A0A087XZW4_POEFO Loading...

Zinc finger protein GLIS2

AlphaFold DB , UniProt , Accession A0A087XZW4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 480 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
1M34.3Very low35.6Very low223 Ų223145.4 Ų145.4100%1.09976%0.76SS**  0135.50-85.5-175.267.200107.6
2L34.3Very low35.5Very low150 Ų150146.5 Ų146.579%0.78577%0.766SS**  trans63.5130.5169.1-50177.5000114.3
3S34.6Very low35.6Very low100 Ų100145.2 Ų145.270%0.69977%0.772SS**  cis71102.419.7-44.50000115.4
4L36.3Very low35.2Very low156 Ų156150.8 Ų150.882%0.81778%0.777SS**  trans-150.8114.2137.7-70.7-174.9000104.4
5D33.3Very low34.9Very low133 Ų133157.2 Ų157.271%0.71179%0.787SS**  73.3138.679.2-67.2-37.6000112.1
6E43.2Very low34.5Very low167 Ų167153.6 Ų153.678%0.7879%0.79SS**  cis174.8-162.4-8.1-124.1-147.2140.600103.6
7P54.5Low34.2Very low84 Ų84154.9 Ų154.955%0.54580%0.798SS.*  cis-133.9-170.9-38.426.2-3.2000115.3
8L31.4Very low33.8Very low158 Ų158150.7 Ų150.783%0.82780%0.8SS**  trans95.7149.6148.6-49.9178.9000121.1
9D29.4Very low33.8Very low124 Ų124152.3 Ų152.366%0.66380%0.799SS**  cis-166.4176.8-47.8-161.63.4000109.5
10L30.2Very low33.5Very low127 Ų127150.2 Ų150.267%0.66579%0.789SS**  trans74.884.6148.7-80.1148.6000120.8
11K29.8Very low33.4Very low177 Ų177154.8 Ų154.877%0.7780%0.795SS**  48.2111.4120.4-72.4153.1176156.40121.5
12L34.7Very low33.1Very low159 Ų159148.1 Ų148.183%0.83278%0.783SS**  4.1145.8126.8-72.2167.3000119.5
13P37.3Very low33.1Very low129 Ų129147.8 Ų147.884%0.83879%0.788SS**  -138.8-177101.438.8-27.3000116.4
14R29.9Very low32.9Very low224 Ų224154.6 Ų154.685%0.84580%0.798SS**  trans-111.7156.5-172-76.2172.5162.1170.9-5.2113.6
15R30.3Very low32.6Very low247 Ų247152.9 Ų152.993%0.93280%0.799SS**  trans42.3134.2142.6-72.1-176.8170.4-171.5-3.2121
16A28Very low32.7Very low100 Ų100152.4 Ų152.483%0.82680%0.803SS**  trans-148.3157.2135.900000111.2
17N30.5Very low31.8Very low175 Ų175152.5 Ų152.594%0.93681%0.808SS**  trans-86.7151.6170.8-87.8-9.2000110.8
18G27.3Very low30.6Very low80 Ų80156.4 Ų156.483%0.82582%0.824SS**  trans-141.1161170.300000110.6
19K32.3Very low30.6Very low181 Ų181154.2 Ų154.279%0.78782%0.822SS**  trans-140.1156.1-161.5-156.2-171.8166.5-123.60113.1
20D28.3Very low30.8Very low110 Ų110154.2 Ų154.259%0.58883%0.829SS**  trans74.7136.7158.8-70.1-45.9000120.8
21R32Very low30.9Very low247 Ų247156.2 Ų156.293%0.93284%0.839SS**  trans54.5113.2150-64.1175.8-179.6-166.8-1.6120.4
22G27.6Very low31.1Very low82 Ų82156.1 Ų156.185%0.84584%0.841SS**  trans-167.5106.615900000113.4R24G22-R24 PolarHBondContact O-N 3.45Å
23T34.4Very low31.2Very low144 Ų144154.5 Ų154.588%0.88384%0.84SS**  trans-76.3117.3172.844.30000111.2
24R30.7Very low31.3Very low243 Ų243157.6 Ų157.692%0.91784%0.84SS**  trans-163127.8158.4-112.6167.5-168.8-163.11.5112.1G22G22-R24 PolarHBondContact O-N 3.45Å
25S30.7Very low31.6Very low119 Ų119158.4 Ų158.483%0.83284%0.843SS**PPolyproline II helixtrans-78.3134.6168.9-46.70000110.5
26P33.9Very low31.7Very low123 Ų123153 Ų15380%0.79984%0.838SS**PPolyproline II helixtrans-80.8144.1161-12.630.1000111.2
27L25.3Very low32.1Very low169 Ų169159.7 Ų159.789%0.88584%0.841SS**PPolyproline II helixtrans-48.6148.2-176.6-84100.5000116.4
28L29.2Very low32.4Very low166 Ų166158.5 Ų158.587%0.86983%0.83SS**PPolyproline II helixtrans-62.1139.2152.6-66.6163.8000110.4
29S29.9Very low32.7Very low113 Ų113162.6 Ų162.679%0.7983%0.833SS**PPolyproline II helixtrans-95.7141.5156-68.70000109.4
30P33.8Very low33.1Very low124 Ų124161.4 Ų161.481%0.80583%0.829SS**PPolyproline II helixtrans-83.9136.4-163.8-1028.4000113.4
31L33.5Very low33.3Very low169 Ų169164.2 Ų164.289%0.88584%0.841SS**PPolyproline II helixtrans-103.4134159.8-72.4176.1000109.4
32H34.4Very low34.2Very low174 Ų174157.1 Ų157.181%0.80683%0.825SS**PPolyproline II helixtrans-64.6128.1-174.5-74.2-92.8000112.8K34H32-K34 PolarHBondContact O-N 3.16Å
33P35.7Very low35.1Very low126 Ų126161.4 Ų161.482%0.81883%0.829SS**  trans-76.7104.9168.630.8-32.2000110.1
34K39Very low35.9Very low193 Ų193161.7 Ų161.784%0.83983%0.825SS**  trans-100.199.7168.6-78.9-172175.9179.50110.8H32H32-K34 PolarHBondContact O-N 3.16Å
35R37Very low36.7Very low242 Ų242153.1 Ų153.191%0.91381%0.812SS**  trans55.367.8161.2-62.2-176.1174.4179.5-2.5116.7
36V32.9Very low37.3Very low134 Ų134152.6 Ų152.681%0.81280%0.804SS**  trans-78.2127.2141.7177.20000107.2Q38V36-Q38 PolarHBondContact O-N 2.95Å; V36-Q38 VanDerWaalsContact O-N 3.11Å
37R35.7Very low37.3Very low239 Ų239151.6 Ų151.690%0.90281%0.806SS**  trans-78.586.4169.4-94.1-180159.8160.9-8.5109.1L39R37-L39 PolarHBondContact O-N 3.22Å
38Q36.6Very low37.9Very low151 Ų151150.7 Ų150.771%0.70680%0.8SS**  trans-82.996.3173.6-170.7171.21.800109.6V36 H40V36-Q38 PolarHBondContact O-N 2.95Å; V36-Q38 VanDerWaalsContact O-N 3.11Å; Q38-H40 PolarHBondContact O-N 3.09Å
39L33.4Very low38.4Very low166 Ų166150.4 Ų150.487%0.86980%0.798SS**  trans-62.5124.1168.8-68.5168.7000109R37R37-L39 PolarHBondContact O-N 3.22Å
40H40.2Very low38.5Very low155 Ų155153.6 Ų153.672%0.71880%0.801SS**  trans-106.3140.3158.2-88.278.1000108Q38Q38-H40 PolarHBondContact O-N 3.09Å
41M33.2Very low38.5Very low169 Ų169153.6 Ų153.683%0.83380%0.801SS**  trans-101.3146.3164.1-64.2-178.166.500108.1
42T51.6Low38.4Very low99 Ų99150.7 Ų150.761%0.60780%0.801SS**  trans-107.9153.6162.848.70000108.5D44 G45T42-D44 PolarHBondContact O-N 3.5Å; T42-D44 VanDerWaalsContact O-N 3.09Å; T42-G45 PolarHBondContact O-N 3.26Å
43D46Very low38.2Very low171 Ų171148 Ų14891%0.91480%0.802SS**THydrogen-bonded Turntrans-69.5-13-162.4-58.8-62.9000114.9G45D43-G45 VanDerWaalsContact C-N 3.32Å; D43-G45 PolarHBondContact O-N 3.35Å
44D50.7Low38.4Very low150 Ų150148.2 Ų148.280%0.80280%0.803SS**THydrogen-bonded Turntrans-88.715.2176.3-59.1-52.6000114.4T42 T46T42-D44 PolarHBondContact O-N 3.5Å; T42-D44 VanDerWaalsContact O-N 3.09Å; D44-T46 VanDerWaalsContact C-N 3.26Å; D44-T46 PolarHBondContact O-N 3.11Å; D44-T46 PolarHBondContact O-OG1 3.33Å
45G47.9Very low38Very low63 Ų63143.6 Ų143.665%0.64980%0.801SS**  trans66.78158.700000118.2T42 D43T42-G45 PolarHBondContact O-N 3.26Å; D43-G45 VanDerWaalsContact C-N 3.32Å; D43-G45 PolarHBondContact O-N 3.35Å
46T42.6Very low37.8Very low109 Ų109137.7 Ų137.767%0.66980%0.797SS**  trans-114.7120-173.4-54.10000111.7D44D44-T46 VanDerWaalsContact C-N 3.26Å; D44-T46 PolarHBondContact O-N 3.11Å; D44-T46 PolarHBondContact O-OG1 3.33Å
47A34.8Very low38.5Very low101 Ų101136 Ų13684%0.83579%0.789SS**  trans-97.7123.9-178.800000112.4
48I38.5Very low38.2Very low150 Ų150133.5 Ų133.577%0.76979%0.787SS**  trans-111.1139.2176.8-58.9177.7000109.5
49I38.2Very low38Very low160 Ų160132.2 Ų132.282%0.82179%0.794SS**  trans-120.9109.2177.5-59.3171.7000108.4
50E33.8Very low37.7Very low180 Ų180127.7 Ų127.784%0.84179%0.788SS**PPolyproline II helixtrans-86.1131.3172.8-69.7-162.7130.700112.1
51P34Very low37.1Very low125 Ų125127 Ų12781%0.81280%0.795SS**PPolyproline II helixtrans-89.3128.8170.433.7-30.9000111.5
52A30.9Very low36.9Very low107 Ų107126.5 Ų126.588%0.88479%0.79SS**PPolyproline II helixtrans-81.7137.1177.500000112.7
53S30.6Very low35.9Very low119 Ų119127.4 Ų127.483%0.83280%0.796SS**  trans-141.7163.3172-121.40000110.8
54P39.7Very low35.1Very low130 Ų130125.7 Ų125.784%0.84479%0.791SS**  trans-88.4164.7-15033.8-37.7000116.4
55A29.8Very low34.7Very low96 Ų96123.7 Ų123.779%0.79379%0.786SS**  trans-128.5141.7-173.200000114.8
56S33.2Very low33.7Very low118 Ų118131.3 Ų131.383%0.82580%0.797SS**  trans-179.8172168.1-81.50000107.1
57P46.5Very low33Very low99 Ų99132.9 Ų132.964%0.64380%0.801SS**  cis-140.5-171.510.524.53.3000116.5
58H29.3Very low32.7Very low185 Ų185138.3 Ų138.386%0.85680%0.8SS**  trans81.1130.6149.5-60.5-47.1000124.2
59S32.8Very low32.1Very low124 Ų124136.2 Ų136.287%0.86779%0.794SS**  trans-151.5144.7136.764.80000108.8
60G27.7Very low31.6Very low72 Ų72135.5 Ų135.574%0.74279%0.792SS**  trans-173.6160.9179.200000115.2
61V26.8Very low31.5Very low141 Ų141132.9 Ų132.986%0.85579%0.788SS**  trans-156.9144.6-173.6173.90000109.3
62Q30.2Very low31.5Very low157 Ų157132.4 Ų132.473%0.73479%0.786SS**  cis-169.2141.3-30.9-98.2-143.899.300108.6
63V30.2Very low31.8Very low119 Ų119133.8 Ų133.872%0.72178%0.783SS**  trans68.3147.5145.5175.60000117.1
64V28.3Very low32.4Very low135 Ų135133.5 Ų133.582%0.81878%0.779SS**  cis-127.6165.615-119.90000112.1
65P42.9Very low33Very low107 Ų107132.9 Ų132.970%0.69577%0.774SS**  trans-111.7174.9-170.342.7-35.5000115.9
66Y27.7Very low33.3Very low224 Ų224132.9 Ų132.988%0.87878%0.775SS**  trans-162.2125.5134.3-112.4-70.6000113.6
67D27Very low33.2Very low141 Ų141134.4 Ų134.475%0.75478%0.778SS**  trans47157.5153.6-112.5-55.4000127.5
68R27.6Very low32.3Very low215 Ų215136.5 Ų136.581%0.81178%0.784SS**  trans74.599.2154.5-87.9-173.8163149.4-1.1123.9
69T27.4Very low32.4Very low106 Ų106134.7 Ų134.765%0.6578%0.78SS**  50.2116.5120.758.40000121.9
70D26.9Very low32.5Very low145 Ų145133.3 Ų133.378%0.77577%0.77SS**  trans79.1129.5132.7-69.5-64.1000124.1
71T32.2Very low32.7Very low125 Ų125138.2 Ų138.277%0.76778%0.776SS**  trans-35.2142.3167.5-39.10000117.9
72P34.6Very low32.9Very low116 Ų116136 Ų13675%0.75377%0.767SS**  trans-137.4126.514435.4-20.8000115.5
73T35.9Very low33.7Very low135 Ų135134 Ų13483%0.82877%0.767SS**  trans-81.3143.114030.50000109
74P43.9Very low33.8Very low114 Ų114133.7 Ų133.774%0.7477%0.771SS**  -157.9-155.711241-21.1000112.2
75P51.3Low33.9Very low116 Ų116132.4 Ų132.475%0.75377%0.768SS**  cis-124.4-175.5-39.219.72.8000112.9
76A36Very low33.3Very low97 Ų97136.9 Ų136.980%0.80277%0.771SS**  trans-114.816215700000110.9
77V32.7Very low33.3Very low149 Ų149134.1 Ų134.190%0.90377%0.765SS**  trans-149157.5175.8-760000112
78D26.1Very low33.3Very low143 Ų143133.5 Ų133.577%0.76577%0.767SS**  trans-153.7171.8-177.6-175.525.4000111
79L32.9Very low34Very low148 Ų148128.2 Ų128.278%0.77576%0.761SS**  trans77.9148.9170.7-50.6179.4000116.4
80S34.1Very low34Very low94 Ų94128.3 Ų128.366%0.65777%0.766SS**  cis-156.1148.67.847.40000115.4
81M31.2Very low34Very low175 Ų175126.8 Ų126.886%0.86277%0.766SS**  trans61.3154.4143.9-65.8174.682.500121.1
82S32.2Very low34.9Very low96 Ų96126.4 Ų126.467%0.67177%0.766SS**  cis-178.4-173.9-15-880000107.3
83P47.6Very low34.5Very low113 Ų113129.1 Ų129.173%0.73477%0.769SS**  cis-133.7-165.1-644.1-26000114.9
84S30.4Very low34.5Very low114 Ų114130 Ų13080%0.79777%0.766SS**  trans29.3136.5144.7-60.60000122.1
85S32.2Very low33.7Very low107 Ų107130 Ų13075%0.74877%0.769SS**  cis-164.6-169.425.3-151.10000109.6
86R29.3Very low32.6Very low201 Ų201132.3 Ų132.376%0.75878%0.776SS**  cis-160.5146.99.8-163.7-175.4-75.3-147.51.9112.6
87H28.5Very low32.2Very low166 Ų166131.6 Ų131.677%0.76978%0.777SS**  trans58139.7160.4-68.1-36000124.3
88T26.1Very low31.8Very low128 Ų128130 Ų13079%0.78577%0.773SS**  trans-113.1-162.3163.255.20000107.4
89P42.7Very low31.7Very low105 Ų105134.1 Ų134.168%0.68278%0.779SS**  cis-142.6-171.5-0.636.4-12.3000117.2
90S26.5Very low31.6Very low108 Ų108132.6 Ų132.676%0.75578%0.776SS**  trans71.1130.9140.957.30000123.9
91S28.9Very low32.2Very low112 Ų112133.1 Ų133.178%0.78378%0.777SS**  trans-71.5-178.7153.6-26.80000111.3
92P51.1Low32.1Very low118 Ų118130.8 Ų130.877%0.76678%0.778SS**  cis-150.5-146.642.438.8-12.3000115.4
93E25Very low31.9Very low173 Ų173129.6 Ų129.681%0.80878%0.781SS**  trans108.2156.3160.6-63.4-89.565.400118.7
94I35.9Very low31Very low152 Ų152128.5 Ų128.578%0.77978%0.781SS**  trans-133.3146.6-158.1-52.8164.7000109.6
95S27.6Very low31.1Very low115 Ų115132.5 Ų132.580%0.80479%0.785SS**  trans-146.9149.5163.561.50000113.3
96N28.5Very low31Very low165 Ų165135.6 Ų135.688%0.88279%0.787SS**  trans-96.3152.7-176.8-70.6-51.1000111.9
97G26.2Very low31Very low81 Ų81135.6 Ų135.684%0.83579%0.793SS**  trans-165.5106.617100000112.6
98S26Very low31.2Very low116 Ų116136.1 Ų136.181%0.81179%0.793SS**  trans-97.7133.3-172.7-53.70000113.3
99Y23.8Very low31.5Very low229 Ų229136.3 Ų136.390%0.89879%0.794SS**  trans-156.2149.3144-142.9-107.5000114
100V30.9Very low31.2Very low116 Ų116137 Ų13770%0.70380%0.799SS**  trans-154.4161.8-176.3-137.90000104.4
101P46.9Very low31.5Very low105 Ų105140 Ų14068%0.68281%0.805SS**  cis-145.8179.217.844.6-25.7000117.7
102S28.3Very low31.5Very low126 Ų126137.7 Ų137.788%0.88180%0.798SS**  trans167.6133.5134.5-760000110.5
103G28.3Very low31Very low71 Ų71138.6 Ų138.673%0.73280%0.804SS**  cis172.5139.8-1000000112.3
104A28.3Very low31.2Very low90 Ų90133.9 Ų133.974%0.74480%0.802SS**  trans61.3157.2174.300000117.1
105F31.9Very low31Very low199 Ų199132 Ų13287%0.87381%0.809SS**  cis-124.6157.8-1.5-83.1-94.3000110.6
106Q31.5Very low31.2Very low172 Ų172130 Ų13080%0.80481%0.807SS**  trans-140.3127.1173.5-154.4170.118.200110
107F28.6Very low31.2Very low201 Ų201130.1 Ų130.188%0.88281%0.806SS**  trans-106.1142.4171.3-94.4-89.3000109.6
108F31.6Very low31.4Very low176 Ų176133.8 Ų133.877%0.77280%0.802SS**  trans-116.4129.7-178.5-117.4-88.7000110.6
109V32.3Very low31.6Very low132 Ų132136.2 Ų136.280%0.881%0.805SS**  trans-142131.9161.8-177.90000106.7
110P37Very low32.1Very low121 Ų121130.2 Ų130.279%0.78679%0.794SS**  trans-85.2161.8-168.534-36.8000113.9
111I32.8Very low32Very low171 Ų171130.4 Ų130.488%0.87780%0.8SS**  trans-113.3129.1171.5-64.1176.2000108.8
112G29.3Very low31.3Very low62 Ų62131 Ų13164%0.63981%0.807SS**  trans-87.4154169.700000112.2
113P39.4Very low31.5Very low138 Ų138133.4 Ų133.490%0.89681%0.806SS**  trans-82.5145.7-173.933.4-35.5000113.2
114G30.1Very low31.9Very low74 Ų74139.9 Ų139.976%0.76381%0.814SS**  trans-176118.7170.500000113.8
115A30.8Very low32.2Very low111 Ų111143.3 Ų143.392%0.91782%0.819SS**  trans41.6116.5165.200000119
116G32Very low32.1Very low74 Ų74136.1 Ų136.176%0.76380%0.8SS**  trans-96.8178.6168.200000113.1
117L29Very low32Very low167 Ų167136.8 Ų136.887%0.87480%0.804SS**  trans-160.7132.5150.2-105.7174.2000111
118H31.4Very low32.1Very low159 Ų159132.5 Ų132.574%0.73679%0.794SS**  trans41.699.1150.5-160.2-86.6000120.2
119L29.9Very low32.1Very low167 Ų167129.8 Ų129.887%0.87480%0.797SS**PPolyproline II helixtrans-86129.2162.8-79.880.4000111.8
120P33.3Very low32Very low103 Ų103129.9 Ų129.967%0.66979%0.793SS**PPolyproline II helixtrans-91.8156.3147.629-17.7000111.3
121S29.7Very low32.2Very low119 Ų119133.4 Ų133.483%0.83280%0.796SS**PPolyproline II helixtrans-59.6144.9-171.6-54.50000115M123S121-M123 PolarHBondContact O-N 2.93Å
122S30.9Very low32.1Very low119 Ų119136.9 Ų136.983%0.83280%0.798SS**  trans-62.7113.5178.655.50000112.8
123M33.1Very low32.1Very low175 Ų175137.1 Ų137.186%0.86279%0.794SS**  trans-73.5141.7168-68-161.5-66.700111.3S121 I125S121-M123 PolarHBondContact O-N 2.93Å; M123-I125 PolarHBondContact O-N 3.09Å
124F36.2Very low31.9Very low207 Ų207135.1 Ų135.191%0.90878%0.783SS**  trans-60.2116.3164.9-98.3-115.2000109.7G126F124-G126 PolarHBondContact O-N 2.89Å
125I34.9Very low32.2Very low163 Ų163136.3 Ų136.384%0.83678%0.777SS**  trans-7969160.6-51.7-178.6000108.1M123M123-I125 PolarHBondContact O-N 3.09Å
126G30.6Very low32.3Very low47 Ų47138.6 Ų138.649%0.48577%0.774SS.*  trans-63.9128.715400000107.5F124 T128F124-G126 PolarHBondContact O-N 2.89Å; G126-T128 PolarHBondContact O-N 3.19Å
127Q29.1Very low32.6Very low187 Ų187139.9 Ų139.987%0.87476%0.763SS**  trans-66.299.8176-71.9-176.70.700109.2S129Q127-S129 VanDerWaalsContact C-N 3.27Å; Q127-S129 PolarHBondContact O-N 3.44Å
128T29.7Very low32.8Very low111 Ų111136.7 Ų136.768%0.68176%0.755SS**  trans-63.793.2163.346.80000107.4G126 D130G126-T128 PolarHBondContact O-N 3.19Å; T128-D130 VanDerWaalsContact C-N 3.27Å; T128-D130 PolarHBondContact O-N 3.49Å
129S32.9Very low33.5Very low119 Ų119133.3 Ų133.383%0.83275%0.754SS**  trans-66.594.5168.759.70000107.4Q127Q127-S129 VanDerWaalsContact C-N 3.27Å; Q127-S129 PolarHBondContact O-N 3.44Å
130D29.5Very low34.2Very low133 Ų133131.6 Ų131.671%0.71175%0.746SS**  trans-59.2157.3-160.4-85.8-54.9000115.1T128 R132T128-D130 VanDerWaalsContact C-N 3.27Å; T128-D130 PolarHBondContact O-N 3.49Å; D130-R132 VanDerWaalsContact C-N 3.32Å; D130-R132 PolarHBondContact O-N 3.37Å
131K42.1Very low35.3Very low196 Ų196133.4 Ų133.485%0.85275%0.746SS**  trans-61.988.8177.5-62.7176-177.1175.10111.2A133K131-A133 VanDerWaalsContact C-N 3.31Å; K131-A133 HydrophobicContact CB-CB 4.38Å; K131-A133 WeakPolarHBondContact O-CB 3.38Å
132R29.2Very low37Very low243 Ų243132.6 Ų132.692%0.91773%0.729SS**  -8388.3117-70.5-172.2-179.8-167.1-1.9105.5D130D130-R132 VanDerWaalsContact C-N 3.32Å; D130-R132 PolarHBondContact O-N 3.37Å
133A30.4Very low39.1Very low67 Ų67130 Ų13055%0.55471%0.705SS**  45.3123.664.800000109.8K131K131-A133 VanDerWaalsContact C-N 3.31Å; K131-A133 HydrophobicContact CB-CB 4.38Å; K131-A133 WeakPolarHBondContact O-CB 3.38Å
134S34.2Very low41.5Very low97 Ų97123.3 Ų123.368%0.67868%0.678SS**  trans-46.1141.1161.2-56.90000108D136S134-D136 PolarHBondContact O-N 3.32Å
135P38.3Very low43.9Very low98 Ų98113.5 Ų113.564%0.63664%0.635SS**  trans-61.7111.6163.729.4-31.4000105.7L137P135-L137 HydrophobicContact CB-CD2 3.94Å; P135-L137 HydrophobicContact CB-CG 3.94Å; P135-L137 HydrophobicContact CG-CD1 4.41Å; P135-L137 HydrophobicContact CG-CD2 4.4Å; P135-L137 HydrophobicContact CG-CG 4.1Å; P135-L137 PolarHBondContact O-N 2.73Å
136D31.7Very low46.3Very low159 Ų159111.8 Ų111.885%0.8562%0.618SS**  trans-66.576.7157.1-73.7-44.4000105.8S134 S138S134-D136 PolarHBondContact O-N 3.32Å; D136-S138 PolarHBondContact O-N 2.88Å; D136-S138 VanDerWaalsContact O-N 3.16Å
137L38.7Very low48.9Very low102 Ų102110.1 Ų110.153%0.53460%0.597SS.*  trans-60.3115.7165.5-62.2172.9000104.4P135 E141P135-L137 HydrophobicContact CB-CD2 3.94Å; P135-L137 HydrophobicContact CB-CG 3.94Å; P135-L137 HydrophobicContact CG-CD1 4.41Å; P135-L137 HydrophobicContact CG-CD2 4.4Å; P135-L137 HydrophobicContact CG-CG 4.1Å; P135-L137 PolarHBondContact O-N 2.73Å; L137-E141 WeakPolarHBondContact CD1-OE2 3.5Å
138S33.6Very low51.5Low100 Ų100108.4 Ų108.470%0.69959%0.586SS**  trans-44144.2164.649.70000109.2D136D136-S138 PolarHBondContact O-N 2.88Å; D136-S138 VanDerWaalsContact O-N 3.16Å
139A46.2Very low54Low87 Ų87112.2 Ų112.272%0.71959%0.594SS**THydrogen-bonded Turntrans-45.9147.5177.200000111.6
140D43.6Very low56.4Low131 Ų131107 Ų10770%0.70156%0.557SS**THydrogen-bonded Turntrans8616.5174.5-48.8-43.8000119.5Q142D140-Q142 PolarHBondContact O-N 2.95Å; D140-Q142 PolarHBondContact OD1-NE2 2.83Å
141E57.6Low58.8Low142 Ų142106.3 Ų106.366%0.66455%0.549SS*.  trans-72.763.2149.9-82.2-143.4133.800111L137L137-E141 WeakPolarHBondContact CD1-OE2 3.5Å
142Q64.1Low60.9Low102 Ų102101.5 Ų101.548%0.47753%0.532SS..  trans-64.9132.1176.6-65.8170-3.900110.3D140 A144 L153D140-Q142 PolarHBondContact O-N 2.95Å; D140-Q142 PolarHBondContact OD1-NE2 2.83Å; Q142-A144 VanDerWaalsContact C-N 3.3Å; Q142-A144 PolarHBondContact O-N 2.91Å; Q142-L153 HydrophobicContact CB-CD2 4.11Å
143L76Confident63.6Low63 Ų6394.6 Ų94.633%0.3351%0.513SS..  trans-78.879.2-172.8-67.5164.3000111F154 L157 L160L143-F154 HydrophobicContact CB-CB 4.45Å; L143-F154 WeakPolarHBondContact CB-O 3.39Å; L143-F154 PolarHBondContact N-O 3.22Å; L143-F154 WeakPolarHBondContact O-CD2 3.45Å; L143-F154 PolarHBondContact O-N 3.02Å; L143-L157 HydrophobicContact CD1-CB 3.98Å; L143-L160 HydrophobicContact CB-CD2 4.02Å
144A83.8Confident66.1Low36 Ų3693.2 Ų93.230%0.29850%0.495SS..  trans-71.7131.1-177.100000113.1Q142 L153Q142-A144 VanDerWaalsContact C-N 3.3Å; Q142-A144 PolarHBondContact O-N 2.91Å; A144-L153 HydrophobicContact CB-CD2 3.77Å
145C86.3Confident68.5Low0 Ų096.5 Ų96.50%051%0.505CS..  trans-63.6135.3157.3-169.30000109C150 H151 L152 F154 L160C145-C150 CarbonylContact C-O 3.49Å; C145-H151 WeakPolarHBondContact O-CA 3.49Å; C145-L152 PolarHBondContact N-O 3.45Å; C145-F154 HydrophobicContact CB-CE2 4.35Å; C145-L160 HydrophobicContact CB-CD1 3.81Å
146R85.3Confident70.8Confident128 Ų12893.7 Ų93.748%0.48349%0.488SS..  trans-125.139.6174.9-56.4-177.361.1168.63.6111.2W181 E182R146-W181 HydrophobicContact CB-CD2 4.17Å; R146-W181 HydrophobicContact CB-CH2 4.32Å; R146-W181 HydrophobicContact CB-CZ2 3.75Å; R146-W181 HydrophobicContact CG-CZ2 4.17Å; R146-W181 VanDerWaalsContact N-CH2 3.32Å; R146-W181 CarbonylContact O-C 3.6Å; R146-W181 WeakPolarHBondContact O-CA 3.36Å; R146-E182 HydrophobicContact CB-CB 4.3Å; R146-E182 HydrophobicContact CB-CG 4.39Å; R146-E182 IonicContact CZ-OE2 2.88Å; R146-E182 VanDerWaalsContact CZ-OE2 3.24Å; R146-E182 IonicContact NE-OE2 2.77Å; R146-E182 PolarHBondContact NE-OE2 3.03Å; R146-E182 IonicContact NH2-OE2 3.77Å; R146-E182 PolarHBondContact NH2-OE2 3.27Å; R146-E182 PolarHBondContact O-N 3.3Å
147W85.4Confident73.4Confident11 Ų1189.2 Ų89.24%0.04246%0.463CS..BIsolated β-bridgetrans-80.6147.6171.9-154.2-84000109.4K149 C150 V164 H168 C178 H180 W181 I201W147-K149 PolarHBondContact O-N 2.82Å; W147-C150 HydrophobicContact CB-CB 4.14Å; W147-C150 PolarHBondContact N-O 3.22Å; W147-C150 PolarHBondContact O-N 2.83Å; W147-C150 VanDerWaalsContact O-O 3.07Å; W147-V164 HydrophobicContact CE3-CG1 3.89Å; W147-V164 HydrophobicContact CZ3-CG1 3.77Å; W147-H168 AromaticContact CD1-CG 3.86Å; W147-H168 AromaticContact CD1-ND1 3.81Å; W147-H168 HydrophobicContact CD2-CB 3.61Å; W147-H168 AromaticContact CD2-CD2 3.83Å; W147-H168 AromaticContact CD2-CG 3.68Å; W147-H168 HydrophobicContact CE3-CB 3.79Å; W147-H168 HydrophobicContact CG-CB 4.12Å; W147-H168 AromaticContact CG-CD2 3.61Å; W147-H168 AromaticContact CG-CG 3.65Å; W147-H168 AromaticContact CG-ND1 3.98Å; W147-H168 HydrophobicContact CH2-CB 4.13Å; W147-H168 HydrophobicContact CZ2-CB 3.92Å; W147-H168 HydrophobicContact CZ3-CB 4.05Å; W147-C178 WeakPolarHBondContact CZ2-O 3.48Å; W147-H180 AromaticContact NE1-CD2 3.8Å; W147-W181 HydrophobicContact CB-CE3 4.49Å; W147-W181 AromaticContact CE3-CE3 3.88Å; W147-W181 HydrophobicContact CE3-CE3 3.88Å; W147-I201 HydrophobicContact CH2-CD1 4.13Å; W147-I201 HydrophobicContact CZ3-CD1 3.86Å; W147-I201 HydrophobicContact CZ3-CG1 4.09Å
148K82.3Confident75.6Confident151 Ų15189 Ų8966%0.65746%0.46SS*.THydrogen-bonded Turntrans-54.3116.3177.5-172.7-176.6-178.6-175.50110.6H180K148-H180 HydrophobicContact CB-CB 3.87Å; K148-H180 WeakPolarHBondContact CB-O 3.48Å; K148-H180 PolarHBondContact N-O 3.3Å
149K82.2Confident78.1Confident192 Ų19288.4 Ų88.484%0.83545%0.448SS*.THydrogen-bonded Turntrans70.522-172.9-52.7-176.8175.2-171.80116.1W147W147-K149 PolarHBondContact O-N 2.82Å
150C83.2Confident80.1Confident9 Ų984.6 Ų84.66%0.06142%0.416CS..BIsolated β-bridgetrans-135.7121.1168.4-169.70000110.6C145 W147 H163 H168C145-C150 CarbonylContact C-O 3.49Å; W147-C150 HydrophobicContact CB-CB 4.14Å; W147-C150 PolarHBondContact N-O 3.22Å; W147-C150 PolarHBondContact O-N 2.83Å; W147-C150 VanDerWaalsContact O-O 3.07Å; C150-H163 PolarHBondContact SG-NE2 3.16Å; C150-H168 WeakPolarHBondContact CB-NE2 3.2Å
151H81.2Confident82.2Confident118 Ų11878.4 Ų78.455%0.54638%0.383SS..  trans-128.931.6179.8-56.3-74.8000110.6C145 E182C145-H151 WeakPolarHBondContact O-CA 3.49Å; H151-E182 IonicContact CE1-OE1 3.6Å
152L85.1Confident83.6Confident95 Ų9574.9 Ų74.950%0.49737%0.368SS..  trans-67.1140.5176.5-70.1174.4000110.6C145 F154C145-L152 PolarHBondContact N-O 3.45Å; L152-F154 HydrophobicContact CB-CE2 3.66Å; L152-F154 HydrophobicContact CB-CZ 3.87Å; L152-F154 HydrophobicContact CD1-CZ 4.46Å; L152-F154 WeakPolarHBondContact O-CE2 3.49Å
153L85.9Confident84.8Confident99 Ų9970.9 Ų70.952%0.51835%0.35SS..  trans-104.3143.5-177.3-56.9166000108.9Q142 A144Q142-L153 HydrophobicContact CB-CD2 4.11Å; A144-L153 HydrophobicContact CB-CD2 3.77Å
154F84.3Confident85.4Confident37 Ų3767.9 Ų67.916%0.16233%0.334CS..  trans-134.4142.1-177.9-62.1-90.2000110.9L143 C145 L152 S156 D159 L160 H163L143-F154 HydrophobicContact CB-CB 4.45Å; L143-F154 WeakPolarHBondContact CB-O 3.39Å; L143-F154 PolarHBondContact N-O 3.22Å; L143-F154 WeakPolarHBondContact O-CD2 3.45Å; L143-F154 PolarHBondContact O-N 3.02Å; C145-F154 HydrophobicContact CB-CE2 4.35Å; L152-F154 HydrophobicContact CB-CE2 3.66Å; L152-F154 HydrophobicContact CB-CZ 3.87Å; L152-F154 HydrophobicContact CD1-CZ 4.46Å; L152-F154 WeakPolarHBondContact O-CE2 3.49Å; F154-S156 VanDerWaalsContact C-N 3.27Å; F154-D159 HydrophobicContact CD1-CB 3.83Å; F154-L160 HydrophobicContact CB-CB 4.05Å; F154-L160 HydrophobicContact CD2-CB 3.84Å; F154-L160 HydrophobicContact CD2-CD1 3.72Å; F154-L160 HydrophobicContact CD2-CG 4.36Å; F154-L160 HydrophobicContact CE2-CD1 3.92Å; F154-L160 HydrophobicContact CG-CB 3.96Å; F154-H163 HydrophobicContact CE1-CB 3.8Å; F154-H163 HydrophobicContact CE2-CB 4.23Å; F154-H163 AromaticContact CE2-CD2 3.73Å; F154-H163 HydrophobicContact CZ-CB 3.47Å; F154-H163 VanDerWaalsContact CZ-CB 3.47Å; F154-H163 AromaticContact CZ-CD2 3.53Å; F154-H163 AromaticContact CZ-CG 3.34Å
155D83.7Confident85.5Confident167 Ų16767.5 Ų67.589%0.89333%0.327SS*.SBendtrans-81.2-10.6174.7-59.9-26.5000112.1
156S87.4Confident85.6Confident39 Ų3972.4 Ų72.427%0.27335%0.353SS..  trans-136.4136.3-172.2160.40000111.1F154 Q158 D159 L160F154-S156 VanDerWaalsContact C-N 3.27Å; S156-Q158 VanDerWaalsContact C-N 3.26Å; S156-Q158 PolarHBondContact O-N 2.77Å; S156-Q158 PolarHBondContact OG-N 3.36Å; S156-D159 VanDerWaalsContact CB-CG 3.41Å; S156-D159 VanDerWaalsContact CB-OD1 3.25Å; S156-D159 WeakPolarHBondContact CB-OD1 3.36Å; S156-D159 PolarHBondContact O-N 2.98Å; S156-D159 PolarHBondContact OG-N 3.13Å; S156-D159 PolarHBondContact OG-OD1 2.9Å; S156-L160 PolarHBondContact O-N 2.99Å
157L84.9Confident85.6Confident65 Ų6572.1 Ų72.134%0.3436%0.356SS..Hα-helixtrans-67-29.3176177.260.4000112.1L143 V161 T205L143-L157 HydrophobicContact CD1-CB 3.98Å; L157-V161 HydrophobicContact CD1-CG2 4.32Å; L157-V161 WeakPolarHBondContact O-CB 3.43Å; L157-V161 VanDerWaalsContact O-CG2 3.23Å; L157-V161 WeakPolarHBondContact O-CG2 3.27Å; L157-V161 PolarHBondContact O-N 2.88Å; L157-V161 VanDerWaalsContact O-N 3.1Å; L157-T205 VanDerWaalsContact CD1-O 3.27Å; L157-T205 WeakPolarHBondContact CD1-O 2.98Å
158Q85.3Confident85.6Confident98 Ų9874.2 Ų74.246%0.45837%0.366SS..Hα-helixtrans-68.3-45.2176.9-171.658.348.100110.2S156 L160 V161 D162S156-Q158 VanDerWaalsContact C-N 3.26Å; S156-Q158 PolarHBondContact O-N 2.77Å; S156-Q158 PolarHBondContact OG-N 3.36Å; Q158-L160 PolarHBondContact O-N 3.33Å; Q158-V161 WeakPolarHBondContact O-CB 3.47Å; Q158-V161 PolarHBondContact O-N 3.35Å; Q158-V161 VanDerWaalsContact O-N 3.07Å; Q158-D162 VanDerWaalsContact NE2-CG 3.27Å; Q158-D162 PolarHBondContact NE2-OD1 2.89Å; Q158-D162 PolarHBondContact NE2-OD2 3.15Å; Q158-D162 PolarHBondContact O-N 3.33Å
159D87.1Confident85.7Confident87 Ų8767.1 Ų67.147%0.46534%0.335SS..Hα-helixtrans-65.8-40.3-177.4-53.519.8000111.1F154 S156 H163F154-D159 HydrophobicContact CD1-CB 3.83Å; S156-D159 VanDerWaalsContact CB-CG 3.41Å; S156-D159 VanDerWaalsContact CB-OD1 3.25Å; S156-D159 WeakPolarHBondContact CB-OD1 3.36Å; S156-D159 PolarHBondContact O-N 2.98Å; S156-D159 PolarHBondContact OG-N 3.13Å; S156-D159 PolarHBondContact OG-OD1 2.9Å; D159-H163 WeakPolarHBondContact O-CB 3.23Å; D159-H163 PolarHBondContact O-N 3.4Å
160L87.5Confident85.7Confident6 Ų663.7 Ų63.73%0.03132%0.32CS..Hα-helixtrans-60.3-45170.1170.961.7000111.6L143 C145 F154 S156 Q158 V164 T205L143-L160 HydrophobicContact CB-CD2 4.02Å; C145-L160 HydrophobicContact CB-CD1 3.81Å; F154-L160 HydrophobicContact CB-CB 4.05Å; F154-L160 HydrophobicContact CD2-CB 3.84Å; F154-L160 HydrophobicContact CD2-CD1 3.72Å; F154-L160 HydrophobicContact CD2-CG 4.36Å; F154-L160 HydrophobicContact CE2-CD1 3.92Å; F154-L160 HydrophobicContact CG-CB 3.96Å; S156-L160 PolarHBondContact O-N 2.99Å; Q158-L160 PolarHBondContact O-N 3.33Å; L160-V164 HydrophobicContact CD1-CG2 4.05Å; L160-V164 VanDerWaalsContact O-CG2 3.25Å; L160-V164 WeakPolarHBondContact O-CG2 3.27Å; L160-V164 PolarHBondContact O-N 2.91Å; L160-T205 HydrophobicContact CD2-CG2 4.27Å; L160-T205 HydrophobicContact CG-CG2 4.35Å
161V87.4Confident85.5Confident2 Ų267.6 Ų67.61%0.01235%0.345CS..Hα-helixtrans-63.3-47.8-179.7161.30000110.7L157 Q158 V164 N165 T205 E207L157-V161 HydrophobicContact CD1-CG2 4.32Å; L157-V161 WeakPolarHBondContact O-CB 3.43Å; L157-V161 VanDerWaalsContact O-CG2 3.23Å; L157-V161 WeakPolarHBondContact O-CG2 3.27Å; L157-V161 PolarHBondContact O-N 2.88Å; L157-V161 VanDerWaalsContact O-N 3.1Å; Q158-V161 WeakPolarHBondContact O-CB 3.47Å; Q158-V161 PolarHBondContact O-N 3.35Å; Q158-V161 VanDerWaalsContact O-N 3.07Å; V161-V164 PolarHBondContact O-N 3.43Å; V161-N165 VanDerWaalsContact CG1-ND2 3.29Å; V161-N165 WeakPolarHBondContact CG1-ND2 3.15Å; V161-N165 WeakPolarHBondContact O-CB 3.22Å; V161-N165 PolarHBondContact O-N 3.46Å; V161-N165 PolarHBondContact O-ND2 2.88Å; V161-N165 VanDerWaalsContact O-ND2 3.13Å; V161-N165 PolarHBondContact O-OD1 3.38Å; V161-T205 HydrophobicContact CG2-CG2 4.05Å; V161-E207 HydrophobicContact CG2-CB 3.86Å; V161-E207 HydrophobicContact CG2-CG 3.95Å
162D87.3Confident85.4Confident67 Ų6766.7 Ų66.736%0.35834%0.341SS..Hα-helixtrans-70.4-38.6-177.8-66.4-28000111.9Q158 V164 N165 D166Q158-D162 VanDerWaalsContact NE2-CG 3.27Å; Q158-D162 PolarHBondContact NE2-OD1 2.89Å; Q158-D162 PolarHBondContact NE2-OD2 3.15Å; Q158-D162 PolarHBondContact O-N 3.33Å; D162-V164 VanDerWaalsContact C-N 3.35Å; D162-V164 PolarHBondContact O-N 3.38Å; D162-N165 PolarHBondContact O-N 2.93Å; D162-D166 PolarHBondContact O-N 3.26Å
163H89.5Confident84.6Confident18 Ų1871.7 Ų71.78%0.08336%0.359CS..Hα-helixtrans-53.5-50.2167.6167.367.3000111.9C150 F154 D159 N165 D166 F167 H168C150-H163 PolarHBondContact SG-NE2 3.16Å; F154-H163 HydrophobicContact CE1-CB 3.8Å; F154-H163 HydrophobicContact CE2-CB 4.23Å; F154-H163 AromaticContact CE2-CD2 3.73Å; F154-H163 HydrophobicContact CZ-CB 3.47Å; F154-H163 VanDerWaalsContact CZ-CB 3.47Å; F154-H163 AromaticContact CZ-CD2 3.53Å; F154-H163 AromaticContact CZ-CG 3.34Å; D159-H163 WeakPolarHBondContact O-CB 3.23Å; D159-H163 PolarHBondContact O-N 3.4Å; H163-N165 VanDerWaalsContact C-N 3.34Å; H163-N165 PolarHBondContact O-N 2.88Å; H163-D166 PolarHBondContact O-N 3.48Å; H163-F167 AromaticContact CE1-CD2 3.94Å; H163-F167 AromaticContact CE1-CG 3.8Å; H163-F167 AromaticContact ND1-CD2 3.32Å; H163-F167 VanDerWaalsContact ND1-CD2 3.32Å; H163-F167 WeakPolarHBondContact ND1-CD2 3.37Å; H163-F167 AromaticContact ND1-CE2 3.96Å; H163-F167 AromaticContact ND1-CG 3.67Å; H163-F167 VanDerWaalsContact O-CB 3.3Å; H163-F167 WeakPolarHBondContact O-CB 3.38Å; H163-F167 WeakPolarHBondContact O-CD2 3.25Å; H163-F167 PolarHBondContact O-N 3.46Å; H163-H168 AromaticContact NE2-CD2 3.92Å
164V87.9Confident84Confident0 Ų074.9 Ų74.90%038%0.377CS..Iπ-helixtrans-64.6-41.1179175.30000110.8W147 L160 V161 D162 D166 H168 V169 W181 I201W147-V164 HydrophobicContact CE3-CG1 3.89Å; W147-V164 HydrophobicContact CZ3-CG1 3.77Å; L160-V164 HydrophobicContact CD1-CG2 4.05Å; L160-V164 VanDerWaalsContact O-CG2 3.25Å; L160-V164 WeakPolarHBondContact O-CG2 3.27Å; L160-V164 PolarHBondContact O-N 2.91Å; V161-V164 PolarHBondContact O-N 3.43Å; D162-V164 VanDerWaalsContact C-N 3.35Å; D162-V164 PolarHBondContact O-N 3.38Å; V164-D166 VanDerWaalsContact C-N 3.34Å; V164-D166 PolarHBondContact O-N 3.17Å; V164-H168 HydrophobicContact CG1-CB 4.34Å; V164-H168 WeakPolarHBondContact O-CA 3.32Å; V164-H168 WeakPolarHBondContact O-CB 3.3Å; V164-H168 PolarHBondContact O-N 3.22Å; V164-V169 PolarHBondContact O-N 2.96Å; V164-V169 VanDerWaalsContact O-N 3.07Å; V164-W181 HydrophobicContact CG2-CZ3 4.07Å; V164-I201 HydrophobicContact CB-CG2 4.49Å; V164-I201 HydrophobicContact CG1-CD1 3.94Å; V164-I201 HydrophobicContact CG1-CG1 4.41Å; V164-I201 HydrophobicContact CG1-CG2 3.72Å
165N87.4Confident83.4Confident28 Ų2875.4 Ų75.415%0.1539%0.385CS..Iπ-helixtrans-62-36.6-179-67.1-23.4000113.2V161 D162 H163 V169 R194 L198V161-N165 VanDerWaalsContact CG1-ND2 3.29Å; V161-N165 WeakPolarHBondContact CG1-ND2 3.15Å; V161-N165 WeakPolarHBondContact O-CB 3.22Å; V161-N165 PolarHBondContact O-N 3.46Å; V161-N165 PolarHBondContact O-ND2 2.88Å; V161-N165 VanDerWaalsContact O-ND2 3.13Å; V161-N165 PolarHBondContact O-OD1 3.38Å; D162-N165 PolarHBondContact O-N 2.93Å; H163-N165 VanDerWaalsContact C-N 3.34Å; H163-N165 PolarHBondContact O-N 2.88Å; N165-V169 WeakPolarHBondContact O-CB 3.45Å; N165-R194 PolarHBondContact O-NH2 3.31Å; N165-L198 HydrophobicContact CB-CD2 4.16Å; N165-L198 WeakPolarHBondContact OD1-CD2 3.47Å
166D87.3Confident83.4Confident103 Ų10368.6 Ų68.655%0.55136%0.355SS*.Iπ-helixtrans-98.9-37.7-175.9-73.2-20.3000113.8D162 H163 V164 K170 R194D162-D166 PolarHBondContact O-N 3.26Å; H163-D166 PolarHBondContact O-N 3.48Å; V164-D166 VanDerWaalsContact C-N 3.34Å; V164-D166 PolarHBondContact O-N 3.17Å; D166-K170 WeakPolarHBondContact O-CE 3.22Å; D166-K170 PolarHBondContact O-NZ 3.21Å; D166-K170 VanDerWaalsContact O-NZ 3.15Å; D166-R194 IonicContact OD1-NH2 3.61Å
167F85.1Confident83.3Confident123 Ų12369 Ų6954%0.53935%0.35SS..Iπ-helixtrans-82.9-36.4-179.1-70.4-95.1000112.3H163 K170H163-F167 AromaticContact CE1-CD2 3.94Å; H163-F167 AromaticContact CE1-CG 3.8Å; H163-F167 AromaticContact ND1-CD2 3.32Å; H163-F167 VanDerWaalsContact ND1-CD2 3.32Å; H163-F167 WeakPolarHBondContact ND1-CD2 3.37Å; H163-F167 AromaticContact ND1-CE2 3.96Å; H163-F167 AromaticContact ND1-CG 3.67Å; H163-F167 VanDerWaalsContact O-CB 3.3Å; H163-F167 WeakPolarHBondContact O-CB 3.38Å; H163-F167 WeakPolarHBondContact O-CD2 3.25Å; H163-F167 PolarHBondContact O-N 3.46Å; F167-K170 PolarHBondContact O-NZ 2.83Å
168H85.6Confident83.4Confident54 Ų5466.6 Ų66.625%0.2534%0.339CS..Iπ-helixtrans-111.4-29.4-170.3-60.6-39.3000115.4W147 C150 H163 V164 K170W147-H168 AromaticContact CD1-CG 3.86Å; W147-H168 AromaticContact CD1-ND1 3.81Å; W147-H168 HydrophobicContact CD2-CB 3.61Å; W147-H168 AromaticContact CD2-CD2 3.83Å; W147-H168 AromaticContact CD2-CG 3.68Å; W147-H168 HydrophobicContact CE3-CB 3.79Å; W147-H168 HydrophobicContact CG-CB 4.12Å; W147-H168 AromaticContact CG-CD2 3.61Å; W147-H168 AromaticContact CG-CG 3.65Å; W147-H168 AromaticContact CG-ND1 3.98Å; W147-H168 HydrophobicContact CH2-CB 4.13Å; W147-H168 HydrophobicContact CZ2-CB 3.92Å; W147-H168 HydrophobicContact CZ3-CB 4.05Å; C150-H168 WeakPolarHBondContact CB-NE2 3.2Å; H163-H168 AromaticContact NE2-CD2 3.92Å; V164-H168 HydrophobicContact CG1-CB 4.34Å; V164-H168 WeakPolarHBondContact O-CA 3.32Å; V164-H168 WeakPolarHBondContact O-CB 3.3Å; V164-H168 PolarHBondContact O-N 3.22Å; H168-K170 VanDerWaalsContact C-N 3.26Å; H168-K170 PolarHBondContact O-N 3.5Å
169V83.9Confident83.4Confident3 Ų362.1 Ų62.12%0.01832%0.319CS..  trans-8371.1178.6-1710000111.7V164 N165 Y177 R194 M197 L198 I201V164-V169 PolarHBondContact O-N 2.96Å; V164-V169 VanDerWaalsContact O-N 3.07Å; N165-V169 WeakPolarHBondContact O-CB 3.45Å; V169-Y177 HydrophobicContact CG1-CD1 3.87Å; V169-Y177 HydrophobicContact CG1-CE1 4.26Å; V169-R194 HydrophobicContact CG1-CG 3.67Å; V169-R194 PolarHBondContact O-NE 2.85Å; V169-M197 HydrophobicContact CG1-CB 4.15Å; V169-M197 HydrophobicContact CG1-CG 3.72Å; V169-M197 HydrophobicContact CG2-CG 4.06Å; V169-L198 HydrophobicContact CB-CD2 4.4Å; V169-L198 HydrophobicContact CG1-CD2 4.17Å; V169-L198 HydrophobicContact CG2-CD2 4.12Å; V169-I201 HydrophobicContact CG2-CD1 3.17Å
170K81.8Confident83.4Confident120 Ų12061.6 Ų61.652%0.52231%0.313SS..  trans-112.3150175.9-72.4165.1-179.5147.60110.9D166 F167 H168D166-K170 WeakPolarHBondContact O-CE 3.22Å; D166-K170 PolarHBondContact O-NZ 3.21Å; D166-K170 VanDerWaalsContact O-NZ 3.15Å; F167-K170 PolarHBondContact O-NZ 2.83Å; H168-K170 VanDerWaalsContact C-N 3.26Å; H168-K170 PolarHBondContact O-N 3.5Å
171P80Confident83.3Confident90 Ų9062.2 Ų62.258%0.58432%0.315SS*.  trans-71.9128.7172.629.8-33000110.3Y177P171-Y177 HydrophobicContact CB-CE1 4.2Å; P171-Y177 HydrophobicContact CB-CE2 4.44Å
172E79.6Confident83Confident99 Ų9965.5 Ų65.546%0.46333%0.33SS..BIsolated β-bridgetrans-91.1136.6166.5176.3176.4-120.900108.1D174 S175 G176 C178E172-D174 VanDerWaalsContact C-N 3.3Å; E172-D174 PolarHBondContact O-N 3.2Å; E172-D174 VanDerWaalsContact O-N 3.09Å; E172-S175 VanDerWaalsContact CB-OG 3.29Å; E172-S175 WeakPolarHBondContact CB-OG 3.5Å; E172-S175 VanDerWaalsContact CD-OG 3.27Å; E172-S175 VanDerWaalsContact CG-OG 3.22Å; E172-S175 WeakPolarHBondContact CG-OG 3.41Å; E172-S175 PolarHBondContact O-N 2.56Å; E172-S175 WeakPolarHBondContact OE2-CB 3.29Å; E172-S175 PolarHBondContact OE2-OG 3.26Å; E172-G176 PolarHBondContact N-O 3.41Å; E172-G176 PolarHBondContact O-N 3.08Å; E172-C178 PolarHBondContact OE2-SG 3.05Å
173K68.7Low82.7Confident201 Ų20166 Ų6687%0.87435%0.351SS*.THydrogen-bonded Turntrans-54.9-39.1-155.5-71.3-174.8176.8-177.10114.8
174D71.9Confident82.5Confident165 Ų16565.5 Ų65.588%0.88235%0.349SS*.THydrogen-bonded Turntrans-119-5.6-169.9-47-79.2000113.4E172E172-D174 VanDerWaalsContact C-N 3.3Å; E172-D174 PolarHBondContact O-N 3.2Å; E172-D174 VanDerWaalsContact O-N 3.09Å
175S71.6Confident81.9Confident49 Ų4970.8 Ų70.834%0.34339%0.393SS..THydrogen-bonded Turntrans-117.9-11.2-17269.10000114.2E172 C178E172-S175 VanDerWaalsContact CB-OG 3.29Å; E172-S175 WeakPolarHBondContact CB-OG 3.5Å; E172-S175 VanDerWaalsContact CD-OG 3.27Å; E172-S175 VanDerWaalsContact CG-OG 3.22Å; E172-S175 WeakPolarHBondContact CG-OG 3.41Å; E172-S175 PolarHBondContact O-N 2.56Å; E172-S175 WeakPolarHBondContact OE2-CB 3.29Å; E172-S175 PolarHBondContact OE2-OG 3.26Å; S175-C178 PolarHBondContact OG-SG 3.27Å; S175-C178 VanDerWaalsContact OG-SG 3.41Å
176G85Confident81.1Confident24 Ų2473.9 Ų73.925%0.24740%0.403CS..BIsolated β-bridgetrans82-131.4-174.700000112.1E172E172-G176 PolarHBondContact N-O 3.41Å; E172-G176 PolarHBondContact O-N 3.08Å
177Y84.8Confident79.8Confident46 Ų4675.7 Ų75.718%0.1841%0.406CS..BIsolated β-bridgetrans-101.5108.6-179.1-65.2-93.2000110.4V169 P171 G190 F191 R194 M197V169-Y177 HydrophobicContact CG1-CD1 3.87Å; V169-Y177 HydrophobicContact CG1-CE1 4.26Å; P171-Y177 HydrophobicContact CB-CE1 4.2Å; P171-Y177 HydrophobicContact CB-CE2 4.44Å; Y177-G190 CarbonylContact O-C 3.58Å; Y177-G190 VanDerWaalsContact O-CA 3.28Å; Y177-G190 WeakPolarHBondContact O-CA 3.45Å; Y177-F191 PolarHBondContact N-O 3Å; Y177-F191 PolarHBondContact O-N 3.06Å; Y177-R194 HydrophobicContact CD1-CB 4.41Å; Y177-R194 HydrophobicContact CD1-CG 4.23Å; Y177-R194 HydrophobicContact CE1-CB 3.81Å; Y177-R194 HydrophobicContact CE1-CG 3.66Å; Y177-R194 HydrophobicContact CE2-CB 4.04Å; Y177-M197 HydrophobicContact CG-CB 4.46Å; Y177-M197 WeakPolarHBondContact O-CE 3.25Å
178C85.9Confident78.6Confident15 Ų1573.4 Ų73.410%0.10142%0.417CS..  trans-96140.6179.1-780000112.8W147 E172 S175 H180 M197W147-C178 WeakPolarHBondContact CZ2-O 3.48Å; E172-C178 PolarHBondContact OE2-SG 3.05Å; S175-C178 PolarHBondContact OG-SG 3.27Å; S175-C178 VanDerWaalsContact OG-SG 3.41Å; C178-H180 VanDerWaalsContact CB-NE2 3.27Å; C178-H180 WeakPolarHBondContact CB-NE2 3.35Å; C178-M197 WeakPolarHBondContact O-CE 3.41Å
179C86.5Confident77.9Confident5 Ų579.7 Ų79.73%0.03444%0.439CS..  trans-102.4119.9176.7-176.90000109.3M197C179-M197 HydrophobicContact CB-CE 3.74Å; C179-M197 HydrophobicContact CB-SD 3.88Å
180H85.6Confident77.6Confident75 Ų7580.8 Ų80.835%0.34745%0.451SS..  trans-113.125.9179.7-47.9-83.8000112.5W147 K148 C178W147-H180 AromaticContact NE1-CD2 3.8Å; K148-H180 HydrophobicContact CB-CB 3.87Å; K148-H180 WeakPolarHBondContact CB-O 3.48Å; K148-H180 PolarHBondContact N-O 3.3Å; C178-H180 VanDerWaalsContact CB-NE2 3.27Å; C178-H180 WeakPolarHBondContact CB-NE2 3.35Å
181W85.4Confident77.6Confident19 Ų1976.4 Ų76.47%0.07243%0.432CS..BIsolated β-bridgetrans-65143.9173.1-163-90.8000111.3R146 W147 V164 C184 H204R146-W181 HydrophobicContact CB-CD2 4.17Å; R146-W181 HydrophobicContact CB-CH2 4.32Å; R146-W181 HydrophobicContact CB-CZ2 3.75Å; R146-W181 HydrophobicContact CG-CZ2 4.17Å; R146-W181 VanDerWaalsContact N-CH2 3.32Å; R146-W181 CarbonylContact O-C 3.6Å; R146-W181 WeakPolarHBondContact O-CA 3.36Å; W147-W181 HydrophobicContact CB-CE3 4.49Å; W147-W181 AromaticContact CE3-CE3 3.88Å; W147-W181 HydrophobicContact CE3-CE3 3.88Å; V164-W181 HydrophobicContact CG2-CZ3 4.07Å; W181-C184 HydrophobicContact CB-CB 4.17Å; W181-C184 WeakPolarHBondContact O-CB 3.47Å; W181-C184 PolarHBondContact O-N 3.49Å; W181-H204 AromaticContact CD1-CD2 3.95Å; W181-H204 AromaticContact CD1-CG 3.56Å; W181-H204 AromaticContact CD1-ND1 3.64Å; W181-H204 HydrophobicContact CD2-CB 3.87Å; W181-H204 HydrophobicContact CG-CB 4.08Å; W181-H204 AromaticContact CG-CD2 3.7Å; W181-H204 AromaticContact CG-CG 3.73Å; W181-H204 HydrophobicContact CZ2-CB 4.02Å; W181-H204 AromaticContact NE1-CG 3.84Å
182E82.4Confident77.8Confident72 Ų7278.5 Ų78.534%0.33644%0.438SS..THydrogen-bonded Turntrans-60.3144.3176.3-70.4-177.8165.500112.1R146 H151 C184R146-E182 HydrophobicContact CB-CB 4.3Å; R146-E182 HydrophobicContact CB-CG 4.39Å; R146-E182 IonicContact CZ-OE2 2.88Å; R146-E182 VanDerWaalsContact CZ-OE2 3.24Å; R146-E182 IonicContact NE-OE2 2.77Å; R146-E182 PolarHBondContact NE-OE2 3.03Å; R146-E182 IonicContact NH2-OE2 3.77Å; R146-E182 PolarHBondContact NH2-OE2 3.27Å; R146-E182 PolarHBondContact O-N 3.3Å; H151-E182 IonicContact CE1-OE1 3.6Å; E182-C184 PolarHBondContact O-N 3.15Å
183G80Confident78Confident77 Ų7774.8 Ų74.879%0.79442%0.424SS*.THydrogen-bonded Turntrans62.1-2.7-176.700000116.5A185G183-A185 PolarHBondContact O-N 3.17Å; G183-A185 VanDerWaalsContact O-N 3.15Å
184C84.9Confident78.8Confident7 Ų770.2 Ų70.25%0.04740%0.402CS..  trans-62.1117.5-175178.90000112.4W181 E182 R186 K187 H200W181-C184 HydrophobicContact CB-CB 4.17Å; W181-C184 WeakPolarHBondContact O-CB 3.47Å; W181-C184 PolarHBondContact O-N 3.49Å; E182-C184 PolarHBondContact O-N 3.15Å; C184-R186 PolarHBondContact O-N 3.29Å; C184-K187 VanDerWaalsContact O-CG 3.23Å; C184-K187 WeakPolarHBondContact O-CG 3.09Å; C184-K187 PolarHBondContact O-N 2.82Å; C184-H200 PolarHBondContact SG-NE2 3.1Å
185A76.7Confident79.4Confident111 Ų11169 Ų6992%0.91739%0.386SS*.THydrogen-bonded Turntrans-65.75.6-179.800000115.5G183G183-A185 PolarHBondContact O-N 3.17Å; G183-A185 VanDerWaalsContact O-N 3.15Å
186R69.4Low80.2Confident93 Ų9370.2 Ų70.235%0.35139%0.385SS..THydrogen-bonded Turntrans-116.314.6180-77.5-169.759.4973.2114.6C184 G188 R189 G190C184-R186 PolarHBondContact O-N 3.29Å; R186-G188 PolarHBondContact O-N 3.38Å; R186-R189 PolarHBondContact NH2-O 3.07Å; R186-R189 PolarHBondContact O-N 3.25Å; R186-G190 PolarHBondContact NH2-O 2.94Å
187K61.4Low80.3Confident141 Ų14169.1 Ų69.161%0.61337%0.373SS*.THydrogen-bonded Turntrans-48.3128.1178.6-57.4-156.5179.7179.90110.8C184 R189C184-K187 VanDerWaalsContact O-CG 3.23Å; C184-K187 WeakPolarHBondContact O-CG 3.09Å; C184-K187 PolarHBondContact O-N 2.82Å; K187-R189 PolarHBondContact O-N 3.22Å
188G60Low80.3Confident76 Ų7669.3 Ų69.378%0.78438%0.377SS*.THydrogen-bonded Turntrans81.5-2.2-179.200000116.8R186R186-G188 PolarHBondContact O-N 3.38Å
189R70.1Confident80.3Confident185 Ų18570.9 Ų70.970%0.69838%0.384SS*.  trans-109.490.5174.1-61.2-165.1-163.3-148.45111.7R186 K187R186-R189 PolarHBondContact NH2-O 3.07Å; R186-R189 PolarHBondContact O-N 3.25Å; K187-R189 PolarHBondContact O-N 3.22Å
190G77.2Confident80.4Confident27 Ų2771.7 Ų71.728%0.27839%0.387SS..  trans-54.8160.317400000113.9Y177 R186Y177-G190 CarbonylContact O-C 3.58Å; Y177-G190 VanDerWaalsContact O-CA 3.28Å; Y177-G190 WeakPolarHBondContact O-CA 3.45Å; R186-G190 PolarHBondContact NH2-O 2.94Å
191F82Confident80.4Confident27 Ų2768.2 Ų68.212%0.11837%0.371CS..BIsolated β-bridgetrans-107.8133.5172-66.1-98.9000109.3Y177 A193 K196 M197 H200Y177-F191 PolarHBondContact N-O 3Å; Y177-F191 PolarHBondContact O-N 3.06Å; F191-A193 PolarHBondContact O-N 3.43Å; F191-A193 VanDerWaalsContact O-N 3.1Å; F191-K196 HydrophobicContact CB-CB 4.15Å; F191-K196 HydrophobicContact CD1-CB 3.63Å; F191-K196 HydrophobicContact CE1-CB 4.41Å; F191-K196 HydrophobicContact CG-CB 4.25Å; F191-M197 HydrophobicContact CD2-CE 3.5Å; F191-M197 HydrophobicContact CD2-SD 4.22Å; F191-M197 HydrophobicContact CE2-CE 3.92Å; F191-M197 HydrophobicContact CE2-SD 4.25Å; F191-H200 HydrophobicContact CE1-CB 4.16Å; F191-H200 HydrophobicContact CE2-CB 4.09Å; F191-H200 AromaticContact CE2-CD2 3.41Å; F191-H200 VanDerWaalsContact CE2-CD2 3.41Å; F191-H200 WeakPolarHBondContact CE2-CD2 3.47Å; F191-H200 AromaticContact CE2-CG 3.97Å; F191-H200 HydrophobicContact CZ-CB 3.53Å; F191-H200 AromaticContact CZ-CD2 3.47Å; F191-H200 VanDerWaalsContact CZ-CD2 3.47Å; F191-H200 WeakPolarHBondContact CZ-CD2 3.36Å; F191-H200 AromaticContact CZ-CG 3.57Å
192N83.6Confident80.4Confident134 Ų13469.9 Ų69.972%0.71738%0.377SS*.SBendtrans-76.211.5-179.573.9-27.1000115K196N192-K196 PolarHBondContact OD1-NZ 3.38Å
193A85.8Confident80.6Confident21 Ų2170.2 Ų70.217%0.17439%0.385CS..SBendtrans-160.6141.1176.900000112.2F191 Y195 K196 M197F191-A193 PolarHBondContact O-N 3.43Å; F191-A193 VanDerWaalsContact O-N 3.1Å; A193-Y195 VanDerWaalsContact C-N 3.33Å; A193-Y195 HydrophobicContact CB-CD1 3.69Å; A193-Y195 HydrophobicContact CB-CE1 3.52Å; A193-Y195 PolarHBondContact O-N 3.08Å; A193-K196 HydrophobicContact CB-CD 4.32Å; A193-K196 HydrophobicContact CB-CG 4.26Å; A193-K196 PolarHBondContact O-N 2.86Å; A193-K196 VanDerWaalsContact O-N 3.09Å; A193-M197 PolarHBondContact O-N 3.4Å
194R85.1Confident80.7Confident106 Ų10668.4 Ų68.440%0.436%0.355SS..Hα-helixtrans-54.6-44.9-178.2-161.6173.2-177.5-164-5.3112.2N165 D166 V169 Y177 K196 M197 L198N165-R194 PolarHBondContact O-NH2 3.31Å; D166-R194 IonicContact OD1-NH2 3.61Å; V169-R194 HydrophobicContact CG1-CG 3.67Å; V169-R194 PolarHBondContact O-NE 2.85Å; Y177-R194 HydrophobicContact CD1-CB 4.41Å; Y177-R194 HydrophobicContact CD1-CG 4.23Å; Y177-R194 HydrophobicContact CE1-CB 3.81Å; Y177-R194 HydrophobicContact CE1-CG 3.66Å; Y177-R194 HydrophobicContact CE2-CB 4.04Å; R194-K196 VanDerWaalsContact C-N 3.26Å; R194-K196 PolarHBondContact O-N 3.19Å; R194-M197 WeakPolarHBondContact O-CB 3.39Å; R194-M197 PolarHBondContact O-N 3.23Å; R194-L198 HydrophobicContact CG-CD1 4.28Å; R194-L198 HydrophobicContact CG-CG 4.44Å; R194-L198 WeakPolarHBondContact O-CG 3.27Å; R194-L198 PolarHBondContact O-N 2.98Å
195Y84.6Confident80.6Confident140 Ų14068.7 Ų68.755%0.54936%0.357SS..Hα-helixtrans-60.8-31.9-178.976.6-97000113.6A193 I199A193-Y195 VanDerWaalsContact C-N 3.33Å; A193-Y195 HydrophobicContact CB-CD1 3.69Å; A193-Y195 HydrophobicContact CB-CE1 3.52Å; A193-Y195 PolarHBondContact O-N 3.08Å; Y195-I199 HydrophobicContact CD2-CD1 4.13Å; Y195-I199 WeakPolarHBondContact O-CB 3.49Å; Y195-I199 WeakPolarHBondContact O-CD1 3.44Å; Y195-I199 VanDerWaalsContact O-CG1 3.25Å; Y195-I199 WeakPolarHBondContact O-CG1 3.23Å; Y195-I199 PolarHBondContact O-N 3.35Å
196K87.5Confident80.8Confident73 Ų7368.4 Ų68.432%0.31734%0.34SS..Hα-helixtrans-72.5-33.7177.3-59.5-179.8-174.5173.70111.4F191 N192 A193 R194 H200F191-K196 HydrophobicContact CB-CB 4.15Å; F191-K196 HydrophobicContact CD1-CB 3.63Å; F191-K196 HydrophobicContact CE1-CB 4.41Å; F191-K196 HydrophobicContact CG-CB 4.25Å; N192-K196 PolarHBondContact OD1-NZ 3.38Å; A193-K196 HydrophobicContact CB-CD 4.32Å; A193-K196 HydrophobicContact CB-CG 4.26Å; A193-K196 PolarHBondContact O-N 2.86Å; A193-K196 VanDerWaalsContact O-N 3.09Å; R194-K196 VanDerWaalsContact C-N 3.26Å; R194-K196 PolarHBondContact O-N 3.19Å; K196-H200 PolarHBondContact O-N 2.79Å; K196-H200 VanDerWaalsContact O-N 3.13Å
197M86.5Confident81.4Confident1 Ų164.8 Ų64.81%0.00533%0.327CS..Hα-helixtrans-66.5-48.8171.2177.9557700111.3V169 Y177 C178 C179 F191 A193 R194 I199 H200 I201V169-M197 HydrophobicContact CG1-CB 4.15Å; V169-M197 HydrophobicContact CG1-CG 3.72Å; V169-M197 HydrophobicContact CG2-CG 4.06Å; Y177-M197 HydrophobicContact CG-CB 4.46Å; Y177-M197 WeakPolarHBondContact O-CE 3.25Å; C178-M197 WeakPolarHBondContact O-CE 3.41Å; C179-M197 HydrophobicContact CB-CE 3.74Å; C179-M197 HydrophobicContact CB-SD 3.88Å; F191-M197 HydrophobicContact CD2-CE 3.5Å; F191-M197 HydrophobicContact CD2-SD 4.22Å; F191-M197 HydrophobicContact CE2-CE 3.92Å; F191-M197 HydrophobicContact CE2-SD 4.25Å; A193-M197 PolarHBondContact O-N 3.4Å; R194-M197 WeakPolarHBondContact O-CB 3.39Å; R194-M197 PolarHBondContact O-N 3.23Å; M197-I199 VanDerWaalsContact C-N 3.34Å; M197-I199 PolarHBondContact O-N 3.02Å; M197-H200 CarbonylContact O-C 3.5Å; M197-H200 WeakPolarHBondContact O-CA 3.23Å; M197-H200 WeakPolarHBondContact O-CB 3.28Å; M197-H200 PolarHBondContact O-N 3.26Å; M197-I201 HydrophobicContact CG-CD1 3.65Å; M197-I201 HydrophobicContact CG-CG1 4.42Å; M197-I201 PolarHBondContact O-N 3.41Å; M197-I201 HydrophobicContact SD-CD1 3.74Å; M197-I201 HydrophobicContact SD-CG1 3.97Å
198L85.8Confident82.5Confident50 Ų5063.2 Ų63.226%0.26232%0.32SS..Hα-helixtrans-55.9-47.9177.4-63.1170.7000111.1N165 V169 R194 H200 I201 R202N165-L198 HydrophobicContact CB-CD2 4.16Å; N165-L198 WeakPolarHBondContact OD1-CD2 3.47Å; V169-L198 HydrophobicContact CB-CD2 4.4Å; V169-L198 HydrophobicContact CG1-CD2 4.17Å; V169-L198 HydrophobicContact CG2-CD2 4.12Å; R194-L198 HydrophobicContact CG-CD1 4.28Å; R194-L198 HydrophobicContact CG-CG 4.44Å; R194-L198 WeakPolarHBondContact O-CG 3.27Å; R194-L198 PolarHBondContact O-N 2.98Å; L198-H200 PolarHBondContact O-N 3.13Å; L198-I201 PolarHBondContact O-N 3.13Å; L198-I201 VanDerWaalsContact O-N 3.14Å; L198-R202 PolarHBondContact O-N 3.23Å
199I86.4Confident83.6Confident49 Ų4962.7 Ų62.725%0.25130%0.303SS..Hα-helixtrans-63.4-24.6175.7-69.9168.3000113Y195 M197 R221Y195-I199 HydrophobicContact CD2-CD1 4.13Å; Y195-I199 WeakPolarHBondContact O-CB 3.49Å; Y195-I199 WeakPolarHBondContact O-CD1 3.44Å; Y195-I199 VanDerWaalsContact O-CG1 3.25Å; Y195-I199 WeakPolarHBondContact O-CG1 3.23Å; Y195-I199 PolarHBondContact O-N 3.35Å; M197-I199 VanDerWaalsContact C-N 3.34Å; M197-I199 PolarHBondContact O-N 3.02Å; I199-R221 HydrophobicContact CG2-CG 4Å
200H87.1Confident84.1Confident22 Ų2256.3 Ų56.310%0.10228%0.281CS..Hα-helixtrans-79.9-39.2172173.335.8000112.4C184 F191 K196 M197 L198 R202 T203 H204C184-H200 PolarHBondContact SG-NE2 3.1Å; F191-H200 HydrophobicContact CE1-CB 4.16Å; F191-H200 HydrophobicContact CE2-CB 4.09Å; F191-H200 AromaticContact CE2-CD2 3.41Å; F191-H200 VanDerWaalsContact CE2-CD2 3.41Å; F191-H200 WeakPolarHBondContact CE2-CD2 3.47Å; F191-H200 AromaticContact CE2-CG 3.97Å; F191-H200 HydrophobicContact CZ-CB 3.53Å; F191-H200 AromaticContact CZ-CD2 3.47Å; F191-H200 VanDerWaalsContact CZ-CD2 3.47Å; F191-H200 WeakPolarHBondContact CZ-CD2 3.36Å; F191-H200 AromaticContact CZ-CG 3.57Å; K196-H200 PolarHBondContact O-N 2.79Å; K196-H200 VanDerWaalsContact O-N 3.13Å; M197-H200 CarbonylContact O-C 3.5Å; M197-H200 WeakPolarHBondContact O-CA 3.23Å; M197-H200 WeakPolarHBondContact O-CB 3.28Å; M197-H200 PolarHBondContact O-N 3.26Å; L198-H200 PolarHBondContact O-N 3.13Å; H200-R202 PolarHBondContact O-N 3.49Å; H200-T203 PolarHBondContact ND1-OG1 2.85Å; H200-T203 WeakPolarHBondContact O-CB 3.41Å; H200-T203 PolarHBondContact O-N 2.77Å; H200-T203 PolarHBondContact O-OG1 2.73Å; H200-H204 AromaticContact CE1-CE1 3.63Å; H200-H204 AromaticContact CE1-NE2 3.25Å; H200-H204 PolarHBondContact CE1-NE2 3.34Å; H200-H204 AromaticContact NE2-NE2 3.38Å; H200-H204 PolarHBondContact NE2-NE2 3.03Å
201I85.7Confident84.6Confident1 Ų161.8 Ų61.81%0.00529%0.293CS..Hα-helixtrans-61.8-30.5-179.8-74.2160.3000111.7W147 V164 V169 M197 L198 T203 H204 T205W147-I201 HydrophobicContact CH2-CD1 4.13Å; W147-I201 HydrophobicContact CZ3-CD1 3.86Å; W147-I201 HydrophobicContact CZ3-CG1 4.09Å; V164-I201 HydrophobicContact CB-CG2 4.49Å; V164-I201 HydrophobicContact CG1-CD1 3.94Å; V164-I201 HydrophobicContact CG1-CG1 4.41Å; V164-I201 HydrophobicContact CG1-CG2 3.72Å; V169-I201 HydrophobicContact CG2-CD1 3.17Å; M197-I201 HydrophobicContact CG-CD1 3.65Å; M197-I201 HydrophobicContact CG-CG1 4.42Å; M197-I201 PolarHBondContact O-N 3.41Å; M197-I201 HydrophobicContact SD-CD1 3.74Å; M197-I201 HydrophobicContact SD-CG1 3.97Å; L198-I201 PolarHBondContact O-N 3.13Å; L198-I201 VanDerWaalsContact O-N 3.14Å; I201-T203 PolarHBondContact O-N 3.07Å; I201-T203 VanDerWaalsContact O-N 3.08Å; I201-H204 WeakPolarHBondContact O-CA 3.47Å; I201-H204 WeakPolarHBondContact O-CB 3.34Å; I201-H204 PolarHBondContact O-N 3.41Å; I201-T205 HydrophobicContact CG2-CG2 4.03Å; I201-T205 PolarHBondContact O-N 3.3Å; I201-T205 PolarHBondContact O-OG1 3.1Å
202R87.1Confident84.8Confident55 Ų5560.5 Ų60.521%0.20829%0.287CS..THydrogen-bonded Turntrans-57.2-17.1168-64.3-171.7172.3158.70115.4L198 H200 H204 N206 E207 S220L198-R202 PolarHBondContact O-N 3.23Å; H200-R202 PolarHBondContact O-N 3.49Å; R202-H204 VanDerWaalsContact C-N 3.32Å; R202-N206 WeakPolarHBondContact O-CA 3.41Å; R202-N206 PolarHBondContact O-N 2.81Å; R202-E207 HydrophobicContact CG-CB 4.22Å; R202-E207 VanDerWaalsContact CG-OE2 3.27Å; R202-E207 WeakPolarHBondContact CG-OE2 3.41Å; R202-E207 IonicContact CZ-OE1 2.67Å; R202-E207 IonicContact CZ-OE2 2.99Å; R202-E207 IonicContact NE-OE1 2.82Å; R202-E207 PolarHBondContact NE-OE1 3.42Å; R202-E207 IonicContact NE-OE2 3.54Å; R202-E207 PolarHBondContact NE-OE2 3.42Å; R202-E207 IonicContact NH2-OE1 3.95Å; R202-E207 PolarHBondContact NH2-OE1 3.32Å; R202-E207 IonicContact NH2-OE2 3.17Å; R202-S220 WeakPolarHBondContact CD-O 3.4Å; R202-S220 PolarHBondContact NH1-O 3.24Å
203T84.9Confident84.8Confident79 Ų7959.1 Ų59.149%0.48529%0.286SS..THydrogen-bonded Turntrans-83.1-10.6171.873.10000113.3H200 I201H200-T203 PolarHBondContact ND1-OG1 2.85Å; H200-T203 WeakPolarHBondContact O-CB 3.41Å; H200-T203 PolarHBondContact O-N 2.77Å; H200-T203 PolarHBondContact O-OG1 2.73Å; I201-T203 PolarHBondContact O-N 3.07Å; I201-T203 VanDerWaalsContact O-N 3.08Å
204H83.6Confident84.7Confident38 Ų3862.8 Ų62.818%0.17631%0.306CS..THydrogen-bonded Turntrans-104.8-47.6177-56.4-46.8000111.2W181 H200 I201 R202 N206W181-H204 AromaticContact CD1-CD2 3.95Å; W181-H204 AromaticContact CD1-CG 3.56Å; W181-H204 AromaticContact CD1-ND1 3.64Å; W181-H204 HydrophobicContact CD2-CB 3.87Å; W181-H204 HydrophobicContact CG-CB 4.08Å; W181-H204 AromaticContact CG-CD2 3.7Å; W181-H204 AromaticContact CG-CG 3.73Å; W181-H204 HydrophobicContact CZ2-CB 4.02Å; W181-H204 AromaticContact NE1-CG 3.84Å; H200-H204 AromaticContact CE1-CE1 3.63Å; H200-H204 AromaticContact CE1-NE2 3.25Å; H200-H204 PolarHBondContact CE1-NE2 3.34Å; H200-H204 AromaticContact NE2-NE2 3.38Å; H200-H204 PolarHBondContact NE2-NE2 3.03Å; I201-H204 WeakPolarHBondContact O-CA 3.47Å; I201-H204 WeakPolarHBondContact O-CB 3.34Å; I201-H204 PolarHBondContact O-N 3.41Å; R202-H204 VanDerWaalsContact C-N 3.32Å; H204-N206 VanDerWaalsContact C-N 3.27Å; H204-N206 PolarHBondContact O-N 2.79Å; H204-N206 PolarHBondContact O-ND2 3.47Å
205T81.5Confident84.7Confident13 Ų1359.5 Ų59.58%0.0830%0.299CS..SBendtrans-76.1-12.8176.561.60000113.3L157 L160 V161 I201 E207L157-T205 VanDerWaalsContact CD1-O 3.27Å; L157-T205 WeakPolarHBondContact CD1-O 2.98Å; L160-T205 HydrophobicContact CD2-CG2 4.27Å; L160-T205 HydrophobicContact CG-CG2 4.35Å; V161-T205 HydrophobicContact CG2-CG2 4.05Å; I201-T205 HydrophobicContact CG2-CG2 4.03Å; I201-T205 PolarHBondContact O-N 3.3Å; I201-T205 PolarHBondContact O-OG1 3.1Å; T205-E207 PolarHBondContact O-N 3.09Å; T205-E207 VanDerWaalsContact O-N 3.13Å; T205-E207 WeakPolarHBondContact OG1-CB 3.47Å; T205-E207 PolarHBondContact OG1-N 3.42Å
206N81.8Confident84.7Confident105 Ų10557.2 Ų57.256%0.56130%0.296SS*.  trans59.114.5-173.2-68.8-79.1000115.3R202 H204 K208R202-N206 WeakPolarHBondContact O-CA 3.41Å; R202-N206 PolarHBondContact O-N 2.81Å; H204-N206 VanDerWaalsContact C-N 3.27Å; H204-N206 PolarHBondContact O-N 2.79Å; H204-N206 PolarHBondContact O-ND2 3.47Å; N206-K208 WeakPolarHBondContact O-CE 3.06Å; N206-K208 WeakPolarHBondContact O-CG 3.36Å; N206-K208 PolarHBondContact O-N 3.21Å
207E82.6Confident84.5Confident17 Ų1759.8 Ų59.88%0.07931%0.307CS..  trans-58.4129.4177.2-175.4-132.8142.300112.2V161 R202 T205 P209 S220V161-E207 HydrophobicContact CG2-CB 3.86Å; V161-E207 HydrophobicContact CG2-CG 3.95Å; R202-E207 HydrophobicContact CG-CB 4.22Å; R202-E207 VanDerWaalsContact CG-OE2 3.27Å; R202-E207 WeakPolarHBondContact CG-OE2 3.41Å; R202-E207 IonicContact CZ-OE1 2.67Å; R202-E207 IonicContact CZ-OE2 2.99Å; R202-E207 IonicContact NE-OE1 2.82Å; R202-E207 PolarHBondContact NE-OE1 3.42Å; R202-E207 IonicContact NE-OE2 3.54Å; R202-E207 PolarHBondContact NE-OE2 3.42Å; R202-E207 IonicContact NH2-OE1 3.95Å; R202-E207 PolarHBondContact NH2-OE1 3.32Å; R202-E207 IonicContact NH2-OE2 3.17Å; T205-E207 PolarHBondContact O-N 3.09Å; T205-E207 VanDerWaalsContact O-N 3.13Å; T205-E207 WeakPolarHBondContact OG1-CB 3.47Å; T205-E207 PolarHBondContact OG1-N 3.42Å; E207-P209 VanDerWaalsContact OE1-CD 3.22Å; E207-P209 WeakPolarHBondContact OE1-CD 3.41Å; E207-P209 WeakPolarHBondContact OE1-CG 3.37Å; E207-S220 WeakPolarHBondContact O-CB 3.41Å
208K84.7Confident84.5Confident109 Ų10961.8 Ų61.847%0.47432%0.321SS..  trans-134.777.1-177.1-67.2162.4-161.4165.20110N206 H210 S218 F219N206-K208 WeakPolarHBondContact O-CE 3.06Å; N206-K208 WeakPolarHBondContact O-CG 3.36Å; N206-K208 PolarHBondContact O-N 3.21Å; K208-H210 VanDerWaalsContact C-N 3.3Å; K208-H210 PolarHBondContact O-N 3.32Å; K208-S218 WeakPolarHBondContact O-CB 3.41Å; K208-F219 CarbonylContact C-O 3.55Å; K208-F219 WeakPolarHBondContact CA-O 3.44Å
209P81.2Confident84.5Confident64 Ų6461.6 Ų61.642%0.41632%0.319SS..  trans-75.7-17.6-172.233.2-38.5000113.1E207 R211E207-P209 VanDerWaalsContact OE1-CD 3.22Å; E207-P209 WeakPolarHBondContact OE1-CD 3.41Å; E207-P209 WeakPolarHBondContact OE1-CG 3.37Å; P209-R211 PolarHBondContact O-N 3Å
210H82.4Confident84.3Confident52 Ų5260.7 Ų60.724%0.24132%0.317CS..EExtended strand (participates in β ladder)trans-92.485.2-176.3-54.7-65000110.4K208 F219 L222 L225K208-H210 VanDerWaalsContact C-N 3.3Å; K208-H210 PolarHBondContact O-N 3.32Å; H210-F219 HydrophobicContact CB-CB 4.45Å; H210-F219 WeakPolarHBondContact CB-O 3.27Å; H210-F219 PolarHBondContact N-O 3.34Å; H210-F219 VanDerWaalsContact N-O 3.07Å; H210-F219 PolarHBondContact O-N 2.93Å; H210-L222 PolarHBondContact CD2-N 2.95Å; H210-L222 PolarHBondContact NE2-N 3.13Å; H210-L225 HydrophobicContact CB-CB 4.06Å; H210-L225 HydrophobicContact CB-CD2 3.81Å
211R86.1Confident84.2Confident142 Ų14265 Ų6554%0.53633%0.332SS..EExtended strand (participates in β ladder)trans-80.3137.6176.5-166.8174.2179.2112.8-21.3111.8P209 N216P209-R211 PolarHBondContact O-N 3Å; R211-N216 PolarHBondContact NE-OD1 2.99Å; R211-N216 PolarHBondContact NH1-O 2.81Å; R211-N216 VanDerWaalsContact NH2-CG 3.31Å; R211-N216 PolarHBondContact NH2-OD1 3.1Å
212C87.8Confident84.2Confident0 Ų069 Ų690%035%0.353CS..  trans-79124.5170.3-178.50000110.2T214 N216 K217 F219 L225 N229 H232C212-T214 VanDerWaalsContact C-N 3.34Å; C212-T214 PolarHBondContact O-N 2.85Å; C212-N216 WeakPolarHBondContact O-CA 3.39Å; C212-N216 PolarHBondContact O-N 3.12Å; C212-K217 WeakPolarHBondContact CB-O 3.47Å; C212-K217 PolarHBondContact N-O 2.97Å; C212-F219 HydrophobicContact CB-CE2 4.49Å; C212-L225 HydrophobicContact CB-CD1 3.66Å; C212-N229 PolarHBondContact SG-OD1 3.49Å; C212-H232 PolarHBondContact SG-NE2 2.81Å
213P82.4Confident84.1Confident105 Ų10572 Ų7268%0.68237%0.369SS*.THydrogen-bonded Turntrans-66.8-36.5179.326.8-33.7000112C215P213-C215 PolarHBondContact O-N 3.2Å
214T83.7Confident84.2Confident98 Ų9871.1 Ų71.160%0.60136%0.362SS*.THydrogen-bonded Turntrans-70.8-30.1-173.1-42.40000114.1C212 H232C212-T214 VanDerWaalsContact C-N 3.34Å; C212-T214 PolarHBondContact O-N 2.85Å; T214-H232 HydrophobicContact CG2-CB 4.32Å
215C85.8Confident84.5Confident36 Ų3670.1 Ų70.124%0.24336%0.357CS..THydrogen-bonded Turntrans-141.815.4-176.374.90000114.7P213 K217 H228 H232P213-C215 PolarHBondContact O-N 3.2Å; C215-K217 PolarHBondContact O-N 3.02Å; C215-H228 PolarHBondContact SG-NE2 2.86Å; C215-H232 WeakPolarHBondContact CB-CE1 3.41Å; C215-H232 PolarHBondContact SG-CE1 2.91Å; C215-H232 PolarHBondContact SG-NE2 3.48Å
216N84.3Confident84.7Confident92 Ų9275.7 Ų75.749%0.49238%0.381SS..  trans59.43.7176.3-75-64.5000117.1R211 C212R211-N216 PolarHBondContact NE-OD1 2.99Å; R211-N216 PolarHBondContact NH1-O 2.81Å; R211-N216 VanDerWaalsContact NH2-CG 3.31Å; R211-N216 PolarHBondContact NH2-OD1 3.1Å; C212-N216 WeakPolarHBondContact O-CA 3.39Å; C212-N216 PolarHBondContact O-N 3.12Å
217K83.2Confident84.9Confident128 Ų12872.2 Ų72.256%0.55736%0.362SS*.  trans-70.9128.9178-67.5178.9-174.5177.80111.5C212 C215 F219C212-K217 WeakPolarHBondContact CB-O 3.47Å; C212-K217 PolarHBondContact N-O 2.97Å; C215-K217 PolarHBondContact O-N 3.02Å; K217-F219 HydrophobicContact CB-CE2 3.99Å; K217-F219 HydrophobicContact CB-CZ 4.22Å; K217-F219 WeakPolarHBondContact O-CE2 3.22Å
218S86.8Confident85.1Confident43 Ų4372.6 Ų72.630%0.30136%0.363SS..EExtended strand (participates in β ladder)trans-101.8143.6-178.2-62.50000113.7K208K208-S218 WeakPolarHBondContact O-CB 3.41Å
219F84.7Confident85.2Confident46 Ų4669.9 Ų69.920%0.20235%0.354CS..EExtended strand (participates in β ladder)trans-128.1147.2-178-58.8-91.8000112.1K208 H210 C212 K217 R221 N224 L225 H228K208-F219 CarbonylContact C-O 3.55Å; K208-F219 WeakPolarHBondContact CA-O 3.44Å; H210-F219 HydrophobicContact CB-CB 4.45Å; H210-F219 WeakPolarHBondContact CB-O 3.27Å; H210-F219 PolarHBondContact N-O 3.34Å; H210-F219 VanDerWaalsContact N-O 3.07Å; H210-F219 PolarHBondContact O-N 2.93Å; C212-F219 HydrophobicContact CB-CE2 4.49Å; K217-F219 HydrophobicContact CB-CE2 3.99Å; K217-F219 HydrophobicContact CB-CZ 4.22Å; K217-F219 WeakPolarHBondContact O-CE2 3.22Å; F219-R221 VanDerWaalsContact C-N 3.33Å; F219-N224 HydrophobicContact CB-CB 4.17Å; F219-N224 HydrophobicContact CD1-CB 3.9Å; F219-N224 HydrophobicContact CG-CB 4.29Å; F219-L225 HydrophobicContact CB-CB 4.44Å; F219-L225 HydrophobicContact CD2-CB 4.15Å; F219-L225 HydrophobicContact CD2-CD1 3.96Å; F219-L225 HydrophobicContact CE2-CD1 4.2Å; F219-L225 HydrophobicContact CG-CB 4.48Å; F219-H228 HydrophobicContact CE1-CB 4.09Å; F219-H228 HydrophobicContact CE2-CB 3.89Å; F219-H228 AromaticContact CE2-CD2 3.3Å; F219-H228 WeakPolarHBondContact CE2-CD2 3.38Å; F219-H228 AromaticContact CE2-CG 3.66Å; F219-H228 HydrophobicContact CZ-CB 3.53Å; F219-H228 AromaticContact CZ-CD2 3.45Å; F219-H228 VanDerWaalsContact CZ-CD2 3.45Å; F219-H228 WeakPolarHBondContact CZ-CD2 3.38Å; F219-H228 AromaticContact CZ-CG 3.33Å
220S83.9Confident85.5Confident30 Ų3069.4 Ų69.421%0.2134%0.344CS..SBendtrans-80.6-8.9178.154.40000114.5R202 E207R202-S220 WeakPolarHBondContact CD-O 3.4Å; R202-S220 PolarHBondContact NH1-O 3.24Å; E207-S220 WeakPolarHBondContact O-CB 3.41Å
221R84.8Confident85.7Confident111 Ų11170.5 Ų70.542%0.41936%0.357SS..SBendtrans-137.6138179.3-59.1-178.5-174.1-179.9-0.3111.5I199 F219 E223 N224 L225I199-R221 HydrophobicContact CG2-CG 4Å; F219-R221 VanDerWaalsContact C-N 3.33Å; R221-E223 VanDerWaalsContact C-N 3.31Å; R221-E223 PolarHBondContact O-N 3.23Å; R221-N224 HydrophobicContact CB-CB 4.43Å; R221-N224 WeakPolarHBondContact O-CB 3.18Å; R221-N224 PolarHBondContact O-N 3.38Å; R221-L225 PolarHBondContact O-N 3.43Å
222L85.8Confident85.7Confident87 Ų8767.9 Ų67.946%0.45535%0.351SS..Hα-helixtrans-61.3-36.1177.9-177.463.1000113H210 N224 L225 K226H210-L222 PolarHBondContact CD2-N 2.95Å; H210-L222 PolarHBondContact NE2-N 3.13Å; L222-N224 VanDerWaalsContact C-N 3.35Å; L222-N224 PolarHBondContact O-N 2.87Å; L222-L225 HydrophobicContact CD1-CD2 4.49Å; L222-L225 PolarHBondContact O-N 3.37Å; L222-K226 PolarHBondContact O-N 2.84Å
223E85.3Confident85.5Confident117 Ų11772.1 Ų72.155%0.54738%0.377SS..Hα-helixtrans-60.1-43.9175.7-174.1-176.8-16500111.8R221 L225 K226 I227R221-E223 VanDerWaalsContact C-N 3.31Å; R221-E223 PolarHBondContact O-N 3.23Å; E223-L225 VanDerWaalsContact C-N 3.31Å; E223-L225 PolarHBondContact O-N 2.81Å; E223-K226 PolarHBondContact O-N 2.97Å; E223-I227 HydrophobicContact CG-CD1 3.96Å; E223-I227 WeakPolarHBondContact O-CG1 3.44Å; E223-I227 PolarHBondContact O-N 3.31Å
224N86.9Confident85.6Confident60 Ų6069.2 Ų69.232%0.32137%0.366SS..Hα-helixtrans-63-38.7176.6-655.8000111.3F219 R221 L222 H228F219-N224 HydrophobicContact CB-CB 4.17Å; F219-N224 HydrophobicContact CD1-CB 3.9Å; F219-N224 HydrophobicContact CG-CB 4.29Å; R221-N224 HydrophobicContact CB-CB 4.43Å; R221-N224 WeakPolarHBondContact O-CB 3.18Å; R221-N224 PolarHBondContact O-N 3.38Å; L222-N224 VanDerWaalsContact C-N 3.35Å; L222-N224 PolarHBondContact O-N 2.87Å; N224-H228 VanDerWaalsContact O-CB 3.28Å; N224-H228 WeakPolarHBondContact O-CB 3.35Å; N224-H228 PolarHBondContact O-N 3.05Å
225L88.1Confident85.7Confident17 Ų1769.1 Ų69.19%0.08936%0.359CS..Hα-helixtrans-64.6-44173.2175.461000111.5H210 C212 F219 R221 L222 E223 I227 H228 N229H210-L225 HydrophobicContact CB-CB 4.06Å; H210-L225 HydrophobicContact CB-CD2 3.81Å; C212-L225 HydrophobicContact CB-CD1 3.66Å; F219-L225 HydrophobicContact CB-CB 4.44Å; F219-L225 HydrophobicContact CD2-CB 4.15Å; F219-L225 HydrophobicContact CD2-CD1 3.96Å; F219-L225 HydrophobicContact CE2-CD1 4.2Å; F219-L225 HydrophobicContact CG-CB 4.48Å; R221-L225 PolarHBondContact O-N 3.43Å; L222-L225 HydrophobicContact CD1-CD2 4.49Å; L222-L225 PolarHBondContact O-N 3.37Å; E223-L225 VanDerWaalsContact C-N 3.31Å; E223-L225 PolarHBondContact O-N 2.81Å; L225-I227 PolarHBondContact O-N 3.14Å; L225-H228 CarbonylContact O-C 3.28Å; L225-H228 PolarHBondContact O-N 3.32Å; L225-N229 WeakPolarHBondContact CD1-OD1 3.29Å; L225-N229 PolarHBondContact O-N 3.29Å; L225-N229 PolarHBondContact O-OD1 2.96Å
226K86.1Confident85.8Confident131 Ų13172.6 Ų72.657%0.5737%0.37SS*.Hα-helixtrans-60.5-45.2175.9-72.1-175.1177.4-172.30111.8L222 E223 H228 N229 R230L222-K226 PolarHBondContact O-N 2.84Å; E223-K226 PolarHBondContact O-N 2.97Å; K226-H228 VanDerWaalsContact C-N 3.3Å; K226-H228 PolarHBondContact O-N 3.46Å; K226-N229 PolarHBondContact O-N 3.15Å; K226-R230 PolarHBondContact O-N 3.22Å
227I86.6Confident85.9Confident32 Ų3271 Ų7116%0.16437%0.365CS..Hα-helixtrans-63.4-36.4175.3-68.2165.1000111.3E223 L225 R230 N251E223-I227 HydrophobicContact CG-CD1 3.96Å; E223-I227 WeakPolarHBondContact O-CG1 3.44Å; E223-I227 PolarHBondContact O-N 3.31Å; L225-I227 PolarHBondContact O-N 3.14Å; I227-R230 WeakPolarHBondContact O-CB 3.42Å; I227-N251 HydrophobicContact CD1-CB 4.41Å; I227-N251 HydrophobicContact CG2-CB 3.89Å
228H87.4Confident86Confident25 Ų2568.7 Ų68.712%0.11635%0.353CS..Hα-helixtrans-71.6-39.3175.9172.754.2000112.9C215 F219 N224 L225 K226 R230 S231 H232C215-H228 PolarHBondContact SG-NE2 2.86Å; F219-H228 HydrophobicContact CE1-CB 4.09Å; F219-H228 HydrophobicContact CE2-CB 3.89Å; F219-H228 AromaticContact CE2-CD2 3.3Å; F219-H228 WeakPolarHBondContact CE2-CD2 3.38Å; F219-H228 AromaticContact CE2-CG 3.66Å; F219-H228 HydrophobicContact CZ-CB 3.53Å; F219-H228 AromaticContact CZ-CD2 3.45Å; F219-H228 VanDerWaalsContact CZ-CD2 3.45Å; F219-H228 WeakPolarHBondContact CZ-CD2 3.38Å; F219-H228 AromaticContact CZ-CG 3.33Å; N224-H228 VanDerWaalsContact O-CB 3.28Å; N224-H228 WeakPolarHBondContact O-CB 3.35Å; N224-H228 PolarHBondContact O-N 3.05Å; L225-H228 CarbonylContact O-C 3.28Å; L225-H228 PolarHBondContact O-N 3.32Å; K226-H228 VanDerWaalsContact C-N 3.3Å; K226-H228 PolarHBondContact O-N 3.46Å; H228-R230 PolarHBondContact O-N 2.77Å; H228-S231 PolarHBondContact ND1-OG 2.82Å; H228-S231 VanDerWaalsContact ND1-OG 3.14Å; H228-S231 WeakPolarHBondContact O-CA 3.48Å; H228-S231 WeakPolarHBondContact O-CB 3.25Å; H228-S231 PolarHBondContact O-N 3.33Å; H228-S231 PolarHBondContact O-OG 2.77Å; H228-H232 AromaticContact CD2-NE2 3.16Å; H228-H232 PolarHBondContact CD2-NE2 2.99Å; H228-H232 AromaticContact CE1-CE1 3.94Å; H228-H232 AromaticContact CE1-NE2 2.68Å; H228-H232 PolarHBondContact CE1-NE2 3.18Å; H228-H232 AromaticContact CG-NE2 3.98Å; H228-H232 AromaticContact ND1-NE2 3.74Å; H228-H232 AromaticContact NE2-CD2 3.94Å; H228-H232 AromaticContact NE2-NE2 2.17Å; H228-H232 PolarHBondContact NE2-NE2 2.96Å
229N86.4Confident86.1Confident52 Ų5271.1 Ų71.128%0.27836%0.361SS..Hα-helixtrans-60.5-32.1177.3-73.21000111.9C212 L225 K226 S231 H232 T233C212-N229 PolarHBondContact SG-OD1 3.49Å; L225-N229 WeakPolarHBondContact CD1-OD1 3.29Å; L225-N229 PolarHBondContact O-N 3.29Å; L225-N229 PolarHBondContact O-OD1 2.96Å; K226-N229 PolarHBondContact O-N 3.15Å; N229-S231 PolarHBondContact O-N 3.44Å; N229-H232 WeakPolarHBondContact O-CB 3.16Å; N229-H232 PolarHBondContact O-N 3.41Å; N229-T233 PolarHBondContact O-N 3.29Å; N229-T233 VanDerWaalsContact O-N 3.14Å
230R87.9Confident86.3Confident54 Ų5469.3 Ų69.320%0.20436%0.355CS..Hα-helixtrans-62.3-16.1169.9-65.5-177.3175.8148.11.2115K226 I227 H228 T233 G234 E235 Y238 S250K226-R230 PolarHBondContact O-N 3.22Å; I227-R230 WeakPolarHBondContact O-CB 3.42Å; H228-R230 PolarHBondContact O-N 2.77Å; R230-T233 WeakPolarHBondContact CA-OG1 3.28Å; R230-G234 CarbonylContact O-C 3.45Å; R230-G234 WeakPolarHBondContact O-CA 3.4Å; R230-G234 PolarHBondContact O-N 3.09Å; R230-E235 HydrophobicContact CB-CB 3.91Å; R230-E235 HydrophobicContact CG-CB 3.74Å; R230-E235 IonicContact NE-OE2 2.73Å; R230-E235 PolarHBondContact O-N 3.02Å; R230-Y238 VanDerWaalsContact NH1-CE2 3.35Å; R230-Y238 PolarHBondContact NH1-OH 2.85Å; R230-S250 WeakPolarHBondContact CD-O 3.45Å; R230-S250 PolarHBondContact NH1-O 3.16Å
231S85.8Confident86.4Confident74 Ų7471.9 Ų71.952%0.51737%0.371SS..Hα-helixtrans-79.8-18.2170.469.60000113.5H228 N229H228-S231 PolarHBondContact ND1-OG 2.82Å; H228-S231 VanDerWaalsContact ND1-OG 3.14Å; H228-S231 WeakPolarHBondContact O-CA 3.48Å; H228-S231 WeakPolarHBondContact O-CB 3.25Å; H228-S231 PolarHBondContact O-N 3.33Å; H228-S231 PolarHBondContact O-OG 2.77Å; N229-S231 PolarHBondContact O-N 3.44Å
232H85.3Confident86.3Confident88 Ų8871.7 Ų71.741%0.40737%0.371SS..Hα-helixtrans-88.6-41170.4-59.4-60.1000111.9C212 T214 C215 H228 N229 G234C212-H232 PolarHBondContact SG-NE2 2.81Å; T214-H232 HydrophobicContact CG2-CB 4.32Å; C215-H232 WeakPolarHBondContact CB-CE1 3.41Å; C215-H232 PolarHBondContact SG-CE1 2.91Å; C215-H232 PolarHBondContact SG-NE2 3.48Å; H228-H232 AromaticContact CD2-NE2 3.16Å; H228-H232 PolarHBondContact CD2-NE2 2.99Å; H228-H232 AromaticContact CE1-CE1 3.94Å; H228-H232 AromaticContact CE1-NE2 2.68Å; H228-H232 PolarHBondContact CE1-NE2 3.18Å; H228-H232 AromaticContact CG-NE2 3.98Å; H228-H232 AromaticContact ND1-NE2 3.74Å; H228-H232 AromaticContact NE2-CD2 3.94Å; H228-H232 AromaticContact NE2-NE2 2.17Å; H228-H232 PolarHBondContact NE2-NE2 2.96Å; N229-H232 WeakPolarHBondContact O-CB 3.16Å; N229-H232 PolarHBondContact O-N 3.41Å; H232-G234 VanDerWaalsContact C-N 3.33Å
233T85.1Confident86Confident88 Ų8875.7 Ų75.754%0.5439%0.387SS..Hα-helixtrans-82.1-8.4177.661.90000114N229 R230 E235N229-T233 PolarHBondContact O-N 3.29Å; N229-T233 VanDerWaalsContact O-N 3.14Å; R230-T233 WeakPolarHBondContact CA-OG1 3.28Å; T233-E235 WeakPolarHBondContact CB-OE1 3.35Å; T233-E235 PolarHBondContact O-N 3.28Å; T233-E235 VanDerWaalsContact OG1-CD 3.28Å; T233-E235 WeakPolarHBondContact OG1-CG 3.41Å; T233-E235 PolarHBondContact OG1-OE1 3.22Å
234G84.8Confident85.8Confident44 Ų4473.9 Ų73.945%0.45440%0.399SS..  trans72.20.5-176.600000115.1R230 H232 K236R230-G234 CarbonylContact O-C 3.45Å; R230-G234 WeakPolarHBondContact O-CA 3.4Å; R230-G234 PolarHBondContact O-N 3.09Å; H232-G234 VanDerWaalsContact C-N 3.33Å; G234-K236 PolarHBondContact O-N 3.23Å
235E85.8Confident85.6Confident97 Ų9771.4 Ų71.445%0.45339%0.387SS..  trans-55120-177.1-84.8169.5-112.900113.6R230 T233 P237 S250R230-E235 HydrophobicContact CB-CB 3.91Å; R230-E235 HydrophobicContact CG-CB 3.74Å; R230-E235 IonicContact NE-OE2 2.73Å; R230-E235 PolarHBondContact O-N 3.02Å; T233-E235 WeakPolarHBondContact CB-OE1 3.35Å; T233-E235 PolarHBondContact O-N 3.28Å; T233-E235 VanDerWaalsContact OG1-CD 3.28Å; T233-E235 WeakPolarHBondContact OG1-CG 3.41Å; T233-E235 PolarHBondContact OG1-OE1 3.22Å; E235-P237 WeakPolarHBondContact O-CD 3.4Å; E235-S250 WeakPolarHBondContact O-CB 3.49Å
236K87Confident85.4Confident108 Ų10877.8 Ų77.847%0.4742%0.421SS..  trans-124.674.8175.6-68.4163.6-174.6171.60110.5G234 Y238 R248 Y249G234-K236 PolarHBondContact O-N 3.23Å; K236-Y238 VanDerWaalsContact C-N 3.35Å; K236-R248 HydrophobicContact CB-CB 3.63Å; K236-R248 HydrophobicContact CD-CB 4.43Å; K236-R248 PolarHBondContact O-NE 2.82Å; K236-R248 PolarHBondContact O-NH2 3.07Å; K236-Y249 CarbonylContact C-O 3.37Å; K236-Y249 VanDerWaalsContact C-O 3.28Å; K236-Y249 VanDerWaalsContact CA-O 3.27Å; K236-Y249 WeakPolarHBondContact CA-O 3.44Å
237P85.9Confident85.5Confident60 Ų6077 Ų7739%0.3942%0.417SS..  trans-73.8-21.4-175.429-34.6000113.7E235 I239E235-P237 WeakPolarHBondContact O-CD 3.4Å; P237-I239 PolarHBondContact O-N 3.25Å
238Y86.1Confident85.6Confident79 Ų7982.1 Ų82.131%0.3144%0.435SS..EExtended strand (participates in β ladder)trans-92101.6-179-50.4-75.4000110.7R230 K236 R248 Y249 S250 S252R230-Y238 VanDerWaalsContact NH1-CE2 3.35Å; R230-Y238 PolarHBondContact NH1-OH 2.85Å; K236-Y238 VanDerWaalsContact C-N 3.35Å; Y238-R248 CarbonylContact O-C 3.59Å; Y238-R248 WeakPolarHBondContact O-CA 3.1Å; Y238-Y249 WeakPolarHBondContact CD2-O 3.28Å; Y238-Y249 PolarHBondContact N-O 2.89Å; Y238-Y249 PolarHBondContact O-N 2.89Å; Y238-S250 WeakPolarHBondContact CE2-O 3.35Å; Y238-S252 VanDerWaalsContact CE2-N 3.29Å
239I87.8Confident85.6Confident93 Ų9383.6 Ų83.648%0.47744%0.44SS..EExtended strand (participates in β ladder)trans-82.2148.8173.6-43.7-172.8000109.3P237 R248 R255P237-I239 PolarHBondContact O-N 3.25Å; I239-R248 HydrophobicContact CG1-CG 4.15Å; I239-R248 HydrophobicContact CG2-CG 4.3Å; I239-R255 VanDerWaalsContact O-CD 3.29Å; I239-R255 WeakPolarHBondContact O-CD 3.1Å; I239-R255 WeakPolarHBondContact O-CG 3.33Å
240C89.9Confident85.6Confident9 Ų982.9 Ų82.96%0.06144%0.439CS..  trans-66.7128.7169.5-165.20000110.2Y242 C245 K247 T259 H262C240-Y242 PolarHBondContact O-N 2.82Å; C240-C245 HydrophobicContact CB-CB 4.25Å; C240-C245 WeakPolarHBondContact CB-O 3.2Å; C240-K247 PolarHBondContact N-O 3.38Å; C240-T259 VanDerWaalsContact SG-CG2 3.57Å; C240-H262 VanDerWaalsContact SG-CD2 3.59Å
241P85.4Confident85.6Confident84 Ų8481.4 Ų81.455%0.54544%0.435SS..  trans-87.233.5178.540.1-41.2000112.1T259P241-T259 HydrophobicContact CG-CG2 4.03Å
242Y82.8Confident85.7Confident107 Ų10780.2 Ų80.242%0.4243%0.427SS..SBendtrans-116.8125.5179.1-172.7-85.6000108.4C240 C245 H262C240-Y242 PolarHBondContact O-N 2.82Å; Y242-C245 HydrophobicContact CD1-CB 4.38Å; Y242-C245 WeakPolarHBondContact O-CA 3.32Å; Y242-C245 VanDerWaalsContact O-CB 3.29Å; Y242-C245 WeakPolarHBondContact O-CB 3.45Å; Y242-C245 PolarHBondContact O-N 3.48Å; Y242-H262 HydrophobicContact CD1-CB 4.21Å; Y242-H262 AromaticContact CD1-CE1 3.77Å; Y242-H262 AromaticContact CD1-CG 3.78Å; Y242-H262 AromaticContact CD1-ND1 3.72Å; Y242-H262 HydrophobicContact CD2-CB 3.64Å; Y242-H262 AromaticContact CD2-CG 3.96Å; Y242-H262 HydrophobicContact CE1-CB 4.41Å; Y242-H262 AromaticContact CE1-CE1 3.82Å; Y242-H262 HydrophobicContact CE2-CB 3.85Å; Y242-H262 HydrophobicContact CG-CB 3.83Å; Y242-H262 AromaticContact CG-CD2 3.75Å; Y242-H262 AromaticContact CG-CG 3.59Å
243E79.8Confident85.7Confident171 Ų17178.9 Ų78.980%0.79943%0.428SS*.THydrogen-bonded Turntrans-58138.8-173.4-62-50.5137.100112.3C245E243-C245 PolarHBondContact O-N 2.91Å
244G80.4Confident85.8Confident78 Ų7877.4 Ų77.480%0.80442%0.416SS*.THydrogen-bonded Turntrans74-4.1-170.700000115.5
245C84.1Confident86.1Confident9 Ų978.3 Ų78.36%0.06141%0.406CS..  trans-103.182.7179.9-158.30000114.6C240 Y242 E243 K247 H258 H262C240-C245 HydrophobicContact CB-CB 4.25Å; C240-C245 WeakPolarHBondContact CB-O 3.2Å; Y242-C245 HydrophobicContact CD1-CB 4.38Å; Y242-C245 WeakPolarHBondContact O-CA 3.32Å; Y242-C245 VanDerWaalsContact O-CB 3.29Å; Y242-C245 WeakPolarHBondContact O-CB 3.45Å; Y242-C245 PolarHBondContact O-N 3.48Å; E243-C245 PolarHBondContact O-N 2.91Å; C245-K247 PolarHBondContact O-N 2.84Å; C245-H258 PolarHBondContact SG-NE2 2.68Å; C245-H258 VanDerWaalsContact SG-NE2 3.38Å; C245-H262 WeakPolarHBondContact CB-NE2 3.37Å; C245-H262 PolarHBondContact SG-NE2 3.21Å
246N84.3Confident86.1Confident150 Ų15079 Ų7980%0.80241%0.408SS*.  trans-71.425.9178.7-65-28.2000115.3
247K86.6Confident85.9Confident114 Ų11479.3 Ų79.350%0.49641%0.409SS..  trans-82127.8-178.9-67.4-178-169.5-66.40111.2C240 C245 Y249C240-K247 PolarHBondContact N-O 3.38Å; C245-K247 PolarHBondContact O-N 2.84Å; K247-Y249 HydrophobicContact CB-CE2 3.84Å
248R89.1Confident85.9Confident141 Ų14177.3 Ų77.353%0.53240%0.395SS..EExtended strand (participates in β ladder)trans-117.4143.5-175.6-56.3179.456.3179.90.9112.2K236 Y238 I239K236-R248 HydrophobicContact CB-CB 3.63Å; K236-R248 HydrophobicContact CD-CB 4.43Å; K236-R248 PolarHBondContact O-NE 2.82Å; K236-R248 PolarHBondContact O-NH2 3.07Å; Y238-R248 CarbonylContact O-C 3.59Å; Y238-R248 WeakPolarHBondContact O-CA 3.1Å; I239-R248 HydrophobicContact CG1-CG 4.15Å; I239-R248 HydrophobicContact CG2-CG 4.3Å
249Y87.6Confident85.7Confident56 Ų5673.9 Ų73.922%0.2238%0.382CS..EExtended strand (participates in β ladder)trans-131.4148.5-173.5-61.3-93.8000112.2K236 Y238 K247 N251 D254 R255 H258K236-Y249 CarbonylContact C-O 3.37Å; K236-Y249 VanDerWaalsContact C-O 3.28Å; K236-Y249 VanDerWaalsContact CA-O 3.27Å; K236-Y249 WeakPolarHBondContact CA-O 3.44Å; Y238-Y249 WeakPolarHBondContact CD2-O 3.28Å; Y238-Y249 PolarHBondContact N-O 2.89Å; Y238-Y249 PolarHBondContact O-N 2.89Å; K247-Y249 HydrophobicContact CB-CE2 3.84Å; Y249-N251 VanDerWaalsContact C-N 3.32Å; Y249-D254 HydrophobicContact CD1-CB 4.07Å; Y249-R255 HydrophobicContact CD2-CB 3.86Å; Y249-R255 HydrophobicContact CD2-CG 4.03Å; Y249-R255 HydrophobicContact CG-CB 4.04Å; Y249-H258 HydrophobicContact CE1-CB 4.18Å; Y249-H258 HydrophobicContact CE2-CB 4.05Å; Y249-H258 AromaticContact CE2-CD2 3.39Å; Y249-H258 WeakPolarHBondContact CE2-CD2 3.43Å; Y249-H258 AromaticContact CE2-CG 3.95Å; Y249-H258 AromaticContact CZ-CD2 3.54Å; Y249-H258 AromaticContact CZ-CG 3.66Å; Y249-H258 WeakPolarHBondContact OH-CB 3.3Å; Y249-H258 PolarHBondContact OH-CD2 3.21Å
250S87.1Confident85.4Confident37 Ų3773 Ų7326%0.25937%0.372SS..SBendtrans-78.6-14.7174.152.60000113.7R230 E235 Y238R230-S250 WeakPolarHBondContact CD-O 3.45Å; R230-S250 PolarHBondContact NH1-O 3.16Å; E235-S250 WeakPolarHBondContact O-CB 3.49Å; Y238-S250 WeakPolarHBondContact CE2-O 3.35Å
251N88.1Confident85Confident22 Ų2276.1 Ų76.112%0.11839%0.391CS..SBendtrans-132.8135.7-175.6-177.45.5000111.6I227 Y249 S253 D254 R255I227-N251 HydrophobicContact CD1-CB 4.41Å; I227-N251 HydrophobicContact CG2-CB 3.89Å; Y249-N251 VanDerWaalsContact C-N 3.32Å; N251-S253 VanDerWaalsContact C-N 3.32Å; N251-S253 PolarHBondContact O-N 3.16Å; N251-S253 PolarHBondContact OD1-N 2.77Å; N251-D254 HydrophobicContact CB-CB 4.31Å; N251-D254 WeakPolarHBondContact CB-OD2 3.34Å; N251-D254 PolarHBondContact ND2-OD2 2.59Å; N251-D254 PolarHBondContact O-N 3.24Å; N251-R255 PolarHBondContact O-N 2.67Å; N251-R255 VanDerWaalsContact O-N 3.16Å
252S86.3Confident84.6Confident50 Ų5075 Ų7535%0.3538%0.379SS..Hα-helixtrans-63.7-36.6176.255.20000112.1Y238 D254 R255 F256Y238-S252 VanDerWaalsContact CE2-N 3.29Å; S252-D254 VanDerWaalsContact C-N 3.29Å; S252-D254 PolarHBondContact O-N 2.92Å; S252-R255 PolarHBondContact O-N 3.42Å; S252-F256 WeakPolarHBondContact O-CB 3.14Å; S252-F256 PolarHBondContact O-N 3.22Å
253S86.9Confident84.1Confident60 Ų6077 Ų7742%0.4239%0.386SS..Hα-helixtrans-64.1-34.7179-63.70000112.2N251 F256 K257N251-S253 VanDerWaalsContact C-N 3.32Å; N251-S253 PolarHBondContact O-N 3.16Å; N251-S253 PolarHBondContact OD1-N 2.77Å; S253-F256 PolarHBondContact O-N 3.13Å; S253-K257 VanDerWaalsContact O-CG 3.3Å; S253-K257 WeakPolarHBondContact O-CG 3.2Å; S253-K257 PolarHBondContact O-N 3.21Å
254D86.8Confident83.4Confident57 Ų5775.4 Ų75.431%0.30539%0.388SS..Hα-helixtrans-82.2-34.6-179.4-62-51.9000111.5Y249 N251 S252 F256 K257 H258Y249-D254 HydrophobicContact CD1-CB 4.07Å; N251-D254 HydrophobicContact CB-CB 4.31Å; N251-D254 WeakPolarHBondContact CB-OD2 3.34Å; N251-D254 PolarHBondContact ND2-OD2 2.59Å; N251-D254 PolarHBondContact O-N 3.24Å; S252-D254 VanDerWaalsContact C-N 3.29Å; S252-D254 PolarHBondContact O-N 2.92Å; D254-F256 VanDerWaalsContact C-N 3.26Å; D254-F256 PolarHBondContact O-N 3.37Å; D254-K257 PolarHBondContact O-N 3.48Å; D254-K257 WeakPolarHBondContact OD1-CD 3.33Å; D254-K257 WeakPolarHBondContact OD1-CE 3.49Å; D254-K257 IonicContact OD1-NZ 3.24Å; D254-K257 PolarHBondContact OD1-NZ 3.38Å; D254-H258 WeakPolarHBondContact O-CB 3.3Å; D254-H258 PolarHBondContact O-N 3.42Å
255R89.9Confident82.8Confident63 Ų6378 Ų7824%0.23838%0.383CS..Hα-helixtrans-59.7-35.9164.5-170-109.882175.40112.2I239 Y249 N251 S252 T259I239-R255 VanDerWaalsContact O-CD 3.29Å; I239-R255 WeakPolarHBondContact O-CD 3.1Å; I239-R255 WeakPolarHBondContact O-CG 3.33Å; Y249-R255 HydrophobicContact CD2-CB 3.86Å; Y249-R255 HydrophobicContact CD2-CG 4.03Å; Y249-R255 HydrophobicContact CG-CB 4.04Å; N251-R255 PolarHBondContact O-N 2.67Å; N251-R255 VanDerWaalsContact O-N 3.16Å; S252-R255 PolarHBondContact O-N 3.42Å; R255-T259 VanDerWaalsContact NH2-CG2 3.31Å; R255-T259 PolarHBondContact NH2-OG1 3.15Å; R255-T259 PolarHBondContact O-N 3.14Å; R255-T259 PolarHBondContact O-OG1 2.17Å
256F86Confident82.3Confident112 Ų11282.6 Ų82.649%0.49140%0.403SS..Hα-helixtrans-72.7-43.5177.6-177-109.6000112.5S252 S253 D254 H258 T259S252-F256 WeakPolarHBondContact O-CB 3.14Å; S252-F256 PolarHBondContact O-N 3.22Å; S253-F256 PolarHBondContact O-N 3.13Å; D254-F256 VanDerWaalsContact C-N 3.26Å; D254-F256 PolarHBondContact O-N 3.37Å; F256-H258 VanDerWaalsContact C-N 3.29Å; F256-H258 PolarHBondContact O-N 3.27Å; F256-T259 WeakPolarHBondContact CA-OG1 3.32Å; F256-T259 PolarHBondContact O-N 2.89Å; F256-T259 PolarHBondContact O-OG1 3.16Å
257K83.7Confident81.9Confident113 Ų11378.7 Ų78.749%0.49139%0.385SS..Hα-helixtrans-56.7-44.7170.3-69.4165.8-158.2166.20111S253 D254 R260S253-K257 VanDerWaalsContact O-CG 3.3Å; S253-K257 WeakPolarHBondContact O-CG 3.2Å; S253-K257 PolarHBondContact O-N 3.21Å; D254-K257 PolarHBondContact O-N 3.48Å; D254-K257 WeakPolarHBondContact OD1-CD 3.33Å; D254-K257 WeakPolarHBondContact OD1-CE 3.49Å; D254-K257 IonicContact OD1-NZ 3.24Å; D254-K257 PolarHBondContact OD1-NZ 3.38Å; K257-R260 WeakPolarHBondContact O-CB 3.49Å; K257-R260 PolarHBondContact O-N 3.11Å
258H85.6Confident81.5Confident19 Ų1974.8 Ų74.89%0.08837%0.368CS..Hα-helixtrans-62.9-42.1177.2170.737.8000112.7C245 Y249 D254 F256 R260 T261 H262C245-H258 PolarHBondContact SG-NE2 2.68Å; C245-H258 VanDerWaalsContact SG-NE2 3.38Å; Y249-H258 HydrophobicContact CE1-CB 4.18Å; Y249-H258 HydrophobicContact CE2-CB 4.05Å; Y249-H258 AromaticContact CE2-CD2 3.39Å; Y249-H258 WeakPolarHBondContact CE2-CD2 3.43Å; Y249-H258 AromaticContact CE2-CG 3.95Å; Y249-H258 AromaticContact CZ-CD2 3.54Å; Y249-H258 AromaticContact CZ-CG 3.66Å; Y249-H258 WeakPolarHBondContact OH-CB 3.3Å; Y249-H258 PolarHBondContact OH-CD2 3.21Å; D254-H258 WeakPolarHBondContact O-CB 3.3Å; D254-H258 PolarHBondContact O-N 3.42Å; F256-H258 VanDerWaalsContact C-N 3.29Å; F256-H258 PolarHBondContact O-N 3.27Å; H258-R260 PolarHBondContact O-N 2.71Å; H258-T261 PolarHBondContact CE1-OG1 3.21Å; H258-T261 PolarHBondContact ND1-OG1 3.45Å; H258-T261 PolarHBondContact O-N 2.92Å; H258-T261 PolarHBondContact O-OG1 3.49Å; H258-H262 AromaticContact CE1-NE2 3.76Å
259T82.5Confident81.2Confident6 Ų674.3 Ų74.34%0.03737%0.367CS..Hα-helixtrans-56.8-22.6178.331.60000113.8C240 P241 R255 F256 T261 H262 Y263C240-T259 VanDerWaalsContact SG-CG2 3.57Å; P241-T259 HydrophobicContact CG-CG2 4.03Å; R255-T259 VanDerWaalsContact NH2-CG2 3.31Å; R255-T259 PolarHBondContact NH2-OG1 3.15Å; R255-T259 PolarHBondContact O-N 3.14Å; R255-T259 PolarHBondContact O-OG1 2.17Å; F256-T259 WeakPolarHBondContact CA-OG1 3.32Å; F256-T259 PolarHBondContact O-N 2.89Å; F256-T259 PolarHBondContact O-OG1 3.16Å; T259-T261 PolarHBondContact O-N 2.91Å; T259-H262 PolarHBondContact O-N 2.94Å; T259-Y263 WeakPolarHBondContact O-CD2 3.33Å; T259-Y263 WeakPolarHBondContact O-CE2 3.45Å
260R81.8Confident81.1Confident75 Ų7572.1 Ų72.128%0.28336%0.359SS..THydrogen-bonded Turntrans-69.4-3.6171.7-56.2176.6173.5-158-10114.9K257 H258 Y268 T280K257-R260 WeakPolarHBondContact O-CB 3.49Å; K257-R260 PolarHBondContact O-N 3.11Å; H258-R260 PolarHBondContact O-N 2.71Å; R260-Y268 PolarHBondContact NH1-OH 3Å; R260-T280 WeakPolarHBondContact O-CG2 3.39Å
261T80.3Confident80.7Confident75 Ų7578.6 Ų78.646%0.4638%0.383SS..THydrogen-bonded Turntrans-93.7-8.3172.467.80000113.3H258 T259H258-T261 PolarHBondContact CE1-OG1 3.21Å; H258-T261 PolarHBondContact ND1-OG1 3.45Å; H258-T261 PolarHBondContact O-N 2.92Å; H258-T261 PolarHBondContact O-OG1 3.49Å; T259-T261 PolarHBondContact O-N 2.91Å
262H77.7Confident80.3Confident61 Ų6181.1 Ų81.128%0.28240%0.395SS..THydrogen-bonded Turntrans-91-30.8174.9-63.1-54.9000112.5C240 Y242 C245 H258 T259C240-H262 VanDerWaalsContact SG-CD2 3.59Å; Y242-H262 HydrophobicContact CD1-CB 4.21Å; Y242-H262 AromaticContact CD1-CE1 3.77Å; Y242-H262 AromaticContact CD1-CG 3.78Å; Y242-H262 AromaticContact CD1-ND1 3.72Å; Y242-H262 HydrophobicContact CD2-CB 3.64Å; Y242-H262 AromaticContact CD2-CG 3.96Å; Y242-H262 HydrophobicContact CE1-CB 4.41Å; Y242-H262 AromaticContact CE1-CE1 3.82Å; Y242-H262 HydrophobicContact CE2-CB 3.85Å; Y242-H262 HydrophobicContact CG-CB 3.83Å; Y242-H262 AromaticContact CG-CD2 3.75Å; Y242-H262 AromaticContact CG-CG 3.59Å; C245-H262 WeakPolarHBondContact CB-NE2 3.37Å; C245-H262 PolarHBondContact SG-NE2 3.21Å; H258-H262 AromaticContact CE1-NE2 3.76Å; T259-H262 PolarHBondContact O-N 2.94Å
263Y72.8Confident79.7Confident148 Ų14885.7 Ų85.758%0.5842%0.42SS*.SBendtrans-77.6136167-49.2-72.6000109.2T259 D265T259-Y263 WeakPolarHBondContact O-CD2 3.33Å; T259-Y263 WeakPolarHBondContact O-CE2 3.45Å; Y263-D265 PolarHBondContact O-N 3.22Å
264V63.6Low79Confident138 Ų13886.6 Ų86.684%0.83644%0.439SS*.SBendtrans-68.1-21.8179.21790000111.5K266V264-K266 PolarHBondContact O-N 2.91Å
265D67.4Low78.7Confident131 Ų13184.2 Ų84.270%0.70143%0.427SS*.  trans-60.1118.4178.9-87.6-48.3000113.3Y263 P267Y263-D265 PolarHBondContact O-N 3.22Å; D265-P267 VanDerWaalsContact C-CD 3.43Å; D265-P267 WeakPolarHBondContact O-CD 3.16Å
266K74.4Confident78.1Confident107 Ų10789.1 Ų89.147%0.46546%0.457SS..  trans-110.277.1173.6-70.1167.5-175173.10108.2V264 Y268 R278 Y279 T280V264-K266 PolarHBondContact O-N 2.91Å; K266-Y268 PolarHBondContact O-N 3.42Å; K266-Y268 VanDerWaalsContact O-N 3.13Å; K266-R278 HydrophobicContact CB-CB 3.61Å; K266-R278 HydrophobicContact CD-CB 4.21Å; K266-Y279 CarbonylContact C-O 3.6Å; K266-Y279 VanDerWaalsContact C-O 3.28Å; K266-Y279 WeakPolarHBondContact CA-O 3.38Å; K266-T280 HydrophobicContact CG-CG2 3.81Å
267P76Confident78Confident67 Ų6789.8 Ų89.844%0.43546%0.46SS..  trans-68.9-12.2-169.428-36.8000113.8D265D265-P267 VanDerWaalsContact C-CD 3.43Å; D265-P267 WeakPolarHBondContact O-CD 3.16Å
268Y79.1Confident77.9Confident33 Ų3392.7 Ų92.713%0.12947%0.468CS..EExtended strand (participates in β ladder)trans-101.598.7-179.7-53.8-68.4000110R260 K266 R278 Y279 T280 P282R260-Y268 PolarHBondContact NH1-OH 3Å; K266-Y268 PolarHBondContact O-N 3.42Å; K266-Y268 VanDerWaalsContact O-N 3.13Å; Y268-R278 CarbonylContact O-C 3.28Å; Y268-Y279 PolarHBondContact N-O 3.48Å; Y268-Y279 PolarHBondContact O-N 2.89Å; Y268-T280 WeakPolarHBondContact CE2-O 3.32Å; Y268-P282 HydrophobicContact CD1-CG 4.3Å; Y268-P282 HydrophobicContact CD2-CG 4.36Å; Y268-P282 HydrophobicContact CE1-CG 3.85Å; Y268-P282 HydrophobicContact CE2-CG 3.91Å
269Y81.4Confident77.6Confident131 Ų13194.2 Ų94.251%0.51447%0.473SS..EExtended strand (participates in β ladder)trans-104.9153.9177.860.7-88.1000112.3
270C86.6Confident77.5Confident10 Ų1095.4 Ų95.47%0.06848%0.48CS..  trans-71.9132.6170.1-163.20000110C275 K277 L285C270-C275 HydrophobicContact CB-CB 4.21Å; C270-K277 PolarHBondContact N-O 3.18Å; C270-L285 HydrophobicContact CB-CD1 4.27Å
271K78.2Confident77.5Confident173 Ų17393.5 Ų93.575%0.75248%0.476SS*.  trans-95.73.1175.4-157.7-175.7171.8-175.90112.7
272M78.5Confident77.6Confident74 Ų7492.1 Ų92.137%0.36547%0.468SS..SBendtrans-74.1133.8176.6-173.3165.9-75.800110.2G274 C275 H292 V296M272-G274 PolarHBondContact O-N 3.47Å; M272-C275 PolarHBondContact O-N 3.41Å; M272-H292 HydrophobicContact CE-CB 3.84Å; M272-H292 HydrophobicContact SD-CB 3.62Å; M272-H292 PolarHBondContact SD-CE1 3.33Å; M272-H292 VanDerWaalsContact SD-CG 3.5Å; M272-H292 PolarHBondContact SD-ND1 3.38Å; M272-H292 VanDerWaalsContact SD-ND1 3.38Å; M272-V296 HydrophobicContact CE-CG2 4.24Å; M272-V296 HydrophobicContact SD-CG2 4.27Å
273V74Confident78Confident146 Ų14692.8 Ų92.889%0.88548%0.479SS*.THydrogen-bonded Turntrans-54.7137.1177.7-176.30000109.7C275V273-C275 VanDerWaalsContact C-N 3.27Å; V273-C275 PolarHBondContact O-N 3.45Å
274G73.7Confident78.6Confident79 Ų7987.8 Ų87.881%0.81447%0.466SS*.THydrogen-bonded Turntrans80.2-12.2-175.100000115.8M272M272-G274 PolarHBondContact O-N 3.47Å
275C80.4Confident79.7Confident8 Ų882.1 Ų82.15%0.05443%0.431CS..  trans-108.498.9-178.1-165.10000114.5C270 M272 V273 K277 H288 H292C270-C275 HydrophobicContact CB-CB 4.21Å; M272-C275 PolarHBondContact O-N 3.41Å; V273-C275 VanDerWaalsContact C-N 3.27Å; V273-C275 PolarHBondContact O-N 3.45Å; C275-K277 VanDerWaalsContact C-N 3.28Å; C275-K277 PolarHBondContact O-N 3.45Å; C275-H288 PolarHBondContact SG-CE1 3.03Å; C275-H288 PolarHBondContact SG-NE2 2.75Å; C275-H292 WeakPolarHBondContact CB-NE2 3.48Å
276L77.6Confident80.6Confident166 Ų16683.5 Ų83.587%0.86943%0.427SS*.  trans-83.412.5179.8-58.9176.4000114.8
277K82.1Confident81.2Confident125 Ų12586 Ų8654%0.54344%0.438SS..  trans-72.8130.9-172.2-65.7-176.6-177.1178.70112.2C270 C275 Y279C270-K277 PolarHBondContact N-O 3.18Å; C275-K277 VanDerWaalsContact C-N 3.28Å; C275-K277 PolarHBondContact O-N 3.45Å; K277-Y279 HydrophobicContact CB-CE2 3.83Å
278R81.5Confident81.7Confident174 Ų17484.1 Ų84.166%0.65742%0.423SS*.EExtended strand (participates in β ladder)trans-119.9147-179.9-49.3-167.8-178179.40.4112.3K266 Y268K266-R278 HydrophobicContact CB-CB 3.61Å; K266-R278 HydrophobicContact CD-CB 4.21Å; Y268-R278 CarbonylContact O-C 3.28Å
279Y80.3Confident82Confident51 Ų5186 Ų8620%0.243%0.434CS..EExtended strand (participates in β ladder)trans-134.2149.5-171.5-59.6-89.6000112K266 Y268 K277 S284 L285 H288K266-Y279 CarbonylContact C-O 3.6Å; K266-Y279 VanDerWaalsContact C-O 3.28Å; K266-Y279 WeakPolarHBondContact CA-O 3.38Å; Y268-Y279 PolarHBondContact N-O 3.48Å; Y268-Y279 PolarHBondContact O-N 2.89Å; K277-Y279 HydrophobicContact CB-CE2 3.83Å; Y279-S284 VanDerWaalsContact CD1-CB 3.49Å; Y279-L285 HydrophobicContact CD2-CB 3.95Å; Y279-L285 HydrophobicContact CD2-CD1 3.82Å; Y279-L285 HydrophobicContact CD2-CG 4.49Å; Y279-L285 HydrophobicContact CE2-CD1 4.08Å; Y279-L285 HydrophobicContact CG-CB 4.2Å; Y279-H288 HydrophobicContact CE1-CB 4.44Å; Y279-H288 HydrophobicContact CE2-CB 4.11Å; Y279-H288 AromaticContact CE2-CD2 3.42Å; Y279-H288 VanDerWaalsContact CE2-CD2 3.42Å; Y279-H288 WeakPolarHBondContact CE2-CD2 3.37Å; Y279-H288 AromaticContact CE2-CG 3.93Å; Y279-H288 AromaticContact CZ-CD2 3.69Å; Y279-H288 AromaticContact CZ-CG 3.74Å; Y279-H288 WeakPolarHBondContact OH-CB 3.41Å; Y279-H288 PolarHBondContact OH-CD2 3.22Å; Y279-H288 VanDerWaalsContact OH-CD2 3.29Å
280T80.7Confident82.3Confident31 Ų3187.6 Ų87.619%0.1944%0.444CS..SBendtrans-84-16.9175.153.40000112.9R260 K266 Y268R260-T280 WeakPolarHBondContact O-CG2 3.39Å; K266-T280 HydrophobicContact CG-CG2 3.81Å; Y268-T280 WeakPolarHBondContact CE2-O 3.32Å
281D82.1Confident82.1Confident35 Ų3589.9 Ų89.919%0.18746%0.464CS..SBendtrans-132.8149.5-178.885.9-81.1000113.8S283 S284 L285D281-S283 VanDerWaalsContact C-N 3.31Å; D281-S283 PolarHBondContact O-N 3.18Å; D281-S283 VanDerWaalsContact OD2-CA 3.28Å; D281-S283 WeakPolarHBondContact OD2-CA 3.49Å; D281-S283 WeakPolarHBondContact OD2-CB 3.43Å; D281-S283 PolarHBondContact OD2-N 2.91Å; D281-S284 WeakPolarHBondContact OD1-CB 3.48Å; D281-S284 PolarHBondContact OD1-OG 2.82Å; D281-S284 PolarHBondContact OD2-N 2.59Å; D281-L285 PolarHBondContact O-N 3.17Å
282P81.9Confident82.2Confident46 Ų4684 Ų8430%0.29944%0.439SS..Hα-helixtrans-69-22.7179.9-18.230.3000114.8Y268 R286Y268-P282 HydrophobicContact CD1-CG 4.3Å; Y268-P282 HydrophobicContact CD2-CG 4.36Å; Y268-P282 HydrophobicContact CE1-CG 3.85Å; Y268-P282 HydrophobicContact CE2-CG 3.91Å; P282-R286 WeakPolarHBondContact O-CB 3.38Å; P282-R286 PolarHBondContact O-N 3.29Å
283S85.6Confident81.8Confident75 Ų7582.5 Ų82.552%0.52444%0.443SS..Hα-helixtrans-76.7-40.7-174.9-52.90000110.8D281 R286 K287D281-S283 VanDerWaalsContact C-N 3.31Å; D281-S283 PolarHBondContact O-N 3.18Å; D281-S283 VanDerWaalsContact OD2-CA 3.28Å; D281-S283 WeakPolarHBondContact OD2-CA 3.49Å; D281-S283 WeakPolarHBondContact OD2-CB 3.43Å; D281-S283 PolarHBondContact OD2-N 2.91Å; S283-R286 PolarHBondContact O-N 3.37Å; S283-K287 WeakPolarHBondContact O-CG 3.4Å; S283-K287 PolarHBondContact O-N 3.36Å
284S85.7Confident81.4Confident44 Ų4482.2 Ų82.231%0.30843%0.431SS..Hα-helixtrans-64.8-42.7172.4-58.50000111.7Y279 D281 R286 K287 H288Y279-S284 VanDerWaalsContact CD1-CB 3.49Å; D281-S284 WeakPolarHBondContact OD1-CB 3.48Å; D281-S284 PolarHBondContact OD1-OG 2.82Å; D281-S284 PolarHBondContact OD2-N 2.59Å; S284-R286 VanDerWaalsContact C-N 3.34Å; S284-R286 PolarHBondContact O-N 2.82Å; S284-K287 PolarHBondContact O-N 2.75Å; S284-H288 WeakPolarHBondContact O-CB 3.43Å; S284-H288 PolarHBondContact O-N 3.32Å
285L86.9Confident80.7Confident19 Ų1984.3 Ų84.310%0.09942%0.418CS..Hα-helixtrans-58.6-45.3172176.961.9000111.3C270 Y279 D281 K287 H288 I289C270-L285 HydrophobicContact CB-CD1 4.27Å; Y279-L285 HydrophobicContact CD2-CB 3.95Å; Y279-L285 HydrophobicContact CD2-CD1 3.82Å; Y279-L285 HydrophobicContact CD2-CG 4.49Å; Y279-L285 HydrophobicContact CE2-CD1 4.08Å; Y279-L285 HydrophobicContact CG-CB 4.2Å; D281-L285 PolarHBondContact O-N 3.17Å; L285-K287 PolarHBondContact O-N 3.22Å; L285-H288 WeakPolarHBondContact O-CB 3.27Å; L285-H288 PolarHBondContact O-N 3.39Å; L285-I289 HydrophobicContact CD1-CD1 3.78Å; L285-I289 HydrophobicContact CD1-CG1 3.97Å; L285-I289 HydrophobicContact CD2-CD1 4.27Å; L285-I289 HydrophobicContact CG-CD1 3.76Å; L285-I289 HydrophobicContact CG-CG1 4.32Å; L285-I289 WeakPolarHBondContact O-CG1 3.49Å; L285-I289 PolarHBondContact O-N 3.2Å
286R86.5Confident79.6Confident160 Ų16086.8 Ų86.860%0.60443%0.433SS*.Hα-helixtrans-64.7-39.3179.4-170.4178.8-63.8165.10.8112.9P282 S283 S284 H288 K290P282-R286 WeakPolarHBondContact O-CB 3.38Å; P282-R286 PolarHBondContact O-N 3.29Å; S283-R286 PolarHBondContact O-N 3.37Å; S284-R286 VanDerWaalsContact C-N 3.34Å; S284-R286 PolarHBondContact O-N 2.82Å; R286-H288 VanDerWaalsContact C-N 3.33Å; R286-K290 PolarHBondContact O-N 2.95Å
287K86.4Confident78.5Confident160 Ų16082.6 Ų82.670%0.69642%0.422SS*.Hα-helixtrans-60-44.2172-74.9176.1177.7-175.20111.1S283 S284 L285 K290 A291S283-K287 WeakPolarHBondContact O-CG 3.4Å; S283-K287 PolarHBondContact O-N 3.36Å; S284-K287 PolarHBondContact O-N 2.75Å; L285-K287 PolarHBondContact O-N 3.22Å; K287-K290 PolarHBondContact O-N 3.24Å; K287-A291 PolarHBondContact O-N 3.15Å
288H86.4Confident77.1Confident26 Ų2683.3 Ų83.312%0.1243%0.427CS..Hα-helixtrans-66.2-44.1178.9169.250000113.2C275 Y279 S284 L285 R286 K290 A291 H292C275-H288 PolarHBondContact SG-CE1 3.03Å; C275-H288 PolarHBondContact SG-NE2 2.75Å; Y279-H288 HydrophobicContact CE1-CB 4.44Å; Y279-H288 HydrophobicContact CE2-CB 4.11Å; Y279-H288 AromaticContact CE2-CD2 3.42Å; Y279-H288 VanDerWaalsContact CE2-CD2 3.42Å; Y279-H288 WeakPolarHBondContact CE2-CD2 3.37Å; Y279-H288 AromaticContact CE2-CG 3.93Å; Y279-H288 AromaticContact CZ-CD2 3.69Å; Y279-H288 AromaticContact CZ-CG 3.74Å; Y279-H288 WeakPolarHBondContact OH-CB 3.41Å; Y279-H288 PolarHBondContact OH-CD2 3.22Å; Y279-H288 VanDerWaalsContact OH-CD2 3.29Å; S284-H288 WeakPolarHBondContact O-CB 3.43Å; S284-H288 PolarHBondContact O-N 3.32Å; L285-H288 WeakPolarHBondContact O-CB 3.27Å; L285-H288 PolarHBondContact O-N 3.39Å; R286-H288 VanDerWaalsContact C-N 3.33Å; H288-K290 VanDerWaalsContact C-N 3.29Å; H288-K290 PolarHBondContact O-N 2.81Å; H288-A291 WeakPolarHBondContact O-CB 3.44Å; H288-A291 PolarHBondContact O-N 3.37Å; H288-A291 VanDerWaalsContact O-N 3.12Å; H288-H292 AromaticContact CE1-CD2 3.32Å; H288-H292 PolarHBondContact CE1-CD2 3.05Å; H288-H292 AromaticContact ND1-CD2 3.89Å; H288-H292 AromaticContact NE2-CD2 3.57Å; H288-H292 PolarHBondContact O-N 2.89Å
289I86.1Confident75.3Confident72 Ų7281.7 Ų81.737%0.36943%0.427SS..Hα-helixtrans-62.8-36.5173.7-66.9171000110.8L285 A291 H292 G293L285-I289 HydrophobicContact CD1-CD1 3.78Å; L285-I289 HydrophobicContact CD1-CG1 3.97Å; L285-I289 HydrophobicContact CD2-CD1 4.27Å; L285-I289 HydrophobicContact CG-CD1 3.76Å; L285-I289 HydrophobicContact CG-CG1 4.32Å; L285-I289 WeakPolarHBondContact O-CG1 3.49Å; L285-I289 PolarHBondContact O-N 3.2Å; I289-A291 VanDerWaalsContact C-N 3.35Å; I289-A291 PolarHBondContact O-N 2.81Å; I289-H292 WeakPolarHBondContact O-CB 3.35Å; I289-H292 PolarHBondContact O-N 3.27Å; I289-G293 PolarHBondContact O-N 2.88Å; I289-G293 VanDerWaalsContact O-N 3.08Å
290K86.4Confident73.5Confident165 Ų16586.9 Ų86.972%0.71745%0.454SS*.Hα-helixtrans-64.4-37.9172.8-170.9176.5179.5-176.60112.2R286 K287 H288 H292 G293 H294R286-K290 PolarHBondContact O-N 2.95Å; K287-K290 PolarHBondContact O-N 3.24Å; H288-K290 VanDerWaalsContact C-N 3.29Å; H288-K290 PolarHBondContact O-N 2.81Å; K290-H292 VanDerWaalsContact C-N 3.34Å; K290-G293 PolarHBondContact O-N 3.38Å; K290-H294 PolarHBondContact O-N 3.13Å
291A82.6Confident71.5Confident59 Ų5987.6 Ų87.649%0.48847%0.467SS..Hα-helixtrans-64.2-37.7174.400000112.1K287 H288 I289 H294 F295K287-A291 PolarHBondContact O-N 3.15Å; H288-A291 WeakPolarHBondContact O-CB 3.44Å; H288-A291 PolarHBondContact O-N 3.37Å; H288-A291 VanDerWaalsContact O-N 3.12Å; I289-A291 VanDerWaalsContact C-N 3.35Å; I289-A291 PolarHBondContact O-N 2.81Å; A291-H294 WeakPolarHBondContact O-CB 3.29Å; A291-H294 PolarHBondContact O-N 3.03Å; A291-F295 PolarHBondContact O-N 2.87Å; A291-F295 VanDerWaalsContact O-N 3.1Å
292H80.3Confident69.3Low49 Ų4991.5 Ų91.523%0.22749%0.494CS..Hα-helixtrans-60.7-42.6170.9-86-61.9000113.2M272 C275 H288 I289 K290 H294 F295 V296M272-H292 HydrophobicContact CE-CB 3.84Å; M272-H292 HydrophobicContact SD-CB 3.62Å; M272-H292 PolarHBondContact SD-CE1 3.33Å; M272-H292 VanDerWaalsContact SD-CG 3.5Å; M272-H292 PolarHBondContact SD-ND1 3.38Å; M272-H292 VanDerWaalsContact SD-ND1 3.38Å; C275-H292 WeakPolarHBondContact CB-NE2 3.48Å; H288-H292 AromaticContact CE1-CD2 3.32Å; H288-H292 PolarHBondContact CE1-CD2 3.05Å; H288-H292 AromaticContact ND1-CD2 3.89Å; H288-H292 AromaticContact NE2-CD2 3.57Å; H288-H292 PolarHBondContact O-N 2.89Å; I289-H292 WeakPolarHBondContact O-CB 3.35Å; I289-H292 PolarHBondContact O-N 3.27Å; K290-H292 VanDerWaalsContact C-N 3.34Å; H292-H294 PolarHBondContact O-N 3.44Å; H292-F295 PolarHBondContact O-N 3.37Å; H292-V296 WeakPolarHBondContact O-CG2 3.29Å; H292-V296 PolarHBondContact O-N 2.81Å
293G71.4Confident67.6Low43 Ų4395.7 Ų95.744%0.44352%0.521SS..Hα-helixtrans-58.7-32.7174.700000112.8I289 K290 A297I289-G293 PolarHBondContact O-N 2.88Å; I289-G293 VanDerWaalsContact O-N 3.08Å; K290-G293 PolarHBondContact O-N 3.38Å; G293-A297 VanDerWaalsContact O-CB 3.27Å; G293-A297 WeakPolarHBondContact O-CB 3.2Å; G293-A297 PolarHBondContact O-N 3.34Å; G293-A297 VanDerWaalsContact O-N 3.13Å
294H65.6Low65.1Low139 Ų13997.6 Ų97.664%0.64454%0.535SS*.Hα-helixtrans-71.9-33.8174.6-138.1-61.3000113.1K290 A291 H292 Q298K290-H294 PolarHBondContact O-N 3.13Å; A291-H294 WeakPolarHBondContact O-CB 3.29Å; A291-H294 PolarHBondContact O-N 3.03Å; H292-H294 PolarHBondContact O-N 3.44Å; H294-Q298 PolarHBondContact O-N 3.04Å
295F58.4Low62.7Low123 Ų12398.9 Ų98.954%0.53956%0.555SS.*Hα-helixtrans-73-46.7177.1-140-82.1000111A291 H292 A297 Q298 E299A291-F295 PolarHBondContact O-N 2.87Å; A291-F295 VanDerWaalsContact O-N 3.1Å; H292-F295 PolarHBondContact O-N 3.37Å; F295-A297 VanDerWaalsContact C-N 3.29Å; F295-A297 PolarHBondContact O-N 3.16Å; F295-Q298 WeakPolarHBondContact O-CB 3.42Å; F295-Q298 PolarHBondContact O-N 3.4Å; F295-E299 HydrophobicContact CD1-CG 3.96Å; F295-E299 HydrophobicContact CE1-CG 4.28Å; F295-E299 WeakPolarHBondContact O-CG 3.47Å; F295-E299 PolarHBondContact O-N 3.22Å
296V56.3Low60.4Low60 Ų60105.8 Ų105.836%0.36460%0.597SS.*Hα-helixtrans-63.6-34.6176.9176.90000111.7M272 H292 Q298 Q300M272-V296 HydrophobicContact CE-CG2 4.24Å; M272-V296 HydrophobicContact SD-CG2 4.27Å; H292-V296 WeakPolarHBondContact O-CG2 3.29Å; H292-V296 PolarHBondContact O-N 2.81Å; V296-Q298 VanDerWaalsContact C-N 3.25Å; V296-Q298 PolarHBondContact O-N 3.07Å; V296-Q300 WeakPolarHBondContact O-CG 3.38Å; V296-Q300 PolarHBondContact O-N 3.2Å
297A56.2Low57.8Low78 Ų78101.6 Ų101.665%0.64560%0.604SS**Hα-helixtrans-69.6-19.2173.100000113.9G293 F295G293-A297 VanDerWaalsContact O-CB 3.27Å; G293-A297 WeakPolarHBondContact O-CB 3.2Å; G293-A297 PolarHBondContact O-N 3.34Å; G293-A297 VanDerWaalsContact O-N 3.13Å; F295-A297 VanDerWaalsContact C-N 3.29Å; F295-A297 PolarHBondContact O-N 3.16Å
298Q52.2Low55.2Low140 Ų14099.5 Ų99.565%0.65461%0.61SS**Hα-helixtrans-88.5-37175.5-174.8171.5-13.900111.6H294 F295 V296 Q300 G301H294-Q298 PolarHBondContact O-N 3.04Å; F295-Q298 WeakPolarHBondContact O-CB 3.42Å; F295-Q298 PolarHBondContact O-N 3.4Å; V296-Q298 VanDerWaalsContact C-N 3.25Å; V296-Q298 PolarHBondContact O-N 3.07Å; Q298-Q300 VanDerWaalsContact C-N 3.27Å; Q298-Q300 PolarHBondContact O-N 3.04Å; Q298-G301 PolarHBondContact O-N 2.65Å
299E42.6Very low52.7Low140 Ų140105.3 Ų105.365%0.65464%0.641SS**Hα-helixtrans-75.3-7.7178.1-62.4-75.2118.900114F295F295-E299 HydrophobicContact CD1-CG 3.96Å; F295-E299 HydrophobicContact CE1-CG 4.28Å; F295-E299 WeakPolarHBondContact O-CG 3.47Å; F295-E299 PolarHBondContact O-N 3.22Å
300Q43.2Very low50.3Low161 Ų161109.2 Ų109.275%0.75266%0.662SS**THydrogen-bonded Turntrans-100.520.7174.5-68.8-170.42.800113.8V296 Q298V296-Q300 WeakPolarHBondContact O-CG 3.38Å; V296-Q300 PolarHBondContact O-N 3.2Å; Q298-Q300 VanDerWaalsContact C-N 3.27Å; Q298-Q300 PolarHBondContact O-N 3.04Å
301G38Very low47.6Very low45 Ų45111.9 Ų111.946%0.46467%0.673SS.*SBendtrans-64.4154.4155.900000111.2Q298Q298-G301 PolarHBondContact O-N 2.65Å
302P37.3Very low45.1Very low117 Ų117112.1 Ų112.176%0.7668%0.681SS**  trans-66145.3-177.227.5-34.9000111.9S304P302-S304 PolarHBondContact O-N 3.14Å
303P45.1Very low42.7Very low134 Ų134115.1 Ų115.187%0.8771%0.708SS**  trans-73.193.8-178.629.7-34.8000111.4
304S34.1Very low40.8Very low116 Ų116122 Ų12281%0.81173%0.728SS**  trans-141132.7159.8-70.90000106.7P302P302-S304 PolarHBondContact O-N 3.14Å
305G34.2Very low39.1Very low71 Ų71120.7 Ų120.773%0.73274%0.735SS**  cis145.9133.614.100000105.4G307G305-G307 PolarHBondContact O-N 2.94Å; G305-G307 VanDerWaalsContact O-N 3.09Å
306V40Very low37.6Very low164 Ų164118.9 Ų118.999%0.99475%0.751SS**  trans-65.4115.7-169.7-71.30000111.4
307G30.2Very low36.1Very low72 Ų72119.5 Ų119.574%0.74277%0.769SS**  trans-163.8133.9-178.300000110.8G305G305-G307 PolarHBondContact O-N 2.94Å; G305-G307 VanDerWaalsContact O-N 3.09Å
308S33.3Very low35.4Very low116 Ų116121.7 Ų121.781%0.81178%0.777SS**  trans-113.1169.3-176.5-57.30000111.9
309L34.3Very low34.2Very low148 Ų148121.3 Ų121.378%0.77579%0.79SS**  trans79.3111.1158.1-61.2160.1000119.5
310L34.3Very low33.4Very low154 Ų154118 Ų11881%0.80679%0.793SS**  trans70.1136.6130.8-56.2174.7000121.8
311K31Very low32.5Very low221 Ų221115.9 Ų115.996%0.96180%0.803SS**  trans64153.4167.6-75.4175.1172175.70116.6
312G28.4Very low31.9Very low63 Ų63117.5 Ų117.565%0.64982%0.82SS**  cis162.297.6-12.700000115.8
313S30.7Very low31.3Very low113 Ų113117.6 Ų117.679%0.7982%0.823SS**  trans66.1145.5158.2-55.70000120.5
314Q32.1Very low30.5Very low187 Ų187119.8 Ų119.887%0.87482%0.819SS**  trans72158.5167-58.1179.3105.400117.5
315S28.6Very low30Very low111 Ų111120.5 Ų120.578%0.77681%0.813SS**  cis-169159.2-37.758.10000109.6
316G27.8Very low29.7Very low85 Ų85122.4 Ų122.488%0.87682%0.816SS**  trans103.1158.2165.200000117.7
317G25.2Very low29.1Very low73 Ų73123 Ų12375%0.75381%0.808SS**  trans-144-143.2166.900000107.5
318P42.1Very low29.1Very low125 Ų125127.1 Ų127.181%0.81281%0.812SS**  cis-129.7150.2-29.538.4-24.4000113.1
319S26Very low28.9Very low132 Ų132127.3 Ų127.392%0.92381%0.81SS**  trans-179.2161.1164-830000109.4
320G24.8Very low28.7Very low69 Ų69129.3 Ų129.371%0.71181%0.809SS**  cis164.1124-8.300000112.6
321A25.4Very low28.5Very low118 Ų118128.9 Ų128.998%0.97581%0.812SS**  trans63.4159.117300000119.1
322G25.2Very low28.5Very low79 Ų79122.1 Ų122.181%0.81479%0.793SS**  trans131.992.5168.900000115.8
323S25.3Very low28.6Very low118 Ų118121.3 Ų121.383%0.82578%0.784SS**  trans-86.9145.5174.3-50.90000112.5
324K28.2Very low28.6Very low181 Ų181120.3 Ų120.379%0.78778%0.783SS**  174.6131.5115.2-93.1179-178.9-1770114.5
325D24Very low28.9Very low130 Ų130119.4 Ų119.470%0.69578%0.779SS**  trans54.7131.4133.7-46-26.5000124
326S27.6Very low29.4Very low112 Ų112118.5 Ų118.578%0.78376%0.764SS**  trans88.2151.1142.570.60000122.4
327E26.6Very low30.2Very low175 Ų175119.8 Ų119.882%0.81875%0.75SS**  trans67.2100.2169.4-57.8-66.679.600120.2
328L29.5Very low30.9Very low160 Ų160122.5 Ų122.584%0.83875%0.745SS**  trans-83.1152.3153.5-72.5168.4000110.1
329P30.6Very low30.6Very low119 Ų119121.6 Ų121.677%0.77374%0.74SS**  trans-115.4109.1131.232-30.9000112.5V331P329-V331 PolarHBondContact O-N 2.73Å
330Y29.8Very low30.7Very low191 Ų191118.8 Ų118.875%0.74973%0.732SS**  trans-59.7116.4165.3167.8-89.2000110.7S332Y330-S332 WeakPolarHBondContact OH-CB 3.49Å; Y330-S332 PolarHBondContact OH-OG 2.95Å
331V29Very low31.4Very low144 Ų144120.8 Ų120.887%0.87374%0.742SS**  trans-117.8110.9165.9-177.20000109.2P329P329-V331 PolarHBondContact O-N 2.73Å
332S31.3Very low31.6Very low80 Ų80119.8 Ų119.856%0.55973%0.733SS**  trans-116.9168.8-171.7-179.10000111.7Y330Y330-S332 WeakPolarHBondContact OH-CB 3.49Å; Y330-S332 PolarHBondContact OH-OG 2.95Å
333G30.3Very low31.8Very low45 Ų45121.1 Ų121.146%0.46474%0.737SS.*  trans86.767.1160.600000116.5H335G333-H335 PolarHBondContact O-CD2 3.29Å; G333-H335 VanDerWaalsContact O-CD2 3.31Å; G333-H335 PolarHBondContact O-N 3.41Å
334A31.4Very low32.3Very low93 Ų93119.9 Ų119.977%0.76973%0.734SS**  trans-69.676158.800000110.6I336A334-I336 PolarHBondContact O-N 2.94Å
335H37.7Very low32.5Very low168 Ų168119.3 Ų119.378%0.77874%0.738SS**  trans-63.7115.2-176.5-83.2-95.8000112.2G333 I337G333-H335 PolarHBondContact O-CD2 3.29Å; G333-H335 VanDerWaalsContact O-CD2 3.31Å; G333-H335 PolarHBondContact O-N 3.41Å; H335-I337 PolarHBondContact O-N 2.88Å
336I40.2Very low32.9Very low91 Ų91121.7 Ų121.747%0.46775%0.75SS.*  trans-81.4101.8168.4-58.5175000107.8A334A334-I336 PolarHBondContact O-N 2.94Å
337I43.7Very low33Very low113 Ų113120.2 Ų120.258%0.57975%0.752SS**  trans-76.7126.9173-58.3176.2000108.5H335H335-I337 PolarHBondContact O-N 2.88Å
338I40.1Very low33.1Very low129 Ų129115.5 Ų115.566%0.66275%0.75SS**  trans-106.8115.9166.8-58.6174.7000106G340I338-G340 PolarHBondContact O-N 3.3Å; I338-G340 VanDerWaalsContact O-N 3.16Å
339P36.8Very low33.2Very low107 Ų107117 Ų11770%0.69575%0.753SS**  trans-61.4116.6171.8-2334.6000110.1
340G28.3Very low33.3Very low73 Ų73117.9 Ų117.975%0.75376%0.756SS**  trans-80.5134.516800000109.8I338 A342I338-G340 PolarHBondContact O-N 3.3Å; I338-G340 VanDerWaalsContact O-N 3.16Å; G340-A342 PolarHBondContact O-N 3.22Å; G340-A342 VanDerWaalsContact O-N 3.16Å
341A38.2Very low33.5Very low111 Ų111117.1 Ų117.192%0.91776%0.764SS**SBendtrans-83.288179.100000111.1
342A30.5Very low33.6Very low97 Ų97119.7 Ų119.780%0.80277%0.767SS**  trans-178.496.3155.200000111.6G340G340-A342 PolarHBondContact O-N 3.22Å; G340-A342 VanDerWaalsContact O-N 3.16Å
343A29.9Very low33.5Very low107 Ų107119.5 Ų119.588%0.88478%0.777SS**  trans-166109.8154.800000108.5
344A34.6Very low33.6Very low92 Ų92124.4 Ų124.476%0.7680%0.798SS**  trans-96-179.3166.100000109.7
345L33.1Very low33.5Very low169 Ų169124 Ų12489%0.88580%0.803SS**  trans81.5108175.2-50.2-178.2000116.4
346L32Very low33.1Very low180 Ų180120 Ų12094%0.94281%0.806SS**  trans-40.1149.7140.6-48.1162.1000110.2
347G28.9Very low32.7Very low80 Ų80121.6 Ų121.683%0.82583%0.826SS**  cis151.1142.9300000108.9
348G28.8Very low32Very low76 Ų76123.9 Ų123.978%0.78484%0.838SS**  trans170.2108.7179.500000115
349H31.4Very low32.2Very low191 Ų191122.6 Ų122.688%0.88484%0.839SS**  trans-140.6119.3166.8-87-70.1000109.5
350T32.7Very low31.9Very low138 Ų138125.1 Ų125.185%0.84785%0.845SS**  trans-174.1121.3149.423.60000104.8
351L35.3Very low32.1Very low175 Ų175127 Ų12792%0.91685%0.847SS**  56.2130.658.1-68.7-178.9000113.8
352Q30.6Very low31.8Very low199 Ų199127.7 Ų127.793%0.9384%0.842SS**  trans-105.9126.1-157.7-173.3174.3000109.9
353G28.4Very low31.8Very low75 Ų75131.7 Ų131.777%0.77385%0.849SS**  trans-144.4142.6179.500000110.6
354V34.1Very low31.9Very low148 Ų148131.6 Ų131.690%0.89784%0.842SS**  trans-98.7134.6-166.3-77.50000114.1
355G28.8Very low31.9Very low86 Ų86133 Ų13389%0.88784%0.843SS**  trans32.6115.4151.800000121.3
356G28.6Very low31.9Very low82 Ų82136.2 Ų136.285%0.84584%0.843SS**  trans-168.9120.9164.300000112
357S31.1Very low32Very low125 Ų125133.1 Ų133.187%0.87483%0.834SS**  trans-59.7145.6-169.545.40000117.8
358L30.3Very low32.1Very low161 Ų161137.6 Ų137.684%0.84384%0.839SS**  trans-61.6176.4163.5-74.7166.9000114
359P44Very low32.1Very low103 Ų103141.6 Ų141.667%0.66984%0.842SS**  cis-132.4173.6-16.328.8-8.5000114.7
360L29.6Very low31.9Very low160 Ų160140.9 Ų140.984%0.83884%0.844SS**  174115.6117.5-93.5168.9000113.6
361S32.2Very low31.8Very low113 Ų113140.2 Ų140.279%0.7984%0.839SS**  trans36.6141.3155.1-58.70000123.8
362P33.8Very low31.5Very low125 Ų125137.4 Ų137.481%0.81283%0.83SS**PPolyproline II helixtrans-96.3158.9-173.638.8-36.5000115.2
363L28.5Very low31.6Very low180 Ų180136.1 Ų136.194%0.94283%0.829SS**PPolyproline II helixtrans-101.2131.3165.4-79.7168.5000111.3
364S32.8Very low31.5Very low106 Ų106136 Ų13674%0.74183%0.827SS**PPolyproline II helixtrans-95.7142.5178.1-175.30000111.4
365P35.2Very low31.4Very low120 Ų120134.8 Ų134.878%0.77983%0.825SS**PPolyproline II helixtrans-70.9129.7175.229.5-34.3000111.6
366R32.4Very low32.3Very low237 Ų237136.1 Ų136.189%0.89482%0.818SS**PPolyproline II helixtrans-84.7142.4171.2-84-179.4165.9163.5-4.9111.4
367P35.4Very low32.4Very low116 Ų116140 Ų14075%0.75382%0.819SS**PPolyproline II helixtrans-72.2164.2159.933.8-34.5000110.7
368L30.4Very low32.3Very low174 Ų174139.5 Ų139.591%0.91182%0.816SS**  trans-115.2118172.3-72.2173.8000110.1
369D27.7Very low32.5Very low160 Ų160137.2 Ų137.286%0.85681%0.814SS**  trans-126.9132.4161.6-97.8-48.8000107.1
370L28.5Very low32.9Very low175 Ų175138.4 Ų138.492%0.91682%0.821SS**  trans-159.498.6164.2-152.473.1000113.1
371T29.1Very low32.9Very low124 Ų124135.3 Ų135.376%0.76182%0.819SS**  trans-83.9150142.649.30000107.2
372T30Very low32.9Very low116 Ų116135 Ų13571%0.71282%0.816SS**  -178.6-178.168.2-54.60000108.4
373L31.7Very low32.8Very low173 Ų173137.4 Ų137.491%0.90682%0.822SS**  trans92.4126.4172.8-51.7174.8000114.6
374G26.7Very low32.9Very low72 Ų72132.4 Ų132.474%0.74281%0.814SS**  cis-173.1172.1-4.700000113.4
375S32.2Very low32.8Very low122 Ų122131.3 Ų131.385%0.85382%0.819SS**  trans-131.2159.5-176.7-480000111.7
376P48Very low32.7Very low114 Ų114132.1 Ų132.174%0.7482%0.822SS**  trans-136.9135.6155.235.4-20.1000115.8
377N30.7Very low32.7Very low163 Ų163125.3 Ų125.387%0.87281%0.811SS**  trans65.5153.5151.9-56.3-16.5000119
378S29.7Very low32.6Very low116 Ų116126.5 Ų126.581%0.81181%0.809SS**  cis-142.9158.38.553.30000114.1
379S34.8Very low32.6Very low113 Ų113125.7 Ų125.779%0.7981%0.805SS**  trans-95.6-164.3175.2-28.30000111.6
380P51.7Low32.7Very low128 Ų128123 Ų12383%0.83180%0.799SS**  cis-105.3-152.1-2.536.6-18.4000111.3
381A30.3Very low32.7Very low94 Ų94124.5 Ų124.578%0.77780%0.798SS**  cis-160.5-168.97.100000108.5
382S30.5Very low32.9Very low106 Ų106126.1 Ų126.174%0.74180%0.802SS**  -164.7168.2-60-170.10000108.8
383L33.5Very low32.8Very low177 Ų177124.4 Ų124.493%0.92781%0.807SS**  trans66.3143.4-177.4-54.2168.4000115.7
384G29Very low33Very low75 Ų75121.8 Ų121.877%0.77380%0.803SS**  cis166.3158.8-9.700000112.5
385G30.6Very low34Very low82 Ų82123.6 Ų123.685%0.84580%0.802SS**  trans110106.5162.300000118.3
386T33.5Very low34Very low138 Ų138126.1 Ų126.185%0.84781%0.805SS**  trans-77.2172.6150.655.70000109.2
387S32.8Very low33Very low94 Ų94123.6 Ų123.666%0.65780%0.8SS**  cis-175.616529.5-150.30000113.7
388I32.6Very low33Very low140 Ų140124.6 Ų124.672%0.71880%0.804SS**  trans41.3127154.852.8161.5000125.7
389L31.3Very low33Very low157 Ų157122.9 Ų122.982%0.82280%0.797SS**  78.4131.5127.5-67171000124.5
390S30.6Very low32.7Very low104 Ų104127.3 Ų127.373%0.72780%0.802SS**  trans-47.9157.7168.5-37.40000118.3
391F26.4Very low31.9Very low206 Ų206125.6 Ų125.690%0.90480%0.799SS**  -159.4167.8119.9-124.7-89000112.7
392N33.9Very low32.9Very low159 Ų159126.5 Ų126.585%0.8580%0.797SS**  trans-81.5154.4-177.5-70.5-33000114
393G28.1Very low32.8Very low79 Ų79128.4 Ų128.481%0.81480%0.798SS**  trans160.5104.915700000116.9
394S36.9Very low32.7Very low118 Ų118126.7 Ų126.783%0.82579%0.789SS**  trans-93.6157.8154.4-46.40000108.6
395P47.9Very low32.6Very low111 Ų111128 Ų12872%0.72179%0.786SS**  -159.3178.487.543.3-24000117.5
396L30.4Very low32.7Very low174 Ų174129.2 Ų129.291%0.91178%0.782SS**  trans68.3145.5164.5-51.1-179.1000118
397G27.6Very low32.5Very low62 Ų62126.4 Ų126.464%0.63977%0.773SS**  cis175.4-173.9-5.600000113.6
398L31Very low32.6Very low183 Ų183131.9 Ų131.996%0.95879%0.785SS**  trans72141.3175.3-65.5166.1000116.9
399A29.1Very low33.2Very low80 Ų80130.9 Ų130.966%0.66179%0.788SS**  cis-158.6162.1-6.500000114.4
400K28.2Very low33.1Very low206 Ų206128.4 Ų128.490%0.89678%0.784SS**  trans59.8104.2155.1-75.5175.7175.5177.70120.7
401A36.7Very low33.1Very low93 Ų93129.1 Ų129.177%0.76979%0.789SS**  trans-89.6175.113300000109.5
402P50.8Low33.2Very low112 Ų112123.6 Ų123.673%0.72778%0.781SS**  -146.5146.588.138.6-21.7000114.2
403L28.8Very low33.2Very low146 Ų146124.7 Ų124.776%0.76479%0.786SS**  154.9151.2101.2-78.9179.7000105.1
404L30.5Very low33.1Very low141 Ų141124.7 Ų124.774%0.73879%0.786SS**  cis-146.4150.2-19.1-85.4160.7000103.7
405S27.9Very low33Very low103 Ų103127 Ų12772%0.7279%0.788SS**  cis69.1131.645.4-62.70000115.8
406S31.3Very low33Very low108 Ų108126.4 Ų126.476%0.75578%0.784SS**  cis-172.7140.8-14.745.40000112.3
407A29.5Very low32.9Very low79 Ų79125.6 Ų125.665%0.65378%0.778SS**  trans39.3117.2138.500000123.3
408F34.5Very low33.1Very low209 Ų209128 Ų12892%0.91778%0.78SS**  trans54.5175.3135.9-58-67000119.7
409P46.9Very low33.5Very low118 Ų118124.8 Ų124.877%0.76677%0.77SS**  cis-130.2-162.6-4.244.5-26.7000115.7
410S28Very low33.6Very low106 Ų106127.1 Ų127.174%0.74178%0.776SS**  trans-32.5152.7178.5-42.60000123.8
411S30.3Very low33.8Very low119 Ų119125.4 Ų125.483%0.83278%0.775SS**  121.3135.9129.2-65.50000120.9
412A30Very low33.4Very low89 Ų89124.4 Ų124.474%0.73677%0.774SS**  trans97.5123.1141.100000123.3
413L32.6Very low33Very low182 Ų182125.2 Ų125.295%0.95378%0.779SS**  trans70127.5149.5-61.9170.9000121.6
414G27.4Very low33.2Very low80 Ų80124.8 Ų124.883%0.82578%0.783SS**  trans144.589.9164.600000116.2
415L33.7Very low33.1Very low165 Ų165122.9 Ų122.986%0.86478%0.782SS**  trans-111.9171.4169.7-82.8178.2000109.9
416P47.1Very low33.1Very low99 Ų99126.9 Ų126.964%0.64379%0.789SS**  cis-125.5-16511.943.5-27000112.9
417M28.7Very low33Very low157 Ų157133 Ų13377%0.77380%0.795SS**  cis-135.1166.32.7-81-65.3179.800107.6
418V31.3Very low32.9Very low114 Ų114140.8 Ų140.869%0.69181%0.808SS**  cis79.312825.5-179.90000115.5
419P41.2Very low33.4Very low115 Ų115135.7 Ų135.775%0.74780%0.796SS**  cis-123-163.8-28.631-7000110.2
420V30.3Very low32.5Very low128 Ų128139.1 Ų139.178%0.77680%0.801SS**  cis-150.8143.934.3173.50000111.6
421L32.2Very low32.5Very low170 Ų170138.1 Ų138.189%0.8979%0.794SS**  trans-125.7150160.6-87.2166.9000109.6
422G27.9Very low32.4Very low72 Ų72141 Ų14174%0.74279%0.794SS**  trans-93136.1173.600000112.1
423P43.8Very low32.3Very low129 Ų129145.9 Ų145.984%0.83880%0.802SS**  trans-98.4165.5-176.437.9-35.7000114.3
424T32.1Very low32.2Very low138 Ų138141.5 Ų141.585%0.84779%0.791SS**  trans-109.4150.5162.549.50000110.4
425S28.7Very low32.4Very low101 Ų101147.9 Ų147.971%0.70680%0.797SS**  147.5143.3128.5-157.10000115.8
426E27.8Very low32.1Very low187 Ų187152 Ų15287%0.87480%0.801SS**  trans62.4179.5149.1-84.7-172.3122.600124.1
427R28Very low31.2Very low235 Ų235150.6 Ų150.689%0.88780%0.804SS**  trans-147.2163.4-147.6-95.1-175.1165.6-160.9-2.4112.8
428R28.1Very low31.3Very low243 Ų243153.6 Ų153.692%0.91781%0.807SS**  trans89.1157.6165.4-67.7-179.1166167.5-3.7116.2
429P45Very low31.2Very low102 Ų102151.1 Ų151.166%0.66280%0.804SS**  cis-122.9-177.5-21.734-17.3000112.1
430H28.4Very low30.6Very low191 Ų191151.3 Ų151.388%0.88480%0.799SS**  -176168.5129.8-97.2-63.5000110.3
431S27.3Very low30.6Very low85 Ų85153.3 Ų153.359%0.59480%0.8SS**  trans-143.4170.9-166.656.60000113.1
432H29.6Very low30.5Very low180 Ų180150.2 Ų150.283%0.83380%0.799SS**  trans72.2154.7-177.1-48.7-74.8000113.1
433Q28.1Very low30.7Very low191 Ų191155.7 Ų155.789%0.89381%0.805SS**  cis-140.3160.927.9-167.6177.685.400113
434A29.9Very low29.9Very low89 Ų89156.9 Ų156.974%0.73681%0.805SS**  trans-103.5163-17700000113.1
435K30.5Very low30Very low214 Ų214158 Ų15893%0.9380%0.8SS**  trans-139.9157.4160.9-114174.9-179.4176.80111.1
436R29Very low30.1Very low253 Ų253160.4 Ų160.496%0.95580%0.802SS**  trans-124156.4-162.6-66.1-178.1173.9-161.3-0.7113.9
437G28.1Very low30.3Very low69 Ų69155.9 Ų155.971%0.71180%0.796SS**  trans176.9124.6157.100000106
438R29.9Very low30.5Very low219 Ų219148.6 Ų148.683%0.82679%0.794SS**  cis63.3114.725.6-147.5-162.8-146.4-62.92.2112.5D440R438-D440 IonicContact CZ-OD1 2.75Å; R438-D440 IonicContact NH1-OD1 3.63Å; R438-D440 PolarHBondContact NH1-OD1 2.82Å
439G28.7Very low30.4Very low62 Ų62148.5 Ų148.564%0.63979%0.794SS**  cis-152.3-145-800000110.8
440D29.4Very low29.6Very low120 Ų120148.7 Ų148.764%0.64279%0.793SS**  cis-146.9-179.5-0.7-74.2-64.6000110.1R438R438-D440 IonicContact CZ-OD1 2.75Å; R438-D440 IonicContact NH1-OD1 3.63Å; R438-D440 PolarHBondContact NH1-OD1 2.82Å
441E29.6Very low29.6Very low169 Ų169146.2 Ų146.279%0.7979%0.786SS**  trans-54.4147.3-166.6-64.5130.7-172.600118.7
442A30.3Very low29.7Very low105 Ų105148.9 Ų148.987%0.86879%0.793SS**  trans-157.4108.8141.800000108.9
443E31.6Very low29.6Very low187 Ų187147 Ų14787%0.87479%0.788SS**  trans-103.9144.4175.9-56.6-167.5136.300110
444D27.2Very low29.6Very low155 Ų155142.6 Ų142.683%0.82978%0.779SS**  -166.1171.8113.7-133.2-42.9000112.1
445E34.1Very low29.6Very low161 Ų161144.9 Ų144.975%0.75278%0.784SS**  trans-67.6170.2-175.5-57.8-159.210100114.2
446M31.1Very low29.4Very low152 Ų152138.6 Ų138.675%0.74978%0.78SS**  cis-158148.523.7-17638.2155.700113.9
447A32.3Very low29.3Very low91 Ų91130.4 Ų130.475%0.75277%0.774SS**  trans58.2142.7157.300000122.1
448G31.9Very low29.3Very low82 Ų82132 Ų13285%0.84577%0.774SS**  trans119.73.4141.300000120.4
449R27.2Very low29.4Very low242 Ų242130.3 Ų130.391%0.91378%0.775SS**  trans-66.4151.3171.5-93.8-160.6174.4-167.71.1112.4
450V27.2Very low29.7Very low106 Ų106134.6 Ų134.664%0.64278%0.784SS**  cis-162160.2-11.998.20000111.9
451L28Very low30.4Very low138 Ų138134.4 Ų134.472%0.72379%0.789SS**  trans-7.5150151.8-51.3172.6000119
452N29.2Very low30.7Very low141 Ų141134.5 Ų134.575%0.75479%0.794SS**  51.2140.164.4-75.5-31000113.3
453L28.6Very low30.6Very low140 Ų140134.2 Ų134.273%0.73379%0.786SS**  cis-161.6153.213.8-15682.2000110.3
454S28.7Very low30.5Very low100 Ų100137.1 Ų137.170%0.69979%0.789SS**  trans53.7147159-570000120.1
455T29.9Very low30.6Very low137 Ų137135.3 Ų135.384%0.8478%0.783SS**  -176.9136.158.6-56.10000112.2
456G25.1Very low30.5Very low82 Ų82134.1 Ų134.185%0.84579%0.787SS**  trans55141.4143.800000123.7
457G26.5Very low30.8Very low81 Ų81133.6 Ų133.684%0.83579%0.785SS**  trans160.1102161.500000118.4
458S29.4Very low31Very low101 Ų101134.1 Ų134.171%0.70678%0.781SS**  trans-24.1143.8160.1153.90000119.1
459H31.8Very low31.3Very low184 Ų184136.9 Ų136.985%0.85278%0.784SS**  -167.6136.8129.7-95.6-64.6000113.6
460D34.4Very low31.7Very low153 Ų153128.5 Ų128.582%0.81877%0.773SS**  trans-92.6-173.5162.7-73.2-60.4000110.4
461P45.2Very low32.3Very low116 Ų116128.5 Ų128.575%0.75379%0.785SS**  -121.2150.2-71.736.7-22.8000112S463P461-S463 PolarHBondContact O-N 2.92Å
462L34.7Very low32.8Very low171 Ų171128 Ų12890%0.89579%0.787SS**  trans-69.1127.1178.7-87.1118.1000113.3
463S28.7Very low33.1Very low99 Ų99127.7 Ų127.769%0.69279%0.79SS**  trans-74.5151166.250.50000111.5P461P461-S463 PolarHBondContact O-N 2.92Å
464W30.3Very low33.4Very low247 Ų247128.6 Ų128.694%0.93679%0.794SS**  trans-90.3106.4174-60.9-22.4000110.3
465V29.5Very low33.6Very low117 Ų117132.9 Ų132.971%0.70980%0.801SS**  trans-80.5120.8168.9179.10000108.7I467V465-I467 HydrophobicContact CG1-CG1 4.22Å
466V31.4Very low34.2Very low136 Ų136132.2 Ų132.282%0.82480%0.798SS**  trans-82.8119.5172.7178.30000108.6
467I37.4Very low34.7Very low141 Ų141132.8 Ų132.872%0.72380%0.795SS**  trans-106.4125174.7-56.6177.6000108.2V465V465-I467 HydrophobicContact CG1-CG1 4.22Å
468P35.8Very low35.3Very low103 Ų103135.7 Ų135.767%0.66980%0.796SS**  trans-74.8153.7176.631.5-34.7000111.7G470P468-G470 PolarHBondContact O-N 3.38Å; P468-G470 VanDerWaalsContact O-N 3.15Å
469P39.3Very low35.8Very low139 Ų139136.9 Ų136.990%0.90380%0.799SS**  trans-76.3103.6-175.430.3-34.5000112.3
470G35.8Very low36.2Very low66 Ų66139.2 Ų139.268%0.6882%0.818SS**  trans-102.8130.1163.600000110.6P468P468-G470 PolarHBondContact O-N 3.38Å; P468-G470 VanDerWaalsContact O-N 3.15Å
471A39Very low36.2Very low107 Ų107138.5 Ų138.588%0.88482%0.818SS**  trans-73.5131.2-178.400000111.8
472V38.2Very low35.8Very low127 Ų127139.7 Ų139.777%0.7782%0.821SS**  trans-117.2117.5171.8179.90000108.8L474V472-L474 PolarHBondContact O-N 3.43Å
473V35Very low35.8Very low135 Ų135137.9 Ų137.982%0.81882%0.817SS**  trans-79.9113.8175.9178.10000109K475V473-K475 PolarHBondContact O-N 3.15Å
474L35.5Very low36.3Very low158 Ų158140.2 Ų140.283%0.82782%0.824SS**  trans-74.7116172.5-68.1173000110V472V472-L474 PolarHBondContact O-N 3.43Å
475K33.8Very low36.6Very low191 Ų191133.6 Ų133.683%0.8382%0.817SS**PPolyproline II helixtrans-78.4137.7156.9-78.8-174.7172.8-1790108.7V473V473-K475 PolarHBondContact O-N 3.15Å
476P41Very low37.1Very low122 Ų122134.7 Ų134.779%0.79283%0.825SS**PPolyproline II helixtrans-68.1132.4169.529.2-33.1000109.7
477A36.1Very low37.5Very low94 Ų94134.6 Ų134.678%0.77783%0.825SS**PPolyproline II helixtrans-78.6134.7167.400000109.4
478V40.1Very low37.5Very low142 Ų142134.1 Ų134.186%0.86183%0.832SS**PPolyproline II helixtrans-76.5138.1170.5176.80000108.4
479V39.3Very low37.7Very low126 Ų126136.7 Ų136.776%0.76485%0.846SS**PPolyproline II helixtrans-85.2125.3177.2176.80000110.1
480N39Very low37.5Very low233 Ų233136.5 Ų136.5100%1.24684%0.841SS**  trans-168.60139.5-94-17.6000108.5

Retrieved 480 of 480 residues in 286.2 ms (Link to these results)