A0A096N234_PAPAN Loading...

Zic family member 1

AlphaFold DB (Q15915), UniProt , Accession A0A096N234, Species PAPAN (Papio anubis, Olive baboon), Gene ZIC1, Length 447 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.9Very low44.3Very low229 Ų229143 Ų143100%1.12882%0.821SS**  0138.40-73.7-60.2-167.700107.9
2L40Very low44.7Very low142 Ų142145.2 Ų145.274%0.74383%0.825SS**  trans31.5125.7159.5-79.866.3000119.4
3L42.5Very low44.5Very low153 Ų153139.1 Ų139.180%0.80181%0.814SS**  64.1134.776.8-66.1-175.3000112.5
4D40.9Very low44Very low151 Ų151139.1 Ų139.181%0.80782%0.816SS**  cis-156.9-168.66.3-164.911.4000111.1
5A46.8Very low43.9Very low98 Ų98138.7 Ų138.781%0.8182%0.816SS**  trans104.7104.1159.100000117.6
6G53.4Low43.7Very low68 Ų68137.5 Ų137.570%0.70181%0.811SS**  trans-132.7150.2162.300000110
7P47Very low43.5Very low116 Ų116142 Ų14275%0.75382%0.818SS**  trans-87.9149.1-142.531.7-37.3000116.8
8Q42.9Very low43.1Very low191 Ų191138.5 Ų138.589%0.89382%0.818SS**  trans-76.3151.3161.8-58.2173.710.400110.2
9Y45.2Very low43.2Very low213 Ų213136.8 Ų136.884%0.83582%0.822SS**  trans-118.7144.1166.2-93.1-95.4000110.1
10P46.3Very low42.9Very low108 Ų108135.5 Ų135.570%0.70182%0.819SS**PPolyproline II helixtrans-83.6152.2-166.233.2-36.5000113.7
11A42Very low42.8Very low104 Ų104140.7 Ų140.786%0.8682%0.824SS**PPolyproline II helixtrans-74.7129.8162.300000110
12I48.8Very low42.9Very low169 Ų169137.7 Ų137.787%0.86781%0.807SS**PPolyproline II helixtrans-92.1131.5171.4-63.2177.5000108.1
13G42Very low42.9Very low66 Ų66140.3 Ų140.368%0.6882%0.815SS**PPolyproline II helixtrans-81.4167.7-164.200000116
14V36.9Very low42.9Very low139 Ų139138.6 Ų138.684%0.84282%0.816SS**PPolyproline II helixtrans-73.9131.8174.1-179.10000110.3
15T43.6Very low42.6Very low133 Ų133136.4 Ų136.482%0.81682%0.819SS**  trans-130144.6158.454.50000110.2
16T40.3Very low42.4Very low120 Ų120135.2 Ų135.274%0.73682%0.816SS**  trans-102.4128-169.350.70000112.1
17F41Very low41.6Very low214 Ų214139.8 Ų139.894%0.93982%0.824SS**  trans-135131.1154.9-89-82.5000109.2
18G35.9Very low41.4Very low79 Ų79141.3 Ų141.381%0.81483%0.831SS**  trans-110157.3-173.300000113.2
19A44.6Very low41.2Very low107 Ų107136.7 Ų136.788%0.88483%0.826SS**  trans-14493.7168.700000109.4
20S36.5Very low40.6Very low110 Ų110135.1 Ų135.177%0.76983%0.826SS**  trans-75133.5-178.5-540000112
21R42.4Very low40.2Very low245 Ų245141.6 Ų141.693%0.92584%0.836SS**  trans-137.5118151.6-72.1-164.5178-161.7-0.6109.7
22H41.2Very low39.7Very low165 Ų165143.9 Ų143.976%0.76483%0.834SS**  trans-78.5145.9167.5-67.3-111.3000109.4
23H41.9Very low39.2Very low197 Ų197142.3 Ų142.391%0.91283%0.832SS**  trans-143.3150.2138.3-94.4-72.2000108.7
24S41.4Very low38.9Very low117 Ų117142.8 Ų142.882%0.81884%0.837SS**  trans-91.9164.2-159-530000114.1
25A35.7Very low38.8Very low106 Ų106145 Ų14588%0.87684%0.843SS**  trans-68.8161.617000000112.7
26G42.6Very low38.3Very low72 Ų72141.7 Ų141.774%0.74284%0.836SS**  trans-167.3116.3168.700000110.9
27D35.8Very low38.1Very low165 Ų165144.2 Ų144.288%0.88284%0.843SS**  trans-68.6139.6177.5-65.8-95.7000112.7
28V43.3Very low37.7Very low148 Ų148141.5 Ų141.590%0.89784%0.838SS**  trans-138.3139.6157.4-174.80000108.3
29A37.4Very low37.8Very low94 Ų94142.7 Ų142.778%0.77783%0.832SS**  trans-85.4160.5-16200000116.1
30E32.3Very low37.2Very low179 Ų179147.3 Ų147.384%0.83683%0.832SS**  trans-33137.7164-174.6-169.212300116.8
31R37.7Very low37.1Very low244 Ų244146.6 Ų146.692%0.92183%0.833SS**  trans-158.4143.4148-120.9170.1173.677.12112.4
32D32.5Very low36.8Very low152 Ų152142.7 Ų142.781%0.81383%0.831SS**  trans-92.3-173-169.3-150-56.8000113.2
33V38.3Very low36.3Very low137 Ų137138.2 Ų138.283%0.8383%0.828SS**  trans89.3111.9167.2-169.60000116.7
34G35.1Very low36.2Very low76 Ų76137.9 Ų137.978%0.78483%0.83SS**  trans169.586.7165.600000118.2
35L35.3Very low35.7Very low184 Ų184135.7 Ų135.796%0.96383%0.826SS**  trans-42.7149.2168-55.4160.4000114.5
36G33.5Very low35.8Very low65 Ų65134.9 Ų134.967%0.6782%0.819SS**  cis168.2-1424.200000113.4
37I36.3Very low35.4Very low173 Ų173141.3 Ų141.389%0.88783%0.827SS**  trans61.985.416959.9170000121.5
38N31Very low35.4Very low156 Ų156143 Ų14383%0.83483%0.826SS**  trans-68.3179.4134.5-80-61000110.2
39P40.1Very low35.2Very low105 Ų105143.8 Ų143.868%0.68282%0.824SS**  cis-141.2176.711.444-26.5000117.2
40F31.2Very low34.9Very low204 Ų204146.3 Ų146.390%0.89583%0.825SS**  -161.4101.5124.7-118.5-69.6000111.3
41A33.9Very low35Very low95 Ų95143.2 Ų143.279%0.78582%0.821SS**  trans-133.4117.1173.600000108.9
42D35.6Very low34.8Very low163 Ų163136.9 Ų136.987%0.87281%0.814SS**  trans-159.6152175-142.5-23.5000111.5
43G31.7Very low35.2Very low70 Ų70134.8 Ų134.872%0.72281%0.811SS**  trans93.125.716700000119.6G45G43-G45 PolarHBondContact O-N 2.95Å
44M38.6Very low35.2Very low191 Ų191135.9 Ų135.994%0.94181%0.806SS**  trans-87.187.2163-72-152.9-158.500111.9A46M44-A46 VanDerWaalsContact C-N 3.31Å; M44-A46 PolarHBondContact O-N 2.95Å
45G31.7Very low35.1Very low71 Ų71138.7 Ų138.773%0.73280%0.799SS**  trans-76.473.317100000112.9G43G43-G45 PolarHBondContact O-N 2.95Å
46A37.4Very low35.2Very low88 Ų88137 Ų13773%0.72779%0.79SS**  trans-89.1104.7175.200000110.8M44 K48M44-A46 VanDerWaalsContact C-N 3.31Å; M44-A46 PolarHBondContact O-N 2.95Å; A46-K48 PolarHBondContact O-N 2.99Å; A46-K48 VanDerWaalsContact O-N 3.08Å
47F34.3Very low35.3Very low207 Ų207139 Ų13991%0.90880%0.801SS**  trans-68.2107173.5-77.6-88.1000110.3
48K36.8Very low35.3Very low200 Ų200136.4 Ų136.487%0.8780%0.798SS**PPolyproline II helixtrans-87.7118.3-180-172.1178179.5-175.60108.8A46A46-K48 PolarHBondContact O-N 2.99Å; A46-K48 VanDerWaalsContact O-N 3.08Å
49L38.5Very low35.6Very low165 Ų165134.3 Ų134.386%0.86480%0.802SS**PPolyproline II helixtrans-63.6146.4170.9-68.5172.5000110P51L49-P51 WeakPolarHBondContact O-CD 3.27Å
50N30.8Very low35.6Very low147 Ų147133 Ų13379%0.78681%0.808SS**PPolyproline II helixtrans-98.1123.1-177.6179.922.4000111.2
51P34.6Very low35.8Very low115 Ų115132.5 Ų132.575%0.74781%0.808SS**  trans-124.1102.8169.534.6-17.3000112.7L49L49-P51 WeakPolarHBondContact O-CD 3.27Å
52S34.1Very low36Very low111 Ų111135.1 Ų135.178%0.77682%0.815SS**  trans-148.2142.3162.2-67.40000105.7
53S40.6Very low35.8Very low108 Ų108131.8 Ų131.876%0.75581%0.81SS**  cis-132.1157.424.354.20000111.9
54H38.9Very low35.9Very low159 Ų159138 Ų13874%0.73682%0.817SS**  34.9132.998.6-88.4-109.2000115.5
55E32.3Very low35.7Very low136 Ų136133.6 Ų133.664%0.63680%0.802SS**  cis-167.2-179.5-2.7-144.3-170.9141.900112.1
56L36.4Very low36.1Very low148 Ų148135 Ų13578%0.77580%0.8SS**  trans54.4110.5154.8-64.2167.7000120.8
57A37.1Very low36Very low107 Ų107139.8 Ų139.888%0.88481%0.807SS**  179.8158.411700000111.2
58S34.9Very low36.1Very low119 Ų119134.4 Ų134.483%0.83280%0.801SS**  trans-130.5164.4-17261.60000114.3
59A37.9Very low36.2Very low111 Ų111130.2 Ų130.292%0.91779%0.794SS**  trans73.9147.2171.200000117.9
60G39.8Very low35.9Very low78 Ų78126.1 Ų126.180%0.80479%0.791SS**  trans140.666.2-179.100000114.1
61Q36.3Very low36.1Very low193 Ų193129.2 Ų129.290%0.90279%0.794SS**  trans-83.6128.1168-64.1179.612.200110.3
62T36.6Very low36.1Very low151 Ų151128.2 Ų128.293%0.92680%0.795SS**  trans-165.2152.613824.10000109.2
63A32.8Very low35.9Very low93 Ų93127.9 Ų127.977%0.76980%0.799SS**  trans-99.7149-179.100000112.2
64F34.2Very low35.6Very low199 Ų199127.5 Ų127.587%0.87380%0.803SS**  trans-141.7169.2136.2-148.9-104.4000111.1
65T34.3Very low35.3Very low100 Ų100124.7 Ų124.761%0.61381%0.806SS**  trans-112.2-178.3-156.562.70000113.6
66S40.1Very low35.6Very low99 Ų99122.7 Ų122.769%0.69281%0.813SS**  trans76.8138.9171.478.60000116.2
67Q35.7Very low35.7Very low190 Ų190123.9 Ų123.989%0.88882%0.819SS**  cis-153.3142.8-5.9-123.7164.350.100111.5
68A36Very low35.7Very low94 Ų94122 Ų12278%0.77781%0.811SS**  trans-139.7153.9158.200000107.1
69P39.4Very low36Very low112 Ų112124 Ų12473%0.72781%0.806SS**  -147.5170110.338.6-24.3000114.6Y71P69-Y71 HydrophobicContact CB-CD1 4.35Å; P69-Y71 HydrophobicContact CB-CE1 4.24Å
70G31.6Very low36.1Very low78 Ų78125.8 Ų125.880%0.80480%0.796SS**  trans-144.3121.9162.800000111.4
71Y33.9Very low36.1Very low213 Ų213129.4 Ų129.484%0.83579%0.791SS**  trans-175.6166.817166.9-93.2000106.6P69P69-Y71 HydrophobicContact CB-CD1 4.35Å; P69-Y71 HydrophobicContact CB-CE1 4.24Å
72A34.3Very low36.4Very low93 Ų93128.2 Ų128.277%0.76979%0.786SS**  cis-154.7-179.6-28.700000106.7
73A30Very low36.5Very low104 Ų104126.2 Ų126.286%0.8678%0.775SS**  trans-87.2145.6-175.600000114.3
74A34.4Very low36.9Very low101 Ų101125.7 Ų125.784%0.83578%0.778SS**  trans-167.3122.8144.400000114.8
75A34.3Very low37Very low99 Ų99124.9 Ų124.982%0.81878%0.777SS**  trans38.6111.3136.200000124.2
76A36.9Very low37.2Very low94 Ų94127 Ų12778%0.77779%0.79SS**  105.7148.8107.200000123.8
77L39.8Very low36.7Very low173 Ų173125.3 Ų125.391%0.90679%0.788SS**  trans86.1134.2160.6-55.5-177000121.8
78G36.7Very low36.4Very low68 Ų68121.6 Ų121.670%0.70178%0.782SS**  trans82.3133.4159.400000119.2
79H40.7Very low36.2Very low160 Ų160126.9 Ų126.974%0.74178%0.784SS**  cis176.4136.2-33-11237.4000108.8
80H40.7Very low35.6Very low149 Ų149126.9 Ų126.969%0.6979%0.786SS**  trans59.8170.9175.5-55.4-73.1000115.3
81H38.8Very low35.7Very low154 Ų154127.7 Ų127.771%0.71378%0.78SS**  cis-148-179.5-35.7-108.8-39.5000107.1
82H42.2Very low35.5Very low169 Ų169121.2 Ų121.278%0.78277%0.771SS**  cis-145.9165.212.4-156.3-124.9000108.7
83P39.3Very low35.4Very low109 Ų109121 Ų12171%0.70877%0.768SS**  trans-101.7160-161.238.3-34000116.9
84G41.5Very low35.5Very low81 Ų81125.7 Ų125.784%0.83577%0.77SS**  trans-136.8141.7162.700000110.2
85H35.2Very low35.4Very low182 Ų182128.4 Ų128.484%0.84377%0.77SS**  trans-122.6114.7-155.5172.3-79.5000114.7
86V38.7Very low35.7Very low146 Ų146126.9 Ų126.989%0.88575%0.753SS**  trans-156.3116.2154.5-95.10000113.3
87G31.3Very low36.1Very low63 Ų63125.3 Ų125.365%0.64974%0.735SS**  83.428.3129.900000121.7Y89G87-Y89 PolarHBondContact O-N 3.46Å
88S27.8Very low36.1Very low111 Ų111127.1 Ų127.178%0.77673%0.729SS**  trans-75.5103.2172.8-170.20000112.8S90S88-S90 PolarHBondContact O-N 3.04Å
89Y32.4Very low36.1Very low205 Ų205130.1 Ų130.180%0.80473%0.729SS**  trans-88.375.1177.858.5-84.6000112.3G87 S91G87-Y89 PolarHBondContact O-N 3.46Å; Y89-S91 PolarHBondContact O-N 3.47Å
90S27.5Very low35.9Very low112 Ų112130.5 Ų130.578%0.78373%0.729SS**  trans-68.162.9173.9-68.30000113.4S88 A92S88-S90 PolarHBondContact O-N 3.04Å; S90-A92 PolarHBondContact O-N 2.63Å
91S33.7Very low36.1Very low96 Ų96128.2 Ų128.267%0.67172%0.722SS**  trans-74.1111.2167.460.20000109.7Y89 A93Y89-S91 PolarHBondContact O-N 3.47Å; S91-A93 PolarHBondContact O-N 3.15Å
92A28.2Very low36.2Very low77 Ų77130 Ų13064%0.63673%0.727SS**  trans-63.7103.3-179.400000111.1S90 F94S90-A92 PolarHBondContact O-N 2.63Å; A92-F94 PolarHBondContact O-N 2.9Å
93A33.4Very low36.1Very low87 Ų87132.6 Ų132.672%0.71973%0.73SS**  trans-71.998.3176.500000110.1S91 N95S91-A93 PolarHBondContact O-N 3.15Å; A93-N95 PolarHBondContact O-N 3.08Å
94F30.9Very low35.9Very low203 Ų203135.1 Ų135.189%0.8974%0.738SS**  trans-53.6105.6-179.5-31.2-79.5000110.4A92A92-F94 PolarHBondContact O-N 2.9Å
95N33.2Very low35.6Very low158 Ų158143.4 Ų143.485%0.84574%0.744SS**  trans-88.2143.5-164.1-133.6-24.3000111.7A93 T97A93-N95 PolarHBondContact O-N 3.08Å; N95-T97 PolarHBondContact O-N 3.05Å
96S39.9Very low35.5Very low67 Ų67138 Ų13847%0.46974%0.738SS.*  trans-74.1115.4-160.7-160.40000113.5R98S96-R98 PolarHBondContact O-N 2.82Å
97T45.6Very low35.5Very low62 Ų62141.4 Ų141.438%0.3874%0.741SS.*SBendtrans64.55.4145.9-28.70000117.8N95N95-T97 PolarHBondContact O-N 3.05Å
98R39.5Very low35.7Very low211 Ų211141.7 Ų141.780%0.79674%0.744SS**SBendtrans-81.1-35.2-176.7-87.7-173.558.7118.11.2115.1S96S96-R98 PolarHBondContact O-N 2.82Å
99D38.4Very low35.9Very low131 Ų131144.5 Ų144.570%0.70175%0.75SS**SBendtrans-113.1-5.6-162.6-61.1-92.5000114.8
100F36Very low36Very low167 Ų167139.7 Ų139.773%0.73275%0.753SS**SBendtrans-89.8-5.9-177.7-81.1-83.9000115.1F102F100-F102 PolarHBondContact O-N 2.83Å
101L44.6Very low36.3Very low102 Ų102139.2 Ų139.253%0.53476%0.756SS.*THydrogen-bonded Turntrans-77.61.8-174.6-66.7177.6000115.1
102F40.3Very low36.1Very low190 Ų190139.9 Ų139.983%0.83377%0.767SS**THydrogen-bonded Turntrans-123.55.3-170.3-71.4-75.5000115.5F100F100-F102 PolarHBondContact O-N 2.83Å
103R40Very low36.3Very low225 Ų225140.8 Ų140.885%0.84978%0.775SS**SBendtrans-126.8-11.5-165.6-118.3177.3177.5168.1-0.8119.3
104N36.2Very low36.4Very low161 Ų161141.8 Ų141.886%0.86178%0.783SS**  trans-110.896178.4-75.529.2000111.2
105R34.4Very low36.5Very low255 Ų255137.8 Ų137.896%0.96278%0.78SS**  trans-127.6110.9163-171.5176.9-168.1157.34.3107.7
106G32.8Very low36.8Very low69 Ų69134.6 Ų134.671%0.71178%0.775SS**  trans111.188.6-177.400000113.8
107F39.4Very low36.9Very low217 Ų217139.7 Ų139.795%0.95279%0.792SS**  trans-144.9133.6137.3-110.2-78.7000106.6
108G35.3Very low36.5Very low69 Ų69145.2 Ų145.271%0.71181%0.813SS**  trans-92.1178.2-161.500000115.6
109D31.9Very low36.3Very low170 Ų170140 Ų14091%0.90981%0.809SS**  trans-67.1142.5-174.3-51.8-98.2000114.1
110A34.8Very low36.1Very low104 Ų104140.8 Ų140.886%0.8681%0.812SS**  trans-145.788.3164.500000108.7
111A34.4Very low36.1Very low102 Ų102141.9 Ų141.984%0.84382%0.817SS**  trans-75.5135.9-176.100000112.1A113A111-A113 PolarHBondContact O-N 2.53Å
112A29.1Very low35.7Very low111 Ų111140.9 Ų140.992%0.91782%0.824SS**  trans-92.896175.500000111
113A33.2Very low35.6Very low96 Ų96136.5 Ų136.579%0.79382%0.822SS**  trans-153.790.9174.700000112.3A111A111-A113 PolarHBondContact O-N 2.53Å
114A34.7Very low35.6Very low108 Ų108131.1 Ų131.189%0.89382%0.819SS**  trans-162.4109.7163.900000111.6
115S31.9Very low35.9Very low118 Ų118128.3 Ų128.383%0.82582%0.818SS**  trans-153.4150.4160.257.20000108.8
116A39.9Very low36Very low91 Ų91120.2 Ų120.275%0.75281%0.814SS**  trans62.5151.7-159.900000114.6
117Q41.5Very low36.3Very low175 Ų175119.8 Ų119.882%0.81881%0.81SS**  cis-170.1167.5-37.9-122.8169.6-500107.6
118H37.9Very low36.4Very low177 Ų177120.2 Ų120.282%0.81981%0.812SS**  trans70.2108.7169.2-88-96.4000120.4
119S34.6Very low36.6Very low103 Ų103120.8 Ų120.872%0.7282%0.818SS**  trans-43.8155.7161.1-36.40000117
120L35.4Very low37Very low146 Ų146116.1 Ų116.176%0.76481%0.81SS**  175.4151.3105.8-92.3171.5000114
121F36.4Very low37.6Very low191 Ų191116.3 Ų116.384%0.83880%0.802SS**  trans61.1156.8170.3-60-75.4000119.6
122A36.2Very low38.1Very low81 Ų81120.1 Ų120.167%0.66980%0.803SS**  cis-173.4150.4-42.400000110.9
123A38.3Very low38.5Very low97 Ų97118 Ų11880%0.80279%0.791SS**  trans63.7162.2163.400000116.7
124S39.3Very low38.8Very low112 Ų112121.8 Ų121.878%0.78379%0.792SS**  cis-174157.5-19.446.30000109.1
125A41.9Very low38.6Very low102 Ų102121.5 Ų121.584%0.84378%0.779SS**  cis-173.1159.7-21.800000109.4
126G37.3Very low38.6Very low85 Ų85123 Ų12388%0.87678%0.779SS**  trans97154.417200000115.5
127G38.3Very low38.4Very low60 Ų60123.4 Ų123.462%0.61978%0.781SS**  cis166.9156.9-600000113.2
128F41.8Very low38.2Very low226 Ų226120.3 Ų120.399%0.99179%0.786SS**  trans66.1146.3-178.7-48.4-83.3000115.2
129G40.1Very low38.2Very low81 Ų81115.7 Ų115.784%0.83579%0.786SS**  cis156.9145.4-300000108.5
130G40.7Very low38.3Very low73 Ų73119.9 Ų119.975%0.75379%0.794SS**  cis-156.1-157.79.200000112.5
131P47.5Very low38.4Very low107 Ų107120.7 Ų120.770%0.69580%0.798SS**  trans-133.6-160.3-136.935.3-13.4000117.8
132H43.2Very low38.4Very low183 Ų183118.8 Ų118.885%0.84780%0.796SS**  trans92.2135.1170.4-46.4-71000117.3
133G37.4Very low38.5Very low66 Ų66123.7 Ų123.768%0.6880%0.803SS**  cis177.9169.8-7.500000114.5
134H39.5Very low38.7Very low175 Ų175125.1 Ų125.181%0.8180%0.803SS**  trans41.5110.1161.7-75.5-78.4000120.3
135T31.2Very low38.7Very low102 Ų102122.5 Ų122.563%0.62680%0.795SS**  76.9121.369.765.70000117.1
136D31.5Very low38.6Very low151 Ų151125.8 Ų125.881%0.80780%0.797SS**  trans73.8144.8145.3-55.6-28.3000123.7
137A37.2Very low38.6Very low98 Ų98127.5 Ų127.581%0.8178%0.782SS**  trans69.2118.2156.700000121.8
138A36.8Very low38.6Very low110 Ų110131.7 Ų131.791%0.90979%0.785SS**  trans27.8116.7145.100000121.3
139G38.3Very low38.5Very low81 Ų81127.6 Ų127.684%0.83577%0.769SS**  trans-162115.5161.800000113.4
140H36Very low38.2Very low191 Ų191128.4 Ų128.488%0.88477%0.768SS**  trans-90.7135.4174.5-73.6-96000112
141L38.2Very low38.1Very low163 Ų163130 Ų13085%0.85378%0.775SS**  trans-162.9147.6148.3-69.4-172.4000108.6
142L36.4Very low37.6Very low150 Ų150128.2 Ų128.279%0.78578%0.775SS**  cis-156.2174.8-31.9-123.7-177.7000110.1
143F37.3Very low37.2Very low185 Ų185129 Ų12981%0.81178%0.779SS**  trans-76.9-177.9-178-92.9-79.3000113.8
144P42.9Very low37Very low126 Ų126130.9 Ų130.982%0.81879%0.788SS**  cis-127.3169.922.339.3-21000116.1
145G39.3Very low36.6Very low58 Ų58128 Ų12860%0.59879%0.787SS**  cis177.4-162.66.500000107.7
146L39.1Very low37.3Very low170 Ų170128.4 Ų128.489%0.8979%0.792SS**  cis-163.1162.2-10.5-87.3174.5000104.3
147H39.2Very low37.5Very low122 Ų122128.9 Ų128.957%0.56579%0.794SS**  cis-165.7113.6-11.1152.583.5000108.3
148E38.1Very low37.4Very low147 Ų147130.2 Ų130.269%0.68779%0.792SS**  trans54.5169.5144.5-69.2164.762.100122.5
149Q38.3Very low37.6Very low140 Ų140131.4 Ų131.465%0.65479%0.788SS**  cis-117.9149.2-12.7-88100.434.300108.2
150A34.9Very low37.3Very low99 Ų99135.4 Ų135.482%0.81879%0.79SS**  55.2135.869.600000114.2
151A38.8Very low37.4Very low107 Ų107130.1 Ų130.188%0.88479%0.787SS**  cis-149-175.5-0.700000108.7
152G36.7Very low37.2Very low68 Ų68131 Ų13170%0.70179%0.787SS**  cis-175.8-179.45.800000112.6
153H33.4Very low37.2Very low200 Ų200133 Ų13393%0.92680%0.795SS**  trans-56.4139.5-168.1-49.9-98.2000118.1
154A33.7Very low36.9Very low106 Ų106134.4 Ų134.488%0.87679%0.794SS**  -170.9153.4129.600000111.9
155S31.6Very low36.4Very low113 Ų113135.8 Ų135.879%0.7979%0.794SS**  trans-165.4161173.7-165.20000109.4
156P46.2Very low36.2Very low111 Ų111136.1 Ų136.172%0.72180%0.798SS**  -120.4168-54.737.1-26.4000110.7
157N36.2Very low35.9Very low162 Ų162137.5 Ų137.587%0.86680%0.797SS**  trans-153.5165.4157.9-132.2-39.6000115
158V33.3Very low35.8Very low125 Ų125137 Ų13776%0.75881%0.807SS**  trans-89149.9-171.2173.90000111.7
159V41Very low35.9Very low136 Ų136133.6 Ų133.682%0.82481%0.812SS**  trans-176.6149.2133.1149.80000109.7
160N32Very low35.7Very low164 Ų164134.1 Ų134.188%0.87782%0.819SS**  trans-68.1148.2177.2-77.2-41.5000113.3
161G38.9Very low35.9Very low80 Ų80137.8 Ų137.883%0.82582%0.821SS**  trans-160.1118.6165.700000112.3
162Q33.2Very low35.7Very low183 Ų183142.1 Ų142.186%0.85582%0.816SS**  trans-96.7141172.4-64.4175.3-35.100110
163M38Very low36Very low192 Ų192144.9 Ų144.995%0.94682%0.822SS**  trans162.2168.9142.4-89.7161-151.900110.9
164R30.9Very low36.1Very low213 Ų213145.3 Ų145.380%0.80482%0.816SS**  -173.6108.7-60.4174.7177.5-177.8172.80.7108.8
165L32.4Very low36.9Very low155 Ų155144.1 Ų144.181%0.81280%0.799SS**  trans55.6122.4156.8-58.9172000121.4
166G35.5Very low37.3Very low66 Ų66147.1 Ų147.168%0.6880%0.8SS**  trans-166.7128.2152.300000107.7
167F32.4Very low36.9Very low199 Ų199149.3 Ų149.387%0.87380%0.801SS**  63.6122.660.6-67.8-58.1000112.3
168S36.9Very low36.9Very low111 Ų111152.3 Ų152.378%0.77680%0.802SS**  cis-153.51751.9-70.40000111.1
169G39.6Very low37.3Very low76 Ų76149.8 Ų149.878%0.78480%0.801SS**  trans168.9111169.100000114.7
170D34.7Very low36.9Very low150 Ų150151.6 Ų151.680%0.80280%0.8SS**  trans-92.8151.7-170.3-59-98000115
171M38.2Very low37.2Very low177 Ų177150.8 Ų150.887%0.87280%0.801SS**  179.3149.5117.2-83.8-118.683.300111.8
172Y35.3Very low36.8Very low197 Ų197152.5 Ų152.577%0.77380%0.795SS**  trans-138.4156176.8-109.7-74.6000108
173P42.3Very low37Very low127 Ų127149.5 Ų149.583%0.82580%0.795SS**  -143168.69628.3-7.5000117
174R36.6Very low36.7Very low209 Ų209146.1 Ų146.179%0.78979%0.787SS**  trans-102.7-166.7178.5-104.3-172.173.7-168.20.6109.4
175P49.2Very low36.8Very low81 Ų81145.8 Ų145.853%0.52679%0.786SS.*  cis-141.5-177.8-48.440.2-24.4000114.3
176E41.3Very low36.7Very low176 Ų176144 Ų14482%0.82279%0.786SS**  trans-159.5114.5135.7-108.3168.7155.300109.3
177Q37.6Very low36.6Very low157 Ų157146.9 Ų146.973%0.73478%0.782SS**  74.5101.891-72.7-155.738.700116.5
178Y36.5Very low36.6Very low225 Ų225146.5 Ų146.588%0.88278%0.782SS**  -170.4153110.6-130.9-96.7000114.3
179G41Very low36.4Very low71 Ų71152.5 Ų152.573%0.73279%0.79SS**  trans66.3105145.800000120.2
180Q32Very low36Very low174 Ų174153.4 Ų153.481%0.81379%0.79SS**  trans-117.9133.4171.1-177.3178.4-7.300110.8
181V38.2Very low36Very low148 Ų148150.5 Ų150.590%0.89779%0.786SS**  trans-134.9138.8168.5-173.50000109.2
182T31.7Very low36Very low115 Ų115147.4 Ų147.471%0.70678%0.78SS**  trans-105.8152-168.946.30000113.3
183S35.8Very low35.8Very low121 Ų121145.9 Ų145.985%0.84678%0.779SS**  trans-159.3116.7154-170.60000110.8
184P33.6Very low35.6Very low120 Ų120147.4 Ų147.478%0.77978%0.78SS**  trans-109.9116.5-176.635.9-27000113.5
185R31.6Very low35.4Very low206 Ų206145.6 Ų145.678%0.77778%0.78SS**  trans-160.7112.4145.7-141.2173.8165.994.10.6112.6E187R185-E187 HydrophobicContact CG-CG 4.11Å; R185-E187 IonicContact CZ-OE1 2.72Å; R185-E187 VanDerWaalsContact NE-CD 3.35Å; R185-E187 IonicContact NE-OE1 3.16Å; R185-E187 PolarHBondContact NE-OE1 2.66Å; R185-E187 IonicContact NH2-OE1 3.57Å; R185-E187 PolarHBondContact NH2-OE1 3.5Å
186S30.7Very low34.7Very low117 Ų117145.1 Ų145.182%0.81879%0.79SS**  trans-95.2108.4165.552.90000109.1
187E33.2Very low34.5Very low128 Ų128146.7 Ų146.760%0.59879%0.789SS**  trans-112.7140.1170.8-67.4-162.9151.700111.5R185 Y189R185-E187 HydrophobicContact CG-CG 4.11Å; R185-E187 IonicContact CZ-OE1 2.72Å; R185-E187 VanDerWaalsContact NE-CD 3.35Å; R185-E187 IonicContact NE-OE1 3.16Å; R185-E187 PolarHBondContact NE-OE1 2.66Å; R185-E187 IonicContact NH2-OE1 3.57Å; R185-E187 PolarHBondContact NH2-OE1 3.5Å; E187-Y189 PolarHBondContact O-N 2.96Å
188H32.2Very low34.5Very low190 Ų190142 Ų14288%0.8878%0.784SS**  trans-74.4107.9-169.7-68.4-106.3000111.7A190H188-A190 PolarHBondContact O-N 2.87Å
189Y33.4Very low34.8Very low238 Ų238138 Ų13893%0.93379%0.785SS**  trans-80.895.2160.1-101.3-92000110.1E187 A191E187-Y189 PolarHBondContact O-N 2.96Å; Y189-A191 PolarHBondContact O-N 3.03Å
190A30.4Very low35Very low94 Ų94141.9 Ų141.978%0.77779%0.786SS**PPolyproline II helixtrans-59.8123.8170.600000110.1H188H188-A190 PolarHBondContact O-N 2.87Å
191A35.7Very low35.5Very low89 Ų89139.6 Ų139.674%0.73678%0.779SS**PPolyproline II helixtrans-74.5133.4175.100000110Y189 Q193Y189-A191 PolarHBondContact O-N 3.03Å; A191-Q193 PolarHBondContact O-N 3.22Å
192P37.9Very low36.3Very low112 Ų112138.7 Ų138.773%0.72777%0.774SS**PPolyproline II helixtrans-66.7128.4175.227-33.2000110.3L194P192-L194 VanDerWaalsContact C-N 3.34Å; P192-L194 PolarHBondContact O-N 2.98Å
193Q31.1Very low37Very low165 Ų165139 Ų13977%0.77177%0.771SS**  trans-63.885178.6-74.5-84.824.100111.4A191 H195A191-Q193 PolarHBondContact O-N 3.22Å; Q193-H195 VanDerWaalsContact C-N 3.3Å; Q193-H195 PolarHBondContact O-N 2.97Å; Q193-H195 PolarHBondContact O-ND1 3.32Å
194L37.4Very low37.4Very low160 Ų160137.4 Ų137.484%0.83875%0.752SS**  trans-7384.7171.3-92.5168.2000110.3P192 G196P192-L194 VanDerWaalsContact C-N 3.34Å; P192-L194 PolarHBondContact O-N 2.98Å; L194-G196 PolarHBondContact O-N 2.86Å
195H32.2Very low38Very low171 Ų171135.8 Ų135.879%0.79275%0.748SS**THydrogen-bonded Turntrans-57.6127.9170.5-6764.8000109.6Q193Q193-H195 VanDerWaalsContact C-N 3.3Å; Q193-H195 PolarHBondContact O-N 2.97Å; Q193-H195 PolarHBondContact O-ND1 3.32Å
196G35.6Very low38.9Very low70 Ų70130 Ų13072%0.72274%0.744SS**THydrogen-bonded Turntrans150.1-23.3171.900000116.8L194L194-G196 PolarHBondContact O-N 2.86Å
197Y36.6Very low39.9Very low209 Ų209132.1 Ų132.182%0.8274%0.741SS**  trans-128.5116.3-178.9-67.5-81.6000111.6
198G37.9Very low40.5Very low60 Ų60130.5 Ų130.562%0.61973%0.733SS**  trans-70.2164.4177.400000113.5M200G198-M200 PolarHBondContact O-N 2.73Å; G198-M200 VanDerWaalsContact O-N 3.1Å
199P42.2Very low41.3Very low139 Ų139124.2 Ų124.290%0.90372%0.72SS**  trans-69.4107.6-175.928.5-34.5000111.3
200M44.8Very low42.3Very low153 Ų153116.5 Ų116.575%0.75471%0.705SS**  trans-72.2130.9172.8-68.3-172.5174.500110.6G198 V202G198-M200 PolarHBondContact O-N 2.73Å; G198-M200 VanDerWaalsContact O-N 3.1Å; M200-V202 PolarHBondContact O-N 3.49Å
201N43.9Very low43.2Very low126 Ų126114.5 Ų114.567%0.67469%0.694SS**  trans-59.4116.2-177.3-178.3-7.9000111.4N203N201-N203 PolarHBondContact O-N 2.99Å; N201-N203 WeakPolarHBondContact OD1-CB 3.13Å; N201-N203 PolarHBondContact OD1-N 3.31Å
202V53.5Low43.9Very low129 Ų129111.5 Ų111.578%0.78267%0.669SS**G310 helixtrans-72.8-14.1-174.2-136.60000113.4M200 M204M200-V202 PolarHBondContact O-N 3.49Å; V202-M204 VanDerWaalsContact C-N 3.29Å; V202-M204 PolarHBondContact O-N 3.15Å
203N48Very low44.2Very low121 Ų121111.3 Ų111.365%0.64766%0.657SS**G310 helixtrans-81.1-1.4-166.3-145.517.1000114.7N201 A205N201-N203 PolarHBondContact O-N 2.99Å; N201-N203 WeakPolarHBondContact OD1-CB 3.13Å; N201-N203 PolarHBondContact OD1-N 3.31Å; N203-A205 VanDerWaalsContact C-N 3.29Å; N203-A205 PolarHBondContact O-N 2.79Å
204M43.5Very low44.9Very low89 Ų89110 Ų11044%0.43865%0.649SS.*G310 helixtrans-71.2-20.2-174.1-140.567.617300113.9V202 A206 H208 Y216V202-M204 VanDerWaalsContact C-N 3.29Å; V202-M204 PolarHBondContact O-N 3.15Å; M204-A206 VanDerWaalsContact C-N 3.3Å; M204-A206 PolarHBondContact O-N 2.87Å; M204-H208 WeakPolarHBondContact O-CB 3.46Å; M204-Y216 HydrophobicContact CE-CE2 4.17Å
205A45.3Very low45.5Very low86 Ų86112.4 Ų112.471%0.71165%0.647SS**G310 helixtrans-69.7-21.6-17300000114.5N203N203-A205 VanDerWaalsContact C-N 3.29Å; N203-A205 PolarHBondContact O-N 2.79Å
206A50.4Low46Very low83 Ų83110.8 Ų110.869%0.68664%0.635SS**THydrogen-bonded Turntrans-78.7-41.2-175.900000113.5M204M204-A206 VanDerWaalsContact C-N 3.3Å; M204-A206 PolarHBondContact O-N 2.87Å
207H51.7Low46.5Very low163 Ų163112.6 Ų112.676%0.75563%0.626SS**THydrogen-bonded Turntrans-91.9-14.6-176.6-71.6-83.5000113.9
208H47.3Very low47.1Very low93 Ų93113.2 Ų113.243%0.43163%0.626SS.*SBendtrans-13477.9-166.2-72.9-46.6000110.2M204 A212M204-H208 WeakPolarHBondContact O-CB 3.46Å; H208-A212 HydrophobicContact CB-CB 3.62Å
209G48.8Very low47.3Very low58 Ų58115.5 Ų115.560%0.59862%0.621SS**  trans-50.7153.3-178.500000113.8G211 A212G209-G211 VanDerWaalsContact C-N 3.27Å; G209-G211 PolarHBondContact O-N 3.14Å; G209-A212 PolarHBondContact O-N 2.86Å
210A54.1Low47.3Very low76 Ų76113.7 Ų113.763%0.62861%0.61SS**THydrogen-bonded Turntrans-30.6-43.6-156.600000118.5A212 F213 F214A210-A212 PolarHBondContact O-N 3.01Å; A210-F213 PolarHBondContact O-N 3.45Å; A210-F214 VanDerWaalsContact O-CD2 3.24Å; A210-F214 WeakPolarHBondContact O-CD2 3.45Å
211G49Very low47.5Very low52 Ų52112.9 Ų112.954%0.53661%0.607SS.*Hα-helixtrans-57.9-26176.500000115.1G209 F214 R215G209-G211 VanDerWaalsContact C-N 3.27Å; G209-G211 PolarHBondContact O-N 3.14Å; G211-F214 PolarHBondContact O-N 3.24Å; G211-R215 PolarHBondContact O-N 3.46Å; G211-R215 VanDerWaalsContact O-N 3.08Å
212A50.2Low47.7Very low27 Ų27115.6 Ų115.622%0.22361%0.612CS.*Hα-helixtrans-82.1-29.1-179.500000113.5H208 G209 A210 F214 R215 Y216H208-A212 HydrophobicContact CB-CB 3.62Å; G209-A212 PolarHBondContact O-N 2.86Å; A210-A212 PolarHBondContact O-N 3.01Å; A212-F214 VanDerWaalsContact C-N 3.25Å; A212-F214 PolarHBondContact O-N 2.92Å; A212-R215 PolarHBondContact O-N 3.16Å; A212-R215 VanDerWaalsContact O-N 3.11Å; A212-Y216 PolarHBondContact O-N 3.19Å
213F43.5Very low47.8Very low107 Ų107116.2 Ų116.247%0.46961%0.607SS.*Hα-helixtrans-57.5-42.4164.6177.3-97.5000110.5A210 Y216 M217A210-F213 PolarHBondContact O-N 3.45Å; F213-Y216 PolarHBondContact O-N 2.81Å; F213-M217 HydrophobicContact CD1-CG 4.28Å; F213-M217 HydrophobicContact CD2-CG 4.31Å; F213-M217 HydrophobicContact CE1-CG 3.95Å; F213-M217 HydrophobicContact CE2-CG 3.99Å; F213-M217 HydrophobicContact CG-CG 4.45Å; F213-M217 HydrophobicContact CZ-CE 4.44Å; F213-M217 HydrophobicContact CZ-CG 3.8Å; F213-M217 HydrophobicContact CZ-SD 4.42Å; F213-M217 WeakPolarHBondContact O-CB 3.43Å; F213-M217 VanDerWaalsContact O-CG 3.31Å; F213-M217 WeakPolarHBondContact O-CG 3.24Å; F213-M217 PolarHBondContact O-N 2.67Å
214F47.6Very low48.7Very low138 Ų138116.7 Ų116.761%0.60561%0.605SS**Hα-helixtrans-67-32.9173.3-67.4-73.2000113.5A210 G211 A212 R218A210-F214 VanDerWaalsContact O-CD2 3.24Å; A210-F214 WeakPolarHBondContact O-CD2 3.45Å; G211-F214 PolarHBondContact O-N 3.24Å; A212-F214 VanDerWaalsContact C-N 3.25Å; A212-F214 PolarHBondContact O-N 2.92Å; F214-R218 WeakPolarHBondContact O-CB 3.5Å; F214-R218 PolarHBondContact O-N 3.34Å; F214-R218 VanDerWaalsContact O-N 3.15Å
215R48.9Very low50.2Low210 Ų210113 Ų11379%0.79259%0.587SS**Hα-helixtrans-64.3-44.8173.2-82.5-178.6159.7160.4-5.7112.1G211 A212 R218G211-R215 PolarHBondContact O-N 3.46Å; G211-R215 VanDerWaalsContact O-N 3.08Å; A212-R215 PolarHBondContact O-N 3.16Å; A212-R215 VanDerWaalsContact O-N 3.11Å; R215-R218 PolarHBondContact O-N 2.92Å
216Y43.1Very low51.8Low138 Ų138112.5 Ų112.554%0.54157%0.572SS.*Hα-helixtrans-69.8-44.8178.2-113.4-81.9000112.2M204 A212 F213 R218 Q219M204-Y216 HydrophobicContact CE-CE2 4.17Å; A212-Y216 PolarHBondContact O-N 3.19Å; F213-Y216 PolarHBondContact O-N 2.81Å; Y216-R218 PolarHBondContact O-N 3.17Å; Y216-R218 VanDerWaalsContact O-N 3.13Å; Y216-Q219 VanDerWaalsContact O-CB 3.3Å; Y216-Q219 WeakPolarHBondContact O-CB 3.34Å; Y216-Q219 WeakPolarHBondContact O-CG 3.14Å; Y216-Q219 PolarHBondContact O-N 3.31Å
217M46.2Very low53.3Low107 Ų107108.5 Ų108.553%0.52754%0.539SS..THydrogen-bonded Turntrans-72.1-2.2178.2-65.4-69.2-73.800114.2F213F213-M217 HydrophobicContact CD1-CG 4.28Å; F213-M217 HydrophobicContact CD2-CG 4.31Å; F213-M217 HydrophobicContact CE1-CG 3.95Å; F213-M217 HydrophobicContact CE2-CG 3.99Å; F213-M217 HydrophobicContact CG-CG 4.45Å; F213-M217 HydrophobicContact CZ-CE 4.44Å; F213-M217 HydrophobicContact CZ-CG 3.8Å; F213-M217 HydrophobicContact CZ-SD 4.42Å; F213-M217 WeakPolarHBondContact O-CB 3.43Å; F213-M217 VanDerWaalsContact O-CG 3.31Å; F213-M217 WeakPolarHBondContact O-CG 3.24Å; F213-M217 PolarHBondContact O-N 2.67Å
218R49.1Very low54.6Low222 Ų222103.4 Ų103.484%0.83852%0.515SS*.THydrogen-bonded Turntrans-105.14.8170.7-153.5-174.9-156.9-169.76.4112.5F214 R215 Y216F214-R218 WeakPolarHBondContact O-CB 3.5Å; F214-R218 PolarHBondContact O-N 3.34Å; F214-R218 VanDerWaalsContact O-N 3.15Å; R215-R218 PolarHBondContact O-N 2.92Å; Y216-R218 PolarHBondContact O-N 3.17Å; Y216-R218 VanDerWaalsContact O-N 3.13Å
219Q41.6Very low56.1Low109 Ų10999 Ų9951%0.50949%0.494SS..SBendtrans-60.5131.7159.4-68.8177.3-13.200107.8Y216 I221Y216-Q219 VanDerWaalsContact O-CB 3.3Å; Y216-Q219 WeakPolarHBondContact O-CB 3.34Å; Y216-Q219 WeakPolarHBondContact O-CG 3.14Å; Y216-Q219 PolarHBondContact O-N 3.31Å; Q219-I221 PolarHBondContact O-N 3.03Å; Q219-I221 VanDerWaalsContact O-N 3.07Å
220P43.6Very low57.3Low101 Ų101100.1 Ų100.166%0.65649%0.485SS*.  trans-69.4112.9-175.927.2-33.4000109.8K222P220-K222 VanDerWaalsContact C-N 3.31Å; P220-K222 HydrophobicContact CB-CG 4.36Å; P220-K222 HydrophobicContact CG-CG 4.45Å; P220-K222 PolarHBondContact O-N 2.97Å
221I47.6Very low57.8Low136 Ų13699.8 Ų99.870%0.69747%0.471SS*.  trans-58108.9142-49.8178.2000103.8Q219 Q223Q219-I221 PolarHBondContact O-N 3.03Å; Q219-I221 VanDerWaalsContact O-N 3.07Å; I221-Q223 HydrophobicContact CG2-CG 3.95Å; I221-Q223 PolarHBondContact O-N 2.89Å
222K49.1Very low58.4Low182 Ų182101.3 Ų101.379%0.79147%0.471SS*.  trans-73.457.4-173.4-65.8-172.7178.8-175.50111.9P220 E224P220-K222 VanDerWaalsContact C-N 3.31Å; P220-K222 HydrophobicContact CB-CG 4.36Å; P220-K222 HydrophobicContact CG-CG 4.45Å; P220-K222 PolarHBondContact O-N 2.97Å; K222-E224 PolarHBondContact O-N 2.8Å
223Q54.8Low58.7Low143 Ų143108.1 Ų108.167%0.66850%0.499SS*.  trans-81.592.6163.3-58.5-160.7-96.200106.7I221 L225I221-Q223 HydrophobicContact CG2-CG 3.95Å; I221-Q223 PolarHBondContact O-N 2.89Å; Q223-L225 PolarHBondContact O-N 3.13Å
224E67.1Low58.8Low131 Ų131107.8 Ų107.861%0.61250%0.499SS*.  trans-58.5122.4174.7-64.5-178.7-175.700108.9K222 I226 T245K222-E224 PolarHBondContact O-N 2.8Å; E224-I226 VanDerWaalsContact C-N 3.29Å; E224-I226 PolarHBondContact O-N 3.24Å; E224-T245 HydrophobicContact CB-CG2 4.23Å
225L75.1Confident59Low10 Ų10110 Ų1105%0.05252%0.516CS..  trans-82.281.9-173.8-64.3169.5000108.8Q223 C227 F246 M249 L252 T297 E299Q223-L225 PolarHBondContact O-N 3.13Å; L225-C227 PolarHBondContact O-N 2.95Å; L225-F246 HydrophobicContact CB-CB 4.16Å; L225-F246 WeakPolarHBondContact CB-O 3.21Å; L225-F246 PolarHBondContact N-O 3.22Å; L225-F246 WeakPolarHBondContact O-CD2 3.4Å; L225-F246 PolarHBondContact O-N 3.38Å; L225-F246 VanDerWaalsContact O-N 3.1Å; L225-M249 HydrophobicContact CD1-CB 4.32Å; L225-M249 HydrophobicContact CD2-CE 4.42Å; L225-L252 HydrophobicContact CB-CD2 4.29Å; L225-T297 HydrophobicContact CD2-CG2 4.1Å; L225-E299 HydrophobicContact CD2-CG 4Å
226I78.4Confident59.2Low76 Ų76104.8 Ų104.839%0.3952%0.517SS..  trans-66.2119.5176.9-59.1156.1000108.7E224 K228 T245 W273E224-I226 VanDerWaalsContact C-N 3.29Å; E224-I226 PolarHBondContact O-N 3.24Å; I226-K228 HydrophobicContact CG2-CG 3.95Å; I226-T245 HydrophobicContact CG1-CG2 3.78Å; I226-W273 WeakPolarHBondContact O-CH2 3.12Å; I226-W273 VanDerWaalsContact O-CZ2 3.3Å; I226-W273 WeakPolarHBondContact O-CZ2 3.25Å
227C81.9Confident59.4Low0 Ų0102.6 Ų102.60%052%0.515CS..  trans-67.2131.6158.7-170.40000108.2L225 C242 N243 K244 F246 L252 H255 V256L225-C227 PolarHBondContact O-N 2.95Å; C227-C242 CarbonylContact C-O 3.55Å; C227-C242 CarbonylContact O-C 3.42Å; C227-N243 VanDerWaalsContact O-CA 3.3Å; C227-N243 WeakPolarHBondContact O-CA 3.45Å; C227-K244 PolarHBondContact N-O 3.05Å; C227-F246 HydrophobicContact CB-CE2 4.09Å; C227-L252 HydrophobicContact CB-CD1 3.57Å; C227-H255 PolarHBondContact SG-NE2 2.89Å; C227-V256 VanDerWaalsContact SG-CG2 3.56Å
228K79.8Confident59.4Low56 Ų56103 Ų10324%0.24353%0.526CS..  trans-125.157.8169.6-62.3175.4141.2-130.20109.9I226 C242 W273 E274 E275I226-K228 HydrophobicContact CG2-CG 3.95Å; K228-C242 WeakPolarHBondContact CA-O 3.5Å; K228-W273 HydrophobicContact CB-CD2 4.48Å; K228-W273 HydrophobicContact CB-CZ2 4.17Å; K228-W273 WeakPolarHBondContact O-CA 3.4Å; K228-E274 HydrophobicContact CB-CB 4.42Å; K228-E274 HydrophobicContact CB-CG 4.11Å; K228-E274 WeakPolarHBondContact CD-OE2 3.26Å; K228-E274 WeakPolarHBondContact CE-OE2 3.37Å; K228-E274 IonicContact NZ-OE2 2.67Å; K228-E274 PolarHBondContact NZ-OE2 3.21Å; K228-E274 PolarHBondContact O-N 2.84Å; K228-E275 IonicContact NZ-OE1 3.94Å; K228-E275 PolarHBondContact NZ-OE1 3.3Å
229W77.7Confident59.5Low1 Ų1101.6 Ų101.60%0.00453%0.526CS..BIsolated β-bridgetrans-92.4127.2-177.8-163.9-78.6000110.6S241 C242 V256 H260 V261 I270 C271 F272 W273 L289W229-S241 CarbonylContact O-C 3.51Å; W229-S241 VanDerWaalsContact O-CA 3.24Å; W229-S241 WeakPolarHBondContact O-CA 3.39Å; W229-C242 HydrophobicContact CB-CB 4.44Å; W229-C242 PolarHBondContact O-N 3.48Å; W229-V256 HydrophobicContact CD2-CG1 4.37Å; W229-V256 HydrophobicContact CE3-CG1 3.61Å; W229-V256 HydrophobicContact CE3-CG2 4.41Å; W229-V256 HydrophobicContact CH2-CG1 3.92Å; W229-V256 HydrophobicContact CZ3-CG1 3.35Å; W229-H260 VanDerWaalsContact CB-CD2 3.5Å; W229-H260 WeakPolarHBondContact CB-CD2 3.47Å; W229-H260 AromaticContact CD1-CD2 3.96Å; W229-H260 AromaticContact CD1-CG 3.58Å; W229-H260 AromaticContact CD1-ND1 3.98Å; W229-H260 HydrophobicContact CD2-CB 3.87Å; W229-H260 HydrophobicContact CG-CB 3.82Å; W229-H260 AromaticContact CG-CD2 3.64Å; W229-H260 AromaticContact CG-CG 3.7Å; W229-H260 HydrophobicContact CZ2-CB 4.25Å; W229-V261 HydrophobicContact CH2-CG2 3.63Å; W229-V261 HydrophobicContact CZ2-CG2 3.88Å; W229-V261 HydrophobicContact CZ3-CG2 4.49Å; W229-I270 VanDerWaalsContact CH2-O 3.23Å; W229-I270 WeakPolarHBondContact CH2-O 3.48Å; W229-C271 HydrophobicContact CH2-CB 4.43Å; W229-F272 HydrophobicContact CZ2-CB 4.36Å; W229-F272 HydrophobicContact CZ2-CD2 4.01Å; W229-F272 AromaticContact NE1-CD2 3.86Å; W229-W273 HydrophobicContact CE3-CE3 4.04Å; W229-L289 HydrophobicContact CH2-CD1 4.4Å; W229-L289 HydrophobicContact CH2-CD2 4.26Å
230I75.6Confident60.4Low80 Ų80103.5 Ų103.541%0.4153%0.532SS..BIsolated β-bridgetrans-79120.8172.1-58.9174.3000108.2P232 F272 E274I230-P232 WeakPolarHBondContact O-CD 3.3Å; I230-F272 HydrophobicContact CB-CB 4.49Å; I230-F272 WeakPolarHBondContact CB-O 3.25Å; I230-F272 PolarHBondContact N-O 3.43Å; I230-F272 WeakPolarHBondContact O-CB 3.18Å; I230-E274 HydrophobicContact CD1-CG 4.2Å; I230-E274 HydrophobicContact CG1-CG 3.87Å
231E63.4Low61.7Low70 Ų70100.3 Ų100.333%0.32751%0.512SS..PPolyproline II helixtrans-72.6119.9174-69.5170.517100109E233 K240 H260E231-E233 PolarHBondContact O-N 3.1Å; E231-K240 PolarHBondContact N-O 3Å; E231-H260 IonicContact OE1-CE1 3.91Å; E231-H260 IonicContact OE1-NE2 2.53Å; E231-H260 PolarHBondContact OE1-NE2 3.21Å
232P61.5Low63.2Low83 Ų8394.2 Ų94.254%0.53948%0.482SS..THydrogen-bonded Turntrans-745.1-173.830.9-36.4000113.9I230 Q234 F272I230-P232 WeakPolarHBondContact O-CD 3.3Å; P232-Q234 PolarHBondContact O-N 3.34Å; P232-F272 HydrophobicContact CB-CE2 4.3Å; P232-F272 HydrophobicContact CB-CZ 4.33Å; P232-F272 HydrophobicContact CG-CD2 4.37Å; P232-F272 HydrophobicContact CG-CE2 4.14Å
233E56.2Low64.7Low171 Ų17190 Ų9080%0.79947%0.468SS*.THydrogen-bonded Turntrans-94.916.2-167.1-157162.2-131.500113.7E231E231-E233 PolarHBondContact O-N 3.1Å
234Q46.2Very low66Low100 Ų10087.9 Ų87.947%0.46746%0.457SS..  trans-132.857.5177-65.9-68-7300112.3P232 A236 N237P232-Q234 PolarHBondContact O-N 3.34Å; Q234-A236 PolarHBondContact O-N 2.9Å; Q234-N237 HydrophobicContact CB-CB 4.38Å; Q234-N237 VanDerWaalsContact CB-O 3.27Å; Q234-N237 WeakPolarHBondContact CB-O 3.36Å; Q234-N237 CarbonylContact O-C 3.6Å; Q234-N237 PolarHBondContact O-N 3.33Å
235L52.1Low66.6Low184 Ų18485.4 Ų85.496%0.96345%0.45SS*.THydrogen-bonded Turntrans-61.2-4.7171.6-166.758.1000113.6
236A52.3Low66.9Low100 Ų10086.7 Ų86.783%0.82646%0.456SS*.THydrogen-bonded Turntrans-113.9-3.7171.600000114.8Q234Q234-A236 PolarHBondContact O-N 2.9Å
237N48.2Very low66.7Low92 Ų9287.9 Ų87.949%0.49247%0.471SS..  trans-155.581.3-175.8-163.3-5.6000114Q234 K239Q234-N237 HydrophobicContact CB-CB 4.38Å; Q234-N237 VanDerWaalsContact CB-O 3.27Å; Q234-N237 WeakPolarHBondContact CB-O 3.36Å; Q234-N237 CarbonylContact O-C 3.6Å; Q234-N237 PolarHBondContact O-N 3.33Å; N237-K239 PolarHBondContact O-N 2.92Å
238P46.2Very low66.4Low117 Ų11790.6 Ų90.676%0.7649%0.488SS*.  trans-78.388.3-171.231.6-35.7000112.5
239K50.6Low66.3Low192 Ų19288.7 Ų88.784%0.83548%0.48SS*.  trans-158.510.6175.7-112.7142.9-160.9173.90119.2N237N237-K239 PolarHBondContact O-N 2.92Å
240K61.7Low66.1Low148 Ų14894.1 Ų94.164%0.64351%0.505SS*.  trans-115.4100173.4-67.9-173.8-178.5178.90111.2E231E231-K240 PolarHBondContact N-O 3Å
241S71.3Confident66.4Low34 Ų3493.4 Ų93.424%0.23850%0.5CS..BIsolated β-bridgetrans-94.3141154.351.10000109.4W229 N243 E274W229-S241 CarbonylContact O-C 3.51Å; W229-S241 VanDerWaalsContact O-CA 3.24Å; W229-S241 WeakPolarHBondContact O-CA 3.39Å; S241-N243 PolarHBondContact O-ND2 3.23Å; S241-N243 PolarHBondContact OG-ND2 3.22Å; S241-N243 VanDerWaalsContact OG-ND2 3.15Å; S241-E274 WeakPolarHBondContact CB-OE1 3.27Å; S241-E274 PolarHBondContact OG-OE1 3.2Å
242C78.3Confident67.4Low9 Ų990.1 Ų90.16%0.06148%0.484CS..  trans-61.5139.9163.7-177.30000108.9C227 K228 W229 H255 H260C227-C242 CarbonylContact C-O 3.55Å; C227-C242 CarbonylContact O-C 3.42Å; K228-C242 WeakPolarHBondContact CA-O 3.5Å; W229-C242 HydrophobicContact CB-CB 4.44Å; W229-C242 PolarHBondContact O-N 3.48Å; C242-H255 PolarHBondContact SG-CE1 2.88Å; C242-H255 PolarHBondContact SG-NE2 3.27Å; C242-H260 VanDerWaalsContact CB-NE2 3.34Å; C242-H260 WeakPolarHBondContact CB-NE2 3.4Å
243N79.8Confident68.1Low94 Ų9486.7 Ų86.750%0.50346%0.462SS..  trans-133.423.6-179.6-79.5-89.9000111.4C227 S241C227-N243 VanDerWaalsContact O-CA 3.3Å; C227-N243 WeakPolarHBondContact O-CA 3.45Å; S241-N243 PolarHBondContact O-ND2 3.23Å; S241-N243 PolarHBondContact OG-ND2 3.22Å; S241-N243 VanDerWaalsContact OG-ND2 3.15Å
244K82.1Confident69.3Low98 Ų9881.1 Ų81.143%0.42644%0.44SS..  trans-67.1131.8179.7-65.5179.9-168.2-177.60110C227 F246 E259C227-K244 PolarHBondContact N-O 3.05Å; K244-F246 HydrophobicContact CB-CE2 3.63Å; K244-F246 HydrophobicContact CB-CZ 3.52Å; K244-F246 HydrophobicContact CD-CZ 4.32Å; K244-F246 WeakPolarHBondContact O-CD2 3.12Å; K244-F246 VanDerWaalsContact O-CE2 3.25Å; K244-F246 WeakPolarHBondContact O-CE2 3.49Å; K244-E259 IonicContact NZ-OE1 3.5Å; K244-E259 PolarHBondContact NZ-OE1 3.34Å; K244-E259 IonicContact NZ-OE2 2.66Å; K244-E259 PolarHBondContact NZ-OE2 2.99Å
245T80.3Confident71.1Confident78 Ų7877 Ų7748%0.47942%0.42SS..  trans-93147176.650.30000111.5E224 I226E224-T245 HydrophobicContact CB-CG2 4.23Å; I226-T245 HydrophobicContact CG1-CG2 3.78Å
246F80.7Confident72.4Confident38 Ų3868.2 Ų68.217%0.16737%0.374CS..  trans-134.6149.1-178.6-61.5-72.6000112L225 C227 K244 E251 L252 H255L225-F246 HydrophobicContact CB-CB 4.16Å; L225-F246 WeakPolarHBondContact CB-O 3.21Å; L225-F246 PolarHBondContact N-O 3.22Å; L225-F246 WeakPolarHBondContact O-CD2 3.4Å; L225-F246 PolarHBondContact O-N 3.38Å; L225-F246 VanDerWaalsContact O-N 3.1Å; C227-F246 HydrophobicContact CB-CE2 4.09Å; K244-F246 HydrophobicContact CB-CE2 3.63Å; K244-F246 HydrophobicContact CB-CZ 3.52Å; K244-F246 HydrophobicContact CD-CZ 4.32Å; K244-F246 WeakPolarHBondContact O-CD2 3.12Å; K244-F246 VanDerWaalsContact O-CE2 3.25Å; K244-F246 WeakPolarHBondContact O-CE2 3.49Å; F246-E251 HydrophobicContact CB-CB 3.97Å; F246-E251 HydrophobicContact CD1-CB 3.57Å; F246-E251 HydrophobicContact CE1-CB 4.46Å; F246-E251 HydrophobicContact CG-CB 4.04Å; F246-L252 HydrophobicContact CB-CB 4.09Å; F246-L252 HydrophobicContact CD2-CB 3.82Å; F246-L252 HydrophobicContact CD2-CD1 3.68Å; F246-L252 HydrophobicContact CD2-CG 4.36Å; F246-L252 HydrophobicContact CE2-CD1 3.98Å; F246-L252 HydrophobicContact CG-CB 4.08Å; F246-H255 HydrophobicContact CE1-CB 3.85Å; F246-H255 HydrophobicContact CE2-CB 3.99Å; F246-H255 AromaticContact CE2-CD2 3.24Å; F246-H255 WeakPolarHBondContact CE2-CD2 3.29Å; F246-H255 AromaticContact CE2-CG 3.71Å; F246-H255 HydrophobicContact CZ-CB 3.39Å; F246-H255 AromaticContact CZ-CD2 3.33Å; F246-H255 WeakPolarHBondContact CZ-CD2 3.47Å; F246-H255 AromaticContact CZ-CG 3.27Å
247S75.5Confident73.6Confident101 Ų10163.9 Ų63.971%0.70634%0.337SS*.SBendtrans-89-24.6-179.377.30000112.4E251S247-E251 WeakPolarHBondContact CA-OE2 3.39Å; S247-E251 WeakPolarHBondContact CB-OE2 3.39Å; S247-E251 PolarHBondContact N-OE2 3.06Å; S247-E251 VanDerWaalsContact OG-CD 3.31Å; S247-E251 PolarHBondContact OG-OE1 2.86Å; S247-E251 PolarHBondContact OG-OE2 2.93Å
248T76.3Confident75Confident57 Ų5764.2 Ų64.235%0.3534%0.343SS..SBendtrans-133.5152.5172.578.60000113.5H250 E251 L252T248-H250 PolarHBondContact O-N 3.42Å; T248-H250 VanDerWaalsContact O-N 3.09Å; T248-H250 PolarHBondContact OG1-N 2.81Å; T248-E251 VanDerWaalsContact CB-OE1 3.27Å; T248-E251 WeakPolarHBondContact CB-OE1 3.41Å; T248-E251 WeakPolarHBondContact CG2-OE1 3.4Å; T248-E251 PolarHBondContact N-OE1 3.32Å; T248-E251 PolarHBondContact N-OE2 3.49Å; T248-E251 PolarHBondContact O-N 2.95Å; T248-E251 VanDerWaalsContact OG1-CD 3.24Å; T248-E251 PolarHBondContact OG1-N 3.21Å; T248-E251 PolarHBondContact OG1-OE1 3.05Å; T248-L252 PolarHBondContact O-N 2.67Å; T248-L252 VanDerWaalsContact O-N 3.16Å
249M75.6Confident76.4Confident16 Ų1663.4 Ų63.48%0.07933%0.329CS..Hα-helixtrans-58.4-16.5169.3178.355.151.800113.4L225 L252 V253 R294 T297 E299L225-M249 HydrophobicContact CD1-CB 4.32Å; L225-M249 HydrophobicContact CD2-CE 4.42Å; M249-L252 HydrophobicContact CE-CD2 4.03Å; M249-L252 HydrophobicContact SD-CD2 4.49Å; M249-V253 HydrophobicContact CG-CG2 4.44Å; M249-V253 VanDerWaalsContact O-CB 3.24Å; M249-V253 WeakPolarHBondContact O-CB 3.28Å; M249-V253 WeakPolarHBondContact O-CG2 3.37Å; M249-V253 PolarHBondContact O-N 2.93Å; M249-V253 HydrophobicContact SD-CG2 3.7Å; M249-R294 HydrophobicContact CE-CG 4.11Å; M249-R294 HydrophobicContact SD-CG 3.91Å; M249-T297 HydrophobicContact CE-CG2 3.98Å; M249-T297 VanDerWaalsContact CE-OG1 3.26Å; M249-T297 WeakPolarHBondContact CE-OG1 3.26Å; M249-E299 VanDerWaalsContact CB-OE2 3.22Å; M249-E299 WeakPolarHBondContact CB-OE2 3.41Å; M249-E299 HydrophobicContact CE-CB 4.01Å; M249-E299 HydrophobicContact CE-CG 3.9Å; M249-E299 WeakPolarHBondContact CG-OE2 3.23Å
250H75.3Confident77.6Confident114 Ų11455.7 Ų55.753%0.52830%0.296SS..Hα-helixtrans-72.9-48.4171.7-171.934.8000110.9T248 V253 T254T248-H250 PolarHBondContact O-N 3.42Å; T248-H250 VanDerWaalsContact O-N 3.09Å; T248-H250 PolarHBondContact OG1-N 2.81Å; H250-V253 PolarHBondContact O-N 3.14Å; H250-T254 PolarHBondContact O-N 3.04Å; H250-T254 PolarHBondContact O-OG1 3.38Å
251E81.5Confident78Confident66 Ų6649 Ų4931%0.30827%0.267SS..Hα-helixtrans-61.6-46.1177.8-66.3130.1-124.900112.3F246 S247 T248 V253 T254 H255F246-E251 HydrophobicContact CB-CB 3.97Å; F246-E251 HydrophobicContact CD1-CB 3.57Å; F246-E251 HydrophobicContact CE1-CB 4.46Å; F246-E251 HydrophobicContact CG-CB 4.04Å; S247-E251 WeakPolarHBondContact CA-OE2 3.39Å; S247-E251 WeakPolarHBondContact CB-OE2 3.39Å; S247-E251 PolarHBondContact N-OE2 3.06Å; S247-E251 VanDerWaalsContact OG-CD 3.31Å; S247-E251 PolarHBondContact OG-OE1 2.86Å; S247-E251 PolarHBondContact OG-OE2 2.93Å; T248-E251 VanDerWaalsContact CB-OE1 3.27Å; T248-E251 WeakPolarHBondContact CB-OE1 3.41Å; T248-E251 WeakPolarHBondContact CG2-OE1 3.4Å; T248-E251 PolarHBondContact N-OE1 3.32Å; T248-E251 PolarHBondContact N-OE2 3.49Å; T248-E251 PolarHBondContact O-N 2.95Å; T248-E251 VanDerWaalsContact OG1-CD 3.24Å; T248-E251 PolarHBondContact OG1-N 3.21Å; T248-E251 PolarHBondContact OG1-OE1 3.05Å; E251-V253 VanDerWaalsContact C-N 3.27Å; E251-V253 PolarHBondContact O-N 3.3Å; E251-T254 WeakPolarHBondContact CA-OG1 3.35Å; E251-T254 PolarHBondContact O-N 3.16Å; E251-T254 PolarHBondContact O-OG1 2.06Å; E251-H255 WeakPolarHBondContact O-CB 3.49Å; E251-H255 PolarHBondContact O-N 2.94Å
252L82.9Confident77.6Confident0 Ų048.5 Ų48.50%027%0.267CS..Hα-helixtrans-58.5-41.9175.917365.5000111.2L225 C227 F246 T248 M249 V256 W273 I293 T297L225-L252 HydrophobicContact CB-CD2 4.29Å; C227-L252 HydrophobicContact CB-CD1 3.57Å; F246-L252 HydrophobicContact CB-CB 4.09Å; F246-L252 HydrophobicContact CD2-CB 3.82Å; F246-L252 HydrophobicContact CD2-CD1 3.68Å; F246-L252 HydrophobicContact CD2-CG 4.36Å; F246-L252 HydrophobicContact CE2-CD1 3.98Å; F246-L252 HydrophobicContact CG-CB 4.08Å; T248-L252 PolarHBondContact O-N 2.67Å; T248-L252 VanDerWaalsContact O-N 3.16Å; M249-L252 HydrophobicContact CE-CD2 4.03Å; M249-L252 HydrophobicContact SD-CD2 4.49Å; L252-V256 HydrophobicContact CD1-CG2 3.87Å; L252-V256 HydrophobicContact CG-CG2 4.42Å; L252-V256 WeakPolarHBondContact O-CB 3.3Å; L252-V256 VanDerWaalsContact O-CG2 3.28Å; L252-V256 WeakPolarHBondContact O-CG2 3.24Å; L252-V256 PolarHBondContact O-N 3.33Å; L252-W273 HydrophobicContact CD1-CH2 4.2Å; L252-W273 HydrophobicContact CD1-CZ3 4.46Å; L252-W273 HydrophobicContact CD2-CH2 4.16Å; L252-I293 HydrophobicContact CD2-CG2 3.89Å; L252-I293 HydrophobicContact CG-CG2 4.42Å; L252-T297 HydrophobicContact CD2-CG2 3.41Å; L252-T297 VanDerWaalsContact CD2-CG2 3.41Å
253V78.1Confident76.6Confident11 Ų1150.1 Ų50.17%0.06729%0.285CS..Hα-helixtrans-71.9-37-179.8164.10000112M249 H250 E251 T257 V290M249-V253 HydrophobicContact CG-CG2 4.44Å; M249-V253 VanDerWaalsContact O-CB 3.24Å; M249-V253 WeakPolarHBondContact O-CB 3.28Å; M249-V253 WeakPolarHBondContact O-CG2 3.37Å; M249-V253 PolarHBondContact O-N 2.93Å; M249-V253 HydrophobicContact SD-CG2 3.7Å; H250-V253 PolarHBondContact O-N 3.14Å; E251-V253 VanDerWaalsContact C-N 3.27Å; E251-V253 PolarHBondContact O-N 3.3Å; V253-T257 HydrophobicContact CG1-CG2 4.43Å; V253-T257 VanDerWaalsContact O-CB 3.27Å; V253-T257 WeakPolarHBondContact O-CB 3.33Å; V253-T257 VanDerWaalsContact O-CG2 3.25Å; V253-T257 WeakPolarHBondContact O-CG2 3.25Å; V253-T257 PolarHBondContact O-N 3.03Å; V253-T257 PolarHBondContact O-OG1 2.85Å; V253-V290 HydrophobicContact CG1-CG1 4.17Å; V253-V290 HydrophobicContact CG1-CG2 3.56Å; V253-V290 HydrophobicContact CG2-CG1 3.94Å; V253-V290 HydrophobicContact CG2-CG2 4.33Å
254T80.1Confident75.5Confident55 Ų5551.2 Ų51.234%0.33730%0.298SS..Hα-helixtrans-66.6-49.217449.60000110.2H250 E251 T257 V258H250-T254 PolarHBondContact O-N 3.04Å; H250-T254 PolarHBondContact O-OG1 3.38Å; E251-T254 WeakPolarHBondContact CA-OG1 3.35Å; E251-T254 PolarHBondContact O-N 3.16Å; E251-T254 PolarHBondContact O-OG1 2.06Å; T254-T257 CarbonylContact O-C 3.54Å; T254-T257 PolarHBondContact O-N 3.23Å; T254-V258 WeakPolarHBondContact O-CB 3.41Å; T254-V258 VanDerWaalsContact O-CG2 3.26Å; T254-V258 WeakPolarHBondContact O-CG2 3.3Å; T254-V258 PolarHBondContact O-N 3.28Å
255H83.7Confident74.3Confident13 Ų1355.5 Ų55.56%0.0632%0.319CS..Hα-helixtrans-52.8-59.3174.7158.358.3000112.3C227 C242 F246 E251 T257 V258 E259 H260C227-H255 PolarHBondContact SG-NE2 2.89Å; C242-H255 PolarHBondContact SG-CE1 2.88Å; C242-H255 PolarHBondContact SG-NE2 3.27Å; F246-H255 HydrophobicContact CE1-CB 3.85Å; F246-H255 HydrophobicContact CE2-CB 3.99Å; F246-H255 AromaticContact CE2-CD2 3.24Å; F246-H255 WeakPolarHBondContact CE2-CD2 3.29Å; F246-H255 AromaticContact CE2-CG 3.71Å; F246-H255 HydrophobicContact CZ-CB 3.39Å; F246-H255 AromaticContact CZ-CD2 3.33Å; F246-H255 WeakPolarHBondContact CZ-CD2 3.47Å; F246-H255 AromaticContact CZ-CG 3.27Å; E251-H255 WeakPolarHBondContact O-CB 3.49Å; E251-H255 PolarHBondContact O-N 2.94Å; H255-T257 PolarHBondContact O-N 3.43Å; H255-V258 PolarHBondContact O-N 2.89Å; H255-V258 VanDerWaalsContact O-N 3.14Å; H255-E259 IonicContact CE1-OE2 2.87Å; H255-E259 PolarHBondContact CE1-OE2 3.49Å; H255-E259 IonicContact CG-OE2 2.74Å; H255-E259 IonicContact ND1-OE2 2.67Å; H255-E259 PolarHBondContact ND1-OE2 2.96Å; H255-E259 PolarHBondContact O-N 3.22Å; H255-H260 AromaticContact CE1-CD2 3.68Å; H255-H260 AromaticContact NE2-CD2 3.57Å
256V80.4Confident73.4Confident0 Ų056.4 Ų56.40%032%0.318CS..Iπ-helixtrans-56.7-39.8-179.5169.40000111.2C227 W229 L252 H260 V261 W273 I293C227-V256 VanDerWaalsContact SG-CG2 3.56Å; W229-V256 HydrophobicContact CD2-CG1 4.37Å; W229-V256 HydrophobicContact CE3-CG1 3.61Å; W229-V256 HydrophobicContact CE3-CG2 4.41Å; W229-V256 HydrophobicContact CH2-CG1 3.92Å; W229-V256 HydrophobicContact CZ3-CG1 3.35Å; L252-V256 HydrophobicContact CD1-CG2 3.87Å; L252-V256 HydrophobicContact CG-CG2 4.42Å; L252-V256 WeakPolarHBondContact O-CB 3.3Å; L252-V256 VanDerWaalsContact O-CG2 3.28Å; L252-V256 WeakPolarHBondContact O-CG2 3.24Å; L252-V256 PolarHBondContact O-N 3.33Å; V256-H260 WeakPolarHBondContact O-CB 3.44Å; V256-H260 PolarHBondContact O-N 3.42Å; V256-H260 VanDerWaalsContact O-N 3.14Å; V256-V261 HydrophobicContact CG1-CG2 4Å; V256-V261 WeakPolarHBondContact O-CG2 3.46Å; V256-V261 PolarHBondContact O-N 3.34Å; V256-W273 HydrophobicContact CG2-CZ3 4.44Å; V256-I293 HydrophobicContact CB-CD1 4.35Å; V256-I293 HydrophobicContact CG1-CD1 3.76Å
257T77.1Confident72.3Confident8 Ų859 Ų595%0.04934%0.341CS..Iπ-helixtrans-91.78.8-176.172.80000115.8V253 T254 H255 K286V253-T257 HydrophobicContact CG1-CG2 4.43Å; V253-T257 VanDerWaalsContact O-CB 3.27Å; V253-T257 WeakPolarHBondContact O-CB 3.33Å; V253-T257 VanDerWaalsContact O-CG2 3.25Å; V253-T257 WeakPolarHBondContact O-CG2 3.25Å; V253-T257 PolarHBondContact O-N 3.03Å; V253-T257 PolarHBondContact O-OG1 2.85Å; T254-T257 CarbonylContact O-C 3.54Å; T254-T257 PolarHBondContact O-N 3.23Å; H255-T257 PolarHBondContact O-N 3.43Å; T257-K286 VanDerWaalsContact CB-NZ 3.26Å; T257-K286 PolarHBondContact O-NZ 2.84Å; T257-K286 WeakPolarHBondContact OG1-CE 3.47Å; T257-K286 PolarHBondContact OG1-NZ 3.44Å
258V76.6Confident71.9Confident100 Ų10058.3 Ų58.361%0.60633%0.329SS*.Iπ-helixtrans-111.6-47167.21700000109.5T254 H255T254-V258 WeakPolarHBondContact O-CB 3.41Å; T254-V258 VanDerWaalsContact O-CG2 3.26Å; T254-V258 WeakPolarHBondContact O-CG2 3.3Å; T254-V258 PolarHBondContact O-N 3.28Å; H255-V258 PolarHBondContact O-N 2.89Å; H255-V258 VanDerWaalsContact O-N 3.14Å
259E76.8Confident71.7Confident99 Ų9956.5 Ų56.546%0.46332%0.317SS..Iπ-helixtrans-98.5-19.1-167.3-56.1-166.5137.100114.3K244 H255K244-E259 IonicContact NZ-OE1 3.5Å; K244-E259 PolarHBondContact NZ-OE1 3.34Å; K244-E259 IonicContact NZ-OE2 2.66Å; K244-E259 PolarHBondContact NZ-OE2 2.99Å; H255-E259 IonicContact CE1-OE2 2.87Å; H255-E259 PolarHBondContact CE1-OE2 3.49Å; H255-E259 IonicContact CG-OE2 2.74Å; H255-E259 IonicContact ND1-OE2 2.67Å; H255-E259 PolarHBondContact ND1-OE2 2.96Å; H255-E259 PolarHBondContact O-N 3.22Å
260H74.9Confident71.5Confident31 Ų3157.9 Ų57.914%0.14432%0.324CS..Iπ-helixtrans-122.6-26-174.9-64.6-36.8000115.1W229 E231 C242 H255 V256W229-H260 VanDerWaalsContact CB-CD2 3.5Å; W229-H260 WeakPolarHBondContact CB-CD2 3.47Å; W229-H260 AromaticContact CD1-CD2 3.96Å; W229-H260 AromaticContact CD1-CG 3.58Å; W229-H260 AromaticContact CD1-ND1 3.98Å; W229-H260 HydrophobicContact CD2-CB 3.87Å; W229-H260 HydrophobicContact CG-CB 3.82Å; W229-H260 AromaticContact CG-CD2 3.64Å; W229-H260 AromaticContact CG-CG 3.7Å; W229-H260 HydrophobicContact CZ2-CB 4.25Å; E231-H260 IonicContact OE1-CE1 3.91Å; E231-H260 IonicContact OE1-NE2 2.53Å; E231-H260 PolarHBondContact OE1-NE2 3.21Å; C242-H260 VanDerWaalsContact CB-NE2 3.34Å; C242-H260 WeakPolarHBondContact CB-NE2 3.4Å; H255-H260 AromaticContact CE1-CD2 3.68Å; H255-H260 AromaticContact NE2-CD2 3.57Å; V256-H260 WeakPolarHBondContact O-CB 3.44Å; V256-H260 PolarHBondContact O-N 3.42Å; V256-H260 VanDerWaalsContact O-N 3.14Å
261V71.5Confident71.7Confident7 Ų752.5 Ų52.54%0.04230%0.3CS..SBendtrans-105.1-6.7176.7-173.70000111.5W229 V256 Q266 H269 L289W229-V261 HydrophobicContact CH2-CG2 3.63Å; W229-V261 HydrophobicContact CZ2-CG2 3.88Å; W229-V261 HydrophobicContact CZ3-CG2 4.49Å; V256-V261 HydrophobicContact CG1-CG2 4Å; V256-V261 WeakPolarHBondContact O-CG2 3.46Å; V256-V261 PolarHBondContact O-N 3.34Å; V261-Q266 PolarHBondContact O-NE2 3.18Å; V261-Q266 PolarHBondContact O-OE1 2.81Å; V261-H269 HydrophobicContact CG1-CB 3.89Å; V261-L289 HydrophobicContact CG1-CD2 4.11Å; V261-L289 HydrophobicContact CG2-CD2 3.61Å
262G61.7Low71.3Confident23 Ų2352.8 Ų52.824%0.23730%0.3CS..  trans64-169.7-176.200000114.3
263G57.8Low70.9Confident43 Ų4353.2 Ų53.244%0.44330%0.302SS..SBendtrans-63.9170.5-174.600000115.2E265 Q266G263-E265 PolarHBondContact O-N 3.44Å; G263-Q266 PolarHBondContact O-N 3.09Å
264P57.3Low70.4Confident118 Ų11856.4 Ų56.477%0.76632%0.316SS*.THydrogen-bonded Turntrans-63.7-10-175.627.9-36.1000114.9
265E56.4Low69.8Low188 Ų18860 Ų6088%0.87933%0.329SS*.THydrogen-bonded Turntrans-79.5-15.2-177.8-59.2-179.2136.900113.5G263 S267G263-E265 PolarHBondContact O-N 3.44Å; E265-S267 PolarHBondContact O-N 3.22Å
266Q60.1Low69.3Low96 Ų9660.2 Ų60.245%0.44933%0.331SS..  trans-69.1106.3174.9-67.7-157.414.200111.3V261 G263 N268 H269V261-Q266 PolarHBondContact O-NE2 3.18Å; V261-Q266 PolarHBondContact O-OE1 2.81Å; G263-Q266 PolarHBondContact O-N 3.09Å; Q266-N268 PolarHBondContact O-N 2.83Å; Q266-H269 PolarHBondContact O-CE1 3.24Å; Q266-H269 PolarHBondContact O-ND1 3.36Å
267S57.9Low68.8Low93 Ų9365.9 Ų65.965%0.6537%0.368SS*.SBendtrans-64.9-18.3176.959.40000114.5E265E265-S267 PolarHBondContact O-N 3.22Å
268N66.9Low68.2Low86 Ų8669.5 Ų69.546%0.4638%0.381SS..SBendtrans-123.179.2-172.4-80.3-48.7000110.9Q266 I270 P282Q266-N268 PolarHBondContact O-N 2.83Å; N268-I270 PolarHBondContact O-N 2.96Å; N268-P282 HydrophobicContact CB-CB 3.71Å; N268-P282 HydrophobicContact CB-CG 4.39Å
269H72.4Confident67.3Low19 Ų1972.1 Ų72.19%0.08839%0.386CS..BIsolated β-bridgetrans-72.599.5178.6-40.3-70.9000110.4V261 Q266 F283 K286 L289V261-H269 HydrophobicContact CG1-CB 3.89Å; Q266-H269 PolarHBondContact O-CE1 3.24Å; Q266-H269 PolarHBondContact O-ND1 3.36Å; H269-F283 PolarHBondContact CD2-O 3.25Å; H269-F283 VanDerWaalsContact CD2-O 3.32Å; H269-F283 PolarHBondContact N-O 3.05Å; H269-F283 WeakPolarHBondContact O-CB 3.48Å; H269-F283 WeakPolarHBondContact O-CD2 3.38Å; H269-F283 PolarHBondContact O-N 3.4Å; H269-K286 PolarHBondContact CD2-N 3.03Å; H269-K286 PolarHBondContact NE2-N 3.08Å; H269-L289 HydrophobicContact CB-CB 4.34Å; H269-L289 HydrophobicContact CB-CD2 3.81Å
270I73Confident66.7Low46 Ų4668.8 Ų68.824%0.23638%0.379CS..  trans-80.5162.4177.8-63.1171.6000110.1W229 N268 F272 G280 P282 L289W229-I270 VanDerWaalsContact CH2-O 3.23Å; W229-I270 WeakPolarHBondContact CH2-O 3.48Å; N268-I270 PolarHBondContact O-N 2.96Å; I270-F272 HydrophobicContact CB-CD2 4.41Å; I270-F272 HydrophobicContact CB-CE2 3.82Å; I270-F272 HydrophobicContact CB-CZ 4.04Å; I270-F272 HydrophobicContact CD1-CZ 4.11Å; I270-F272 HydrophobicContact CG2-CD1 4.08Å; I270-F272 HydrophobicContact CG2-CD2 3.88Å; I270-F272 HydrophobicContact CG2-CE1 3.69Å; I270-F272 HydrophobicContact CG2-CE2 3.47Å; I270-F272 VanDerWaalsContact CG2-CE2 3.47Å; I270-F272 HydrophobicContact CG2-CG 4.18Å; I270-F272 HydrophobicContact CG2-CZ 3.37Å; I270-G280 WeakPolarHBondContact CG1-O 3.21Å; I270-G280 WeakPolarHBondContact CG2-O 3.21Å; I270-P282 HydrophobicContact CG1-CB 3.85Å; I270-L289 WeakPolarHBondContact O-CD2 3.49Å
271C78.7Confident66.4Low1 Ų173.5 Ų73.51%0.00740%0.399CS..  trans-117.7123.8167.5-166.50000109.1W229 F283 L289W229-C271 HydrophobicContact CH2-CB 4.43Å; C271-F283 HydrophobicContact CB-CE2 4.13Å; C271-L289 HydrophobicContact CB-CD1 3.68Å
272F72.5Confident66.5Low71 Ų7176 Ų7631%0.31142%0.415SS..  trans-117.941.5175.9-59.4-76.8000111W229 I230 P232 I270W229-F272 HydrophobicContact CZ2-CB 4.36Å; W229-F272 HydrophobicContact CZ2-CD2 4.01Å; W229-F272 AromaticContact NE1-CD2 3.86Å; I230-F272 HydrophobicContact CB-CB 4.49Å; I230-F272 WeakPolarHBondContact CB-O 3.25Å; I230-F272 PolarHBondContact N-O 3.43Å; I230-F272 WeakPolarHBondContact O-CB 3.18Å; P232-F272 HydrophobicContact CB-CE2 4.3Å; P232-F272 HydrophobicContact CB-CZ 4.33Å; P232-F272 HydrophobicContact CG-CD2 4.37Å; P232-F272 HydrophobicContact CG-CE2 4.14Å; I270-F272 HydrophobicContact CB-CD2 4.41Å; I270-F272 HydrophobicContact CB-CE2 3.82Å; I270-F272 HydrophobicContact CB-CZ 4.04Å; I270-F272 HydrophobicContact CD1-CZ 4.11Å; I270-F272 HydrophobicContact CG2-CD1 4.08Å; I270-F272 HydrophobicContact CG2-CD2 3.88Å; I270-F272 HydrophobicContact CG2-CE1 3.69Å; I270-F272 HydrophobicContact CG2-CE2 3.47Å; I270-F272 VanDerWaalsContact CG2-CE2 3.47Å; I270-F272 HydrophobicContact CG2-CG 4.18Å; I270-F272 HydrophobicContact CG2-CZ 3.37Å
273W75.3Confident67Low10 Ų1076 Ų764%0.03841%0.409CS..BIsolated β-bridgetrans-73139.5176.7-157.2-77.5000110.5I226 K228 W229 L252 V256 E275 C276 I293 H296 T297I226-W273 WeakPolarHBondContact O-CH2 3.12Å; I226-W273 VanDerWaalsContact O-CZ2 3.3Å; I226-W273 WeakPolarHBondContact O-CZ2 3.25Å; K228-W273 HydrophobicContact CB-CD2 4.48Å; K228-W273 HydrophobicContact CB-CZ2 4.17Å; K228-W273 WeakPolarHBondContact O-CA 3.4Å; W229-W273 HydrophobicContact CE3-CE3 4.04Å; L252-W273 HydrophobicContact CD1-CH2 4.2Å; L252-W273 HydrophobicContact CD1-CZ3 4.46Å; L252-W273 HydrophobicContact CD2-CH2 4.16Å; V256-W273 HydrophobicContact CG2-CZ3 4.44Å; W273-E275 PolarHBondContact O-N 2.95Å; W273-E275 VanDerWaalsContact O-N 3.08Å; W273-C276 HydrophobicContact CB-CB 4.12Å; W273-C276 WeakPolarHBondContact O-CB 3.39Å; W273-C276 PolarHBondContact O-N 3.11Å; W273-I293 HydrophobicContact CH2-CG2 4.35Å; W273-I293 HydrophobicContact CZ3-CG2 3.89Å; W273-H296 AromaticContact CD1-CD2 3.97Å; W273-H296 AromaticContact CD1-CG 3.61Å; W273-H296 AromaticContact CD1-ND1 3.9Å; W273-H296 HydrophobicContact CD2-CB 3.77Å; W273-H296 AromaticContact CD2-CD2 3.6Å; W273-H296 AromaticContact CD2-CG 3.77Å; W273-H296 VanDerWaalsContact CE2-CB 3.44Å; W273-H296 AromaticContact CE2-CG 3.95Å; W273-H296 HydrophobicContact CE3-CB 4.47Å; W273-H296 AromaticContact CE3-CD2 3.95Å; W273-H296 HydrophobicContact CG-CB 3.98Å; W273-H296 AromaticContact CG-CD2 3.44Å; W273-H296 VanDerWaalsContact CG-CD2 3.44Å; W273-H296 AromaticContact CG-CG 3.57Å; W273-H296 AromaticContact CG-NE2 3.95Å; W273-H296 HydrophobicContact CZ2-CB 3.89Å; W273-H296 AromaticContact NE1-CG 3.83Å; W273-T297 HydrophobicContact CH2-CG2 4.24Å; W273-T297 HydrophobicContact CZ2-CG2 4.46Å
274E67.8Low67.8Low78 Ų7883.5 Ų83.536%0.36443%0.429SS..THydrogen-bonded Turntrans-48.6-42.5-173.7-72.2178.9164.800114.3K228 I230 S241K228-E274 HydrophobicContact CB-CB 4.42Å; K228-E274 HydrophobicContact CB-CG 4.11Å; K228-E274 WeakPolarHBondContact CD-OE2 3.26Å; K228-E274 WeakPolarHBondContact CE-OE2 3.37Å; K228-E274 IonicContact NZ-OE2 2.67Å; K228-E274 PolarHBondContact NZ-OE2 3.21Å; K228-E274 PolarHBondContact O-N 2.84Å; I230-E274 HydrophobicContact CD1-CG 4.2Å; I230-E274 HydrophobicContact CG1-CG 3.87Å; S241-E274 WeakPolarHBondContact CB-OE1 3.27Å; S241-E274 PolarHBondContact OG-OE1 3.2Å
275E68Low68.6Low131 Ų13179.1 Ų79.161%0.61240%0.403SS*.THydrogen-bonded Turntrans-102.226.9-173.6-62.7164.2-134.100112.2K228 W273 P277K228-E275 IonicContact NZ-OE1 3.94Å; K228-E275 PolarHBondContact NZ-OE1 3.3Å; W273-E275 PolarHBondContact O-N 2.95Å; W273-E275 VanDerWaalsContact O-N 3.08Å; E275-P277 VanDerWaalsContact O-CD 3.29Å; E275-P277 WeakPolarHBondContact O-CD 3.1Å
276C72.5Confident69.4Low17 Ų1773 Ų7312%0.11537%0.373CS..  trans-84.3116.4-171.7-159.20000113.3W273 R278 H292 H296W273-C276 HydrophobicContact CB-CB 4.12Å; W273-C276 WeakPolarHBondContact O-CB 3.39Å; W273-C276 PolarHBondContact O-N 3.11Å; C276-R278 PolarHBondContact O-N 3.33Å; C276-H292 PolarHBondContact SG-NE2 3.24Å; C276-H296 VanDerWaalsContact SG-CE1 3.52Å
277P69.9Low70Confident119 Ų11975.1 Ų75.177%0.77338%0.378SS*.SBendtrans-77.740.6175.435.6-38.4000112.2E275E275-P277 VanDerWaalsContact O-CD 3.29Å; E275-P277 WeakPolarHBondContact O-CD 3.1Å
278R64.5Low71Confident83 Ų8375.5 Ų75.531%0.31337%0.368SS..SBendtrans-14984.9-175.5176.1-170.5-84.5-98.1-6.8108C276 G280 K281C276-R278 PolarHBondContact O-N 3.33Å; R278-G280 PolarHBondContact O-N 3.16Å; R278-K281 WeakPolarHBondContact CD-O 3.02Å; R278-K281 HydrophobicContact CG-CB 3.78Å; R278-K281 HydrophobicContact CG-CG 4.14Å; R278-K281 PolarHBondContact NH1-O 3.07Å
279E58.3Low71.6Confident155 Ų15571.4 Ų71.472%0.72435%0.346SS*.SBendtrans-51.590.9173.7-43.2-44.9133.900112.1K281E279-K281 WeakPolarHBondContact O-CG 3.41Å; E279-K281 PolarHBondContact O-N 3.39Å
280G64.2Low71.7Confident29 Ų2971.2 Ų71.230%0.29935%0.346SS..SBendtrans57.57173.300000118.1I270 R278 P282I270-G280 WeakPolarHBondContact CG1-O 3.21Å; I270-G280 WeakPolarHBondContact CG2-O 3.21Å; R278-G280 PolarHBondContact O-N 3.16Å; G280-P282 WeakPolarHBondContact O-CD 3.35Å
281K67.3Low71.8Confident130 Ų13071.8 Ų71.857%0.56535%0.35SS*.  trans-74.9115.5-165.4-50.3-166.7177.6179.10112.7R278 E279R278-K281 WeakPolarHBondContact CD-O 3.02Å; R278-K281 HydrophobicContact CG-CB 3.78Å; R278-K281 HydrophobicContact CG-CG 4.14Å; R278-K281 PolarHBondContact NH1-O 3.07Å; E279-K281 WeakPolarHBondContact O-CG 3.41Å; E279-K281 PolarHBondContact O-N 3.39Å
282P74.6Confident72Confident60 Ų6072.8 Ų72.839%0.3936%0.355SS..  trans-65.1148.4-170.625.1-34.7000113.9N268 I270 G280N268-P282 HydrophobicContact CB-CB 3.71Å; N268-P282 HydrophobicContact CB-CG 4.39Å; I270-P282 HydrophobicContact CG1-CB 3.85Å; G280-P282 WeakPolarHBondContact O-CD 3.35Å
283F72.6Confident72.2Confident22 Ų2269.4 Ų69.410%0.09634%0.34CS..BIsolated β-bridgetrans-96.7123171-70.4-84.7000110.4H269 C271 A285 K288 L289 H292H269-F283 PolarHBondContact CD2-O 3.25Å; H269-F283 VanDerWaalsContact CD2-O 3.32Å; H269-F283 PolarHBondContact N-O 3.05Å; H269-F283 WeakPolarHBondContact O-CB 3.48Å; H269-F283 WeakPolarHBondContact O-CD2 3.38Å; H269-F283 PolarHBondContact O-N 3.4Å; C271-F283 HydrophobicContact CB-CE2 4.13Å; F283-A285 PolarHBondContact O-N 3.43Å; F283-K288 HydrophobicContact CB-CB 4.1Å; F283-K288 HydrophobicContact CD1-CB 3.62Å; F283-K288 HydrophobicContact CE1-CB 4.45Å; F283-K288 HydrophobicContact CG-CB 4.21Å; F283-L289 HydrophobicContact CB-CB 4.3Å; F283-L289 HydrophobicContact CD2-CB 4.06Å; F283-L289 HydrophobicContact CD2-CD1 3.91Å; F283-L289 HydrophobicContact CE2-CD1 4Å; F283-L289 HydrophobicContact CG-CB 4.25Å; F283-H292 HydrophobicContact CE1-CB 4.09Å; F283-H292 HydrophobicContact CE2-CB 4.23Å; F283-H292 AromaticContact CE2-CD2 3.25Å; F283-H292 WeakPolarHBondContact CE2-CD2 3.46Å; F283-H292 AromaticContact CE2-CG 3.95Å; F283-H292 AromaticContact CE2-NE2 3.95Å; F283-H292 HydrophobicContact CZ-CB 3.61Å; F283-H292 AromaticContact CZ-CD2 3.18Å; F283-H292 WeakPolarHBondContact CZ-CD2 3.41Å; F283-H292 AromaticContact CZ-CG 3.43Å; F283-H292 VanDerWaalsContact CZ-CG 3.43Å; F283-H292 AromaticContact CZ-NE2 3.85Å
284K74.1Confident72.3Confident202 Ų20270.1 Ų70.188%0.87834%0.342SS*.SBendtrans-624.6178.7-57.2-166.6175.9-164.50116.2
285A73.8Confident72.7Confident26 Ų2671.2 Ų71.222%0.21535%0.354CS..SBendtrans-169.6140.1176.300000112.3F283 Y287 K288F283-A285 PolarHBondContact O-N 3.43Å; A285-Y287 VanDerWaalsContact C-N 3.26Å; A285-Y287 HydrophobicContact CB-CD1 3.54Å; A285-Y287 HydrophobicContact CB-CE1 3.44Å; A285-Y287 VanDerWaalsContact CB-CE1 3.44Å; A285-Y287 PolarHBondContact O-N 3Å; A285-Y287 VanDerWaalsContact O-N 3.13Å; A285-K288 HydrophobicContact CB-CG 4.39Å; A285-K288 WeakPolarHBondContact O-CB 3.27Å; A285-K288 PolarHBondContact O-N 2.74Å
286K72.8Confident73Confident58 Ų5866.8 Ų66.825%0.25233%0.333SS..Hα-helixtrans-49.6-42.2-177.7-174.6164177.5155.80113T257 H269 K288 L289 V290T257-K286 VanDerWaalsContact CB-NZ 3.26Å; T257-K286 PolarHBondContact O-NZ 2.84Å; T257-K286 WeakPolarHBondContact OG1-CE 3.47Å; T257-K286 PolarHBondContact OG1-NZ 3.44Å; H269-K286 PolarHBondContact CD2-N 3.03Å; H269-K286 PolarHBondContact NE2-N 3.08Å; K286-K288 VanDerWaalsContact C-N 3.26Å; K286-K288 PolarHBondContact O-N 3.05Å; K286-L289 PolarHBondContact O-N 3Å; K286-V290 WeakPolarHBondContact O-CG2 3.41Å; K286-V290 PolarHBondContact O-N 2.67Å
287Y73.7Confident73.1Confident141 Ų14167.1 Ų67.155%0.55334%0.335SS*.Hα-helixtrans-64.2-24.517982.3-89.9000114.2A285 N291A285-Y287 VanDerWaalsContact C-N 3.26Å; A285-Y287 HydrophobicContact CB-CD1 3.54Å; A285-Y287 HydrophobicContact CB-CE1 3.44Å; A285-Y287 VanDerWaalsContact CB-CE1 3.44Å; A285-Y287 PolarHBondContact O-N 3Å; A285-Y287 VanDerWaalsContact O-N 3.13Å; Y287-N291 PolarHBondContact O-N 3.06Å; Y287-N291 VanDerWaalsContact O-N 3.11Å; Y287-N291 PolarHBondContact O-ND2 3.24Å
288K77.5Confident73Confident102 Ų10263.4 Ų63.444%0.44332%0.318SS..Hα-helixtrans-73.6-42174.5-62-65.8-160.2-151.90111F283 A285 K286 N291 H292F283-K288 HydrophobicContact CB-CB 4.1Å; F283-K288 HydrophobicContact CD1-CB 3.62Å; F283-K288 HydrophobicContact CE1-CB 4.45Å; F283-K288 HydrophobicContact CG-CB 4.21Å; A285-K288 HydrophobicContact CB-CG 4.39Å; A285-K288 WeakPolarHBondContact O-CB 3.27Å; A285-K288 PolarHBondContact O-N 2.74Å; K286-K288 VanDerWaalsContact C-N 3.26Å; K286-K288 PolarHBondContact O-N 3.05Å; K288-N291 PolarHBondContact O-N 3.16Å; K288-H292 WeakPolarHBondContact O-CB 3.45Å; K288-H292 PolarHBondContact O-N 3.17Å; K288-H292 VanDerWaalsContact O-N 3.07Å
289L79.6Confident73.1Confident0 Ų061.9 Ų61.90%032%0.315CS..Hα-helixtrans-62.3-44.8173.1176.960.3000110.9W229 V261 H269 I270 C271 F283 K286 N291 H292 I293W229-L289 HydrophobicContact CH2-CD1 4.4Å; W229-L289 HydrophobicContact CH2-CD2 4.26Å; V261-L289 HydrophobicContact CG1-CD2 4.11Å; V261-L289 HydrophobicContact CG2-CD2 3.61Å; H269-L289 HydrophobicContact CB-CB 4.34Å; H269-L289 HydrophobicContact CB-CD2 3.81Å; I270-L289 WeakPolarHBondContact O-CD2 3.49Å; C271-L289 HydrophobicContact CB-CD1 3.68Å; F283-L289 HydrophobicContact CB-CB 4.3Å; F283-L289 HydrophobicContact CD2-CB 4.06Å; F283-L289 HydrophobicContact CD2-CD1 3.91Å; F283-L289 HydrophobicContact CE2-CD1 4Å; F283-L289 HydrophobicContact CG-CB 4.25Å; K286-L289 PolarHBondContact O-N 3Å; L289-N291 VanDerWaalsContact C-N 3.31Å; L289-N291 PolarHBondContact O-N 2.99Å; L289-H292 CarbonylContact O-C 3.23Å; L289-H292 WeakPolarHBondContact O-CA 3.44Å; L289-H292 WeakPolarHBondContact O-CB 3.48Å; L289-H292 PolarHBondContact O-N 3.42Å; L289-I293 HydrophobicContact CD1-CD1 4.31Å; L289-I293 HydrophobicContact CD1-CG1 4.22Å; L289-I293 HydrophobicContact CG-CD1 4.02Å; L289-I293 HydrophobicContact CG-CG1 4.42Å; L289-I293 WeakPolarHBondContact O-CG1 3.24Å; L289-I293 PolarHBondContact O-N 2.98Å
290V75.3Confident73.6Confident14 Ų1460.2 Ų60.29%0.08531%0.305CS..Hα-helixtrans-58.6-40.1175.3171.90000112.6V253 K286 H292V253-V290 HydrophobicContact CG1-CG1 4.17Å; V253-V290 HydrophobicContact CG1-CG2 3.56Å; V253-V290 HydrophobicContact CG2-CG1 3.94Å; V253-V290 HydrophobicContact CG2-CG2 4.33Å; K286-V290 WeakPolarHBondContact O-CG2 3.41Å; K286-V290 PolarHBondContact O-N 2.67Å; V290-H292 PolarHBondContact O-N 2.87Å
291N75.9Confident73.8Confident59 Ų5961.5 Ų61.532%0.31631%0.308SS..Hα-helixtrans-72.8-15.5174.1-83-87.8000113.5Y287 K288 L289Y287-N291 PolarHBondContact O-N 3.06Å; Y287-N291 VanDerWaalsContact O-N 3.11Å; Y287-N291 PolarHBondContact O-ND2 3.24Å; K288-N291 PolarHBondContact O-N 3.16Å; L289-N291 VanDerWaalsContact C-N 3.31Å; L289-N291 PolarHBondContact O-N 2.99Å
292H81.5Confident73.8Confident22 Ų2257.6 Ų57.610%0.10229%0.291CS..Hα-helixtrans-90.2-36.7176.717246.7000112.6C276 F283 K288 L289 V290 R294 V295 H296C276-H292 PolarHBondContact SG-NE2 3.24Å; F283-H292 HydrophobicContact CE1-CB 4.09Å; F283-H292 HydrophobicContact CE2-CB 4.23Å; F283-H292 AromaticContact CE2-CD2 3.25Å; F283-H292 WeakPolarHBondContact CE2-CD2 3.46Å; F283-H292 AromaticContact CE2-CG 3.95Å; F283-H292 AromaticContact CE2-NE2 3.95Å; F283-H292 HydrophobicContact CZ-CB 3.61Å; F283-H292 AromaticContact CZ-CD2 3.18Å; F283-H292 WeakPolarHBondContact CZ-CD2 3.41Å; F283-H292 AromaticContact CZ-CG 3.43Å; F283-H292 VanDerWaalsContact CZ-CG 3.43Å; F283-H292 AromaticContact CZ-NE2 3.85Å; K288-H292 WeakPolarHBondContact O-CB 3.45Å; K288-H292 PolarHBondContact O-N 3.17Å; K288-H292 VanDerWaalsContact O-N 3.07Å; L289-H292 CarbonylContact O-C 3.23Å; L289-H292 WeakPolarHBondContact O-CA 3.44Å; L289-H292 WeakPolarHBondContact O-CB 3.48Å; L289-H292 PolarHBondContact O-N 3.42Å; V290-H292 PolarHBondContact O-N 2.87Å; H292-R294 PolarHBondContact O-N 2.89Å; H292-V295 WeakPolarHBondContact O-CA 3.48Å; H292-V295 WeakPolarHBondContact O-CB 3.34Å; H292-V295 WeakPolarHBondContact O-CG2 3.18Å; H292-V295 PolarHBondContact O-N 3.17Å; H292-H296 AromaticContact CE1-CE1 3.74Å; H292-H296 AromaticContact CE1-NE2 3.43Å; H292-H296 PolarHBondContact CE1-NE2 3.22Å; H292-H296 AromaticContact NE2-NE2 3.49Å; H292-H296 PolarHBondContact NE2-NE2 3.13Å
293I77.7Confident73.7Confident0 Ų057.2 Ų57.20%029%0.289CS..Hα-helixtrans-55.9-35.6174.8-69162.7000111.2L252 V256 W273 L289 V295 H296 T297L252-I293 HydrophobicContact CD2-CG2 3.89Å; L252-I293 HydrophobicContact CG-CG2 4.42Å; V256-I293 HydrophobicContact CB-CD1 4.35Å; V256-I293 HydrophobicContact CG1-CD1 3.76Å; W273-I293 HydrophobicContact CH2-CG2 4.35Å; W273-I293 HydrophobicContact CZ3-CG2 3.89Å; L289-I293 HydrophobicContact CD1-CD1 4.31Å; L289-I293 HydrophobicContact CD1-CG1 4.22Å; L289-I293 HydrophobicContact CG-CD1 4.02Å; L289-I293 HydrophobicContact CG-CG1 4.42Å; L289-I293 WeakPolarHBondContact O-CG1 3.24Å; L289-I293 PolarHBondContact O-N 2.98Å; I293-V295 PolarHBondContact O-N 3.09Å; I293-V295 VanDerWaalsContact O-N 3.11Å; I293-H296 WeakPolarHBondContact O-CB 3.49Å; I293-H296 PolarHBondContact O-N 3.31Å; I293-T297 PolarHBondContact O-N 3.38Å
294R76.1Confident74Confident24 Ų2456.8 Ų56.89%0.09129%0.289CS..Hα-helixtrans-60.9-15.2172.5-64.1178.2-175.2-171.6-2.7115.2M249 H292 G298 E299 A314M249-R294 HydrophobicContact CE-CG 4.11Å; M249-R294 HydrophobicContact SD-CG 3.91Å; H292-R294 PolarHBondContact O-N 2.89Å; R294-G298 CarbonylContact O-C 3.6Å; R294-G298 PolarHBondContact O-N 3.11Å; R294-E299 PolarHBondContact O-N 2.91Å; R294-A314 PolarHBondContact NH1-O 3.41Å; R294-A314 VanDerWaalsContact NH1-O 3.15Å
295V76.9Confident73.9Confident101 Ų10150.9 Ų50.961%0.61227%0.271SS*.Hα-helixtrans-74.7-37.5171.7-176.90000109.9H292 I293H292-V295 WeakPolarHBondContact O-CA 3.48Å; H292-V295 WeakPolarHBondContact O-CB 3.34Å; H292-V295 WeakPolarHBondContact O-CG2 3.18Å; H292-V295 PolarHBondContact O-N 3.17Å; I293-V295 PolarHBondContact O-N 3.09Å; I293-V295 VanDerWaalsContact O-N 3.11Å
296H74.6Confident73.8Confident39 Ų3954.6 Ų54.618%0.18128%0.282CS..Hα-helixtrans-76.7-41.6-179.2-54.9-50.9000112.6W273 C276 H292 I293 G298W273-H296 AromaticContact CD1-CD2 3.97Å; W273-H296 AromaticContact CD1-CG 3.61Å; W273-H296 AromaticContact CD1-ND1 3.9Å; W273-H296 HydrophobicContact CD2-CB 3.77Å; W273-H296 AromaticContact CD2-CD2 3.6Å; W273-H296 AromaticContact CD2-CG 3.77Å; W273-H296 VanDerWaalsContact CE2-CB 3.44Å; W273-H296 AromaticContact CE2-CG 3.95Å; W273-H296 HydrophobicContact CE3-CB 4.47Å; W273-H296 AromaticContact CE3-CD2 3.95Å; W273-H296 HydrophobicContact CG-CB 3.98Å; W273-H296 AromaticContact CG-CD2 3.44Å; W273-H296 VanDerWaalsContact CG-CD2 3.44Å; W273-H296 AromaticContact CG-CG 3.57Å; W273-H296 AromaticContact CG-NE2 3.95Å; W273-H296 HydrophobicContact CZ2-CB 3.89Å; W273-H296 AromaticContact NE1-CG 3.83Å; C276-H296 VanDerWaalsContact SG-CE1 3.52Å; H292-H296 AromaticContact CE1-CE1 3.74Å; H292-H296 AromaticContact CE1-NE2 3.43Å; H292-H296 PolarHBondContact CE1-NE2 3.22Å; H292-H296 AromaticContact NE2-NE2 3.49Å; H292-H296 PolarHBondContact NE2-NE2 3.13Å; I293-H296 WeakPolarHBondContact O-CB 3.49Å; I293-H296 PolarHBondContact O-N 3.31Å; H296-G298 PolarHBondContact O-N 3.07Å
297T73.9Confident73.8Confident24 Ų2456.4 Ų56.415%0.14730%0.3CS..SBendtrans-78.2-3.5175.666.10000113.9L225 M249 L252 W273 I293 E299L225-T297 HydrophobicContact CD2-CG2 4.1Å; M249-T297 HydrophobicContact CE-CG2 3.98Å; M249-T297 VanDerWaalsContact CE-OG1 3.26Å; M249-T297 WeakPolarHBondContact CE-OG1 3.26Å; L252-T297 HydrophobicContact CD2-CG2 3.41Å; L252-T297 VanDerWaalsContact CD2-CG2 3.41Å; W273-T297 HydrophobicContact CH2-CG2 4.24Å; W273-T297 HydrophobicContact CZ2-CG2 4.46Å; I293-T297 PolarHBondContact O-N 3.38Å; T297-E299 PolarHBondContact O-N 3.41Å; T297-E299 WeakPolarHBondContact OG1-CB 3.43Å; T297-E299 PolarHBondContact OG1-N 3.33Å
298G68.7Low73.8Confident41 Ų4154.1 Ų54.142%0.42332%0.319SS..  trans660.4-173.300000115.4R294 H296 K300R294-G298 CarbonylContact O-C 3.6Å; R294-G298 PolarHBondContact O-N 3.11Å; H296-G298 PolarHBondContact O-N 3.07Å; G298-K300 VanDerWaalsContact O-CD 3.26Å; G298-K300 WeakPolarHBondContact O-CD 3.42Å; G298-K300 WeakPolarHBondContact O-CE 3.4Å; G298-K300 PolarHBondContact O-N 2.79Å
299E66.6Low73.8Confident50 Ų5050.1 Ų50.123%0.23430%0.304CS..  trans-59.4134.6-167.1-104.8-146.7-176.500114.4L225 M249 R294 T297L225-E299 HydrophobicContact CD2-CG 4Å; M249-E299 VanDerWaalsContact CB-OE2 3.22Å; M249-E299 WeakPolarHBondContact CB-OE2 3.41Å; M249-E299 HydrophobicContact CE-CB 4.01Å; M249-E299 HydrophobicContact CE-CG 3.9Å; M249-E299 WeakPolarHBondContact CG-OE2 3.23Å; R294-E299 PolarHBondContact O-N 2.91Å; T297-E299 PolarHBondContact O-N 3.41Å; T297-E299 WeakPolarHBondContact OG1-CB 3.43Å; T297-E299 PolarHBondContact OG1-N 3.33Å
300K67.8Low73.6Confident120 Ų12053.4 Ų53.452%0.52234%0.338SS..  trans-125.879.2174.5-65.1122.7177.6-84.10110.8G298 F302 V312 F313G298-K300 VanDerWaalsContact O-CD 3.26Å; G298-K300 WeakPolarHBondContact O-CD 3.42Å; G298-K300 WeakPolarHBondContact O-CE 3.4Å; G298-K300 PolarHBondContact O-N 2.79Å; K300-F302 PolarHBondContact O-N 3.09Å; K300-F302 VanDerWaalsContact O-N 3.08Å; K300-V312 HydrophobicContact CB-CB 3.7Å; K300-V312 HydrophobicContact CB-CG1 3.49Å; K300-V312 VanDerWaalsContact CB-CG1 3.49Å; K300-V312 HydrophobicContact CG-CB 4.39Å; K300-V312 WeakPolarHBondContact CG-O 3.37Å; K300-V312 WeakPolarHBondContact O-CG1 3.44Å; K300-F313 CarbonylContact C-O 3.57Å; K300-F313 WeakPolarHBondContact CA-O 3.4Å
301P69.5Low73.6Confident56 Ų5658.5 Ų58.536%0.36436%0.359SS..  trans-72.83.1-178.328-35.1000114.7P303P301-P303 WeakPolarHBondContact O-CD 3.41Å
302F67.1Low73.5Confident48 Ų4858.7 Ų58.721%0.21136%0.362CS..EExtended strand (participates in β ladder)trans-12081.2-178.7-56.4-73.6000111.9K300 F313 S316 L319K300-F302 PolarHBondContact O-N 3.09Å; K300-F302 VanDerWaalsContact O-N 3.08Å; F302-F313 HydrophobicContact CB-CB 4.32Å; F302-F313 WeakPolarHBondContact CB-O 3.24Å; F302-F313 PolarHBondContact N-O 2.88Å; F302-F313 VanDerWaalsContact N-O 3.07Å; F302-F313 PolarHBondContact O-N 2.85Å; F302-S316 VanDerWaalsContact CD2-N 3.28Å; F302-L319 HydrophobicContact CB-CB 4.04Å; F302-L319 HydrophobicContact CB-CD2 3.85Å
303P72.8Confident73Confident52 Ų5259.7 Ų59.734%0.33837%0.366SS..EExtended strand (participates in β ladder)trans-66.4150.717027.9-34.3000111.9P301 V312 L319P301-P303 WeakPolarHBondContact O-CD 3.41Å; P303-V312 HydrophobicContact CB-CG1 4.02Å; P303-L319 WeakPolarHBondContact O-CD2 3.26Å
304C77.8Confident72.5Confident14 Ų1461.2 Ų61.210%0.09538%0.378CS..  trans-75125.3167.4-163.80000110.4F306 C309 K311 L319 H322 H326C304-F306 PolarHBondContact O-N 3.25Å; C304-C309 HydrophobicContact CB-CB 4.38Å; C304-K311 WeakPolarHBondContact CB-O 3.32Å; C304-K311 PolarHBondContact N-O 2.94Å; C304-L319 HydrophobicContact CB-CD1 4.14Å; C304-H322 PolarHBondContact SG-CD2 3.15Å; C304-H322 PolarHBondContact SG-NE2 3.1Å; C304-H326 PolarHBondContact SG-NE2 2.97Å
305P73.3Confident72.2Confident78 Ų7866.1 Ų66.151%0.50640%0.397SS..  trans-78.64.2178.634.5-37.4000113.3
306F71.8Confident72.1Confident104 Ų10464.6 Ų64.646%0.45639%0.391SS..SBendtrans-81.5123.9178.2-165.7-88.8000110C304 C309 H326C304-F306 PolarHBondContact O-N 3.25Å; F306-C309 HydrophobicContact CB-CB 4.21Å; F306-C309 HydrophobicContact CD1-CB 4.37Å; F306-C309 VanDerWaalsContact O-CB 3.23Å; F306-C309 WeakPolarHBondContact O-CB 3.3Å; F306-C309 PolarHBondContact O-N 3.5Å; F306-H326 AromaticContact CD1-CE1 3.69Å; F306-H326 AromaticContact CD1-ND1 3.52Å; F306-H326 HydrophobicContact CD2-CB 3.84Å; F306-H326 AromaticContact CD2-CG 3.9Å; F306-H326 AromaticContact CE1-ND1 3.91Å; F306-H326 HydrophobicContact CE2-CB 4.15Å; F306-H326 HydrophobicContact CG-CB 4.16Å; F306-H326 AromaticContact CG-CD2 3.95Å; F306-H326 AromaticContact CG-CG 3.68Å; F306-H326 AromaticContact CG-ND1 3.65Å
307P72.3Confident72.1Confident96 Ų9667.4 Ų67.462%0.62340%0.404SS*.THydrogen-bonded Turntrans-60.9146.4-177.225.9-34.4000111.4C309P307-C309 PolarHBondContact O-N 2.56Å; P307-C309 VanDerWaalsContact O-N 3.11Å
308G73.7Confident72.3Confident93 Ų9368.6 Ų68.696%0.95941%0.41SS*.THydrogen-bonded Turntrans70.3-4.6-175.700000115.5
309C76.5Confident72.9Confident17 Ų1767.7 Ų67.712%0.11540%0.395CS..  trans-81-41.9-178-171.30000114.2C304 F306 P307 K311 H322 H326C304-C309 HydrophobicContact CB-CB 4.38Å; F306-C309 HydrophobicContact CB-CB 4.21Å; F306-C309 HydrophobicContact CD1-CB 4.37Å; F306-C309 VanDerWaalsContact O-CB 3.23Å; F306-C309 WeakPolarHBondContact O-CB 3.3Å; F306-C309 PolarHBondContact O-N 3.5Å; P307-C309 PolarHBondContact O-N 2.56Å; P307-C309 VanDerWaalsContact O-N 3.11Å; C309-K311 PolarHBondContact O-N 3.37Å; C309-H322 PolarHBondContact SG-NE2 2.81Å; C309-H326 WeakPolarHBondContact CB-CE1 3.42Å; C309-H326 WeakPolarHBondContact CB-NE2 3.24Å; C309-H326 PolarHBondContact SG-CE1 3.07Å; C309-H326 PolarHBondContact SG-NE2 3.39Å
310G75.2Confident73.5Confident69 Ų6971 Ų7171%0.71141%0.408SS*.  trans63.5-9.3178.600000117.2V312G310-V312 VanDerWaalsContact O-CG2 3.29Å; G310-V312 WeakPolarHBondContact O-CG2 3.4Å
311K75.1Confident74.1Confident121 Ų12167.3 Ų67.353%0.52639%0.394SS..  trans-73.6131.4-172.2-69.9169.1-168.4172.60112.1C304 C309 F313C304-K311 WeakPolarHBondContact CB-O 3.32Å; C304-K311 PolarHBondContact N-O 2.94Å; C309-K311 PolarHBondContact O-N 3.37Å; K311-F313 HydrophobicContact CB-CE2 3.7Å; K311-F313 HydrophobicContact CB-CZ 3.86Å
312V74.1Confident74.7Confident63 Ų6365.4 Ų65.438%0.38238%0.38SS..EExtended strand (participates in β ladder)trans-124133.5-175.3-146.10000111K300 P303 G310K300-V312 HydrophobicContact CB-CB 3.7Å; K300-V312 HydrophobicContact CB-CG1 3.49Å; K300-V312 VanDerWaalsContact CB-CG1 3.49Å; K300-V312 HydrophobicContact CG-CB 4.39Å; K300-V312 WeakPolarHBondContact CG-O 3.37Å; K300-V312 WeakPolarHBondContact O-CG1 3.44Å; P303-V312 HydrophobicContact CB-CG1 4.02Å; G310-V312 VanDerWaalsContact O-CG2 3.29Å; G310-V312 WeakPolarHBondContact O-CG2 3.4Å
313F70.8Confident75.4Confident44 Ų4467.8 Ų67.819%0.19339%0.39CS..EExtended strand (participates in β ladder)trans-121.1145.8-169.9-58.3-93.2000113K300 F302 K311 R315 N318 L319 H322K300-F313 CarbonylContact C-O 3.57Å; K300-F313 WeakPolarHBondContact CA-O 3.4Å; F302-F313 HydrophobicContact CB-CB 4.32Å; F302-F313 WeakPolarHBondContact CB-O 3.24Å; F302-F313 PolarHBondContact N-O 2.88Å; F302-F313 VanDerWaalsContact N-O 3.07Å; F302-F313 PolarHBondContact O-N 2.85Å; K311-F313 HydrophobicContact CB-CE2 3.7Å; K311-F313 HydrophobicContact CB-CZ 3.86Å; F313-R315 VanDerWaalsContact C-N 3.35Å; F313-N318 HydrophobicContact CB-CB 4.14Å; F313-N318 HydrophobicContact CD1-CB 3.76Å; F313-N318 HydrophobicContact CG-CB 4.23Å; F313-L319 HydrophobicContact CB-CB 4.5Å; F313-L319 HydrophobicContact CD2-CB 4.31Å; F313-L319 HydrophobicContact CD2-CD1 4.31Å; F313-H322 HydrophobicContact CE1-CB 4.13Å; F313-H322 HydrophobicContact CE2-CB 4.01Å; F313-H322 AromaticContact CE2-CD2 3.18Å; F313-H322 WeakPolarHBondContact CE2-CD2 3.22Å; F313-H322 AromaticContact CE2-CG 3.72Å; F313-H322 HydrophobicContact CZ-CB 3.61Å; F313-H322 AromaticContact CZ-CD2 3.33Å; F313-H322 WeakPolarHBondContact CZ-CD2 3.27Å; F313-H322 AromaticContact CZ-CG 3.39Å
314A67.9Low75.8Confident31 Ų3167.5 Ų67.526%0.25638%0.383SS..SBendtrans-76.4-17.8176.500000114.3R294R294-A314 PolarHBondContact NH1-O 3.41Å; R294-A314 VanDerWaalsContact NH1-O 3.15Å
315R69.5Low75.8Confident127 Ų12771 Ų7148%0.47940%0.404SS..SBendtrans-132.7139.3-176-52.5-169.9-54.5-1674.4112.1F313 E317 N318 L319F313-R315 VanDerWaalsContact C-N 3.35Å; R315-E317 VanDerWaalsContact C-N 3.33Å; R315-E317 PolarHBondContact O-N 3.26Å; R315-N318 HydrophobicContact CB-CB 4.44Å; R315-N318 VanDerWaalsContact CZ-OD1 3.29Å; R315-N318 PolarHBondContact NE-OD1 3.15Å; R315-N318 PolarHBondContact NH2-OD1 3.07Å; R315-N318 WeakPolarHBondContact O-CB 3.13Å; R315-N318 PolarHBondContact O-N 2.67Å; R315-N318 VanDerWaalsContact O-N 3.16Å; R315-L319 PolarHBondContact O-N 3.08Å
316S74.8Confident76.2Confident70 Ų7070.6 Ų70.649%0.4940%0.395SS..Hα-helixtrans-59.4-39.6176.749.30000112.8F302 N318 L319 K320F302-S316 VanDerWaalsContact CD2-N 3.28Å; S316-N318 VanDerWaalsContact C-N 3.31Å; S316-N318 PolarHBondContact O-N 2.76Å; S316-L319 CarbonylContact O-C 3.48Å; S316-L319 WeakPolarHBondContact O-CB 3.38Å; S316-L319 PolarHBondContact O-N 3.13Å; S316-L319 VanDerWaalsContact O-N 3.16Å; S316-K320 PolarHBondContact O-N 3.22Å
317E75.4Confident76.4Confident97 Ų9769.8 Ų69.845%0.45340%0.399SS..Hα-helixtrans-62.8-37.2177.2-164.758.6-138.800112.1R315 K320 I321R315-E317 VanDerWaalsContact C-N 3.33Å; R315-E317 PolarHBondContact O-N 3.26Å; E317-K320 PolarHBondContact O-N 2.91Å; E317-I321 HydrophobicContact CG-CD1 4.26Å; E317-I321 WeakPolarHBondContact O-CB 3.34Å; E317-I321 WeakPolarHBondContact O-CG1 3.39Å; E317-I321 PolarHBondContact O-N 3.23Å
318N77.6Confident76.5Confident50 Ų5067.5 Ų67.527%0.26739%0.393SS..Hα-helixtrans-65.9-41.4175-64.713.9000110.6F313 R315 S316 I321 H322F313-N318 HydrophobicContact CB-CB 4.14Å; F313-N318 HydrophobicContact CD1-CB 3.76Å; F313-N318 HydrophobicContact CG-CB 4.23Å; R315-N318 HydrophobicContact CB-CB 4.44Å; R315-N318 VanDerWaalsContact CZ-OD1 3.29Å; R315-N318 PolarHBondContact NE-OD1 3.15Å; R315-N318 PolarHBondContact NH2-OD1 3.07Å; R315-N318 WeakPolarHBondContact O-CB 3.13Å; R315-N318 PolarHBondContact O-N 2.67Å; R315-N318 VanDerWaalsContact O-N 3.16Å; S316-N318 VanDerWaalsContact C-N 3.31Å; S316-N318 PolarHBondContact O-N 2.76Å; N318-I321 PolarHBondContact O-N 3.08Å; N318-H322 VanDerWaalsContact O-CB 3.31Å; N318-H322 WeakPolarHBondContact O-CB 3.22Å; N318-H322 PolarHBondContact O-N 2.98Å
319L80.3Confident76.6Confident22 Ų2267.6 Ų67.612%0.11537%0.368CS..Hα-helixtrans-63.3-42173.6171.661.1000111.4F302 P303 C304 F313 R315 S316 H322 K323F302-L319 HydrophobicContact CB-CB 4.04Å; F302-L319 HydrophobicContact CB-CD2 3.85Å; P303-L319 WeakPolarHBondContact O-CD2 3.26Å; C304-L319 HydrophobicContact CB-CD1 4.14Å; F313-L319 HydrophobicContact CB-CB 4.5Å; F313-L319 HydrophobicContact CD2-CB 4.31Å; F313-L319 HydrophobicContact CD2-CD1 4.31Å; R315-L319 PolarHBondContact O-N 3.08Å; S316-L319 CarbonylContact O-C 3.48Å; S316-L319 WeakPolarHBondContact O-CB 3.38Å; S316-L319 PolarHBondContact O-N 3.13Å; S316-L319 VanDerWaalsContact O-N 3.16Å; L319-H322 CarbonylContact O-C 3.38Å; L319-H322 PolarHBondContact O-N 3.02Å; L319-H322 VanDerWaalsContact O-N 3.15Å; L319-K323 HydrophobicContact CD1-CG 4.15Å; L319-K323 WeakPolarHBondContact O-CG 3.34Å; L319-K323 PolarHBondContact O-N 3.45Å
320K79.5Confident76.7Confident119 Ų11972.3 Ų72.352%0.51739%0.387SS..Hα-helixtrans-61.8-44.5177.9-171.2177.8-177.5178.90111.7S316 E317 H322 K323S316-K320 PolarHBondContact O-N 3.22Å; E317-K320 PolarHBondContact O-N 2.91Å; K320-H322 VanDerWaalsContact C-N 3.32Å; K320-H322 PolarHBondContact O-N 3.13Å; K320-K323 PolarHBondContact O-N 3.46Å
321I80.1Confident77Confident42 Ų4271.9 Ų71.922%0.21537%0.372CS..Hα-helixtrans-63-38.6173.1-69.6166.3000111.2E317 N318 R324 N345E317-I321 HydrophobicContact CG-CD1 4.26Å; E317-I321 WeakPolarHBondContact O-CB 3.34Å; E317-I321 WeakPolarHBondContact O-CG1 3.39Å; E317-I321 PolarHBondContact O-N 3.23Å; N318-I321 PolarHBondContact O-N 3.08Å; I321-R324 WeakPolarHBondContact O-CB 3.5Å; I321-R324 PolarHBondContact O-N 2.89Å; I321-N345 HydrophobicContact CB-CB 4.49Å; I321-N345 HydrophobicContact CD1-CB 3.8Å; I321-N345 HydrophobicContact CG1-CB 3.89Å; I321-N345 HydrophobicContact CG2-CB 3.8Å
322H82.7Confident77.1Confident16 Ų1669 Ų697%0.07436%0.359CS..Hα-helixtrans-72.5-34.7177.917445.7000113.6C304 C309 F313 N318 L319 K320 R324 T325 H326C304-H322 PolarHBondContact SG-CD2 3.15Å; C304-H322 PolarHBondContact SG-NE2 3.1Å; C309-H322 PolarHBondContact SG-NE2 2.81Å; F313-H322 HydrophobicContact CE1-CB 4.13Å; F313-H322 HydrophobicContact CE2-CB 4.01Å; F313-H322 AromaticContact CE2-CD2 3.18Å; F313-H322 WeakPolarHBondContact CE2-CD2 3.22Å; F313-H322 AromaticContact CE2-CG 3.72Å; F313-H322 HydrophobicContact CZ-CB 3.61Å; F313-H322 AromaticContact CZ-CD2 3.33Å; F313-H322 WeakPolarHBondContact CZ-CD2 3.27Å; F313-H322 AromaticContact CZ-CG 3.39Å; N318-H322 VanDerWaalsContact O-CB 3.31Å; N318-H322 WeakPolarHBondContact O-CB 3.22Å; N318-H322 PolarHBondContact O-N 2.98Å; L319-H322 CarbonylContact O-C 3.38Å; L319-H322 PolarHBondContact O-N 3.02Å; L319-H322 VanDerWaalsContact O-N 3.15Å; K320-H322 VanDerWaalsContact C-N 3.32Å; K320-H322 PolarHBondContact O-N 3.13Å; H322-R324 PolarHBondContact O-N 2.86Å; H322-T325 PolarHBondContact CE1-OG1 2.94Å; H322-T325 PolarHBondContact ND1-OG1 3.47Å; H322-T325 PolarHBondContact O-N 2.96Å; H322-T325 PolarHBondContact O-OG1 3.4Å; H322-H326 AromaticContact CD2-NE2 3.52Å; H322-H326 AromaticContact CE1-CD2 3.77Å; H322-H326 AromaticContact CE1-NE2 2.73Å; H322-H326 PolarHBondContact CE1-NE2 3.31Å; H322-H326 AromaticContact ND1-NE2 3.86Å; H322-H326 AromaticContact NE2-CD2 3.81Å; H322-H326 AromaticContact NE2-NE2 2.4Å; H322-H326 PolarHBondContact NE2-NE2 3.08Å
323K81.4Confident77.5Confident98 Ų9871.9 Ų71.943%0.42637%0.367SS..Hα-helixtrans-55.2-36.6173.7-77.3-175.1176.3-166.40111.6L319 K320 T325 H326 T327L319-K323 HydrophobicContact CD1-CG 4.15Å; L319-K323 WeakPolarHBondContact O-CG 3.34Å; L319-K323 PolarHBondContact O-N 3.45Å; K320-K323 PolarHBondContact O-N 3.46Å; K323-T325 PolarHBondContact O-N 3.34Å; K323-H326 WeakPolarHBondContact O-CB 3.26Å; K323-H326 PolarHBondContact O-N 3.47Å; K323-T327 PolarHBondContact O-N 3.08Å; K323-T327 VanDerWaalsContact O-N 3.11Å
324R81.2Confident78.1Confident47 Ų4770 Ų7018%0.17736%0.359CS..Hα-helixtrans-64-22.1173.7-65.5-171.9174.5136.41.7115.1I321 H322 H326 T327 G328 E329 A344I321-R324 WeakPolarHBondContact O-CB 3.5Å; I321-R324 PolarHBondContact O-N 2.89Å; H322-R324 PolarHBondContact O-N 2.86Å; R324-H326 PolarHBondContact O-N 3.12Å; R324-T327 WeakPolarHBondContact CA-OG1 3.5Å; R324-G328 CarbonylContact O-C 3.53Å; R324-G328 WeakPolarHBondContact O-CA 3.18Å; R324-G328 PolarHBondContact O-N 3.31Å; R324-E329 HydrophobicContact CB-CB 3.91Å; R324-E329 HydrophobicContact CG-CB 3.76Å; R324-E329 IonicContact NE-OE2 3.16Å; R324-E329 PolarHBondContact NE-OE2 3.04Å; R324-E329 PolarHBondContact O-N 3.34Å; R324-A344 HydrophobicContact CB-CB 3.99Å; R324-A344 WeakPolarHBondContact CD-O 3.5Å; R324-A344 PolarHBondContact NH1-O 2.4Å
325T79.5Confident78.8Confident88 Ų8874.7 Ų74.754%0.5438%0.375SS..Hα-helixtrans-76.6-11.3172.471.30000112.6H322 K323H322-T325 PolarHBondContact CE1-OG1 2.94Å; H322-T325 PolarHBondContact ND1-OG1 3.47Å; H322-T325 PolarHBondContact O-N 2.96Å; H322-T325 PolarHBondContact O-OG1 3.4Å; K323-T325 PolarHBondContact O-N 3.34Å
326H80Confident79.1Confident68 Ų6873.7 Ų73.732%0.31538%0.375SS..Hα-helixtrans-96.3-40.6170.6-65.2-64.7000112.2C304 F306 C309 H322 K323 R324 G328C304-H326 PolarHBondContact SG-NE2 2.97Å; F306-H326 AromaticContact CD1-CE1 3.69Å; F306-H326 AromaticContact CD1-ND1 3.52Å; F306-H326 HydrophobicContact CD2-CB 3.84Å; F306-H326 AromaticContact CD2-CG 3.9Å; F306-H326 AromaticContact CE1-ND1 3.91Å; F306-H326 HydrophobicContact CE2-CB 4.15Å; F306-H326 HydrophobicContact CG-CB 4.16Å; F306-H326 AromaticContact CG-CD2 3.95Å; F306-H326 AromaticContact CG-CG 3.68Å; F306-H326 AromaticContact CG-ND1 3.65Å; C309-H326 WeakPolarHBondContact CB-CE1 3.42Å; C309-H326 WeakPolarHBondContact CB-NE2 3.24Å; C309-H326 PolarHBondContact SG-CE1 3.07Å; C309-H326 PolarHBondContact SG-NE2 3.39Å; H322-H326 AromaticContact CD2-NE2 3.52Å; H322-H326 AromaticContact CE1-CD2 3.77Å; H322-H326 AromaticContact CE1-NE2 2.73Å; H322-H326 PolarHBondContact CE1-NE2 3.31Å; H322-H326 AromaticContact ND1-NE2 3.86Å; H322-H326 AromaticContact NE2-CD2 3.81Å; H322-H326 AromaticContact NE2-NE2 2.4Å; H322-H326 PolarHBondContact NE2-NE2 3.08Å; K323-H326 WeakPolarHBondContact O-CB 3.26Å; K323-H326 PolarHBondContact O-N 3.47Å; R324-H326 PolarHBondContact O-N 3.12Å; H326-G328 VanDerWaalsContact C-N 3.25Å; H326-G328 PolarHBondContact O-N 2.86Å
327T77.2Confident79.1Confident87 Ų8777.6 Ų77.653%0.53439%0.385SS..Hα-helixtrans-78.7-6.1176.760.80000113.7K323 R324 E329K323-T327 PolarHBondContact O-N 3.08Å; K323-T327 VanDerWaalsContact O-N 3.11Å; R324-T327 WeakPolarHBondContact CA-OG1 3.5Å; T327-E329 WeakPolarHBondContact CB-OE1 3.37Å; T327-E329 PolarHBondContact O-N 3.5Å; T327-E329 VanDerWaalsContact O-N 3.16Å; T327-E329 VanDerWaalsContact OG1-CD 3.3Å; T327-E329 WeakPolarHBondContact OG1-CG 3.41Å; T327-E329 PolarHBondContact OG1-OE1 3.12Å
328G74.3Confident79.2Confident49 Ų4976.7 Ų76.751%0.50540%0.402SS..  trans72.7-3.4-175.600000114.6R324 H326 K330R324-G328 CarbonylContact O-C 3.53Å; R324-G328 WeakPolarHBondContact O-CA 3.18Å; R324-G328 PolarHBondContact O-N 3.31Å; H326-G328 VanDerWaalsContact C-N 3.25Å; H326-G328 PolarHBondContact O-N 2.86Å; G328-K330 PolarHBondContact O-N 3.42Å
329E76.4Confident79.4Confident94 Ų9475.1 Ų75.144%0.43940%0.395SS..  trans-53.9117.7-177.9-85.1170.3-114.200112.7R324 T327 P331R324-E329 HydrophobicContact CB-CB 3.91Å; R324-E329 HydrophobicContact CG-CB 3.76Å; R324-E329 IonicContact NE-OE2 3.16Å; R324-E329 PolarHBondContact NE-OE2 3.04Å; R324-E329 PolarHBondContact O-N 3.34Å; T327-E329 WeakPolarHBondContact CB-OE1 3.37Å; T327-E329 PolarHBondContact O-N 3.5Å; T327-E329 VanDerWaalsContact O-N 3.16Å; T327-E329 VanDerWaalsContact OG1-CD 3.3Å; T327-E329 WeakPolarHBondContact OG1-CG 3.41Å; T327-E329 PolarHBondContact OG1-OE1 3.12Å; E329-P331 WeakPolarHBondContact O-CD 3.38Å
330K78.7Confident79.3Confident116 Ų11681.5 Ų81.550%0.50443%0.429SS..  trans-124.180.2172.2-68.6162.4171.9-179.30109.8G328 F332 R342 F343G328-K330 PolarHBondContact O-N 3.42Å; K330-F332 VanDerWaalsContact C-N 3.32Å; K330-F332 PolarHBondContact O-N 3.16Å; K330-R342 HydrophobicContact CB-CB 3.52Å; K330-R342 HydrophobicContact CD-CB 4.3Å; K330-R342 WeakPolarHBondContact CD-O 3.35Å; K330-R342 HydrophobicContact CG-CB 4.45Å; K330-R342 PolarHBondContact O-NE 2.74Å; K330-R342 PolarHBondContact O-NH2 3.4Å; K330-R342 VanDerWaalsContact O-NH2 3.12Å; K330-F343 CarbonylContact C-O 3.49Å; K330-F343 WeakPolarHBondContact CA-O 3.23Å
331P80.2Confident79.3Confident61 Ų6182.9 Ų82.940%0.39643%0.431SS..  trans-68.7-30.6-176.4-19.833.4000113E329 K333 F343E329-P331 WeakPolarHBondContact O-CD 3.38Å; P331-K333 PolarHBondContact O-N 2.95Å; P331-F343 WeakPolarHBondContact CD-O 3.37Å
332F78Confident79.4Confident60 Ų6087.9 Ų87.926%0.26345%0.447SS..EExtended strand (participates in β ladder)trans-90.589.6-171.6-57.5-80.4000110.1K330 R342 F343 R349K330-F332 VanDerWaalsContact C-N 3.32Å; K330-F332 PolarHBondContact O-N 3.16Å; F332-R342 CarbonylContact O-C 3.59Å; F332-R342 WeakPolarHBondContact O-CA 3.35Å; F332-F343 HydrophobicContact CB-CB 4.32Å; F332-F343 WeakPolarHBondContact CD2-O 3.36Å; F332-F343 PolarHBondContact N-O 2.91Å; F332-F343 VanDerWaalsContact N-O 3.14Å; F332-F343 PolarHBondContact O-N 2.95Å; F332-R349 HydrophobicContact CB-CB 4.21Å
333K81.5Confident79.2Confident124 Ų12489.1 Ų89.154%0.53945%0.453SS..EExtended strand (participates in β ladder)trans-63.6150.1167.170.1155.5-171.2161.30110.8P331 R342 R349P331-K333 PolarHBondContact O-N 2.95Å; K333-R342 HydrophobicContact CB-CG 4.19Å; K333-R349 WeakPolarHBondContact O-CD 3.29Å
334C84.7Confident79.1Confident4 Ų485.3 Ų85.33%0.02744%0.439CS..  trans-59.7157.2161.9-162.50000109.8C339 R341 M353 H356C334-C339 HydrophobicContact CB-CB 4.23Å; C334-C339 VanDerWaalsContact CB-O 3.3Å; C334-C339 WeakPolarHBondContact CB-O 3Å; C334-R341 WeakPolarHBondContact CB-O 3.18Å; C334-R341 PolarHBondContact N-O 3.3Å; C334-M353 PolarHBondContact SG-SD 3.22Å; C334-H356 VanDerWaalsContact SG-CD2 3.51Å; C334-H356 PolarHBondContact SG-NE2 3.4Å
335E81Confident79.1Confident130 Ų13084 Ų8461%0.60744%0.436SS*.SBendtrans-114.28.4-174.8-150160157.400111.2R349 M353E335-R349 IonicContact OE2-CZ 3.71Å; E335-R349 IonicContact OE2-NH1 3.36Å; E335-R349 PolarHBondContact OE2-NH1 3.4Å; E335-R349 IonicContact OE2-NH2 2.71Å; E335-M353 HydrophobicContact CB-CE 4.14Å
336F77.4Confident79.2Confident105 Ų10582.3 Ų82.346%0.46143%0.427SS..SBendtrans-96.5121.4172.3-170.5-92.3000108.4C339 M353 H356F336-C339 HydrophobicContact CB-CB 4.43Å; F336-C339 HydrophobicContact CD1-CB 4.39Å; F336-C339 WeakPolarHBondContact O-CB 3.3Å; F336-C339 PolarHBondContact O-N 2.83Å; F336-C339 VanDerWaalsContact O-N 3.07Å; F336-M353 HydrophobicContact CB-CE 4.37Å; F336-H356 HydrophobicContact CB-CB 4.29Å; F336-H356 HydrophobicContact CD1-CB 4.47Å; F336-H356 AromaticContact CD1-CG 3.95Å; F336-H356 AromaticContact CD1-ND1 3.63Å; F336-H356 HydrophobicContact CD2-CB 3.69Å; F336-H356 AromaticContact CD2-CG 3.96Å; F336-H356 HydrophobicContact CE2-CB 4.08Å; F336-H356 HydrophobicContact CG-CB 3.89Å; F336-H356 AromaticContact CG-CD2 3.92Å; F336-H356 AromaticContact CG-CG 3.61Å; F336-H356 AromaticContact CG-ND1 3.81Å
337E74.5Confident79.3Confident152 Ų15282.7 Ų82.771%0.7144%0.438SS*.THydrogen-bonded Turntrans-62.4136.1178.7-65.2-55.2133.900110.5
338G77.6Confident79.4Confident79 Ų7981.3 Ų81.381%0.81443%0.427SS*.THydrogen-bonded Turntrans82.611.6-167.400000115.3
339C80.6Confident79.9Confident16 Ų1681.8 Ų81.811%0.10841%0.414CS..  trans-128.291.9174-161.70000115C334 F336 R341 H352 H356C334-C339 HydrophobicContact CB-CB 4.23Å; C334-C339 VanDerWaalsContact CB-O 3.3Å; C334-C339 WeakPolarHBondContact CB-O 3Å; F336-C339 HydrophobicContact CB-CB 4.43Å; F336-C339 HydrophobicContact CD1-CB 4.39Å; F336-C339 WeakPolarHBondContact O-CB 3.3Å; F336-C339 PolarHBondContact O-N 2.83Å; F336-C339 VanDerWaalsContact O-N 3.07Å; C339-R341 PolarHBondContact O-N 3.16Å; C339-H352 PolarHBondContact SG-NE2 3.08Å; C339-H356 WeakPolarHBondContact CB-CE1 3.25Å; C339-H356 WeakPolarHBondContact CB-NE2 3.36Å; C339-H356 PolarHBondContact SG-CE1 2.87Å; C339-H356 PolarHBondContact SG-NE2 3.45Å
340D79.5Confident80.1Confident156 Ų15684.5 Ų84.583%0.83442%0.424SS*.  trans-70.916.5177.6-60.1-69.8000115.8R342D340-R342 PolarHBondContact O-N 3.23Å
341R79.9Confident80.1Confident149 Ų14984.1 Ų84.156%0.56242%0.422SS*.  trans-71.9113.6-178.8-74.4-176.9172.2-175.62.1110.9C334 C339 F343 H352C334-R341 WeakPolarHBondContact CB-O 3.18Å; C334-R341 PolarHBondContact N-O 3.3Å; C339-R341 PolarHBondContact O-N 3.16Å; R341-F343 HydrophobicContact CB-CE2 3.76Å; R341-F343 HydrophobicContact CB-CZ 3.96Å; R341-F343 VanDerWaalsContact O-CE2 3.28Å; R341-F343 WeakPolarHBondContact O-CE2 3.44Å; R341-H352 WeakPolarHBondContact CD-NE2 3.31Å
342R81.8Confident80.3Confident146 Ų14681.9 Ų81.955%0.55141%0.406SS*.EExtended strand (participates in β ladder)trans-106.6139.7178.1-56.1175.363.5155.92.6111.9K330 F332 K333 D340K330-R342 HydrophobicContact CB-CB 3.52Å; K330-R342 HydrophobicContact CD-CB 4.3Å; K330-R342 WeakPolarHBondContact CD-O 3.35Å; K330-R342 HydrophobicContact CG-CB 4.45Å; K330-R342 PolarHBondContact O-NE 2.74Å; K330-R342 PolarHBondContact O-NH2 3.4Å; K330-R342 VanDerWaalsContact O-NH2 3.12Å; F332-R342 CarbonylContact O-C 3.59Å; F332-R342 WeakPolarHBondContact O-CA 3.35Å; K333-R342 HydrophobicContact CB-CG 4.19Å; D340-R342 PolarHBondContact O-N 3.23Å
343F78.7Confident80.4Confident43 Ų4381.4 Ų81.419%0.18941%0.406CS..EExtended strand (participates in β ladder)trans-121.8149.1-174.3-59.4-93.7000112.3K330 P331 F332 R341 N345 D348 R349 H352K330-F343 CarbonylContact C-O 3.49Å; K330-F343 WeakPolarHBondContact CA-O 3.23Å; P331-F343 WeakPolarHBondContact CD-O 3.37Å; F332-F343 HydrophobicContact CB-CB 4.32Å; F332-F343 WeakPolarHBondContact CD2-O 3.36Å; F332-F343 PolarHBondContact N-O 2.91Å; F332-F343 VanDerWaalsContact N-O 3.14Å; F332-F343 PolarHBondContact O-N 2.95Å; R341-F343 HydrophobicContact CB-CE2 3.76Å; R341-F343 HydrophobicContact CB-CZ 3.96Å; R341-F343 VanDerWaalsContact O-CE2 3.28Å; R341-F343 WeakPolarHBondContact O-CE2 3.44Å; F343-N345 VanDerWaalsContact C-N 3.33Å; F343-D348 HydrophobicContact CD1-CB 4.04Å; F343-R349 HydrophobicContact CB-CB 4.25Å; F343-R349 HydrophobicContact CD2-CB 3.89Å; F343-R349 HydrophobicContact CD2-CG 4.29Å; F343-R349 HydrophobicContact CG-CB 4.15Å; F343-H352 HydrophobicContact CE1-CB 4.06Å; F343-H352 HydrophobicContact CE2-CB 4.06Å; F343-H352 AromaticContact CE2-CD2 3.37Å; F343-H352 WeakPolarHBondContact CE2-CD2 3.18Å; F343-H352 AromaticContact CE2-CG 3.96Å; F343-H352 HydrophobicContact CZ-CB 3.51Å; F343-H352 AromaticContact CZ-CD2 3.31Å; F343-H352 WeakPolarHBondContact CZ-CD2 3.23Å; F343-H352 AromaticContact CZ-CG 3.48Å; F343-H352 VanDerWaalsContact CZ-CG 3.48Å
344A79.3Confident80.1Confident18 Ų1879 Ų7915%0.14940%0.396CS..SBendtrans-76.7-18.1177.100000113.5R324R324-A344 HydrophobicContact CB-CB 3.99Å; R324-A344 WeakPolarHBondContact CD-O 3.5Å; R324-A344 PolarHBondContact NH1-O 2.4Å
345N80.6Confident79.7Confident20 Ų2082.5 Ų82.511%0.10742%0.418CS..SBendtrans-140.6154.5176.47276.5000112.3I321 F343 S347 D348 R349I321-N345 HydrophobicContact CB-CB 4.49Å; I321-N345 HydrophobicContact CD1-CB 3.8Å; I321-N345 HydrophobicContact CG1-CB 3.89Å; I321-N345 HydrophobicContact CG2-CB 3.8Å; F343-N345 VanDerWaalsContact C-N 3.33Å; N345-S347 PolarHBondContact O-N 3.29Å; N345-S347 WeakPolarHBondContact OD1-CB 3.45Å; N345-S347 PolarHBondContact OD1-N 3.22Å; N345-S347 VanDerWaalsContact OD1-N 3.12Å; N345-D348 PolarHBondContact ND2-OD2 2.94Å; N345-D348 PolarHBondContact OD1-N 3.44Å; N345-D348 PolarHBondContact OD1-OD2 3.45Å; N345-R349 PolarHBondContact O-N 2.86Å
346S81.4Confident79.6Confident51 Ų5178.7 Ų78.736%0.35740%0.4SS..Hα-helixtrans-70.1-29.1-177.7-166.20000113.3R349 K350S346-R349 WeakPolarHBondContact O-CB 3.47Å; S346-R349 PolarHBondContact O-N 2.87Å; S346-K350 PolarHBondContact O-N 2.94Å
347S81.4Confident79.3Confident77 Ų7777.5 Ų77.554%0.53840%0.401SS..Hα-helixtrans-64.9-41.3-179.1-52.90000112.3N345 K350 K351N345-S347 PolarHBondContact O-N 3.29Å; N345-S347 WeakPolarHBondContact OD1-CB 3.45Å; N345-S347 PolarHBondContact OD1-N 3.22Å; N345-S347 VanDerWaalsContact OD1-N 3.12Å; S347-K350 PolarHBondContact O-N 2.73Å; S347-K351 WeakPolarHBondContact O-CG 3.36Å; S347-K351 PolarHBondContact O-N 3.2Å
348D80.9Confident78.8Confident58 Ų5874.6 Ų74.631%0.3140%0.398SS..Hα-helixtrans-77.4-31178.9-64.7-26.1000111.9F343 N345 K351 H352F343-D348 HydrophobicContact CD1-CB 4.04Å; N345-D348 PolarHBondContact ND2-OD2 2.94Å; N345-D348 PolarHBondContact OD1-N 3.44Å; N345-D348 PolarHBondContact OD1-OD2 3.45Å; D348-K351 PolarHBondContact O-N 3.25Å; D348-K351 WeakPolarHBondContact OD1-CE 3.33Å; D348-K351 IonicContact OD1-NZ 2.73Å; D348-K351 PolarHBondContact OD1-NZ 3.43Å; D348-H352 WeakPolarHBondContact O-CB 3.33Å; D348-H352 PolarHBondContact O-N 3.03Å
349R83.9Confident78.2Confident59 Ų5975.4 Ų75.422%0.22338%0.383CS..Hα-helixtrans-57.3-50.5163.2179.8-177.770.9139.210.7110.7F332 K333 E335 F343 N345 S346 K351 H352 M353F332-R349 HydrophobicContact CB-CB 4.21Å; K333-R349 WeakPolarHBondContact O-CD 3.29Å; E335-R349 IonicContact OE2-CZ 3.71Å; E335-R349 IonicContact OE2-NH1 3.36Å; E335-R349 PolarHBondContact OE2-NH1 3.4Å; E335-R349 IonicContact OE2-NH2 2.71Å; F343-R349 HydrophobicContact CB-CB 4.25Å; F343-R349 HydrophobicContact CD2-CB 3.89Å; F343-R349 HydrophobicContact CD2-CG 4.29Å; F343-R349 HydrophobicContact CG-CB 4.15Å; N345-R349 PolarHBondContact O-N 2.86Å; S346-R349 WeakPolarHBondContact O-CB 3.47Å; S346-R349 PolarHBondContact O-N 2.87Å; R349-K351 VanDerWaalsContact C-N 3.33Å; R349-K351 PolarHBondContact O-N 3.43Å; R349-H352 WeakPolarHBondContact O-CA 3.18Å; R349-H352 WeakPolarHBondContact O-CB 3.31Å; R349-H352 PolarHBondContact O-N 3.11Å; R349-M353 HydrophobicContact CG-SD 4.4Å; R349-M353 WeakPolarHBondContact O-CG 3.33Å; R349-M353 PolarHBondContact O-N 3.23Å
350K81.3Confident77.5Confident151 Ų15180 Ų8066%0.65740%0.401SS*.Hα-helixtrans-62.7-38.5-178.5-173.5166.2-177.4169.80112.1S346 S347 M353 H354S346-K350 PolarHBondContact O-N 2.94Å; S347-K350 PolarHBondContact O-N 2.73Å; K350-M353 PolarHBondContact O-N 3.11Å; K350-H354 PolarHBondContact O-CD2 3.22Å
351K78.6Confident77.3Confident108 Ų10876.6 Ų76.647%0.4739%0.388SS..Hα-helixtrans-58.5-46.9169.6-69.5169.9-162.4164.40111.4S347 D348 R349 M353 H354 H373S347-K351 WeakPolarHBondContact O-CG 3.36Å; S347-K351 PolarHBondContact O-N 3.2Å; D348-K351 PolarHBondContact O-N 3.25Å; D348-K351 WeakPolarHBondContact OD1-CE 3.33Å; D348-K351 IonicContact OD1-NZ 2.73Å; D348-K351 PolarHBondContact OD1-NZ 3.43Å; R349-K351 VanDerWaalsContact C-N 3.33Å; R349-K351 PolarHBondContact O-N 3.43Å; K351-M353 VanDerWaalsContact C-N 3.3Å; K351-M353 PolarHBondContact O-N 3.43Å; K351-H354 PolarHBondContact O-CD2 3.18Å; K351-H354 PolarHBondContact O-N 3.17Å; K351-H373 PolarHBondContact O-CE1 2.72Å; K351-H373 VanDerWaalsContact O-CE1 3.26Å
352H83.9Confident77Confident13 Ų1374 Ų746%0.0638%0.378CS..Hα-helixtrans-62.3-32-179.7174.338.3000113.5C339 R341 F343 D348 R349 H354 V355 H356C339-H352 PolarHBondContact SG-NE2 3.08Å; R341-H352 WeakPolarHBondContact CD-NE2 3.31Å; F343-H352 HydrophobicContact CE1-CB 4.06Å; F343-H352 HydrophobicContact CE2-CB 4.06Å; F343-H352 AromaticContact CE2-CD2 3.37Å; F343-H352 WeakPolarHBondContact CE2-CD2 3.18Å; F343-H352 AromaticContact CE2-CG 3.96Å; F343-H352 HydrophobicContact CZ-CB 3.51Å; F343-H352 AromaticContact CZ-CD2 3.31Å; F343-H352 WeakPolarHBondContact CZ-CD2 3.23Å; F343-H352 AromaticContact CZ-CG 3.48Å; F343-H352 VanDerWaalsContact CZ-CG 3.48Å; D348-H352 WeakPolarHBondContact O-CB 3.33Å; D348-H352 PolarHBondContact O-N 3.03Å; R349-H352 WeakPolarHBondContact O-CA 3.18Å; R349-H352 WeakPolarHBondContact O-CB 3.31Å; R349-H352 PolarHBondContact O-N 3.11Å; H352-H354 PolarHBondContact O-N 3.29Å; H352-H354 VanDerWaalsContact O-N 3.12Å; H352-V355 VanDerWaalsContact O-CB 3.25Å; H352-V355 WeakPolarHBondContact O-CB 3.45Å; H352-V355 WeakPolarHBondContact O-CG2 3.4Å; H352-V355 PolarHBondContact O-N 2.93Å; H352-H356 AromaticContact CD2-NE2 3.47Å; H352-H356 PolarHBondContact CD2-NE2 3.46Å; H352-H356 AromaticContact CE1-NE2 3.09Å; H352-H356 PolarHBondContact CE1-NE2 3Å; H352-H356 AromaticContact NE2-NE2 2.55Å; H352-H356 PolarHBondContact NE2-NE2 3.49Å
353M79Confident76.8Confident51 Ų5172.3 Ų72.325%0.25138%0.38SS..Hα-helixtrans-55.4-32.6178.4-59.6-49.3-63.200113.1C334 E335 F336 R349 K350 K351 V355 H356 T357C334-M353 PolarHBondContact SG-SD 3.22Å; E335-M353 HydrophobicContact CB-CE 4.14Å; F336-M353 HydrophobicContact CB-CE 4.37Å; R349-M353 HydrophobicContact CG-SD 4.4Å; R349-M353 WeakPolarHBondContact O-CG 3.33Å; R349-M353 PolarHBondContact O-N 3.23Å; K350-M353 PolarHBondContact O-N 3.11Å; K351-M353 VanDerWaalsContact C-N 3.3Å; K351-M353 PolarHBondContact O-N 3.43Å; M353-V355 PolarHBondContact O-N 3.47Å; M353-V355 VanDerWaalsContact O-N 3.08Å; M353-H356 PolarHBondContact O-N 3.03Å; M353-T357 PolarHBondContact O-N 3.03Å; M353-T357 PolarHBondContact O-OG1 2.97Å
354H76.5Confident76.9Confident73 Ų7370.8 Ų70.834%0.33837%0.374SS..Hα-helixtrans-64.3-8.9174.7-62.1-76.8000114.6K350 K351 H352 H373K350-H354 PolarHBondContact O-CD2 3.22Å; K351-H354 PolarHBondContact O-CD2 3.18Å; K351-H354 PolarHBondContact O-N 3.17Å; H352-H354 PolarHBondContact O-N 3.29Å; H352-H354 VanDerWaalsContact O-N 3.12Å; H354-H373 AromaticContact CD2-CE1 3.96Å
355V76.5Confident76.9Confident78 Ų7879.4 Ų79.447%0.47341%0.409SS..Hα-helixtrans-78.1-30.9169.9-177.80000110.9H352 M353H352-V355 VanDerWaalsContact O-CB 3.25Å; H352-V355 WeakPolarHBondContact O-CB 3.45Å; H352-V355 WeakPolarHBondContact O-CG2 3.4Å; H352-V355 PolarHBondContact O-N 2.93Å; M353-V355 PolarHBondContact O-N 3.47Å; M353-V355 VanDerWaalsContact O-N 3.08Å
356H78Confident76.5Confident50 Ų5084 Ų8423%0.23143%0.43CS..Hα-helixtrans-86.3-38.8-178.8-63-54.1000112.5C334 F336 C339 H352 M353 S358C334-H356 VanDerWaalsContact SG-CD2 3.51Å; C334-H356 PolarHBondContact SG-NE2 3.4Å; F336-H356 HydrophobicContact CB-CB 4.29Å; F336-H356 HydrophobicContact CD1-CB 4.47Å; F336-H356 AromaticContact CD1-CG 3.95Å; F336-H356 AromaticContact CD1-ND1 3.63Å; F336-H356 HydrophobicContact CD2-CB 3.69Å; F336-H356 AromaticContact CD2-CG 3.96Å; F336-H356 HydrophobicContact CE2-CB 4.08Å; F336-H356 HydrophobicContact CG-CB 3.89Å; F336-H356 AromaticContact CG-CD2 3.92Å; F336-H356 AromaticContact CG-CG 3.61Å; F336-H356 AromaticContact CG-ND1 3.81Å; C339-H356 WeakPolarHBondContact CB-CE1 3.25Å; C339-H356 WeakPolarHBondContact CB-NE2 3.36Å; C339-H356 PolarHBondContact SG-CE1 2.87Å; C339-H356 PolarHBondContact SG-NE2 3.45Å; H352-H356 AromaticContact CD2-NE2 3.47Å; H352-H356 PolarHBondContact CD2-NE2 3.46Å; H352-H356 AromaticContact CE1-NE2 3.09Å; H352-H356 PolarHBondContact CE1-NE2 3Å; H352-H356 AromaticContact NE2-NE2 2.55Å; H352-H356 PolarHBondContact NE2-NE2 3.49Å; M353-H356 PolarHBondContact O-N 3.03Å; H356-S358 PolarHBondContact O-N 3.47Å; H356-S358 VanDerWaalsContact O-N 3.08Å
357T70.6Confident76.6Confident80 Ų8082.9 Ų82.949%0.49142%0.423SS..SBendtrans-65.7-11.6179.1-34.80000113.1M353 D359M353-T357 PolarHBondContact O-N 3.03Å; M353-T357 PolarHBondContact O-OG1 2.97Å; T357-D359 HydrophobicContact CG2-CB 4.43Å; T357-D359 VanDerWaalsContact CG2-OD2 3.23Å; T357-D359 WeakPolarHBondContact CG2-OD2 3.48Å; T357-D359 PolarHBondContact O-N 3.19Å
358S63.9Low76.4Confident91 Ų9186.8 Ų86.864%0.63644%0.437SS*.  trans59-11.8-175-61.90000116.5H356 K360H356-S358 PolarHBondContact O-N 3.47Å; H356-S358 VanDerWaalsContact O-N 3.08Å; S358-K360 PolarHBondContact O-N 3.44Å; S358-K360 VanDerWaalsContact O-N 3.13Å
359D65.2Low76.2Confident95 Ų9589.8 Ų89.851%0.50845%0.448SS..  trans-48.3111.6171-76.9-24.3000112.7T357 P361T357-D359 HydrophobicContact CG2-CB 4.43Å; T357-D359 VanDerWaalsContact CG2-OD2 3.23Å; T357-D359 WeakPolarHBondContact CG2-OD2 3.48Å; T357-D359 PolarHBondContact O-N 3.19Å; D359-P361 WeakPolarHBondContact O-CD 3.5Å
360K67.5Low76Confident114 Ų11489.2 Ų89.250%0.49645%0.453SS..  trans-112.662.1171.4-65.8170.9-175.2175.60111.1S358 Y362 S370 Y371 T372S358-K360 PolarHBondContact O-N 3.44Å; S358-K360 VanDerWaalsContact O-N 3.13Å; K360-Y362 PolarHBondContact O-N 2.8Å; K360-S370 VanDerWaalsContact CD-OG 3.24Å; K360-S370 WeakPolarHBondContact CD-OG 3.45Å; K360-Y371 CarbonylContact C-O 3.56Å; K360-Y371 VanDerWaalsContact C-O 3.23Å; K360-Y371 VanDerWaalsContact CA-O 3.26Å; K360-Y371 WeakPolarHBondContact CA-O 3.42Å; K360-T372 HydrophobicContact CG-CG2 3.87Å
361P74.5Confident75.7Confident84 Ų8484.8 Ų84.855%0.54543%0.432SS..  trans-70.3-6.9-171.131.2-37.4000113.8D359 L363D359-P361 WeakPolarHBondContact O-CD 3.5Å; P361-L363 PolarHBondContact O-N 3.15Å
362Y73.3Confident75.6Confident94 Ų9481.4 Ų81.437%0.36942%0.421SS..EExtended strand (participates in β ladder)trans-97.882.6-179.8-55.3-74.9000110.5K360 Y371 P374K360-Y362 PolarHBondContact O-N 2.8Å; Y362-Y371 WeakPolarHBondContact CB-O 3.44Å; Y362-Y371 WeakPolarHBondContact CD2-O 3.31Å; Y362-Y371 PolarHBondContact N-O 3.5Å; Y362-Y371 VanDerWaalsContact N-O 3.16Å; Y362-Y371 PolarHBondContact O-N 3.2Å; Y362-P374 HydrophobicContact CD1-CB 3.83Å; Y362-P374 HydrophobicContact CE1-CB 3.72Å; Y362-P374 HydrophobicContact CE1-CG 4.1Å; Y362-P374 HydrophobicContact CE2-CG 4.44Å; Y362-P374 HydrophobicContact CG-CB 4.3Å
363L77.5Confident75.2Confident111 Ų11182.8 Ų82.858%0.58143%0.427SS*.EExtended strand (participates in β ladder)trans-72.1139.6174.4-73.4155.9000111.8P361 L377P361-L363 PolarHBondContact O-N 3.15Å; L363-L377 WeakPolarHBondContact O-CD2 3.07Å
364C81.5Confident75.2Confident11 Ų1183.3 Ų83.37%0.07443%0.434CS..  trans-64.6140.9161.8170.40000109.8M366 C367 K369 L377 H380C364-M366 PolarHBondContact SG-N 2.87Å; C364-M366 VanDerWaalsContact SG-N 3.45Å; C364-C367 CarbonylContact C-O 3.47Å; C364-C367 HydrophobicContact CB-CB 4.34Å; C364-C367 WeakPolarHBondContact CB-O 3.49Å; C364-C367 WeakPolarHBondContact CB-SG 3.37Å; C364-C367 VanDerWaalsContact O-O 3.04Å; C364-C367 VanDerWaalsContact SG-CA 3.56Å; C364-C367 WeakPolarHBondContact SG-CB 3.33Å; C364-C367 PolarHBondContact SG-N 2.89Å; C364-C367 PolarHBondContact SG-O 2.46Å; C364-C367 CovalentContact SG-SG 2.06Å; C364-C367 PolarHBondContact SG-SG 2.81Å; C364-K369 HydrophobicContact CB-CB 4.26Å; C364-K369 WeakPolarHBondContact CB-O 3.28Å; C364-K369 PolarHBondContact N-O 2.98Å; C364-L377 HydrophobicContact CB-CD1 4.26Å; C364-H380 PolarHBondContact SG-NE2 3.29Å; C364-H380 VanDerWaalsContact SG-NE2 3.38Å
365K78.2Confident75.5Confident199 Ų19983.2 Ų83.287%0.86544%0.442SS*.SBendtrans-91.7-10.1174.7-74.1-164.7175.8-170.50113.7
366M72.4Confident75.8Confident115 Ų11581.5 Ų81.557%0.56743%0.433SS*.SBendtrans-110.23.9-177.1-58-64-67.100112.3C364 M381 H384C364-M366 PolarHBondContact SG-N 2.87Å; C364-M366 VanDerWaalsContact SG-N 3.45Å; M366-M381 HydrophobicContact CG-CE 4.03Å; M366-H384 HydrophobicContact CB-CB 4.45Å; M366-H384 WeakPolarHBondContact CB-ND1 3.46Å; M366-H384 HydrophobicContact CG-CB 4.32Å
367C83.3Confident76.2Confident29 Ų2980.7 Ų80.720%0.19643%0.43CS..SBendtrans-178160.6-168.569.60000111.3C364 K369 H380 H384C364-C367 CarbonylContact C-O 3.47Å; C364-C367 HydrophobicContact CB-CB 4.34Å; C364-C367 WeakPolarHBondContact CB-O 3.49Å; C364-C367 WeakPolarHBondContact CB-SG 3.37Å; C364-C367 VanDerWaalsContact O-O 3.04Å; C364-C367 VanDerWaalsContact SG-CA 3.56Å; C364-C367 WeakPolarHBondContact SG-CB 3.33Å; C364-C367 PolarHBondContact SG-N 2.89Å; C364-C367 PolarHBondContact SG-O 2.46Å; C364-C367 CovalentContact SG-SG 2.06Å; C364-C367 PolarHBondContact SG-SG 2.81Å; C367-K369 PolarHBondContact O-N 3.11Å; C367-H380 PolarHBondContact SG-NE2 3.47Å; C367-H384 PolarHBondContact SG-NE2 3.14Å
368D77.4Confident76.8Confident158 Ų15885.9 Ų85.985%0.84544%0.441SS*.SBendtrans-82.320-176-45.6-74.9000114.3S370D368-S370 PolarHBondContact O-N 3.29Å
369K78.1Confident77.8Confident122 Ų12289.3 Ų89.353%0.5345%0.445SS..  trans-83.7112.2-175.4-65.1175.2-178.8168.50110.7C364 C367 Y371C364-K369 HydrophobicContact CB-CB 4.26Å; C364-K369 WeakPolarHBondContact CB-O 3.28Å; C364-K369 PolarHBondContact N-O 2.98Å; C367-K369 PolarHBondContact O-N 3.11Å; K369-Y371 HydrophobicContact CB-CE2 3.73Å; K369-Y371 WeakPolarHBondContact O-CD2 3.46Å; K369-Y371 VanDerWaalsContact O-CE2 3.3Å; K369-Y371 WeakPolarHBondContact O-CE2 3.18Å
370S78.6Confident78.8Confident46 Ų4685.7 Ų85.732%0.32242%0.424SS..EExtended strand (participates in β ladder)trans-97141178.359.70000112.4K360 D368K360-S370 VanDerWaalsContact CD-OG 3.24Å; K360-S370 WeakPolarHBondContact CD-OG 3.45Å; D368-S370 PolarHBondContact O-N 3.29Å
371Y76Confident79.5Confident58 Ų5883.5 Ų83.523%0.22742%0.417CS..EExtended strand (participates in β ladder)trans-126.6146.8-175.4-64.7-88.1000112.3K360 Y362 K369 H373 L377 H380K360-Y371 CarbonylContact C-O 3.56Å; K360-Y371 VanDerWaalsContact C-O 3.23Å; K360-Y371 VanDerWaalsContact CA-O 3.26Å; K360-Y371 WeakPolarHBondContact CA-O 3.42Å; Y362-Y371 WeakPolarHBondContact CB-O 3.44Å; Y362-Y371 WeakPolarHBondContact CD2-O 3.31Å; Y362-Y371 PolarHBondContact N-O 3.5Å; Y362-Y371 VanDerWaalsContact N-O 3.16Å; Y362-Y371 PolarHBondContact O-N 3.2Å; K369-Y371 HydrophobicContact CB-CE2 3.73Å; K369-Y371 WeakPolarHBondContact O-CD2 3.46Å; K369-Y371 VanDerWaalsContact O-CE2 3.3Å; K369-Y371 WeakPolarHBondContact O-CE2 3.18Å; Y371-H373 VanDerWaalsContact C-N 3.33Å; Y371-L377 HydrophobicContact CD2-CB 4.19Å; Y371-L377 HydrophobicContact CD2-CD1 4.14Å; Y371-L377 HydrophobicContact CE2-CD1 4.47Å; Y371-L377 HydrophobicContact CG-CB 4.41Å; Y371-H380 HydrophobicContact CE1-CB 4.34Å; Y371-H380 HydrophobicContact CE2-CB 4.1Å; Y371-H380 AromaticContact CE2-CD2 3.27Å; Y371-H380 WeakPolarHBondContact CE2-CD2 3.33Å; Y371-H380 AromaticContact CE2-CG 3.84Å; Y371-H380 AromaticContact CZ-CD2 3.52Å; Y371-H380 AromaticContact CZ-CG 3.63Å; Y371-H380 PolarHBondContact OH-CD2 3.09Å
372T76.3Confident80Confident37 Ų3785.9 Ų85.923%0.22742%0.419CS..SBendtrans-77.2-16.1175.355.60000113.5K360K360-T372 HydrophobicContact CG-CG2 3.87Å
373H75.9Confident80.5Confident43 Ų4385 Ų8520%0.19942%0.423CS..SBendtrans-138.7141.4-175.8-68.1-17.7000112.6K351 H354 Y371 S375 S376 L377K351-H373 PolarHBondContact O-CE1 2.72Å; K351-H373 VanDerWaalsContact O-CE1 3.26Å; H354-H373 AromaticContact CD2-CE1 3.96Å; Y371-H373 VanDerWaalsContact C-N 3.33Å; H373-S375 VanDerWaalsContact C-N 3.26Å; H373-S375 PolarHBondContact O-N 2.86Å; H373-S376 WeakPolarHBondContact O-CB 3.24Å; H373-S376 PolarHBondContact O-N 2.77Å; H373-S376 VanDerWaalsContact O-N 3.09Å; H373-L377 PolarHBondContact O-N 2.74Å
374P78.9Confident80.7Confident62 Ų6281.6 Ų81.640%0.40340%0.404SS..Hα-helixtrans-71.5-22.1-178.729.6-33.4000112.4Y362 R378Y362-P374 HydrophobicContact CD1-CB 3.83Å; Y362-P374 HydrophobicContact CE1-CB 3.72Å; Y362-P374 HydrophobicContact CE1-CG 4.1Å; Y362-P374 HydrophobicContact CE2-CG 4.44Å; Y362-P374 HydrophobicContact CG-CB 4.3Å; P374-R378 WeakPolarHBondContact O-CB 3.49Å; P374-R378 PolarHBondContact O-N 3.02Å
375S82.7Confident80.3Confident70 Ų7088 Ų8849%0.4943%0.433SS..Hα-helixtrans-70.1-32.8171.449.40000112.5H373 K379H373-S375 VanDerWaalsContact C-N 3.26Å; H373-S375 PolarHBondContact O-N 2.86Å; S375-K379 WeakPolarHBondContact O-CG 3.12Å; S375-K379 PolarHBondContact O-N 3.32Å; S375-K379 VanDerWaalsContact O-N 3.08Å
376S82.7Confident79.6Confident43 Ų4383 Ų8330%0.30142%0.423SS..Hα-helixtrans-72-46.3174-57.10000110.6H373 R378 K379 H380H373-S376 WeakPolarHBondContact O-CB 3.24Å; H373-S376 PolarHBondContact O-N 2.77Å; H373-S376 VanDerWaalsContact O-N 3.09Å; S376-R378 PolarHBondContact O-N 3.26Å; S376-K379 PolarHBondContact O-N 3.32Å; S376-H380 WeakPolarHBondContact O-CB 3.49Å; S376-H380 PolarHBondContact O-N 2.61Å
377L85.2Confident79Confident32 Ų3280.3 Ų80.317%0.16842%0.415CS..Hα-helixtrans-56-48.2171.6174.759.6000111.2L363 C364 Y371 H373 K379 H380 M381L363-L377 WeakPolarHBondContact O-CD2 3.07Å; C364-L377 HydrophobicContact CB-CD1 4.26Å; Y371-L377 HydrophobicContact CD2-CB 4.19Å; Y371-L377 HydrophobicContact CD2-CD1 4.14Å; Y371-L377 HydrophobicContact CE2-CD1 4.47Å; Y371-L377 HydrophobicContact CG-CB 4.41Å; H373-L377 PolarHBondContact O-N 2.74Å; L377-K379 VanDerWaalsContact C-N 3.34Å; L377-K379 PolarHBondContact O-N 2.71Å; L377-H380 CarbonylContact O-C 3.36Å; L377-H380 WeakPolarHBondContact O-CA 3.46Å; L377-H380 WeakPolarHBondContact O-CB 3.3Å; L377-H380 PolarHBondContact O-N 2.76Å; L377-M381 HydrophobicContact CD1-CG 3.97Å; L377-M381 HydrophobicContact CD1-SD 4.05Å; L377-M381 HydrophobicContact CG-CG 4.29Å; L377-M381 WeakPolarHBondContact O-CG 3.5Å; L377-M381 PolarHBondContact O-N 2.84Å
378R84.7Confident77.7Confident189 Ų18983 Ų8371%0.71343%0.434SS*.Hα-helixtrans-61.7-37.8178.8-168.9-177.2-59.5175.10.1113.4P374 S376 H380P374-R378 WeakPolarHBondContact O-CB 3.49Å; P374-R378 PolarHBondContact O-N 3.02Å; S376-R378 PolarHBondContact O-N 3.26Å; R378-H380 VanDerWaalsContact C-N 3.32Å
379K83.5Confident76.3Confident164 Ų16485 Ų8571%0.71344%0.439SS*.Hα-helixtrans-64-38.8172.2-78.9-179.8175-168.70111.7S375 S376 L377 K382S375-K379 WeakPolarHBondContact O-CG 3.12Å; S375-K379 PolarHBondContact O-N 3.32Å; S375-K379 VanDerWaalsContact O-N 3.08Å; S376-K379 PolarHBondContact O-N 3.32Å; L377-K379 VanDerWaalsContact C-N 3.34Å; L377-K379 PolarHBondContact O-N 2.71Å; K379-K382 WeakPolarHBondContact O-CB 3.48Å
380H86.9Confident74.4Confident18 Ų1882.1 Ų82.18%0.08344%0.443CS..Hα-helixtrans-73.9-36.6-180168.547.5000113.3C364 C367 Y371 S376 L377 R378 K382 V383 H384C364-H380 PolarHBondContact SG-NE2 3.29Å; C364-H380 VanDerWaalsContact SG-NE2 3.38Å; C367-H380 PolarHBondContact SG-NE2 3.47Å; Y371-H380 HydrophobicContact CE1-CB 4.34Å; Y371-H380 HydrophobicContact CE2-CB 4.1Å; Y371-H380 AromaticContact CE2-CD2 3.27Å; Y371-H380 WeakPolarHBondContact CE2-CD2 3.33Å; Y371-H380 AromaticContact CE2-CG 3.84Å; Y371-H380 AromaticContact CZ-CD2 3.52Å; Y371-H380 AromaticContact CZ-CG 3.63Å; Y371-H380 PolarHBondContact OH-CD2 3.09Å; S376-H380 WeakPolarHBondContact O-CB 3.49Å; S376-H380 PolarHBondContact O-N 2.61Å; L377-H380 CarbonylContact O-C 3.36Å; L377-H380 WeakPolarHBondContact O-CA 3.46Å; L377-H380 WeakPolarHBondContact O-CB 3.3Å; L377-H380 PolarHBondContact O-N 2.76Å; R378-H380 VanDerWaalsContact C-N 3.32Å; H380-K382 PolarHBondContact O-N 2.89Å; H380-V383 WeakPolarHBondContact O-CA 2.92Å; H380-V383 VanDerWaalsContact O-CB 3.24Å; H380-V383 WeakPolarHBondContact O-CB 3.43Å; H380-V383 PolarHBondContact O-N 2.55Å; H380-H384 AromaticContact CE1-CD2 3.44Å; H380-H384 PolarHBondContact CE1-CD2 3.17Å; H380-H384 VanDerWaalsContact CE1-CD2 3.44Å; H380-H384 AromaticContact CE1-NE2 3.21Å; H380-H384 PolarHBondContact CE1-NE2 2.84Å; H380-H384 AromaticContact NE2-CD2 3.68Å; H380-H384 AromaticContact NE2-NE2 3.42Å; H380-H384 PolarHBondContact NE2-NE2 3.47Å
381M81.9Confident72.8Confident68 Ų6885.1 Ų85.134%0.33546%0.464SS..Hα-helixtrans-58-30.3174.4-69.5-57.6-59.600112.2M366 L377 V383 H384 E385M366-M381 HydrophobicContact CG-CE 4.03Å; L377-M381 HydrophobicContact CD1-CG 3.97Å; L377-M381 HydrophobicContact CD1-SD 4.05Å; L377-M381 HydrophobicContact CG-CG 4.29Å; L377-M381 WeakPolarHBondContact O-CG 3.5Å; L377-M381 PolarHBondContact O-N 2.84Å; M381-V383 PolarHBondContact O-N 3.07Å; M381-H384 WeakPolarHBondContact O-CB 3.5Å; M381-H384 PolarHBondContact O-N 2.88Å; M381-H384 VanDerWaalsContact O-N 3.17Å; M381-E385 PolarHBondContact O-N 3.24Å
382K84.6Confident70.8Confident135 Ų13591 Ų9159%0.58749%0.494SS*.Hα-helixtrans-63.2-26.3171.3-65.4-164.1164.7-129.70114K379 H380 E385 S386K379-K382 WeakPolarHBondContact O-CB 3.48Å; H380-K382 PolarHBondContact O-N 2.89Å; K382-E385 WeakPolarHBondContact O-CB 3.36Å; K382-E385 PolarHBondContact O-N 3.12Å; K382-S386 PolarHBondContact O-N 2.97Å; K382-S386 PolarHBondContact O-OG 3.27Å; K382-S386 VanDerWaalsContact O-OG 3.13Å
383V84.2Confident68.9Low75 Ų7594.6 Ų94.646%0.45552%0.518SS..Hα-helixtrans-69-43.2174.2-173.60000109.3H380 M381 S386 S387H380-V383 WeakPolarHBondContact O-CA 2.92Å; H380-V383 VanDerWaalsContact O-CB 3.24Å; H380-V383 WeakPolarHBondContact O-CB 3.43Å; H380-V383 PolarHBondContact O-N 2.55Å; M381-V383 PolarHBondContact O-N 3.07Å; V383-S386 WeakPolarHBondContact CA-OG 3.37Å; V383-S386 CarbonylContact O-C 3.55Å; V383-S386 PolarHBondContact O-N 3.36Å; V383-S386 PolarHBondContact O-OG 3.16Å; V383-S387 VanDerWaalsContact O-CB 3.3Å; V383-S387 WeakPolarHBondContact O-CB 3.48Å; V383-S387 PolarHBondContact O-N 3.05Å; V383-S387 PolarHBondContact O-OG 2.71Å
384H81.2Confident67.1Low39 Ų3998.1 Ų98.118%0.18155%0.547CS..Hα-helixtrans-62.5-45.5171.4-73.4-81.6000111.7M366 C367 H380 M381 S386 S387 S388M366-H384 HydrophobicContact CB-CB 4.45Å; M366-H384 WeakPolarHBondContact CB-ND1 3.46Å; M366-H384 HydrophobicContact CG-CB 4.32Å; C367-H384 PolarHBondContact SG-NE2 3.14Å; H380-H384 AromaticContact CE1-CD2 3.44Å; H380-H384 PolarHBondContact CE1-CD2 3.17Å; H380-H384 VanDerWaalsContact CE1-CD2 3.44Å; H380-H384 AromaticContact CE1-NE2 3.21Å; H380-H384 PolarHBondContact CE1-NE2 2.84Å; H380-H384 AromaticContact NE2-CD2 3.68Å; H380-H384 AromaticContact NE2-NE2 3.42Å; H380-H384 PolarHBondContact NE2-NE2 3.47Å; M381-H384 WeakPolarHBondContact O-CB 3.5Å; M381-H384 PolarHBondContact O-N 2.88Å; M381-H384 VanDerWaalsContact O-N 3.17Å; H384-S386 PolarHBondContact O-N 3.18Å; H384-S387 PolarHBondContact O-N 3.46Å; H384-S388 WeakPolarHBondContact O-CB 3.47Å; H384-S388 PolarHBondContact O-N 3.35Å; H384-S388 PolarHBondContact O-OG 2.74Å
385E73.9Confident65.5Low146 Ų146101 Ų10168%0.68257%0.566SS**Hα-helixtrans-52.2-39.5173.3-163.5176-164.500112.2M381 K382M381-E385 PolarHBondContact O-N 3.24Å; K382-E385 WeakPolarHBondContact O-CB 3.36Å; K382-E385 PolarHBondContact O-N 3.12Å
386S64.1Low63.4Low93 Ų93102.7 Ų102.765%0.6558%0.584SS**Hα-helixtrans-82.3-17.1174.862.40000115.9K382 V383 H384K382-S386 PolarHBondContact O-N 2.97Å; K382-S386 PolarHBondContact O-OG 3.27Å; K382-S386 VanDerWaalsContact O-OG 3.13Å; V383-S386 WeakPolarHBondContact CA-OG 3.37Å; V383-S386 CarbonylContact O-C 3.55Å; V383-S386 PolarHBondContact O-N 3.36Å; V383-S386 PolarHBondContact O-OG 3.16Å; H384-S386 PolarHBondContact O-N 3.18Å
387S59.3Low61.4Low59 Ų59105.6 Ų105.641%0.41361%0.611SS.*Hα-helixtrans-104.9-14.2-176.4-63.50000113.9V383 H384 Q389 G390V383-S387 VanDerWaalsContact O-CB 3.3Å; V383-S387 WeakPolarHBondContact O-CB 3.48Å; V383-S387 PolarHBondContact O-N 3.05Å; V383-S387 PolarHBondContact O-OG 2.71Å; H384-S387 PolarHBondContact O-N 3.46Å; S387-Q389 PolarHBondContact O-N 3.41Å; S387-G390 PolarHBondContact O-N 3.2Å
388S56.3Low59.3Low86 Ų86109.7 Ų109.760%0.60164%0.642SS**THydrogen-bonded Turntrans-65.91.5-179.9-710000115.4H384H384-S388 WeakPolarHBondContact O-CB 3.47Å; H384-S388 PolarHBondContact O-N 3.35Å; H384-S388 PolarHBondContact O-OG 2.74Å
389Q46.9Very low57.4Low201 Ų201106.3 Ų106.394%0.93965%0.647SS**THydrogen-bonded Turntrans-103.44.7169.5-65-166.9-5.200113.7S387S387-Q389 PolarHBondContact O-N 3.41Å
390G38.9Very low55.3Low60 Ų60102 Ų10262%0.61965%0.649SS**SBendtrans-144.141-166.800000116.1S387S387-G390 PolarHBondContact O-N 3.2Å
391S44.5Very low53.3Low110 Ų110111.7 Ų111.777%0.76969%0.687SS**  trans-154.272.8171-70.10000112.4
392Q34Very low51.3Low182 Ų182116.9 Ų116.985%0.8571%0.71SS**  trans-68.1135.3158.4-85.5-90.9-72.300109S394Q392-S394 PolarHBondContact O-N 3.19Å
393P37.8Very low49.4Very low111 Ų111115.3 Ų115.372%0.72172%0.716SS**  trans-75.9111.2171.630.3-31.6000109.8
394S37.8Very low47.5Very low118 Ų118117.1 Ų117.183%0.82573%0.732SS**PPolyproline II helixtrans-65127.7171.7-62.60000110.2Q392Q392-S394 PolarHBondContact O-N 3.19Å
395P44.3Very low46.3Very low122 Ų122122 Ų12279%0.79277%0.765SS**PPolyproline II helixtrans-75.4161.6-177.731.6-36000112.3
396A38.4Very low45.2Very low106 Ų106120.4 Ų120.488%0.87677%0.767SS**PPolyproline II helixtrans-67.8135.8173.200000111.3
397A40.7Very low44.7Very low103 Ų103121.9 Ų121.985%0.85178%0.775SS**  trans-111.4119.3171.100000109.5
398S42.2Very low43.8Very low119 Ų119125.1 Ų125.183%0.83279%0.792SS**  trans-115.196.8-172570000112.5
399S43.3Very low43.4Very low117 Ų117129 Ų12982%0.81880%0.804SS**  trans-176.1145.5163.351.50000109.8
400G40.2Very low43.4Very low73 Ų73124.8 Ų124.875%0.75379%0.792SS**  cis12262.1-6.900000115.4
401Y44.8Very low43.8Very low222 Ų222127 Ų12787%0.87180%0.798SS**  trans-160.1158.8151.660.6-83.6000113.4
402E40Very low44.5Very low178 Ų178127.1 Ų127.183%0.83280%0.796SS**  trans-84.6173.5179-80.6170.892.100112.4
403S44Very low44.9Very low102 Ų102123.6 Ų123.671%0.71379%0.792SS**  cis-174.3-172.4-14.6175.30000107.4
404S45.7Very low45.3Very low113 Ų113123.8 Ų123.879%0.7979%0.791SS**  trans99.3155.7167.1-45.10000118.8
405T55.2Low45.6Very low141 Ų141124.9 Ų124.987%0.86579%0.788SS**  trans-125.1169.5-157.6370000114.4
406P51.8Low45.5Very low112 Ų112126.5 Ų126.573%0.72779%0.789SS**  trans-107175.7-165.241.5-36.5000115.7
407P53.1Low46Very low125 Ų125126.4 Ų126.481%0.81278%0.78SS**  trans-105.7168.1169.938.9-32000114.9
408T40.8Very low46Very low127 Ų127127.7 Ų127.778%0.77978%0.778SS**  trans-138.5138.3-170.7-55.30000113.2
409I47Very low45.9Very low167 Ų167127.8 Ų127.886%0.85677%0.773SS**  trans-150.8144170.7-55.9-178.5000107.3
410V46.7Very low45.8Very low113 Ų113127.5 Ų127.569%0.68577%0.771SS**  cis163.4109.4-31.7150.70000106.7
411S47Very low45.9Very low106 Ų106128.8 Ų128.874%0.74177%0.769SS**  trans54.4174.2135.5-53.40000123
412P58.9Low45.8Very low113 Ų113126.3 Ų126.373%0.73477%0.769SS**  cis-136.8-175.3-20.224.20.4000117.3
413S42.3Very low46.1Very low107 Ų107123 Ų12375%0.74877%0.767SS**  trans84.4160.6154.5-54.10000117.9
414T47Very low46.6Very low115 Ų115123.3 Ų123.371%0.70677%0.766SS**  cis-136.5147.41052.20000114.3
415D44.8Very low46.6Very low142 Ų142123.1 Ų123.176%0.75976%0.764SS**  28.5142.8126.7-45.2-37.7000122
416N41.1Very low46.1Very low155 Ų155121.7 Ų121.783%0.82976%0.76SS**  cis-167.7161.4-18.9-149.821.9000109.1
417P49.8Very low46Very low104 Ų104122.2 Ų122.268%0.67577%0.767SS**  trans-117.3170.5-169.642.3-33.8000116.7
418T40.9Very low45.3Very low131 Ų131120.4 Ų120.480%0.80476%0.762SS**  trans-159.6149.31618.70000115.9
419T40.5Very low45.8Very low120 Ų120121.5 Ų121.574%0.73677%0.768SS**  trans59.2116.3152.453.40000120.6
420S41Very low45.5Very low111 Ų111121.9 Ų121.978%0.77677%0.766SS**  89.3142.787.5-62.20000114
421S41.2Very low45.3Very low101 Ų101124.9 Ų124.971%0.70677%0.772SS**  cis-170.4-177.1-3.1480000111.5
422L42.6Very low45.1Very low169 Ų169125.9 Ų125.989%0.88577%0.774SS**  trans86.8157.1164.3-58.3169.4000119.4
423S46.2Very low44.2Very low110 Ų110125.5 Ų125.577%0.76978%0.78SS**  trans-172-161.4-159.864.70000108.5
424P55.4Low44.1Very low108 Ų108123.9 Ų123.970%0.70178%0.781SS**  cis-131.1-146.2-22.240.8-21.5000111.6
425S44.8Very low43.9Very low108 Ų108127.6 Ų127.676%0.75579%0.79SS**  trans76.3141.1167.476.10000117
426S45.2Very low43.6Very low111 Ų111126.2 Ų126.278%0.77679%0.791SS**  cis-159.8175-14.7-89.50000107.3
427S49.1Very low43.4Very low124 Ų124123.3 Ų123.387%0.86779%0.789SS**  cis-142.7-168.919-58.10000111
428A39.1Very low42.8Very low86 Ų86126.1 Ų126.171%0.71180%0.797SS**  trans-120.2149.7-177.700000115
429V51.7Low42.4Very low151 Ų151125.6 Ų125.692%0.91580%0.799SS**  trans-148.7126.7150.6-91.10000108.9
430H39.7Very low42.3Very low174 Ų174124.2 Ų124.281%0.80679%0.794SS**  trans-87.9149.6169.7-78.7-118.8000110
431H42.3Very low42.1Very low176 Ų176126.3 Ų126.382%0.81580%0.797SS**  trans-165.4112.7131.3-101.6-66000112.1
432T42.7Very low42Very low128 Ų128130.2 Ų130.279%0.78580%0.801SS**  trans33114.5148.251.60000120.2
433A40.4Very low41.7Very low104 Ų104127.3 Ų127.386%0.8679%0.787SS**  trans-73.2157.2163.800000112.7
434G39.6Very low41.3Very low74 Ų74129.1 Ų129.176%0.76378%0.783SS**  trans-138.979176.700000112.5
435H42.9Very low41Very low193 Ų193136 Ų13689%0.89480%0.795SS**  trans-94.3115.6169.5-105.2-107.4000109.5
436S39Very low40.8Very low113 Ų113141.2 Ų141.279%0.7980%0.8SS**  trans-130.685.3175.3-64.50000111
437A36.2Very low41.2Very low94 Ų94145.6 Ų145.678%0.77782%0.821SS**  trans-92.7116.8158.100000107.7
438L37.9Very low40.8Very low162 Ų162146.7 Ų146.785%0.84882%0.819SS**  trans-131.8110.7173.1-75.2177.1000109.5
439S33.1Very low40.9Very low121 Ų121149.8 Ų149.885%0.84683%0.825SS**  trans-128.890.1177.756.30000109.3
440S38.2Very low40.2Very low91 Ų91149.8 Ų149.864%0.63682%0.82SS**  trans-165.7129174.5570000111
441N37.4Very low40.3Very low155 Ų155148.4 Ų148.483%0.82982%0.821SS**  44.9147.1125.2-66.9-1.4000120.9
442F38.4Very low40.2Very low182 Ų182146.6 Ų146.680%0.79882%0.821SS**  cis-172.5-176.6-10.7-171.7-122.2000106.6
443N36.7Very low40Very low108 Ų108147.9 Ų147.958%0.57882%0.823SS**  trans65.9129.4-178.8-77.331.6000116.2
444E38.1Very low40Very low148 Ų148151 Ų15169%0.69282%0.821SS**  cis90.9101.941.7-173.8-172-172.800112.1
445W47.8Very low40Very low252 Ų252156.9 Ų156.996%0.95583%0.825SS**  trans-143.4121.5158.3-79.387.4000107.3
446Y41.1Very low39.7Very low218 Ų218153.9 Ų153.986%0.85582%0.819SS**  trans-142.8112.9179.8-146.9-63.8000109
447V52.9Low39.8Very low203 Ų203157.6 Ų157.6100%1.2382%0.822SS**  trans-146.20166.3-177.40000106.7

Retrieved 447 of 447 residues in 1044.1 ms (Link to these results)