A0A3Q0KSZ7_SCHMA Loading...

Senescence downregulated leo1-like

AlphaFold DB , UniProt , Accession A0A3Q0KSZ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 450 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
1M43.4Very low45.3Very low141 Ų141121.9 Ų121.970%0.69568%0.677SS**  0108.30-151.6172.2-157.100105.7I248M1-I248 HydrophobicContact CE-CD1 4.37Å; M1-I248 HydrophobicContact CE-CG1 4.45Å; M1-I248 HydrophobicContact SD-CD1 3.41Å; M1-I248 WeakPolarHBondContact SD-CD1 3.49Å; M1-I248 HydrophobicContact SD-CG1 4.1Å
2V39.5Very low45.5Very low66 Ų66117.9 Ų117.940%0.468%0.684SS.*  trans-81.6126179.6-175.60000106.5D176V2-D176 WeakPolarHBondContact CG2-O 3.2Å
3L44.1Very low45.3Very low61 Ų61117.7 Ų117.732%0.31969%0.693SS.*  trans-102.499.6174-69174.4000107.5Y5L3-Y5 HydrophobicContact CB-CD2 4.37Å; L3-Y5 HydrophobicContact CB-CE2 4.12Å
4D54.3Low44.9Very low145 Ų145115.9 Ų115.978%0.77570%0.698SS**  trans-76120.6166.6-68.3-34.4000108.4
5Y52.8Low45.2Very low103 Ų103115.5 Ų115.540%0.40470%0.699SS.*  trans-101.5108.6172.4-79.7-98.9000108.1L3 S7 R250L3-Y5 HydrophobicContact CB-CD2 4.37Å; L3-Y5 HydrophobicContact CB-CE2 4.12Å; Y5-S7 PolarHBondContact O-N 3.46Å; Y5-R250 PolarHBondContact OH-NE 2.99Å; Y5-R250 PolarHBondContact OH-NH1 3.34Å; Y5-R250 PolarHBondContact OH-NH2 3.46Å
6D44.8Very low45.2Very low169 Ų169118.8 Ų118.890%0.90471%0.71SS**  trans-75.4113.2156.2-95.1-44.4000108.1
7S51.3Low44.9Very low84 Ų84115.4 Ų115.459%0.58770%0.704SS**  trans-12894.3169.661.90000108.4Y5 V9Y5-S7 PolarHBondContact O-N 3.46Å; S7-V9 PolarHBondContact O-N 2.91Å
8D42.5Very low45Very low167 Ų167119.1 Ų119.189%0.89371%0.713SS**  trans-69.1108.3162.9-85.1-34.3000108.9
9V44.5Very low45.1Very low130 Ų130120.4 Ų120.479%0.78871%0.71SS**  trans-124.994.4163.9-178.20000107S7S7-V9 PolarHBondContact O-N 2.91Å
10S40.2Very low45.3Very low127 Ų127121.7 Ų121.789%0.88871%0.711SS**  trans-81.3109.3167.759.70000109.2
11D41.4Very low45.3Very low148 Ų148123 Ų12379%0.79172%0.715SS**  trans-130.1123.7161.5-163.48.2000108.2
12G46.9Very low45.1Very low74 Ų74125.1 Ų125.176%0.76372%0.723SS**  trans-175.167.1-162.900000113.3
13S43.1Very low45.4Very low115 Ų115127.3 Ų127.380%0.80474%0.742SS**  trans-30139.9166.4-51.20000117.4
14A40Very low45.3Very low92 Ų92128.9 Ų128.976%0.7676%0.758SS**  trans-77.4-162.4179.400000114.2
15P50Low44.6Very low110 Ų110128.9 Ų128.971%0.71476%0.758SS**  cis-144-169.3-10.832.9-8.2000115.7
16I43.7Very low44.3Very low169 Ų169132.3 Ų132.387%0.86778%0.782SS**  trans95.2121.7151-73.1155.5000119.8
17G41.3Very low43.7Very low60 Ų60132.4 Ų132.462%0.61978%0.783SS**  trans135101.2132.900000117.1
18E46.1Very low43.2Very low183 Ų183133 Ų13386%0.85579%0.787SS**  trans60.9145.1141.1-61.2176.4170.900119.5
19E46.6Very low43.1Very low143 Ų143130.4 Ų130.467%0.66878%0.782SS**  cis-168.7149.8-6-106.8-162.6165.800106.4
20M49.5Very low42.9Very low147 Ų147129.5 Ų129.572%0.72478%0.781SS**  trans60.8141.4148.9-65.4177.9-172.800118.8
21D45.3Very low42.8Very low150 Ų150131.2 Ų131.280%0.80278%0.78SS**  cis-158.3151.326.2-110.7-32.3000110.9
22E39.7Very low42.6Very low185 Ų185127.9 Ų127.986%0.86478%0.78SS**  trans-74.9147.5173.9-71.9175.2104.300113.2
23S45.1Very low42.3Very low112 Ų112132.8 Ų132.878%0.78378%0.784SS**  trans-169.796.713827.60000112.4
24S42.2Very low42Very low94 Ų94133.8 Ų133.866%0.65778%0.776SS**  31.9131.3125.464.20000122
25D39.8Very low41.8Very low145 Ų145139.6 Ų139.678%0.77578%0.778SS**  trans81.5114.6140.7-54.6-27.2000118.9
26L46.4Very low41.2Very low174 Ų174139.2 Ų139.291%0.91178%0.778SS**  -178.3119.799.3-86.7170.7000111
27N32.4Very low40.9Very low172 Ų172142.7 Ų142.792%0.9278%0.78SS**  trans-89.2128176.3-15010.5000109
28S40.4Very low40.9Very low97 Ų97146.4 Ų146.468%0.67879%0.79SS**  trans-161.4118.3171.3174.70000112.2
29S40.7Very low40.6Very low112 Ų112143.1 Ų143.178%0.78378%0.783SS**  trans70.2140.4144.3-52.90000117.1
30S39.7Very low40.6Very low110 Ų110145.3 Ų145.377%0.76979%0.793SS**  cis-175.1153.28.4157.20000106.4
31D38.1Very low40.5Very low164 Ų164149.1 Ų149.188%0.87780%0.8SS**  trans-46.1151.8175.5-66.6-55.5000116.3
32G38.2Very low40.5Very low77 Ų77149.5 Ų149.579%0.79480%0.801SS**  trans172.676.1169.800000115.5
33E40.8Very low41.2Very low177 Ų177146.4 Ų146.483%0.82780%0.795SS**  trans22.9135.2146.4-64-171.9157.400123.5
34E35.7Very low41.2Very low137 Ų137150.1 Ų150.164%0.6480%0.798SS**  trans80.8127.6135.8-82.4-160.1176.300122.4
35R36.2Very low41Very low213 Ų213149.3 Ų149.380%0.80480%0.804SS**  trans80.4130.8154.5-59.7154-174.5-105.7-5.4114.8
36S38.3Very low41Very low102 Ų102148.8 Ų148.871%0.71380%0.801SS**  cis-168139.927.443.70000109.6V38S36-V38 PolarHBondContact O-N 2.96Å
37R37.1Very low40.9Very low242 Ų242148.2 Ų148.291%0.91380%0.799SS**  trans-71.8114.1165.3-80.7176.8173.8159.5-2.2108.3T39R37-T39 PolarHBondContact O-N 3.41Å; R37-T39 VanDerWaalsContact O-N 3.08Å
38V40Very low41.3Very low138 Ų138145.2 Ų145.284%0.83679%0.787SS**  trans-73.798.3170.7178.60000107.9S36S36-V38 PolarHBondContact O-N 2.96Å
39T40.8Very low41.5Very low115 Ų115148.3 Ų148.371%0.70680%0.796SS**  trans-77.2129.7164.731.40000107.9R37 R41R37-T39 PolarHBondContact O-N 3.41Å; R37-T39 VanDerWaalsContact O-N 3.08Å; T39-R41 PolarHBondContact O-N 2.76Å; T39-R41 VanDerWaalsContact O-N 3.1Å
40Q47.3Very low41.4Very low188 Ų188147.9 Ų147.988%0.87979%0.793SS**  trans-55.5114.9173.5-70.4-173.1-20.800108.9N42Q40-N42 PolarHBondContact O-N 2.8Å
41R47Very low41.7Very low228 Ų228150.4 Ų150.486%0.8680%0.798SS**  trans-78117.3172.3-78.4-178.6173.4120.6-2.3107.7T39 V43T39-R41 PolarHBondContact O-N 2.76Å; T39-R41 VanDerWaalsContact O-N 3.1Å; R41-V43 PolarHBondContact O-N 3.32Å
42N44.2Very low41.7Very low157 Ų157151.9 Ų151.984%0.8480%0.796SS**  trans-63.6117.4164-75.1-9.6000108.5Q40Q40-N42 PolarHBondContact O-N 2.8Å
43V54.5Low41.7Very low120 Ų120157 Ų15773%0.72780%0.8SS**  trans-110.255.5178.7-175.50000108.3R41R41-V43 PolarHBondContact O-N 3.32Å
44F45Very low41.5Very low191 Ų191155 Ų15584%0.83880%0.8SS**SBendtrans-145.6123.8161.8-79.8-74.7000107.6D46F44-D46 PolarHBondContact O-N 3.5Å
45G39.3Very low41.6Very low77 Ų77157.3 Ų157.379%0.79481%0.811SS**  trans-63.1125.8-176.500000110.8D47G45-D47 PolarHBondContact O-N 3.34Å
46D39.3Very low41.7Very low133 Ų133152.9 Ų152.971%0.71181%0.81SS**  trans-80.886.7169.6-175.331.5000107.7F44 T48F44-D46 PolarHBondContact O-N 3.5Å; D46-T48 PolarHBondContact O-N 3.41Å; D46-T48 WeakPolarHBondContact OD2-CG2 3.41Å
47D44.5Very low41.8Very low163 Ų163157.9 Ų157.987%0.87282%0.818SS**  trans-7387.5166.6-83.6-32.1000108G45 D49G45-D47 PolarHBondContact O-N 3.34Å; D47-D49 PolarHBondContact O-N 2.77Å
48T40.7Very low41.8Very low109 Ų109155 Ų15567%0.66982%0.815SS**  trans-80.489.7172.730.10000109.6D46 S50D46-T48 PolarHBondContact O-N 3.41Å; D46-T48 WeakPolarHBondContact OD2-CG2 3.41Å; T48-S50 PolarHBondContact O-N 2.87Å
49D44.3Very low41.8Very low161 Ų161159.4 Ų159.486%0.86182%0.817SS**  trans-74.5117.1161.5-99.1-31.9000109.8D47 D51D47-D49 PolarHBondContact O-N 2.77Å; D49-D51 PolarHBondContact O-N 2.79Å
50S39Very low42Very low104 Ų104162.7 Ų162.773%0.72782%0.824SS**  trans-88.990-174-164.30000110.2T48T48-S50 PolarHBondContact O-N 2.87Å
51D45.5Very low41.6Very low162 Ų162159.8 Ų159.887%0.86682%0.821SS**  trans-97.9114166.6-81.8-32.2000111.4D49 E53D49-D51 PolarHBondContact O-N 2.79Å; D51-E53 PolarHBondContact O-N 3.34Å
52K37.8Very low41.1Very low195 Ų195160.4 Ų160.485%0.84882%0.824SS**  trans-74.2112.3174.6-68.1168.4178.8167.10109
53E38.2Very low40.8Very low185 Ų185160.7 Ų160.786%0.86482%0.824SS**  trans-139.4119.2153-102.3-174171.500113.2D51D51-E53 PolarHBondContact O-N 3.34Å
54T36.4Very low40Very low135 Ų135163.4 Ų163.483%0.82883%0.829SS**  trans-22.7123.1165.327.90000118.1
55Q37.7Very low39.8Very low185 Ų185163 Ų16386%0.86483%0.83SS**PPolyproline II helixtrans-77.3137163-68.9-150.52.100112.7
56P39.4Very low39.6Very low121 Ų121167.3 Ų167.379%0.78683%0.834SS**PPolyproline II helixtrans-90.6133.4156.531.8-23.8000110.8
57K39.9Very low39.6Very low206 Ų206166.7 Ų166.790%0.89684%0.841SS**PPolyproline II helixtrans-62.8126.7-177-68173.2176.3174.80112.7R59K57-R59 PolarHBondContact O-N 2.74Å
58H36.6Very low39.1Very low182 Ų182167.2 Ų167.284%0.84384%0.835SS**PPolyproline II helixtrans-74.7116.5168.2-149.2-33.2000110.2
59R41.6Very low39.1Very low231 Ų231171.1 Ų171.187%0.87285%0.846SS**PPolyproline II helixtrans-96.7137.6160.5-89.4176.980-151.95.8108.9K57K57-R59 PolarHBondContact O-N 2.74Å
60Q43.3Very low38.7Very low184 Ų184171 Ų17186%0.8684%0.84SS**PPolyproline II helixtrans-68.5149178.3-62.3-174.3-21.500112
61P39.1Very low38.7Very low126 Ų126171.5 Ų171.582%0.81884%0.844SS**PPolyproline II helixtrans-89.4132.3163.933.7-25.8000109.9
62R37.3Very low38.2Very low242 Ų242170.8 Ų170.891%0.91384%0.84SS**PPolyproline II helixtrans-99.8128.6171-154.8176.7-174164.30.3107.7
63L36.8Very low38.3Very low162 Ų162170.3 Ų170.385%0.84884%0.84SS**PPolyproline II helixtrans-49.4136.3172.7-67.2139.8000111.9
64E39.4Very low38.2Very low177 Ų177170.2 Ų170.283%0.82784%0.84SS**  trans-169.5112.2141.7-105.6163.5-147.500112
65Q40.4Very low38.3Very low184 Ų184170 Ų17086%0.8683%0.834SS**  trans57.8117.8137.6-72.2176.4-16.900122.4
66D35Very low38.4Very low166 Ų166168.7 Ų168.789%0.88883%0.828SS**  trans-42.9129.7158.9-64.7-47.8000114
67S39.9Very low38.2Very low121 Ų121170.3 Ų170.385%0.84683%0.829SS**  trans-160.7124.2132.641.30000110.3
68F33.8Very low38.1Very low173 Ų173167.6 Ų167.676%0.75982%0.824SS**  trans-69.7130.6176.9179.9-90.9000109.9
69E40.8Very low38.1Very low192 Ų192166.7 Ų166.790%0.89783%0.826SS**  trans-163.6132.4143.7-110.8169.2-164.800112.1
70E35.3Very low37.9Very low157 Ų157162.5 Ų162.573%0.73482%0.82SS**  trans-87.6130.4-171.6-176.5178.8-17300109.4
71S38.2Very low37.7Very low115 Ų115158.6 Ų158.680%0.80482%0.82SS**  trans-164.6113.8152.443.70000112.1
72D36.4Very low37.8Very low147 Ų147161 Ų16179%0.78683%0.825SS**  trans-60.1135.9163.4-72.7-46.2000111.3
73H38.9Very low37.8Very low185 Ų185156.9 Ų156.986%0.85682%0.816SS**  trans-155102.3147.1-99.8-60.2000110.7
74E36.5Very low37.9Very low183 Ų183156.8 Ų156.886%0.85581%0.811SS**  trans-63.5136.3158.6-64.4-175143.500110.1
75N37.2Very low37.7Very low131 Ų131157.3 Ų157.370%0.70181%0.814SS**  trans-160.2113147.5-101.8-29.4000112.3
76Q40.4Very low37.6Very low158 Ų158157.5 Ų157.574%0.73882%0.815SS**  trans63.1104130.3-65.5173.943.400119.4
77L36Very low37.8Very low155 Ų155155.7 Ų155.781%0.81281%0.81SS**  44.9114.6117.3-64.7165.1000117.8
78N36.6Very low37.8Very low148 Ų148158.1 Ų158.179%0.79181%0.808SS**  -170.5103.9121.6-96-22.2000110.7
79D37.3Very low38.2Very low163 Ų163157.7 Ų157.787%0.87281%0.813SS**  trans-72.2121.1156.9-78.6-39.3000108.6
80N38.1Very low38.2Very low143 Ų143155.7 Ų155.777%0.76581%0.809SS**  trans-131.5114.8158.9-88.5-54.9000108.7
81A38.4Very low38.5Very low103 Ų103154 Ų15485%0.85182%0.815SS**  trans-57.1131.9169.600000110.9
82L40.7Very low38.7Very low175 Ų175156.7 Ų156.792%0.91682%0.82SS**  trans-124.9107.4162.2-100.4157.4000108.2
83E38.6Very low38.9Very low156 Ų156157.4 Ų157.473%0.72982%0.823SS**  trans-68.6155.2166.9-132.5173.7-155.400110.2
84Q37.1Very low39Very low161 Ų161152.6 Ų152.675%0.75281%0.811SS**  trans80.9104.6158.8-56164.442.100117.9
85Q36.6Very low39.1Very low187 Ų187152.2 Ų152.287%0.87481%0.808SS**  -168.9111.8111.9-105.6170.91700110.9
86E36.8Very low39.1Very low189 Ų189151.2 Ų151.288%0.88381%0.812SS**  trans-69.6131.9161.9-64.8170.5153.400108.5
87T41.1Very low39.1Very low127 Ų127153.2 Ų153.278%0.77982%0.821SS**  trans-131.2102.9161.254.20000108.4
88E39.3Very low39Very low173 Ų173150.9 Ų150.981%0.80882%0.818SS**  trans-59.5135.7164.1-60.3175.3148.700109.6
89N41.3Very low39Very low164 Ų164149.2 Ų149.288%0.87782%0.818SS**  trans-133.499.5162.2-103.5-21.4000107.8
90D40.6Very low39.1Very low150 Ų150150.2 Ų150.280%0.80282%0.822SS**  trans-59.2135.2161.4-81.5-47.3000110.6
91S43.1Very low39.4Very low122 Ų122153 Ų15385%0.85383%0.828SS**  trans-162.7108147.4-78.70000110.7
92D42.6Very low39.6Very low170 Ų170158.2 Ų158.291%0.90983%0.831SS**  trans-19.3126.6161.7-71.1-43.8000116.9
93N39.6Very low39.4Very low162 Ų162161.3 Ų161.387%0.86683%0.83SS**  -149.6136.3128.4-150.1-0.6000112.5
94S41Very low39.6Very low84 Ų84162 Ų16259%0.58784%0.838SS**  trans-92.9158.7-160.8600000114.1
95H39Very low39.8Very low175 Ų175163 Ų16381%0.8184%0.843SS**  trans101.7118.7149.3-74.813.8000119.8
96S37.4Very low40Very low111 Ų111159.3 Ų159.378%0.77684%0.838SS**  trans88.868.5140.968.40000119.5
97Q39.6Very low40.3Very low200 Ų200158.7 Ų158.794%0.93584%0.839SS**  trans-128.679.8151.2-81.8-90.8-19.900108.3
98S33.9Very low40.2Very low106 Ų106163.8 Ų163.874%0.74184%0.844SS**  trans-153.4141.5161.475.20000108.1
99S37.3Very low40.3Very low112 Ų112161 Ų16178%0.78384%0.843SS**  trans88.785.3-175.3-340000113.7
100L39.8Very low40.3Very low184 Ų184159.2 Ų159.296%0.96384%0.844SS**  trans-170.755.2139.9-94.3160.1000109
101K42.6Very low40.3Very low203 Ų203157.9 Ų157.988%0.88385%0.846SS**  trans-119.1109.9155.6-78.2-175.6177.9179.20105.8
102K43.2Very low40.3Very low211 Ų211157.7 Ų157.792%0.91785%0.845SS**  trans135.181.1168.9-77.7171-172.5-1750111
103R36.9Very low40.3Very low241 Ų241155 Ų15591%0.90984%0.839SS**  trans-164.970140.8-136.1155.470.1178.12.3111.7
104L43.1Very low41.2Very low169 Ų169153.2 Ų153.289%0.88584%0.836SS**  trans-90.9142.3148.6-86.3146.7000106.4
105Q41.9Very low41.3Very low182 Ų182156.7 Ų156.785%0.8585%0.848SS**  trans103.7133.1177.7-57.8173.6800115.3
106S39.5Very low41.8Very low111 Ų111156.4 Ų156.478%0.77685%0.853SS**  trans82.580.5178.889.20000116.5
107I43.1Very low42.1Very low175 Ų175157.7 Ų157.790%0.89785%0.851SS**  -151.196.9115.6-35.1176.6000108
108R40.5Very low42.5Very low234 Ų234151.8 Ų151.888%0.88384%0.844SS**  trans-93.8150.5158.4-86.9179.1164.7-164.8-4.5106.6
109S40.4Very low43.1Very low115 Ų115151.5 Ų151.580%0.80484%0.842SS**  trans98.292.4160.9-28.40000116.5
110S41.8Very low43.7Very low126 Ų126158.2 Ų158.288%0.88185%0.85SS**  trans-17486.5131.855.20000109.9
111S40Very low44.1Very low122 Ų122158.7 Ų158.785%0.85385%0.848SS**  trans-91.6130164.552.60000109.1
112S43.8Very low44.3Very low119 Ų119156.4 Ų156.483%0.83285%0.845SS**  trans-140.899.8166.258.10000109.9
113S42.2Very low44.4Very low113 Ų113153.4 Ų153.479%0.7984%0.839SS**PPolyproline II helixtrans-100.8145.6162.8-60.10000108.8
114P57.4Low44.8Very low124 Ų124145.2 Ų145.281%0.80583%0.829SS**PPolyproline II helixtrans-103.7137.5159.627-12.7000111.7
115N43.6Very low44.8Very low157 Ų157142.6 Ų142.684%0.8483%0.826SS**PPolyproline II helixtrans-60149.2-179.4-52.2-54.4000113.7
116N49.5Very low44.7Very low169 Ų169143.1 Ų143.190%0.90483%0.828SS**  trans-142.4126.5135.9-154.516000110.7
117D43.9Very low45.2Very low138 Ų138144.7 Ų144.774%0.73883%0.833SS**  trans-95.9145.4-172.7166.224.9000109.2
118G49Very low45.2Very low77 Ų77140 Ų14079%0.79483%0.827SS**  trans-178.362.8-17700000112.4
119S45.3Very low45.3Very low100 Ų100135.9 Ų135.970%0.69982%0.823SS**  trans-64.5131.3173.154.50000113.7
120R51.2Low45.4Very low252 Ų252137.9 Ų137.995%0.95182%0.824SS**  trans-145.5128.9148.3-80.3-166169.9171.8-4.3111
121Q46.7Very low45.3Very low194 Ų194135 Ų13591%0.90782%0.815SS**  trans-96.4143175.4-65.9168.5-29.600109.5
122D47Very low45.4Very low155 Ų155134.3 Ų134.383%0.82981%0.81SS**  trans-178.8110.7138.7-128.84.7000108.3
123D45.6Very low45.4Very low149 Ų149136.5 Ų136.580%0.79781%0.807SS**  78.899.3101.5-166.424.3000113
124G45.6Very low45.7Very low68 Ų68139.4 Ų139.470%0.70181%0.813SS**  99.8131.19900000108.6
125S43.3Very low45.1Very low115 Ų115139.4 Ų139.480%0.80481%0.806SS**  cis-167.5142.525.4480000108.7
126E39.6Very low45.2Very low193 Ų193138.9 Ų138.990%0.90280%0.803SS**  trans-76.8141165.4-69.9172101.700111.4
127T48.9Very low45.2Very low144 Ų144139.9 Ų139.988%0.88381%0.805SS**  trans175.2136.9152.539.40000105.8
128G43Very low45.3Very low75 Ų75137.8 Ų137.877%0.77381%0.806SS**  cis170.4129.56.200000105
129D43Very low45.1Very low148 Ų148141.4 Ų141.479%0.79181%0.808SS**  trans-55.7140.4167.2177.127.2000110.9
130N42.7Very low45.1Very low157 Ų157140.7 Ų140.784%0.8480%0.803SS**  trans179.6105.6150.8-90.1-33.4000111.4
131G39.5Very low44.7Very low66 Ų66134.8 Ų134.868%0.6879%0.79SS**  trans-88.2140.9156.900000111.5
132S42.9Very low44.7Very low107 Ų107132.3 Ų132.375%0.74878%0.783SS**  trans161.4115.4150.1440000108
133Q43.7Very low44.8Very low166 Ų166132.8 Ų132.878%0.77679%0.785SS**  83.2114104-168168.438.700111.8
134L48.8Very low44.9Very low173 Ų173134.7 Ų134.791%0.90679%0.789SS**  trans-175.3115137.6-95.6157.9000110
135D44Very low44.9Very low124 Ų124134.7 Ų134.766%0.66379%0.789SS**  trans-71.7164.8172.6-61.7-66.8000112.9
136D46.9Very low44.9Very low147 Ų147138.2 Ų138.279%0.78679%0.793SS**  trans63118.5147-67.7-33.2000119.6
137M48.1Very low45.3Very low190 Ų190140.2 Ų140.294%0.93679%0.792SS**  -176.7120.6112.1-85.6-99.2165.200110.2
138A46.8Very low44.9Very low93 Ų93138.9 Ų138.977%0.76979%0.789SS**  trans-71.2162.3175.900000113
139N45.1Very low44.7Very low154 Ų154142.9 Ų142.982%0.82479%0.793SS**  116.5120125.5-15028.2000117.5
140S44Very low44.8Very low84 Ų84139.8 Ų139.859%0.58779%0.788SS**  trans88.3119.1132.9-167.40000120.4
141N43.3Very low44.8Very low128 Ų128140.8 Ų140.868%0.68479%0.787SS**  trans101.4104.7134.9-8323.3000120.1
142D47.8Very low45.2Very low142 Ų142144.7 Ų144.776%0.75979%0.793SS**  51.9108.6111.6-58.9-18.1000117.8
143N47.6Very low45.5Very low165 Ų165146.3 Ų146.388%0.88280%0.797SS**  -158.3136.2121.4-155.112.9000112.6
144E48.3Very low45.9Very low189 Ų189146.2 Ų146.288%0.88380%0.797SS**  trans-71.4158.9-178.2-55.5-168.4131.600114
145G46Very low45.8Very low68 Ų68144.4 Ų144.470%0.70179%0.788SS**  trans156.7116.3152.100000116.5
146H43.6Very low46Very low190 Ų190146 Ų14688%0.8880%0.797SS**  trans76.893.9168.7-68.3-64.3000116.8
147R47Very low46Very low234 Ų234142 Ų14288%0.88378%0.78SS**  57.2110.259.9-64.2-167.2173.7-146.3-1.2115.4
148S41Very low46Very low116 Ų116137.2 Ų137.281%0.81177%0.771SS**  trans6898.9149.962.60000119.5
149N38.7Very low46.4Very low160 Ų160141.3 Ų141.386%0.85677%0.774SS**  -149.8106.7117.8-13930.2000108.8
150A45.2Very low47.3Very low83 Ų83142.1 Ų142.169%0.68677%0.773SS**  trans-84.1152.5159.700000106.7
151E43.3Very low48.2Very low178 Ų178143.7 Ų143.783%0.83278%0.781SS**SBendtrans93.170.7-175-52.7175.9-168.200113.6
152D47.2Very low49.1Very low148 Ų148145.2 Ų145.279%0.79179%0.789SS**  trans171.482.2143.9-93.1-21.4000107.8
153V48.5Very low50.2Low140 Ų140145.2 Ų145.285%0.84879%0.785SS**  trans-123.490.3154.2-176.50000104.4D155V153-D155 PolarHBondContact O-N 3.38Å
154E52.5Low51.4Low165 Ų165143.7 Ų143.777%0.77178%0.781SS**  trans-45.8132.7170.5-65.8175.8145.700109.4D156E154-D156 PolarHBondContact O-N 3.35Å
155D46.7Very low52.3Low135 Ų135144.4 Ų144.472%0.72278%0.776SS**  trans-1095.6157.1-166.445.9000113.3V153 S157V153-D155 PolarHBondContact O-N 3.38Å; D155-S157 PolarHBondContact O-N 3.44Å; D155-S157 PolarHBondContact O-OG 2.8Å; D155-S157 WeakPolarHBondContact OD2-CB 3.23Å; D155-S157 PolarHBondContact OD2-OG 3.39Å
156D47.8Very low53.5Low157 Ų157148 Ų14884%0.8478%0.777SS**  trans-66.365.5156.8-109.9-27.4000106.7E154 A158E154-D156 PolarHBondContact O-N 3.35Å; D156-A158 PolarHBondContact O-N 2.91Å
157S47.7Very low54.5Low63 Ų63144.6 Ų144.644%0.44178%0.775SS.*  trans-65.191.9160.215.30000104.9D155 H159D155-S157 PolarHBondContact O-N 3.44Å; D155-S157 PolarHBondContact O-OG 2.8Å; D155-S157 WeakPolarHBondContact OD2-CB 3.23Å; D155-S157 PolarHBondContact OD2-OG 3.39Å; S157-H159 PolarHBondContact O-N 2.8Å; S157-H159 PolarHBondContact O-ND1 3.36Å
158A48.7Very low55.3Low90 Ų90136.2 Ų136.274%0.74475%0.75SS**  trans-39.5104.317400000109.1D156 E160D156-A158 PolarHBondContact O-N 2.91Å; A158-E160 VanDerWaalsContact C-N 3.29Å; A158-E160 PolarHBondContact O-N 3.47Å
159H55.2Low56.4Low178 Ų178138.5 Ų138.582%0.82475%0.753SS**  trans-64.798.1170.3-69.654000105.3S157S157-H159 PolarHBondContact O-N 2.8Å; S157-H159 PolarHBondContact O-ND1 3.36Å
160E62.4Low57.6Low171 Ų171134.9 Ų134.980%0.79973%0.73SS**  trans-55.3128.9166.3-75.2-169.4155.800107A158 D162A158-E160 VanDerWaalsContact C-N 3.29Å; A158-E160 PolarHBondContact O-N 3.47Å; E160-D162 PolarHBondContact O-N 2.72Å
161P63Low58.5Low117 Ų117134.5 Ų134.576%0.7672%0.72SS**  trans-58.9126.1-176.924.3-33.1000109.2E163P161-E163 PolarHBondContact O-N 3.5Å
162D62.2Low59.5Low160 Ų160131.3 Ų131.386%0.85671%0.708SS**  trans-52.1107178.9-70.6-42.9000110.3E160 T164E160-D162 PolarHBondContact O-N 2.72Å; D162-T164 PolarHBondContact O-N 3.38Å
163E71.5Confident60.4Low143 Ų143127.4 Ų127.467%0.66869%0.687SS**  trans-60.7112.1177.2-64179.2154.300109.6P161 R165P161-E163 PolarHBondContact O-N 3.5Å; E163-R165 PolarHBondContact O-N 2.71Å; E163-R165 IonicContact OE2-CZ 3.71Å; E163-R165 IonicContact OE2-NE 3.52Å; E163-R165 IonicContact OE2-NH2 2.98Å; E163-R165 PolarHBondContact OE2-NH2 2.86Å
164T72.4Confident61.1Low132 Ų132130.9 Ų130.981%0.8169%0.685SS**  trans-68.191.3173.8540000110.1D162 I166D162-T164 PolarHBondContact O-N 3.38Å; T164-I166 PolarHBondContact O-N 3.49Å
165R68.1Low61.7Low205 Ų205125.2 Ų125.277%0.77467%0.666SS**  trans-79.6108.8175.7-66.7176-177.4166.24.2109.7E163E163-R165 PolarHBondContact O-N 2.71Å; E163-R165 IonicContact OE2-CZ 3.71Å; E163-R165 IonicContact OE2-NE 3.52Å; E163-R165 IonicContact OE2-NH2 2.98Å; E163-R165 PolarHBondContact OE2-NH2 2.86Å
166I70.8Confident62.7Low142 Ų142124.8 Ų124.873%0.72866%0.664SS**  trans-91112170.7-51.5174.8000107.5T164 V168T164-I166 PolarHBondContact O-N 3.49Å; I166-V168 HydrophobicContact CB-CG2 4.44Å; I166-V168 HydrophobicContact CG2-CG2 3.6Å; I166-V168 PolarHBondContact O-N 2.83Å
167S64Low63.7Low120 Ų120119.3 Ų119.384%0.83963%0.634SS**  trans-73.7105.2171.6-57.20000109.3
168V63.9Low64.8Low58 Ų58117.7 Ų117.735%0.35263%0.628SS.*  trans-121.8122.5172.1-173.90000108.2I166 F170I166-V168 HydrophobicContact CB-CG2 4.44Å; I166-V168 HydrophobicContact CG2-CG2 3.6Å; I166-V168 PolarHBondContact O-N 2.83Å; V168-F170 HydrophobicContact CB-CD2 4.24Å; V168-F170 HydrophobicContact CB-CE1 4.39Å; V168-F170 HydrophobicContact CB-CE2 3.51Å; V168-F170 HydrophobicContact CB-CZ 3.57Å; V168-F170 HydrophobicContact CG1-CD1 4.21Å; V168-F170 HydrophobicContact CG1-CD2 4.21Å; V168-F170 HydrophobicContact CG1-CE1 3.6Å; V168-F170 HydrophobicContact CG1-CE2 3.64Å; V168-F170 HydrophobicContact CG1-CG 4.47Å; V168-F170 HydrophobicContact CG1-CZ 3.27Å; V168-F170 HydrophobicContact CG2-CE2 4.48Å; V168-F170 HydrophobicContact CG2-CZ 4.31Å; V168-F170 WeakPolarHBondContact O-CD2 3.47Å; V168-F170 PolarHBondContact O-N 3.43Å
169D64.4Low66Low164 Ų164123.5 Ų123.588%0.87763%0.63SS**  trans-79.7106.5175.5-67.1-27.4000108.9
170F63.3Low67.3Low84 Ų84119.9 Ų119.937%0.36861%0.614SS.*  trans-97.5133.2173.3-62.3-75.7000110V168 L172 E283V168-F170 HydrophobicContact CB-CD2 4.24Å; V168-F170 HydrophobicContact CB-CE1 4.39Å; V168-F170 HydrophobicContact CB-CE2 3.51Å; V168-F170 HydrophobicContact CB-CZ 3.57Å; V168-F170 HydrophobicContact CG1-CD1 4.21Å; V168-F170 HydrophobicContact CG1-CD2 4.21Å; V168-F170 HydrophobicContact CG1-CE1 3.6Å; V168-F170 HydrophobicContact CG1-CE2 3.64Å; V168-F170 HydrophobicContact CG1-CG 4.47Å; V168-F170 HydrophobicContact CG1-CZ 3.27Å; V168-F170 HydrophobicContact CG2-CE2 4.48Å; V168-F170 HydrophobicContact CG2-CZ 4.31Å; V168-F170 WeakPolarHBondContact O-CD2 3.47Å; V168-F170 PolarHBondContact O-N 3.43Å; F170-L172 PolarHBondContact O-N 3.23Å; F170-E283 WeakPolarHBondContact CE1-O 3.37Å
171P66Low68.4Low75 Ų75113.2 Ų113.249%0.48759%0.585SS.*  trans-61.9122.3170.626.7-31.1000108.5I173 E283P171-I173 PolarHBondContact O-N 2.9Å; P171-E283 WeakPolarHBondContact CD-OE2 3.35Å; P171-E283 WeakPolarHBondContact CG-OE1 3.06Å; P171-E283 WeakPolarHBondContact CG-OE2 3.31Å
172L63.5Low69.6Low110 Ų110109.7 Ų109.758%0.57656%0.558SS**  trans-68.694.7179.6-173.876.3000109.3F170 R174F170-L172 PolarHBondContact O-N 3.23Å; L172-R174 HydrophobicContact CD2-CG 3.91Å; L172-R174 HydrophobicContact CG-CG 4.04Å; L172-R174 PolarHBondContact O-N 3.23Å
173I66Low70.8Confident67 Ų67104.8 Ų104.834%0.34453%0.532SS..  trans-72.5103.9172.7-60.1169000106.4P171 A175 I281 Q288 Q290P171-I173 PolarHBondContact O-N 2.9Å; I173-A175 PolarHBondContact O-N 2.93Å; I173-I281 HydrophobicContact CB-CD1 4.24Å; I173-I281 HydrophobicContact CD1-CG2 4.07Å; I173-I281 HydrophobicContact CG2-CD1 3.81Å; I173-Q288 PolarHBondContact O-NE2 2.94Å; I173-Q288 VanDerWaalsContact O-NE2 3.12Å; I173-Q290 PolarHBondContact O-NE2 3.07Å; I173-Q290 PolarHBondContact O-OE1 3.22Å
174R62.5Low71.7Confident212 Ų212100.6 Ų100.680%0.852%0.515SS*.  trans-91.589.8167.5-66.6-173178.5-176.10.6107.4L172 D176L172-R174 HydrophobicContact CD2-CG 3.91Å; L172-R174 HydrophobicContact CG-CG 4.04Å; L172-R174 PolarHBondContact O-N 3.23Å; R174-D176 PolarHBondContact O-N 3.45Å
175A65.3Low72.4Confident46 Ų46101.5 Ų101.538%0.3851%0.508SS..  trans-73.312116300000106.7I173 L177I173-A175 PolarHBondContact O-N 2.93Å; A175-L177 HydrophobicContact CB-CD2 4.27Å; A175-L177 HydrophobicContact CB-CG 4.36Å; A175-L177 PolarHBondContact O-N 2.75Å
176D67.4Low73.4Confident126 Ų12694.9 Ų94.967%0.67449%0.487SS*.  trans-68.5102169.4-170.3-4.3000107.5V2 R174 G178V2-D176 WeakPolarHBondContact CG2-O 3.2Å; R174-D176 PolarHBondContact O-N 3.45Å; D176-G178 PolarHBondContact OD1-N 2.94Å; D176-G178 VanDerWaalsContact OD1-N 3.08Å
177L68.9Low74.2Confident43 Ų4389.4 Ų89.423%0.22546%0.461CS..  trans-86.51.6-178.2-65.8169.8000111.9A175 V181 L279 Q290A175-L177 HydrophobicContact CB-CD2 4.27Å; A175-L177 HydrophobicContact CB-CG 4.36Å; A175-L177 PolarHBondContact O-N 2.75Å; L177-V181 HydrophobicContact CB-CG2 3.62Å; L177-V181 HydrophobicContact CD1-CG2 4.33Å; L177-L279 HydrophobicContact CD1-CD2 3.87Å; L177-L279 HydrophobicContact CD2-CD2 4Å; L177-Q290 HydrophobicContact CD1-CB 3.84Å
178G70.5Confident75.1Confident29 Ų2992 Ų9230%0.29947%0.465SS..  trans70-172.3-174.100000113.2D176D176-G178 PolarHBondContact OD1-N 2.94Å; D176-G178 VanDerWaalsContact OD1-N 3.08Å
179R75.7Confident76.1Confident211 Ų21190.8 Ų90.880%0.79646%0.455SS*.SBendtrans-71.8-31.7-175.2-61-179.4-175.6-176.93.5113.4
180E82.2Confident77.2Confident102 Ų10283.3 Ų83.348%0.47742%0.415SS..  trans-133.8121.4-176.3-62.1-173-175.200111.4H182 K269E180-H182 VanDerWaalsContact CB-CE1 3.49Å; E180-H182 WeakPolarHBondContact CB-CE1 3.16Å; E180-H182 PolarHBondContact O-ND1 3.16Å; E180-H182 IonicContact OE2-CE1 3.65Å; E180-H182 PolarHBondContact OE2-CE1 2.8Å; E180-H182 VanDerWaalsContact OE2-CE1 3.25Å; E180-H182 IonicContact OE2-NE2 3.54Å; E180-K269 IonicContact OE2-NZ 3.62Å
181V85.1Confident78.3Confident32 Ų3281.6 Ų81.619%0.19441%0.414CS..  trans-106.1130.6176.3-163.10000109.4L177 L293L177-V181 HydrophobicContact CB-CG2 3.62Å; L177-V181 HydrophobicContact CD1-CG2 4.33Å; V181-L293 HydrophobicContact CB-CD2 3.97Å; V181-L293 HydrophobicContact CG1-CD2 3.37Å
182H87.3Confident79.5Confident42 Ų4281.1 Ų81.119%0.19441%0.409CS..EExtended strand (participates in β ladder)trans-122.4138.6-175.3-63.680.1000110.2E180 K269 T295 L297E180-H182 VanDerWaalsContact CB-CE1 3.49Å; E180-H182 WeakPolarHBondContact CB-CE1 3.16Å; E180-H182 PolarHBondContact O-ND1 3.16Å; E180-H182 IonicContact OE2-CE1 3.65Å; E180-H182 PolarHBondContact OE2-CE1 2.8Å; E180-H182 VanDerWaalsContact OE2-CE1 3.25Å; E180-H182 IonicContact OE2-NE2 3.54Å; H182-K269 PolarHBondContact NE2-NZ 2.86Å; H182-T295 PolarHBondContact CD2-OG1 3.45Å; H182-T295 PolarHBondContact NE2-OG1 2.83Å; H182-L297 HydrophobicContact CB-CD1 3.63Å; H182-L297 HydrophobicContact CB-CG 3.81Å
183L88.4Confident80.7Confident58 Ų5878.6 Ų78.630%0.30440%0.395SS..EExtended strand (participates in β ladder)trans-81.5122.4172.1178.562.8000109.7L293 T295 K296 L297L183-L293 HydrophobicContact CB-CB 4.46Å; L183-L293 HydrophobicContact CB-CD1 4.19Å; L183-L293 HydrophobicContact CD1-CD1 4.09Å; L183-T295 PolarHBondContact N-O 3.3Å; L183-K296 HydrophobicContact CB-CB 4.32Å; L183-K296 HydrophobicContact CD2-CD 4.5Å; L183-K296 CarbonylContact O-C 3.47Å; L183-K296 WeakPolarHBondContact O-CA 3.32Å; L183-K296 WeakPolarHBondContact O-CG 3.42Å; L183-L297 PolarHBondContact O-N 2.77Å
184V90.3Very high81.7Confident54 Ų5481.3 Ų81.333%0.32741%0.414SS..EExtended strand (participates in β ladder)trans-111.8124.5175.8165.10000109.1M186 L297 F299V184-M186 HydrophobicContact CG1-CG 4.28Å; V184-M186 HydrophobicContact CG1-SD 3.35Å; V184-M186 WeakPolarHBondContact CG1-SD 3.38Å; V184-L297 HydrophobicContact CG2-CB 3.97Å; V184-L297 HydrophobicContact CG2-CD1 4.18Å; V184-F299 HydrophobicContact CB-CE2 4.37Å; V184-F299 HydrophobicContact CG1-CD2 4.35Å; V184-F299 HydrophobicContact CG1-CE2 3.51Å; V184-F299 HydrophobicContact CG1-CZ 4.36Å; V184-F299 HydrophobicContact CG2-CE2 4.01Å; V184-F299 HydrophobicContact CG2-CZ 4.25Å
185K87.8Confident83Confident152 Ų15280.8 Ų80.866%0.66141%0.412SS*.  trans-97.3109163.6-175.8174.8-178.5175.50108.4P187K185-P187 VanDerWaalsContact O-CD 3.25Å; K185-P187 WeakPolarHBondContact O-CD 3.32Å
186M89.3Confident84.1Confident65 Ų6581.7 Ų81.732%0.3241%0.414SS..  trans-63.3120179.8-61.8-54.3-58.500110.6V184 L190 V192 I228V184-M186 HydrophobicContact CG1-CG 4.28Å; V184-M186 HydrophobicContact CG1-SD 3.35Å; V184-M186 WeakPolarHBondContact CG1-SD 3.38Å; M186-L190 HydrophobicContact CE-CB 3.9Å; M186-L190 HydrophobicContact CE-CD2 3.43Å; M186-L190 VanDerWaalsContact CE-CD2 3.43Å; M186-L190 HydrophobicContact CE-CG 3.44Å; M186-L190 VanDerWaalsContact CE-CG 3.44Å; M186-L190 WeakPolarHBondContact CE-O 3.19Å; M186-V192 HydrophobicContact CE-CG2 3.46Å; M186-V192 VanDerWaalsContact CE-CG2 3.46Å; M186-V192 HydrophobicContact SD-CG2 3.73Å; M186-I228 HydrophobicContact CE-CD1 4.42Å
187P87.4Confident85.1Confident28 Ų2878.2 Ų78.218%0.18239%0.393CS..  trans-68.7157.2171-19.433.8000111.7K185 F189 L190 F299K185-P187 VanDerWaalsContact O-CD 3.25Å; K185-P187 WeakPolarHBondContact O-CD 3.32Å; P187-F189 HydrophobicContact CB-CD1 3.6Å; P187-F189 HydrophobicContact CB-CD2 4.43Å; P187-F189 HydrophobicContact CB-CE1 3.24Å; P187-F189 HydrophobicContact CB-CE2 4.12Å; P187-F189 HydrophobicContact CB-CG 4.19Å; P187-F189 HydrophobicContact CB-CZ 3.53Å; P187-F189 HydrophobicContact CG-CE1 3.87Å; P187-F189 HydrophobicContact CG-CE2 4.22Å; P187-F189 HydrophobicContact CG-CZ 3.64Å; P187-F189 PolarHBondContact O-N 2.91Å; P187-L190 PolarHBondContact O-N 3.37Å; P187-F299 HydrophobicContact CG-CB 4.21Å
188N82.8Confident85.8Confident175 Ų17579.1 Ų79.194%0.93640%0.398SS*.THydrogen-bonded Turntrans-58.9-18.9-179.5-66.3-2.2000114.6
189F84.4Confident86.5Confident32 Ų3282 Ų8214%0.1441%0.411CS..THydrogen-bonded Turntrans-91.4-1.4178.861.9-101.4000113.7P187 L222 N226 F265 I312P187-F189 HydrophobicContact CB-CD1 3.6Å; P187-F189 HydrophobicContact CB-CD2 4.43Å; P187-F189 HydrophobicContact CB-CE1 3.24Å; P187-F189 HydrophobicContact CB-CE2 4.12Å; P187-F189 HydrophobicContact CB-CG 4.19Å; P187-F189 HydrophobicContact CB-CZ 3.53Å; P187-F189 HydrophobicContact CG-CE1 3.87Å; P187-F189 HydrophobicContact CG-CE2 4.22Å; P187-F189 HydrophobicContact CG-CZ 3.64Å; P187-F189 PolarHBondContact O-N 2.91Å; F189-L222 HydrophobicContact CB-CD1 4.5Å; F189-N226 WeakPolarHBondContact O-CB 3.26Å; F189-N226 PolarHBondContact O-ND2 2.91Å; F189-F265 HydrophobicContact CD2-CD1 4.37Å; F189-F265 AromaticContact CD2-CE1 3.74Å; F189-F265 HydrophobicContact CD2-CE1 3.74Å; F189-F265 HydrophobicContact CD2-CZ 4.4Å; F189-F265 AromaticContact CE2-CD1 3.71Å; F189-F265 HydrophobicContact CE2-CD1 3.71Å; F189-F265 AromaticContact CE2-CE1 3.56Å; F189-F265 HydrophobicContact CE2-CE1 3.56Å; F189-F265 HydrophobicContact CE2-CZ 4.47Å; F189-I312 HydrophobicContact CB-CD1 3.85Å; F189-I312 HydrophobicContact CB-CG1 4.35Å; F189-I312 HydrophobicContact CD1-CD1 3.46Å; F189-I312 VanDerWaalsContact CD1-CD1 3.46Å; F189-I312 HydrophobicContact CE1-CD1 4.12Å; F189-I312 HydrophobicContact CG-CD1 3.72Å
190L87.1Confident86.7Confident6 Ų678.6 Ų78.63%0.03141%0.409CS..  trans-135.2126.3-177.9-17275.2000109.6M186 P187 N226 I228 L258 L260 F265 F299M186-L190 HydrophobicContact CE-CB 3.9Å; M186-L190 HydrophobicContact CE-CD2 3.43Å; M186-L190 VanDerWaalsContact CE-CD2 3.43Å; M186-L190 HydrophobicContact CE-CG 3.44Å; M186-L190 VanDerWaalsContact CE-CG 3.44Å; M186-L190 WeakPolarHBondContact CE-O 3.19Å; P187-L190 PolarHBondContact O-N 3.37Å; L190-N226 WeakPolarHBondContact CA-O 3.26Å; L190-N226 HydrophobicContact CD1-CB 4.21Å; L190-I228 HydrophobicContact CD1-CD1 4.3Å; L190-I228 HydrophobicContact CD1-CG1 4.33Å; L190-I228 HydrophobicContact CD2-CD1 4.05Å; L190-I228 HydrophobicContact CG-CD1 4.26Å; L190-L258 HydrophobicContact CD1-CD2 4.39Å; L190-L258 HydrophobicContact CD2-CD2 3.93Å; L190-L260 HydrophobicContact CD1-CD2 4.01Å; L190-F265 HydrophobicContact CD1-CE2 4.14Å; L190-F265 HydrophobicContact CD1-CZ 4.41Å; L190-F299 HydrophobicContact CD2-CD1 4.42Å; L190-F299 HydrophobicContact CD2-CD2 4.24Å; L190-F299 HydrophobicContact CD2-CG 4.14Å
191S86.7Confident86.5Confident49 Ų4981.9 Ų81.934%0.34342%0.422SS..EExtended strand (participates in β ladder)trans-117.2161.3176.6-170.10000111N226 T227 I228S191-N226 PolarHBondContact N-O 3.23Å; S191-T227 WeakPolarHBondContact CB-OG1 3.25Å; S191-T227 CarbonylContact O-C 3.59Å; S191-T227 WeakPolarHBondContact O-CA 3.21Å; S191-I228 PolarHBondContact O-N 2.74Å
192V90.4Very high86.1Confident65 Ų6584.1 Ų84.139%0.39443%0.428SS..EExtended strand (participates in β ladder)trans-130.6125.3174.7176.80000108.6M186 I228M186-V192 HydrophobicContact CE-CG2 3.46Å; M186-V192 VanDerWaalsContact CE-CG2 3.46Å; M186-V192 HydrophobicContact SD-CG2 3.73Å; V192-I228 WeakPolarHBondContact CA-O 3.22Å; V192-I228 HydrophobicContact CB-CB 4.4Å; V192-I228 HydrophobicContact CG1-CB 4.44Å; V192-I228 HydrophobicContact CG1-CG2 4.42Å; V192-I228 HydrophobicContact CG2-CB 3.9Å; V192-I228 HydrophobicContact CG2-CD1 3.69Å; V192-I228 HydrophobicContact CG2-CG1 4.31Å; V192-I228 HydrophobicContact CG2-CG2 4.44Å
193E89.5Confident85.2Confident57 Ų5789.8 Ų89.827%0.26645%0.454SS..EExtended strand (participates in β ladder)trans-84.8124.8169.1-78.6171.6-151.300110.3T227 I228 R229E193-T227 HydrophobicContact CB-CG2 4.39Å; E193-T227 HydrophobicContact CG-CG2 3.72Å; E193-T227 WeakPolarHBondContact OE1-CG2 3.5Å; E193-I228 PolarHBondContact N-O 3.29Å; E193-R229 HydrophobicContact CB-CG 4.22Å; E193-R229 HydrophobicContact CG-CG 4.28Å; E193-R229 WeakPolarHBondContact OE1-CD 3.47Å; E193-R229 IonicContact OE1-CZ 3.08Å; E193-R229 IonicContact OE1-NE 3.6Å; E193-R229 PolarHBondContact OE1-NE 3.48Å; E193-R229 IonicContact OE1-NH2 3.72Å; E193-R229 VanDerWaalsContact OE2-CD 3.24Å; E193-R229 WeakPolarHBondContact OE2-CD 3.3Å; E193-R229 WeakPolarHBondContact OE2-CG 3.18Å; E193-R229 IonicContact OE2-NE 2.73Å
194T87.4Confident84.1Confident123 Ų12390.6 Ų90.676%0.75546%0.459SS*.EExtended strand (participates in β ladder)trans-82.7-22.9179.654.20000112.6W230T194-W230 PolarHBondContact O-NE1 2.78Å
195R88.6Confident82.7Confident202 Ų20294.6 Ų94.676%0.76247%0.474SS*.EExtended strand (participates in β ladder)trans-86.7149.8178.3-66.4-175.8178.9173.61.4110.6F197 W230R195-F197 PolarHBondContact O-N 3.22Å; R195-W230 PolarHBondContact O-NE1 3.35Å
196P89.2Confident81Confident64 Ų6491 Ų9142%0.41646%0.461SS..EExtended strand (participates in β ladder)trans-62.6131170.427.1-32.4000109.1D198 W230 I232P196-D198 PolarHBondContact O-N 3.1Å; P196-W230 CarbonylContact C-O 3.58Å; P196-W230 VanDerWaalsContact CA-O 3.3Å; P196-W230 WeakPolarHBondContact CA-O 3.39Å; P196-W230 HydrophobicContact CB-CD2 4.38Å; P196-W230 HydrophobicContact CB-CE3 4.33Å; P196-W230 HydrophobicContact CB-CH2 3.88Å; P196-W230 HydrophobicContact CB-CZ2 3.89Å; P196-W230 HydrophobicContact CB-CZ3 4.1Å; P196-W230 HydrophobicContact CG-CH2 4.25Å; P196-W230 HydrophobicContact CG-CZ2 4.2Å; P196-I232 HydrophobicContact CB-CD1 4.44Å; P196-I232 HydrophobicContact CB-CG1 4.33Å
197F87.4Confident79.4Confident54 Ų5493 Ų9324%0.23747%0.474CS..  trans-67.3114.5177.6177.5-98.3000109.6R195 P199 Y202 R229 W230 R231R195-F197 PolarHBondContact O-N 3.22Å; F197-P199 HydrophobicContact CE1-CG 3.98Å; F197-Y202 HydrophobicContact CD2-CD2 4.24Å; F197-Y202 AromaticContact CE2-CD2 3.51Å; F197-Y202 HydrophobicContact CE2-CD2 3.51Å; F197-Y202 HydrophobicContact CE2-CE2 4.14Å; F197-Y202 AromaticContact CE2-CG 3.94Å; F197-Y202 HydrophobicContact CE2-CG 3.94Å; F197-Y202 HydrophobicContact CZ-CD2 4.44Å; F197-Y202 HydrophobicContact CZ-CG 4.49Å; F197-R229 HydrophobicContact CB-CB 4.25Å; F197-W230 WeakPolarHBondContact CB-O 3.44Å; F197-W230 PolarHBondContact N-O 2.79Å; F197-R231 HydrophobicContact CB-CB 4.27Å; F197-R231 WeakPolarHBondContact O-CB 3.02Å
198D84.8Confident77.8Confident61 Ų6199.4 Ų99.433%0.32650%0.501SS..  trans-114.3118.2170.1-172.7-21.4000107.9P196 N200 F201 Y202P196-D198 PolarHBondContact O-N 3.1Å; D198-N200 PolarHBondContact O-N 3.4Å; D198-N200 WeakPolarHBondContact OD1-CB 3.25Å; D198-N200 PolarHBondContact OD1-N 3.3Å; D198-N200 PolarHBondContact OD1-ND2 3.11Å; D198-N200 VanDerWaalsContact OD1-ND2 3.09Å; D198-F201 HydrophobicContact CB-CB 4.46Å; D198-F201 HydrophobicContact CB-CD2 3.96Å; D198-F201 PolarHBondContact O-N 3.18Å; D198-F201 VanDerWaalsContact O-N 3.08Å; D198-F201 WeakPolarHBondContact OD2-CD2 3.29Å; D198-Y202 PolarHBondContact O-N 2.78Å; D198-Y202 VanDerWaalsContact O-N 3.12Å
199P84.3Confident76.5Confident89 Ų8997.7 Ų97.758%0.57849%0.492SS*.THydrogen-bonded Turntrans-53.4-27.6178-25.232.9000114F197F197-P199 HydrophobicContact CE1-CG 3.98Å
200N80.5Confident75.1Confident141 Ų14198.5 Ų98.575%0.75450%0.496SS*.THydrogen-bonded Turntrans-78.3-26.6-177.8-57.9-51.6000113.2D198D198-N200 PolarHBondContact O-N 3.4Å; D198-N200 WeakPolarHBondContact OD1-CB 3.25Å; D198-N200 PolarHBondContact OD1-N 3.3Å; D198-N200 PolarHBondContact OD1-ND2 3.11Å; D198-N200 VanDerWaalsContact OD1-ND2 3.09Å
201F77.2Confident73.7Confident171 Ų17199.9 Ų99.975%0.7550%0.503SS*.SBendtrans-101.65.8176.7-66.9-75000112D198 E203D198-F201 HydrophobicContact CB-CB 4.46Å; D198-F201 HydrophobicContact CB-CD2 3.96Å; D198-F201 PolarHBondContact O-N 3.18Å; D198-F201 VanDerWaalsContact O-N 3.08Å; D198-F201 WeakPolarHBondContact OD2-CD2 3.29Å; F201-E203 VanDerWaalsContact C-N 3.28Å; F201-E203 PolarHBondContact O-N 3.33Å
202Y76.2Confident72.5Confident79 Ų79103.7 Ų103.731%0.3152%0.519SS..  trans-74.889.4171.6-173.1-99.3000108.5F197 D198 D204F197-Y202 HydrophobicContact CD2-CD2 4.24Å; F197-Y202 AromaticContact CE2-CD2 3.51Å; F197-Y202 HydrophobicContact CE2-CD2 3.51Å; F197-Y202 HydrophobicContact CE2-CE2 4.14Å; F197-Y202 AromaticContact CE2-CG 3.94Å; F197-Y202 HydrophobicContact CE2-CG 3.94Å; F197-Y202 HydrophobicContact CZ-CD2 4.44Å; F197-Y202 HydrophobicContact CZ-CG 4.49Å; D198-Y202 PolarHBondContact O-N 2.78Å; D198-Y202 VanDerWaalsContact O-N 3.12Å; Y202-D204 HydrophobicContact CE1-CB 4Å; Y202-D204 PolarHBondContact OH-OD1 2.83Å
203E70.2Confident71.3Confident160 Ų160106.1 Ų106.175%0.74853%0.53SS*.  trans-78.4115.9159.4-66.3-178.2177.600105.7F201 E205F201-E203 VanDerWaalsContact C-N 3.28Å; F201-E203 PolarHBondContact O-N 3.33Å; E203-E205 PolarHBondContact O-N 3.5Å
204D64.1Low70.3Confident75 Ų75111.4 Ų111.440%0.40156%0.555SS.*  trans-62.693.5163.9-159.422.1000104.1Y202 L206Y202-D204 HydrophobicContact CE1-CB 4Å; Y202-D204 PolarHBondContact OH-OD1 2.83Å; D204-L206 HydrophobicContact CB-CD1 4.29Å; D204-L206 HydrophobicContact CB-CG 4Å; D204-L206 WeakPolarHBondContact O-CG 3.18Å; D204-L206 PolarHBondContact O-N 3.4Å; D204-L206 WeakPolarHBondContact OD2-CD2 3.49Å; D204-L206 WeakPolarHBondContact OD2-CG 3.1Å
205E60.8Low69.4Low139 Ų139108.7 Ų108.765%0.6553%0.533SS*.  trans-63.872.1176-75.9-177.9170.900107.5E203 D207 K223E203-E205 PolarHBondContact O-N 3.5Å; E205-D207 VanDerWaalsContact C-N 3.34Å; E205-D207 PolarHBondContact O-N 2.76Å; E205-K223 IonicContact OE2-NZ 2.71Å
206L53.5Low68.4Low75 Ų7599.4 Ų99.439%0.39350%0.501SS..  trans-80.989169.8-65176.1000104.4D204 E208 I211 L220D204-L206 HydrophobicContact CB-CD1 4.29Å; D204-L206 HydrophobicContact CB-CG 4Å; D204-L206 WeakPolarHBondContact O-CG 3.18Å; D204-L206 PolarHBondContact O-N 3.4Å; D204-L206 WeakPolarHBondContact OD2-CD2 3.49Å; D204-L206 WeakPolarHBondContact OD2-CG 3.1Å; L206-E208 PolarHBondContact O-N 2.84Å; L206-I211 HydrophobicContact CB-CD1 3.87Å; L206-I211 HydrophobicContact CD2-CD1 3.66Å; L206-I211 HydrophobicContact CG-CD1 4.23Å; L206-L220 HydrophobicContact CD2-CD1 4.17Å; L206-L220 HydrophobicContact CD2-CD2 3.45Å; L206-L220 VanDerWaalsContact CD2-CD2 3.45Å; L206-L220 HydrophobicContact CD2-CG 4.4Å
207D55.8Low67.4Low109 Ų109103.2 Ų103.258%0.58351%0.507SS*.  trans-61.1100.9152.3-83.8-22.5000105.4E205 D209 E210 I211E205-D207 VanDerWaalsContact C-N 3.34Å; E205-D207 PolarHBondContact O-N 2.76Å; D207-D209 PolarHBondContact O-N 3.28Å; D207-E210 HydrophobicContact CB-CB 3.92Å; D207-E210 WeakPolarHBondContact O-CA 3.3Å; D207-E210 WeakPolarHBondContact O-CB 3.27Å; D207-E210 PolarHBondContact O-N 3.44Å; D207-I211 PolarHBondContact O-N 3.38Å
208E53.2Low66.3Low162 Ų162103.1 Ų103.176%0.75751%0.511SS*.Hα-helixtrans-53.2-28.7176.4-70.1-177.2169.600110.9L206 E210 I211L206-E208 PolarHBondContact O-N 2.84Å; E208-E210 VanDerWaalsContact C-N 3.32Å; E208-E210 PolarHBondContact O-N 3.03Å; E208-I211 PolarHBondContact O-N 2.96Å
209D54.9Low65.5Low139 Ų139107 Ų10774%0.74352%0.521SS*.Hα-helixtrans-67.1-26.8174.2-67.4-29000113.6D207D207-D209 PolarHBondContact O-N 3.28Å
210E56.2Low64.7Low48 Ų48104.1 Ų104.122%0.22450%0.5CS..Hα-helixtrans-84.1-18177-168.7169.1154.800112.2D207 E208 G216 R219D207-E210 HydrophobicContact CB-CB 3.92Å; D207-E210 WeakPolarHBondContact O-CA 3.3Å; D207-E210 WeakPolarHBondContact O-CB 3.27Å; D207-E210 PolarHBondContact O-N 3.44Å; E208-E210 VanDerWaalsContact C-N 3.32Å; E208-E210 PolarHBondContact O-N 3.03Å; E210-G216 CarbonylContact O-C 3.46Å; E210-G216 VanDerWaalsContact O-C 3.27Å; E210-G216 WeakPolarHBondContact O-CA 3.18Å; E210-R219 IonicContact OE1-CZ 2.82Å; E210-R219 IonicContact OE1-NE 2.76Å; E210-R219 PolarHBondContact OE1-NE 3.32Å; E210-R219 IonicContact OE1-NH2 3.75Å; E210-R219 PolarHBondContact OE1-NH2 3.44Å; E210-R219 IonicContact OE2-CZ 2.78Å; E210-R219 IonicContact OE2-NE 3.14Å; E210-R219 IonicContact OE2-NH2 3.84Å; E210-R219 PolarHBondContact OE2-NH2 3.06Å
211I57.3Low64.1Low36 Ų36101.8 Ų101.819%0.18548%0.484CS..Hα-helixtrans-87.1-13.6-176.8-57.7164.4000111.7L206 D207 E208 D213 R217 L220L206-I211 HydrophobicContact CB-CD1 3.87Å; L206-I211 HydrophobicContact CD2-CD1 3.66Å; L206-I211 HydrophobicContact CG-CD1 4.23Å; D207-I211 PolarHBondContact O-N 3.38Å; E208-I211 PolarHBondContact O-N 2.96Å; I211-D213 VanDerWaalsContact C-N 3.28Å; I211-D213 PolarHBondContact O-N 3.36Å; I211-R217 HydrophobicContact CG2-CG 3.94Å; I211-R217 WeakPolarHBondContact O-CG 3.4Å; I211-R217 PolarHBondContact O-NH1 3.26Å; I211-L220 HydrophobicContact CD1-CD2 4.14Å; I211-L220 HydrophobicContact CG1-CD2 3.87Å
212L60.7Low63.9Low128 Ų12894.6 Ų94.667%0.6745%0.453SS*.SBendtrans-62.2-32.9-176-100.2146.6000113.3
213D65.9Low63.7Low117 Ų11795.2 Ų95.263%0.62646%0.457SS*.SBendtrans-99.9142.4179.6-67.6-30.7000111.5I211 E215 G216 R217I211-D213 VanDerWaalsContact C-N 3.28Å; I211-D213 PolarHBondContact O-N 3.36Å; D213-E215 PolarHBondContact O-N 3.04Å; D213-E215 VanDerWaalsContact O-N 3.16Å; D213-G216 WeakPolarHBondContact O-CA 3.44Å; D213-G216 PolarHBondContact O-N 2.86Å; D213-R217 PolarHBondContact O-N 3.19Å
214E67.1Low63.7Low167 Ų16790.2 Ų90.278%0.7844%0.438SS*.Hα-helixtrans-55.3-31.9172.4-67.4178.2171.500111.7T218E214-T218 WeakPolarHBondContact O-CG2 3.38Å; E214-T218 PolarHBondContact O-N 3.46Å; E214-T218 PolarHBondContact O-OG1 2.89Å; E214-T218 VanDerWaalsContact O-OG1 3.09Å
215E69.7Low64.4Low66 Ų6690.2 Ų90.231%0.30844%0.435SS..Hα-helixtrans-68.4-35.8173.2-168.7178.2165.300112.5D213 T218 R219 K319D213-E215 PolarHBondContact O-N 3.04Å; D213-E215 VanDerWaalsContact O-N 3.16Å; E215-T218 VanDerWaalsContact C-OG1 3.3Å; E215-T218 VanDerWaalsContact CA-OG1 3.31Å; E215-T218 WeakPolarHBondContact CA-OG1 3.24Å; E215-T218 PolarHBondContact O-N 2.8Å; E215-T218 PolarHBondContact O-OG1 2.78Å; E215-R219 PolarHBondContact O-N 3.48Å; E215-K319 WeakPolarHBondContact OE1-CE 3.32Å; E215-K319 IonicContact OE1-NZ 3.86Å; E215-K319 PolarHBondContact OE1-NZ 3.42Å
216G67.7Low65.5Low8 Ų883.7 Ų83.78%0.08241%0.405CS..Hα-helixtrans-77.7-34.9178.900000112.6E210 D213 T218 R219 L220E210-G216 CarbonylContact O-C 3.46Å; E210-G216 VanDerWaalsContact O-C 3.27Å; E210-G216 WeakPolarHBondContact O-CA 3.18Å; D213-G216 WeakPolarHBondContact O-CA 3.44Å; D213-G216 PolarHBondContact O-N 2.86Å; G216-T218 VanDerWaalsContact C-N 3.32Å; G216-T218 PolarHBondContact O-N 2.96Å; G216-R219 PolarHBondContact O-N 2.84Å; G216-L220 WeakPolarHBondContact O-CB 3.1Å; G216-L220 PolarHBondContact O-N 3.5Å
217R67.4Low67.1Low143 Ų14380.2 Ų80.254%0.5439%0.387SS..Hα-helixtrans-58.7-43.3166-77.1-168.8170.9100.61.1112.5I211 D213 L220 K221I211-R217 HydrophobicContact CG2-CG 3.94Å; I211-R217 WeakPolarHBondContact O-CG 3.4Å; I211-R217 PolarHBondContact O-NH1 3.26Å; D213-R217 PolarHBondContact O-N 3.19Å; R217-L220 PolarHBondContact O-N 3.09Å; R217-K221 PolarHBondContact O-N 2.88Å
218T65.6Low68.8Low52 Ų5276.1 Ų76.132%0.31936%0.364SS..Hα-helixtrans-66.7-42.6176.652.30000110.3E214 E215 G216 L220 K221 L222 K311E214-T218 WeakPolarHBondContact O-CG2 3.38Å; E214-T218 PolarHBondContact O-N 3.46Å; E214-T218 PolarHBondContact O-OG1 2.89Å; E214-T218 VanDerWaalsContact O-OG1 3.09Å; E215-T218 VanDerWaalsContact C-OG1 3.3Å; E215-T218 VanDerWaalsContact CA-OG1 3.31Å; E215-T218 WeakPolarHBondContact CA-OG1 3.24Å; E215-T218 PolarHBondContact O-N 2.8Å; E215-T218 PolarHBondContact O-OG1 2.78Å; G216-T218 VanDerWaalsContact C-N 3.32Å; G216-T218 PolarHBondContact O-N 2.96Å; T218-L220 PolarHBondContact O-N 3.24Å; T218-K221 PolarHBondContact O-N 3.07Å; T218-L222 PolarHBondContact O-N 2.87Å; T218-K311 HydrophobicContact CG2-CG 4.45Å; T218-K311 WeakPolarHBondContact O-CE 3.4Å; T218-K311 PolarHBondContact O-NZ 3.06Å
219R68Low70.6Confident143 Ų14370.2 Ų70.254%0.5434%0.335SS..Hα-helixtrans-59.3-45.5173.9-167.7166.474.9-171.210.6112.6E210 E215 G216 K221 L222 K223E210-R219 IonicContact OE1-CZ 2.82Å; E210-R219 IonicContact OE1-NE 2.76Å; E210-R219 PolarHBondContact OE1-NE 3.32Å; E210-R219 IonicContact OE1-NH2 3.75Å; E210-R219 PolarHBondContact OE1-NH2 3.44Å; E210-R219 IonicContact OE2-CZ 2.78Å; E210-R219 IonicContact OE2-NE 3.14Å; E210-R219 IonicContact OE2-NH2 3.84Å; E210-R219 PolarHBondContact OE2-NH2 3.06Å; E215-R219 PolarHBondContact O-N 3.48Å; G216-R219 PolarHBondContact O-N 2.84Å; R219-K221 PolarHBondContact O-N 3.12Å; R219-L222 WeakPolarHBondContact O-CB 3.17Å; R219-L222 PolarHBondContact O-N 3.48Å; R219-L222 VanDerWaalsContact O-N 3.17Å; R219-K223 PolarHBondContact O-N 3.04Å
220L66.9Low72.4Confident28 Ų2867.8 Ų67.815%0.14732%0.316CS..Hα-helixtrans-59.2-49.6177.6178.363.8000111.5L206 I211 G216 R217 T218 L222 K223 V224L206-L220 HydrophobicContact CD2-CD1 4.17Å; L206-L220 HydrophobicContact CD2-CD2 3.45Å; L206-L220 VanDerWaalsContact CD2-CD2 3.45Å; L206-L220 HydrophobicContact CD2-CG 4.4Å; I211-L220 HydrophobicContact CD1-CD2 4.14Å; I211-L220 HydrophobicContact CG1-CD2 3.87Å; G216-L220 WeakPolarHBondContact O-CB 3.1Å; G216-L220 PolarHBondContact O-N 3.5Å; R217-L220 PolarHBondContact O-N 3.09Å; T218-L220 PolarHBondContact O-N 3.24Å; L220-L222 VanDerWaalsContact C-N 3.25Å; L220-L222 PolarHBondContact O-N 3.31Å; L220-K223 CarbonylContact O-C 3.27Å; L220-K223 WeakPolarHBondContact O-CA 3.15Å; L220-K223 WeakPolarHBondContact O-CB 3.36Å; L220-K223 PolarHBondContact O-N 3.04Å; L220-V224 HydrophobicContact CD1-CG2 4.21Å; L220-V224 HydrophobicContact CG-CG2 4.49Å; L220-V224 WeakPolarHBondContact O-CG2 3.3Å; L220-V224 PolarHBondContact O-N 3.15Å
221K68.4Low74.1Confident93 Ų9371 Ų7140%0.40433%0.326SS..Hα-helixtrans-62.9-32.3179.1174.5174.9-177.4-172.90112.2R217 T218 R219 E225 F307 K311R217-K221 PolarHBondContact O-N 2.88Å; T218-K221 PolarHBondContact O-N 3.07Å; R219-K221 PolarHBondContact O-N 3.12Å; K221-E225 WeakPolarHBondContact CE-OE1 3.23Å; K221-E225 WeakPolarHBondContact CE-OE2 3.37Å; K221-E225 IonicContact NZ-OE1 3.94Å; K221-E225 PolarHBondContact O-N 2.98Å; K221-E225 VanDerWaalsContact O-N 3.14Å; K221-F307 HydrophobicContact CD-CE1 3.96Å; K221-F307 HydrophobicContact CD-CZ 3.52Å; K221-F307 HydrophobicContact CG-CE1 3.99Å; K221-F307 HydrophobicContact CG-CZ 4.06Å; K221-F307 VanDerWaalsContact NZ-CZ 3.29Å; K221-K311 VanDerWaalsContact C-NZ 3.3Å; K221-K311 VanDerWaalsContact CG-NZ 3.34Å
222L72.1Confident75.7Confident20 Ų2073.1 Ų73.111%0.10534%0.336CS..Hα-helixtrans-67.7-41.2171.5-77.2168.5000110.8F189 T218 R219 L220 V224 N226 T308 K311F189-L222 HydrophobicContact CB-CD1 4.5Å; T218-L222 PolarHBondContact O-N 2.87Å; R219-L222 WeakPolarHBondContact O-CB 3.17Å; R219-L222 PolarHBondContact O-N 3.48Å; R219-L222 VanDerWaalsContact O-N 3.17Å; L220-L222 VanDerWaalsContact C-N 3.25Å; L220-L222 PolarHBondContact O-N 3.31Å; L222-V224 VanDerWaalsContact C-N 3.32Å; L222-V224 PolarHBondContact O-N 3.17Å; L222-N226 VanDerWaalsContact CD2-ND2 3.34Å; L222-N226 WeakPolarHBondContact CD2-ND2 3.2Å; L222-N226 WeakPolarHBondContact O-CA 3.38Å; L222-N226 WeakPolarHBondContact O-CB 3.38Å; L222-N226 PolarHBondContact O-N 3.12Å; L222-T308 HydrophobicContact CD2-CG2 4.17Å; L222-K311 HydrophobicContact CD1-CD 4.14Å; L222-K311 HydrophobicContact CD1-CG 4.12Å; L222-K311 HydrophobicContact CD2-CD 3.83Å; L222-K311 HydrophobicContact CD2-CG 4.41Å; L222-K311 HydrophobicContact CG-CD 3.69Å; L222-K311 HydrophobicContact CG-CG 4.22Å
223K71.2Confident76.9Confident92 Ų9267.6 Ų67.640%0.431%0.311SS..Hα-helixtrans-61.7-41.4177.4-167.3-178.4176-166.60110.8E205 R219 L220 T227E205-K223 IonicContact OE2-NZ 2.71Å; R219-K223 PolarHBondContact O-N 3.04Å; L220-K223 CarbonylContact O-C 3.27Å; L220-K223 WeakPolarHBondContact O-CA 3.15Å; L220-K223 WeakPolarHBondContact O-CB 3.36Å; L220-K223 PolarHBondContact O-N 3.04Å; K223-T227 WeakPolarHBondContact O-CB 3.45Å; K223-T227 PolarHBondContact O-OG1 3.3Å
224V70.2Confident77.9Confident55 Ų5570.5 Ų70.533%0.33332%0.318SS..Hα-helixtrans-71.8-50.9-178178.30000112L220 L222 R229L220-V224 HydrophobicContact CD1-CG2 4.21Å; L220-V224 HydrophobicContact CG-CG2 4.49Å; L220-V224 WeakPolarHBondContact O-CG2 3.3Å; L220-V224 PolarHBondContact O-N 3.15Å; L222-V224 VanDerWaalsContact C-N 3.32Å; L222-V224 PolarHBondContact O-N 3.17Å; V224-R229 PolarHBondContact O-NH2 3.03Å
225E78.7Confident78.7Confident75 Ų7564.1 Ų64.135%0.3529%0.291SS..Hα-helixtrans-73.6-39.8-176.7-69.6171.3166.300111.7K221 T227 L260 F307K221-E225 WeakPolarHBondContact CE-OE1 3.23Å; K221-E225 WeakPolarHBondContact CE-OE2 3.37Å; K221-E225 IonicContact NZ-OE1 3.94Å; K221-E225 PolarHBondContact O-N 2.98Å; K221-E225 VanDerWaalsContact O-N 3.14Å; E225-T227 PolarHBondContact O-N 2.98Å; E225-L260 WeakPolarHBondContact O-CD2 3.46Å; E225-F307 WeakPolarHBondContact OE2-CD1 3.21Å; E225-F307 WeakPolarHBondContact OE2-CE1 2.77Å
226N84.3Confident79.3Confident1 Ų167.2 Ų67.21%0.00532%0.316CS..THydrogen-bonded Turntrans-98.540.6-174.7-55.4-20.1000114.1F189 L190 S191 L222 L260 T308F189-N226 WeakPolarHBondContact O-CB 3.26Å; F189-N226 PolarHBondContact O-ND2 2.91Å; L190-N226 WeakPolarHBondContact CA-O 3.26Å; L190-N226 HydrophobicContact CD1-CB 4.21Å; S191-N226 PolarHBondContact N-O 3.23Å; L222-N226 VanDerWaalsContact CD2-ND2 3.34Å; L222-N226 WeakPolarHBondContact CD2-ND2 3.2Å; L222-N226 WeakPolarHBondContact O-CA 3.38Å; L222-N226 WeakPolarHBondContact O-CB 3.38Å; L222-N226 PolarHBondContact O-N 3.12Å; N226-L260 HydrophobicContact CB-CD2 4.18Å; N226-T308 WeakPolarHBondContact ND2-CG2 3.09Å
227T87.6Confident79.9Confident3 Ų373.3 Ų73.32%0.01835%0.347CS..EExtended strand (participates in β ladder)trans-107.5123171-67.70000111S191 E193 K223 E225 R229 N245S191-T227 WeakPolarHBondContact CB-OG1 3.25Å; S191-T227 CarbonylContact O-C 3.59Å; S191-T227 WeakPolarHBondContact O-CA 3.21Å; E193-T227 HydrophobicContact CB-CG2 4.39Å; E193-T227 HydrophobicContact CG-CG2 3.72Å; E193-T227 WeakPolarHBondContact OE1-CG2 3.5Å; K223-T227 WeakPolarHBondContact O-CB 3.45Å; K223-T227 PolarHBondContact O-OG1 3.3Å; E225-T227 PolarHBondContact O-N 2.98Å; T227-R229 HydrophobicContact CG2-CG 3.73Å; T227-R229 PolarHBondContact O-N 3.16Å; T227-N245 PolarHBondContact O-ND2 2.56Å
228I91.7Very high80.7Confident22 Ų2269.3 Ų69.311%0.11335%0.35CS..EExtended strand (participates in β ladder)trans-73.1122.8169.9-63.9162.3000108.1M186 L190 S191 V192 E193 A246 L258 L260M186-I228 HydrophobicContact CE-CD1 4.42Å; L190-I228 HydrophobicContact CD1-CD1 4.3Å; L190-I228 HydrophobicContact CD1-CG1 4.33Å; L190-I228 HydrophobicContact CD2-CD1 4.05Å; L190-I228 HydrophobicContact CG-CD1 4.26Å; S191-I228 PolarHBondContact O-N 2.74Å; V192-I228 WeakPolarHBondContact CA-O 3.22Å; V192-I228 HydrophobicContact CB-CB 4.4Å; V192-I228 HydrophobicContact CG1-CB 4.44Å; V192-I228 HydrophobicContact CG1-CG2 4.42Å; V192-I228 HydrophobicContact CG2-CB 3.9Å; V192-I228 HydrophobicContact CG2-CD1 3.69Å; V192-I228 HydrophobicContact CG2-CG1 4.31Å; V192-I228 HydrophobicContact CG2-CG2 4.44Å; E193-I228 PolarHBondContact N-O 3.29Å; I228-A246 HydrophobicContact CB-CB 4.36Å; I228-A246 HydrophobicContact CG1-CB 3.93Å; I228-A246 HydrophobicContact CG2-CB 3.81Å; I228-L258 HydrophobicContact CD1-CD2 4.09Å; I228-L260 HydrophobicContact CB-CD1 4.27Å; I228-L260 HydrophobicContact CG1-CD1 3.5Å; I228-L260 VanDerWaalsContact CG1-CD1 3.5Å
229R91.4Very high81.6Confident39 Ų3973.2 Ų73.215%0.14737%0.365CS..EExtended strand (participates in β ladder)trans-135150.6-178.5-53.1-174.7-173.9135.511.1109.8E193 F197 V224 T227 N245E193-R229 HydrophobicContact CB-CG 4.22Å; E193-R229 HydrophobicContact CG-CG 4.28Å; E193-R229 WeakPolarHBondContact OE1-CD 3.47Å; E193-R229 IonicContact OE1-CZ 3.08Å; E193-R229 IonicContact OE1-NE 3.6Å; E193-R229 PolarHBondContact OE1-NE 3.48Å; E193-R229 IonicContact OE1-NH2 3.72Å; E193-R229 VanDerWaalsContact OE2-CD 3.24Å; E193-R229 WeakPolarHBondContact OE2-CD 3.3Å; E193-R229 WeakPolarHBondContact OE2-CG 3.18Å; E193-R229 IonicContact OE2-NE 2.73Å; F197-R229 HydrophobicContact CB-CB 4.25Å; V224-R229 PolarHBondContact O-NH2 3.03Å; T227-R229 HydrophobicContact CG2-CG 3.73Å; T227-R229 PolarHBondContact O-N 3.16Å; R229-N245 PolarHBondContact N-OD1 3.34Å; R229-N245 PolarHBondContact O-N 3.16Å; R229-N245 VanDerWaalsContact O-N 3.12Å; R229-N245 PolarHBondContact O-OD1 2.83Å
230W92.6Very high82.3Confident87 Ų8773.1 Ų73.133%0.3337%0.372SS..EExtended strand (participates in β ladder)trans-128.6146.217468.9-75000109.2T194 R195 P196 F197 I232 E243T194-W230 PolarHBondContact O-NE1 2.78Å; R195-W230 PolarHBondContact O-NE1 3.35Å; P196-W230 CarbonylContact C-O 3.58Å; P196-W230 VanDerWaalsContact CA-O 3.3Å; P196-W230 WeakPolarHBondContact CA-O 3.39Å; P196-W230 HydrophobicContact CB-CD2 4.38Å; P196-W230 HydrophobicContact CB-CE3 4.33Å; P196-W230 HydrophobicContact CB-CH2 3.88Å; P196-W230 HydrophobicContact CB-CZ2 3.89Å; P196-W230 HydrophobicContact CB-CZ3 4.1Å; P196-W230 HydrophobicContact CG-CH2 4.25Å; P196-W230 HydrophobicContact CG-CZ2 4.2Å; F197-W230 WeakPolarHBondContact CB-O 3.44Å; F197-W230 PolarHBondContact N-O 2.79Å; W230-I232 HydrophobicContact CE3-CG1 4.39Å; W230-I232 HydrophobicContact CH2-CD1 4.42Å; W230-I232 HydrophobicContact CH2-CG1 4.49Å; W230-I232 HydrophobicContact CZ3-CD1 4.1Å; W230-I232 HydrophobicContact CZ3-CG1 3.74Å; W230-E243 CarbonylContact C-O 3.59Å; W230-E243 WeakPolarHBondContact CA-O 3.43Å
231R92.2Very high83.4Confident116 Ų11675.2 Ų75.244%0.43838%0.383SS..EExtended strand (participates in β ladder)trans-131.3160.8175.868.3179.5-174.9-174.80.4110.4F197 E243F197-R231 HydrophobicContact CB-CB 4.27Å; F197-R231 WeakPolarHBondContact O-CB 3.02Å; R231-E243 HydrophobicContact CG-CB 3.97Å; R231-E243 IonicContact CZ-OE2 3.16Å; R231-E243 PolarHBondContact N-O 3.11Å; R231-E243 IonicContact NE-OE2 2.65Å; R231-E243 PolarHBondContact NE-OE2 2.95Å; R231-E243 IonicContact NH2-OE2 2.91Å; R231-E243 PolarHBondContact NH2-OE2 2.9Å; R231-E243 PolarHBondContact O-N 2.73Å
232I89.7Confident84.4Confident80 Ų8077.3 Ų77.341%0.4139%0.393SS..EExtended strand (participates in β ladder)trans-99.399.9173.7-53.1176.3000107.1P196 W230 M240 I241P196-I232 HydrophobicContact CB-CD1 4.44Å; P196-I232 HydrophobicContact CB-CG1 4.33Å; W230-I232 HydrophobicContact CE3-CG1 4.39Å; W230-I232 HydrophobicContact CH2-CD1 4.42Å; W230-I232 HydrophobicContact CH2-CG1 4.49Å; W230-I232 HydrophobicContact CZ3-CD1 4.1Å; W230-I232 HydrophobicContact CZ3-CG1 3.74Å; I232-M240 HydrophobicContact CG2-CB 3.97Å; I232-M240 HydrophobicContact CG2-CG 4.3Å; I232-M240 HydrophobicContact CG2-SD 4.36Å; I232-I241 CarbonylContact C-O 3.53Å
233G86.2Confident85.3Confident13 Ų1380.1 Ų80.113%0.13441%0.406CS..EExtended strand (participates in β ladder)trans-80.8156.8173.200000111.5M240 I241G233-M240 CarbonylContact O-C 3.42Å; G233-M240 WeakPolarHBondContact O-CA 3.21Å; G233-I241 PolarHBondContact N-O 3.23Å; G233-I241 PolarHBondContact O-N 3.07Å
234K87.1Confident86.2Confident177 Ų17778.4 Ų78.477%0.7741%0.406SS*.EExtended strand (participates in β ladder)trans-115.1118.3170.7-67.5-179.3-179.7178.60108.7E239K234-E239 WeakPolarHBondContact CA-O 3.35Å
235T84.4Confident87.3Confident34 Ų3479 Ų7921%0.20941%0.407CS..  trans-64.5154.8172.9-53.10000109.6D237 G238 E239 I241T235-D237 HydrophobicContact CG2-CB 4.27Å; T235-D237 PolarHBondContact O-N 3.46Å; T235-G238 PolarHBondContact O-N 3.41Å; T235-E239 PolarHBondContact N-O 3.38Å; T235-E239 PolarHBondContact OG1-O 3.37Å; T235-I241 WeakPolarHBondContact OG1-CD1 3.23Å; T235-I241 VanDerWaalsContact OG1-CG1 3.31Å; T235-I241 WeakPolarHBondContact OG1-CG1 3.12Å
236P81.6Confident87.9Confident131 Ų13175.7 Ų75.785%0.85139%0.392SS*.THydrogen-bonded Turntrans-50.5-26.2169.618.8-34.4000114.1G238P236-G238 VanDerWaalsContact C-N 3.27Å; P236-G238 PolarHBondContact O-N 3.27Å
237D81.4Confident88.3Confident136 Ų13684.8 Ų84.873%0.72743%0.426SS*.THydrogen-bonded Turntrans-82.51.7178-54.6-46.7000113.8T235 E239T235-D237 HydrophobicContact CG2-CB 4.27Å; T235-D237 PolarHBondContact O-N 3.46Å; D237-E239 VanDerWaalsContact C-N 3.32Å; D237-E239 PolarHBondContact O-N 3.31Å
238G82.5Confident88.5Confident58 Ų5886.5 Ų86.560%0.59844%0.435SS*.SBendtrans83.7-0.7176.900000115.2T235 P236T235-G238 PolarHBondContact O-N 3.41Å; P236-G238 VanDerWaalsContact C-N 3.27Å; P236-G238 PolarHBondContact O-N 3.27Å
239E84.7Confident88.6Confident134 Ų13487.7 Ų87.763%0.62644%0.444SS*.  trans-73.7139.7174.9-64.2-171.7165.400111.7K234 T235 D237K234-E239 WeakPolarHBondContact CA-O 3.35Å; T235-E239 PolarHBondContact N-O 3.38Å; T235-E239 PolarHBondContact OG1-O 3.37Å; D237-E239 VanDerWaalsContact C-N 3.32Å; D237-E239 PolarHBondContact O-N 3.31Å
240M84.4Confident88.7Confident141 Ų14191.5 Ų91.570%0.69546%0.458SS*.EExtended strand (participates in β ladder)trans-84.6112.6175.8-67.5-172.6-68.600109.2I232 G233I232-M240 HydrophobicContact CG2-CB 3.97Å; I232-M240 HydrophobicContact CG2-CG 4.3Å; I232-M240 HydrophobicContact CG2-SD 4.36Å; G233-M240 CarbonylContact O-C 3.42Å; G233-M240 WeakPolarHBondContact O-CA 3.21Å
241I89.5Confident88.8Confident73 Ų7393.1 Ų93.137%0.37446%0.464SS..EExtended strand (participates in β ladder)trans-105.8134.1177.8-62.7-173.3000109.3I232 G233 T235 E243I232-I241 CarbonylContact C-O 3.53Å; G233-I241 PolarHBondContact N-O 3.23Å; G233-I241 PolarHBondContact O-N 3.07Å; T235-I241 WeakPolarHBondContact OG1-CD1 3.23Å; T235-I241 VanDerWaalsContact OG1-CG1 3.31Å; T235-I241 WeakPolarHBondContact OG1-CG1 3.12Å; I241-E243 HydrophobicContact CG2-CG 4.27Å; I241-E243 PolarHBondContact O-N 3.39Å
242H88.9Confident88.9Confident136 Ų13694.2 Ų94.263%0.6349%0.489SS*.EExtended strand (participates in β ladder)trans-80.7116.2169.5-60.5152000109.5
243E91Very high89.1Confident79 Ų7996.1 Ų96.137%0.36950%0.501SS..EExtended strand (participates in β ladder)trans-106.3131.2176.7-63.7-177161.900109.3W230 R231 I241W230-E243 CarbonylContact C-O 3.59Å; W230-E243 WeakPolarHBondContact CA-O 3.43Å; R231-E243 HydrophobicContact CG-CB 3.97Å; R231-E243 IonicContact CZ-OE2 3.16Å; R231-E243 PolarHBondContact N-O 3.11Å; R231-E243 IonicContact NE-OE2 2.65Å; R231-E243 PolarHBondContact NE-OE2 2.95Å; R231-E243 IonicContact NH2-OE2 2.91Å; R231-E243 PolarHBondContact NH2-OE2 2.9Å; R231-E243 PolarHBondContact O-N 2.73Å; I241-E243 HydrophobicContact CG2-CG 4.27Å; I241-E243 PolarHBondContact O-N 3.39Å
244S91.1Very high89.3Confident56 Ų5698.2 Ų98.239%0.39252%0.522SS..EExtended strand (participates in β ladder)trans-114.8138.3175.81720000109.2A246S244-A246 PolarHBondContact O-N 3.46Å; S244-A246 PolarHBondContact OG-N 3.32Å; S244-A246 VanDerWaalsContact OG-N 3.12Å; S244-A246 PolarHBondContact OG-O 2.92Å
245N91.4Very high89.5Confident69 Ų6992.2 Ų92.237%0.36950%0.502SS..SBendtrans-73.5-16.1171.471.5-19.9000112.7T227 R229T227-N245 PolarHBondContact O-ND2 2.56Å; R229-N245 PolarHBondContact N-OD1 3.34Å; R229-N245 PolarHBondContact O-N 3.16Å; R229-N245 VanDerWaalsContact O-N 3.12Å; R229-N245 PolarHBondContact O-OD1 2.83Å
246A92.6Very high90Very high4 Ų491.7 Ų91.73%0.03350%0.498CS..EExtended strand (participates in β ladder)trans-107.8139.3-176.400000111.3I228 S244 L258 H259 L260I228-A246 HydrophobicContact CB-CB 4.36Å; I228-A246 HydrophobicContact CG1-CB 3.93Å; I228-A246 HydrophobicContact CG2-CB 3.81Å; S244-A246 PolarHBondContact O-N 3.46Å; S244-A246 PolarHBondContact OG-N 3.32Å; S244-A246 VanDerWaalsContact OG-N 3.12Å; S244-A246 PolarHBondContact OG-O 2.92Å; A246-L258 HydrophobicContact CB-CD1 4.16Å; A246-H259 CarbonylContact C-O 3.59Å; A246-H259 VanDerWaalsContact CA-O 3.32Å; A246-H259 WeakPolarHBondContact CA-O 3.4Å; A246-L260 HydrophobicContact CB-CD1 3.57Å
247R92.1Very high90.5Very high192 Ų19285.5 Ų85.573%0.72546%0.458SS*.EExtended strand (participates in β ladder)trans-133.3136.8174.5-73.2-178.4155.9162.7-4.9110.8H259R247-H259 PolarHBondContact N-O 2.88Å; R247-H259 PolarHBondContact O-N 3.16Å
248I92.7Very high91.1Very high40 Ų4079.1 Ų79.121%0.20542%0.424CS..EExtended strand (participates in β ladder)trans-94.8120.1170-63.5178.8000108M1 L256 S257 L258 I267M1-I248 HydrophobicContact CE-CD1 4.37Å; M1-I248 HydrophobicContact CE-CG1 4.45Å; M1-I248 HydrophobicContact SD-CD1 3.41Å; M1-I248 WeakPolarHBondContact SD-CD1 3.49Å; M1-I248 HydrophobicContact SD-CG1 4.1Å; I248-L256 HydrophobicContact CG2-CD2 4Å; I248-S257 CarbonylContact C-O 3.57Å; I248-S257 WeakPolarHBondContact CA-O 3.33Å; I248-L258 HydrophobicContact CG1-CD1 3.84Å; I248-I267 HydrophobicContact CB-CD1 4.48Å; I248-I267 HydrophobicContact CD1-CD1 4.15Å; I248-I267 HydrophobicContact CG1-CD1 3.99Å; I248-I267 HydrophobicContact CG2-CD1 3.86Å
249V93.5Very high91.6Very high47 Ų4778.8 Ų78.829%0.28541%0.407SS..EExtended strand (participates in β ladder)trans-102.1131.2175.7-178.50000108.3W251 L256 S257V249-W251 HydrophobicContact CG1-CD2 4.18Å; V249-W251 HydrophobicContact CG1-CH2 4.41Å; V249-W251 HydrophobicContact CG1-CZ2 4.03Å; V249-L256 CarbonylContact O-C 3.59Å; V249-L256 WeakPolarHBondContact O-CA 3.06Å; V249-S257 PolarHBondContact N-O 3.41Å; V249-S257 PolarHBondContact O-N 2.82Å
250R94.1Very high91.9Very high118 Ų11872.6 Ų72.645%0.44538%0.378SS..EExtended strand (participates in β ladder)trans-103.6119.5170.2173.1171.329.4-84.1-21.7108.4Y5 L256Y5-R250 PolarHBondContact OH-NE 2.99Å; Y5-R250 PolarHBondContact OH-NH1 3.34Å; Y5-R250 PolarHBondContact OH-NH2 3.46Å; R250-L256 HydrophobicContact CB-CD2 3.67Å; R250-L256 HydrophobicContact CG-CD2 4.13Å
251W94.7Very high91.9Very high121 Ų12169 Ų6946%0.45838%0.377SS..PPolyproline II helixtrans-83159.2179.6-59.6100.2000110.3V249 D253 G254 S255 S257 H259V249-W251 HydrophobicContact CG1-CD2 4.18Å; V249-W251 HydrophobicContact CG1-CH2 4.41Å; V249-W251 HydrophobicContact CG1-CZ2 4.03Å; W251-D253 WeakPolarHBondContact CB-OD1 3.29Å; W251-D253 PolarHBondContact O-N 3.5Å; W251-G254 PolarHBondContact O-N 3.49Å; W251-S255 WeakPolarHBondContact CB-OG 3.35Å; W251-S255 VanDerWaalsContact CD1-OG 3.31Å; W251-S255 PolarHBondContact N-O 3.24Å; W251-S257 PolarHBondContact NE1-OG 2.96Å; W251-H259 AromaticContact CZ2-NE2 3.76Å
252S93.5Very high91.7Very high139 Ų13972.2 Ų72.297%0.97240%0.395SS*.THydrogen-bonded Turntrans-64.9-18.6-178.650.10000113.6G254S252-G254 VanDerWaalsContact C-N 3.26Å
253D93.1Very high91.6Very high121 Ų12166.7 Ų66.765%0.64737%0.369SS*.THydrogen-bonded Turntrans-81.6-2.317468-7.9000113.3W251 S255W251-D253 WeakPolarHBondContact CB-OD1 3.29Å; W251-D253 PolarHBondContact O-N 3.5Å; D253-S255 VanDerWaalsContact C-N 3.31Å; D253-S255 VanDerWaalsContact CG-OG 3.29Å; D253-S255 VanDerWaalsContact OD1-CB 3.25Å; D253-S255 WeakPolarHBondContact OD1-CB 3.48Å; D253-S255 PolarHBondContact OD1-N 2.93Å; D253-S255 PolarHBondContact OD1-OG 2.81Å; D253-S255 PolarHBondContact OD2-OG 3.46Å
254G90.6Very high91.6Very high56 Ų5665.9 Ų65.958%0.57737%0.367SS*.SBendtrans85.1-2.1-177.100000114.3W251 S252W251-G254 PolarHBondContact O-N 3.49Å; S252-G254 VanDerWaalsContact C-N 3.26Å
255S92.3Very high91.7Very high51 Ų5163.2 Ų63.236%0.35735%0.348SS..  trans-71.4157.717172.80000111W251 D253W251-S255 WeakPolarHBondContact CB-OG 3.35Å; W251-S255 VanDerWaalsContact CD1-OG 3.31Å; W251-S255 PolarHBondContact N-O 3.24Å; D253-S255 VanDerWaalsContact C-N 3.31Å; D253-S255 VanDerWaalsContact CG-OG 3.29Å; D253-S255 VanDerWaalsContact OD1-CB 3.25Å; D253-S255 WeakPolarHBondContact OD1-CB 3.48Å; D253-S255 PolarHBondContact OD1-N 2.93Å; D253-S255 PolarHBondContact OD1-OG 2.81Å; D253-S255 PolarHBondContact OD2-OG 3.46Å
256L93.4Very high91.7Very high24 Ų2462.2 Ų62.213%0.12634%0.343CS..EExtended strand (participates in β ladder)trans-125.4133.4-178.9-71.3164.1000108.4I248 V249 R250 I267I248-L256 HydrophobicContact CG2-CD2 4Å; V249-L256 CarbonylContact O-C 3.59Å; V249-L256 WeakPolarHBondContact O-CA 3.06Å; R250-L256 HydrophobicContact CB-CD2 3.67Å; R250-L256 HydrophobicContact CG-CD2 4.13Å; L256-I267 HydrophobicContact CB-CB 3.81Å; L256-I267 HydrophobicContact CB-CD1 4.26Å; L256-I267 HydrophobicContact CB-CG1 4.37Å; L256-I267 HydrophobicContact CB-CG2 4.47Å; L256-I267 WeakPolarHBondContact O-CA 3.47Å; L256-I267 WeakPolarHBondContact O-CB 2.73Å; L256-I267 PolarHBondContact O-N 3.06Å
257S93.8Very high91.8Very high1 Ų162.4 Ų62.41%0.00734%0.343CS..EExtended strand (participates in β ladder)trans-123.7147.4170.465.20000110.9I248 V249 W251 H259 F265I248-S257 CarbonylContact C-O 3.57Å; I248-S257 WeakPolarHBondContact CA-O 3.33Å; V249-S257 PolarHBondContact N-O 3.41Å; V249-S257 PolarHBondContact O-N 2.82Å; W251-S257 PolarHBondContact NE1-OG 2.96Å; S257-H259 PolarHBondContact OG-CD2 2.81Å; S257-H259 VanDerWaalsContact OG-CD2 3.3Å; S257-H259 PolarHBondContact OG-NE2 3.22Å; S257-H259 VanDerWaalsContact OG-NE2 3.12Å; S257-F265 CarbonylContact C-O 3.59Å; S257-F265 VanDerWaalsContact CA-O 3.23Å; S257-F265 WeakPolarHBondContact CA-O 3.4Å
258L92.9Very high91.8Very high2 Ų256.9 Ų56.91%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-100.1117.8169.6179.371.7000107.9L190 I228 A246 I248 I264 F265 I267 F299L190-L258 HydrophobicContact CD1-CD2 4.39Å; L190-L258 HydrophobicContact CD2-CD2 3.93Å; I228-L258 HydrophobicContact CD1-CD2 4.09Å; A246-L258 HydrophobicContact CB-CD1 4.16Å; I248-L258 HydrophobicContact CG1-CD1 3.84Å; L258-I264 WeakPolarHBondContact O-CA 3.35Å; L258-F265 HydrophobicContact CB-CB 4.26Å; L258-F265 HydrophobicContact CD2-CD2 4.17Å; L258-F265 PolarHBondContact N-O 3.46Å; L258-F265 PolarHBondContact O-N 2.9Å; L258-I267 HydrophobicContact CB-CD1 3.89Å; L258-I267 HydrophobicContact CB-CG1 4.05Å; L258-F299 HydrophobicContact CB-CD1 4.1Å; L258-F299 HydrophobicContact CB-CE1 3.95Å; L258-F299 HydrophobicContact CD2-CD1 3.86Å; L258-F299 HydrophobicContact CD2-CE1 3.7Å; L258-F299 HydrophobicContact CG-CE1 4.31Å
259H92.8Very high91.7Very high51 Ų5159.6 Ų59.624%0.23634%0.336CS..EExtended strand (participates in β ladder)trans-94.7121.8170.8-72.4-119.9000108.2A246 R247 W251 S257A246-H259 CarbonylContact C-O 3.59Å; A246-H259 VanDerWaalsContact CA-O 3.32Å; A246-H259 WeakPolarHBondContact CA-O 3.4Å; R247-H259 PolarHBondContact N-O 2.88Å; R247-H259 PolarHBondContact O-N 3.16Å; W251-H259 AromaticContact CZ2-NE2 3.76Å; S257-H259 PolarHBondContact OG-CD2 2.81Å; S257-H259 VanDerWaalsContact OG-CD2 3.3Å; S257-H259 PolarHBondContact OG-NE2 3.22Å; S257-H259 VanDerWaalsContact OG-NE2 3.12Å
260L90.8Very high91.6Very high4 Ų460.7 Ų60.72%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-128.997.6178.8-169.388.4000108.4L190 E225 N226 I228 A246 D262 E263 F265L190-L260 HydrophobicContact CD1-CD2 4.01Å; E225-L260 WeakPolarHBondContact O-CD2 3.46Å; N226-L260 HydrophobicContact CB-CD2 4.18Å; I228-L260 HydrophobicContact CB-CD1 4.27Å; I228-L260 HydrophobicContact CG1-CD1 3.5Å; I228-L260 VanDerWaalsContact CG1-CD1 3.5Å; A246-L260 HydrophobicContact CB-CD1 3.57Å; L260-D262 PolarHBondContact O-N 2.79Å; L260-D262 VanDerWaalsContact O-N 3.15Å; L260-E263 PolarHBondContact N-O 3.43Å; L260-E263 PolarHBondContact O-N 3.09Å; L260-F265 HydrophobicContact CB-CE2 4.12Å; L260-F265 HydrophobicContact CD2-CE2 4.32Å
261G85.3Confident91.4Very high66 Ų6660.2 Ų60.268%0.6835%0.349SS*.THydrogen-bonded Turntrans59.7-117.9-171.300000111.4
262D85.4Confident90.9Very high140 Ų14055.7 Ų55.775%0.74933%0.333SS*.THydrogen-bonded Turntrans-91.7-12.8177.457.1-24.1000114.1L260L260-D262 PolarHBondContact O-N 2.79Å; L260-D262 VanDerWaalsContact O-N 3.15Å
263E87.5Confident90.1Very high19 Ų1957 Ų579%0.08932%0.324CS..EExtended strand (participates in β ladder)trans-94142.3179.8-75.1-71.2147.500112.4L260 F265 S306 F307 T308L260-E263 PolarHBondContact N-O 3.43Å; L260-E263 PolarHBondContact O-N 3.09Å; E263-F265 HydrophobicContact CB-CE2 4.15Å; E263-F265 HydrophobicContact CB-CZ 4.29Å; E263-S306 WeakPolarHBondContact OE2-CB 3.5Å; E263-F307 WeakPolarHBondContact OE1-CB 3.32Å; E263-F307 PolarHBondContact OE1-N 3.43Å; E263-T308 HydrophobicContact CG-CG2 4.19Å; E263-T308 PolarHBondContact OE2-OG1 3.05Å
264I91Very high88.9Confident63 Ų6356.1 Ų56.132%0.32333%0.327SS..EExtended strand (participates in β ladder)trans-122.2128.8-178.8-55.1173.5000109.3L258 H302L258-I264 WeakPolarHBondContact O-CA 3.35Å; I264-H302 HydrophobicContact CG2-CB 4.28Å; I264-H302 WeakPolarHBondContact O-CB 3.44Å; I264-H302 PolarHBondContact O-N 3.42Å
265F91.5Very high88Confident0 Ų058.2 Ų58.20%033%0.325CS..EExtended strand (participates in β ladder)trans-117.7135.5175.5-53.6-86.4000111F189 L190 S257 L258 L260 E263 R300 T308F189-F265 HydrophobicContact CD2-CD1 4.37Å; F189-F265 AromaticContact CD2-CE1 3.74Å; F189-F265 HydrophobicContact CD2-CE1 3.74Å; F189-F265 HydrophobicContact CD2-CZ 4.4Å; F189-F265 AromaticContact CE2-CD1 3.71Å; F189-F265 HydrophobicContact CE2-CD1 3.71Å; F189-F265 AromaticContact CE2-CE1 3.56Å; F189-F265 HydrophobicContact CE2-CE1 3.56Å; F189-F265 HydrophobicContact CE2-CZ 4.47Å; L190-F265 HydrophobicContact CD1-CE2 4.14Å; L190-F265 HydrophobicContact CD1-CZ 4.41Å; S257-F265 CarbonylContact C-O 3.59Å; S257-F265 VanDerWaalsContact CA-O 3.23Å; S257-F265 WeakPolarHBondContact CA-O 3.4Å; L258-F265 HydrophobicContact CB-CB 4.26Å; L258-F265 HydrophobicContact CD2-CD2 4.17Å; L258-F265 PolarHBondContact N-O 3.46Å; L258-F265 PolarHBondContact O-N 2.9Å; L260-F265 HydrophobicContact CB-CE2 4.12Å; L260-F265 HydrophobicContact CD2-CE2 4.32Å; E263-F265 HydrophobicContact CB-CE2 4.15Å; E263-F265 HydrophobicContact CB-CZ 4.29Å; F265-R300 CarbonylContact C-O 3.58Å; F265-R300 VanDerWaalsContact CA-O 3.28Å; F265-R300 WeakPolarHBondContact CA-O 3.45Å; F265-R300 WeakPolarHBondContact CB-O 3.3Å; F265-T308 HydrophobicContact CE1-CG2 3.84Å; F265-T308 HydrophobicContact CZ-CG2 3.8Å
266D93Very high87.3Confident47 Ų4764.2 Ų64.225%0.25134%0.341SS..EExtended strand (participates in β ladder)trans-76.1132.6169.9-75.4-17.1000110.8F299 R300 H302D266-F299 CarbonylContact O-C 3.55Å; D266-F299 WeakPolarHBondContact O-CA 3.47Å; D266-R300 PolarHBondContact N-O 3.34Å; D266-R300 PolarHBondContact O-N 2.79Å; D266-H302 IonicContact OD1-CD2 3.58Å; D266-H302 PolarHBondContact OD1-CD2 2.9Å; D266-H302 IonicContact OD1-CG 3.73Å; D266-H302 IonicContact OD2-CD2 3.25Å
267I94.3Very high86.9Confident9 Ų965.4 Ų65.45%0.04635%0.348CS..EExtended strand (participates in β ladder)trans-104.5113.9177.1-46.5-179.7000108.6I248 L256 L258 L297 T298 F299I248-I267 HydrophobicContact CB-CD1 4.48Å; I248-I267 HydrophobicContact CD1-CD1 4.15Å; I248-I267 HydrophobicContact CG1-CD1 3.99Å; I248-I267 HydrophobicContact CG2-CD1 3.86Å; L256-I267 HydrophobicContact CB-CB 3.81Å; L256-I267 HydrophobicContact CB-CD1 4.26Å; L256-I267 HydrophobicContact CB-CG1 4.37Å; L256-I267 HydrophobicContact CB-CG2 4.47Å; L256-I267 WeakPolarHBondContact O-CA 3.47Å; L256-I267 WeakPolarHBondContact O-CB 2.73Å; L256-I267 PolarHBondContact O-N 3.06Å; L258-I267 HydrophobicContact CB-CD1 3.89Å; L258-I267 HydrophobicContact CB-CG1 4.05Å; I267-L297 HydrophobicContact CG2-CB 3.86Å; I267-L297 HydrophobicContact CG2-CD1 4.19Å; I267-L297 HydrophobicContact CG2-CD2 3.79Å; I267-L297 HydrophobicContact CG2-CG 4.12Å; I267-T298 WeakPolarHBondContact CA-O 3.37Å; I267-F299 HydrophobicContact CB-CE1 4.48Å; I267-F299 HydrophobicContact CD1-CD1 4.38Å; I267-F299 HydrophobicContact CD1-CE1 3.71Å; I267-F299 HydrophobicContact CG1-CD1 3.79Å; I267-F299 HydrophobicContact CG1-CE1 3.62Å; I267-F299 HydrophobicContact CG2-CE1 4.24Å
268H92.1Very high86.5Confident76 Ų7671.3 Ų71.335%0.35237%0.371SS..EExtended strand (participates in β ladder)trans-94.7122.4169.4-62.8-68.6000110.6L297 T298 R300H268-L297 WeakPolarHBondContact O-CA 3.33Å; H268-T298 PolarHBondContact N-O 2.65Å; H268-T298 PolarHBondContact O-N 2.91Å; H268-T298 PolarHBondContact O-OG1 2.64Å; H268-R300 PolarHBondContact CD2-NH1 2.88Å; H268-R300 PolarHBondContact NE2-NH1 2.98Å; H268-R300 VanDerWaalsContact NE2-NH1 3.12Å
269K91.3Very high86.1Confident97 Ų9774.1 Ų74.142%0.42239%0.386SS..EExtended strand (participates in β ladder)trans-86.7120172.7-173.8173.2178.5168.10109.8E180 H182 L297E180-K269 IonicContact OE2-NZ 3.62Å; H182-K269 PolarHBondContact NE2-NZ 2.86Å; K269-L297 HydrophobicContact CB-CD2 3.87Å; K269-L297 HydrophobicContact CG-CD2 4.03Å
270V90.9Very high85.8Confident70 Ų7076.3 Ų76.342%0.42439%0.394SS..EExtended strand (participates in β ladder)trans-116118.9177.8-179.30000107.9I272 T295 K296V270-I272 PolarHBondContact O-N 3.18Å; V270-T295 CarbonylContact O-C 3.53Å; V270-K296 PolarHBondContact N-O 2.76Å; V270-K296 PolarHBondContact O-N 3.42Å
271D89.5Confident85.5Confident108 Ų10878.6 Ų78.658%0.57841%0.406SS*.EExtended strand (participates in β ladder)trans-75.9126.7177.9-65.6-21.1000110.1T295D271-T295 WeakPolarHBondContact OD1-CG2 3.2Å
272I84.9Confident85.5Confident25 Ų2585.2 Ų85.213%0.12841%0.411CS..  trans-112.398.2179-57.2-172.4000107.8V270 D275 K294 K296V270-I272 PolarHBondContact O-N 3.18Å; I272-D275 HydrophobicContact CG2-CB 3.57Å; I272-D275 VanDerWaalsContact CG2-CG 3.44Å; I272-D275 VanDerWaalsContact CG2-OD2 3.24Å; I272-D275 WeakPolarHBondContact CG2-OD2 3.31Å; I272-K294 CarbonylContact C-O 3.45Å; I272-K294 PolarHBondContact N-O 3.26Å; I272-K294 VanDerWaalsContact O-O 3.11Å; I272-K296 HydrophobicContact CD1-CB 3.3Å; I272-K296 HydrophobicContact CD1-CD 3.58Å; I272-K296 HydrophobicContact CD1-CG 4.08Å; I272-K296 HydrophobicContact CG1-CB 3.85Å
273Q75.4Confident85.2Confident168 Ų16882.1 Ų82.179%0.78539%0.392SS*.  trans-95.1-25.8176-65.3-174.8-12.200112.8
274S68.1Low84.6Confident102 Ų10284.4 Ų84.471%0.71342%0.42SS*.SBendtrans-80.4-25.6-173.1-82.60000115.4
275D71.7Confident83.9Confident100 Ų10086.7 Ų86.754%0.53544%0.442SS..SBendtrans-92.3-3.1-162.6-60.3-8.1000113.9I272 N277I272-D275 HydrophobicContact CG2-CB 3.57Å; I272-D275 VanDerWaalsContact CG2-CG 3.44Å; I272-D275 VanDerWaalsContact CG2-OD2 3.24Å; I272-D275 WeakPolarHBondContact CG2-OD2 3.31Å; D275-N277 VanDerWaalsContact CB-ND2 3.31Å; D275-N277 WeakPolarHBondContact CB-ND2 3.48Å; D275-N277 PolarHBondContact O-N 3.42Å; D275-N277 VanDerWaalsContact O-N 3.08Å
276Y77.2Confident83.1Confident176 Ų17687.1 Ų87.169%0.6945%0.447SS*.  trans39.251.3-176.1-63.7-75.5000112.9Y278Y276-Y278 WeakPolarHBondContact O-CD2 3.28Å; Y276-Y278 WeakPolarHBondContact O-CE2 3.41Å; Y276-Y278 PolarHBondContact O-N 3.3Å
277N84.7Confident82.7Confident49 Ų4990.2 Ų90.226%0.26246%0.462SS..EExtended strand (participates in β ladder)trans-74.9121.8-177.1-70.5-49.6000109.8D275 L293D275-N277 VanDerWaalsContact CB-ND2 3.31Å; D275-N277 WeakPolarHBondContact CB-ND2 3.48Å; D275-N277 PolarHBondContact O-N 3.42Å; D275-N277 VanDerWaalsContact O-N 3.08Å; N277-L293 HydrophobicContact CB-CB 3.94Å; N277-L293 HydrophobicContact CB-CD1 4.37Å; N277-L293 PolarHBondContact O-N 3.39Å
278Y85.9Confident82.1Confident126 Ų12691.5 Ų91.549%0.49447%0.468SS..EExtended strand (participates in β ladder)trans-117.3136.6175.6-61.5-82.5000109.9Y276 F280Y276-Y278 WeakPolarHBondContact O-CD2 3.28Å; Y276-Y278 WeakPolarHBondContact O-CE2 3.41Å; Y276-Y278 PolarHBondContact O-N 3.3Å; Y278-F280 VanDerWaalsContact CB-CZ 3.44Å; Y278-F280 HydrophobicContact CD2-CZ 4.38Å; Y278-F280 HydrophobicContact CG-CE2 4.35Å; Y278-F280 HydrophobicContact CG-CZ 4.11Å; Y278-F280 WeakPolarHBondContact O-CD2 3.47Å
279L85.5Confident81.6Confident61 Ų6190.2 Ų90.232%0.31948%0.476SS..EExtended strand (participates in β ladder)trans-83.1122.3170.8178.663.2000108.5L177 Q290 S291L177-L279 HydrophobicContact CD1-CD2 3.87Å; L177-L279 HydrophobicContact CD2-CD2 4Å; L279-Q290 HydrophobicContact CB-CB 4.49Å; L279-Q290 HydrophobicContact CD2-CB 4.24Å; L279-Q290 HydrophobicContact CG-CB 4.21Å; L279-Q290 PolarHBondContact O-N 3.31Å; L279-S291 PolarHBondContact N-O 2.94Å
280F85.8Confident81.1Confident96 Ų9687.6 Ų87.642%0.42147%0.465SS..EExtended strand (participates in β ladder)trans-120.9143.6174.9-59.4-84.4000111Y278 L287 Q288Y278-F280 VanDerWaalsContact CB-CZ 3.44Å; Y278-F280 HydrophobicContact CD2-CZ 4.38Å; Y278-F280 HydrophobicContact CG-CE2 4.35Å; Y278-F280 HydrophobicContact CG-CZ 4.11Å; Y278-F280 WeakPolarHBondContact O-CD2 3.47Å; F280-L287 HydrophobicContact CB-CD1 3.44Å; F280-L287 VanDerWaalsContact CB-CD1 3.44Å; F280-L287 HydrophobicContact CB-CD2 4.04Å; F280-L287 HydrophobicContact CB-CG 3.58Å; F280-L287 HydrophobicContact CD1-CD1 4.46Å; F280-L287 HydrophobicContact CD1-CD2 3.65Å; F280-L287 HydrophobicContact CD1-CG 3.62Å; F280-L287 HydrophobicContact CD2-CD2 4.01Å; F280-L287 HydrophobicContact CD2-CG 4.47Å; F280-L287 HydrophobicContact CE1-CD2 4.08Å; F280-L287 HydrophobicContact CE1-CG 4.45Å; F280-L287 HydrophobicContact CE2-CD2 4.33Å; F280-L287 HydrophobicContact CG-CD1 4.03Å; F280-L287 HydrophobicContact CG-CD2 3.64Å; F280-L287 HydrophobicContact CG-CG 3.66Å; F280-L287 HydrophobicContact CZ-CD2 4.4Å; F280-Q288 CarbonylContact C-O 3.46Å; F280-Q288 VanDerWaalsContact CA-O 3.23Å; F280-Q288 WeakPolarHBondContact CA-O 3.45Å
281I84.7Confident80.7Confident52 Ų5286.1 Ų86.127%0.26746%0.458SS..EExtended strand (participates in β ladder)trans-98.7122164.2-61.6179.7000106.9I173 Q288 Q290I173-I281 HydrophobicContact CB-CD1 4.24Å; I173-I281 HydrophobicContact CD1-CG2 4.07Å; I173-I281 HydrophobicContact CG2-CD1 3.81Å; I281-Q288 PolarHBondContact N-O 3.49Å; I281-Q288 PolarHBondContact O-N 2.93Å; I281-Q290 HydrophobicContact CB-CG 4.5Å; I281-Q290 HydrophobicContact CD1-CG 3.77Å; I281-Q290 VanDerWaalsContact CD1-NE2 3.27Å; I281-Q290 HydrophobicContact CG1-CG 3.66Å
282R84.3Confident80.5Confident206 Ų20683.5 Ų83.578%0.77745%0.448SS*.EExtended strand (participates in β ladder)trans-89.9116.8174.5-176.8179.4178.9176.30.9108.5L287R282-L287 HydrophobicContact CB-CD1 4.09Å
283E79.5Confident80.5Confident75 Ų7583.4 Ų83.435%0.3545%0.448SS..EExtended strand (participates in β ladder)trans-125.5110.7174.1-163.9-174.6176.200108.8F170 P171 S285 G286F170-E283 WeakPolarHBondContact CE1-O 3.37Å; P171-E283 WeakPolarHBondContact CD-OE2 3.35Å; P171-E283 WeakPolarHBondContact CG-OE1 3.06Å; P171-E283 WeakPolarHBondContact CG-OE2 3.31Å; E283-S285 PolarHBondContact O-N 3.12Å; E283-G286 PolarHBondContact N-O 3.18Å; E283-G286 VanDerWaalsContact N-O 3.12Å; E283-G286 PolarHBondContact O-N 3.04Å
284G75.2Confident81Confident67 Ų6782.4 Ų82.469%0.69144%0.441SS*.THydrogen-bonded Turntrans57.3-119.6-177.300000113.2
285S76.2Confident82Confident110 Ų11078.3 Ų78.377%0.76941%0.411SS*.THydrogen-bonded Turntrans-89.70.7176.760.60000113.9E283E283-S285 PolarHBondContact O-N 3.12Å
286G75.7Confident82.9Confident10 Ų1076.6 Ų76.610%0.10340%0.399CS..EExtended strand (participates in β ladder)trans-103.3150.4-179.200000113.4E283E283-G286 PolarHBondContact N-O 3.18Å; E283-G286 VanDerWaalsContact N-O 3.12Å; E283-G286 PolarHBondContact O-N 3.04Å
287L84Confident83.6Confident111 Ų11168.8 Ų68.858%0.58137%0.369SS*.EExtended strand (participates in β ladder)trans-121.3111.9168.9-165.370.9000108.5F280 R282F280-L287 HydrophobicContact CB-CD1 3.44Å; F280-L287 VanDerWaalsContact CB-CD1 3.44Å; F280-L287 HydrophobicContact CB-CD2 4.04Å; F280-L287 HydrophobicContact CB-CG 3.58Å; F280-L287 HydrophobicContact CD1-CD1 4.46Å; F280-L287 HydrophobicContact CD1-CD2 3.65Å; F280-L287 HydrophobicContact CD1-CG 3.62Å; F280-L287 HydrophobicContact CD2-CD2 4.01Å; F280-L287 HydrophobicContact CD2-CG 4.47Å; F280-L287 HydrophobicContact CE1-CD2 4.08Å; F280-L287 HydrophobicContact CE1-CG 4.45Å; F280-L287 HydrophobicContact CE2-CD2 4.33Å; F280-L287 HydrophobicContact CG-CD1 4.03Å; F280-L287 HydrophobicContact CG-CD2 3.64Å; F280-L287 HydrophobicContact CG-CG 3.66Å; F280-L287 HydrophobicContact CZ-CD2 4.4Å; R282-L287 HydrophobicContact CB-CD1 4.09Å
288Q80.6Confident84Confident36 Ų3668.3 Ų68.317%0.16837%0.368CS..EExtended strand (participates in β ladder)trans-98.1114.9179.2-171.7-172.3-16.600109.9I173 F280 I281 Q290I173-Q288 PolarHBondContact O-NE2 2.94Å; I173-Q288 VanDerWaalsContact O-NE2 3.12Å; F280-Q288 CarbonylContact C-O 3.46Å; F280-Q288 VanDerWaalsContact CA-O 3.23Å; F280-Q288 WeakPolarHBondContact CA-O 3.45Å; I281-Q288 PolarHBondContact N-O 3.49Å; I281-Q288 PolarHBondContact O-N 2.93Å; Q288-Q290 VanDerWaalsContact NE2-NE2 3.2Å; Q288-Q290 PolarHBondContact O-N 2.87Å
289G82Confident84.2Confident50 Ų5063.1 Ų63.152%0.51535%0.348SS..EExtended strand (participates in β ladder)trans-70.6122173.300000111.1
290Q81.8Confident84.4Confident42 Ų4266.9 Ų66.920%0.19636%0.358CS..EExtended strand (participates in β ladder)trans-97.6-51.1-179.7-67.8-66.8-2500112.1I173 L177 L279 I281 Q288I173-Q290 PolarHBondContact O-NE2 3.07Å; I173-Q290 PolarHBondContact O-OE1 3.22Å; L177-Q290 HydrophobicContact CD1-CB 3.84Å; L279-Q290 HydrophobicContact CB-CB 4.49Å; L279-Q290 HydrophobicContact CD2-CB 4.24Å; L279-Q290 HydrophobicContact CG-CB 4.21Å; L279-Q290 PolarHBondContact O-N 3.31Å; I281-Q290 HydrophobicContact CB-CG 4.5Å; I281-Q290 HydrophobicContact CD1-CG 3.77Å; I281-Q290 VanDerWaalsContact CD1-NE2 3.27Å; I281-Q290 HydrophobicContact CG1-CG 3.66Å; Q288-Q290 VanDerWaalsContact NE2-NE2 3.2Å; Q288-Q290 PolarHBondContact O-N 2.87Å
291S82.3Confident84.5Confident39 Ų3964 Ų6427%0.27335%0.349SS..EExtended strand (participates in β ladder)trans-160.5159.8-176.2-172.60000112L279L279-S291 PolarHBondContact N-O 2.94Å
292S85.4Confident84.6Confident53 Ų5366.5 Ų66.537%0.37136%0.359SS..EExtended strand (participates in β ladder)trans-93.9132.7170.453.10000110.3
293L84.5Confident84.5Confident23 Ų2358.7 Ų58.712%0.1234%0.337CS..EExtended strand (participates in β ladder)trans-94.3108179.5-59.9171.5000108.6V181 L183 N277V181-L293 HydrophobicContact CB-CD2 3.97Å; V181-L293 HydrophobicContact CG1-CD2 3.37Å; L183-L293 HydrophobicContact CB-CB 4.46Å; L183-L293 HydrophobicContact CB-CD1 4.19Å; L183-L293 HydrophobicContact CD1-CD1 4.09Å; N277-L293 HydrophobicContact CB-CB 3.94Å; N277-L293 HydrophobicContact CB-CD1 4.37Å; N277-L293 PolarHBondContact O-N 3.39Å
294K86.2Confident84.5Confident146 Ų14660.4 Ų60.464%0.63535%0.352SS*.  trans-92.5-21.6-178.3-63.2179.7-178.7177.40113.4I272I272-K294 CarbonylContact C-O 3.45Å; I272-K294 PolarHBondContact N-O 3.26Å; I272-K294 VanDerWaalsContact O-O 3.11Å
295T89.3Confident84.8Confident16 Ų1662.3 Ų62.310%0.09835%0.347CS..EExtended strand (participates in β ladder)trans-136.9144.9-167.962.50000109.8H182 L183 V270 D271H182-T295 PolarHBondContact CD2-OG1 3.45Å; H182-T295 PolarHBondContact NE2-OG1 2.83Å; L183-T295 PolarHBondContact N-O 3.3Å; V270-T295 CarbonylContact O-C 3.53Å; D271-T295 WeakPolarHBondContact OD1-CG2 3.2Å
296K90.8Very high85Confident64 Ų6457.7 Ų57.728%0.27831%0.314SS..EExtended strand (participates in β ladder)trans-117.5132.6176.2175.8178.1178.4-179.20110.4L183 V270 I272 T298L183-K296 HydrophobicContact CB-CB 4.32Å; L183-K296 HydrophobicContact CD2-CD 4.5Å; L183-K296 CarbonylContact O-C 3.47Å; L183-K296 WeakPolarHBondContact O-CA 3.32Å; L183-K296 WeakPolarHBondContact O-CG 3.42Å; V270-K296 PolarHBondContact N-O 2.76Å; V270-K296 PolarHBondContact O-N 3.42Å; I272-K296 HydrophobicContact CD1-CB 3.3Å; I272-K296 HydrophobicContact CD1-CD 3.58Å; I272-K296 HydrophobicContact CD1-CG 4.08Å; I272-K296 HydrophobicContact CG1-CB 3.85Å; K296-T298 HydrophobicContact CG-CG2 4.49Å
297L91.7Very high85.2Confident12 Ų1260.1 Ų60.16%0.06332%0.322CS..EExtended strand (participates in β ladder)trans-99136.2174.7-58.8177000109.3H182 L183 V184 I267 H268 K269H182-L297 HydrophobicContact CB-CD1 3.63Å; H182-L297 HydrophobicContact CB-CG 3.81Å; L183-L297 PolarHBondContact O-N 2.77Å; V184-L297 HydrophobicContact CG2-CB 3.97Å; V184-L297 HydrophobicContact CG2-CD1 4.18Å; I267-L297 HydrophobicContact CG2-CB 3.86Å; I267-L297 HydrophobicContact CG2-CD1 4.19Å; I267-L297 HydrophobicContact CG2-CD2 3.79Å; I267-L297 HydrophobicContact CG2-CG 4.12Å; H268-L297 WeakPolarHBondContact O-CA 3.33Å; K269-L297 HydrophobicContact CB-CD2 3.87Å; K269-L297 HydrophobicContact CG-CD2 4.03Å
298T92Very high85.1Confident39 Ų3954.9 Ų54.924%0.23929%0.294CS..EExtended strand (participates in β ladder)trans-124.3134.9172.759.50000109I267 H268 K296I267-T298 WeakPolarHBondContact CA-O 3.37Å; H268-T298 PolarHBondContact N-O 2.65Å; H268-T298 PolarHBondContact O-N 2.91Å; H268-T298 PolarHBondContact O-OG1 2.64Å; K296-T298 HydrophobicContact CG-CG2 4.49Å
299F91.3Very high85.3Confident18 Ų1855.9 Ų55.98%0.07930%0.299CS..EExtended strand (participates in β ladder)trans-100.6135.7-178.3-59.6-89.3000109.8V184 P187 L190 L258 D266 I267V184-F299 HydrophobicContact CB-CE2 4.37Å; V184-F299 HydrophobicContact CG1-CD2 4.35Å; V184-F299 HydrophobicContact CG1-CE2 3.51Å; V184-F299 HydrophobicContact CG1-CZ 4.36Å; V184-F299 HydrophobicContact CG2-CE2 4.01Å; V184-F299 HydrophobicContact CG2-CZ 4.25Å; P187-F299 HydrophobicContact CG-CB 4.21Å; L190-F299 HydrophobicContact CD2-CD1 4.42Å; L190-F299 HydrophobicContact CD2-CD2 4.24Å; L190-F299 HydrophobicContact CD2-CG 4.14Å; L258-F299 HydrophobicContact CB-CD1 4.1Å; L258-F299 HydrophobicContact CB-CE1 3.95Å; L258-F299 HydrophobicContact CD2-CD1 3.86Å; L258-F299 HydrophobicContact CD2-CE1 3.7Å; L258-F299 HydrophobicContact CG-CE1 4.31Å; D266-F299 CarbonylContact O-C 3.55Å; D266-F299 WeakPolarHBondContact O-CA 3.47Å; I267-F299 HydrophobicContact CB-CE1 4.48Å; I267-F299 HydrophobicContact CD1-CD1 4.38Å; I267-F299 HydrophobicContact CD1-CE1 3.71Å; I267-F299 HydrophobicContact CG1-CD1 3.79Å; I267-F299 HydrophobicContact CG1-CE1 3.62Å; I267-F299 HydrophobicContact CG2-CE1 4.24Å
300R89.1Confident85.3Confident140 Ų14060.4 Ų60.453%0.52830%0.301SS..EExtended strand (participates in β ladder)trans-131.8146.9174.3-65.1-171.3-179.1154.8-8.8109.6F265 D266 H268 H302F265-R300 CarbonylContact C-O 3.58Å; F265-R300 VanDerWaalsContact CA-O 3.28Å; F265-R300 WeakPolarHBondContact CA-O 3.45Å; F265-R300 WeakPolarHBondContact CB-O 3.3Å; D266-R300 PolarHBondContact N-O 3.34Å; D266-R300 PolarHBondContact O-N 2.79Å; H268-R300 PolarHBondContact CD2-NH1 2.88Å; H268-R300 PolarHBondContact NE2-NH1 2.98Å; H268-R300 VanDerWaalsContact NE2-NH1 3.12Å; R300-H302 PolarHBondContact O-N 3.45Å
301P88.4Confident85.2Confident34 Ų3459 Ų5922%0.22129%0.293CS..EExtended strand (participates in β ladder)trans-62.6131.5171.626.3-32.5000109.7S303 H309P301-S303 VanDerWaalsContact C-N 3.33Å; P301-S303 PolarHBondContact O-N 3.26Å; P301-H309 HydrophobicContact CB-CB 3.99Å; P301-H309 HydrophobicContact CG-CB 4.13Å
302H86.5Confident85.2Confident105 Ų10559.8 Ų59.849%0.48629%0.294SS..SBendtrans-64.3-36.9-175.4174.2-72.2000112.3I264 D266 R300I264-H302 HydrophobicContact CG2-CB 4.28Å; I264-H302 WeakPolarHBondContact O-CB 3.44Å; I264-H302 PolarHBondContact O-N 3.42Å; D266-H302 IonicContact OD1-CD2 3.58Å; D266-H302 PolarHBondContact OD1-CD2 2.9Å; D266-H302 IonicContact OD1-CG 3.73Å; D266-H302 IonicContact OD2-CD2 3.25Å; R300-H302 PolarHBondContact O-N 3.45Å
303S82.8Confident85.1Confident43 Ų4360.4 Ų60.430%0.30130%0.296SS..  trans-138.7158-173.1-67.60000112.8P301 D305 S306 H309P301-S303 VanDerWaalsContact C-N 3.33Å; P301-S303 PolarHBondContact O-N 3.26Å; S303-D305 VanDerWaalsContact C-N 3.25Å; S303-D305 WeakPolarHBondContact CB-OD1 3.46Å; S303-D305 PolarHBondContact O-N 3.17Å; S303-S306 WeakPolarHBondContact O-CB 3.49Å; S303-S306 PolarHBondContact O-N 3.49Å; S303-S306 PolarHBondContact O-OG 2.86Å; S303-H309 VanDerWaalsContact O-CB 3.26Å; S303-H309 WeakPolarHBondContact O-CB 3.3Å
304T79.1Confident84.8Confident110 Ų11064 Ų6468%0.67532%0.315SS*.THydrogen-bonded Turntrans-73.5-16.3176.453.30000113.8H309T304-H309 WeakPolarHBondContact CA-CD2 2.83Å; T304-H309 PolarHBondContact O-CD2 3.45Å; T304-H309 VanDerWaalsContact O-CD2 3.29Å
305D80.8Confident84.3Confident108 Ų10858.2 Ų58.258%0.57829%0.293SS*.THydrogen-bonded Turntrans-82.4-23.1175.662.5-6000113.1S303 R310S303-D305 VanDerWaalsContact C-N 3.25Å; S303-D305 WeakPolarHBondContact CB-OD1 3.46Å; S303-D305 PolarHBondContact O-N 3.17Å; D305-R310 PolarHBondContact O-NH2 3.32Å
306S80.7Confident83.7Confident12 Ų1262.6 Ų62.68%0.08432%0.315CS..SBendtrans-50.3140.518065.60000111.1E263 S303 T308 H309 R310E263-S306 WeakPolarHBondContact OE2-CB 3.5Å; S303-S306 WeakPolarHBondContact O-CB 3.49Å; S303-S306 PolarHBondContact O-N 3.49Å; S303-S306 PolarHBondContact O-OG 2.86Å; S306-T308 PolarHBondContact O-N 2.67Å; S306-T308 PolarHBondContact OG-OG1 3.37Å; S306-H309 PolarHBondContact O-N 3.43Å; S306-H309 VanDerWaalsContact O-N 3.17Å; S306-H309 WeakPolarHBondContact OG-CB 3.2Å; S306-H309 PolarHBondContact OG-N 2.87Å; S306-H309 VanDerWaalsContact OG-N 3.15Å; S306-R310 PolarHBondContact O-N 2.88Å
307F79.3Confident83.2Confident62 Ų6261.8 Ų61.827%0.27232%0.32SS..Hα-helixtrans-57.2-38.3-178-179.1-106000110.1K221 E225 E263 K311K221-F307 HydrophobicContact CD-CE1 3.96Å; K221-F307 HydrophobicContact CD-CZ 3.52Å; K221-F307 HydrophobicContact CG-CE1 3.99Å; K221-F307 HydrophobicContact CG-CZ 4.06Å; K221-F307 VanDerWaalsContact NZ-CZ 3.29Å; E225-F307 WeakPolarHBondContact OE2-CD1 3.21Å; E225-F307 WeakPolarHBondContact OE2-CE1 2.77Å; E263-F307 WeakPolarHBondContact OE1-CB 3.32Å; E263-F307 PolarHBondContact OE1-N 3.43Å; F307-K311 HydrophobicContact CD1-CD 4.28Å; F307-K311 HydrophobicContact CE1-CD 3.49Å; F307-K311 VanDerWaalsContact CE1-CD 3.49Å; F307-K311 HydrophobicContact CE2-CD 4.47Å; F307-K311 HydrophobicContact CZ-CD 3.58Å; F307-K311 WeakPolarHBondContact O-CB 2.97Å; F307-K311 PolarHBondContact O-N 2.89Å
308T82.8Confident82.3Confident0 Ų065.1 Ų65.10%034%0.338CS..Hα-helixtrans-65.6-47.7178.162.40000113L222 N226 E263 F265 S306 K311 I312L222-T308 HydrophobicContact CD2-CG2 4.17Å; N226-T308 WeakPolarHBondContact ND2-CG2 3.09Å; E263-T308 HydrophobicContact CG-CG2 4.19Å; E263-T308 PolarHBondContact OE2-OG1 3.05Å; F265-T308 HydrophobicContact CE1-CG2 3.84Å; F265-T308 HydrophobicContact CZ-CG2 3.8Å; S306-T308 PolarHBondContact O-N 2.67Å; S306-T308 PolarHBondContact OG-OG1 3.37Å; T308-K311 PolarHBondContact O-N 3.24Å; T308-I312 WeakPolarHBondContact O-CB 3.48Å; T308-I312 WeakPolarHBondContact O-CD1 3.18Å; T308-I312 WeakPolarHBondContact O-CG1 3.4Å; T308-I312 PolarHBondContact O-N 3.26Å
309H84.2Confident81.5Confident57 Ų5767.8 Ų67.826%0.26435%0.346SS..Hα-helixtrans-61.6-50177.3-178.987.2000111.4P301 S303 T304 S306 K311 I312 T313P301-H309 HydrophobicContact CB-CB 3.99Å; P301-H309 HydrophobicContact CG-CB 4.13Å; S303-H309 VanDerWaalsContact O-CB 3.26Å; S303-H309 WeakPolarHBondContact O-CB 3.3Å; T304-H309 WeakPolarHBondContact CA-CD2 2.83Å; T304-H309 PolarHBondContact O-CD2 3.45Å; T304-H309 VanDerWaalsContact O-CD2 3.29Å; S306-H309 PolarHBondContact O-N 3.43Å; S306-H309 VanDerWaalsContact O-N 3.17Å; S306-H309 WeakPolarHBondContact OG-CB 3.2Å; S306-H309 PolarHBondContact OG-N 2.87Å; S306-H309 VanDerWaalsContact OG-N 3.15Å; H309-K311 PolarHBondContact O-N 3.37Å; H309-I312 PolarHBondContact O-N 3Å; H309-T313 PolarHBondContact NE2-OG1 3.12Å; H309-T313 VanDerWaalsContact O-CB 3.3Å; H309-T313 WeakPolarHBondContact O-CB 3.41Å; H309-T313 PolarHBondContact O-N 3.22Å; H309-T313 PolarHBondContact O-OG1 2.96Å
310R83.5Confident80.5Confident146 Ų14670.1 Ų70.155%0.55136%0.362SS*.Hα-helixtrans-55.3-43.8-179.7-170.9-178.8-54.7173.89.3110.6D305 S306 T313 L314D305-R310 PolarHBondContact O-NH2 3.32Å; S306-R310 PolarHBondContact O-N 2.88Å; R310-T313 PolarHBondContact O-N 3Å; R310-L314 HydrophobicContact CG-CD1 4.14Å; R310-L314 WeakPolarHBondContact O-CB 3.16Å; R310-L314 WeakPolarHBondContact O-CG 3.08Å; R310-L314 PolarHBondContact O-N 2.52Å
311K79.4Confident79.4Confident11 Ų1169.5 Ų69.55%0.04837%0.37CS..Hα-helixtrans-73.4-40.1-176.4-169.1163.2178.4-165.30113.9T218 K221 L222 F307 T308 H309 T313 L314 S315T218-K311 HydrophobicContact CG2-CG 4.45Å; T218-K311 WeakPolarHBondContact O-CE 3.4Å; T218-K311 PolarHBondContact O-NZ 3.06Å; K221-K311 VanDerWaalsContact C-NZ 3.3Å; K221-K311 VanDerWaalsContact CG-NZ 3.34Å; L222-K311 HydrophobicContact CD1-CD 4.14Å; L222-K311 HydrophobicContact CD1-CG 4.12Å; L222-K311 HydrophobicContact CD2-CD 3.83Å; L222-K311 HydrophobicContact CD2-CG 4.41Å; L222-K311 HydrophobicContact CG-CD 3.69Å; L222-K311 HydrophobicContact CG-CG 4.22Å; F307-K311 HydrophobicContact CD1-CD 4.28Å; F307-K311 HydrophobicContact CE1-CD 3.49Å; F307-K311 VanDerWaalsContact CE1-CD 3.49Å; F307-K311 HydrophobicContact CE2-CD 4.47Å; F307-K311 HydrophobicContact CZ-CD 3.58Å; F307-K311 WeakPolarHBondContact O-CB 2.97Å; F307-K311 PolarHBondContact O-N 2.89Å; T308-K311 PolarHBondContact O-N 3.24Å; H309-K311 PolarHBondContact O-N 3.37Å; K311-T313 VanDerWaalsContact C-N 3.32Å; K311-L314 PolarHBondContact O-N 3.14Å; K311-S315 WeakPolarHBondContact O-CB 3.34Å; K311-S315 PolarHBondContact O-N 3.15Å
312I82Confident78.2Confident56 Ų5675.2 Ų75.229%0.28739%0.391SS..Hα-helixtrans-63-43.6172.5-67.8163.3000109.7F189 T308 H309 S315 L316F189-I312 HydrophobicContact CB-CD1 3.85Å; F189-I312 HydrophobicContact CB-CG1 4.35Å; F189-I312 HydrophobicContact CD1-CD1 3.46Å; F189-I312 VanDerWaalsContact CD1-CD1 3.46Å; F189-I312 HydrophobicContact CE1-CD1 4.12Å; F189-I312 HydrophobicContact CG-CD1 3.72Å; T308-I312 WeakPolarHBondContact O-CB 3.48Å; T308-I312 WeakPolarHBondContact O-CD1 3.18Å; T308-I312 WeakPolarHBondContact O-CG1 3.4Å; T308-I312 PolarHBondContact O-N 3.26Å; H309-I312 PolarHBondContact O-N 3Å; I312-S315 PolarHBondContact O-N 3.17Å; I312-L316 WeakPolarHBondContact O-CB 3.41Å; I312-L316 PolarHBondContact O-N 3.29Å
313T83.2Confident77Confident67 Ų6777.5 Ų77.541%0.41141%0.406SS..Hα-helixtrans-64.6-40.5178.3-63.30000111.7H309 R310 K311 L316 A317H309-T313 PolarHBondContact NE2-OG1 3.12Å; H309-T313 VanDerWaalsContact O-CB 3.3Å; H309-T313 WeakPolarHBondContact O-CB 3.41Å; H309-T313 PolarHBondContact O-N 3.22Å; H309-T313 PolarHBondContact O-OG1 2.96Å; R310-T313 PolarHBondContact O-N 3Å; K311-T313 VanDerWaalsContact C-N 3.32Å; T313-L316 PolarHBondContact O-N 3.19Å; T313-A317 WeakPolarHBondContact O-CB 3.09Å; T313-A317 PolarHBondContact O-N 2.95Å
314L78.8Confident75.9Confident99 Ų9982.6 Ų82.652%0.51843%0.425SS..Hα-helixtrans-62.7-49.7173.3-73.8169.4000111.7R310 K311 L316 A317 D318R310-L314 HydrophobicContact CG-CD1 4.14Å; R310-L314 WeakPolarHBondContact O-CB 3.16Å; R310-L314 WeakPolarHBondContact O-CG 3.08Å; R310-L314 PolarHBondContact O-N 2.52Å; K311-L314 PolarHBondContact O-N 3.14Å; L314-L316 VanDerWaalsContact C-N 3.28Å; L314-L316 PolarHBondContact O-N 3.25Å; L314-A317 WeakPolarHBondContact O-CB 3.37Å; L314-A317 PolarHBondContact O-N 3.47Å; L314-A317 VanDerWaalsContact O-N 3.12Å; L314-D318 PolarHBondContact O-N 2.87Å
315S74Confident74.9Confident24 Ų2485.9 Ų85.917%0.16843%0.43CS..Hα-helixtrans-61.7-36177.5-179.10000112.4K311 I312 K319K311-S315 WeakPolarHBondContact O-CB 3.34Å; K311-S315 PolarHBondContact O-N 3.15Å; I312-S315 PolarHBondContact O-N 3.17Å; S315-K319 VanDerWaalsContact O-CG 3.31Å; S315-K319 WeakPolarHBondContact O-CG 3.26Å; S315-K319 PolarHBondContact O-N 3.42Å
316L77.4Confident73.9Confident107 Ų10786.2 Ų86.256%0.5644%0.436SS*.Hα-helixtrans-69.4-41.1175.1-172.564.2000111.4I312 T313 L314 D318 K319 T320I312-L316 WeakPolarHBondContact O-CB 3.41Å; I312-L316 PolarHBondContact O-N 3.29Å; T313-L316 PolarHBondContact O-N 3.19Å; L314-L316 VanDerWaalsContact C-N 3.28Å; L314-L316 PolarHBondContact O-N 3.25Å; L316-D318 VanDerWaalsContact C-N 3.33Å; L316-D318 PolarHBondContact O-N 3.01Å; L316-K319 PolarHBondContact O-N 3.45Å; L316-T320 HydrophobicContact CD1-CG2 4.39Å; L316-T320 HydrophobicContact CG-CG2 4.39Å; L316-T320 VanDerWaalsContact O-CG2 3.28Å; L316-T320 WeakPolarHBondContact O-CG2 3.39Å; L316-T320 PolarHBondContact O-N 3.43Å; L316-T320 PolarHBondContact O-OG1 2.97Å
317A79.8Confident72.8Confident48 Ų4894 Ų9440%0.39747%0.468SS..Hα-helixtrans-60.8-42.3175.400000111.4T313 L314 K319 T320 N321T313-A317 WeakPolarHBondContact O-CB 3.09Å; T313-A317 PolarHBondContact O-N 2.95Å; L314-A317 WeakPolarHBondContact O-CB 3.37Å; L314-A317 PolarHBondContact O-N 3.47Å; L314-A317 VanDerWaalsContact O-N 3.12Å; A317-K319 VanDerWaalsContact C-N 3.33Å; A317-K319 PolarHBondContact O-N 3.27Å; A317-T320 PolarHBondContact O-N 2.96Å; A317-T320 PolarHBondContact O-OG1 3.08Å; A317-N321 VanDerWaalsContact O-CB 3.3Å; A317-N321 WeakPolarHBondContact O-CB 3.21Å; A317-N321 PolarHBondContact O-N 3.05Å
318D73.8Confident71.8Confident81 Ų8197.8 Ų97.843%0.43349%0.49SS..Hα-helixtrans-65.4-36.3178.1-66.6-30.2000112.5L314 L316 K322L314-D318 PolarHBondContact O-N 2.87Å; L316-D318 VanDerWaalsContact C-N 3.33Å; L316-D318 PolarHBondContact O-N 3.01Å; D318-K322 WeakPolarHBondContact O-CG 2.99Å; D318-K322 PolarHBondContact O-N 3.24Å
319K74.9Confident70.4Confident95 Ų95103.7 Ų103.741%0.41352%0.52SS..Hα-helixtrans-69.7-44176.3-74.6172-175.6170.40112.5E215 S315 L316 A317 N321 K322 L323E215-K319 WeakPolarHBondContact OE1-CE 3.32Å; E215-K319 IonicContact OE1-NZ 3.86Å; E215-K319 PolarHBondContact OE1-NZ 3.42Å; S315-K319 VanDerWaalsContact O-CG 3.31Å; S315-K319 WeakPolarHBondContact O-CG 3.26Å; S315-K319 PolarHBondContact O-N 3.42Å; L316-K319 PolarHBondContact O-N 3.45Å; A317-K319 VanDerWaalsContact C-N 3.33Å; A317-K319 PolarHBondContact O-N 3.27Å; K319-N321 VanDerWaalsContact C-N 3.33Å; K319-K322 PolarHBondContact O-N 2.78Å; K319-L323 PolarHBondContact O-N 2.82Å
320T70.6Confident68.9Low67 Ų67105 Ų10541%0.41153%0.534SS..Hα-helixtrans-69.6-34.9-17958.30000111.2L316 A317 K322 L323 Q324L316-T320 HydrophobicContact CD1-CG2 4.39Å; L316-T320 HydrophobicContact CG-CG2 4.39Å; L316-T320 VanDerWaalsContact O-CG2 3.28Å; L316-T320 WeakPolarHBondContact O-CG2 3.39Å; L316-T320 PolarHBondContact O-N 3.43Å; L316-T320 PolarHBondContact O-OG1 2.97Å; A317-T320 PolarHBondContact O-N 2.96Å; A317-T320 PolarHBondContact O-OG1 3.08Å; T320-K322 VanDerWaalsContact C-N 3.3Å; T320-K322 PolarHBondContact O-N 2.95Å; T320-L323 PolarHBondContact O-N 2.87Å; T320-Q324 PolarHBondContact O-N 2.99Å; T320-Q324 VanDerWaalsContact O-N 3.11Å
321N66Low67.3Low128 Ų128104.7 Ų104.768%0.68455%0.548SS*.Hα-helixtrans-65.8-32.1177.4-143.40.3000112.3A317 K319A317-N321 VanDerWaalsContact O-CB 3.3Å; A317-N321 WeakPolarHBondContact O-CB 3.21Å; A317-N321 PolarHBondContact O-N 3.05Å; K319-N321 VanDerWaalsContact C-N 3.33Å
322K62.3Low65.6Low154 Ų154109.3 Ų109.367%0.6758%0.577SS**Hα-helixtrans-74.8-27.3176.8-73.7175.7-174.9174.60113.7D318 K319 T320D318-K322 WeakPolarHBondContact O-CG 2.99Å; D318-K322 PolarHBondContact O-N 3.24Å; K319-K322 PolarHBondContact O-N 2.78Å; T320-K322 VanDerWaalsContact C-N 3.3Å; T320-K322 PolarHBondContact O-N 2.95Å
323L61.9Low63.9Low153 Ų153109.3 Ų109.380%0.80159%0.591SS**Hα-helixtrans-93.9-21.6-176.8-71.8164.3000113.5K319 T320 K325K319-L323 PolarHBondContact O-N 2.82Å; T320-L323 PolarHBondContact O-N 2.87Å; L323-K325 VanDerWaalsContact C-N 3.27Å; L323-K325 PolarHBondContact O-N 3.09Å
324Q60.2Low62.4Low150 Ų150109.2 Ų109.270%0.70160%0.597SS**  trans-90.847.6174.3-66.9-173.5-16.200112.6T320 V326T320-Q324 PolarHBondContact O-N 2.99Å; T320-Q324 VanDerWaalsContact O-N 3.11Å; Q324-V326 PolarHBondContact O-N 3.36Å
325K57.6Low61.1Low179 Ų179109.9 Ų109.978%0.77860%0.601SS**  trans-73.865.7152.6-75.2-176.8179.8175.10108.7L323 K327L323-K325 VanDerWaalsContact C-N 3.27Å; L323-K325 PolarHBondContact O-N 3.09Å; K325-K327 PolarHBondContact O-N 2.84Å
326V58.8Low60.4Low115 Ų115113.7 Ų113.770%0.69763%0.625SS**  trans-62.6102.6146.2178.60000103.3Q324 I328Q324-V326 PolarHBondContact O-N 3.36Å; V326-I328 HydrophobicContact CG1-CG1 4.1Å; V326-I328 PolarHBondContact O-N 3.4Å
327K58.1Low59.6Low174 Ų174115.7 Ų115.776%0.75763%0.632SS**  trans-61.288.1163.3-73.6-179.1177.9177.30105.4K325 L329K325-K327 PolarHBondContact O-N 2.84Å; K327-L329 HydrophobicContact CB-CD1 4.17Å; K327-L329 PolarHBondContact O-N 3.45Å
328I58.2Low58.7Low143 Ų143116.4 Ų116.473%0.73363%0.634SS**  trans-64.989.1151-55.5175000101.6V326 P330V326-I328 HydrophobicContact CG1-CG1 4.1Å; V326-I328 PolarHBondContact O-N 3.4Å; I328-P330 WeakPolarHBondContact O-CD 3.32Å
329L54Low58.1Low123 Ų123116.5 Ų116.564%0.64464%0.635SS**  trans-47.1120.4157.9-97.279.9000102.8K327 V331K327-L329 HydrophobicContact CB-CD1 4.17Å; K327-L329 PolarHBondContact O-N 3.45Å; L329-V331 PolarHBondContact O-N 3.4Å
330P52.9Low57.4Low86 Ų86120.1 Ų120.156%0.55865%0.646SS**  trans-49.5144163.524.6-31.5000104.9I328 T332I328-P330 WeakPolarHBondContact O-CD 3.32Å; P330-T332 HydrophobicContact CB-CG2 3.91Å; P330-T332 HydrophobicContact CG-CG2 3.54Å; P330-T332 PolarHBondContact O-N 3.43Å; P330-T332 PolarHBondContact O-OG1 3.45Å
331V48.7Very low57.3Low139 Ų139122.1 Ų122.184%0.84265%0.654SS**  trans-56.379.8166.7179.20000106.6L329L329-V331 PolarHBondContact O-N 3.4Å
332T44.8Very low57.5Low108 Ų108120.1 Ų120.166%0.66365%0.646SS**  trans-11396.8-177.840.90000105.1P330P330-T332 HydrophobicContact CB-CG2 3.91Å; P330-T332 HydrophobicContact CG-CG2 3.54Å; P330-T332 PolarHBondContact O-N 3.43Å; P330-T332 PolarHBondContact O-OG1 3.45Å
333G45.9Very low57.7Low56 Ų56118.2 Ų118.258%0.57764%0.643SS**SBendtrans128.575.5-168.300000106.5D335G333-D335 PolarHBondContact O-N 3.04Å
334A51.3Low58.2Low65 Ų65114.1 Ų114.154%0.53762%0.624SS.*  trans-33.6120.4164.300000108.7P336A334-P336 WeakPolarHBondContact O-CD 3.44Å
335D52.5Low58.9Low113 Ų113116 Ų11660%0.60462%0.624SS**  trans-34.5110.7-175.6-95.1-30.5000109.3G333 E337 S338 N339G333-D335 PolarHBondContact O-N 3.04Å; D335-E337 PolarHBondContact O-N 2.68Å; D335-S338 WeakPolarHBondContact O-CA 3.25Å; D335-S338 PolarHBondContact O-N 3.25Å; D335-N339 PolarHBondContact O-N 3.42Å
336P59Low59.8Low103 Ų103114.5 Ų114.567%0.66962%0.618SS**Hα-helixtrans-62-19.2-178.622.3-31.3000110.5A334 R340A334-P336 WeakPolarHBondContact O-CD 3.44Å; P336-R340 WeakPolarHBondContact O-CB 3.4Å; P336-R340 PolarHBondContact O-N 3.15Å
337E60.3Low60.4Low149 Ų149115 Ų11570%0.69661%0.613SS**Hα-helixtrans-77.4-35.9169.8-66.3-154.5124.500113.7D335 R340 N341D335-E337 PolarHBondContact O-N 2.68Å; E337-R340 PolarHBondContact O-N 2.72Å; E337-N341 WeakPolarHBondContact O-CB 3.24Å; E337-N341 PolarHBondContact O-N 3.47Å; E337-N341 PolarHBondContact O-ND2 2.86Å; E337-N341 VanDerWaalsContact O-ND2 3.15Å
338S60.3Low61.3Low64 Ų64113 Ų11345%0.44861%0.606SS.*Hα-helixtrans-68.8-47.2175-179.90000111.1D335 R340 N341 V342D335-S338 WeakPolarHBondContact O-CA 3.25Å; D335-S338 PolarHBondContact O-N 3.25Å; S338-R340 VanDerWaalsContact C-N 3.32Å; S338-R340 PolarHBondContact O-N 3.37Å; S338-N341 PolarHBondContact O-N 2.87Å; S338-V342 WeakPolarHBondContact O-CG2 3.45Å; S338-V342 PolarHBondContact O-N 2.88Å
339N61.1Low62.2Low83 Ų83112.7 Ų112.744%0.44460%0.601SS.*Hα-helixtrans-64-37174.3-93.1-20000111.9D335 V342 L343D335-N339 PolarHBondContact O-N 3.42Å; N339-V342 PolarHBondContact O-N 3.12Å; N339-L343 WeakPolarHBondContact O-CB 3.4Å; N339-L343 WeakPolarHBondContact O-CG 3.4Å; N339-L343 PolarHBondContact O-N 3.12Å
340R60.9Low63.3Low171 Ų171113.9 Ų113.965%0.64560%0.601SS**Hα-helixtrans-64-42.9172.7-179.4179.1175.288.53.5111.7P336 E337 S338 L343 V344P336-R340 WeakPolarHBondContact O-CB 3.4Å; P336-R340 PolarHBondContact O-N 3.15Å; E337-R340 PolarHBondContact O-N 2.72Å; S338-R340 VanDerWaalsContact C-N 3.32Å; S338-R340 PolarHBondContact O-N 3.37Å; R340-L343 PolarHBondContact O-N 3.44Å; R340-V344 HydrophobicContact CG-CG2 4.26Å; R340-V344 VanDerWaalsContact O-CB 3.23Å; R340-V344 WeakPolarHBondContact O-CB 3.5Å; R340-V344 WeakPolarHBondContact O-CG2 3.49Å; R340-V344 PolarHBondContact O-N 2.85Å
341N67.6Low64.2Low109 Ų109114.8 Ų114.858%0.58360%0.601SS**Hα-helixtrans-67.8-38.2178.4-71.2-24.2000112.2E337 S338 R345E337-N341 WeakPolarHBondContact O-CB 3.24Å; E337-N341 PolarHBondContact O-N 3.47Å; E337-N341 PolarHBondContact O-ND2 2.86Å; E337-N341 VanDerWaalsContact O-ND2 3.15Å; S338-N341 PolarHBondContact O-N 2.87Å; N341-R345 WeakPolarHBondContact O-CB 3.46Å; N341-R345 PolarHBondContact O-N 2.87Å
342V70.5Confident65.5Low85 Ų85115.5 Ų115.552%0.51559%0.589SS.*Hα-helixtrans-69.7-41.7175174.20000111.3S338 N339 R345 K346S338-V342 WeakPolarHBondContact O-CG2 3.45Å; S338-V342 PolarHBondContact O-N 2.88Å; N339-V342 PolarHBondContact O-N 3.12Å; V342-R345 PolarHBondContact O-N 3.35Å; V342-K346 VanDerWaalsContact O-CB 3.26Å; V342-K346 WeakPolarHBondContact O-CB 3.46Å; V342-K346 PolarHBondContact O-N 2.96Å
343L67.9Low66.9Low115 Ų115113 Ų11360%0.60258%0.578SS**Hα-helixtrans-66.5-42.4175.3-74.9170.1000111.8N339 R340 R345 K346 E347N339-L343 WeakPolarHBondContact O-CB 3.4Å; N339-L343 WeakPolarHBondContact O-CG 3.4Å; N339-L343 PolarHBondContact O-N 3.12Å; R340-L343 PolarHBondContact O-N 3.44Å; L343-R345 VanDerWaalsContact C-N 3.35Å; L343-K346 PolarHBondContact O-N 3.12Å; L343-E347 WeakPolarHBondContact O-CB 3.41Å; L343-E347 PolarHBondContact O-N 3.46Å
344V71.6Confident68.3Low66 Ų66113.4 Ų113.440%0.457%0.57SS.*Hα-helixtrans-63-42.4174.31680000110.4R340 E347 E348R340-V344 HydrophobicContact CG-CG2 4.26Å; R340-V344 VanDerWaalsContact O-CB 3.23Å; R340-V344 WeakPolarHBondContact O-CB 3.5Å; R340-V344 WeakPolarHBondContact O-CG2 3.49Å; R340-V344 PolarHBondContact O-N 2.85Å; V344-E347 PolarHBondContact O-N 2.74Å; V344-E348 WeakPolarHBondContact O-CB 2.97Å; V344-E348 PolarHBondContact O-N 2.73Å
345R74.7Confident69.2Low189 Ų189116 Ų11671%0.71357%0.574SS**Hα-helixtrans-66.9-39.4176.9-170.2175.7-177.8138.2-2.1112.2N341 V342 L343 E348 E349N341-R345 WeakPolarHBondContact O-CB 3.46Å; N341-R345 PolarHBondContact O-N 2.87Å; V342-R345 PolarHBondContact O-N 3.35Å; L343-R345 VanDerWaalsContact C-N 3.35Å; R345-E348 PolarHBondContact O-N 2.89Å; R345-E349 VanDerWaalsContact O-CB 3.25Å; R345-E349 WeakPolarHBondContact O-CB 3.42Å; R345-E349 PolarHBondContact O-N 2.75Å
346K77.4Confident70.2Confident149 Ų149117.2 Ų117.265%0.64857%0.57SS**Hα-helixtrans-69.7-35176.1-168.3175.2-175.1175.50111.7V342 L343 K350V342-K346 VanDerWaalsContact O-CB 3.26Å; V342-K346 WeakPolarHBondContact O-CB 3.46Å; V342-K346 PolarHBondContact O-N 2.96Å; L343-K346 PolarHBondContact O-N 3.12Å; K346-K350 WeakPolarHBondContact O-CB 2.79Å; K346-K350 PolarHBondContact O-N 3.08Å
347E71.7Confident70.8Confident125 Ų125121 Ų12158%0.58457%0.571SS**Hα-helixtrans-73.3-39.6174.6-168.8173.6-155.800111.4L343 V344 K350 L351L343-E347 WeakPolarHBondContact O-CB 3.41Å; L343-E347 PolarHBondContact O-N 3.46Å; V344-E347 PolarHBondContact O-N 2.74Å; E347-K350 PolarHBondContact O-N 3.33Å; E347-L351 HydrophobicContact CG-CD1 4.04Å; E347-L351 VanDerWaalsContact O-CB 3.24Å; E347-L351 WeakPolarHBondContact O-CB 3.47Å; E347-L351 WeakPolarHBondContact O-CG 3.35Å; E347-L351 PolarHBondContact O-N 2.71Å
348E75.9Confident71.2Confident133 Ų133119.8 Ų119.862%0.62157%0.565SS**Hα-helixtrans-68-38.8174.9-168.8179.4179.100111.4V344 R345 R352V344-E348 WeakPolarHBondContact O-CB 2.97Å; V344-E348 PolarHBondContact O-N 2.73Å; R345-E348 PolarHBondContact O-N 2.89Å; E348-R352 WeakPolarHBondContact O-CB 3.3Å; E348-R352 PolarHBondContact O-N 3.1Å
349E76.4Confident71.9Confident135 Ų135119.8 Ų119.863%0.63157%0.565SS**Hα-helixtrans-69.5-39.4173.4-172.5169.6-159.300111.6R345 R352 A353R345-E349 VanDerWaalsContact O-CB 3.25Å; R345-E349 WeakPolarHBondContact O-CB 3.42Å; R345-E349 PolarHBondContact O-N 2.75Å; E349-R352 PolarHBondContact O-N 2.8Å; E349-A353 VanDerWaalsContact O-CB 3.23Å; E349-A353 WeakPolarHBondContact O-CB 3.49Å; E349-A353 PolarHBondContact O-N 2.8Å
350K78.9Confident72.6Confident149 Ų149122.1 Ų122.165%0.64857%0.574SS**Hα-helixtrans-64.5-45173-170.1177.5-179.7-175.10110.9K346 E347 R352 A353 T354K346-K350 WeakPolarHBondContact O-CB 2.79Å; K346-K350 PolarHBondContact O-N 3.08Å; E347-K350 PolarHBondContact O-N 3.33Å; K350-R352 VanDerWaalsContact C-N 3.33Å; K350-R352 PolarHBondContact O-N 2.96Å; K350-A353 CarbonylContact O-C 3.57Å; K350-A353 PolarHBondContact O-N 3.48Å; K350-T354 HydrophobicContact CG-CG2 4.47Å; K350-T354 WeakPolarHBondContact O-CG2 3.42Å; K350-T354 PolarHBondContact O-N 2.87Å; K350-T354 PolarHBondContact O-OG1 2.85Å
351L71.9Confident73.1Confident105 Ų105118.9 Ų118.955%0.5557%0.569SS.*Hα-helixtrans-62.7-39.3174.4-85.5158.5000111.4E347 A353 T354 L355E347-L351 HydrophobicContact CG-CD1 4.04Å; E347-L351 VanDerWaalsContact O-CB 3.24Å; E347-L351 WeakPolarHBondContact O-CB 3.47Å; E347-L351 WeakPolarHBondContact O-CG 3.35Å; E347-L351 PolarHBondContact O-N 2.71Å; L351-A353 VanDerWaalsContact C-N 3.35Å; L351-T354 WeakPolarHBondContact CA-OG1 3.5Å; L351-T354 PolarHBondContact O-OG1 2.8Å; L351-T354 VanDerWaalsContact O-OG1 3.07Å; L351-L355 WeakPolarHBondContact O-CB 3.28Å; L351-L355 PolarHBondContact O-N 2.89Å
352R75.1Confident73Confident154 Ų154122.7 Ų122.758%0.58158%0.575SS**Hα-helixtrans-69-35.3175.7-167.2174.6-170-169.94.6111.6E348 E349 K350 R356E348-R352 WeakPolarHBondContact O-CB 3.3Å; E348-R352 PolarHBondContact O-N 3.1Å; E349-R352 PolarHBondContact O-N 2.8Å; K350-R352 VanDerWaalsContact C-N 3.33Å; K350-R352 PolarHBondContact O-N 2.96Å; R352-R356 VanDerWaalsContact O-CB 3.3Å; R352-R356 WeakPolarHBondContact O-CB 3.5Å; R352-R356 WeakPolarHBondContact O-CG 3.38Å; R352-R356 PolarHBondContact O-N 2.81Å
353A74.8Confident72.9Confident54 Ų54127.3 Ų127.345%0.44658%0.583SS.*Hα-helixtrans-73.2-40.5175.100000111.9E349 K350 L351 R356 R357E349-A353 VanDerWaalsContact O-CB 3.23Å; E349-A353 WeakPolarHBondContact O-CB 3.49Å; E349-A353 PolarHBondContact O-N 2.8Å; K350-A353 CarbonylContact O-C 3.57Å; K350-A353 PolarHBondContact O-N 3.48Å; L351-A353 VanDerWaalsContact C-N 3.35Å; A353-R356 PolarHBondContact O-N 2.89Å; A353-R357 VanDerWaalsContact O-CB 3.27Å; A353-R357 WeakPolarHBondContact O-CB 3.23Å; A353-R357 PolarHBondContact O-N 2.79Å
354T75.4Confident72.8Confident66 Ų66128 Ų12841%0.40559%0.585SS.*Hα-helixtrans-68.3-41.9173.959.20000110.8K350 L351 R356 R357 E358K350-T354 HydrophobicContact CG-CG2 4.47Å; K350-T354 WeakPolarHBondContact O-CG2 3.42Å; K350-T354 PolarHBondContact O-N 2.87Å; K350-T354 PolarHBondContact O-OG1 2.85Å; L351-T354 WeakPolarHBondContact CA-OG1 3.5Å; L351-T354 PolarHBondContact O-OG1 2.8Å; L351-T354 VanDerWaalsContact O-OG1 3.07Å; T354-R356 VanDerWaalsContact C-N 3.34Å; T354-R356 PolarHBondContact O-N 2.79Å; T354-R357 CarbonylContact O-C 3.6Å; T354-R357 PolarHBondContact O-N 3.47Å; T354-E358 WeakPolarHBondContact O-CA 3.5Å; T354-E358 WeakPolarHBondContact O-CB 3.24Å; T354-E358 PolarHBondContact O-N 3.3Å
355L68.4Low72.5Confident118 Ų118134.3 Ų134.362%0.61860%0.601SS**Hα-helixtrans-64.7-37.9175.3-166.980.1000111.5L351 S359L351-L355 WeakPolarHBondContact O-CB 3.28Å; L351-L355 PolarHBondContact O-N 2.89Å; L355-S359 WeakPolarHBondContact O-CB 3.48Å; L355-S359 PolarHBondContact O-N 3.2Å; L355-S359 PolarHBondContact O-OG 2.81Å
356R74Confident71.8Confident139 Ų139130.4 Ų130.453%0.52559%0.591SS.*Hα-helixtrans-65.7-46.5171.6-84.7-175.1179.8132.7-5.5111.6R352 A353 T354 E358 S359 Q360R352-R356 VanDerWaalsContact O-CB 3.3Å; R352-R356 WeakPolarHBondContact O-CB 3.5Å; R352-R356 WeakPolarHBondContact O-CG 3.38Å; R352-R356 PolarHBondContact O-N 2.81Å; A353-R356 PolarHBondContact O-N 2.89Å; T354-R356 VanDerWaalsContact C-N 3.34Å; T354-R356 PolarHBondContact O-N 2.79Å; R356-E358 VanDerWaalsContact C-N 3.34Å; R356-E358 PolarHBondContact O-N 2.81Å; R356-S359 PolarHBondContact O-N 2.9Å; R356-S359 PolarHBondContact O-OG 3.37Å; R356-Q360 WeakPolarHBondContact O-CB 3.47Å; R356-Q360 WeakPolarHBondContact O-CG 3.41Å; R356-Q360 PolarHBondContact O-N 3.08Å
357R71Confident71.2Confident182 Ų182130.4 Ų130.469%0.68759%0.591SS**Hα-helixtrans-64.3-40.6179-167.2-176.2179.699.3-0.6111.3A353 T354 Q360 L361A353-R357 VanDerWaalsContact O-CB 3.27Å; A353-R357 WeakPolarHBondContact O-CB 3.23Å; A353-R357 PolarHBondContact O-N 2.79Å; T354-R357 CarbonylContact O-C 3.6Å; T354-R357 PolarHBondContact O-N 3.47Å; R357-Q360 PolarHBondContact O-N 3.12Å; R357-L361 HydrophobicContact CG-CD1 4.02Å; R357-L361 VanDerWaalsContact O-CB 3.3Å; R357-L361 WeakPolarHBondContact O-CB 3.4Å; R357-L361 WeakPolarHBondContact O-CD1 3.22Å; R357-L361 WeakPolarHBondContact O-CG 3.47Å; R357-L361 PolarHBondContact O-N 2.82Å
358E70.6Confident70.7Confident124 Ų124130.5 Ų130.558%0.57959%0.592SS**Hα-helixtrans-69.6-41.8176.9-174.1176-175.900111.2T354 R356 Q360 L361 R362T354-E358 WeakPolarHBondContact O-CA 3.5Å; T354-E358 WeakPolarHBondContact O-CB 3.24Å; T354-E358 PolarHBondContact O-N 3.3Å; R356-E358 VanDerWaalsContact C-N 3.34Å; R356-E358 PolarHBondContact O-N 2.81Å; E358-Q360 VanDerWaalsContact C-N 3.34Å; E358-Q360 PolarHBondContact O-N 3.08Å; E358-L361 PolarHBondContact O-N 3.12Å; E358-R362 WeakPolarHBondContact O-CB 3.48Å; E358-R362 PolarHBondContact O-N 2.92Å
359S73.5Confident69.9Low64 Ų64127 Ų12745%0.44859%0.586SS.*Hα-helixtrans-64-38.6173740000111.9L355 R356 R362 R363L355-S359 WeakPolarHBondContact O-CB 3.48Å; L355-S359 PolarHBondContact O-N 3.2Å; L355-S359 PolarHBondContact O-OG 2.81Å; R356-S359 PolarHBondContact O-N 2.9Å; R356-S359 PolarHBondContact O-OG 3.37Å; S359-R362 PolarHBondContact O-N 2.82Å; S359-R363 VanDerWaalsContact O-CB 3.3Å; S359-R363 WeakPolarHBondContact O-CB 3.16Å; S359-R363 PolarHBondContact O-N 3.5Å
360Q75.5Confident68.9Low133 Ų133127.2 Ų127.262%0.62159%0.588SS**Hα-helixtrans-69.4-41.3175.2-76.9-176.4-4.300111.9R356 R357 E358 R363 M364R356-Q360 WeakPolarHBondContact O-CB 3.47Å; R356-Q360 WeakPolarHBondContact O-CG 3.41Å; R356-Q360 PolarHBondContact O-N 3.08Å; R357-Q360 PolarHBondContact O-N 3.12Å; E358-Q360 VanDerWaalsContact C-N 3.34Å; E358-Q360 PolarHBondContact O-N 3.08Å; Q360-R363 PolarHBondContact O-N 3.46Å; Q360-M364 WeakPolarHBondContact O-CB 3.37Å; Q360-M364 PolarHBondContact O-N 3.5Å
361L71.6Confident67.8Low103 Ų103124.5 Ų124.554%0.53959%0.588SS.*Hα-helixtrans-65.9-39.3173.9-87.1156.4000111.6R357 E358 M364 R365R357-L361 HydrophobicContact CG-CD1 4.02Å; R357-L361 VanDerWaalsContact O-CB 3.3Å; R357-L361 WeakPolarHBondContact O-CB 3.4Å; R357-L361 WeakPolarHBondContact O-CD1 3.22Å; R357-L361 WeakPolarHBondContact O-CG 3.47Å; R357-L361 PolarHBondContact O-N 2.82Å; E358-L361 PolarHBondContact O-N 3.12Å; L361-M364 PolarHBondContact O-N 2.8Å; L361-R365 WeakPolarHBondContact O-CB 3.4Å; L361-R365 PolarHBondContact O-N 2.79Å
362R65.4Low66.8Low189 Ų189129.8 Ų129.871%0.71360%0.601SS**Hα-helixtrans-65.6-42.3174.7-168.4176.3179.1-154.1-1.1110.4E358 S359 R365 E366E358-R362 WeakPolarHBondContact O-CB 3.48Å; E358-R362 PolarHBondContact O-N 2.92Å; S359-R362 PolarHBondContact O-N 2.82Å; R362-R365 PolarHBondContact O-N 2.83Å; R362-E366 WeakPolarHBondContact O-CB 3.32Å; R362-E366 PolarHBondContact O-N 2.88Å
363R69.1Low65.7Low182 Ų182127.1 Ų127.169%0.68761%0.606SS**Hα-helixtrans-67.1-35.2174.8-137.6174.7-172.4-168.32.1112.5S359 Q360 K367S359-R363 VanDerWaalsContact O-CB 3.3Å; S359-R363 WeakPolarHBondContact O-CB 3.16Å; S359-R363 PolarHBondContact O-N 3.5Å; Q360-R363 PolarHBondContact O-N 3.46Å; R363-K367 VanDerWaalsContact O-CB 3.29Å; R363-K367 WeakPolarHBondContact O-CB 3.38Å; R363-K367 VanDerWaalsContact O-CG 3.25Å; R363-K367 WeakPolarHBondContact O-CG 3.19Å; R363-K367 PolarHBondContact O-N 2.87Å
364M65Low64.5Low129 Ų129129.4 Ų129.464%0.63562%0.619SS**Hα-helixtrans-72.7-38.7173.4-85.4-164.9154.400112.1Q360 L361 K367 Q368Q360-M364 WeakPolarHBondContact O-CB 3.37Å; Q360-M364 PolarHBondContact O-N 3.5Å; L361-M364 PolarHBondContact O-N 2.8Å; M364-K367 PolarHBondContact O-N 3.49Å; M364-Q368 WeakPolarHBondContact O-CB 2.98Å; M364-Q368 WeakPolarHBondContact O-CG 3.31Å; M364-Q368 PolarHBondContact O-N 3.43Å
365R65.8Low63Low198 Ų198136.1 Ų136.175%0.74764%0.643SS**Hα-helixtrans-67.8-37.8175.3-170.8173.7-177161.70.1111L361 R362 Q368 A369L361-R365 WeakPolarHBondContact O-CB 3.4Å; L361-R365 PolarHBondContact O-N 2.79Å; R362-R365 PolarHBondContact O-N 2.83Å; R365-Q368 PolarHBondContact O-N 2.89Å; R365-A369 WeakPolarHBondContact O-CB 3.42Å; R365-A369 PolarHBondContact O-N 2.75Å
366E60.1Low61.5Low108 Ų108134.1 Ų134.151%0.50565%0.65SS.*Hα-helixtrans-69-40.7172.9-169.3177.8-178.900111.2R362 Q368 A369 M370R362-E366 WeakPolarHBondContact O-CB 3.32Å; R362-E366 PolarHBondContact O-N 2.88Å; E366-Q368 PolarHBondContact O-N 2.94Å; E366-A369 PolarHBondContact O-N 2.89Å; E366-M370 VanDerWaalsContact O-CB 3.32Å; E366-M370 WeakPolarHBondContact O-CB 3.35Å; E366-M370 WeakPolarHBondContact O-CG 3.38Å; E366-M370 PolarHBondContact O-N 2.99Å
367K64.1Low59.8Low149 Ų149132.1 Ų132.165%0.64866%0.657SS**Hα-helixtrans-65.6-35.4171.3-78.9-178.5174.2-165.40113R363 M364 S371R363-K367 VanDerWaalsContact O-CB 3.29Å; R363-K367 WeakPolarHBondContact O-CB 3.38Å; R363-K367 VanDerWaalsContact O-CG 3.25Å; R363-K367 WeakPolarHBondContact O-CG 3.19Å; R363-K367 PolarHBondContact O-N 2.87Å; M364-K367 PolarHBondContact O-N 3.49Å; K367-S371 VanDerWaalsContact O-CB 3.26Å; K367-S371 WeakPolarHBondContact O-CB 3.41Å; K367-S371 PolarHBondContact O-N 3.04Å
368Q61.8Low58.4Low127 Ų127130.3 Ų130.359%0.59366%0.657SS**Hα-helixtrans-75.6-31.9174.5-79-177.8-3.400112.3M364 R365 E366 S371 R372M364-Q368 WeakPolarHBondContact O-CB 2.98Å; M364-Q368 WeakPolarHBondContact O-CG 3.31Å; M364-Q368 PolarHBondContact O-N 3.43Å; R365-Q368 PolarHBondContact O-N 2.89Å; E366-Q368 PolarHBondContact O-N 2.94Å; Q368-S371 PolarHBondContact O-N 3.22Å; Q368-R372 WeakPolarHBondContact O-CB 3.36Å; Q368-R372 WeakPolarHBondContact O-CG 3.25Å; Q368-R372 PolarHBondContact O-N 2.64Å
369A58.8Low57.2Low60 Ų60134.5 Ų134.550%0.49667%0.667SS.*Hα-helixtrans-68.4-40.7170.800000110.8R365 E366 S371 R372 S373R365-A369 WeakPolarHBondContact O-CB 3.42Å; R365-A369 PolarHBondContact O-N 2.75Å; E366-A369 PolarHBondContact O-N 2.89Å; A369-S371 VanDerWaalsContact C-N 3.35Å; A369-R372 PolarHBondContact O-N 3.49Å; A369-S373 VanDerWaalsContact O-CB 3.23Å; A369-S373 WeakPolarHBondContact O-CB 3.48Å; A369-S373 PolarHBondContact O-N 3.07Å
370M56.7Low55.6Low139 Ų139143.4 Ų143.469%0.68569%0.691SS**Hα-helixtrans-67.8-32.2172.4-70.1-117.1-114.500112.5E366E366-M370 VanDerWaalsContact O-CB 3.32Å; E366-M370 WeakPolarHBondContact O-CB 3.35Å; E366-M370 WeakPolarHBondContact O-CG 3.38Å; E366-M370 PolarHBondContact O-N 2.99Å
371S55.3Low53.9Low92 Ų92148.8 Ų148.864%0.64371%0.706SS**Hα-helixtrans-76.9-22.6174.7-173.90000113.6K367 Q368 A369K367-S371 VanDerWaalsContact O-CB 3.26Å; K367-S371 WeakPolarHBondContact O-CB 3.41Å; K367-S371 PolarHBondContact O-N 3.04Å; Q368-S371 PolarHBondContact O-N 3.22Å; A369-S371 VanDerWaalsContact C-N 3.35Å
372R51.6Low52.4Low215 Ų215149.4 Ų149.481%0.81172%0.719SS**Hα-helixtrans-94.4-12.4173.9-75.5-177.2147.6159.6-5.1113.4Q368 A369 S374Q368-R372 WeakPolarHBondContact O-CB 3.36Å; Q368-R372 WeakPolarHBondContact O-CG 3.25Å; Q368-R372 PolarHBondContact O-N 2.64Å; A369-R372 PolarHBondContact O-N 3.49Å; R372-S374 VanDerWaalsContact C-N 3.26Å; R372-S374 PolarHBondContact O-N 3.38Å
373S50.7Low51.3Low99 Ų99151.6 Ų151.669%0.69273%0.729SS**THydrogen-bonded Turntrans-81.92.7173.5-173.40000113.7A369A369-S373 VanDerWaalsContact O-CB 3.23Å; A369-S373 WeakPolarHBondContact O-CB 3.48Å; A369-S373 PolarHBondContact O-N 3.07Å
374S50.2Low49.9Very low102 Ų102146.1 Ų146.171%0.71373%0.728SS**THydrogen-bonded Turntrans-928.6-179-147.40000114.3R372R372-S374 VanDerWaalsContact C-N 3.26Å; R372-S374 PolarHBondContact O-N 3.38Å
375F43Very low48.6Very low207 Ų207148.2 Ų148.291%0.90874%0.737SS**SBendtrans-135.888.6176.2-112.2-93.2000109.2
376G38.3Very low47.5Very low75 Ų75145 Ų14577%0.77373%0.734SS**  trans168.467.4-17900000112.8
377S38.6Very low46.8Very low97 Ų97145.8 Ų145.868%0.67874%0.742SS**  trans-57.4146.7172-163.60000111.5
378E40.9Very low45.6Very low144 Ų144146.5 Ų146.567%0.67375%0.748SS**  trans87.8109.7149-81.8155.1-121.200120.8
379R44.2Very low44.9Very low213 Ų213147.7 Ų147.780%0.80476%0.758SS**  trans90.495.1143.1-56.6168.4-163.9-142.55.2117.6
380R41.5Very low44.2Very low250 Ų250152.1 Ų152.194%0.94377%0.773SS**  168.2136.696.6-99.3177.5168.9-126.70.7111.5
381R38.7Very low43.7Very low247 Ų247152.4 Ų152.493%0.93278%0.778SS**  trans-81.3137.1172.5-65171168.6-146.2-2.5110.6
382S41.1Very low43.3Very low116 Ų116155.2 Ų155.281%0.81179%0.785SS**  trans170.4109.4145.8-124.20000107.5
383Y41.4Very low42.9Very low235 Ų235149 Ų14992%0.92279%0.789SS**  60.5122.484-111.2-86.9000115.2
384G40.1Very low42.6Very low66 Ų66150.9 Ų150.968%0.6879%0.791SS**  trans93.6110.1166.400000112.9
385E37.4Very low42.5Very low173 Ų173152.2 Ų152.281%0.80880%0.795SS**  70118.857-163.3169-148.900111.6
386D42.9Very low43Very low131 Ų131147.2 Ų147.270%0.70178%0.781SS**  trans60.5145.9164.8-61.6-13.1000115.8
387D45.1Very low44.1Very low125 Ų125147.2 Ų147.267%0.66877%0.769SS**  cis-169.1175.35.3-127.2-40.5000104.3
388E40.2Very low45.2Very low164 Ų164149.6 Ų149.677%0.76677%0.774SS**  trans72.5111.6154.5-69.7166.8-176.600119
389D45.5Very low46.7Very low152 Ų152148.4 Ų148.481%0.81377%0.772SS**  trans-177.190.1130.2-87.7-29.6000105.4
390D45.7Very low48.1Very low152 Ų152140.6 Ų140.681%0.81375%0.753SS**  59.292.598.2-81.9-27.4000113
391D45.9Very low49.2Very low146 Ų146133.8 Ų133.878%0.78174%0.735SS**  trans-155.899.7153.7-135.9-4.7000111.2
392D46.9Very low50.9Low150 Ų150129.5 Ų129.580%0.80272%0.723SS**  trans59.893.9138.2-63.8-13.4000121.5N394D392-N394 PolarHBondContact O-N 3.38Å
393G42.9Very low52.5Low85 Ų85133.2 Ų133.288%0.87672%0.719SS**  89.87.999.600000121.9
394N44.1Very low54.3Low138 Ų138127.8 Ų127.874%0.73871%0.706SS**  trans-142.834.7179.3-163.447.8000116.5D392 T396D392-N394 PolarHBondContact O-N 3.38Å; N394-T396 PolarHBondContact O-N 3.33Å
395T48.7Very low55.9Low130 Ų130127.7 Ų127.780%0.79870%0.699SS**  trans-92.349.8-176.361.60000114S397T395-S397 PolarHBondContact O-N 3.21Å
396T52.6Low57.8Low102 Ų102126.7 Ų126.763%0.62669%0.692SS**  trans-70.692.5152.446.60000107.5N394 L398N394-T396 PolarHBondContact O-N 3.33Å; T396-L398 PolarHBondContact O-N 2.88Å
397S62.2Low59.5Low75 Ų75125.7 Ų125.752%0.52469%0.687SS.*  trans-51.5129-172.1-32.40000110.6T395 N399 A400T395-S397 PolarHBondContact O-N 3.21Å; S397-N399 PolarHBondContact O-N 2.85Å; S397-A400 WeakPolarHBondContact O-CB 3.31Å; S397-A400 PolarHBondContact O-N 3.43Å
398L60.8Low61Low148 Ų148123.5 Ų123.578%0.77568%0.681SS**Hα-helixtrans-48.4-27.1176.4-77.9164.6000113.4T396 K402T396-L398 PolarHBondContact O-N 2.88Å; L398-K402 WeakPolarHBondContact O-CB 3.14Å; L398-K402 PolarHBondContact O-N 2.79Å; L398-K402 VanDerWaalsContact O-N 3.11Å
399N72.9Confident62.7Low118 Ų118120.7 Ų120.763%0.63167%0.671SS**Hα-helixtrans-69.9-30.2175-75.2-9.6000114.1S397 R403S397-N399 PolarHBondContact O-N 2.85Å; N399-R403 WeakPolarHBondContact O-CG 2.92Å; N399-R403 PolarHBondContact O-N 3.12Å
400A73.3Confident64.1Low50 Ų50118.4 Ų118.441%0.41366%0.658SS.*Hα-helixtrans-73.2-45.1176.300000111.3S397 K402 R403 N404S397-A400 WeakPolarHBondContact O-CB 3.31Å; S397-A400 PolarHBondContact O-N 3.43Å; A400-K402 VanDerWaalsContact C-N 3.31Å; A400-K402 PolarHBondContact O-N 3.05Å; A400-R403 PolarHBondContact O-N 3.47Å; A400-N404 PolarHBondContact O-N 3.3Å; A400-N404 VanDerWaalsContact O-N 3.1Å
401L66Low65.6Low106 Ų106114.7 Ų114.756%0.55564%0.641SS**Hα-helixtrans-60-39.9173.7-81146.9000111.8A405L401-A405 WeakPolarHBondContact O-CB 3.46Å; L401-A405 PolarHBondContact O-N 3.04Å
402K73.1Confident66.8Low158 Ų158110.1 Ų110.169%0.68762%0.623SS**Hα-helixtrans-68.6-35.8178.2-168.8172.7-178.6176.20113.6L398 A400 K406L398-K402 WeakPolarHBondContact O-CB 3.14Å; L398-K402 PolarHBondContact O-N 2.79Å; L398-K402 VanDerWaalsContact O-N 3.11Å; A400-K402 VanDerWaalsContact C-N 3.31Å; A400-K402 PolarHBondContact O-N 3.05Å; K402-K406 PolarHBondContact O-N 3.49Å
403R75.9Confident67.9Low194 Ų194111.5 Ų111.573%0.73262%0.618SS**Hα-helixtrans-70-43175.9-77.6-179-177.3166.11.5111.6N399 A400 K406 N407N399-R403 WeakPolarHBondContact O-CG 2.92Å; N399-R403 PolarHBondContact O-N 3.12Å; A400-R403 PolarHBondContact O-N 3.47Å; R403-K406 PolarHBondContact O-N 3.44Å; R403-N407 PolarHBondContact O-N 2.98Å
404N77.9Confident69.1Low121 Ų121115.1 Ų115.165%0.64761%0.609SS**Hα-helixtrans-66.7-40.8179.1-72.8-4.6000112.2A400 K406 N407 S408A400-N404 PolarHBondContact O-N 3.3Å; A400-N404 VanDerWaalsContact O-N 3.1Å; N404-K406 PolarHBondContact O-N 3.08Å; N404-N407 PolarHBondContact O-N 3.25Å; N404-S408 WeakPolarHBondContact O-CB 3.38Å; N404-S408 PolarHBondContact O-N 2.86Å
405A75.1Confident70.1Confident64 Ų64113.3 Ų113.353%0.52960%0.599SS.*Hα-helixtrans-62.5-39.1175.600000112.8L401 L409L401-A405 WeakPolarHBondContact O-CB 3.46Å; L401-A405 PolarHBondContact O-N 3.04Å; A405-L409 PolarHBondContact O-N 2.92Å; A405-L409 VanDerWaalsContact O-N 3.12Å
406K76.3Confident70.7Confident151 Ų151112.1 Ų112.166%0.65759%0.592SS**Hα-helixtrans-69.2-36.8176.9-169.4173.9-179.5176.10112.2K402 R403 N404 L410K402-K406 PolarHBondContact O-N 3.49Å; R403-K406 PolarHBondContact O-N 3.44Å; N404-K406 PolarHBondContact O-N 3.08Å; K406-L410 WeakPolarHBondContact O-CG 3.23Å; K406-L410 PolarHBondContact O-N 3.47Å
407N77.7Confident71.1Confident110 Ų110110.3 Ų110.359%0.58859%0.587SS**Hα-helixtrans-70.1-41.9178.4-147.537.9000111.2R403 N404 L409 L410 T411R403-N407 PolarHBondContact O-N 2.98Å; N404-N407 PolarHBondContact O-N 3.25Å; N407-L409 PolarHBondContact O-N 2.98Å; N407-L410 PolarHBondContact O-N 3.01Å; N407-T411 PolarHBondContact O-N 3.21Å; N407-T411 VanDerWaalsContact O-N 3.09Å; N407-T411 PolarHBondContact O-OG1 2.94Å
408S76.8Confident71Confident80 Ų80110.2 Ų110.256%0.55959%0.591SS**Hα-helixtrans-62.3-39.8176.41740000112.9N404 L410 T411 A412N404-S408 WeakPolarHBondContact O-CB 3.38Å; N404-S408 PolarHBondContact O-N 2.86Å; S408-L410 VanDerWaalsContact C-N 3.33Å; S408-L410 PolarHBondContact O-N 3.19Å; S408-T411 PolarHBondContact O-N 2.89Å; S408-A412 PolarHBondContact O-N 2.86Å
409L75.8Confident70.9Confident104 Ų104109.8 Ų109.855%0.54559%0.588SS.*Hα-helixtrans-66.5-33.8176.4-173.165.9000112.9A405 N407 R413A405-L409 PolarHBondContact O-N 2.92Å; A405-L409 VanDerWaalsContact O-N 3.12Å; N407-L409 PolarHBondContact O-N 2.98Å; L409-R413 PolarHBondContact O-N 2.77Å; L409-R413 VanDerWaalsContact O-N 3.17Å
410L75.9Confident70.3Confident104 Ų104114.5 Ų114.555%0.54560%0.599SS.*Hα-helixtrans-72.1-34.9176.2-73.8169000112K406 N407 S408 K414K406-L410 WeakPolarHBondContact O-CG 3.23Å; K406-L410 PolarHBondContact O-N 3.47Å; N407-L410 PolarHBondContact O-N 3.01Å; S408-L410 VanDerWaalsContact C-N 3.33Å; S408-L410 PolarHBondContact O-N 3.19Å; L410-K414 PolarHBondContact O-N 3.18Å
411T76.7Confident69.1Low75 Ų75117 Ų11746%0.4661%0.613SS.*Hα-helixtrans-68.2-46175.1-16.30000110.7N407 S408 R413 K414 D415N407-T411 PolarHBondContact O-N 3.21Å; N407-T411 VanDerWaalsContact O-N 3.09Å; N407-T411 PolarHBondContact O-OG1 2.94Å; S408-T411 PolarHBondContact O-N 2.89Å; T411-R413 VanDerWaalsContact C-N 3.31Å; T411-R413 PolarHBondContact O-N 2.85Å; T411-K414 PolarHBondContact O-N 3.44Å; T411-D415 PolarHBondContact O-N 2.98Å
412A71.6Confident68Low49 Ų49117.7 Ų117.741%0.40563%0.627SS.*Hα-helixtrans-61.4-35.5177.900000113.4S408 V416S408-A412 PolarHBondContact O-N 2.86Å; A412-V416 VanDerWaalsContact O-CG2 3.29Å; A412-V416 WeakPolarHBondContact O-CG2 3.06Å; A412-V416 PolarHBondContact O-N 2.85Å; A412-V416 VanDerWaalsContact O-N 3.12Å
413R68.9Low66.7Low180 Ų180117 Ų11768%0.67963%0.63SS**Hα-helixtrans-70.4-30.6174.1-80.3-175.8168.7-179.8-3.2113.3L409 T411 A417L409-R413 PolarHBondContact O-N 2.77Å; L409-R413 VanDerWaalsContact O-N 3.17Å; T411-R413 VanDerWaalsContact C-N 3.31Å; T411-R413 PolarHBondContact O-N 2.85Å; R413-A417 WeakPolarHBondContact O-CB 3.49Å; R413-A417 PolarHBondContact O-N 3.5Å; R413-A417 VanDerWaalsContact O-N 3.16Å
414K69.5Low65.3Low161 Ų161117.2 Ų117.270%0.764%0.64SS**Hα-helixtrans-74.8-36.5176.8-169170178177.10111.4L410 T411 A418L410-K414 PolarHBondContact O-N 3.18Å; T411-K414 PolarHBondContact O-N 3.44Å; K414-A418 WeakPolarHBondContact O-CB 3.19Å; K414-A418 PolarHBondContact O-N 3.28Å; K414-A418 VanDerWaalsContact O-N 3.16Å
415D64.7Low63.9Low100 Ų100120.4 Ų120.454%0.53565%0.651SS.*Hα-helixtrans-69.7-39.7176.5-65.3-25.2000111.4T411 A418 I419T411-D415 PolarHBondContact O-N 2.98Å; D415-A418 PolarHBondContact O-N 3.28Å; D415-I419 WeakPolarHBondContact O-CG1 3.35Å
416V61.7Low62.2Low104 Ų104122.1 Ų122.163%0.6366%0.659SS**Hα-helixtrans-70.6-33.5176.4175.70000112.7A412 A418A412-V416 VanDerWaalsContact O-CG2 3.29Å; A412-V416 WeakPolarHBondContact O-CG2 3.06Å; A412-V416 PolarHBondContact O-N 2.85Å; A412-V416 VanDerWaalsContact O-N 3.12Å; V416-A418 VanDerWaalsContact C-N 3.31Å
417A59.4Low60.7Low64 Ų64122.9 Ų122.953%0.52967%0.669SS.*Hα-helixtrans-72.9-22.9175.200000113.2R413R413-A417 WeakPolarHBondContact O-CB 3.49Å; R413-A417 PolarHBondContact O-N 3.5Å; R413-A417 VanDerWaalsContact O-N 3.16Å
418A61.3Low59Low74 Ų74122.6 Ų122.661%0.61268%0.676SS**Hα-helixtrans-78.3-20.3177.300000113.5K414 D415 V416K414-A418 WeakPolarHBondContact O-CB 3.19Å; K414-A418 PolarHBondContact O-N 3.28Å; K414-A418 VanDerWaalsContact O-N 3.16Å; D415-A418 PolarHBondContact O-N 3.28Å; V416-A418 VanDerWaalsContact C-N 3.31Å
419I59.5Low57.3Low138 Ų138126 Ų12671%0.70869%0.688SS**THydrogen-bonded Turntrans-83.7-13.4179.8-29.2-173000112.3D415D415-I419 WeakPolarHBondContact O-CG1 3.35Å
420Y59.5Low55.8Low218 Ų218128.4 Ų128.486%0.85570%0.7SS**THydrogen-bonded Turntrans-118.219.7-174-117.7-90.3000113.6
421S48.7Very low54.3Low102 Ų102128 Ų12871%0.71371%0.705SS**  trans-12945.9-174.8-176.10000113.1
422S42.9Very low53.1Low121 Ų121133.7 Ų133.785%0.84673%0.727SS**  trans-144.697.1169.4-160.70000107.9
423D44Very low52Low143 Ų143137 Ų13777%0.76574%0.744SS**  trans162.477.1140.1-162.630.8000110.4
424E47.8Very low50.9Low199 Ų199139.8 Ų139.893%0.9376%0.755SS**  trans-150.283.5167-56.9-75157.100108
425E48Very low49.9Very low187 Ų187138.1 Ų138.187%0.87476%0.763SS**  trans-85.7138.8160.8-74.5-127.5134.200109.7
426S40.3Very low49.3Very low100 Ų100144.8 Ų144.870%0.69978%0.781SS**  trans73.595.6159-163.90000116.2
427L44.6Very low48.6Very low167 Ų167149.5 Ų149.587%0.87479%0.793SS**  -171.413595.1-87.1173.4000110.6
428S41.8Very low48.4Very low105 Ų105156.6 Ų156.673%0.73481%0.812SS**  trans-82.9154.7-166.750.80000114.5
429D41.7Very low47.9Very low150 Ų150159.7 Ų159.780%0.80282%0.823SS**  trans81.799140.3-15018.7000117.8
430I43.9Very low47Very low155 Ų155163.9 Ų163.980%0.79583%0.83SS**  -174.4110111.4-168.1143.1000112
431S43.7Very low46.7Very low95 Ų95158.1 Ų158.166%0.66483%0.827SS**  trans29.8118.9148.465.60000122.2
432E52.5Low46.6Very low195 Ų195161.9 Ų161.991%0.91183%0.83SS**  trans-151.5130.5132.9-101.5-169.6173.700111.4
433P46.9Very low47Very low118 Ų118163.9 Ų163.977%0.76683%0.83SS**  trans-97.6127.4-175.334.8-30.1000114.4
434R46.5Very low47.3Very low239 Ų239162.2 Ų162.290%0.90283%0.829SS**  trans45.6104.7139.3-67.7-177.1156-174.3-5.4119.2R436R434-R436 PolarHBondContact O-N 2.73Å
435S48.6Very low47.1Very low126 Ų126160.1 Ų160.188%0.88183%0.825SS**PPolyproline II helixtrans-51125.9161.757.90000114.1
436R52.4Low47.6Very low240 Ų240160.2 Ų160.291%0.90683%0.825SS**PPolyproline II helixtrans-89.5130.2170.9-78.2178.7163160.4-4.1111.8R434R434-R436 PolarHBondContact O-N 2.73Å
437K46.2Very low48Very low204 Ų204164.5 Ų164.589%0.88783%0.834SS**PPolyproline II helixtrans-51.2128.8164.9-91.1168.1168.4169.20111.3
438K55.5Low48.6Very low212 Ų212165.7 Ų165.792%0.92284%0.835SS**PPolyproline II helixtrans-91.5117.5164.7-68.2-176.1-176.2-177.70109.5
439V50.9Low49.3Very low139 Ų139165.5 Ų165.584%0.84283%0.834SS**PPolyproline II helixtrans-92.6132.6166.4173.40000107.8
440R40.4Very low49.8Very low227 Ų227170 Ų17086%0.85786%0.858SS**PPolyproline II helixtrans-83.4123.9-176.8177.6175.5170.4174.6-2.4109.7
441A53Low50.1Low96 Ų96170.8 Ų170.879%0.79386%0.861SS**  trans-126.1136166.400000109.7
442K47.3Very low50.4Low181 Ų181174.7 Ų174.779%0.78787%0.872SS**  trans-90.3141.1-178.1-63167.7170.9-1800109.5
443I51.1Low50.3Low163 Ų163173.6 Ų173.684%0.83687%0.869SS**  trans-16099.8155.4-87.2124.5000103.1
444S50.5Low50.5Low108 Ų108176.9 Ų176.976%0.75588%0.875SS**  59.994.783.3-157.90000112.9
445D43.5Very low50.7Low155 Ų155173 Ų17383%0.82987%0.874SS**  trans-48.4139.4153.5-108.4-25000110.6
446E57.6Low50.9Low189 Ų189176.1 Ų176.188%0.88387%0.873SS**  trans-160.1143.9138.4-104.5177.4-161.300108.9
447E48.6Very low50.8Low191 Ų191171.6 Ų171.689%0.89387%0.871SS**  trans-62.2159.2-168.1-55-179.4157.100113.8
448E58.4Low51.1Low191 Ų191169.1 Ų169.189%0.89387%0.87SS**  170.7139113.7-163.2157.3-163.700110.9
449S56.6Low50.7Low102 Ų102165.5 Ų165.571%0.71387%0.865SS**  trans-68.9148.5-175.2410000115.8
450D51.1Low50.7Low244 Ų244167.9 Ų167.9100%1.30587%0.868SS**  trans-154.90130.4-119.5-12.2000110

Retrieved 450 of 450 residues in 709.4 ms (Link to these results)