.199%0.99283%0.825SS**  trans69.8108.9175.2-50.7-174.8-169-144.42.7115.9
580G32.7Very low41.3Very low79 Ų79142.9 Ų142.981%0.81484%0.835SS**  trans-163.495.4160.700000109
581M50.2Low41.6Very low209 Ų209142.6 Ų142.6100%1.0382%0.823SS**  trans-78.3124.1169.9-97.3-173167.500108.9
582G38.8Very low41.9Very low63 Ų63139.9 Ų139.965%0.64981%0.809SS**  trans-111.2152.6166.500000110.6
583P48.1Very low42.5Very low126 Ų126137.4 Ų137.482%0.81881%0.806SS**  trans-72153.9-174.129.4-35.6000113.2
584P52.6Low43.2Very low137 Ų137139.6 Ų139.689%0.8981%0.805SS**  trans-79.8119.9-178.631.5-33.8000112.2
585G38.8Very low44.2Very low75 Ų75140.9 Ų140.977%0.77379%0.789SS**  trans-168.7160.1174.100000113
586G38.4Very low44.5Very low65 Ų65144 Ų14467%0.6778%0.782SS**  trans8460.9168.700000116.6M588G586-M588 VanDerWaalsContact C-N 3.31Å; G586-M588 PolarHBondContact O-N 2.99Å
587K45.5Very low45Very low208 Ų208142.6 Ų142.690%0.90478%0.776SS**  trans-67.688.7159.542.6171.9174.2177.20109.7D589K587-D589 PolarHBondContact O-N 2.55Å
588M45.6Very low45.8Very low183 Ų183149.3 Ų149.390%0.90178%0.778SS**  trans-67.4124177-74.6-179.1-83.400110.6G586G586-M588 VanDerWaalsContact C-N 3.31Å; G586-M588 PolarHBondContact O-N 2.99Å
589D47.5Very low46.1Very low115 Ų115152.4 Ų152.462%0.61578%0.778SS**  trans-71.4140.2-179-92.1-65.5000111.6K587 R591K587-D589 PolarHBondContact O-N 2.55Å; D589-R591 HydrophobicContact CB-CB 4.31Å; D589-R591 PolarHBondContact O-N 2.78Å
590M48Very low46.6Very low189 Ų189150.8 Ų150.893%0.93177%0.772SS**THydrogen-bonded Turntrans-73.929.6-178.5-155.6172.1-72.200113.2
591R51.5Low47.9Very low179 Ų179153 Ų15368%0.67577%0.772SS**THydrogen-bonded Turntrans-107.3-25.5-167.7-163.3176.5-66.1-1683.3112.8D589 Q595D589-R591 HydrophobicContact CB-CB 4.31Å; D589-R591 PolarHBondContact O-N 2.78Å; R591-Q595 PolarHBondContact O-NE2 2.82Å; R591-Q595 VanDerWaalsContact O-NE2 3.14Å
592D45.2Very low47.7Very low88 Ų88157.6 Ų157.647%0.47178%0.78SS.*G310 helixtrans-85.6-32.6-172.2-58.3-46000113.7R594 Q595 E596D592-R594 PolarHBondContact O-N 3.47Å; D592-Q595 PolarHBondContact O-N 3.45Å; D592-Q595 PolarHBondContact OD1-NE2 3.3Å; D592-E596 PolarHBondContact O-N 3.38Å
593H49.7Very low48.2Very low161 Ų161162.4 Ų162.475%0.74579%0.786SS**G310 helixtrans-59-9.1169.2-72.916.5000114.3E596H593-E596 IonicContact ND1-OE2 3.21Å
594R51.3Low48.2Very low219 Ų219164.3 Ų164.383%0.82679%0.785SS**G310 helixtrans-94-14.6173.8-154.6176.7-164.4174.87.8113.5D592D592-R594 PolarHBondContact O-N 3.47Å
595Q54.6Low47.9Very low107 Ų107165.8 Ų165.850%0.578%0.779SS.*THydrogen-bonded Turntrans-93.2-49.3-178.3-69.9166.491.700110.1R591 D592 R597 R598R591-Q595 PolarHBondContact O-NE2 2.82Å; R591-Q595 VanDerWaalsContact O-NE2 3.14Å; D592-Q595 PolarHBondContact O-N 3.45Å; D592-Q595 PolarHBondContact OD1-NE2 3.3Å; Q595-R597 PolarHBondContact O-N 3.15Å; Q595-R598 VanDerWaalsContact O-CB 3.26Å; Q595-R598 WeakPolarHBondContact O-CB 3.46Å; Q595-R598 PolarHBondContact O-N 3.18Å
596E44.2Very low48.5Very low147 Ų147171.1 Ų171.169%0.68778%0.779SS**THydrogen-bonded Turntrans-55.4-25.3-179.5-62.3176.7116.300114.9D592 H593 R598D592-E596 PolarHBondContact O-N 3.38Å; H593-E596 IonicContact ND1-OE2 3.21Å; E596-R598 PolarHBondContact O-N 3.42Å
597R49.7Very low49.1Very low232 Ų232177.8 Ų177.888%0.87579%0.786SS**THydrogen-bonded Turntrans-8111.2176.6-152.5-167.7-78-106.50.3113.5Q595Q595-R597 PolarHBondContact O-N 3.15Å
598R52.1Low49.3Very low217 Ų217175.7 Ų175.782%0.81978%0.778SS**THydrogen-bonded Turntrans-113.7-24.5-178.1-151.2170.5-166.1176.51.3114.1Q595 E596 R600Q595-R598 VanDerWaalsContact O-CB 3.26Å; Q595-R598 WeakPolarHBondContact O-CB 3.46Å; Q595-R598 PolarHBondContact O-N 3.18Å; E596-R598 PolarHBondContact O-N 3.42Å; R598-R600 PolarHBondContact O-N 2.95Å
599D44.8Very low49.6Very low139 Ų139175.2 Ų175.274%0.74377%0.769SS**  trans-103.564.7-174.7-60.6-74.3000111.2
600R48.6Very low49.8Very low229 Ų229179.8 Ų179.886%0.86478%0.781SS**  trans-134.1109.3172.1-150.2166.9-170.5131-0.8108.8R598R598-R600 PolarHBondContact O-N 2.95Å
601P60.4Low49.9Very low126 Ų126179.1 Ų179.182%0.81877%0.768SS**  trans-70.8161.5-174.329.4-35.1000112.3
602Y46.6Very low49.7Very low305 Ų305179.1 Ų179.1100%1.19678%0.777SS**  trans-95.40166-113.3-83.8000109.7

Retrieved 602 of 602 residues in 520.6 ms (Link to these results)