A0A096NS36_PAPAN Loading...

Thyroid hormone receptor interactor 6

AlphaFold DB , UniProt , Accession A0A096NS36, Species PAPAN (Papio anubis, Olive baboon), Gene TRIP6, Length 476 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
1M36.3Very low37Very low235 Ų235153 Ų153100%1.15884%0.842SS**  0144.60-70.6159.865.700108
2S37.7Very low37.2Very low126 Ų126150.3 Ų150.388%0.88184%0.836SS**  trans58.3126167.6-52.10000118.5
3G35.7Very low37.5Very low65 Ų65153.2 Ų153.267%0.6784%0.84SS**  trans-95.1-167.817600000114.2
4P41.6Very low37.9Very low119 Ų119150.4 Ų150.477%0.77383%0.833SS**  trans-78.9151.2-173.932.6-36000113.5
5T35.8Very low38Very low137 Ų137147.5 Ų147.584%0.8484%0.836SS**  trans-109.6128.9172.3-57.60000110.1
6W33.6Very low37.8Very low230 Ų230153.9 Ų153.987%0.87184%0.843SS**  trans-99.1148.5175.7-81.186.4000111.7
7L34.6Very low37.9Very low155 Ų155150.2 Ų150.281%0.81284%0.838SS**  trans-134.7151.9161.5-79.4175.2000110.2
8P41.3Very low38.3Very low111 Ų111149 Ų14972%0.72184%0.837SS**PPolyproline II helixtrans-99.5157.4-159.137.5-36.7000115.6
9P39.8Very low38.4Very low129 Ų129151.8 Ų151.884%0.83884%0.843SS**PPolyproline II helixtrans-80.4162.4166.734.4-34.6000112.8
10K33.8Very low38.2Very low194 Ų194148.1 Ų148.184%0.84384%0.841SS**PPolyproline II helixtrans-85.5163.1-175-61.3-179.3177.5-1780114
11Q36.4Very low38.2Very low182 Ų182153 Ų15385%0.8585%0.846SS**  trans-133.8156.8157.4-75.6-65-48.700110.2
12P40.3Very low38.1Very low120 Ų120146.7 Ų146.778%0.77983%0.831SS**  trans-97174.9-167.6-2.625000115.7
13E41Very low38.5Very low188 Ų188148.4 Ų148.488%0.87983%0.828SS**  trans-87.8172-178.6-104.2-15977.700114.9
14P43.1Very low39.2Very low114 Ų114150.8 Ų150.874%0.7483%0.832SS**  trans-95.2168.2-154.837.7-38.9000116.8
15A38.6Very low38.9Very low107 Ų107156.4 Ų156.488%0.88484%0.838SS**  trans-113.8156.3168.500000112.1
16R35.9Very low38.7Very low250 Ų250153.7 Ų153.794%0.94384%0.837SS**  trans-107.3145.2-167.8-159.3176-173-178.62.5112.1
17A39.1Very low39.3Very low92 Ų92148.6 Ų148.676%0.7683%0.831SS**  trans-79.2158.8-173.400000115.1
18P44.1Very low39.9Very low128 Ų128147 Ų14783%0.83183%0.83SS**  trans-110.2172.1146.536.7-29.4000112.9
19Q40.8Very low39.9Very low202 Ų202145 Ų14594%0.94483%0.831SS**  trans-94154-158.7-53.816519.400113.7
20G34.5Very low40.7Very low77 Ų77144.9 Ų144.979%0.79483%0.83SS**  trans-161.4116.2173.900000115.1
21R39.1Very low41.6Very low253 Ų253141.4 Ų141.496%0.95583%0.827SS**  trans18.2139.9165.1-87.5178167.2166.4-4.2121.9
22A34Very low42.5Very low102 Ų102138.7 Ų138.784%0.84383%0.825SS**  trans-78.1152.6-179.600000115.3
23I46.2Very low42.2Very low161 Ų161136.8 Ų136.883%0.82682%0.819SS**  trans-126.5130.9164.8-59.5175.5000108
24P49.2Very low41.9Very low115 Ų115137 Ų13775%0.74782%0.82SS**  trans-90.8120.1179.932.9-31.7000113.9
25R35.9Very low41.3Very low238 Ų238134.7 Ų134.790%0.89882%0.817SS**  trans48.8105142.9-64.5-178.6170.4-173.1-4.3119.8
26G31.9Very low40.9Very low79 Ų79135 Ų13581%0.81482%0.819SS**  trans-112.7145.9136.100000109.8
27T44.9Very low40.7Very low123 Ų123127.9 Ų127.976%0.75581%0.814SS**  trans-152.3157.6-175.755.70000110.8
28P47.2Very low40.3Very low121 Ų121131.4 Ų131.479%0.78682%0.82SS**  -130.3153.6-5835.3-19.8000112.3
29G42.5Very low39.9Very low71 Ų71132.1 Ų132.173%0.73281%0.812SS**PPolyproline II helixtrans-87.2145.6168.700000112.4
30P56.9Low39.6Very low126 Ų126128 Ų12882%0.81880%0.803SS**PPolyproline II helixtrans-74.7159.3175.630.9-34.7000113.1
31P52.6Low39.8Very low121 Ų121131.6 Ų131.679%0.78680%0.798SS**PPolyproline II helixtrans-91.8166.5-167.636.7-37.8000115.5
32P54.4Low39.5Very low125 Ų125125.6 Ų125.681%0.81279%0.792SS**  trans-98.6-172.7174.640.5-36.7000114.2
33A34.7Very low39.3Very low80 Ų80132.1 Ų132.166%0.66180%0.795SS**  trans79.7149.5179.300000115.1
34H34.7Very low38.8Very low191 Ų191130.6 Ų130.688%0.88479%0.793SS**  cis-129.6177.85-60.8-103.1000109
35G30.5Very low37.8Very low67 Ų67132.7 Ų132.769%0.69180%0.798SS**  cis138.5127.5-1.300000111.8
36A30.5Very low37.4Very low112 Ų112130.2 Ų130.293%0.92679%0.794SS**  trans65.6153.5-172.800000115.6
37A30.2Very low37.3Very low101 Ų101132.4 Ų132.484%0.83580%0.795SS**  cis-138.8-169.316.400000114
38L31.1Very low36.9Very low167 Ų167132 Ų13287%0.87480%0.795SS**  trans-99149.2-171.9-69.6159.6000114.2
39Q35.1Very low36.1Very low142 Ų142133.6 Ų133.666%0.66480%0.796SS**  trans22.9140.2144.7-67.8-68.1-400120.2
40P35.4Very low35.8Very low117 Ų117136 Ų13676%0.7680%0.799SS**  -144.8176.451.640.5-21.2000118.2
41H38.9Very low34.6Very low151 Ų151134.3 Ų134.370%0.69979%0.79SS**PPolyproline II helixtrans-60.1144.4175.4-49-104000114.7
42P32.6Very low33.5Very low128 Ų128136 Ų13683%0.83179%0.787SS**PPolyproline II helixtrans-74.9139.6154.832.6-31.7000110.4
43R29.6Very low32.4Very low238 Ų238137.2 Ų137.290%0.89878%0.782SS**PPolyproline II helixtrans-90.6147-179.3-62.8167.576.2162.53.7110.6
44V36.3Very low32Very low130 Ų130138.5 Ų138.579%0.78879%0.785SS**PPolyproline II helixtrans-63135.9163.6-1730000108.6
45N27.6Very low31.6Very low158 Ų158138.9 Ų138.985%0.84578%0.78SS**  trans-153.2144.9162.7-131.27.3000111.7
46F28.6Very low31.5Very low186 Ų186144 Ų14482%0.81679%0.786SS**  trans-90155.7-178.6-75.7-109.4000112.1
47C28.6Very low31.6Very low125 Ų125142.7 Ų142.785%0.84578%0.775SS**  trans174.8158.8144.4-102.40000110.1
48P36.4Very low32.1Very low115 Ų115144.1 Ų144.175%0.74778%0.776SS**  -129.6172.3-54.235-18.3000112.3
49L30.5Very low31.9Very low154 Ų154139.8 Ų139.881%0.80677%0.772SS**  trans-75.6148.4167.9-72.3167.1000111.7
50P37Very low31.6Very low122 Ų122136.6 Ų136.679%0.79278%0.777SS**  trans-91.4147.1133.534.1-27.8000110.1
51S30.7Very low32Very low90 Ų90136.3 Ų136.363%0.62978%0.775SS**  trans-119.4166.3-169.8-50.50000112.4
52E31Very low31.5Very low157 Ų157137.8 Ų137.873%0.73478%0.782SS**  trans67.8145.3167-50.7-67.463.600115.2
53Q30.9Very low31.5Very low151 Ų151137.8 Ų137.871%0.70678%0.775SS**  cis-155.1158.1-9.7-103.316130.400104.3
54C25.7Very low31.6Very low107 Ų107137 Ų13772%0.72377%0.773SS**  cis-158.1-178.927.5-135.30000112.3
55Y27Very low31.2Very low198 Ų198134 Ų13478%0.77677%0.767SS**  trans-58.8168.8166.1-67.7-103.3000112.1
56Q27.8Very low31.9Very low174 Ų174132.1 Ų132.181%0.81376%0.764SS**  cis-161.9163.319.1-139.3141.19.300111.9
57A32.4Very low32.1Very low85 Ų85127.9 Ų127.970%0.70276%0.763SS**  trans-98.1178.9156.600000108.8
58P41.5Very low32Very low132 Ų132133.1 Ų133.186%0.85777%0.765SS**  cis-139.4-167.68.644.4-25.8000114.8
59G27.2Very low31.7Very low75 Ų75134.4 Ų134.477%0.77377%0.771SS**  trans129.1133.7150.900000117.1
60G28.6Very low31.6Very low75 Ų75130.3 Ų130.377%0.77377%0.766SS**  trans-106.5-164.9146.900000109.3
61P43.4Very low31.3Very low111 Ų111128.7 Ų128.772%0.72176%0.757SS**  cis-137.3-162.611.844.6-26.8000114.5
62E28.9Very low31.4Very low182 Ų182133.5 Ų133.585%0.8577%0.77SS**  trans75.1134.8152.7-73.7178.3111.300123.4
63D31.9Very low31.3Very low128 Ų128129.4 Ų129.468%0.68477%0.77SS**  trans24114.3148.1-161.6-131.4000121.1
64R31.1Very low31.2Very low223 Ų223129.5 Ų129.584%0.84278%0.78SS**  173.7152.4110-92.9177.3-171.8-168.11.9114.4
65G28.3Very low31.3Very low66 Ų66131.5 Ų131.568%0.6878%0.783SS**  trans-79.8-175.115900000112.5
66P42.8Very low31.6Very low119 Ų119129.8 Ų129.877%0.77378%0.782SS**  -143.8175.158.439.4-21.7000116.1
67A31.5Very low31.6Very low97 Ų97132.1 Ų132.180%0.80278%0.783SS**  trans-97157.9171.500000112.4
68W27.1Very low31.5Very low234 Ų234132.8 Ų132.889%0.88678%0.778SS**  trans-112.7118.2172.5-58.8-7.2000110.8
69V31.1Very low30.9Very low142 Ų142135.5 Ų135.586%0.86178%0.78SS**  45.6133.3125.9-174.90000118.5
70G27.4Very low30.9Very low68 Ų68135.4 Ų135.470%0.70178%0.779SS**  cis167-1746.200000110
71S31.9Very low31Very low88 Ų88140.3 Ų140.362%0.61579%0.786SS**  cis-167.3168.8-6.8-85.10000110.3
72H31.8Very low31.2Very low192 Ų192141 Ų14189%0.88979%0.791SS**  trans71.6145.1174.1-46-81.8000116
73G29.2Very low31.3Very low71 Ų71136.8 Ų136.873%0.73279%0.787SS**  cis146.3149.61.300000109.4
74V28.3Very low31.2Very low152 Ų152136.5 Ų136.592%0.92179%0.786SS**  cis-148.3175.310.7166.80000109.7
75L28.6Very low31.3Very low149 Ų149136.2 Ų136.278%0.7879%0.785SS**  trans-98.6167.4-167.8-171.472.7000115.1
76Q32Very low31.3Very low163 Ų163137 Ų13776%0.76279%0.792SS**  trans110.9125.4155.5-59.8-166.570.200116.1
77R28.6Very low30.7Very low222 Ų222134.7 Ų134.784%0.83879%0.791SS**  67.713275.3-107.1-170.8-173.9-138.54111.3
78T29.9Very low30.7Very low99 Ų99138.6 Ų138.661%0.60780%0.797SS**  cis-156.3158.324.641.70000114.4
79Q28.9Very low31.3Very low190 Ų190138.5 Ų138.589%0.88880%0.797SS**  trans44.6131.2139.8-62.1171.1-6.900122.5
80G26.8Very low32.1Very low73 Ų73137.4 Ų137.475%0.75379%0.793SS**  trans169.6124159.700000116.5
81L32.1Very low32.2Very low177 Ų177137.6 Ų137.693%0.92780%0.795SS**  trans-148.2172.3170.5-68.2176.3000107.3
82P47.1Very low32.7Very low126 Ų126137.9 Ų137.982%0.81880%0.797SS**  cis-136.2-163.6441.6-21000115.7
83A31.6Very low33.6Very low94 Ų94135.7 Ų135.778%0.77779%0.791SS**  trans-68.6169.1-174.100000120.4
84D29.6Very low34.4Very low122 Ų122137.7 Ų137.765%0.65279%0.785SS**  trans-165.2157.7130.2-135.4-152.3000109
85R32.8Very low35.6Very low216 Ų216134.8 Ų134.882%0.81578%0.777SS**  cis-160.8140.9-2.4-156.3178.2-161.4116.8-7.5112.3
86G27.9Very low36.6Very low82 Ų82135.5 Ų135.585%0.84578%0.776SS**  trans71.8150.4152.800000119.8
87G30.2Very low37.7Very low72 Ų72133 Ų13374%0.74277%0.767SS**  cis174.9170.6-7.600000114.6
88L31.4Very low38.7Very low179 Ų179128 Ų12894%0.93776%0.757SS**  trans79.8157.9175.2-51.9179.6000118.7
89R40.3Very low39.6Very low231 Ų231130.7 Ų130.787%0.87277%0.766SS**  trans-148.3-168.9178.8-32.6-169.976.1-148.20.6108.1
90P48.2Very low40.5Very low119 Ų119128 Ų12877%0.77376%0.757SS**  cis-123.3177.6-3337.4-23.3000111.5
91G29.8Very low41.8Very low72 Ų72127.7 Ų127.774%0.74274%0.744SS**  trans171.6154.8163.100000116.7
92S40.7Very low42.5Very low95 Ų95124.1 Ų124.166%0.66473%0.734SS**  trans64.1128.9169.9-166.70000118.8D94S92-D94 WeakPolarHBondContact CA-OD2 3.42Å; S92-D94 VanDerWaalsContact CB-OD2 3.31Å; S92-D94 WeakPolarHBondContact CB-OD2 3.25Å; S92-D94 WeakPolarHBondContact OG-CB 3.36Å; S92-D94 PolarHBondContact OG-N 2.78Å; S92-D94 PolarHBondContact OG-OD2 3.13Å
93L51.7Low42.7Very low146 Ų146123.6 Ų123.676%0.76473%0.728SS**  trans-125.631.6171.1-119.2170.4000109.4
94D46.4Very low43.5Very low112 Ų112126.7 Ų126.760%0.59973%0.731SS**  trans-11323.4-159-46.1-87.2000112.4S92S92-D94 WeakPolarHBondContact CA-OD2 3.42Å; S92-D94 VanDerWaalsContact CB-OD2 3.31Å; S92-D94 WeakPolarHBondContact CB-OD2 3.25Å; S92-D94 WeakPolarHBondContact OG-CB 3.36Å; S92-D94 PolarHBondContact OG-N 2.78Å; S92-D94 PolarHBondContact OG-OD2 3.13Å
95A54Low44.4Very low91 Ų91125 Ų12575%0.75273%0.734SS**SBendtrans-111.5-11.1-175.900000114.7
96E49.5Very low45.2Very low164 Ų164123.1 Ų123.177%0.76673%0.734SS**SBendtrans-105.2-3.9-177.4-65.3-171.4129.700113.8
97I54.5Low46.1Very low112 Ų112127.2 Ų127.257%0.57474%0.736SS**SBendtrans-91.6-37.9-174.7-63.5176.7000112.4L99 L100I97-L99 VanDerWaalsContact C-N 3.27Å; I97-L99 PolarHBondContact O-N 2.94Å; I97-L100 PolarHBondContact O-N 2.85Å
98D49.1Very low46.4Very low116 Ų116132 Ų13262%0.6275%0.745SS**Hα-helixtrans-69.4-19.5-172.9-78-29.9000114.8L100D98-L100 VanDerWaalsContact C-N 3.26Å; D98-L100 PolarHBondContact O-N 2.99Å
99L49Very low46.4Very low155 Ų155127.3 Ų127.381%0.81274%0.74SS**Hα-helixtrans-76.1-11.9178.6-160.462.8000113.4I97I97-L99 VanDerWaalsContact C-N 3.27Å; I97-L99 PolarHBondContact O-N 2.94Å
100L48.6Very low46.2Very low133 Ų133119.6 Ų119.670%0.69673%0.732SS**Hα-helixtrans-107.4-13.5178-66.2178.2000114.1I97 D98I97-L100 PolarHBondContact O-N 2.85Å; D98-L100 VanDerWaalsContact C-N 3.26Å; D98-L100 PolarHBondContact O-N 2.99Å
101S53.4Low45.6Very low68 Ų68126.5 Ų126.548%0.47674%0.742SS.*Hα-helixtrans-81.9-21.1178.3-61.90000113.7T103S101-T103 PolarHBondContact O-N 3.33Å
102S47Very low45.8Very low101 Ų101126.3 Ų126.371%0.70674%0.741SS**THydrogen-bonded Turntrans-83.2-0.7-171.5-610000115.4
103T50.8Low45.4Very low115 Ų115130.8 Ų130.871%0.70675%0.751SS**THydrogen-bonded Turntrans-116.50.8-178.152.10000114.4S101S101-T103 PolarHBondContact O-N 3.33Å
104L48.8Very low44.5Very low159 Ų159130 Ų13083%0.83275%0.752SS**SBendtrans-120.418.3177.3-71.6172.4000113
105A49.2Very low44.8Very low86 Ų86129.5 Ų129.571%0.71176%0.755SS**SBendtrans-106.2-9.3-17800000114.7
106E48.4Very low43.6Very low177 Ų177136.7 Ų136.783%0.82776%0.762SS**SBendtrans-114151.9172.1-64.4-159.7114.700110.9
107L46.1Very low42.6Very low168 Ų168139.7 Ų139.788%0.8877%0.767SS**SBendtrans70.246.5-176-51.9-177.6000117.3
108N37.1Very low42.2Very low173 Ų173139.1 Ų139.193%0.92577%0.771SS**  trans-150.293140.1-105.2-48.3000112.4
109G31.4Very low41.2Very low81 Ų81142.5 Ų142.584%0.83578%0.783SS**  trans-136.726.8-171.900000115.4
110G35.4Very low40.4Very low69 Ų69146 Ų14671%0.71179%0.785SS**  trans21.1126.9166.900000122.9
111R36.7Very low39.5Very low263 Ų263149.2 Ų149.299%0.99280%0.796SS**  trans-149.1140138.7-103.7169.9-166-94.7-1.4108.9
112G33.8Very low38.4Very low69 Ų69150.7 Ų150.771%0.71181%0.813SS**  trans-118163.9-170.500000114.8
113H32Very low37.7Very low189 Ų189155.3 Ų155.388%0.87582%0.816SS**  trans-154.6153.9164.6-111.6-81.6000111.4
114V33.3Very low36.8Very low129 Ų129158.5 Ų158.578%0.78282%0.823SS**  trans-154.1158.6-171168.60000106.6
115P51.8Low36.4Very low102 Ų102154.7 Ų154.766%0.66281%0.808SS**  cis-124.6176.3-932.9-15.3000114.8
116R28.7Very low35.9Very low241 Ų241158.9 Ų158.991%0.90982%0.817SS**  175.8160.8119.7-93.1-78.5166.9162.9-4.9114.2
117R29.5Very low36Very low227 Ų227155.8 Ų155.886%0.85781%0.812SS**  trans-118174.6174.7-134.5-167.2177.3177.70.2106.8
118P45.8Very low36Very low101 Ų101153 Ų15366%0.65680%0.804SS**  cis-132.8-172-12.939.9-21.8000113.1
119E28.1Very low36.2Very low187 Ų187151.1 Ų151.187%0.87480%0.802SS**  179.8178.6115.4-92.8-138.38600113.7
120R32.1Very low36.3Very low228 Ų228152.7 Ų152.786%0.8680%0.795SS**  trans-115.9143.9-172.6-74.9171.7150-163-3.9112.3
121Q29.6Very low36.2Very low200 Ų200159.1 Ų159.194%0.93580%0.799SS**  trans172.5154.8145.4-96.6160.22500107.6
122A29.6Very low35.8Very low99 Ų99158.3 Ų158.382%0.81880%0.796SS**  cis-153.4170-24.200000107.6
123Y33.9Very low35.9Very low198 Ų198161.7 Ų161.778%0.77680%0.803SS**  trans-100.7129.3179.5174.9-86.5000111.6P125Y123-P125 HydrophobicContact CE1-CG 4.32Å
124E31.9Very low35.7Very low183 Ų183156.1 Ų156.186%0.85580%0.796SS**  trans-149151.1146.9-104.7-15693.900111.2
125P38.7Very low36.2Very low79 Ų79155.8 Ų155.851%0.51380%0.8SS.*PPolyproline II helixtrans-97.8158.9-174.537.8-33.7000114Y123Y123-P125 HydrophobicContact CE1-CG 4.32Å
126L38.8Very low35.3Very low174 Ų174158.9 Ų158.991%0.91181%0.81SS**PPolyproline II helixtrans-74.2141173.5-75.1161.9000112.1
127P51.1Low35.8Very low111 Ų111157.1 Ų157.172%0.72181%0.809SS**PPolyproline II helixtrans-80.7155.8-176.132.5-36.4000113.7
128P47.4Very low35.8Very low110 Ų110152.4 Ų152.471%0.71481%0.808SS**PPolyproline II helixtrans-77.8151.3177.432.7-35.6000112.7
129P41.4Very low35.3Very low133 Ų133154.9 Ų154.986%0.86482%0.815SS**PPolyproline II helixtrans-71131.2176.229.2-34.1000111.7
130V33.4Very low35.6Very low115 Ų115151.4 Ų151.470%0.69781%0.809SS**PPolyproline II helixtrans-86.2142.4179.2-176.50000110.8
131Y31.5Very low35.6Very low203 Ų203145.2 Ų145.280%0.79681%0.806SS**PPolyproline II helixtrans-56148.3175.648.1-92.3000113.5
132R30Very low35.8Very low247 Ų247140.8 Ų140.893%0.93280%0.798SS**  trans-132.9134.4152.6-95-163.6173.8-153.40.1110.9
133T34.5Very low36.2Very low140 Ų140142.1 Ų142.186%0.85980%0.798SS**  trans-77.3127.1-176.9-13.20000110.8
134G28.8Very low36.2Very low71 Ų71140.3 Ų140.373%0.73280%0.801SS**  trans-138.8112.9171.400000109.9L136G134-L136 PolarHBondContact O-N 3.38Å
135S42.9Very low36.1Very low122 Ų122137.6 Ų137.685%0.85380%0.799SS**  trans-82.7109.8-175.1-61.40000112
136L33.1Very low35.8Very low167 Ų167138.3 Ų138.387%0.87481%0.811SS**  trans-122.7129.8161.6-70.6175000109.1G134 P138G134-L136 PolarHBondContact O-N 3.38Å; L136-P138 WeakPolarHBondContact O-CD 3.47Å
137K38.8Very low35.5Very low205 Ų205134.4 Ų134.489%0.89180%0.799SS**PPolyproline II helixtrans-77.6127.8179.3-70.5175.9174.7177.40110.5
138P30.4Very low34.8Very low128 Ų128134.8 Ų134.883%0.83180%0.801SS**PPolyproline II helixtrans-73.3122.8152.2-6.524.6000108.3L136L136-P138 WeakPolarHBondContact O-CD 3.47Å
139N34.4Very low34.3Very low152 Ų152139.1 Ų139.181%0.81381%0.805SS**PPolyproline II helixtrans-84.5150.5162.4-141.931.3000107.9A141N139-A141 PolarHBondContact O-N 3.43Å
140P35.3Very low34.2Very low115 Ų115136.3 Ų136.375%0.74780%0.8SS**PPolyproline II helixtrans-70.4134.4-170.428.1-33.8000111.8
141A31.4Very low34.4Very low97 Ų97132.9 Ų132.980%0.80279%0.788SS**PPolyproline II helixtrans-75.2134.4166.600000109.8N139N139-A141 PolarHBondContact O-N 3.43Å
142S34.6Very low35.2Very low108 Ų108126 Ų12676%0.75577%0.768SS**PPolyproline II helixtrans-62.9142178.4-54.20000111.7L144S142-L144 PolarHBondContact O-N 3.44Å
143P37.3Very low36.3Very low126 Ų126120.3 Ų120.382%0.81876%0.761SS**PPolyproline II helixtrans-60.9135.3172-2233.3000111.7
144L33.7Very low36.8Very low161 Ų161117.1 Ų117.184%0.84374%0.742SS**PPolyproline II helixtrans-67.6146.7162.5-69.1171.6000109.4S142 A146S142-L144 PolarHBondContact O-N 3.44Å; L144-A146 PolarHBondContact O-N 3.21Å; L144-A146 VanDerWaalsContact O-N 3.13Å
145P31.6Very low37.7Very low126 Ų126115.5 Ų115.582%0.81872%0.722SS**  trans-66.9114.4-177.726.7-33.9000110.8
146A31.3Very low38Very low93 Ų93115 Ų11577%0.76972%0.719SS**  trans-66.2133.7167.200000109.6L144 P148L144-A146 PolarHBondContact O-N 3.21Å; L144-A146 VanDerWaalsContact O-N 3.13Å; A146-P148 WeakPolarHBondContact O-CD 3.48Å
147S33.1Very low38.4Very low92 Ų92115.8 Ų115.864%0.64371%0.711SS**  trans-66.7123.5174.6-174.80000110Y149S147-Y149 PolarHBondContact O-N 3.38Å
148P36.2Very low38.7Very low120 Ų120108.9 Ų108.978%0.77969%0.692SS**  trans-77.688.9178.831.6-33.6000110.1A146 G150A146-P148 WeakPolarHBondContact O-CD 3.48Å; P148-G150 PolarHBondContact O-N 3.44Å
149Y36.3Very low39.1Very low201 Ų201108.9 Ų108.979%0.78869%0.691SS**  trans-64122.3159.6-86.7-86.4000108.5S147 G151S147-Y149 PolarHBondContact O-N 3.38Å; Y149-G151 PolarHBondContact O-N 3.37Å
150G39Very low38.9Very low74 Ų74104.5 Ų104.576%0.76368%0.675SS**  trans-72.2112.6-16900000112.9P148P148-G150 PolarHBondContact O-N 3.44Å
151G38.8Very low38.6Very low42 Ų42104.2 Ų104.243%0.43368%0.676SS.*  trans-64.7165.5157.700000111.4Y149 T153Y149-G151 PolarHBondContact O-N 3.37Å; G151-T153 PolarHBondContact O-N 3.14Å; G151-T153 VanDerWaalsContact O-N 3.1Å
152P47.1Very low39.1Very low59 Ų59106.5 Ų106.538%0.38368%0.68SS.*  trans-63.6114-175.726.1-34.7000111.1Y320 L347P152-Y320 HydrophobicContact CB-CE1 4.27Å; P152-Y320 HydrophobicContact CG-CE1 4.49Å; P152-L347 WeakPolarHBondContact CD-O 3.44Å; P152-L347 WeakPolarHBondContact CG-O 3.37Å
153T53.6Low39.5Very low127 Ų127107 Ų10778%0.77968%0.681SS**  trans-64.6128.2176.836.10000110.6G151G151-T153 PolarHBondContact O-N 3.14Å; G151-T153 VanDerWaalsContact O-N 3.1Å
154P44.5Very low39.2Very low73 Ų73106.2 Ų106.247%0.47469%0.685SS.*  trans-65.9144.3173.628.8-34.3000109.6S156 H318P154-S156 PolarHBondContact O-N 3.29Å; P154-H318 HydrophobicContact CB-CB 4.15Å
155A49.3Very low38.9Very low37 Ų37101.9 Ų101.931%0.30668%0.679SS.*  trans-72.2113.6177.300000110.2F319A155-F319 HydrophobicContact CB-CD1 4.41Å; A155-F319 HydrophobicContact CB-CD2 3.99Å; A155-F319 HydrophobicContact CB-CE1 3.92Å; A155-F319 HydrophobicContact CB-CE2 3.45Å; A155-F319 VanDerWaalsContact CB-CE2 3.45Å; A155-F319 HydrophobicContact CB-CG 4.45Å; A155-F319 HydrophobicContact CB-CZ 3.4Å; A155-F319 VanDerWaalsContact CB-CZ 3.4Å; A155-F319 PolarHBondContact N-O 3.36Å; A155-F319 WeakPolarHBondContact O-CE1 3.45Å
156S47.4Very low39.2Very low112 Ų112101.4 Ų101.478%0.78368%0.676SS**  trans-63141173.7-56.40000111P154P154-S156 PolarHBondContact O-N 3.29Å
157Y41.4Very low39.5Very low183 Ų183101.7 Ų101.772%0.71868%0.678SS**  trans-74.2141163.558.9-93.4000109.6
158A46.3Very low39.3Very low60 Ų60106.1 Ų106.150%0.49669%0.686SS.*BIsolated β-bridgetrans-120.4120.317200000109.6
159T38.3Very low39.3Very low129 Ų129106 Ų10679%0.79169%0.686SS**  trans-70.4135.7159.8-10.40000107.6S161T159-S161 PolarHBondContact O-N 2.86Å
160A29.9Very low39Very low60 Ų60102.9 Ų102.950%0.49669%0.687SS.*  trans-66.7120.6-167.700000112.7V294A160-V294 HydrophobicContact CB-CG2 4.23Å
161S29.9Very low38.6Very low108 Ų108108.1 Ų108.176%0.75569%0.692SS**  trans-162.784170.8-75.60000111.5T159T159-S161 PolarHBondContact O-N 2.86Å
162T42.5Very low38.3Very low145 Ų145111.9 Ų111.989%0.8971%0.706SS**  trans56.8163156.137.50000120.1
163P41.7Very low37.4Very low120 Ų120118.9 Ų118.978%0.77973%0.73SS**  trans-124.3-179.8-147.844.5-34000117.7
164A31.6Very low36.5Very low108 Ų108118.2 Ų118.289%0.89373%0.726SS**  trans99.1123.5155.500000119.1
165G27.1Very low35.7Very low70 Ų70119.2 Ų119.272%0.72274%0.74SS**  trans-179.9141.7172.300000110
166P38.1Very low34.8Very low116 Ų116126.1 Ų126.175%0.75377%0.766SS**  trans-84.2156.5-16633-36.6000114.9
167A38.3Very low34Very low99 Ų99126.2 Ų126.282%0.81876%0.764SS**  trans-88.1142.7176.200000112.7
168F28Very low33.7Very low186 Ų186124.5 Ų124.582%0.81677%0.773SS**  trans-104.7138.7174-68.7-87.9000111.4
169P35.6Very low33.2Very low118 Ų118133.1 Ų133.177%0.76679%0.792SS**PPolyproline II helixtrans-82120.2178.831.5-33.1000112.2
170V30.7Very low32.8Very low134 Ų134130.7 Ų130.781%0.81279%0.792SS**PPolyproline II helixtrans-83.6117.9170.2175.80000109.7
171Q31.4Very low33Very low184 Ų184133.3 Ų133.386%0.8681%0.806SS**PPolyproline II helixtrans-83.8119.5172.3-66.5-168.38.300111.1K173Q171-K173 PolarHBondContact O-N 2.98Å
172V31.5Very low33.6Very low122 Ų122131.4 Ų131.474%0.73980%0.803SS**  trans-85.1105175.5-178.70000109.7V174V172-V174 HydrophobicContact CG1-CG2 4.18Å; V172-V174 PolarHBondContact O-N 3.26Å
173K29Very low33.4Very low205 Ų205130.4 Ų130.489%0.89180%0.799SS**  trans-84.489.1178.3-165.9170.1-175.3175.60111.2Q171 A175Q171-K173 PolarHBondContact O-N 2.98Å; K173-A175 PolarHBondContact O-N 2.81Å
174V33.4Very low33.1Very low114 Ų114131 Ų13169%0.69180%0.803SS**PPolyproline II helixtrans-68.4125.6175.1-179.80000110.4V172V172-V174 HydrophobicContact CG1-CG2 4.18Å; V172-V174 PolarHBondContact O-N 3.26Å
175A28.8Very low33.3Very low93 Ų93137.5 Ų137.577%0.76980%0.804SS**PPolyproline II helixtrans-77.9128.8166.100000109.7K173K173-A175 PolarHBondContact O-N 2.81Å
176Q30.1Very low33.7Very low182 Ų182146 Ų14685%0.8582%0.815SS**PPolyproline II helixtrans-78.2141.8177.3-67.9-168.53.700111.3V178Q176-V178 PolarHBondContact O-N 3.4Å
177P30.3Very low33.3Very low114 Ų114144.1 Ų144.174%0.7482%0.817SS**PPolyproline II helixtrans-74.9121.7171.330.5-32.5000110.4R179P177-R179 PolarHBondContact O-N 3.07Å
178V34.5Very low32.8Very low148 Ų148144.3 Ų144.390%0.89782%0.818SS**PPolyproline II helixtrans-64.6126167.8179.60000108.5Q176Q176-V178 PolarHBondContact O-N 3.4Å
179R35.6Very low33.1Very low241 Ų241140.7 Ų140.791%0.90982%0.816SS**  trans-104.3124.4172.9-83-173169.3-165.4-1.3110.3P177P177-R179 PolarHBondContact O-N 3.07Å
180G31.3Very low33.1Very low77 Ų77144.4 Ų144.479%0.79482%0.823SS**  trans125.681.4139.800000117.8
181C33.8Very low32.9Very low115 Ų115142.5 Ų142.578%0.77782%0.821SS**  trans-136.7104.5152.221.50000108.6
182G42.1Very low33Very low68 Ų68139.7 Ų139.770%0.70182%0.822SS**PPolyproline II helixtrans-92.2152.9172.900000110.9
183P38.3Very low32.8Very low124 Ų124137.4 Ų137.481%0.80582%0.823SS**PPolyproline II helixtrans-69.7140.7-175.828.5-35000112R185P183-R185 PolarHBondContact O-N 2.78Å
184P35.3Very low33.6Very low132 Ų132133.9 Ų133.986%0.85782%0.821SS**PPolyproline II helixtrans-70.7127.4179.828.3-34.2000111.5
185R35.3Very low33.7Very low245 Ų245136.1 Ų136.193%0.92583%0.829SS**PPolyproline II helixtrans-88.1139.5165.3-92.3-173.2169.9-95.7-0.1110.2P183P183-R185 PolarHBondContact O-N 2.78Å
186R35.6Very low34.4Very low248 Ų248137.8 Ų137.894%0.93683%0.831SS**PPolyproline II helixtrans-61.1138.6174-57.3-177-173-155.21.7110.7
187G29.7Very low34.3Very low77 Ų77132.3 Ų132.379%0.79482%0.824SS**PPolyproline II helixtrans-82.1153.9159.500000111.7
188A29.3Very low35.2Very low103 Ų103133.5 Ų133.585%0.85183%0.832SS**  trans-147152.4163.400000107.4
189S34.1Very low35Very low111 Ų111134.3 Ų134.378%0.77683%0.825SS**  trans-125.6155.3-153.1-52.40000115.4
190Q34.2Very low34.9Very low196 Ų196131.6 Ų131.692%0.91682%0.82SS**  trans89.6154.4157.7-54-167.578.300120.8
191A26.8Very low35.7Very low93 Ų93133.5 Ų133.577%0.76982%0.819SS**  trans93.2109157.100000121
192S33.4Very low35.6Very low126 Ų126135.8 Ų135.888%0.88182%0.822SS**  trans55.2139.4132.3-51.70000123.1
193G27.8Very low35.7Very low73 Ų73138.5 Ų138.575%0.75383%0.828SS**  trans-91.3-161.6170.100000114.1
194P45.1Very low35.2Very low132 Ų132136.1 Ų136.186%0.85783%0.826SS**  cis-133.7-164.118.243.3-25.2000116.6
195L35.4Very low35Very low161 Ų161140.1 Ų140.184%0.84382%0.824SS**  trans-29.5159.8173.4-71.2176.7000119.5
196P43.4Very low34.6Very low127 Ų127131.1 Ų131.183%0.82581%0.807SS**  cis-142-172.840.240.1-18.5000119
197G29.2Very low34.3Very low67 Ų67127.1 Ų127.169%0.69180%0.799SS**  trans-89.2-159.4-172.600000117.3
198P49.9Very low34.4Very low140 Ų140128.9 Ų128.991%0.90979%0.794SS**  -140-147.865.341.6-23.2000116.2
199H28.4Very low34.3Very low165 Ų165136 Ų13676%0.76480%0.799SS**  trans-126.4-178.1-144-129.3-119000117
200F34.5Very low34Very low183 Ų183134.2 Ų134.280%0.80380%0.798SS**  trans102.1153.6160.2-58.7-69.6000118.9
201P47.4Very low35.2Very low117 Ų117131.5 Ų131.576%0.7680%0.798SS**  -137.1177.6-65.137.6-19.2000115.7
202L32.2Very low35.2Very low163 Ų163131 Ų13185%0.85380%0.802SS**  trans-91.4167.5168.6-79166000112.7
203P43.5Very low34.9Very low125 Ų125134.2 Ų134.281%0.81280%0.796SS**  -145.2166.511339.2-25.7000116.5
204G28Very low34.8Very low74 Ų74139.3 Ų139.376%0.76379%0.793SS**  trans-111.8-153.1159.200000110.4
205R32.3Very low33.9Very low216 Ų216138 Ų13882%0.81579%0.787SS**  cis-168.1149.5-10.2-178.1-171.5-179.5-81.61.9107.9E207R205-E207 IonicContact NH1-OE1 3.9Å; R205-E207 PolarHBondContact NH1-OE1 3.01Å
206G26.2Very low33.3Very low56 Ų56139.1 Ų139.158%0.57779%0.788SS**  trans163.5128.4168.300000110.5
207E30.1Very low32.5Very low164 Ų164143 Ų14377%0.76679%0.786SS**  8013361.6-72.9172177.800113.8R205R205-E207 IonicContact NH1-OE1 3.9Å; R205-E207 PolarHBondContact NH1-OE1 3.01Å
208V30.5Very low32.5Very low115 Ų115147 Ų14770%0.69779%0.786SS**  cis-163.8166.5-15.974.20000110.5
209W27Very low32.1Very low251 Ų251146.3 Ų146.395%0.95178%0.782SS**  trans69.4148.4165-73.8-14.2000122.3
210G28.7Very low32Very low74 Ų74141.6 Ų141.676%0.76378%0.778SS**  trans110.6109.9136.200000120
211P59.8Low32.4Very low139 Ų139139.6 Ų139.690%0.90378%0.783SS**  trans-97.7156168.836.8-32.4000114.1
212G26.4Very low31.3Very low83 Ų83137.4 Ų137.486%0.85678%0.782SS**  trans-158.9170.2-179.700000114.5
213Y26.3Very low31.3Very low194 Ų194134.3 Ų134.376%0.76178%0.78SS**  trans-137.2148.1-161.5169.7-111.6000114.6
214R27.1Very low30.8Very low180 Ų180136.5 Ų136.568%0.67978%0.777SS**  trans79.9121.3156.4178-178.9-77.3-157.4-1.2121.5
215S24.7Very low30.9Very low104 Ų104139.3 Ų139.373%0.72777%0.77SS**  trans33.4138.4140.5-47.70000123.9
216Q24.1Very low31Very low185 Ų185137.5 Ų137.586%0.86477%0.771SS**  -165.5-169.5107.5-96.5-68.512.700110.8
217R26Very low31.2Very low209 Ų209138.5 Ų138.579%0.78977%0.773SS**  trans-135.7155.9-154.1-125.3-170.5-178-168.61.9114.5
218E28.7Very low31.2Very low150 Ų150135.9 Ų135.970%0.70178%0.78SS**  trans60.6174.8152.6-61.9-43.7104.300119.4
219P43Very low31.1Very low126 Ų126133.7 Ų133.782%0.81878%0.781SS**  cis-114.9-159.2-5.645.1-32.3000112
220G26.2Very low31.4Very low66 Ų66128.4 Ų128.468%0.6878%0.776SS**  cis164.4-156.7600000108.7
221P42.6Very low31.5Very low140 Ų140130.3 Ų130.391%0.90978%0.778SS**  cis-136.3178.8-22.742.3-25.9000114.8
222G24.6Very low30Very low72 Ų72127.1 Ų127.174%0.74277%0.77SS**  trans139.996.7165.600000113.7
223A31.8Very low30.9Very low98 Ų98130 Ų13081%0.8177%0.773SS**  65.5124.486.800000113.8
224K32.7Very low31.2Very low171 Ų171125.8 Ų125.874%0.74378%0.779SS**  cis-157.9-172.911.6-112.3168.4151.7-119.10108.8
225E31.1Very low31.4Very low132 Ų132121.1 Ų121.162%0.61779%0.787SS**  cis-147.5-94.415.9-164.972.793.800114.2
226E32.7Very low31.8Very low179 Ų179120.3 Ų120.384%0.83679%0.794SS**  trans-144.6170.5-160.2-105-175.281.900113.2
227A31.9Very low32.1Very low76 Ų76115.4 Ų115.463%0.62879%0.793SS**  cis-159.3161.92.400000113.8
228A29.9Very low32.7Very low110 Ų110117.4 Ų117.491%0.90980%0.801SS**  trans55.4149.6153.100000122.1
229G28.4Very low32.9Very low69 Ų69114.4 Ų114.471%0.71181%0.81SS**  cis175.1123.4-9.100000115.7
230V32.1Very low32.5Very low139 Ų139112 Ų11284%0.84281%0.809SS**  trans26.6122.6148.5-1640000119.1
231S31.7Very low33.2Very low115 Ų115117.6 Ų117.680%0.80482%0.817SS**  -171.2153.292.3-67.30000114.5
232G27.6Very low32.9Very low71 Ų71119.9 Ų119.973%0.73282%0.815SS**  trans-99.8-14817000000113
233P45.3Very low33.3Very low144 Ų144119.9 Ų119.994%0.93582%0.815SS**  cis-129.1-154.515.943.2-25.7000114.2
234A33.7Very low34.4Very low106 Ų106120.9 Ų120.988%0.87681%0.813SS**  trans-109.7168.6-165.900000115.3
235G30.7Very low34.6Very low82 Ų82121.4 Ų121.485%0.84582%0.818SS**  trans-166.1143.8166.400000110.8
236G33.8Very low35.1Very low86 Ų86121 Ų12189%0.88783%0.825SS**  trans-146152.4-177.200000113.2
237G30.2Very low35.6Very low82 Ų82119.7 Ų119.785%0.84582%0.818SS**  trans-160.5160.2-179.300000111.3
238R39Very low36.2Very low252 Ų252122.4 Ų122.495%0.95182%0.821SS**  trans-125.3139.3-172.2-82178.2163.4-115.23.1112.8
239G32.1Very low37Very low86 Ų86122.1 Ų122.189%0.88781%0.813SS**  trans86155.5141.400000117.7
240G35.3Very low38.2Very low77 Ų77125.6 Ų125.679%0.79481%0.811SS**  trans130.8127.7179.100000111.7
241E40.6Very low39.5Very low182 Ų182121.2 Ų121.285%0.8579%0.785SS**  trans-98.3-155.4177.7-66.3172.87700110.8
242H35.1Very low40.9Very low188 Ų188121.1 Ų121.187%0.8778%0.782SS**  trans78.2110.9-178.8-34.296.6000115.7
243G34.3Very low42.8Very low72 Ų72124.2 Ų124.274%0.74278%0.777SS**  trans-90.1-160.8147.300000110.4
244P53.3Low44.3Very low119 Ų119120.9 Ų120.977%0.77375%0.752SS**  cis-125.91782.441.8-28.6000113.5
245Q37Very low46.5Very low182 Ų182120.5 Ų120.585%0.8573%0.732SS**  175.3104.5129.8-90.5-86.7-47.200109.5
246V43Very low48.8Very low124 Ų124122 Ų12275%0.75272%0.719SS**  trans-86.8141.5151.7-146.50000104.5
247H41.6Very low51.3Low152 Ų152121 Ų12170%0.70469%0.694SS**  -174.7128.292.9-137.7-134000112.6
248L45.2Very low53.9Low132 Ų132124.3 Ų124.369%0.69168%0.681SS**  trans55.2161.3145.2-57.3-173.5000119.8
249S46.3Very low56.1Low104 Ų104116.5 Ų116.573%0.72766%0.658SS**  cis-138.8130.211.8-45.40000112.2
250Q55.3Low58.7Low142 Ų142115.7 Ų115.766%0.66464%0.636SS**SBendtrans-79.3147133.1-74.5-167.5-105.700107.2
251P57.4Low61.1Low48 Ų48118.2 Ų118.231%0.31263%0.625SS.*  trans-67.5141.6-179.531.2-35.7000109.6E253 D254P251-E253 HydrophobicContact CB-CG 3.9Å; P251-E253 VanDerWaalsContact CB-OE1 3.22Å; P251-E253 WeakPolarHBondContact CB-OE1 3.15Å; P251-E253 HydrophobicContact CG-CG 4.04Å; P251-E253 PolarHBondContact O-N 2.79Å; P251-D254 HydrophobicContact CG-CB 4.48Å; P251-D254 PolarHBondContact O-N 3.12Å; P251-D254 VanDerWaalsContact O-N 3.12Å
252P61.9Low63Low113 Ų113115.8 Ų115.873%0.73461%0.611SS**Hα-helixtrans-64.4-15.2-176.226.6-34.9000113.1L256P252-L256 WeakPolarHBondContact O-CB 3.37Å; P252-L256 PolarHBondContact O-N 2.99Å
253E66.9Low65.1Low135 Ų135112.5 Ų112.563%0.63160%0.6SS**Hα-helixtrans-68.1-32.9174.269.8-148.415600113.6P251 D257P251-E253 HydrophobicContact CB-CG 3.9Å; P251-E253 VanDerWaalsContact CB-OE1 3.22Å; P251-E253 WeakPolarHBondContact CB-OE1 3.15Å; P251-E253 HydrophobicContact CG-CG 4.04Å; P251-E253 PolarHBondContact O-N 2.79Å; E253-D257 WeakPolarHBondContact O-CB 2.85Å; E253-D257 PolarHBondContact O-N 2.92Å
254D76.6Confident67.5Low75 Ų75112.3 Ų112.340%0.40158%0.584SS.*Hα-helixtrans-67-45177.2-85.6-28.5000111.5P251 D257 R258P251-D254 HydrophobicContact CG-CB 4.48Å; P251-D254 PolarHBondContact O-N 3.12Å; P251-D254 VanDerWaalsContact O-N 3.12Å; D254-D257 PolarHBondContact O-N 2.8Å; D254-R258 WeakPolarHBondContact O-CB 3.47Å; D254-R258 VanDerWaalsContact O-CG 3.27Å; D254-R258 WeakPolarHBondContact O-CG 3.27Å; D254-R258 PolarHBondContact O-N 2.86Å
255E81.3Confident68.7Low98 Ų98111.6 Ų111.646%0.45857%0.57SS.*Hα-helixtrans-74.7-33.4179.6-166.960.1-161.400110.8R258 L259E255-R258 PolarHBondContact O-N 3.05Å; E255-R258 WeakPolarHBondContact OE2-CD 3.34Å; E255-R258 IonicContact OE2-NH1 3.96Å; E255-R258 PolarHBondContact OE2-NH1 2.83Å; E255-L259 HydrophobicContact CG-CD1 4.37Å; E255-L259 WeakPolarHBondContact O-CB 3.34Å; E255-L259 WeakPolarHBondContact O-CD1 3.41Å; E255-L259 WeakPolarHBondContact O-CG 3.28Å; E255-L259 PolarHBondContact O-N 3.37Å
256L79.6Confident70.5Confident112 Ų112106.7 Ų106.759%0.58655%0.55SS*.Hα-helixtrans-66-40.9171.3-173.365.3000112.1P252 L259 T260P252-L256 WeakPolarHBondContact O-CB 3.37Å; P252-L256 PolarHBondContact O-N 2.99Å; L256-L259 PolarHBondContact O-N 3.31Å; L256-T260 VanDerWaalsContact O-CB 3.25Å; L256-T260 WeakPolarHBondContact O-CB 3.25Å; L256-T260 PolarHBondContact O-N 3.45Å; L256-T260 PolarHBondContact O-OG1 2.91Å
257D84.9Confident71.8Confident66 Ų66107.3 Ų107.335%0.35355%0.546SS..Hα-helixtrans-65.1-40.6174168.979.6000111.4E253 D254 T260 K261E253-D257 WeakPolarHBondContact O-CB 2.85Å; E253-D257 PolarHBondContact O-N 2.92Å; D254-D257 PolarHBondContact O-N 2.8Å; D257-T260 PolarHBondContact O-N 2.76Å; D257-K261 VanDerWaalsContact O-CB 3.27Å; D257-K261 WeakPolarHBondContact O-CB 3.45Å; D257-K261 WeakPolarHBondContact O-CG 3.48Å; D257-K261 PolarHBondContact O-N 3.42Å; D257-K261 WeakPolarHBondContact OD1-CE 3.24Å; D257-K261 IonicContact OD1-NZ 2.88Å; D257-K261 PolarHBondContact OD1-NZ 3.17Å; D257-K261 WeakPolarHBondContact OD2-CD 3.34Å; D257-K261 WeakPolarHBondContact OD2-CE 3.22Å; D257-K261 IonicContact OD2-NZ 2.66Å; D257-K261 PolarHBondContact OD2-NZ 2.97Å
258R85.3Confident73.3Confident151 Ų151105.3 Ų105.357%0.5754%0.541SS*.Hα-helixtrans-61.7-47.1172-78.4169.1143.6-164.4-2.8112.9D254 E255 T260 K261 K262D254-R258 WeakPolarHBondContact O-CB 3.47Å; D254-R258 VanDerWaalsContact O-CG 3.27Å; D254-R258 WeakPolarHBondContact O-CG 3.27Å; D254-R258 PolarHBondContact O-N 2.86Å; E255-R258 PolarHBondContact O-N 3.05Å; E255-R258 WeakPolarHBondContact OE2-CD 3.34Å; E255-R258 IonicContact OE2-NH1 3.96Å; E255-R258 PolarHBondContact OE2-NH1 2.83Å; R258-T260 VanDerWaalsContact C-N 3.33Å; R258-K261 PolarHBondContact O-N 3.38Å; R258-K262 WeakPolarHBondContact O-CB 3.4Å; R258-K262 PolarHBondContact O-N 3.13Å
259L84.4Confident74.1Confident88 Ų88104.7 Ų104.746%0.46153%0.534SS..Hα-helixtrans-62.7-41.4175.6-72.5166.8000110.9E255 L256 K262 L263E255-L259 HydrophobicContact CG-CD1 4.37Å; E255-L259 WeakPolarHBondContact O-CB 3.34Å; E255-L259 WeakPolarHBondContact O-CD1 3.41Å; E255-L259 WeakPolarHBondContact O-CG 3.28Å; E255-L259 PolarHBondContact O-N 3.37Å; L256-L259 PolarHBondContact O-N 3.31Å; L259-K262 PolarHBondContact O-N 2.82Å; L259-L263 WeakPolarHBondContact O-CB 3.47Å; L259-L263 VanDerWaalsContact O-CG 3.26Å; L259-L263 WeakPolarHBondContact O-CG 3.38Å; L259-L263 PolarHBondContact O-N 3.44Å
260T87.1Confident74.6Confident69 Ų69103.5 Ų103.542%0.42352%0.524SS..Hα-helixtrans-66.5-45.5177.4-56.80000111.2L256 D257 R258 K262 L263 V264L256-T260 VanDerWaalsContact O-CB 3.25Å; L256-T260 WeakPolarHBondContact O-CB 3.25Å; L256-T260 PolarHBondContact O-N 3.45Å; L256-T260 PolarHBondContact O-OG1 2.91Å; D257-T260 PolarHBondContact O-N 2.76Å; R258-T260 VanDerWaalsContact C-N 3.33Å; T260-K262 VanDerWaalsContact C-N 3.3Å; T260-K262 PolarHBondContact O-N 3.43Å; T260-L263 PolarHBondContact O-N 3.31Å; T260-V264 HydrophobicContact CG2-CG2 4.41Å; T260-V264 WeakPolarHBondContact O-CB 3.32Å; T260-V264 VanDerWaalsContact O-CG2 3.25Å; T260-V264 WeakPolarHBondContact O-CG2 3.27Å; T260-V264 PolarHBondContact O-N 3.36Å
261K86Confident74.7Confident130 Ų130102.3 Ų102.357%0.56553%0.528SS*.Hα-helixtrans-62.8-36.1174.6-78.6170.2178.8155.80112D257 R258 H265D257-K261 VanDerWaalsContact O-CB 3.27Å; D257-K261 WeakPolarHBondContact O-CB 3.45Å; D257-K261 WeakPolarHBondContact O-CG 3.48Å; D257-K261 PolarHBondContact O-N 3.42Å; D257-K261 WeakPolarHBondContact OD1-CE 3.24Å; D257-K261 IonicContact OD1-NZ 2.88Å; D257-K261 PolarHBondContact OD1-NZ 3.17Å; D257-K261 WeakPolarHBondContact OD2-CD 3.34Å; D257-K261 WeakPolarHBondContact OD2-CE 3.22Å; D257-K261 IonicContact OD2-NZ 2.66Å; D257-K261 PolarHBondContact OD2-NZ 2.97Å; R258-K261 PolarHBondContact O-N 3.38Å; K261-H265 WeakPolarHBondContact O-CB 3.02Å; K261-H265 PolarHBondContact O-N 2.97Å
262K80.8Confident74.7Confident131 Ų131104.7 Ų104.757%0.5755%0.546SS*.Hα-helixtrans-67.3-48.8173.1-172-179.9176.5-173.80111.6R258 L259 T260 V264 H265 D266R258-K262 WeakPolarHBondContact O-CB 3.4Å; R258-K262 PolarHBondContact O-N 3.13Å; L259-K262 PolarHBondContact O-N 2.82Å; T260-K262 VanDerWaalsContact C-N 3.3Å; T260-K262 PolarHBondContact O-N 3.43Å; K262-V264 VanDerWaalsContact C-N 3.31Å; K262-V264 PolarHBondContact O-N 3.48Å; K262-H265 CarbonylContact O-C 3.6Å; K262-H265 WeakPolarHBondContact O-CA 3.34Å; K262-H265 WeakPolarHBondContact O-CB 3.18Å; K262-H265 PolarHBondContact O-N 2.89Å; K262-D266 WeakPolarHBondContact O-CB 3.48Å; K262-D266 PolarHBondContact O-N 2.66Å
263L79.8Confident74.6Confident120 Ų120101.1 Ų101.163%0.62853%0.53SS*.Hα-helixtrans-59.8-40.4175.9-71.9166.2000112L259 T260 M267L259-L263 WeakPolarHBondContact O-CB 3.47Å; L259-L263 VanDerWaalsContact O-CG 3.26Å; L259-L263 WeakPolarHBondContact O-CG 3.38Å; L259-L263 PolarHBondContact O-N 3.44Å; T260-L263 PolarHBondContact O-N 3.31Å; L263-M267 WeakPolarHBondContact O-CB 3.12Å; L263-M267 PolarHBondContact O-N 2.88Å
264V84.1Confident74.5Confident67 Ų67101 Ų10141%0.40653%0.529SS..Hα-helixtrans-68-35.9173.8170.30000111.3T260 K262 N268T260-V264 HydrophobicContact CG2-CG2 4.41Å; T260-V264 WeakPolarHBondContact O-CB 3.32Å; T260-V264 VanDerWaalsContact O-CG2 3.25Å; T260-V264 WeakPolarHBondContact O-CG2 3.27Å; T260-V264 PolarHBondContact O-N 3.36Å; K262-V264 VanDerWaalsContact C-N 3.31Å; K262-V264 PolarHBondContact O-N 3.48Å; V264-N268 WeakPolarHBondContact O-CB 3.42Å; V264-N268 PolarHBondContact O-N 2.87Å; V264-N268 PolarHBondContact O-ND2 2.8Å
265H79Confident74.4Confident104 Ų104104.2 Ų104.248%0.48154%0.537SS..Hα-helixtrans-65.6-51.1173.8-175.687.2000111.2K261 K262 M267 N268 H269K261-H265 WeakPolarHBondContact O-CB 3.02Å; K261-H265 PolarHBondContact O-N 2.97Å; K262-H265 CarbonylContact O-C 3.6Å; K262-H265 WeakPolarHBondContact O-CA 3.34Å; K262-H265 WeakPolarHBondContact O-CB 3.18Å; K262-H265 PolarHBondContact O-N 2.89Å; H265-M267 PolarHBondContact O-N 2.96Å; H265-N268 CarbonylContact O-C 3.59Å; H265-N268 PolarHBondContact O-N 3.23Å; H265-N268 VanDerWaalsContact O-N 3.12Å; H265-H269 AromaticContact CD2-ND1 3.85Å; H265-H269 AromaticContact CE1-CE1 3.33Å; H265-H269 PolarHBondContact CE1-CE1 3.2Å; H265-H269 AromaticContact CE1-ND1 3.43Å; H265-H269 PolarHBondContact CE1-ND1 3.25Å; H265-H269 AromaticContact CE1-NE2 3.92Å; H265-H269 AromaticContact CG-ND1 3.7Å; H265-H269 AromaticContact ND1-CE1 3.38Å; H265-H269 PolarHBondContact ND1-CE1 3.42Å; H265-H269 AromaticContact ND1-ND1 3.44Å; H265-H269 PolarHBondContact ND1-ND1 3.41Å; H265-H269 AromaticContact NE2-ND1 3.7Å; H265-H269 WeakPolarHBondContact O-CB 3.45Å; H265-H269 PolarHBondContact O-N 3.07Å; H265-H269 PolarHBondContact O-ND1 2.86Å
266D73.3Confident74.1Confident80 Ų80102.3 Ų102.343%0.42853%0.527SS..Hα-helixtrans-63.6-28.7179.1-60.6-14.4000111.7K262 H269K262-D266 WeakPolarHBondContact O-CB 3.48Å; K262-D266 PolarHBondContact O-N 2.66Å; D266-H269 CarbonylContact O-C 3.55Å; D266-H269 VanDerWaalsContact O-C 3.3Å
267M71.4Confident74.2Confident137 Ų13797.7 Ų97.768%0.67551%0.507SS*.Hα-helixtrans-79.3-29.9173.7-174.8-179.669.700113.8L263 H265L263-M267 WeakPolarHBondContact O-CB 3.12Å; L263-M267 PolarHBondContact O-N 2.88Å; H265-M267 PolarHBondContact O-N 2.96Å
268N72.9Confident74.2Confident110 Ų110100.4 Ų100.459%0.58852%0.517SS*.Hα-helixtrans-87.9-17.2174.1-77.9-84.6000112.9V264 H265 P270V264-N268 WeakPolarHBondContact O-CB 3.42Å; V264-N268 PolarHBondContact O-N 2.87Å; V264-N268 PolarHBondContact O-ND2 2.8Å; H265-N268 CarbonylContact O-C 3.59Å; H265-N268 PolarHBondContact O-N 3.23Å; H265-N268 VanDerWaalsContact O-N 3.12Å; N268-P270 WeakPolarHBondContact O-CD 3.44Å
269H62.8Low74.3Confident118 Ų11893.2 Ų93.255%0.54649%0.49SS..SBendtrans-118.761.4170.5-51.780.6000108.6H265 D266H265-H269 AromaticContact CD2-ND1 3.85Å; H265-H269 AromaticContact CE1-CE1 3.33Å; H265-H269 PolarHBondContact CE1-CE1 3.2Å; H265-H269 AromaticContact CE1-ND1 3.43Å; H265-H269 PolarHBondContact CE1-ND1 3.25Å; H265-H269 AromaticContact CE1-NE2 3.92Å; H265-H269 AromaticContact CG-ND1 3.7Å; H265-H269 AromaticContact ND1-CE1 3.38Å; H265-H269 PolarHBondContact ND1-CE1 3.42Å; H265-H269 AromaticContact ND1-ND1 3.44Å; H265-H269 PolarHBondContact ND1-ND1 3.41Å; H265-H269 AromaticContact NE2-ND1 3.7Å; H265-H269 WeakPolarHBondContact O-CB 3.45Å; H265-H269 PolarHBondContact O-N 3.07Å; H265-H269 PolarHBondContact O-ND1 2.86Å; D266-H269 CarbonylContact O-C 3.55Å; D266-H269 VanDerWaalsContact O-C 3.3Å
270P56.9Low74.2Confident80 Ų8089.9 Ų89.952%0.51948%0.477SS..  trans-55.6140.7175.127.1-34.7000108.4N268 S272N268-P270 WeakPolarHBondContact O-CD 3.44Å; P270-S272 PolarHBondContact O-N 2.77Å
271P57.2Low74.1Confident116 Ų11689.1 Ų89.175%0.75348%0.483SS*.  trans-52.2120.8175.722.7-32.8000107.8G273P271-G273 VanDerWaalsContact C-N 3.34Å; P271-G273 PolarHBondContact O-N 3.28Å
272S57.6Low74.1Confident99 Ų9985.6 Ų85.669%0.69247%0.474SS*.SBendtrans-7386.4-155.954.70000111.2P270 V287P270-S272 PolarHBondContact O-N 2.77Å; S272-V287 WeakPolarHBondContact O-CG1 3.48Å
273G59.3Low74.2Confident38 Ų3881.4 Ų81.439%0.39247%0.467SS..SBendtrans76.9156.5-168.200000112.4P271 Y275P271-G273 VanDerWaalsContact C-N 3.34Å; P271-G273 PolarHBondContact O-N 3.28Å; G273-Y275 PolarHBondContact O-N 3.12Å
274E64.7Low74.4Confident131 Ų13182.1 Ų82.161%0.61247%0.468SS*.  trans-62133.7167.9-66.7-163.617200109.7F276 G288E274-F276 HydrophobicContact CB-CE1 4.3Å; E274-F276 HydrophobicContact CB-CE2 3.76Å; E274-F276 HydrophobicContact CB-CZ 3.61Å; E274-F276 WeakPolarHBondContact O-CD2 3.05Å; E274-F276 VanDerWaalsContact O-CE2 3.23Å; E274-F276 WeakPolarHBondContact O-CE2 3.27Å; E274-G288 PolarHBondContact O-N 3.35Å; E274-G288 VanDerWaalsContact O-N 3.07Å
275Y74.7Confident74.4Confident143 Ų14382.6 Ų82.656%0.56147%0.468SS*.EExtended strand (participates in β ladder)trans-89.4106-179.8171.1-102.6000109.4G273 D285G273-Y275 PolarHBondContact O-N 3.12Å; Y275-D285 HydrophobicContact CD2-CB 4.43Å; Y275-D285 HydrophobicContact CE2-CB 3.85Å; Y275-D285 WeakPolarHBondContact CE2-OD1 3.49Å; Y275-D285 PolarHBondContact OH-OD1 2.68Å
276F74.9Confident74.6Confident59 Ų5977.6 Ų77.626%0.25945%0.445SS..EExtended strand (participates in β ladder)trans-87.2-10.6-176.8-63-79000113.1E274 V286 G288 V299E274-F276 HydrophobicContact CB-CE1 4.3Å; E274-F276 HydrophobicContact CB-CE2 3.76Å; E274-F276 HydrophobicContact CB-CZ 3.61Å; E274-F276 WeakPolarHBondContact O-CD2 3.05Å; E274-F276 VanDerWaalsContact O-CE2 3.23Å; E274-F276 WeakPolarHBondContact O-CE2 3.27Å; F276-V286 HydrophobicContact CB-CB 4.41Å; F276-V286 HydrophobicContact CB-CG1 4.34Å; F276-V286 PolarHBondContact N-O 2.81Å; F276-G288 WeakPolarHBondContact CE2-O 3.26Å; F276-V299 HydrophobicContact CB-CG1 4.17Å; F276-V299 WeakPolarHBondContact O-CG2 3.17Å
277G81.9Confident74.9Confident15 Ų1576.9 Ų76.916%0.15544%0.443CS..EExtended strand (participates in β ladder)trans109.4171.6177.700000114.4V286G277-V286 VanDerWaalsContact O-CB 3.24Å; G277-V286 WeakPolarHBondContact O-CB 3.23Å; G277-V286 WeakPolarHBondContact O-CG2 3.47Å; G277-V286 PolarHBondContact O-N 3.35Å
278Q85.1Confident74.9Confident122 Ų12271.1 Ų71.157%0.5742%0.419SS*.EExtended strand (participates in β ladder)trans-65.9133.9-177.9-76.6176.3-4.900113.5G280 G283 D285Q278-G280 PolarHBondContact O-N 3.37Å; Q278-G283 WeakPolarHBondContact CB-O 3.46Å; Q278-G283 WeakPolarHBondContact CG-O 3.32Å; Q278-D285 WeakPolarHBondContact CG-OD1 3.18Å
279C86.7Confident74.3Confident0 Ų072.2 Ų72.20%043%0.425CS..BIsolated β-bridgetrans-67.1118-179.7179.10000111.2G281 C282 G283 E284 V286 V299 H301C279-G281 PolarHBondContact O-N 3.04Å; C279-C282 WeakPolarHBondContact CB-SG 3.28Å; C279-C282 PolarHBondContact O-N 2.87Å; C279-C282 PolarHBondContact SG-SG 3.16Å; C279-G283 PolarHBondContact O-N 2.87Å; C279-E284 WeakPolarHBondContact CB-O 3.29Å; C279-E284 PolarHBondContact N-O 2.85Å; C279-V286 HydrophobicContact CB-CG2 3.64Å; C279-V299 CarbonylContact C-O 3.3Å; C279-V299 WeakPolarHBondContact CA-O 3.46Å; C279-H301 PolarHBondContact SG-N 2.8Å; C279-H301 VanDerWaalsContact SG-N 3.36Å
280G82.9Confident74.3Confident18 Ų1869.4 Ų69.419%0.18643%0.428CS..THydrogen-bonded Turntrans-63-11.1-179.100000116Q278 R298 V299Q278-G280 PolarHBondContact O-N 3.37Å; G280-R298 VanDerWaalsContact CA-NH1 3.29Å; G280-R298 PolarHBondContact O-NH1 3.42Å; G280-V299 PolarHBondContact N-O 2.93Å
281G83.3Confident74.9Confident53 Ų5367.3 Ų67.355%0.54642%0.418SS..THydrogen-bonded Turntrans-107.5-18.4178.600000115.8C279C279-G281 PolarHBondContact O-N 3.04Å
282C86.5Confident75.9Confident57 Ų5762.9 Ų62.939%0.38539%0.393SS..THydrogen-bonded Turntrans-136.5-2.2-179.267.90000115.6C279 E284 H301C279-C282 WeakPolarHBondContact CB-SG 3.28Å; C279-C282 PolarHBondContact O-N 2.87Å; C279-C282 PolarHBondContact SG-SG 3.16Å; C282-E284 PolarHBondContact O-N 2.85Å; C282-E284 VanDerWaalsContact O-N 3.07Å; C282-H301 PolarHBondContact SG-ND1 3.04Å; C282-H301 VanDerWaalsContact SG-ND1 3.44Å
283G83.5Confident77.1Confident42 Ų4259.5 Ų59.543%0.43337%0.368SS..SBendtrans82.9-43.9-179.300000113.7Q278 C279Q278-G283 WeakPolarHBondContact CB-O 3.46Å; Q278-G283 WeakPolarHBondContact CG-O 3.32Å; C279-G283 PolarHBondContact O-N 2.87Å
284E84.6Confident78.2Confident135 Ų13560.3 Ų60.363%0.63137%0.365SS*.SBendtrans-51.5146.7179.8-54.5-54.3131.100114.3C279 C282C279-E284 WeakPolarHBondContact CB-O 3.29Å; C279-E284 PolarHBondContact N-O 2.85Å; C282-E284 PolarHBondContact O-N 2.85Å; C282-E284 VanDerWaalsContact O-N 3.07Å
285D82.9Confident79Confident77 Ų7754.6 Ų54.641%0.41234%0.34SS..EExtended strand (participates in β ladder)trans-68131.4-178.3-68-39.8000112.9Y275 Q278 V287Y275-D285 HydrophobicContact CD2-CB 4.43Å; Y275-D285 HydrophobicContact CE2-CB 3.85Å; Y275-D285 WeakPolarHBondContact CE2-OD1 3.49Å; Y275-D285 PolarHBondContact OH-OD1 2.68Å; Q278-D285 WeakPolarHBondContact CG-OD1 3.18Å; D285-V287 HydrophobicContact CB-CG2 4.14Å
286V83.9Confident79.3Confident0 Ų049.3 Ų49.30%032%0.322CS..EExtended strand (participates in β ladder)trans-89.9112.7177-174.10000109.5F276 G277 C279 A291 V299F276-V286 HydrophobicContact CB-CB 4.41Å; F276-V286 HydrophobicContact CB-CG1 4.34Å; F276-V286 PolarHBondContact N-O 2.81Å; G277-V286 VanDerWaalsContact O-CB 3.24Å; G277-V286 WeakPolarHBondContact O-CB 3.23Å; G277-V286 WeakPolarHBondContact O-CG2 3.47Å; G277-V286 PolarHBondContact O-N 3.35Å; C279-V286 HydrophobicContact CB-CG2 3.64Å; V286-A291 HydrophobicContact CG1-CB 4.46Å; V286-V299 HydrophobicContact CB-CG1 4.07Å; V286-V299 HydrophobicContact CG1-CG1 3.99Å; V286-V299 HydrophobicContact CG2-CG1 4.03Å
287V79.7Confident79.6Confident64 Ų6453.3 Ų53.339%0.38835%0.346SS..EExtended strand (participates in β ladder)trans-127.3132-167.9178.20000111S272 D285 A291S272-V287 WeakPolarHBondContact O-CG1 3.48Å; D285-V287 HydrophobicContact CB-CG2 4.14Å; V287-A291 WeakPolarHBondContact O-CB 3.43Å
288G70Confident79.7Confident17 Ų1758.7 Ų58.718%0.17536%0.361CS..SBendtrans90.4152171.700000115.7E274 F276 G290 A291E274-G288 PolarHBondContact O-N 3.35Å; E274-G288 VanDerWaalsContact O-N 3.07Å; F276-G288 WeakPolarHBondContact CE2-O 3.26Å; G288-G290 PolarHBondContact O-N 3.44Å; G288-A291 VanDerWaalsContact O-CB 3.28Å; G288-A291 WeakPolarHBondContact O-CB 3.25Å; G288-A291 PolarHBondContact O-N 2.88Å; G288-A291 VanDerWaalsContact O-N 3.14Å
289D60.3Low79.7Confident132 Ų13253.9 Ų53.971%0.70634%0.34SS*.THydrogen-bonded Turntrans-62.8122.1-164.1-58.1-48.7000113.3A291D289-A291 VanDerWaalsContact C-N 3.27Å; D289-A291 PolarHBondContact O-N 3.34Å
290G64.6Low79.7Confident59 Ų5955 Ų5561%0.60835%0.345SS*.THydrogen-bonded Turntrans772.1179.400000115.7G288 G292G288-G290 PolarHBondContact O-N 3.44Å; G290-G292 PolarHBondContact O-N 3.48Å
291A68.9Low79.9Confident37 Ų3756.4 Ų56.431%0.30635%0.347SS..SBendtrans-70.2-20.7173.900000113.4V286 V287 G288 D289 V302V286-A291 HydrophobicContact CG1-CB 4.46Å; V287-A291 WeakPolarHBondContact O-CB 3.43Å; G288-A291 VanDerWaalsContact O-CB 3.28Å; G288-A291 WeakPolarHBondContact O-CB 3.25Å; G288-A291 PolarHBondContact O-N 2.88Å; G288-A291 VanDerWaalsContact O-N 3.14Å; D289-A291 VanDerWaalsContact C-N 3.27Å; D289-A291 PolarHBondContact O-N 3.34Å; A291-V302 PolarHBondContact O-N 3.12Å
292G76.9Confident79.9Confident22 Ų2255.6 Ų55.623%0.22733%0.331CS..EExtended strand (participates in β ladder)trans-109.3157.1-179.800000115.1G290 F300G290-G292 PolarHBondContact O-N 3.48Å; G292-F300 CarbonylContact C-O 3.53Å; G292-F300 WeakPolarHBondContact CA-O 3.36Å
293V83Confident79.8Confident29 Ų2955.1 Ų55.118%0.17634%0.336CS..EExtended strand (participates in β ladder)trans-123.3137.8158.9-64.80000109.1V299 F300 V302 F305V293-V299 WeakPolarHBondContact O-CA 3.46Å; V293-F300 HydrophobicContact CG2-CB 4.17Å; V293-F300 PolarHBondContact N-O 3.49Å; V293-F300 PolarHBondContact O-N 3.25Å; V293-V302 HydrophobicContact CG1-CG2 4.44Å; V293-F305 HydrophobicContact CG2-CB 3.63Å; V293-F305 HydrophobicContact CG2-CD1 4.02Å; V293-F305 HydrophobicContact CG2-CD2 4.33Å; V293-F305 HydrophobicContact CG2-CG 3.74Å
294V83.9Confident79.9Confident55 Ų5555.2 Ų55.233%0.33333%0.329SS..EExtended strand (participates in β ladder)trans-95.7123.2176.1-168.60000108.9A160 V299A160-V294 HydrophobicContact CB-CG2 4.23Å; V294-V299 HydrophobicContact CG2-CG2 4.12Å
295A79.7Confident80Confident11 Ų1149.3 Ų49.39%0.09130%0.302CS..EExtended strand (participates in β ladder)trans-156.8150.117900000110.4D297 R298 F300 F305 F319A295-D297 PolarHBondContact O-N 2.79Å; A295-R298 PolarHBondContact N-O 3.42Å; A295-R298 CarbonylContact O-C 3.57Å; A295-R298 PolarHBondContact O-N 3.39Å; A295-F300 WeakPolarHBondContact O-CE2 3.34Å; A295-F305 HydrophobicContact CB-CD2 4.34Å; A295-F305 HydrophobicContact CB-CE2 3.56Å; A295-F305 HydrophobicContact CB-CZ 3.8Å; A295-F319 HydrophobicContact CB-CE2 4.41Å; A295-F319 HydrophobicContact CB-CZ 4.05Å
296L82.1Confident80.4Confident32 Ų3247.4 Ų47.417%0.16829%0.292CS..THydrogen-bonded Turntrans55.535.7176-45.8177000113.6R298 F319 A321 A326L296-R298 PolarHBondContact O-N 2.98Å; L296-F319 HydrophobicContact CD2-CE2 4.43Å; L296-A321 HydrophobicContact CD2-CB 3.32Å; L296-A326 HydrophobicContact CD1-CB 4.18Å
297D80.4Confident80.7Confident143 Ų14347.4 Ų47.477%0.76529%0.292SS*.THydrogen-bonded Turntrans60.620.5-174.9-38.3-45.4000115A295 R324A295-D297 PolarHBondContact O-N 2.79Å; D297-R324 IonicContact OD2-NH1 3.78Å; D297-R324 PolarHBondContact OD2-NH1 2.87Å
298R83.8Confident81.2Confident127 Ų12746 Ų4648%0.47929%0.286SS..EExtended strand (participates in β ladder)trans-137.1160.1179-56.2-176.880.1-158.22.7110.9G280 A295 L296 F300G280-R298 VanDerWaalsContact CA-NH1 3.29Å; G280-R298 PolarHBondContact O-NH1 3.42Å; A295-R298 PolarHBondContact N-O 3.42Å; A295-R298 CarbonylContact O-C 3.57Å; A295-R298 PolarHBondContact O-N 3.39Å; L296-R298 PolarHBondContact O-N 2.98Å; R298-F300 HydrophobicContact CB-CE2 3.87Å; R298-F300 HydrophobicContact CB-CZ 4.35Å
299V86.3Confident82.1Confident22 Ų2249.6 Ų49.613%0.13330%0.304CS..EExtended strand (participates in β ladder)trans-94.6143.3172.1-169.70000109.3F276 C279 G280 V286 V293 V294F276-V299 HydrophobicContact CB-CG1 4.17Å; F276-V299 WeakPolarHBondContact O-CG2 3.17Å; C279-V299 CarbonylContact C-O 3.3Å; C279-V299 WeakPolarHBondContact CA-O 3.46Å; G280-V299 PolarHBondContact N-O 2.93Å; V286-V299 HydrophobicContact CB-CG1 4.07Å; V286-V299 HydrophobicContact CG1-CG1 3.99Å; V286-V299 HydrophobicContact CG2-CG1 4.03Å; V293-V299 WeakPolarHBondContact O-CA 3.46Å; V294-V299 HydrophobicContact CG2-CG2 4.12Å
300F87.2Confident83.5Confident22 Ų2246.4 Ų46.410%0.09629%0.292CS..EExtended strand (participates in β ladder)trans-131.6140.4175.5-65.6-98.2000110G292 V293 A295 R298 F305G292-F300 CarbonylContact C-O 3.53Å; G292-F300 WeakPolarHBondContact CA-O 3.36Å; V293-F300 HydrophobicContact CG2-CB 4.17Å; V293-F300 PolarHBondContact N-O 3.49Å; V293-F300 PolarHBondContact O-N 3.25Å; A295-F300 WeakPolarHBondContact O-CE2 3.34Å; R298-F300 HydrophobicContact CB-CE2 3.87Å; R298-F300 HydrophobicContact CB-CZ 4.35Å; F300-F305 HydrophobicContact CB-CB 4.08Å; F300-F305 HydrophobicContact CB-CD2 4.35Å; F300-F305 HydrophobicContact CD2-CD2 4.15Å; F300-F305 HydrophobicContact CG-CD2 4.17Å
301H87.1Confident84.7Confident49 Ų4952.6 Ų52.623%0.22730%0.297CS..EExtended strand (participates in β ladder)trans-55.1145163.3-71.3120.4000110.3C279 C282 G303 C304 F305C279-H301 PolarHBondContact SG-N 2.8Å; C279-H301 VanDerWaalsContact SG-N 3.36Å; C282-H301 PolarHBondContact SG-ND1 3.04Å; C282-H301 VanDerWaalsContact SG-ND1 3.44Å; H301-G303 PolarHBondContact O-N 2.94Å; H301-G303 VanDerWaalsContact O-N 3.13Å; H301-C304 HydrophobicContact CB-CB 4.01Å; H301-C304 WeakPolarHBondContact O-CA 3.43Å; H301-C304 PolarHBondContact O-N 3.28Å; H301-F305 PolarHBondContact O-N 2.96Å; H301-F305 VanDerWaalsContact O-N 3.13Å
302V83.2Confident85.6Confident36 Ų3653.1 Ų53.122%0.21830%0.301CS..THydrogen-bonded Turntrans-51.5-39.8179.3177.90000112.6A291 V293 R315A291-V302 PolarHBondContact O-N 3.12Å; V293-V302 HydrophobicContact CG1-CG2 4.44Å; V302-R315 HydrophobicContact CG1-CG 4.41Å
303G82.9Confident86.2Confident47 Ų4758.1 Ų58.149%0.48532%0.319SS..THydrogen-bonded Turntrans-78.7-17.8176.700000115.2H301 V306H301-G303 PolarHBondContact O-N 2.94Å; H301-G303 VanDerWaalsContact O-N 3.13Å; G303-V306 WeakPolarHBondContact O-CG1 3.5Å
304C85.8Confident86.3Confident43 Ų4356.9 Ų56.929%0.29131%0.311SS..THydrogen-bonded Turntrans-89.8-15.7177.9-65.80000113.2H301 V306H301-C304 HydrophobicContact CB-CB 4.01Å; H301-C304 WeakPolarHBondContact O-CA 3.43Å; H301-C304 PolarHBondContact O-N 3.28Å; C304-V306 VanDerWaalsContact C-N 3.3Å; C304-V306 PolarHBondContact O-N 3.24Å
305F88.2Confident86.2Confident12 Ų1261.4 Ų61.45%0.05332%0.322CS..  trans-79.978.3176.8-167.8-116.8000111.4V293 A295 F300 H301 L314 F319 A326V293-F305 HydrophobicContact CG2-CB 3.63Å; V293-F305 HydrophobicContact CG2-CD1 4.02Å; V293-F305 HydrophobicContact CG2-CD2 4.33Å; V293-F305 HydrophobicContact CG2-CG 3.74Å; A295-F305 HydrophobicContact CB-CD2 4.34Å; A295-F305 HydrophobicContact CB-CE2 3.56Å; A295-F305 HydrophobicContact CB-CZ 3.8Å; F300-F305 HydrophobicContact CB-CB 4.08Å; F300-F305 HydrophobicContact CB-CD2 4.35Å; F300-F305 HydrophobicContact CD2-CD2 4.15Å; F300-F305 HydrophobicContact CG-CD2 4.17Å; H301-F305 PolarHBondContact O-N 2.96Å; H301-F305 VanDerWaalsContact O-N 3.13Å; F305-L314 HydrophobicContact CD1-CB 3.6Å; F305-L314 HydrophobicContact CE1-CB 3.47Å; F305-L314 VanDerWaalsContact CE1-CB 3.47Å; F305-L314 HydrophobicContact CE1-CD1 4.19Å; F305-L314 HydrophobicContact CE1-CG 4.48Å; F305-L314 HydrophobicContact CZ-CB 4.29Å; F305-L314 HydrophobicContact CZ-CD1 4.21Å; F305-L314 PolarHBondContact O-N 3.36Å; F305-F319 AromaticContact CE1-CD1 3.95Å; F305-F319 HydrophobicContact CE1-CD1 3.95Å; F305-F319 HydrophobicContact CE1-CE1 4.04Å; F305-F319 HydrophobicContact CE1-CG 4.25Å; F305-F319 HydrophobicContact CE1-CZ 4.41Å; F305-F319 AromaticContact CZ-CD1 3.89Å; F305-F319 HydrophobicContact CZ-CD1 3.89Å; F305-F319 AromaticContact CZ-CD2 3.81Å; F305-F319 HydrophobicContact CZ-CD2 3.81Å; F305-F319 AromaticContact CZ-CE1 3.82Å; F305-F319 HydrophobicContact CZ-CE1 3.82Å; F305-F319 AromaticContact CZ-CE2 3.73Å; F305-F319 HydrophobicContact CZ-CE2 3.73Å; F305-F319 AromaticContact CZ-CG 3.89Å; F305-F319 HydrophobicContact CZ-CG 3.89Å; F305-F319 AromaticContact CZ-CZ 3.74Å; F305-F319 HydrophobicContact CZ-CZ 3.74Å; F305-A326 HydrophobicContact CE2-CB 3.91Å; F305-A326 HydrophobicContact CZ-CB 4.22Å
306V90.1Very high86.1Confident36 Ų3663.8 Ų63.822%0.21835%0.347CS..BIsolated β-bridgetrans-120.8155.5-174.3-61.20000112.8G303 C304 S308 R311 A312 Q313G303-V306 WeakPolarHBondContact O-CG1 3.5Å; C304-V306 VanDerWaalsContact C-N 3.3Å; C304-V306 PolarHBondContact O-N 3.24Å; V306-S308 PolarHBondContact O-N 3.26Å; V306-R311 WeakPolarHBondContact CB-O 3.22Å; V306-R311 WeakPolarHBondContact CG1-O 3.39Å; V306-A312 CarbonylContact C-O 3.57Å; V306-A312 VanDerWaalsContact CA-O 3.27Å; V306-A312 WeakPolarHBondContact CA-O 3.44Å; V306-Q313 HydrophobicContact CG1-CG 4.15Å
307C91.3Very high86.1Confident0 Ų067.9 Ų67.90%037%0.366CS..  trans-62.2131173.11760000111.6T309 C310 R311 A312 L314 A326 C328C307-T309 PolarHBondContact O-N 3.35Å; C307-T309 VanDerWaalsContact O-N 3.17Å; C307-T309 PolarHBondContact SG-N 3.2Å; C307-T309 VanDerWaalsContact SG-N 3.38Å; C307-C310 VanDerWaalsContact CB-SG 3.56Å; C307-C310 VanDerWaalsContact SG-SG 3.63Å; C307-R311 VanDerWaalsContact O-CA 3.25Å; C307-R311 WeakPolarHBondContact O-CA 3.27Å; C307-R311 PolarHBondContact O-N 3.18Å; C307-A312 PolarHBondContact N-O 2.98Å; C307-L314 HydrophobicContact CB-CD2 4.24Å; C307-A326 WeakPolarHBondContact CA-O 3.21Å; C307-C328 HydrophobicContact CB-CB 4.35Å
308S89.6Confident86.2Confident36 Ų3665 Ų6525%0.25235%0.348SS..THydrogen-bonded Turntrans-57.5-26.8176.9-95.40000115V306 R325 A326V306-S308 PolarHBondContact O-N 3.26Å; S308-R325 PolarHBondContact OG-NE 3.28Å; S308-R325 PolarHBondContact OG-NH2 3.46Å; S308-A326 PolarHBondContact N-O 2.85Å
309T89Confident86.4Confident91 Ų9159.5 Ų59.556%0.55833%0.327SS*.THydrogen-bonded Turntrans-95.3-55.2-176.9-48.20000112.3C307 Y327C307-T309 PolarHBondContact O-N 3.35Å; C307-T309 VanDerWaalsContact O-N 3.17Å; C307-T309 PolarHBondContact SG-N 3.2Å; C307-T309 VanDerWaalsContact SG-N 3.38Å; T309-Y327 WeakPolarHBondContact OG1-CE1 3.36Å
310C90.4Very high86.5Confident66 Ų6659.9 Ų59.945%0.44633%0.327SS..THydrogen-bonded Turntrans-103.1-0.9-172.8670000115C307 A312 C328C307-C310 VanDerWaalsContact CB-SG 3.56Å; C307-C310 VanDerWaalsContact SG-SG 3.63Å; C310-A312 PolarHBondContact O-N 2.85Å; C310-C328 VanDerWaalsContact SG-SG 3.66Å
311R89.1Confident86.6Confident188 Ų18861.7 Ų61.771%0.70935%0.346SS*.  trans56.69.9-177.1-57.2-60.2-168.21032.2116.2V306 C307V306-R311 WeakPolarHBondContact CB-O 3.22Å; V306-R311 WeakPolarHBondContact CG1-O 3.39Å; C307-R311 VanDerWaalsContact O-CA 3.25Å; C307-R311 WeakPolarHBondContact O-CA 3.27Å; C307-R311 PolarHBondContact O-N 3.18Å
312A88.4Confident86.5Confident49 Ų4961.9 Ų61.941%0.40535%0.35SS..  trans-62.2140.7171.100000111.2V306 C307 C310V306-A312 CarbonylContact C-O 3.57Å; V306-A312 VanDerWaalsContact CA-O 3.27Å; V306-A312 WeakPolarHBondContact CA-O 3.44Å; C307-A312 PolarHBondContact N-O 2.98Å; C310-A312 PolarHBondContact O-N 2.85Å
313Q87.9Confident86.6Confident127 Ų12768 Ų6859%0.59338%0.376SS*.BIsolated β-bridgetrans-67137.5175.8-66.3176.9400110.7V306V306-Q313 HydrophobicContact CG1-CG 4.15Å
314L86.9Confident86.5Confident3 Ų374.5 Ų74.52%0.01639%0.386CS..  trans-101.32.9-175.8-63.1173.3000113.4F305 C307 G316 Q317 F319 A326 C328F305-L314 HydrophobicContact CD1-CB 3.6Å; F305-L314 HydrophobicContact CE1-CB 3.47Å; F305-L314 VanDerWaalsContact CE1-CB 3.47Å; F305-L314 HydrophobicContact CE1-CD1 4.19Å; F305-L314 HydrophobicContact CE1-CG 4.48Å; F305-L314 HydrophobicContact CZ-CB 4.29Å; F305-L314 HydrophobicContact CZ-CD1 4.21Å; F305-L314 PolarHBondContact O-N 3.36Å; C307-L314 HydrophobicContact CB-CD2 4.24Å; L314-G316 PolarHBondContact O-N 3.43Å; L314-Q317 PolarHBondContact O-N 3.36Å; L314-F319 HydrophobicContact CB-CB 4.42Å; L314-F319 HydrophobicContact CD1-CB 4Å; L314-F319 HydrophobicContact CD2-CB 4.22Å; L314-F319 HydrophobicContact CG-CB 4.46Å; L314-A326 HydrophobicContact CD1-CB 3.47Å; L314-A326 VanDerWaalsContact CD1-CB 3.47Å; L314-C328 HydrophobicContact CD2-CB 3.6Å
315R81.7Confident86.5Confident150 Ų15078.2 Ų78.257%0.56639%0.394SS*.THydrogen-bonded Turntrans-60.6120.1179.1-172.9-164.2-178.585.4-4.3110.5V302 Q317V302-R315 HydrophobicContact CG1-CG 4.41Å; R315-Q317 PolarHBondContact O-N 2.9Å
316G77.5Confident86.5Confident60 Ų6078 Ų7862%0.61939%0.394SS*.THydrogen-bonded Turntrans71.714.5177.600000114.6L314L314-G316 PolarHBondContact O-N 3.43Å
317Q81.1Confident86.6Confident119 Ų11977.5 Ų77.556%0.55639%0.389SS*.SBendtrans-117.4152.2173.1-65.3-63.1-48.700109.5L314 R315 F319L314-Q317 PolarHBondContact O-N 3.36Å; R315-Q317 PolarHBondContact O-N 2.9Å; Q317-F319 PolarHBondContact O-N 2.92Å
318H82Confident86.6Confident82 Ų8278.7 Ų78.738%0.3840%0.397SS..  trans-67.6128.2172.641.256.6000110.4P154 E329P154-H318 HydrophobicContact CB-CB 4.15Å; H318-E329 IonicContact CE1-OE2 2.68Å; H318-E329 PolarHBondContact CE1-OE2 3.21Å; H318-E329 VanDerWaalsContact CE1-OE2 3.25Å; H318-E329 IonicContact NE2-OE2 2.95Å
319F89.3Confident86.5Confident11 Ų1181 Ų815%0.04840%0.403CS..EExtended strand (participates in β ladder)trans-124.8153.8178.373-86.1000111.4A155 A295 L296 F305 L314 Q317 A326 Y327A155-F319 HydrophobicContact CB-CD1 4.41Å; A155-F319 HydrophobicContact CB-CD2 3.99Å; A155-F319 HydrophobicContact CB-CE1 3.92Å; A155-F319 HydrophobicContact CB-CE2 3.45Å; A155-F319 VanDerWaalsContact CB-CE2 3.45Å; A155-F319 HydrophobicContact CB-CG 4.45Å; A155-F319 HydrophobicContact CB-CZ 3.4Å; A155-F319 VanDerWaalsContact CB-CZ 3.4Å; A155-F319 PolarHBondContact N-O 3.36Å; A155-F319 WeakPolarHBondContact O-CE1 3.45Å; A295-F319 HydrophobicContact CB-CE2 4.41Å; A295-F319 HydrophobicContact CB-CZ 4.05Å; L296-F319 HydrophobicContact CD2-CE2 4.43Å; F305-F319 AromaticContact CE1-CD1 3.95Å; F305-F319 HydrophobicContact CE1-CD1 3.95Å; F305-F319 HydrophobicContact CE1-CE1 4.04Å; F305-F319 HydrophobicContact CE1-CG 4.25Å; F305-F319 HydrophobicContact CE1-CZ 4.41Å; F305-F319 AromaticContact CZ-CD1 3.89Å; F305-F319 HydrophobicContact CZ-CD1 3.89Å; F305-F319 AromaticContact CZ-CD2 3.81Å; F305-F319 HydrophobicContact CZ-CD2 3.81Å; F305-F319 AromaticContact CZ-CE1 3.82Å; F305-F319 HydrophobicContact CZ-CE1 3.82Å; F305-F319 AromaticContact CZ-CE2 3.73Å; F305-F319 HydrophobicContact CZ-CE2 3.73Å; F305-F319 AromaticContact CZ-CG 3.89Å; F305-F319 HydrophobicContact CZ-CG 3.89Å; F305-F319 AromaticContact CZ-CZ 3.74Å; F305-F319 HydrophobicContact CZ-CZ 3.74Å; L314-F319 HydrophobicContact CB-CB 4.42Å; L314-F319 HydrophobicContact CD1-CB 4Å; L314-F319 HydrophobicContact CD2-CB 4.22Å; L314-F319 HydrophobicContact CG-CB 4.46Å; Q317-F319 PolarHBondContact O-N 2.92Å; F319-A326 HydrophobicContact CD2-CB 4.4Å; F319-Y327 CarbonylContact C-O 3.52Å; F319-Y327 VanDerWaalsContact CA-O 3.32Å; F319-Y327 WeakPolarHBondContact CA-O 3.44Å
320Y88Confident86.4Confident31 Ų3179.2 Ų79.212%0.12240%0.403CS..EExtended strand (participates in β ladder)trans-112.5134.7178.8-67.2-84.9000110.3P152 Y327 E329 Y332P152-Y320 HydrophobicContact CB-CE1 4.27Å; P152-Y320 HydrophobicContact CG-CE1 4.49Å; Y320-Y327 PolarHBondContact N-O 3.05Å; Y320-Y327 PolarHBondContact O-N 2.99Å; Y320-E329 HydrophobicContact CE2-CB 3.97Å; Y320-E329 HydrophobicContact CE2-CG 4.2Å; Y320-Y332 AromaticContact CD1-CD1 3.63Å; Y320-Y332 HydrophobicContact CD1-CD1 3.63Å; Y320-Y332 AromaticContact CD1-CE1 3.48Å; Y320-Y332 HydrophobicContact CD1-CE1 3.48Å; Y320-Y332 VanDerWaalsContact CD1-CE1 3.48Å; Y320-Y332 HydrophobicContact CD1-CG 4.23Å; Y320-Y332 AromaticContact CD1-CZ 3.98Å; Y320-Y332 AromaticContact CD2-CD1 3.42Å; Y320-Y332 HydrophobicContact CD2-CD1 3.42Å; Y320-Y332 VanDerWaalsContact CD2-CD1 3.42Å; Y320-Y332 HydrophobicContact CD2-CE1 4.17Å; Y320-Y332 AromaticContact CD2-CG 3.73Å; Y320-Y332 HydrophobicContact CD2-CG 3.73Å; Y320-Y332 AromaticContact CE1-CD1 3.99Å; Y320-Y332 HydrophobicContact CE1-CD1 3.99Å; Y320-Y332 AromaticContact CE1-CE1 3.77Å; Y320-Y332 HydrophobicContact CE1-CE1 3.77Å; Y320-Y332 AromaticContact CE2-CD1 3.8Å; Y320-Y332 HydrophobicContact CE2-CD1 3.8Å; Y320-Y332 HydrophobicContact CE2-CE1 4.4Å; Y320-Y332 AromaticContact CG-CD1 3.33Å; Y320-Y332 HydrophobicContact CG-CD1 3.33Å; Y320-Y332 HydrophobicContact CG-CD2 4.13Å; Y320-Y332 AromaticContact CG-CE1 3.7Å; Y320-Y332 HydrophobicContact CG-CE1 3.7Å; Y320-Y332 HydrophobicContact CG-CE2 4.44Å; Y320-Y332 AromaticContact CG-CG 3.56Å; Y320-Y332 HydrophobicContact CG-CG 3.56Å
321A88.8Confident86.4Confident60 Ų6077.2 Ų77.250%0.49639%0.39SS..EExtended strand (participates in β ladder)trans-98.3107.9-178.300000109.8L296L296-A321 HydrophobicContact CD2-CB 3.32Å
322V86.1Confident86.4Confident52 Ų5270.4 Ų70.432%0.31536%0.364SS..EExtended strand (participates in β ladder)trans-133.1126.4179-175.70000108.4R324 R325 Y327 Y332V322-R324 VanDerWaalsContact C-N 3.29Å; V322-R324 PolarHBondContact O-N 3.39Å; V322-R325 PolarHBondContact N-O 3.21Å; V322-R325 WeakPolarHBondContact O-CA 3.38Å; V322-R325 WeakPolarHBondContact O-CB 3.21Å; V322-R325 PolarHBondContact O-N 2.66Å; V322-R325 VanDerWaalsContact O-O 3.11Å; V322-Y327 HydrophobicContact CB-CD2 4.06Å; V322-Y327 HydrophobicContact CB-CE2 3.85Å; V322-Y327 HydrophobicContact CG2-CD2 4.34Å; V322-Y332 HydrophobicContact CG2-CD2 3.93Å; V322-Y332 HydrophobicContact CG2-CE2 3.71Å
323E83.6Confident86.3Confident164 Ų16469.4 Ų69.477%0.76635%0.353SS*.THydrogen-bonded Turntrans5339.9177.4-62.5174.7168.600114.4R325E323-R325 PolarHBondContact O-N 3.05Å
324R82.3Confident86.2Confident185 Ų18566.7 Ų66.770%0.69835%0.353SS*.THydrogen-bonded Turntrans58.221.9-172.6-57.3-173174.4-78.60.6114.5D297 V322D297-R324 IonicContact OD2-NH1 3.78Å; D297-R324 PolarHBondContact OD2-NH1 2.87Å; V322-R324 VanDerWaalsContact C-N 3.29Å; V322-R324 PolarHBondContact O-N 3.39Å
325R85.6Confident86.1Confident120 Ų12071.3 Ų71.345%0.45338%0.381SS..EExtended strand (participates in β ladder)trans-116.7143.9174.8-61.417771.5171.25.1110.3S308 V322 E323 Y327S308-R325 PolarHBondContact OG-NE 3.28Å; S308-R325 PolarHBondContact OG-NH2 3.46Å; V322-R325 PolarHBondContact N-O 3.21Å; V322-R325 WeakPolarHBondContact O-CA 3.38Å; V322-R325 WeakPolarHBondContact O-CB 3.21Å; V322-R325 PolarHBondContact O-N 2.66Å; V322-R325 VanDerWaalsContact O-O 3.11Å; E323-R325 PolarHBondContact O-N 3.05Å; R325-Y327 HydrophobicContact CB-CE2 3.68Å
326A89Confident86.4Confident7 Ų765.9 Ų65.96%0.05836%0.363CS..EExtended strand (participates in β ladder)trans-93.7133.1177.900000111.1L296 F305 C307 S308 L314 F319L296-A326 HydrophobicContact CD1-CB 4.18Å; F305-A326 HydrophobicContact CE2-CB 3.91Å; F305-A326 HydrophobicContact CZ-CB 4.22Å; C307-A326 WeakPolarHBondContact CA-O 3.21Å; S308-A326 PolarHBondContact N-O 2.85Å; L314-A326 HydrophobicContact CD1-CB 3.47Å; L314-A326 VanDerWaalsContact CD1-CB 3.47Å; F319-A326 HydrophobicContact CD2-CB 4.4Å
327Y90.6Very high86.9Confident27 Ų2766.6 Ų66.611%0.10635%0.35CS..EExtended strand (participates in β ladder)trans-125.6139.5176.1-61.2-89000110.2T309 F319 Y320 V322 R325T309-Y327 WeakPolarHBondContact OG1-CE1 3.36Å; F319-Y327 CarbonylContact C-O 3.52Å; F319-Y327 VanDerWaalsContact CA-O 3.32Å; F319-Y327 WeakPolarHBondContact CA-O 3.44Å; Y320-Y327 PolarHBondContact N-O 3.05Å; Y320-Y327 PolarHBondContact O-N 2.99Å; V322-Y327 HydrophobicContact CB-CD2 4.06Å; V322-Y327 HydrophobicContact CB-CE2 3.85Å; V322-Y327 HydrophobicContact CG2-CD2 4.34Å; R325-Y327 HydrophobicContact CB-CE2 3.68Å
328C91.1Very high87.3Confident25 Ų2567.1 Ų67.117%0.16935%0.351CS..EExtended strand (participates in β ladder)trans-71157.916564.20000109.5C307 C310 L314 G330 C331 Y332C307-C328 HydrophobicContact CB-CB 4.35Å; C310-C328 VanDerWaalsContact SG-SG 3.66Å; L314-C328 HydrophobicContact CD2-CB 3.6Å; C328-G330 PolarHBondContact O-N 3.1Å; C328-C331 PolarHBondContact O-N 3.3Å; C328-C331 VanDerWaalsContact O-N 3.16Å; C328-C331 VanDerWaalsContact SG-SG 3.66Å; C328-Y332 WeakPolarHBondContact O-CB 3.23Å; C328-Y332 PolarHBondContact O-N 2.84Å
329E87.9Confident87.8Confident84 Ų8463.3 Ų63.339%0.39333%0.333SS..Hα-helixtrans-47.7-56.1176.4179.9-168.3-135.200112.2H318 Y320 C331 Y332 V333H318-E329 IonicContact CE1-OE2 2.68Å; H318-E329 PolarHBondContact CE1-OE2 3.21Å; H318-E329 VanDerWaalsContact CE1-OE2 3.25Å; H318-E329 IonicContact NE2-OE2 2.95Å; Y320-E329 HydrophobicContact CE2-CB 3.97Å; Y320-E329 HydrophobicContact CE2-CG 4.2Å; E329-C331 PolarHBondContact O-N 2.94Å; E329-C331 VanDerWaalsContact O-N 3.12Å; E329-Y332 PolarHBondContact O-N 3.21Å; E329-V333 HydrophobicContact CG-CG2 3.8Å; E329-V333 VanDerWaalsContact O-CB 3.29Å; E329-V333 WeakPolarHBondContact O-CB 3.22Å; E329-V333 VanDerWaalsContact O-CG2 3.27Å; E329-V333 WeakPolarHBondContact O-CG2 3.35Å; E329-V333 PolarHBondContact O-N 2.83Å
330G88.2Confident87.8Confident54 Ų5465.5 Ų65.556%0.55735%0.353SS*.Hα-helixtrans-55.6-34.5-177.600000114.5C328 A334C328-G330 PolarHBondContact O-N 3.1Å; G330-A334 VanDerWaalsContact O-CB 3.28Å; G330-A334 WeakPolarHBondContact O-CB 3.44Å; G330-A334 PolarHBondContact O-N 3.22Å
331C88.6Confident87.8Confident24 Ų2468.2 Ų68.216%0.16237%0.373CS..Hα-helixtrans-81.4-37.5174.7-71.20000113.1C328 E329 A334 T335C328-C331 PolarHBondContact O-N 3.3Å; C328-C331 VanDerWaalsContact O-N 3.16Å; C328-C331 VanDerWaalsContact SG-SG 3.66Å; E329-C331 PolarHBondContact O-N 2.94Å; E329-C331 VanDerWaalsContact O-N 3.12Å; C331-A334 PolarHBondContact O-N 3.43Å; C331-T335 PolarHBondContact O-N 2.84Å
332Y89.3Confident87.9Confident45 Ų4567.2 Ų67.218%0.17636%0.362CS..Hα-helixtrans-62.5-51.6174.8173.8-112.3000110.9Y320 V322 C328 E329 A334 T335 L336Y320-Y332 AromaticContact CD1-CD1 3.63Å; Y320-Y332 HydrophobicContact CD1-CD1 3.63Å; Y320-Y332 AromaticContact CD1-CE1 3.48Å; Y320-Y332 HydrophobicContact CD1-CE1 3.48Å; Y320-Y332 VanDerWaalsContact CD1-CE1 3.48Å; Y320-Y332 HydrophobicContact CD1-CG 4.23Å; Y320-Y332 AromaticContact CD1-CZ 3.98Å; Y320-Y332 AromaticContact CD2-CD1 3.42Å; Y320-Y332 HydrophobicContact CD2-CD1 3.42Å; Y320-Y332 VanDerWaalsContact CD2-CD1 3.42Å; Y320-Y332 HydrophobicContact CD2-CE1 4.17Å; Y320-Y332 AromaticContact CD2-CG 3.73Å; Y320-Y332 HydrophobicContact CD2-CG 3.73Å; Y320-Y332 AromaticContact CE1-CD1 3.99Å; Y320-Y332 HydrophobicContact CE1-CD1 3.99Å; Y320-Y332 AromaticContact CE1-CE1 3.77Å; Y320-Y332 HydrophobicContact CE1-CE1 3.77Å; Y320-Y332 AromaticContact CE2-CD1 3.8Å; Y320-Y332 HydrophobicContact CE2-CD1 3.8Å; Y320-Y332 HydrophobicContact CE2-CE1 4.4Å; Y320-Y332 AromaticContact CG-CD1 3.33Å; Y320-Y332 HydrophobicContact CG-CD1 3.33Å; Y320-Y332 HydrophobicContact CG-CD2 4.13Å; Y320-Y332 AromaticContact CG-CE1 3.7Å; Y320-Y332 HydrophobicContact CG-CE1 3.7Å; Y320-Y332 HydrophobicContact CG-CE2 4.44Å; Y320-Y332 AromaticContact CG-CG 3.56Å; Y320-Y332 HydrophobicContact CG-CG 3.56Å; V322-Y332 HydrophobicContact CG2-CD2 3.93Å; V322-Y332 HydrophobicContact CG2-CE2 3.71Å; C328-Y332 WeakPolarHBondContact O-CB 3.23Å; C328-Y332 PolarHBondContact O-N 2.84Å; E329-Y332 PolarHBondContact O-N 3.21Å; Y332-A334 PolarHBondContact O-N 3.44Å; Y332-T335 WeakPolarHBondContact O-CA 3.34Å; Y332-T335 PolarHBondContact O-N 3.29Å; Y332-T335 PolarHBondContact O-OG1 3.2Å; Y332-L336 HydrophobicContact CD1-CD1 4.4Å; Y332-L336 HydrophobicContact CE1-CD1 4.06Å; Y332-L336 HydrophobicContact CE1-CD2 4.32Å; Y332-L336 HydrophobicContact CE2-CD2 4.26Å; Y332-L336 PolarHBondContact O-N 2.73Å
333V87.6Confident88.1Confident28 Ų2869.1 Ų69.117%0.1738%0.378CS..Hα-helixtrans-61.6-30.2178.2175.20000112.1E329 T335 L336 P345 L347E329-V333 HydrophobicContact CG-CG2 3.8Å; E329-V333 VanDerWaalsContact O-CB 3.29Å; E329-V333 WeakPolarHBondContact O-CB 3.22Å; E329-V333 VanDerWaalsContact O-CG2 3.27Å; E329-V333 WeakPolarHBondContact O-CG2 3.35Å; E329-V333 PolarHBondContact O-N 2.83Å; V333-T335 VanDerWaalsContact C-N 3.31Å; V333-T335 PolarHBondContact O-N 2.87Å; V333-L336 HydrophobicContact CG2-CD1 4.45Å; V333-L336 PolarHBondContact O-N 2.91Å; V333-P345 HydrophobicContact CG1-CB 3.81Å; V333-P345 HydrophobicContact CG1-CG 3.32Å; V333-P345 WeakPolarHBondContact O-CB 3.42Å; V333-L347 HydrophobicContact CB-CD2 4.46Å; V333-L347 HydrophobicContact CG1-CD2 4.12Å; V333-L347 HydrophobicContact CG2-CD2 3.62Å
334A85.8Confident88.3Confident70 Ų7067 Ų6758%0.57937%0.368SS*.Hα-helixtrans-70.6-20.9171.600000114.4G330 C331 Y332G330-A334 VanDerWaalsContact O-CB 3.28Å; G330-A334 WeakPolarHBondContact O-CB 3.44Å; G330-A334 PolarHBondContact O-N 3.22Å; C331-A334 PolarHBondContact O-N 3.43Å; Y332-A334 PolarHBondContact O-N 3.44Å
335T84.8Confident88.6Confident100 Ų10060 Ų6061%0.61335%0.346SS*.Hα-helixtrans-88.5-9.3173.860.70000114.2C331 Y332 V333C331-T335 PolarHBondContact O-N 2.84Å; Y332-T335 WeakPolarHBondContact O-CA 3.34Å; Y332-T335 PolarHBondContact O-N 3.29Å; Y332-T335 PolarHBondContact O-OG1 3.2Å; V333-T335 VanDerWaalsContact C-N 3.31Å; V333-T335 PolarHBondContact O-N 2.87Å
336L86.7Confident88.8Confident36 Ų3654.5 Ų54.519%0.18833%0.326CS..SBendtrans-76.9153.1179.7-62.3176.6000112.5Y332 V333 P345 L347Y332-L336 HydrophobicContact CD1-CD1 4.4Å; Y332-L336 HydrophobicContact CE1-CD1 4.06Å; Y332-L336 HydrophobicContact CE1-CD2 4.32Å; Y332-L336 HydrophobicContact CE2-CD2 4.26Å; Y332-L336 PolarHBondContact O-N 2.73Å; V333-L336 HydrophobicContact CG2-CD1 4.45Å; V333-L336 PolarHBondContact O-N 2.91Å; L336-P345 HydrophobicContact CB-CB 4.27Å; L336-L347 HydrophobicContact CD1-CD2 3.73Å
337E88Confident88.5Confident74 Ų7458.5 Ų58.535%0.34635%0.346SS..PPolyproline II helixtrans-64138.7173.3-68.9-175-179.200111.1I346 R352 A357E337-I346 PolarHBondContact O-N 3.25Å; E337-R352 IonicContact OE1-CZ 2.77Å; E337-R352 IonicContact OE1-NH1 3.2Å; E337-R352 PolarHBondContact OE1-NH1 3.02Å; E337-R352 IonicContact OE1-NH2 3.35Å; E337-R352 PolarHBondContact OE1-NH2 3.08Å; E337-R352 IonicContact OE2-CZ 3.67Å; E337-R352 VanDerWaalsContact OE2-CZ 3.22Å; E337-R352 IonicContact OE2-NH1 3.43Å; E337-R352 PolarHBondContact OE2-NH1 2.85Å; E337-R352 IonicContact OE2-NH2 3.25Å; E337-R352 PolarHBondContact OE2-NH2 2.94Å; E337-A357 HydrophobicContact CB-CB 4.07Å; E337-A357 WeakPolarHBondContact OE2-CB 3.36Å
338K90.9Very high87.9Confident131 Ų13161.2 Ų61.257%0.5736%0.362SS*.BIsolated β-bridgetrans-96.7135.9-179.4-62.7-179.9-175.3-179.90110.5A340 Q344K338-A340 PolarHBondContact O-N 2.89Å; K338-Q344 WeakPolarHBondContact CA-O 3.5Å
339C91.9Very high87.6Confident1 Ų165.6 Ų65.61%0.00738%0.375CS..PPolyproline II helixtrans-64.1126.5176.5172.80000110.7T341 S343 Q344 I346 A357 H359C339-T341 PolarHBondContact O-N 2.77Å; C339-T341 PolarHBondContact SG-N 3.12Å; C339-S343 VanDerWaalsContact O-CA 3.23Å; C339-S343 WeakPolarHBondContact O-CA 3.1Å; C339-S343 PolarHBondContact O-N 3.14Å; C339-Q344 PolarHBondContact N-O 2.97Å; C339-I346 HydrophobicContact CB-CD1 4.09Å; C339-I346 HydrophobicContact CB-CG1 3.91Å; C339-A357 CarbonylContact C-O 3.59Å; C339-A357 WeakPolarHBondContact CA-O 3.32Å; C339-H359 VanDerWaalsContact CB-ND1 3.32Å; C339-H359 WeakPolarHBondContact CB-ND1 3.49Å
340A89.6Confident87.5Confident57 Ų5764.5 Ų64.547%0.47137%0.371SS..THydrogen-bonded Turntrans-67.8-15.1-177.900000114.3K338 K356 A357 Y358K338-A340 PolarHBondContact O-N 2.89Å; A340-K356 HydrophobicContact CB-CB 4.11Å; A340-K356 HydrophobicContact CB-CD 4.04Å; A340-K356 HydrophobicContact CB-CG 4.42Å; A340-A357 PolarHBondContact N-O 3.35Å; A340-Y358 HydrophobicContact CB-CD1 4.34Å; A340-Y358 HydrophobicContact CB-CE1 3.76Å
341T88.4Confident87.6Confident88 Ų8863.4 Ų63.454%0.5435%0.352SS..THydrogen-bonded Turntrans-87.5-49.4176.5-440000112.6C339 Y358 C362C339-T341 PolarHBondContact O-N 2.77Å; C339-T341 PolarHBondContact SG-N 3.12Å; T341-Y358 WeakPolarHBondContact OG1-CD1 3.38Å; T341-C362 HydrophobicContact CG2-CB 4.44Å; T341-C362 PolarHBondContact OG1-O 3.47Å
342C90.2Very high87.6Confident39 Ų3970.2 Ų70.226%0.26438%0.375SS..THydrogen-bonded Turntrans-108.2-0.2-173.965.60000115Q344 H359C342-Q344 PolarHBondContact O-N 3.49Å; C342-H359 VanDerWaalsContact SG-CE1 3.52Å; C342-H359 PolarHBondContact SG-ND1 3.38Å; C342-H359 VanDerWaalsContact SG-ND1 3.36Å
343S89.4Confident87.4Confident92 Ų9268.5 Ų68.564%0.64337%0.37SS*.  trans61.4-4.7-176.176.30000117.1C339C339-S343 VanDerWaalsContact O-CA 3.23Å; C339-S343 WeakPolarHBondContact O-CA 3.1Å; C339-S343 PolarHBondContact O-N 3.14Å
344Q88.4Confident87.2Confident120 Ų12071.3 Ų71.356%0.56138%0.382SS*.  trans-75.2146.1179.2-68.5170.2-28.800111.7K338 C339 C342K338-Q344 WeakPolarHBondContact CA-O 3.5Å; C339-Q344 PolarHBondContact N-O 2.97Å; C342-Q344 PolarHBondContact O-N 3.49Å
345P89.5Confident87Confident38 Ų3872 Ų7225%0.24740%0.396CS..BIsolated β-bridgetrans-66.5138175.428.7-33.5000110.9V333 L336 L347V333-P345 HydrophobicContact CG1-CB 3.81Å; V333-P345 HydrophobicContact CG1-CG 3.32Å; V333-P345 WeakPolarHBondContact O-CB 3.42Å; L336-P345 HydrophobicContact CB-CB 4.27Å; P345-L347 PolarHBondContact O-N 2.93Å
346I88.1Confident87.2Confident4 Ų472.2 Ų72.22%0.02139%0.388CS..  trans-87.7108.5-176-55.6166.5000109.3E337 C339 D348 I350 A357E337-I346 PolarHBondContact O-N 3.25Å; C339-I346 HydrophobicContact CB-CD1 4.09Å; C339-I346 HydrophobicContact CB-CG1 3.91Å; I346-D348 WeakPolarHBondContact CG2-O 3.46Å; I346-I350 HydrophobicContact CB-CG1 4.04Å; I346-I350 HydrophobicContact CD1-CG1 4.27Å; I346-I350 HydrophobicContact CD1-CG2 4.09Å; I346-I350 HydrophobicContact CG2-CB 4.43Å; I346-I350 HydrophobicContact CG2-CG1 3.64Å; I346-A357 HydrophobicContact CD1-CB 3.7Å
347L83.5Confident87.4Confident91 Ų9170.9 Ų70.948%0.47638%0.383SS..  trans-84.9-17177.9-57.5176.6000113.8P152 V333 L336 P345P152-L347 WeakPolarHBondContact CD-O 3.44Å; P152-L347 WeakPolarHBondContact CG-O 3.37Å; V333-L347 HydrophobicContact CB-CD2 4.46Å; V333-L347 HydrophobicContact CG1-CD2 4.12Å; V333-L347 HydrophobicContact CG2-CD2 3.62Å; L336-L347 HydrophobicContact CD1-CD2 3.73Å; P345-L347 PolarHBondContact O-N 2.93Å
348D77.9Confident87.6Confident84 Ų8468 Ų6845%0.44937%0.369SS..SBendtrans-115.7-167.4-170.7-179.231.2000110.5I346 I350I346-D348 WeakPolarHBondContact CG2-O 3.46Å; D348-I350 PolarHBondContact O-N 3.24Å
349R84.2Confident87.6Confident117 Ų11763.4 Ų63.444%0.44235%0.349SS..  trans-48.8109.8172.9-179.4174.758.9121.9-0.1112.6P360 D373R349-P360 WeakPolarHBondContact O-CD 3.15Å; R349-D373 IonicContact CZ-OD1 2.76Å; R349-D373 IonicContact CZ-OD2 2.65Å; R349-D373 VanDerWaalsContact CZ-OD2 3.26Å; R349-D373 IonicContact NH1-OD1 3.69Å; R349-D373 PolarHBondContact NH1-OD1 3.04Å; R349-D373 IonicContact NH1-OD2 2.89Å; R349-D373 PolarHBondContact NH1-OD2 3.44Å; R349-D373 IonicContact NH2-OD1 2.77Å; R349-D373 IonicContact NH2-OD2 3.76Å; R349-D373 PolarHBondContact NH2-OD2 3.39Å
350I87.3Confident87.5Confident62 Ų6264.6 Ų64.632%0.31836%0.357SS..  trans-73.4124.6173.5-57.4168.4000110I346 D348 R352 A357I346-I350 HydrophobicContact CB-CG1 4.04Å; I346-I350 HydrophobicContact CD1-CG1 4.27Å; I346-I350 HydrophobicContact CD1-CG2 4.09Å; I346-I350 HydrophobicContact CG2-CB 4.43Å; I346-I350 HydrophobicContact CG2-CG1 3.64Å; D348-I350 PolarHBondContact O-N 3.24Å; I350-R352 HydrophobicContact CG2-CG 3.99Å; I350-A357 HydrophobicContact CG2-CB 3.89Å
351L88.7Confident87.4Confident30 Ų3065 Ų6516%0.15737%0.367CS..EExtended strand (participates in β ladder)trans-89.4130160.6-63.2-171.7000109.7A357 Y358 P360 F363 D373L351-A357 CarbonylContact O-C 3.55Å; L351-A357 WeakPolarHBondContact O-CA 3.5Å; L351-Y358 PolarHBondContact N-O 3.12Å; L351-Y358 PolarHBondContact O-N 3Å; L351-P360 HydrophobicContact CD1-CB 4.3Å; L351-P360 HydrophobicContact CG-CG 4.29Å; L351-F363 HydrophobicContact CD1-CB 3.94Å; L351-F363 HydrophobicContact CD1-CD1 4.05Å; L351-F363 HydrophobicContact CD1-CG 4.19Å; L351-D373 HydrophobicContact CD1-CB 4.09Å
352R89.5Confident87.4Confident167 Ų16762.3 Ų62.363%0.6335%0.352SS*.EExtended strand (participates in β ladder)trans-109119.5176-65.3-175.7-177.6-902.2110.1E337 I350 K356E337-R352 IonicContact OE1-CZ 2.77Å; E337-R352 IonicContact OE1-NH1 3.2Å; E337-R352 PolarHBondContact OE1-NH1 3.02Å; E337-R352 IonicContact OE1-NH2 3.35Å; E337-R352 PolarHBondContact OE1-NH2 3.08Å; E337-R352 IonicContact OE2-CZ 3.67Å; E337-R352 VanDerWaalsContact OE2-CZ 3.22Å; E337-R352 IonicContact OE2-NH1 3.43Å; E337-R352 PolarHBondContact OE2-NH1 2.85Å; E337-R352 IonicContact OE2-NH2 3.25Å; E337-R352 PolarHBondContact OE2-NH2 2.94Å; I350-R352 HydrophobicContact CG2-CG 3.99Å; R352-K356 WeakPolarHBondContact CA-O 3.49Å
353A83.9Confident87.5Confident9 Ų960.8 Ų60.87%0.07434%0.34CS..EExtended strand (participates in β ladder)trans-142.4139.7176.900000110.1G355 K356 Y358 F363 F377A353-G355 PolarHBondContact O-N 3.03Å; A353-G355 VanDerWaalsContact O-N 3.12Å; A353-K356 PolarHBondContact N-O 3.06Å; A353-K356 PolarHBondContact O-N 3.39Å; A353-K356 VanDerWaalsContact O-O 3.1Å; A353-Y358 HydrophobicContact CB-CD2 4.28Å; A353-Y358 HydrophobicContact CB-CE2 4.05Å; A353-F363 HydrophobicContact CB-CD2 4.41Å; A353-F363 HydrophobicContact CB-CE2 3.53Å; A353-F363 HydrophobicContact CB-CZ 3.87Å; A353-F377 HydrophobicContact CB-CE2 4.44Å; A353-F377 HydrophobicContact CB-CZ 3.95Å
354M83.6Confident87.7Confident87 Ų8758.3 Ų58.343%0.42932%0.321SS..THydrogen-bonded Turntrans5329.3-177-49.617464.700114.7K356 V379M354-K356 PolarHBondContact O-N 2.97Å; M354-V379 HydrophobicContact CE-CG1 3.6Å; M354-V379 HydrophobicContact CG-CG2 4.19Å; M354-V379 HydrophobicContact SD-CB 4.36Å; M354-V379 HydrophobicContact SD-CG1 3.61Å; M354-V379 HydrophobicContact SD-CG2 3.79Å
355G82.9Confident87.9Confident84 Ų8452.6 Ų52.687%0.86629%0.294SS*.THydrogen-bonded Turntrans71.47.3-173.400000115.2A353A353-G355 PolarHBondContact O-N 3.03Å; A353-G355 VanDerWaalsContact O-N 3.12Å
356K88.9Confident88Confident105 Ų10553.8 Ų53.846%0.45730%0.301SS..EExtended strand (participates in β ladder)trans-109.9154.6176.7-66.9175.7179.7177.20111.1A340 R352 A353 M354 Y358A340-K356 HydrophobicContact CB-CB 4.11Å; A340-K356 HydrophobicContact CB-CD 4.04Å; A340-K356 HydrophobicContact CB-CG 4.42Å; R352-K356 WeakPolarHBondContact CA-O 3.49Å; A353-K356 PolarHBondContact N-O 3.06Å; A353-K356 PolarHBondContact O-N 3.39Å; A353-K356 VanDerWaalsContact O-O 3.1Å; M354-K356 PolarHBondContact O-N 2.97Å; K356-Y358 HydrophobicContact CB-CE2 3.67Å; K356-Y358 WeakPolarHBondContact CD-OH 3.16Å
357A91.1Very high88Confident9 Ų956.5 Ų56.57%0.07432%0.318CS..EExtended strand (participates in β ladder)trans-99.1142.9178.500000111.6E337 C339 A340 I346 I350 L351E337-A357 HydrophobicContact CB-CB 4.07Å; E337-A357 WeakPolarHBondContact OE2-CB 3.36Å; C339-A357 CarbonylContact C-O 3.59Å; C339-A357 WeakPolarHBondContact CA-O 3.32Å; A340-A357 PolarHBondContact N-O 3.35Å; I346-A357 HydrophobicContact CD1-CB 3.7Å; I350-A357 HydrophobicContact CG2-CB 3.89Å; L351-A357 CarbonylContact O-C 3.55Å; L351-A357 WeakPolarHBondContact O-CA 3.5Å
358Y91.3Very high88.4Confident12 Ų1255.1 Ų55.15%0.04732%0.315CS..EExtended strand (participates in β ladder)trans-143147.6-179-57-87.6000112A340 T341 L351 A353 K356 F363 I385A340-Y358 HydrophobicContact CB-CD1 4.34Å; A340-Y358 HydrophobicContact CB-CE1 3.76Å; T341-Y358 WeakPolarHBondContact OG1-CD1 3.38Å; L351-Y358 PolarHBondContact N-O 3.12Å; L351-Y358 PolarHBondContact O-N 3Å; A353-Y358 HydrophobicContact CB-CD2 4.28Å; A353-Y358 HydrophobicContact CB-CE2 4.05Å; K356-Y358 HydrophobicContact CB-CE2 3.67Å; K356-Y358 WeakPolarHBondContact CD-OH 3.16Å; Y358-F363 HydrophobicContact CD1-CD2 4.42Å; Y358-F363 AromaticContact CD2-CD2 3.85Å; Y358-F363 HydrophobicContact CD2-CD2 3.85Å; Y358-F363 HydrophobicContact CD2-CE2 4.33Å; Y358-F363 HydrophobicContact CE2-CD2 4.29Å; Y358-F363 HydrophobicContact CE2-CE2 4.42Å; Y358-F363 AromaticContact CG-CD2 3.92Å; Y358-F363 HydrophobicContact CG-CD2 3.92Å; Y358-I385 HydrophobicContact CE1-CD1 4.34Å
359H91.3Very high88.9Confident35 Ų3557.4 Ų57.416%0.16232%0.323CS..  trans-69.3149.3161.6-60.7110.6000110.2C339 C342 G361 C362 F363C339-H359 VanDerWaalsContact CB-ND1 3.32Å; C339-H359 WeakPolarHBondContact CB-ND1 3.49Å; C342-H359 VanDerWaalsContact SG-CE1 3.52Å; C342-H359 PolarHBondContact SG-ND1 3.38Å; C342-H359 VanDerWaalsContact SG-ND1 3.36Å; H359-G361 VanDerWaalsContact C-N 3.27Å; H359-G361 PolarHBondContact O-N 2.96Å; H359-C362 HydrophobicContact CB-CB 3.94Å; H359-C362 PolarHBondContact O-N 3.39Å; H359-F363 PolarHBondContact O-N 2.88Å; H359-F363 VanDerWaalsContact O-N 3.08Å
360P88.7Confident89.2Confident26 Ų2659.5 Ų59.517%0.16933%0.33CS..G310 helixtrans-54.5-40174.8-26.535.1000113.6R349 L351R349-P360 WeakPolarHBondContact O-CD 3.15Å; L351-P360 HydrophobicContact CD1-CB 4.3Å; L351-P360 HydrophobicContact CG-CG 4.29Å
361G87.9Confident89.4Confident66 Ų6658.1 Ų58.168%0.6833%0.332SS*.G310 helixtrans-77.1-13.2175.400000115.5H359 T364H359-G361 VanDerWaalsContact C-N 3.27Å; H359-G361 PolarHBondContact O-N 2.96Å; G361-T364 WeakPolarHBondContact O-CG2 3.49Å
362C89.9Confident89.4Confident32 Ų3256.9 Ų56.922%0.21633%0.325CS..G310 helixtrans-98.4-9.8176.7-65.80000113.3T341 H359 T364T341-C362 HydrophobicContact CG2-CB 4.44Å; T341-C362 PolarHBondContact OG1-O 3.47Å; H359-C362 HydrophobicContact CB-CB 3.94Å; H359-C362 PolarHBondContact O-N 3.39Å; C362-T364 PolarHBondContact O-N 3.13Å
363F92.1Very high89.4Confident7 Ų752 Ų523%0.03131%0.312CS..  trans-9176.4177.2-169.9-108.8000109.7L351 A353 Y358 H359 G371 L372 F377 I385L351-F363 HydrophobicContact CD1-CB 3.94Å; L351-F363 HydrophobicContact CD1-CD1 4.05Å; L351-F363 HydrophobicContact CD1-CG 4.19Å; A353-F363 HydrophobicContact CB-CD2 4.41Å; A353-F363 HydrophobicContact CB-CE2 3.53Å; A353-F363 HydrophobicContact CB-CZ 3.87Å; Y358-F363 HydrophobicContact CD1-CD2 4.42Å; Y358-F363 AromaticContact CD2-CD2 3.85Å; Y358-F363 HydrophobicContact CD2-CD2 3.85Å; Y358-F363 HydrophobicContact CD2-CE2 4.33Å; Y358-F363 HydrophobicContact CE2-CD2 4.29Å; Y358-F363 HydrophobicContact CE2-CE2 4.42Å; Y358-F363 AromaticContact CG-CD2 3.92Å; Y358-F363 HydrophobicContact CG-CD2 3.92Å; H359-F363 PolarHBondContact O-N 2.88Å; H359-F363 VanDerWaalsContact O-N 3.08Å; F363-G371 WeakPolarHBondContact O-CA 3.33Å; F363-L372 HydrophobicContact CD1-CB 3.73Å; F363-L372 HydrophobicContact CE1-CB 3.62Å; F363-L372 PolarHBondContact O-N 2.99Å; F363-F377 AromaticContact CE1-CD1 3.74Å; F363-F377 HydrophobicContact CE1-CD1 3.74Å; F363-F377 AromaticContact CE1-CE1 3.89Å; F363-F377 HydrophobicContact CE1-CE1 3.89Å; F363-F377 HydrophobicContact CE1-CG 4.16Å; F363-F377 HydrophobicContact CE1-CZ 4.43Å; F363-F377 AromaticContact CZ-CD1 3.69Å; F363-F377 HydrophobicContact CZ-CD1 3.69Å; F363-F377 AromaticContact CZ-CD2 3.91Å; F363-F377 HydrophobicContact CZ-CD2 3.91Å; F363-F377 AromaticContact CZ-CE1 3.6Å; F363-F377 HydrophobicContact CZ-CE1 3.6Å; F363-F377 AromaticContact CZ-CE2 3.83Å; F363-F377 HydrophobicContact CZ-CE2 3.83Å; F363-F377 AromaticContact CZ-CG 3.86Å; F363-F377 HydrophobicContact CZ-CG 3.86Å; F363-F377 AromaticContact CZ-CZ 3.68Å; F363-F377 HydrophobicContact CZ-CZ 3.68Å; F363-I385 HydrophobicContact CD2-CD1 3.93Å; F363-I385 HydrophobicContact CE2-CD1 3.63Å; F363-I385 HydrophobicContact CE2-CG1 4.32Å; F363-I385 HydrophobicContact CE2-CG2 4.15Å; F363-I385 HydrophobicContact CZ-CG2 4.12Å
364T93.3Very high89.4Confident39 Ų3955.5 Ų55.524%0.23935%0.349CS..BIsolated β-bridgetrans-119.3157.1-172.656.10000112.1G361 C362 H369 R370G361-T364 WeakPolarHBondContact O-CG2 3.49Å; C362-T364 PolarHBondContact O-N 3.13Å; T364-H369 WeakPolarHBondContact CB-O 3.47Å; T364-H369 WeakPolarHBondContact CG2-O 3.35Å; T364-R370 VanDerWaalsContact CA-O 3.29Å; T364-R370 WeakPolarHBondContact CA-O 3.33Å
365C92.3Very high89.5Confident0 Ų054.6 Ų54.60%035%0.345CS..  trans-68.1134.9169.6179.80000110.9V367 C368 H369 R370 L372 I385 C387 D390C365-V367 PolarHBondContact O-N 3.31Å; C365-V367 VanDerWaalsContact O-N 3.14Å; C365-V367 PolarHBondContact SG-N 3.07Å; C365-V367 VanDerWaalsContact SG-N 3.38Å; C365-C368 VanDerWaalsContact CB-SG 3.6Å; C365-H369 WeakPolarHBondContact O-CA 3.39Å; C365-H369 PolarHBondContact O-N 3.37Å; C365-H369 PolarHBondContact O-ND1 3Å; C365-H369 VanDerWaalsContact O-ND1 3.12Å; C365-R370 PolarHBondContact N-O 2.95Å; C365-L372 HydrophobicContact CB-CD1 4.09Å; C365-I385 WeakPolarHBondContact CA-O 3.47Å; C365-C387 HydrophobicContact CB-CB 4.29Å; C365-C387 PolarHBondContact SG-N 2.82Å; C365-C387 VanDerWaalsContact SG-N 3.39Å; C365-D390 PolarHBondContact SG-OD2 3.34Å; C365-D390 VanDerWaalsContact SG-OD2 3.41Å
366V90.6Very high89.6Confident63 Ų6355 Ų5538%0.38233%0.332SS..THydrogen-bonded Turntrans-70.8-4.3177.4-54.80000114.5Q384 I385 H386V366-Q384 HydrophobicContact CG1-CB 4.4Å; V366-Q384 HydrophobicContact CG2-CB 4.21Å; V366-I385 PolarHBondContact N-O 3.05Å; V366-H386 WeakPolarHBondContact CG2-CE1 3.46Å; V366-H386 WeakPolarHBondContact CG2-NE2 3.38Å
367V89.6Confident89.7Confident61 Ų6153.6 Ų53.637%0.3733%0.326SS..THydrogen-bonded Turntrans-107.5-60.8-179.7179.20000111.4C365 D390C365-V367 PolarHBondContact O-N 3.31Å; C365-V367 VanDerWaalsContact O-N 3.14Å; C365-V367 PolarHBondContact SG-N 3.07Å; C365-V367 VanDerWaalsContact SG-N 3.38Å; V367-D390 HydrophobicContact CB-CB 4.04Å; V367-D390 WeakPolarHBondContact CB-OD2 3.27Å; V367-D390 HydrophobicContact CG1-CB 4.17Å; V367-D390 HydrophobicContact CG2-CB 4.38Å
368C90.8Very high89.5Confident62 Ų6255 Ų5542%0.41933%0.333SS..THydrogen-bonded Turntrans-93-3.9179.763.80000115.4C365 R370 D390C365-C368 VanDerWaalsContact CB-SG 3.6Å; C368-R370 PolarHBondContact O-N 3.28Å; C368-D390 VanDerWaalsContact CB-OD2 3.25Å; C368-D390 WeakPolarHBondContact CB-OD2 3.14Å; C368-D390 PolarHBondContact N-OD2 3.14Å; C368-D390 PolarHBondContact SG-OD2 2.93Å
369H90Very high89.5Confident133 Ų13356.6 Ų56.662%0.61634%0.344SS*.  trans55.66.5-178.6-56.6-37.3000117T364 C365 G371T364-H369 WeakPolarHBondContact CB-O 3.47Å; T364-H369 WeakPolarHBondContact CG2-O 3.35Å; C365-H369 WeakPolarHBondContact O-CA 3.39Å; C365-H369 PolarHBondContact O-N 3.37Å; C365-H369 PolarHBondContact O-ND1 3Å; C365-H369 VanDerWaalsContact O-ND1 3.12Å; H369-G371 PolarHBondContact O-N 3.41Å
370R90Very high89.2Confident160 Ų16056 Ų5660%0.60434%0.342SS*.  trans-59.6134.4168.3174175-80174.9-5110.1T364 C365 C368 I375T364-R370 VanDerWaalsContact CA-O 3.29Å; T364-R370 WeakPolarHBondContact CA-O 3.33Å; C365-R370 PolarHBondContact N-O 2.95Å; C368-R370 PolarHBondContact O-N 3.28Å; R370-I375 HydrophobicContact CG-CD1 4.45Å
371G90.8Very high89.1Confident33 Ų3360.4 Ų60.434%0.3438%0.381SS..BIsolated β-bridgetrans-66.1138170.400000111.5F363 H369F363-G371 WeakPolarHBondContact O-CA 3.33Å; H369-G371 PolarHBondContact O-N 3.41Å
372L89.8Confident89Confident4 Ų461.6 Ų61.62%0.02138%0.375CS..  trans-108.621-171.6-60.8170000112.8F363 C365 G374 I375 F377 I385 C387F363-L372 HydrophobicContact CD1-CB 3.73Å; F363-L372 HydrophobicContact CE1-CB 3.62Å; F363-L372 PolarHBondContact O-N 2.99Å; C365-L372 HydrophobicContact CB-CD1 4.09Å; L372-G374 PolarHBondContact O-N 2.68Å; L372-I375 HydrophobicContact CD2-CB 4.24Å; L372-I375 HydrophobicContact CD2-CG2 4.04Å; L372-I375 PolarHBondContact O-N 3.29Å; L372-F377 HydrophobicContact CB-CB 4.44Å; L372-F377 HydrophobicContact CD1-CB 3.93Å; L372-I385 HydrophobicContact CD1-CG2 3.64Å; L372-C387 HydrophobicContact CD2-CB 3.7Å
373D88.2Confident88.8Confident66 Ų6663.4 Ų63.435%0.35339%0.388SS..THydrogen-bonded Turntrans-62119.3171.6-178.436.3000110.8R349 L351 I375R349-D373 IonicContact CZ-OD1 2.76Å; R349-D373 IonicContact CZ-OD2 2.65Å; R349-D373 VanDerWaalsContact CZ-OD2 3.26Å; R349-D373 IonicContact NH1-OD1 3.69Å; R349-D373 PolarHBondContact NH1-OD1 3.04Å; R349-D373 IonicContact NH1-OD2 2.89Å; R349-D373 PolarHBondContact NH1-OD2 3.44Å; R349-D373 IonicContact NH2-OD1 2.77Å; R349-D373 IonicContact NH2-OD2 3.76Å; R349-D373 PolarHBondContact NH2-OD2 3.39Å; L351-D373 HydrophobicContact CD1-CB 4.09Å; D373-I375 PolarHBondContact O-N 3.19Å; D373-I375 VanDerWaalsContact O-N 3.14Å
374G83.8Confident88.6Confident82 Ų8267.5 Ų67.585%0.84541%0.407SS*.THydrogen-bonded Turntrans68.20.4-174.900000115.7L372L372-G374 PolarHBondContact O-N 2.68Å
375I86.7Confident88.4Confident68 Ų6866.4 Ų66.435%0.34940%0.4SS..SBendtrans-100.1132.1179.3-57.4-176.5000108.9R370 L372 D373 F377R370-I375 HydrophobicContact CG-CD1 4.45Å; L372-I375 HydrophobicContact CD2-CB 4.24Å; L372-I375 HydrophobicContact CD2-CG2 4.04Å; L372-I375 PolarHBondContact O-N 3.29Å; D373-I375 PolarHBondContact O-N 3.19Å; D373-I375 VanDerWaalsContact O-N 3.14Å; I375-F377 PolarHBondContact O-N 3.28Å
376P84.8Confident88.3Confident91 Ų9166.5 Ų66.559%0.59140%0.4SS*.  trans-64.3129.9176.729.2-36.1000110.5I388P376-I388 HydrophobicContact CB-CD1 3.74Å; P376-I388 HydrophobicContact CG-CD1 4.17Å
377F89.9Confident88.3Confident77 Ų7764 Ų6434%0.33839%0.386SS..EExtended strand (participates in β ladder)trans-127.8166.8-173.769.1-89.8000110.7A353 F363 L372 I375 V379 I385A353-F377 HydrophobicContact CB-CE2 4.44Å; A353-F377 HydrophobicContact CB-CZ 3.95Å; F363-F377 AromaticContact CE1-CD1 3.74Å; F363-F377 HydrophobicContact CE1-CD1 3.74Å; F363-F377 AromaticContact CE1-CE1 3.89Å; F363-F377 HydrophobicContact CE1-CE1 3.89Å; F363-F377 HydrophobicContact CE1-CG 4.16Å; F363-F377 HydrophobicContact CE1-CZ 4.43Å; F363-F377 AromaticContact CZ-CD1 3.69Å; F363-F377 HydrophobicContact CZ-CD1 3.69Å; F363-F377 AromaticContact CZ-CD2 3.91Å; F363-F377 HydrophobicContact CZ-CD2 3.91Å; F363-F377 AromaticContact CZ-CE1 3.6Å; F363-F377 HydrophobicContact CZ-CE1 3.6Å; F363-F377 AromaticContact CZ-CE2 3.83Å; F363-F377 HydrophobicContact CZ-CE2 3.83Å; F363-F377 AromaticContact CZ-CG 3.86Å; F363-F377 HydrophobicContact CZ-CG 3.86Å; F363-F377 AromaticContact CZ-CZ 3.68Å; F363-F377 HydrophobicContact CZ-CZ 3.68Å; L372-F377 HydrophobicContact CB-CB 4.44Å; L372-F377 HydrophobicContact CD1-CB 3.93Å; I375-F377 PolarHBondContact O-N 3.28Å; F377-V379 HydrophobicContact CD2-CG2 4.21Å; F377-V379 HydrophobicContact CE2-CG2 4.1Å; F377-I385 HydrophobicContact CD2-CG2 4.25Å
378T88.6Confident88.2Confident37 Ų3764 Ų6423%0.22738%0.383CS..EExtended strand (participates in β ladder)trans-138.1170.3176.6-175.90000110H386 I388 F391T378-H386 HydrophobicContact CG2-CB 4.23Å; T378-H386 PolarHBondContact N-O 3.07Å; T378-H386 PolarHBondContact O-N 3.17Å; T378-H386 VanDerWaalsContact O-O 3.11Å; T378-I388 HydrophobicContact CG2-CG1 4.34Å; T378-F391 HydrophobicContact CG2-CB 3.34Å; T378-F391 HydrophobicContact CG2-CD1 3.57Å; T378-F391 HydrophobicContact CG2-CD2 3.74Å; T378-F391 HydrophobicContact CG2-CE1 4.28Å; T378-F391 HydrophobicContact CG2-CE2 4.42Å; T378-F391 HydrophobicContact CG2-CG 3.26Å
379V89.6Confident88Confident46 Ų4665.9 Ų65.928%0.27939%0.385SS..EExtended strand (participates in β ladder)trans-137.9127.2-170.4-177.40000110M354 F377 Q384M354-V379 HydrophobicContact CE-CG1 3.6Å; M354-V379 HydrophobicContact CG-CG2 4.19Å; M354-V379 HydrophobicContact SD-CB 4.36Å; M354-V379 HydrophobicContact SD-CG1 3.61Å; M354-V379 HydrophobicContact SD-CG2 3.79Å; F377-V379 HydrophobicContact CD2-CG2 4.21Å; F377-V379 HydrophobicContact CE2-CG2 4.1Å; V379-Q384 WeakPolarHBondContact CA-O 3.44Å
380D86.6Confident87.9Confident23 Ų2360.1 Ų60.112%0.12336%0.359CS..  trans-73.4163.4178.5-78.232.2000111.5T382 S383 Q384 H386 F391 F395D380-T382 WeakPolarHBondContact CB-OG1 3.44Å; D380-T382 PolarHBondContact O-N 2.77Å; D380-S383 WeakPolarHBondContact O-CA 3.25Å; D380-S383 PolarHBondContact O-N 2.92Å; D380-Q384 PolarHBondContact N-O 2.65Å; D380-H386 VanDerWaalsContact CG-CD2 3.4Å; D380-H386 IonicContact OD1-CD2 2.89Å; D380-H386 PolarHBondContact OD1-CD2 2.84Å; D380-H386 IonicContact OD1-CG 3.22Å; D380-H386 IonicContact OD1-NE2 2.73Å; D380-H386 IonicContact OD2-CD2 3.71Å; D380-H386 IonicContact OD2-NE2 3.64Å; D380-F391 WeakPolarHBondContact OD1-CD2 3.13Å; D380-F391 VanDerWaalsContact OD1-CE2 3.27Å; D380-F391 WeakPolarHBondContact OD1-CE2 3.07Å; D380-F395 WeakPolarHBondContact OD2-CE2 3.39Å; D380-F395 WeakPolarHBondContact OD2-CZ 3.49Å
381A85.6Confident87.9Confident118 Ų11854.7 Ų54.798%0.97534%0.34SS*.THydrogen-bonded Turntrans-56.4-20.3172.900000113.5S383A381-S383 VanDerWaalsContact C-N 3.25Å; A381-S383 PolarHBondContact O-N 2.91Å
382T87.1Confident87.6Confident91 Ų9155.3 Ų55.356%0.55833%0.334SS*.THydrogen-bonded Turntrans-79.52.9173.154.70000114.1D380 Q384D380-T382 WeakPolarHBondContact CB-OG1 3.44Å; D380-T382 PolarHBondContact O-N 2.77Å; T382-Q384 PolarHBondContact O-N 3.47Å; T382-Q384 WeakPolarHBondContact OG1-CG 3.29Å; T382-Q384 PolarHBondContact OG1-OE1 2.92Å
383S84.9Confident87.3Confident70 Ų7061.6 Ų61.649%0.4936%0.358SS..  trans6024.9-170.8-61.80000114.6D380 A381D380-S383 WeakPolarHBondContact O-CA 3.25Å; D380-S383 PolarHBondContact O-N 2.92Å; A381-S383 VanDerWaalsContact C-N 3.25Å; A381-S383 PolarHBondContact O-N 2.91Å
384Q88Confident86.9Confident94 Ų9464 Ų6444%0.43937%0.365SS..  trans-88143.6173.7-68.2177.8-58.100110.8V366 V379 D380 T382 H386V366-Q384 HydrophobicContact CG1-CB 4.4Å; V366-Q384 HydrophobicContact CG2-CB 4.21Å; V379-Q384 WeakPolarHBondContact CA-O 3.44Å; D380-Q384 PolarHBondContact N-O 2.65Å; T382-Q384 PolarHBondContact O-N 3.47Å; T382-Q384 WeakPolarHBondContact OG1-CG 3.29Å; T382-Q384 PolarHBondContact OG1-OE1 2.92Å; Q384-H386 PolarHBondContact O-CD2 3.35Å
385I89.3Confident86.9Confident16 Ų1665.7 Ų65.78%0.08235%0.349CS..EExtended strand (participates in β ladder)trans-93.6125.1-174.9-59.6156.7000109.8Y358 F363 C365 V366 L372 F377Y358-I385 HydrophobicContact CE1-CD1 4.34Å; F363-I385 HydrophobicContact CD2-CD1 3.93Å; F363-I385 HydrophobicContact CE2-CD1 3.63Å; F363-I385 HydrophobicContact CE2-CG1 4.32Å; F363-I385 HydrophobicContact CE2-CG2 4.15Å; F363-I385 HydrophobicContact CZ-CG2 4.12Å; C365-I385 WeakPolarHBondContact CA-O 3.47Å; V366-I385 PolarHBondContact N-O 3.05Å; L372-I385 HydrophobicContact CD1-CG2 3.64Å; F377-I385 HydrophobicContact CD2-CG2 4.25Å
386H90Very high86.8Confident1 Ų163.3 Ų63.31%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-123.1143.6179.9-67.6-89.5000111.2V366 T378 D380 Q384 F391V366-H386 WeakPolarHBondContact CG2-CE1 3.46Å; V366-H386 WeakPolarHBondContact CG2-NE2 3.38Å; T378-H386 HydrophobicContact CG2-CB 4.23Å; T378-H386 PolarHBondContact N-O 3.07Å; T378-H386 PolarHBondContact O-N 3.17Å; T378-H386 VanDerWaalsContact O-O 3.11Å; D380-H386 VanDerWaalsContact CG-CD2 3.4Å; D380-H386 IonicContact OD1-CD2 2.89Å; D380-H386 PolarHBondContact OD1-CD2 2.84Å; D380-H386 IonicContact OD1-CG 3.22Å; D380-H386 IonicContact OD1-NE2 2.73Å; D380-H386 IonicContact OD2-CD2 3.71Å; D380-H386 IonicContact OD2-NE2 3.64Å; Q384-H386 PolarHBondContact O-CD2 3.35Å; H386-F391 HydrophobicContact CB-CB 3.97Å; H386-F391 HydrophobicContact CB-CD2 4.47Å
387C91.2Very high86.8Confident12 Ų1261 Ų618%0.08133%0.325CS..EExtended strand (participates in β ladder)trans-69150.9160.975.30000108.4C365 L372 E389 D390 F391C365-C387 HydrophobicContact CB-CB 4.29Å; C365-C387 PolarHBondContact SG-N 2.82Å; C365-C387 VanDerWaalsContact SG-N 3.39Å; L372-C387 HydrophobicContact CD2-CB 3.7Å; C387-E389 PolarHBondContact O-N 3.5Å; C387-D390 PolarHBondContact O-N 3.31Å; C387-D390 VanDerWaalsContact SG-CB 3.58Å; C387-D390 PolarHBondContact SG-N 3.18Å; C387-D390 PolarHBondContact SG-OD2 3.4Å; C387-D390 VanDerWaalsContact SG-OD2 3.37Å; C387-F391 WeakPolarHBondContact O-CB 3.49Å; C387-F391 PolarHBondContact O-N 3.49Å
388I87.8Confident86.8Confident61 Ų6164.1 Ų64.131%0.31333%0.334SS..Hα-helixtrans-58.3-32.7-178.6-69.8177000111.5P376 T378 H392P376-I388 HydrophobicContact CB-CD1 3.74Å; P376-I388 HydrophobicContact CG-CD1 4.17Å; T378-I388 HydrophobicContact CG2-CG1 4.34Å; I388-H392 VanDerWaalsContact CG2-CE1 3.47Å; I388-H392 WeakPolarHBondContact CG2-CE1 3.34Å; I388-H392 WeakPolarHBondContact CG2-ND1 3.39Å; I388-H392 WeakPolarHBondContact O-CB 3.25Å; I388-H392 PolarHBondContact O-N 3.3Å
389E84.9Confident86.8Confident100 Ų10062.4 Ų62.447%0.46732%0.324SS..Hα-helixtrans-65.5-53.2177.9-160.6-164.2147.900112.8C387 F391 H392 R393C387-E389 PolarHBondContact O-N 3.5Å; E389-F391 VanDerWaalsContact C-N 3.31Å; E389-F391 PolarHBondContact O-N 3.18Å; E389-H392 PolarHBondContact O-N 3.24Å; E389-R393 WeakPolarHBondContact O-CB 3.36Å; E389-R393 PolarHBondContact O-N 2.9Å; E389-R393 IonicContact OE1-CZ 3.19Å; E389-R393 IonicContact OE1-NH2 3.63Å; E389-R393 PolarHBondContact OE1-NH2 2.93Å
390D88.4Confident86.6Confident13 Ų1363.3 Ų63.37%0.0733%0.332CS..Hα-helixtrans-66.8-33.3179.3-78.3-38.1000112C365 V367 C368 C387 K394C365-D390 PolarHBondContact SG-OD2 3.34Å; C365-D390 VanDerWaalsContact SG-OD2 3.41Å; V367-D390 HydrophobicContact CB-CB 4.04Å; V367-D390 WeakPolarHBondContact CB-OD2 3.27Å; V367-D390 HydrophobicContact CG1-CB 4.17Å; V367-D390 HydrophobicContact CG2-CB 4.38Å; C368-D390 VanDerWaalsContact CB-OD2 3.25Å; C368-D390 WeakPolarHBondContact CB-OD2 3.14Å; C368-D390 PolarHBondContact N-OD2 3.14Å; C368-D390 PolarHBondContact SG-OD2 2.93Å; C387-D390 PolarHBondContact O-N 3.31Å; C387-D390 VanDerWaalsContact SG-CB 3.58Å; C387-D390 PolarHBondContact SG-N 3.18Å; C387-D390 PolarHBondContact SG-OD2 3.4Å; C387-D390 VanDerWaalsContact SG-OD2 3.37Å; D390-K394 WeakPolarHBondContact O-CG 3.49Å; D390-K394 PolarHBondContact O-N 2.97Å
391F89.3Confident86.6Confident45 Ų4566 Ų6620%0.19735%0.349CS..Hα-helixtrans-63.8-57.5174.7-178.8-104.1000111T378 D380 H386 C387 E389 R393 K394 F395T378-F391 HydrophobicContact CG2-CB 3.34Å; T378-F391 HydrophobicContact CG2-CD1 3.57Å; T378-F391 HydrophobicContact CG2-CD2 3.74Å; T378-F391 HydrophobicContact CG2-CE1 4.28Å; T378-F391 HydrophobicContact CG2-CE2 4.42Å; T378-F391 HydrophobicContact CG2-CG 3.26Å; D380-F391 WeakPolarHBondContact OD1-CD2 3.13Å; D380-F391 VanDerWaalsContact OD1-CE2 3.27Å; D380-F391 WeakPolarHBondContact OD1-CE2 3.07Å; H386-F391 HydrophobicContact CB-CB 3.97Å; H386-F391 HydrophobicContact CB-CD2 4.47Å; C387-F391 WeakPolarHBondContact O-CB 3.49Å; C387-F391 PolarHBondContact O-N 3.49Å; E389-F391 VanDerWaalsContact C-N 3.31Å; E389-F391 PolarHBondContact O-N 3.18Å; F391-R393 VanDerWaalsContact C-N 3.3Å; F391-R393 PolarHBondContact O-N 2.89Å; F391-K394 WeakPolarHBondContact O-CB 3.31Å; F391-K394 PolarHBondContact O-N 3.41Å; F391-K394 VanDerWaalsContact O-N 3.07Å; F391-F395 HydrophobicContact CD1-CD2 4.47Å; F391-F395 AromaticContact CD2-CD2 3.42Å; F391-F395 HydrophobicContact CD2-CD2 3.42Å; F391-F395 VanDerWaalsContact CD2-CD2 3.42Å; F391-F395 AromaticContact CD2-CE2 3.59Å; F391-F395 HydrophobicContact CD2-CE2 3.59Å; F391-F395 HydrophobicContact CE1-CD2 4.44Å; F391-F395 AromaticContact CE2-CD2 3.38Å; F391-F395 HydrophobicContact CE2-CD2 3.38Å; F391-F395 AromaticContact CE2-CE2 3.57Å; F391-F395 HydrophobicContact CE2-CE2 3.57Å; F391-F395 HydrophobicContact CE2-CG 4.38Å; F391-F395 AromaticContact CG-CD2 3.99Å; F391-F395 HydrophobicContact CG-CD2 3.99Å; F391-F395 AromaticContact CZ-CD2 3.92Å; F391-F395 HydrophobicContact CZ-CD2 3.92Å; F391-F395 HydrophobicContact CZ-CE2 4.49Å; F391-F395 VanDerWaalsContact O-CD2 3.25Å; F391-F395 WeakPolarHBondContact O-CD2 3.47Å; F391-F395 PolarHBondContact O-N 3.36Å
392H84.6Confident86.6Confident47 Ų4763.9 Ų63.922%0.21833%0.327CS..Hα-helixtrans-64.1-33.6178-68.2164.2000112.2I388 E389 K394 F395 A396 M407I388-H392 VanDerWaalsContact CG2-CE1 3.47Å; I388-H392 WeakPolarHBondContact CG2-CE1 3.34Å; I388-H392 WeakPolarHBondContact CG2-ND1 3.39Å; I388-H392 WeakPolarHBondContact O-CB 3.25Å; I388-H392 PolarHBondContact O-N 3.3Å; E389-H392 PolarHBondContact O-N 3.24Å; H392-K394 PolarHBondContact O-N 3.46Å; H392-K394 VanDerWaalsContact O-N 3.17Å; H392-F395 PolarHBondContact O-N 2.97Å; H392-A396 HydrophobicContact CB-CB 3.97Å; H392-A396 WeakPolarHBondContact O-CA 3.48Å; H392-A396 WeakPolarHBondContact O-CB 3.39Å; H392-A396 PolarHBondContact O-N 2.9Å; H392-M407 HydrophobicContact CB-CE 3.74Å; H392-M407 HydrophobicContact CB-SD 3.31Å; H392-M407 WeakPolarHBondContact CB-SD 3.45Å
393R83.6Confident86.4Confident136 Ų13661.4 Ų61.451%0.51332%0.319SS..Hα-helixtrans-59.3-27.5174.1-171.7-174.2-68.6-156.10.7113E389 F391 R398E389-R393 WeakPolarHBondContact O-CB 3.36Å; E389-R393 PolarHBondContact O-N 2.9Å; E389-R393 IonicContact OE1-CZ 3.19Å; E389-R393 IonicContact OE1-NH2 3.63Å; E389-R393 PolarHBondContact OE1-NH2 2.93Å; F391-R393 VanDerWaalsContact C-N 3.3Å; F391-R393 PolarHBondContact O-N 2.89Å; R393-R398 PolarHBondContact O-NH2 2.89Å
394K81.3Confident86.4Confident116 Ų11659.4 Ų59.450%0.50431%0.309SS..Hα-helixtrans-87.2-46.2172.5-71178.6178.5-1750113.4D390 F391 H392D390-K394 WeakPolarHBondContact O-CG 3.49Å; D390-K394 PolarHBondContact O-N 2.97Å; F391-K394 WeakPolarHBondContact O-CB 3.31Å; F391-K394 PolarHBondContact O-N 3.41Å; F391-K394 VanDerWaalsContact O-N 3.07Å; H392-K394 PolarHBondContact O-N 3.46Å; H392-K394 VanDerWaalsContact O-N 3.17Å
395F82.3Confident86.4Confident118 Ų11856.1 Ų56.152%0.51830%0.298SS..Hα-helixtrans-109.8-13.9-163.9-58.6-66.7000115.8D380 F391 H392D380-F395 WeakPolarHBondContact OD2-CE2 3.39Å; D380-F395 WeakPolarHBondContact OD2-CZ 3.49Å; F391-F395 HydrophobicContact CD1-CD2 4.47Å; F391-F395 AromaticContact CD2-CD2 3.42Å; F391-F395 HydrophobicContact CD2-CD2 3.42Å; F391-F395 VanDerWaalsContact CD2-CD2 3.42Å; F391-F395 AromaticContact CD2-CE2 3.59Å; F391-F395 HydrophobicContact CD2-CE2 3.59Å; F391-F395 HydrophobicContact CE1-CD2 4.44Å; F391-F395 AromaticContact CE2-CD2 3.38Å; F391-F395 HydrophobicContact CE2-CD2 3.38Å; F391-F395 AromaticContact CE2-CE2 3.57Å; F391-F395 HydrophobicContact CE2-CE2 3.57Å; F391-F395 HydrophobicContact CE2-CG 4.38Å; F391-F395 AromaticContact CG-CD2 3.99Å; F391-F395 HydrophobicContact CG-CD2 3.99Å; F391-F395 AromaticContact CZ-CD2 3.92Å; F391-F395 HydrophobicContact CZ-CD2 3.92Å; F391-F395 HydrophobicContact CZ-CE2 4.49Å; F391-F395 VanDerWaalsContact O-CD2 3.25Å; F391-F395 WeakPolarHBondContact O-CD2 3.47Å; F391-F395 PolarHBondContact O-N 3.36Å; H392-F395 PolarHBondContact O-N 2.97Å
396A85.3Confident86.2Confident18 Ų1855.5 Ų55.515%0.14930%0.295CS..SBendtrans-74.4147.6178.100000111.4H392 A405H392-A396 HydrophobicContact CB-CB 3.97Å; H392-A396 WeakPolarHBondContact O-CA 3.48Å; H392-A396 WeakPolarHBondContact O-CB 3.39Å; H392-A396 PolarHBondContact O-N 2.9Å; A396-A405 HydrophobicContact CB-CB 4.3Å
397P85.3Confident85.7Confident42 Ų4259.2 Ų59.227%0.27331%0.313SS..PPolyproline II helixtrans-60.6141.9175.726.2-34.1000110.6I406P397-I406 HydrophobicContact CG-CB 4.5Å; P397-I406 WeakPolarHBondContact O-CG1 3.5Å; P397-I406 PolarHBondContact O-N 2.95Å
398R88.5Confident85Confident142 Ų14260.1 Ų60.154%0.53632%0.319SS..BIsolated β-bridgetrans-93.9142.6176.9-68175.8177.3-87.8-6.8110.3R393 G403 G404R393-R398 PolarHBondContact O-NH2 2.89Å; R398-G403 PolarHBondContact NH1-O 3.44Å; R398-G404 WeakPolarHBondContact CA-O 3.5Å
399C89Confident84.2Confident1 Ų163.2 Ų63.21%0.00733%0.332CS..BIsolated β-bridgetrans-71.7128.5171.3174.10000110.2V401 G403 G404 I406 S424 H426 C429C399-V401 PolarHBondContact O-N 3.15Å; C399-V401 VanDerWaalsContact O-N 3.15Å; C399-G403 WeakPolarHBondContact O-CA 3.44Å; C399-G403 PolarHBondContact O-N 2.82Å; C399-G404 PolarHBondContact N-O 3.48Å; C399-I406 HydrophobicContact CB-CD1 4.28Å; C399-I406 HydrophobicContact CB-CG1 4.17Å; C399-S424 VanDerWaalsContact CA-O 3.3Å; C399-S424 WeakPolarHBondContact CA-O 3.45Å; C399-H426 VanDerWaalsContact CB-CE1 3.45Å; C399-H426 WeakPolarHBondContact CB-CE1 3.3Å; C399-H426 WeakPolarHBondContact CB-ND1 3.11Å; C399-C429 WeakPolarHBondContact SG-CB 3.47Å
400S86.6Confident83.4Confident65 Ų6565.4 Ų65.446%0.45536%0.355SS..THydrogen-bonded Turntrans-67.8-12-177.9-169.20000114.5S424S400-S424 PolarHBondContact N-O 3.41Å
401V84.8Confident82.5Confident81 Ų8168.8 Ų68.849%0.49139%0.393SS..THydrogen-bonded Turntrans-96.6-42.2-178.7176.20000112.1C399 F425 C429C399-V401 PolarHBondContact O-N 3.15Å; C399-V401 VanDerWaalsContact O-N 3.15Å; V401-F425 HydrophobicContact CG2-CD1 3.91Å; V401-F425 HydrophobicContact CG2-CE1 3.96Å; V401-C429 HydrophobicContact CB-CB 4.23Å
402C87Confident81.7Confident73 Ų7371.2 Ų71.249%0.49341%0.405SS..THydrogen-bonded Turntrans-111.4-5.5-175.771.30000114.6G404 H426C402-G404 PolarHBondContact O-N 2.86Å; C402-H426 PolarHBondContact SG-CE1 2.92Å; C402-H426 PolarHBondContact SG-ND1 3Å; C402-H426 VanDerWaalsContact SG-ND1 3.41Å
403G83.2Confident80.6Confident38 Ų3877.6 Ų77.639%0.39243%0.434SS..  trans69.3-10-17800000115.8R398 C399R398-G403 PolarHBondContact NH1-O 3.44Å; C399-G403 WeakPolarHBondContact O-CA 3.44Å; C399-G403 PolarHBondContact O-N 2.82Å
404G84.7Confident80Confident28 Ų2878.7 Ų78.729%0.28945%0.445SS..  trans-69.8150.5178.900000113.1R398 C399 C402R398-G404 WeakPolarHBondContact CA-O 3.5Å; C399-G404 PolarHBondContact N-O 3.48Å; C402-G404 PolarHBondContact O-N 2.86Å
405A87Confident79.7Confident25 Ų2575.4 Ų75.421%0.20744%0.435CS..BIsolated β-bridgetrans-66.1143173.500000111.1A396 M407 H426A396-A405 HydrophobicContact CB-CB 4.3Å; A405-M407 HydrophobicContact CB-SD 4.39Å; A405-M407 PolarHBondContact O-N 2.95Å; A405-H426 PolarHBondContact O-NE2 2.87Å
406I85.6Confident79.7Confident4 Ų474.6 Ų74.62%0.02144%0.44CS..  trans-92.296.8175.3-53.8165.4000107.8P397 C399 R417P397-I406 HydrophobicContact CG-CB 4.5Å; P397-I406 WeakPolarHBondContact O-CG1 3.5Å; P397-I406 PolarHBondContact O-N 2.95Å; C399-I406 HydrophobicContact CB-CD1 4.28Å; C399-I406 HydrophobicContact CB-CG1 4.17Å; I406-R417 HydrophobicContact CD1-CB 4.17Å; I406-R417 HydrophobicContact CG2-CB 3.81Å
407M79.5Confident79.7Confident78 Ų7879 Ų7938%0.38445%0.452SS..PPolyproline II helixtrans-91151.2-177.4-61.7-68.2-67.800111.1H392 A405H392-M407 HydrophobicContact CB-CE 3.74Å; H392-M407 HydrophobicContact CB-SD 3.31Å; H392-M407 WeakPolarHBondContact CB-SD 3.45Å; A405-M407 HydrophobicContact CB-SD 4.39Å; A405-M407 PolarHBondContact O-N 2.95Å
408P75.6Confident79.8Confident31 Ų3178 Ų7820%0.20145%0.445CS..PPolyproline II helixtrans-76.9155.3162.432.9-29.7000109.7T415P408-T415 HydrophobicContact CB-CG2 3.91Å; P408-T415 HydrophobicContact CG-CG2 4.01Å
409E72.9Confident79.6Confident126 Ų12675.4 Ų75.459%0.58945%0.445SS*.PPolyproline II helixtrans-71.9149172.5-59.8-169.6132.600110.8G411 Q412E409-G411 PolarHBondContact O-N 3.03Å; E409-Q412 HydrophobicContact CB-CG 4.5Å; E409-Q412 PolarHBondContact O-N 2.92Å; E409-Q412 PolarHBondContact OE2-NE2 3.26Å
410P67.6Low79.3Confident147 Ų14776 Ų7696%0.95545%0.45SS*.THydrogen-bonded Turntrans-60.5100.9-177.7-24.735.5000112.9
411G69.4Low79Confident83 Ų8376.5 Ų76.586%0.85645%0.447SS*.THydrogen-bonded Turntrans119.5-7.2-176.800000114.8E409E409-G411 PolarHBondContact O-N 3.03Å
412Q71.8Confident78.9Confident97 Ų9780.8 Ų80.845%0.45347%0.467SS..  trans-97.2133.8169.4-67.8166.622.400109.9E409E409-Q412 HydrophobicContact CB-CG 4.5Å; E409-Q412 PolarHBondContact O-N 2.92Å; E409-Q412 PolarHBondContact OE2-NE2 3.26Å
413E62.7Low78.8Confident180 Ų18082.1 Ų82.184%0.84146%0.461SS*.SBendtrans-84.9-18.5178.1-63.4-168.2141.200113.1
414E71.1Confident79.1Confident159 Ų15981.3 Ų81.374%0.74345%0.45SS*.SBendtrans-110.4135.2-176.7-62.4-164.4143.900113V416E414-V416 PolarHBondContact O-N 3.14Å
415T74.8Confident79.2Confident48 Ų4880.1 Ų80.129%0.29444%0.437SS..  trans-87.3100.3172.461.20000110.6P408 R417P408-T415 HydrophobicContact CB-CG2 3.91Å; P408-T415 HydrophobicContact CG-CG2 4.01Å; T415-R417 PolarHBondContact O-N 3.45Å; T415-R417 VanDerWaalsContact O-N 3.14Å
416V81.8Confident79.3Confident100 Ų10081.3 Ų81.361%0.60644%0.438SS*.  trans-68.3113.2169.2-173.50000108.8E414 I427E414-V416 PolarHBondContact O-N 3.14Å; V416-I427 HydrophobicContact CB-CD1 4.24Å; V416-I427 HydrophobicContact CG1-CD1 3.8Å; V416-I427 HydrophobicContact CG1-CG1 4.36Å
417R85.7Confident79.3Confident110 Ų11085.8 Ų85.842%0.41546%0.461SS..  trans-137142.6177.774.3178.7-173.7-100.2-0.7110.3I406 T415 V419I406-R417 HydrophobicContact CD1-CB 4.17Å; I406-R417 HydrophobicContact CG2-CB 3.81Å; T415-R417 PolarHBondContact O-N 3.45Å; T415-R417 VanDerWaalsContact O-N 3.14Å; R417-V419 HydrophobicContact CG-CG2 4.14Å
418I86Confident79.5Confident23 Ų2384.7 Ų84.712%0.11847%0.47CS..EExtended strand (participates in β ladder)trans-87.3133.7174.6-59.6177.5000107.8S424 F425 I427 Y430I418-S424 CarbonylContact O-C 3.57Å; I418-S424 WeakPolarHBondContact O-CA 3.33Å; I418-F425 HydrophobicContact CB-CB 4.43Å; I418-F425 PolarHBondContact N-O 3.17Å; I418-F425 VanDerWaalsContact N-O 3.07Å; I418-F425 PolarHBondContact O-N 3.19Å; I418-I427 HydrophobicContact CD1-CG2 4.47Å; I418-Y430 HydrophobicContact CB-CD1 4.43Å; I418-Y430 HydrophobicContact CB-CG 4.27Å; I418-Y430 HydrophobicContact CD1-CD1 3.45Å; I418-Y430 VanDerWaalsContact CD1-CD1 3.45Å; I418-Y430 HydrophobicContact CD1-CE1 4.17Å; I418-Y430 HydrophobicContact CD1-CG 3.87Å; I418-Y430 HydrophobicContact CG1-CD1 4.49Å; I418-Y430 HydrophobicContact CG2-CD1 3.81Å; I418-Y430 HydrophobicContact CG2-CD2 3.87Å; I418-Y430 HydrophobicContact CG2-CE1 3.83Å; I418-Y430 HydrophobicContact CG2-CE2 3.9Å; I418-Y430 HydrophobicContact CG2-CG 3.8Å
419V86.1Confident80Confident87 Ų8784.5 Ų84.553%0.52747%0.469SS..EExtended strand (participates in β ladder)trans-119.8121.4177.9-178.50000108.2R417 R423R417-V419 HydrophobicContact CG-CG2 4.14Å; V419-R423 WeakPolarHBondContact CA-O 3.38Å
420A82.1Confident80.7Confident14 Ų1478.9 Ų78.912%0.11644%0.442CS..EExtended strand (participates in β ladder)trans-149.4140.9178.700000109D422 R423 F425 Y430A420-D422 PolarHBondContact O-N 2.79Å; A420-R423 PolarHBondContact N-O 3.2Å; A420-R423 WeakPolarHBondContact O-CA 3.39Å; A420-R423 WeakPolarHBondContact O-CB 3.49Å; A420-R423 PolarHBondContact O-N 3.25Å; A420-R423 VanDerWaalsContact O-O 3.11Å; A420-F425 HydrophobicContact CB-CE2 4.19Å; A420-Y430 HydrophobicContact CB-CE2 4.02Å
421L79.6Confident81.7Confident74 Ų7476.3 Ų76.339%0.38742%0.416SS..THydrogen-bonded Turntrans5637.8177.3-39.4175000113R423 P450 I455L421-R423 PolarHBondContact O-N 2.76Å; L421-P450 HydrophobicContact CD1-CB 3.75Å; L421-P450 HydrophobicContact CD2-CB 3.58Å; L421-P450 HydrophobicContact CD2-CG 3.78Å; L421-P450 HydrophobicContact CG-CB 4.3Å; L421-I455 HydrophobicContact CD1-CD1 4.5Å; L421-I455 HydrophobicContact CD1-CG1 4.03Å
422D82.1Confident82.6Confident172 Ų17272.4 Ų72.492%0.9238%0.375SS*.THydrogen-bonded Turntrans55.98.3-171.2-58.4-45.2000115.8A420A420-D422 PolarHBondContact O-N 2.79Å
423R86.1Confident83.2Confident100 Ų10072.7 Ų72.738%0.37738%0.377SS..EExtended strand (participates in β ladder)trans-98.4151.8174.7-64.4169.3-174.2176.55.9110.1V419 A420 L421 F425 G453V419-R423 WeakPolarHBondContact CA-O 3.38Å; A420-R423 PolarHBondContact N-O 3.2Å; A420-R423 WeakPolarHBondContact O-CA 3.39Å; A420-R423 WeakPolarHBondContact O-CB 3.49Å; A420-R423 PolarHBondContact O-N 3.25Å; A420-R423 VanDerWaalsContact O-O 3.11Å; L421-R423 PolarHBondContact O-N 2.76Å; R423-F425 HydrophobicContact CB-CE2 3.6Å; R423-F425 HydrophobicContact CB-CZ 3.49Å; R423-F425 VanDerWaalsContact CB-CZ 3.49Å; R423-F425 HydrophobicContact CG-CZ 4.48Å; R423-F425 WeakPolarHBondContact O-CE2 3.47Å; R423-G453 PolarHBondContact NH1-O 3.25Å
424S88.7Confident84.2Confident21 Ų2168.3 Ų68.315%0.14736%0.356CS..EExtended strand (participates in β ladder)trans-106.3150.5173.4-65.50000111.2C399 S400 I418C399-S424 VanDerWaalsContact CA-O 3.3Å; C399-S424 WeakPolarHBondContact CA-O 3.45Å; S400-S424 PolarHBondContact N-O 3.41Å; I418-S424 CarbonylContact O-C 3.57Å; I418-S424 WeakPolarHBondContact O-CA 3.33Å
425F87.8Confident85Confident3 Ų364 Ų641%0.01334%0.343CS..EExtended strand (participates in β ladder)trans-140.9142.8-177.8-54-89.1000111.4V401 I418 A420 R423 Y430 I455V401-F425 HydrophobicContact CG2-CD1 3.91Å; V401-F425 HydrophobicContact CG2-CE1 3.96Å; I418-F425 HydrophobicContact CB-CB 4.43Å; I418-F425 PolarHBondContact N-O 3.17Å; I418-F425 VanDerWaalsContact N-O 3.07Å; I418-F425 PolarHBondContact O-N 3.19Å; A420-F425 HydrophobicContact CB-CE2 4.19Å; R423-F425 HydrophobicContact CB-CE2 3.6Å; R423-F425 HydrophobicContact CB-CZ 3.49Å; R423-F425 VanDerWaalsContact CB-CZ 3.49Å; R423-F425 HydrophobicContact CG-CZ 4.48Å; R423-F425 WeakPolarHBondContact O-CE2 3.47Å; F425-Y430 HydrophobicContact CB-CD2 4.49Å; F425-Y430 HydrophobicContact CD2-CD2 4.09Å; F425-Y430 HydrophobicContact CG-CD2 4.16Å; F425-I455 HydrophobicContact CD1-CD1 4.48Å; F425-I455 HydrophobicContact CE1-CD1 3.58Å; F425-I455 HydrophobicContact CE2-CD1 3.97Å; F425-I455 HydrophobicContact CZ-CD1 3.29Å
426H88.1Confident85.5Confident50 Ų5063.8 Ų63.823%0.23135%0.35CS..  trans-65.4148.9158.1-56.3101000109.1C399 C402 A405 G428 C429 Y430C399-H426 VanDerWaalsContact CB-CE1 3.45Å; C399-H426 WeakPolarHBondContact CB-CE1 3.3Å; C399-H426 WeakPolarHBondContact CB-ND1 3.11Å; C402-H426 PolarHBondContact SG-CE1 2.92Å; C402-H426 PolarHBondContact SG-ND1 3Å; C402-H426 VanDerWaalsContact SG-ND1 3.41Å; A405-H426 PolarHBondContact O-NE2 2.87Å; H426-G428 PolarHBondContact O-N 2.91Å; H426-C429 HydrophobicContact CB-CB 4.11Å; H426-C429 WeakPolarHBondContact O-CA 3.48Å; H426-C429 WeakPolarHBondContact O-CB 3.44Å; H426-C429 PolarHBondContact O-N 2.77Å; H426-Y430 PolarHBondContact O-N 3.07Å
427I85.3Confident85.6Confident98 Ų9863.1 Ų63.150%0.50334%0.343SS..G310 helixtrans-51.9-52.6-179.7-55.1170.9000110.9V416 I418 C429 Y430V416-I427 HydrophobicContact CB-CD1 4.24Å; V416-I427 HydrophobicContact CG1-CD1 3.8Å; V416-I427 HydrophobicContact CG1-CG1 4.36Å; I418-I427 HydrophobicContact CD1-CG2 4.47Å; I427-C429 PolarHBondContact O-N 2.84Å; I427-Y430 PolarHBondContact O-N 3.25Å
428G83.9Confident85.6Confident55 Ų5562.4 Ų62.457%0.56735%0.347SS*.G310 helixtrans-71.1-4177.800000116.3H426H426-G428 PolarHBondContact O-N 2.91Å
429C87Confident85.4Confident27 Ų2761.7 Ų61.718%0.18234%0.343CS..G310 helixtrans-100.9-13.8174.4-72.10000113.1C399 V401 H426 I427 K431C399-C429 WeakPolarHBondContact SG-CB 3.47Å; V401-C429 HydrophobicContact CB-CB 4.23Å; H426-C429 HydrophobicContact CB-CB 4.11Å; H426-C429 WeakPolarHBondContact O-CA 3.48Å; H426-C429 WeakPolarHBondContact O-CB 3.44Å; H426-C429 PolarHBondContact O-N 2.77Å; I427-C429 PolarHBondContact O-N 2.84Å; C429-K431 PolarHBondContact O-N 3.21Å
430Y87.5Confident85Confident9 Ų959.6 Ų59.64%0.03533%0.332CS..  trans-85.789.1179.2-179.2-112.4000109.9I418 A420 F425 H426 I427 L439 C448 I455I418-Y430 HydrophobicContact CB-CD1 4.43Å; I418-Y430 HydrophobicContact CB-CG 4.27Å; I418-Y430 HydrophobicContact CD1-CD1 3.45Å; I418-Y430 VanDerWaalsContact CD1-CD1 3.45Å; I418-Y430 HydrophobicContact CD1-CE1 4.17Å; I418-Y430 HydrophobicContact CD1-CG 3.87Å; I418-Y430 HydrophobicContact CG1-CD1 4.49Å; I418-Y430 HydrophobicContact CG2-CD1 3.81Å; I418-Y430 HydrophobicContact CG2-CD2 3.87Å; I418-Y430 HydrophobicContact CG2-CE1 3.83Å; I418-Y430 HydrophobicContact CG2-CE2 3.9Å; I418-Y430 HydrophobicContact CG2-CG 3.8Å; A420-Y430 HydrophobicContact CB-CE2 4.02Å; F425-Y430 HydrophobicContact CB-CD2 4.49Å; F425-Y430 HydrophobicContact CD2-CD2 4.09Å; F425-Y430 HydrophobicContact CG-CD2 4.16Å; H426-Y430 PolarHBondContact O-N 3.07Å; I427-Y430 PolarHBondContact O-N 3.25Å; Y430-L439 HydrophobicContact CD1-CB 3.74Å; Y430-L439 WeakPolarHBondContact CD1-O 3.3Å; Y430-L439 HydrophobicContact CE1-CB 3.47Å; Y430-L439 VanDerWaalsContact CE1-CB 3.47Å; Y430-L439 WeakPolarHBondContact CE1-O 3.27Å; Y430-L439 PolarHBondContact O-N 3.42Å; Y430-C448 HydrophobicContact CE2-CB 4.27Å; Y430-C448 WeakPolarHBondContact OH-CB 3.45Å; Y430-C448 PolarHBondContact OH-SG 3.2Å; Y430-I455 HydrophobicContact CE2-CG2 4.43Å
431K88.1Confident84.4Confident93 Ų9362.8 Ų62.840%0.40435%0.354SS..BIsolated β-bridgetrans-143.6159.3-174.663.2-172.9179.7-178.20111.1C429 E433 L437 L438C429-K431 PolarHBondContact O-N 3.21Å; K431-E433 PolarHBondContact O-N 3.31Å; K431-L437 CarbonylContact C-O 3.49Å; K431-L437 WeakPolarHBondContact CA-O 3.28Å; K431-L437 WeakPolarHBondContact CB-O 3.3Å; K431-L438 HydrophobicContact CB-CD2 4.28Å
432C87.9Confident83.8Confident0 Ų068.1 Ų68.10%038%0.377CS..  trans-59127.4170-175.80000110.1E434 C435 G436 L437 I455 C457 C460C432-E434 VanDerWaalsContact C-N 3.28Å; C432-E434 PolarHBondContact O-N 3.07Å; C432-C435 VanDerWaalsContact CB-SG 3.56Å; C432-C435 PolarHBondContact SG-SG 3.43Å; C432-G436 WeakPolarHBondContact O-CA 3.33Å; C432-G436 PolarHBondContact O-N 3.36Å; C432-L437 HydrophobicContact CB-CB 4.36Å; C432-L437 PolarHBondContact N-O 3.03Å; C432-I455 WeakPolarHBondContact CA-O 3.34Å; C432-C457 HydrophobicContact CB-CB 4.07Å; C432-C457 PolarHBondContact SG-N 3.07Å; C432-C460 VanDerWaalsContact SG-SG 3.62Å
433E85.4Confident82.6Confident104 Ų10461.3 Ų61.349%0.48635%0.347SS..THydrogen-bonded Turntrans-67.3-29.2179.5-71.2173.7-133.100112.8K431 H454 I455K431-E433 PolarHBondContact O-N 3.31Å; E433-H454 WeakPolarHBondContact OE1-CA 3.37Å; E433-H454 IonicContact OE2-CE1 3.54Å; E433-H454 IonicContact OE2-CG 3.26Å; E433-H454 IonicContact OE2-ND1 2.97Å; E433-H454 PolarHBondContact OE2-ND1 3.22Å; E433-I455 PolarHBondContact N-O 2.91Å; E433-I455 PolarHBondContact OE1-N 3.37Å
434E84.1Confident81.3Confident88 Ų8865.2 Ų65.241%0.41137%0.369SS..THydrogen-bonded Turntrans-92.2-36.1-172.9-167.7174.8-110.100113.2C432 L456 C460C432-E434 VanDerWaalsContact C-N 3.28Å; C432-E434 PolarHBondContact O-N 3.07Å; E434-L456 HydrophobicContact CB-CD2 3.92Å; E434-C460 HydrophobicContact CB-CB 4.39Å; E434-C460 WeakPolarHBondContact OE2-CB 3.21Å; E434-C460 PolarHBondContact OE2-SG 3.01Å
435C87.5Confident79.6Confident69 Ų6969.1 Ų69.147%0.46640%0.396SS..THydrogen-bonded Turntrans-118.62.1-179.573.50000115.3C432 L437 C457C432-C435 VanDerWaalsContact CB-SG 3.56Å; C432-C435 PolarHBondContact SG-SG 3.43Å; C435-L437 PolarHBondContact O-N 3.48Å; C435-C457 VanDerWaalsContact SG-SG 3.61Å
436G83.8Confident78.6Confident42 Ų4273.4 Ų73.443%0.43342%0.416SS..  trans70.5-517500000116.5C432 L438C432-G436 WeakPolarHBondContact O-CA 3.33Å; C432-G436 PolarHBondContact O-N 3.36Å; G436-L438 PolarHBondContact O-N 2.78Å
437L85.7Confident77.8Confident87 Ų8772.2 Ų72.246%0.45542%0.417SS..PPolyproline II helixtrans-57.5122.7179.7179.465.8000111.4K431 C432 C435 L439 C457K431-L437 CarbonylContact C-O 3.49Å; K431-L437 WeakPolarHBondContact CA-O 3.28Å; K431-L437 WeakPolarHBondContact CB-O 3.3Å; C432-L437 HydrophobicContact CB-CB 4.36Å; C432-L437 PolarHBondContact N-O 3.03Å; C435-L437 PolarHBondContact O-N 3.48Å; L437-L439 PolarHBondContact O-N 2.96Å; L437-C457 HydrophobicContact CD2-CB 4.1Å
438L85.1Confident77.5Confident95 Ų9569.2 Ų69.250%0.49740%0.404SS..BIsolated β-bridgetrans-59.1131.6169.7-75.3168.6000109.8K431 G436K431-L438 HydrophobicContact CB-CD2 4.28Å; G436-L438 PolarHBondContact O-N 2.78Å
439L82.3Confident77.5Confident8 Ų870.8 Ų70.84%0.04239%0.394CS..PPolyproline II helixtrans-99.9153.5179.8-61177000109.3Y430 L437 Q446 C448 I455 C457Y430-L439 HydrophobicContact CD1-CB 3.74Å; Y430-L439 WeakPolarHBondContact CD1-O 3.3Å; Y430-L439 HydrophobicContact CE1-CB 3.47Å; Y430-L439 VanDerWaalsContact CE1-CB 3.47Å; Y430-L439 WeakPolarHBondContact CE1-O 3.27Å; Y430-L439 PolarHBondContact O-N 3.42Å; L437-L439 PolarHBondContact O-N 2.96Å; L439-Q446 WeakPolarHBondContact CA-O 3.19Å; L439-C448 HydrophobicContact CD1-CB 3.78Å; L439-I455 HydrophobicContact CD1-CG2 3.48Å; L439-I455 VanDerWaalsContact CD1-CG2 3.48Å; L439-C457 HydrophobicContact CD2-CB 3.76Å
440S77.8Confident77.1Confident42 Ų4272.9 Ų72.929%0.29441%0.407SS..  trans-126.9137.3-176.3-580000109.9E442 Q446S440-E442 VanDerWaalsContact C-N 3.28Å; S440-E442 PolarHBondContact O-N 3.46Å; S440-Q446 PolarHBondContact N-O 3.37Å; S440-Q446 CarbonylContact O-C 3.51Å; S440-Q446 PolarHBondContact OG-OE1 3.33Å
441S68Low76.9Confident82 Ų8274 Ų7457%0.57341%0.413SS*.THydrogen-bonded Turntrans-71.5-18.8178.336.60000114.2
442E67.3Low76.4Confident186 Ų18676 Ų7687%0.86943%0.428SS*.THydrogen-bonded Turntrans-123.425-162.6-67.3170.39400113.9S440S440-E442 VanDerWaalsContact C-N 3.28Å; S440-E442 PolarHBondContact O-N 3.46Å
443G57.6Low75.8Confident29 Ų2977.5 Ų77.530%0.29944%0.444SS..  trans-138.1126.7176.800000113.9C445 Q446 G447G443-C445 PolarHBondContact O-N 3.33Å; G443-Q446 PolarHBondContact O-N 2.83Å; G443-G447 PolarHBondContact O-N 3.34Å
444E57.9Low75.5Confident181 Ų18177.1 Ų77.185%0.84644%0.442SS*.THydrogen-bonded Turntrans-45.8-26-179.4-106.586.5-179.200115.8
445C54.6Low75.6Confident104 Ų10473.1 Ų73.170%0.70342%0.424SS*.THydrogen-bonded Turntrans-113.41.3-176.8-68.20000114.7G443G443-C445 PolarHBondContact O-N 3.33Å
446Q65.6Low75.5Confident93 Ų9370.2 Ų70.244%0.43540%0.403SS..THydrogen-bonded Turntrans-121.92.7-176.9-72.8-173-10.300114.7L439 S440 G443L439-Q446 WeakPolarHBondContact CA-O 3.19Å; S440-Q446 PolarHBondContact N-O 3.37Å; S440-Q446 CarbonylContact O-C 3.51Å; S440-Q446 PolarHBondContact OG-OE1 3.33Å; G443-Q446 PolarHBondContact O-N 2.83Å
447G70.8Confident75.7Confident25 Ų2568.8 Ų68.826%0.25839%0.386SS..  trans-62.5157.4174.200000113.9G443 Y449G443-G447 PolarHBondContact O-N 3.34Å; G447-Y449 WeakPolarHBondContact O-CD2 3.22Å
448C80.1Confident75.7Confident34 Ų3469.9 Ų69.923%0.2339%0.388CS..  trans-78.9146.7174.667.70000112.6Y430 L439 I455Y430-C448 HydrophobicContact CE2-CB 4.27Å; Y430-C448 WeakPolarHBondContact OH-CB 3.45Å; Y430-C448 PolarHBondContact OH-SG 3.2Å; L439-C448 HydrophobicContact CD1-CB 3.78Å; C448-I455 HydrophobicContact CB-CG2 4.08Å
449Y83.3Confident75.8Confident88 Ų8868.8 Ų68.835%0.34539%0.392SS..EExtended strand (participates in β ladder)trans-119.1105.8171.7-71.2-94.3000108.4G447 L456 K458 S461G447-Y449 WeakPolarHBondContact O-CD2 3.22Å; Y449-L456 PolarHBondContact N-O 3.13Å; Y449-L456 PolarHBondContact O-N 3.02Å; Y449-K458 HydrophobicContact CD2-CB 3.93Å; Y449-K458 HydrophobicContact CD2-CG 4.43Å; Y449-K458 HydrophobicContact CE2-CB 3.53Å; Y449-K458 HydrophobicContact CE2-CD 4.21Å; Y449-K458 HydrophobicContact CE2-CG 3.77Å; Y449-S461 VanDerWaalsContact CB-CB 3.43Å; Y449-S461 VanDerWaalsContact CB-OG 3.3Å; Y449-S461 WeakPolarHBondContact CB-OG 3.45Å
450P79.8Confident76.1Confident71 Ų7169 Ų6946%0.46139%0.394SS..EExtended strand (participates in β ladder)trans-77.1131.1-178.930.7-34.7000111.7L421 H454L421-P450 HydrophobicContact CD1-CB 3.75Å; L421-P450 HydrophobicContact CD2-CB 3.58Å; L421-P450 HydrophobicContact CD2-CG 3.78Å; L421-P450 HydrophobicContact CG-CB 4.3Å; P450-H454 WeakPolarHBondContact CA-O 3.19Å
451L81.9Confident76.5Confident32 Ų3267.3 Ų67.317%0.16838%0.382CS..EExtended strand (participates in β ladder)trans-137.9124.2172.4-86.1147.9000108.7G453 H454 L456 S461 R464 I465L451-G453 PolarHBondContact O-N 2.85Å; L451-H454 PolarHBondContact N-O 2.99Å; L451-H454 WeakPolarHBondContact O-CB 3.48Å; L451-H454 PolarHBondContact O-N 3.03Å; L451-L456 HydrophobicContact CB-CD1 4.3Å; L451-L456 HydrophobicContact CD1-CD1 4Å; L451-S461 VanDerWaalsContact CD1-CB 3.48Å; L451-R464 HydrophobicContact CD1-CB 4.3Å; L451-I465 HydrophobicContact CD1-CD1 4.07Å; L451-I465 HydrophobicContact CD1-CG1 3.94Å; L451-I465 HydrophobicContact CD2-CD1 4.21Å; L451-I465 HydrophobicContact CD2-CG1 3.76Å; L451-I465 HydrophobicContact CG-CG1 4.48Å
452D77.8Confident77.4Confident136 Ų13665.5 Ų65.573%0.72737%0.372SS*.THydrogen-bonded Turntrans50.724.2177-53.1-40.6000115.9
453G75.2Confident78.3Confident32 Ų3262.9 Ų62.933%0.3335%0.354SS..THydrogen-bonded Turntrans92.5-0.7-178.200000115.4R423 L451R423-G453 PolarHBondContact NH1-O 3.25Å; L451-G453 PolarHBondContact O-N 2.85Å
454H80.3Confident79.6Confident95 Ų9565.8 Ų65.844%0.4436%0.356SS..EExtended strand (participates in β ladder)trans-88.9151.4171.1-62.9-80000112.1E433 P450 L451E433-H454 WeakPolarHBondContact OE1-CA 3.37Å; E433-H454 IonicContact OE2-CE1 3.54Å; E433-H454 IonicContact OE2-CG 3.26Å; E433-H454 IonicContact OE2-ND1 2.97Å; E433-H454 PolarHBondContact OE2-ND1 3.22Å; P450-H454 WeakPolarHBondContact CA-O 3.19Å; L451-H454 PolarHBondContact N-O 2.99Å; L451-H454 WeakPolarHBondContact O-CB 3.48Å; L451-H454 PolarHBondContact O-N 3.03Å
455I84.6Confident81Confident5 Ų561.4 Ų61.43%0.02634%0.338CS..EExtended strand (participates in β ladder)trans-103109.2176.9-66.6177.5000109.2L421 F425 Y430 C432 E433 L439 C448L421-I455 HydrophobicContact CD1-CD1 4.5Å; L421-I455 HydrophobicContact CD1-CG1 4.03Å; F425-I455 HydrophobicContact CD1-CD1 4.48Å; F425-I455 HydrophobicContact CE1-CD1 3.58Å; F425-I455 HydrophobicContact CE2-CD1 3.97Å; F425-I455 HydrophobicContact CZ-CD1 3.29Å; Y430-I455 HydrophobicContact CE2-CG2 4.43Å; C432-I455 WeakPolarHBondContact CA-O 3.34Å; E433-I455 PolarHBondContact N-O 2.91Å; E433-I455 PolarHBondContact OE1-N 3.37Å; L439-I455 HydrophobicContact CD1-CG2 3.48Å; L439-I455 VanDerWaalsContact CD1-CG2 3.48Å; C448-I455 HydrophobicContact CB-CG2 4.08Å
456L86Confident82.4Confident8 Ų862.5 Ų62.54%0.04233%0.332CS..EExtended strand (participates in β ladder)trans-116.7155.8-178.6-58.9-179.7000111.9E434 Y449 L451 C460 R464E434-L456 HydrophobicContact CB-CD2 3.92Å; Y449-L456 PolarHBondContact N-O 3.13Å; Y449-L456 PolarHBondContact O-N 3.02Å; L451-L456 HydrophobicContact CB-CD1 4.3Å; L451-L456 HydrophobicContact CD1-CD1 4Å; L456-C460 HydrophobicContact CB-CB 3.99Å; L456-C460 HydrophobicContact CD1-CB 4.48Å; L456-C460 HydrophobicContact CD2-CB 4.19Å; L456-C460 HydrophobicContact CG-CB 4.45Å; L456-R464 HydrophobicContact CD1-CB 4.11Å; L456-R464 HydrophobicContact CD1-CG 4.25Å
457C88.3Confident83.2Confident11 Ų1161.5 Ų61.57%0.07433%0.328CS..  trans-82.2165.1165.377.90000110.7C432 C435 L437 L439 A459 C460 S461C432-C457 HydrophobicContact CB-CB 4.07Å; C432-C457 PolarHBondContact SG-N 3.07Å; C435-C457 VanDerWaalsContact SG-SG 3.61Å; L437-C457 HydrophobicContact CD2-CB 4.1Å; L439-C457 HydrophobicContact CD2-CB 3.76Å; C457-A459 PolarHBondContact O-N 3.36Å; C457-C460 PolarHBondContact O-N 3.44Å; C457-C460 VanDerWaalsContact O-N 3.14Å; C457-S461 PolarHBondContact O-N 2.88Å; C457-S461 PolarHBondContact O-OG 3.38Å; C457-S461 VanDerWaalsContact O-OG 3.1Å
458K86.4Confident83.6Confident111 Ų11163.4 Ų63.448%0.48333%0.332SS..Hα-helixtrans-50.8-34-177.1-166.3172.5-178.1173.70115.2Y449 S461 A462Y449-K458 HydrophobicContact CD2-CB 3.93Å; Y449-K458 HydrophobicContact CD2-CG 4.43Å; Y449-K458 HydrophobicContact CE2-CB 3.53Å; Y449-K458 HydrophobicContact CE2-CD 4.21Å; Y449-K458 HydrophobicContact CE2-CG 3.77Å; K458-S461 WeakPolarHBondContact CA-OG 3.1Å; K458-S461 PolarHBondContact O-OG 3.07Å; K458-S461 VanDerWaalsContact O-OG 3.09Å; K458-A462 WeakPolarHBondContact O-CB 3.49Å; K458-A462 PolarHBondContact O-N 3.14Å
459A86.6Confident83.6Confident71 Ų7164.8 Ų64.859%0.58734%0.342SS*.Hα-helixtrans-77-51.3178.900000111.7C457 S461 A462 W463C457-A459 PolarHBondContact O-N 3.36Å; A459-S461 PolarHBondContact O-N 2.86Å; A459-A462 PolarHBondContact O-N 3.42Å; A459-W463 PolarHBondContact O-N 2.79Å
460C87.6Confident83.2Confident14 Ų1463.1 Ų63.110%0.09535%0.346CS..Hα-helixtrans-57.3-45.3175.5-720000111.9C432 E434 L456 C457 A462 W463 R464C432-C460 VanDerWaalsContact SG-SG 3.62Å; E434-C460 HydrophobicContact CB-CB 4.39Å; E434-C460 WeakPolarHBondContact OE2-CB 3.21Å; E434-C460 PolarHBondContact OE2-SG 3.01Å; L456-C460 HydrophobicContact CB-CB 3.99Å; L456-C460 HydrophobicContact CD1-CB 4.48Å; L456-C460 HydrophobicContact CD2-CB 4.19Å; L456-C460 HydrophobicContact CG-CB 4.45Å; C457-C460 PolarHBondContact O-N 3.44Å; C457-C460 VanDerWaalsContact O-N 3.14Å; C460-A462 PolarHBondContact O-N 3.33Å; C460-W463 PolarHBondContact O-N 2.97Å; C460-R464 VanDerWaalsContact O-CB 3.3Å; C460-R464 WeakPolarHBondContact O-CB 3.31Å; C460-R464 PolarHBondContact O-N 3.1Å
461S86.9Confident82.5Confident6 Ų663.6 Ų63.64%0.04235%0.348CS..Hα-helixtrans-62.4-41.6177.257.90000112.9Y449 L451 C457 K458 A459 I465Y449-S461 VanDerWaalsContact CB-CB 3.43Å; Y449-S461 VanDerWaalsContact CB-OG 3.3Å; Y449-S461 WeakPolarHBondContact CB-OG 3.45Å; L451-S461 VanDerWaalsContact CD1-CB 3.48Å; C457-S461 PolarHBondContact O-N 2.88Å; C457-S461 PolarHBondContact O-OG 3.38Å; C457-S461 VanDerWaalsContact O-OG 3.1Å; K458-S461 WeakPolarHBondContact CA-OG 3.1Å; K458-S461 PolarHBondContact O-OG 3.07Å; K458-S461 VanDerWaalsContact O-OG 3.09Å; A459-S461 PolarHBondContact O-N 2.86Å; S461-I465 WeakPolarHBondContact O-CB 3.49Å; S461-I465 WeakPolarHBondContact O-CD1 3.29Å; S461-I465 VanDerWaalsContact O-CG1 3.22Å; S461-I465 WeakPolarHBondContact O-CG1 3.38Å; S461-I465 PolarHBondContact O-N 3.49Å
462A87.2Confident81.6Confident43 Ų4367.4 Ų67.436%0.35537%0.372SS..Hα-helixtrans-66.2-41.6177.700000111.7K458 A459 C460 I465 Q466K458-A462 WeakPolarHBondContact O-CB 3.49Å; K458-A462 PolarHBondContact O-N 3.14Å; A459-A462 PolarHBondContact O-N 3.42Å; C460-A462 PolarHBondContact O-N 3.33Å; A462-I465 PolarHBondContact O-N 3.04Å; A462-Q466 VanDerWaalsContact O-CG 3.31Å; A462-Q466 WeakPolarHBondContact O-CG 3.36Å; A462-Q466 PolarHBondContact O-N 3.32Å; A462-Q466 VanDerWaalsContact O-N 3.1Å
463W85.8Confident80.8Confident132 Ų13266 Ų6650%0.537%0.369SS..Hα-helixtrans-64.9-45.5176.1-17379.2000111.9A459 C460 I465 Q466 E467A459-W463 PolarHBondContact O-N 2.79Å; C460-W463 PolarHBondContact O-N 2.97Å; W463-I465 VanDerWaalsContact C-N 3.34Å; W463-I465 PolarHBondContact O-N 3.3Å; W463-Q466 WeakPolarHBondContact O-CB 3.4Å; W463-Q466 PolarHBondContact O-N 2.71Å; W463-E467 VanDerWaalsContact CH2-OE1 3.28Å; W463-E467 WeakPolarHBondContact CH2-OE1 3.3Å; W463-E467 PolarHBondContact O-N 2.96Å
464R85Confident80.1Confident89 Ų8969.9 Ų69.934%0.33639%0.386SS..Hα-helixtrans-58.6-42176.5-158.379.3-171.6146.612.4112.5L451 L456 C460 Q466 E467 L468L451-R464 HydrophobicContact CD1-CB 4.3Å; L456-R464 HydrophobicContact CD1-CB 4.11Å; L456-R464 HydrophobicContact CD1-CG 4.25Å; C460-R464 VanDerWaalsContact O-CB 3.3Å; C460-R464 WeakPolarHBondContact O-CB 3.31Å; C460-R464 PolarHBondContact O-N 3.1Å; R464-Q466 VanDerWaalsContact C-N 3.34Å; R464-E467 IonicContact CZ-OE2 3.42Å; R464-E467 IonicContact NH1-OE2 2.78Å; R464-E467 PolarHBondContact NH1-OE2 3.09Å; R464-E467 IonicContact NH2-OE2 3.9Å; R464-E467 PolarHBondContact O-N 3.44Å; R464-L468 HydrophobicContact CG-CD1 4.31Å; R464-L468 WeakPolarHBondContact O-CB 3.4Å; R464-L468 VanDerWaalsContact O-CG 3.27Å; R464-L468 WeakPolarHBondContact O-CG 3.48Å; R464-L468 PolarHBondContact O-N 3.1Å
465I86.3Confident78.7Confident89 Ų8972.6 Ų72.646%0.45640%0.404SS..Hα-helixtrans-65.3-37.4175.4-70164.2000111.3L451 S461 A462 W463 S469L451-I465 HydrophobicContact CD1-CD1 4.07Å; L451-I465 HydrophobicContact CD1-CG1 3.94Å; L451-I465 HydrophobicContact CD2-CD1 4.21Å; L451-I465 HydrophobicContact CD2-CG1 3.76Å; L451-I465 HydrophobicContact CG-CG1 4.48Å; S461-I465 WeakPolarHBondContact O-CB 3.49Å; S461-I465 WeakPolarHBondContact O-CD1 3.29Å; S461-I465 VanDerWaalsContact O-CG1 3.22Å; S461-I465 WeakPolarHBondContact O-CG1 3.38Å; S461-I465 PolarHBondContact O-N 3.49Å; A462-I465 PolarHBondContact O-N 3.04Å; W463-I465 VanDerWaalsContact C-N 3.34Å; W463-I465 PolarHBondContact O-N 3.3Å; I465-S469 WeakPolarHBondContact O-CB 3.48Å; I465-S469 PolarHBondContact O-N 3.44Å; I465-S469 PolarHBondContact O-OG 2.87Å
466Q85.6Confident76.9Confident127 Ų12781.2 Ų81.259%0.59346%0.463SS*.Hα-helixtrans-69.1-41.3176.7-73170.95.900111.8A462 W463 R464 S469 A470A462-Q466 VanDerWaalsContact O-CG 3.31Å; A462-Q466 WeakPolarHBondContact O-CG 3.36Å; A462-Q466 PolarHBondContact O-N 3.32Å; A462-Q466 VanDerWaalsContact O-N 3.1Å; W463-Q466 WeakPolarHBondContact O-CB 3.4Å; W463-Q466 PolarHBondContact O-N 2.71Å; R464-Q466 VanDerWaalsContact C-N 3.34Å; Q466-S469 PolarHBondContact O-OG 3.14Å; Q466-A470 VanDerWaalsContact O-CB 3.29Å; Q466-A470 WeakPolarHBondContact O-CB 3.43Å; Q466-A470 PolarHBondContact O-N 3.06Å
467E81.6Confident76.4Confident73 Ų7384.9 Ų84.934%0.34148%0.484SS..Hα-helixtrans-60.6-49.6174.2-176.9175.7-121.900111.1W463 R464 S469 A470 T471W463-E467 VanDerWaalsContact CH2-OE1 3.28Å; W463-E467 WeakPolarHBondContact CH2-OE1 3.3Å; W463-E467 PolarHBondContact O-N 2.96Å; R464-E467 IonicContact CZ-OE2 3.42Å; R464-E467 IonicContact NH1-OE2 2.78Å; R464-E467 PolarHBondContact NH1-OE2 3.09Å; R464-E467 IonicContact NH2-OE2 3.9Å; R464-E467 PolarHBondContact O-N 3.44Å; E467-S469 PolarHBondContact O-N 3.24Å; E467-A470 PolarHBondContact O-N 3.33Å; E467-T471 PolarHBondContact O-N 3.43Å; E467-T471 VanDerWaalsContact O-N 3.07Å; E467-T471 PolarHBondContact O-OG1 2.87Å
468L79.4Confident75.8Confident64 Ų6488.7 Ų88.734%0.33551%0.505SS..Hα-helixtrans-65.3-36.8179.8-68.9168.5000113.4R464 T471 V472R464-L468 HydrophobicContact CG-CD1 4.31Å; R464-L468 WeakPolarHBondContact O-CB 3.4Å; R464-L468 VanDerWaalsContact O-CG 3.27Å; R464-L468 WeakPolarHBondContact O-CG 3.48Å; R464-L468 PolarHBondContact O-N 3.1Å; L468-T471 PolarHBondContact O-OG1 3.43Å; L468-T471 VanDerWaalsContact O-OG1 3.07Å; L468-V472 VanDerWaalsContact O-CG2 3.3Å; L468-V472 WeakPolarHBondContact O-CG2 3.31Å; L468-V472 PolarHBondContact O-N 3.4Å
469S79.6Confident75.2Confident64 Ų6487.5 Ų87.545%0.44851%0.506SS..Hα-helixtrans-76.7-28.4176.9510000113.3I465 Q466 E467 T473I465-S469 WeakPolarHBondContact O-CB 3.48Å; I465-S469 PolarHBondContact O-N 3.44Å; I465-S469 PolarHBondContact O-OG 2.87Å; Q466-S469 PolarHBondContact O-OG 3.14Å; E467-S469 PolarHBondContact O-N 3.24Å; S469-T473 WeakPolarHBondContact O-CG2 3.18Å; S469-T473 PolarHBondContact O-N 3.38Å; S469-T473 PolarHBondContact O-OG1 3.26Å
470A75Confident74.6Confident53 Ų5388.5 Ų88.544%0.43850%0.502SS..Hα-helixtrans-67.6-40.9170.100000112.3Q466 E467 T473 T474Q466-A470 VanDerWaalsContact O-CB 3.29Å; Q466-A470 WeakPolarHBondContact O-CB 3.43Å; Q466-A470 PolarHBondContact O-N 3.06Å; E467-A470 PolarHBondContact O-N 3.33Å; A470-T473 PolarHBondContact O-N 2.72Å; A470-T473 PolarHBondContact O-OG1 2.95Å; A470-T473 VanDerWaalsContact O-OG1 3.13Å; A470-T474 PolarHBondContact O-OG1 3.37Å
471T66Low73.7Confident81 Ų8193.1 Ų93.150%0.49753%0.527SS..Hα-helixtrans-70.8-35.7178.451.60000112.9E467 L468 T473 T474E467-T471 PolarHBondContact O-N 3.43Å; E467-T471 VanDerWaalsContact O-N 3.07Å; E467-T471 PolarHBondContact O-OG1 2.87Å; L468-T471 PolarHBondContact O-OG1 3.43Å; L468-T471 VanDerWaalsContact O-OG1 3.07Å; T471-T473 VanDerWaalsContact C-N 3.26Å; T471-T473 PolarHBondContact O-N 2.94Å; T471-T474 PolarHBondContact O-N 3.22Å; T471-T474 PolarHBondContact O-OG1 2.58Å
472V63.2Low72.9Confident111 Ų11198.9 Ų98.967%0.67356%0.559SS**Hα-helixtrans-67.8-21.7175169.90000113.1L468L468-V472 VanDerWaalsContact O-CG2 3.3Å; L468-V472 WeakPolarHBondContact O-CG2 3.31Å; L468-V472 PolarHBondContact O-N 3.4Å
473T61.1Low71.8Confident107 Ų107102.9 Ų102.966%0.65657%0.574SS**THydrogen-bonded Turntrans-94.25.5-179.7450000114.4S469 A470 T471S469-T473 WeakPolarHBondContact O-CG2 3.18Å; S469-T473 PolarHBondContact O-N 3.38Å; S469-T473 PolarHBondContact O-OG1 3.26Å; A470-T473 PolarHBondContact O-N 2.72Å; A470-T473 PolarHBondContact O-OG1 2.95Å; A470-T473 VanDerWaalsContact O-OG1 3.13Å; T471-T473 VanDerWaalsContact C-N 3.26Å; T471-T473 PolarHBondContact O-N 2.94Å
474T59Low70.8Confident114 Ų114100.7 Ų100.770%0.69958%0.58SS**SBendtrans-115.37.3-177.945.40000115.6A470 T471A470-T474 PolarHBondContact O-OG1 3.37Å; T471-T474 PolarHBondContact O-N 3.22Å; T471-T474 PolarHBondContact O-OG1 2.58Å
475D51.5Low69.6Low152 Ų152101.7 Ų101.781%0.81360%0.6SS**  trans-114.138.3-178.2-156.5-132.4000112.2
476C46.6Very low68.1Low185 Ų185102.8 Ų102.8100%1.2561%0.613SS**  trans-128.60-174.2-69.30000112.5

Retrieved 476 of 476 residues in 60.7 ms (Link to these results)