A0A096NA91_PAPAN Loading...

Zinc finger CCCH-type containing 8

AlphaFold DB , UniProt , Accession A0A096NA91, Species PAPAN (Papio anubis, Olive baboon), Gene ZC3H8, Length 295 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
1M43.5Very low53.8Low225 Ų225162.6 Ų162.6100%1.10884%0.835SS**  0105.40-69.3172.8-177.300106.4
2D47.3Very low53.6Low141 Ų141161.8 Ų161.875%0.75483%0.834SS**  cis-147.3155.91.4-70.3-61.1000110.4
3F44.6Very low53.9Low212 Ų212158.2 Ų158.293%0.9383%0.827SS**  trans-112.582.7-176.5-159.8-87.9000109.6N5F3-N5 PolarHBondContact O-N 3.4Å
4E63.5Low53.1Low173 Ų173152.6 Ų152.681%0.80882%0.815SS**  trans-81.999.9-172.6-67.3-163.9136.300113.5
5N55.6Low52.7Low130 Ų130154.7 Ų154.770%0.69583%0.825SS**  53.479.8122.3-15917.5000118.5F3F3-N5 PolarHBondContact O-N 3.4Å
6L60Low51.8Low172 Ų172149.8 Ų149.890%0.90182%0.822SS**  trans-109.432.9169.9-82.6173.4000114.4
7F51.7Low51.7Low198 Ų198153.1 Ų153.187%0.86883%0.827SS**  trans-110.6100.9166.1-79.4-76.8000110.9
8S49Very low50.8Low98 Ų98152.8 Ų152.869%0.68583%0.831SS**  trans-143.1126.2171.7-86.70000111.5
9K60.2Low50.4Low195 Ų195149.9 Ų149.985%0.84883%0.83SS**  trans89103.3167.7-54.5152.3-174.6176.10116.6
10P59.5Low49.8Very low120 Ų120149.9 Ų149.978%0.77983%0.834SS**  trans-75148.2147.533.5-32.4000110.1
11P56.9Low49.2Very low125 Ų125149.8 Ų149.881%0.81283%0.832SS**  trans-79.1139.6170.232.4-32.4000110.8
12N51.9Low49.1Very low153 Ų153144.1 Ų144.182%0.81881%0.814SS**  trans-133.9115175.7-159.111000109.1
13P57.2Low48.9Very low114 Ų114144.1 Ų144.174%0.7482%0.815SS**  trans-124.3109.915632.3-18.3000109
14A42.4Very low48.8Very low81 Ų81143 Ų14367%0.66981%0.812SS**  72.1140.658.500000114.5
15L47.1Very low48Very low184 Ų184144.5 Ų144.596%0.96381%0.81SS**  trans79.7134.7179.3-45.7179.7000115
16G38.9Very low47.5Very low75 Ų75145.6 Ų145.677%0.77382%0.815SS**  cis-156.61701.600000112.6
17K49.3Very low46.8Very low207 Ų207143.9 Ų143.990%0.981%0.807SS**  trans-121.5143.2-173.2-39.1166.6-173.9176.10109.7
18T36.1Very low46.6Very low147 Ų147141.4 Ų141.490%0.90280%0.803SS**  trans-148.3136.2147.541.30000108.8
19A42.8Very low46.7Very low98 Ų98145.5 Ų145.581%0.8181%0.811SS**  trans-99.4152.6175.900000110.4
20T38.8Very low46.3Very low150 Ų150143.8 Ų143.892%0.9281%0.809SS**  trans-141.6150.1153.736.60000109.1
21D37.2Very low45.4Very low147 Ų147144.3 Ų144.379%0.78681%0.806SS**  trans-99.8177.7-173.5-178.5-88.4000110.6
22S41.6Very low44.4Very low106 Ų106145.9 Ų145.974%0.74181%0.807SS**  trans104129.1153.9-50.40000119
23D43.2Very low44.1Very low142 Ų142142.9 Ų142.976%0.75980%0.803SS**  trans-41.2152.6166.9-99.5-89000116.1
24E41.3Very low43.3Very low188 Ų188146.3 Ų146.388%0.87981%0.809SS**  -171.9155.592.8-94-166.7149.700112.7
25R47.3Very low43.2Very low204 Ų204148.2 Ų148.277%0.7781%0.813SS**  trans-78.1141.9167.5-69179.9175.786.9-3.9110.2
26I46.3Very low42.9Very low153 Ų153147.1 Ų147.179%0.78580%0.802SS**  trans-134.8119139.4-61.3-175.9000107.5
27D44Very low43.1Very low137 Ų137151.1 Ų151.173%0.73380%0.801SS**  trans-79.9133.8161.9-63.9-82.8000108.1
28D46.8Very low42.3Very low146 Ų146147.3 Ų147.378%0.78179%0.789SS**  trans-145.2106.1158.8-96.2-49.1000109.4
29E52.6Low42.4Very low184 Ų184148.8 Ų148.886%0.8679%0.786SS**  trans-89.8111172.8173.5-179.6-154.900107.7
30I52Low42.3Very low158 Ų158152.7 Ų152.781%0.8179%0.787SS**  trans-131.5129.4165.1-63.7-175.1000109.2
31D40Very low42.3Very low132 Ų132154.9 Ų154.971%0.70679%0.787SS**  trans-86.1-174.2-170.9-127.4-37000113.2
32D35.2Very low42.1Very low158 Ų158155.8 Ų155.885%0.84578%0.784SS**  trans88.2149.3155.9-69.7-50.5000120.7
33A45.8Very low41.9Very low89 Ų89158.9 Ų158.974%0.73679%0.791SS**  trans-114.7-159.8-156.700000113.2
34E39.8Very low41.4Very low186 Ų186159.9 Ų159.987%0.86979%0.788SS**  trans78.5142.6179.6-55.3-159.1162.800114.9
35V40.5Very low40.9Very low122 Ų122157.3 Ų157.374%0.73978%0.78SS**  cis-158.1161.3-2.6112.20000111.9
36E42.3Very low40.1Very low160 Ų160155.4 Ų155.475%0.74878%0.78SS**  trans-4.5160163.6-64.5-66.2156.200125.5
37E41.7Very low39.9Very low160 Ų160155.4 Ų155.475%0.74878%0.776SS**  trans67.2144.6146.6-90.7-153.112400120.2
38I34.1Very low39.3Very low126 Ų126157.2 Ų157.265%0.64678%0.78SS**  cis-143.3162.5-11-7152.9000106.6
39Q38.3Very low38.9Very low179 Ų179157.9 Ų157.984%0.83678%0.779SS**  -174.1145.479.6-84.7-177.19.900112.2
40E39.5Very low38.3Very low180 Ų180157 Ų15784%0.84178%0.778SS**  trans-77.3145.9172-49.2176.6120.400111.8
41E38.4Very low37.6Very low196 Ų196154.4 Ų154.492%0.91677%0.771SS**  trans-135.4150.4142.1-139.5-165.5155.200111.9
42K34.1Very low37.7Very low165 Ų165158.2 Ų158.272%0.71778%0.781SS**  trans-13597.1-147174.2-171.3-174.1171.70109.6
43I36Very low37.9Very low172 Ų172159.9 Ų159.988%0.88278%0.781SS**  trans-100.8109.6170.7-55.8-178.3000108.8
44K33.3Very low37Very low162 Ų162163.6 Ų163.670%0.70478%0.781SS**  trans-112.8166175.1-166.8179.6-178.4-177.40107.9
45L31.2Very low36.7Very low134 Ų134165.9 Ų165.970%0.70278%0.782SS**  trans79.4140.5176.1-51.1123.8000112.9
46E29.5Very low36.2Very low164 Ų164166.9 Ų166.977%0.76678%0.778SS**  cis-150.6158.21.5-136.1158.5-169.200114.1
47H42Very low35.7Very low153 Ų153169.2 Ų169.271%0.70879%0.786SS**  trans-92.9109.5172.9158.7-68000108.6
48E32.7Very low35.1Very low176 Ų176164.6 Ų164.682%0.82278%0.782SS**  trans-109.1133.8175.6-87.5-101.393.600111.7
49Q37.5Very low34.9Very low160 Ų160166.3 Ų166.375%0.74879%0.792SS**PPolyproline II helixtrans-90.7122.7-172.6-61.6170.520.800110.7P51Q49-P51 WeakPolarHBondContact O-CD 3.25Å
50I39.9Very low34.6Very low166 Ų166164 Ų16485%0.85180%0.796SS**PPolyproline II helixtrans-79.3122.9174.3-57.4179.3000109.8
51P38.2Very low34.1Very low102 Ų102160 Ų16066%0.66279%0.793SS**PPolyproline II helixtrans-80.3134.4-166.329.4-35.7000114.4Q49 K53Q49-P51 WeakPolarHBondContact O-CD 3.25Å; P51-K53 PolarHBondContact O-N 2.79Å
52K41.9Very low33.9Very low212 Ų212157.3 Ų157.392%0.92279%0.79SS**  trans-68.4109.5170.3-66.6173.2-178.9171.60110.6F54K52-F54 PolarHBondContact O-N 3.23Å
53K38.3Very low34.1Very low194 Ų194154.4 Ų154.484%0.84379%0.791SS**  trans-87.4102.5170.6-77.8-177.5179.4171.70111.5P51P51-K53 PolarHBondContact O-N 2.79Å
54F28.5Very low34.4Very low166 Ų166152.2 Ų152.273%0.72879%0.788SS**  trans-73.3127.2169.7-157-117.2000109.6K52 H56K52-F54 PolarHBondContact O-N 3.23Å; F54-H56 AromaticContact CE1-CD2 3.37Å; F54-H56 WeakPolarHBondContact CE1-CD2 3.38Å; F54-H56 AromaticContact CE1-CE1 3.8Å; F54-H56 AromaticContact CE1-CG 3.99Å; F54-H56 AromaticContact CE1-NE2 3.25Å; F54-H56 VanDerWaalsContact CE1-NE2 3.25Å; F54-H56 WeakPolarHBondContact CE1-NE2 3.37Å; F54-H56 AromaticContact CZ-CD2 3.98Å; F54-H56 AromaticContact CZ-CE1 3.6Å; F54-H56 AromaticContact CZ-NE2 3.38Å; F54-H56 WeakPolarHBondContact CZ-NE2 3.49Å
55R33.6Very low34.6Very low235 Ų235154.3 Ų154.389%0.88780%0.797SS**  trans-127.8113.5160.9-76.7-160.6-176.7-158.64.8109.3
56H30.3Very low34.6Very low143 Ų143153.5 Ų153.566%0.66280%0.802SS**  trans-85.6132.4158.7-80.4-43.1000109.3F54F54-H56 AromaticContact CE1-CD2 3.37Å; F54-H56 WeakPolarHBondContact CE1-CD2 3.38Å; F54-H56 AromaticContact CE1-CE1 3.8Å; F54-H56 AromaticContact CE1-CG 3.99Å; F54-H56 AromaticContact CE1-NE2 3.25Å; F54-H56 VanDerWaalsContact CE1-NE2 3.25Å; F54-H56 WeakPolarHBondContact CE1-NE2 3.37Å; F54-H56 AromaticContact CZ-CD2 3.98Å; F54-H56 AromaticContact CZ-CE1 3.6Å; F54-H56 AromaticContact CZ-NE2 3.38Å; F54-H56 WeakPolarHBondContact CZ-NE2 3.49Å
57F30.1Very low34.8Very low208 Ų208150.8 Ų150.891%0.91280%0.801SS**  trans-136139.9140.1-97.4-82.6000107.6
58G29.2Very low34.5Very low64 Ų64151 Ų15166%0.6681%0.807SS**  trans-99.7159.2-163.100000115.3
59N29.7Very low34.5Very low161 Ų161149.6 Ų149.686%0.86180%0.8SS**  trans38.3121.3141.4-55.4-2.7000119.6
60S32.2Very low34.6Very low131 Ų131152.5 Ų152.592%0.91680%0.804SS**  -141.8132.7126-80.40000109.7
61A29.8Very low34.4Very low95 Ų95152.9 Ų152.979%0.78580%0.8SS**  trans-112.8132.9-179.400000109.6
62V33.7Very low34.4Very low141 Ų141153.4 Ų153.486%0.85581%0.806SS**  trans-138.4113.7160.3-177.40000107.8
63S39.4Very low34.8Very low104 Ų104154.9 Ų154.973%0.72781%0.806SS**  trans-87.1163160.5-53.50000109.4
64P41.3Very low35.2Very low126 Ų126150.1 Ų150.182%0.81880%0.797SS**  -123.2160.7116.633.6-29.8000113.8
65K36.8Very low36.5Very low205 Ų205151.2 Ų151.289%0.89180%0.801SS**  trans-76.8153176.5-57.4156.6-177.4170.80107.9
66S31.3Very low37Very low117 Ų117146.5 Ų146.582%0.81879%0.794SS**  -160.7150.384.551.80000114.4
67S34.6Very low37.4Very low107 Ų107149.9 Ų149.975%0.74880%0.802SS**  trans-81.8166.1169.251.50000113.4
68L35.3Very low38.6Very low159 Ų159147.4 Ų147.483%0.83280%0.798SS**  trans101.9146.7171.8-59.4178.4000114.1
69H31.9Very low39.4Very low145 Ų145150.5 Ų150.567%0.67180%0.804SS**  cis-119.2-156.3-5.9-164.360.2000110.7K71H69-K71 PolarHBondContact NE2-NZ 3.38Å
70R40.9Very low40.2Very low221 Ų221152.7 Ų152.783%0.83480%0.802SS**  trans-139.9132.4171.7-172.9-168.7-160.2-174.87.5107
71K34.4Very low40.8Very low174 Ų174152.1 Ų152.176%0.75780%0.798SS**  trans130.8153.4178.5-76.6148.5-158.61630108.8H69H69-K71 PolarHBondContact NE2-NZ 3.38Å
72S39.6Very low41.7Very low114 Ų114153.9 Ų153.980%0.79779%0.794SS**  cis-162.4171.7-22.1-96.10000108
73R50.4Low42.4Very low243 Ų243153.9 Ų153.992%0.91779%0.789SS**  trans-91.9115.1-169.8174.3-174.4179.9176.5-0.2113.6
74S47.1Very low42.7Very low93 Ų93157 Ų15765%0.6580%0.797SS**  trans-150.8135.7148.253.80000105.2
75K55.7Low42.9Very low189 Ų189157 Ų15782%0.82280%0.796SS**  cis69.660.920.6-159.8154.3-171.4170.90115.4
76D43.1Very low43Very low137 Ų137152.8 Ų152.873%0.73379%0.791SS**  trans-120.4152.8152.7-62-73.3000107.4
77Y39.8Very low43.8Very low213 Ų213150.3 Ų150.384%0.83578%0.783SS**  trans-12895.4-159.5-171.5-80.2000108.7
78D54.9Low44.6Very low157 Ų157154.2 Ų154.284%0.8479%0.79SS**PPolyproline II helixtrans-92.8135.1-178-75.4-49.8000112.9
79V46.2Very low45.1Very low129 Ų129155.4 Ų155.478%0.78279%0.791SS**PPolyproline II helixtrans-55.7142.4-169.5176.40000113.4S81V79-S81 PolarHBondContact O-N 3.03Å
80Y45.1Very low46.5Very low207 Ų207151.7 Ų151.781%0.81278%0.781SS**PPolyproline II helixtrans-50.7130170.1-106.4-103.9000112.1D82Y80-D82 HydrophobicContact CD1-CB 4.23Å
81S45.1Very low47.3Very low118 Ų118149.6 Ų149.683%0.82578%0.781SS**  trans-119.798.5153.2-170.90000107.7V79 N83V79-S81 PolarHBondContact O-N 3.03Å; S81-N83 PolarHBondContact O-N 3.1Å
82D49.6Very low48.8Very low133 Ų133146.1 Ų146.171%0.71177%0.771SS**  trans-87.993.6178.8-170.116.7000109.2Y80Y80-D82 HydrophobicContact CD1-CB 4.23Å
83N48.6Very low50.8Low140 Ų140145.9 Ų145.975%0.74976%0.76SS**  trans16997.5154.2-92.7-34.7000109.6S81S81-N83 PolarHBondContact O-N 3.1Å
84D45.6Very low52.4Low169 Ų169141.3 Ų141.390%0.90475%0.747SS**  trans-134.6102.4148.9-98.8-44.9000109
85T44.3Very low54.4Low127 Ų127139.1 Ų139.178%0.77974%0.735SS**  trans-32.1133.1173-47.90000113.3G87T85-G87 PolarHBondContact O-N 2.96Å
86C39.5Very low55.9Low117 Ų117136.4 Ų136.479%0.79172%0.723SS**  trans-52.3107.1166.1177.80000109.6Q88C86-Q88 PolarHBondContact O-N 2.99Å; C86-Q88 VanDerWaalsContact O-N 3.08Å
87G49.2Very low58.2Low64 Ų64136 Ų13666%0.6672%0.717SS**  trans-64.3110.317400000109T85 E89T85-G87 PolarHBondContact O-N 2.96Å; G87-E89 VanDerWaalsContact C-N 3.33Å; G87-E89 PolarHBondContact O-N 2.96Å
88Q49.7Very low60.7Low190 Ų190129.9 Ų129.989%0.88870%0.698SS**  trans-63.198.5164.9-74.1179.5-87.200108.2C86 S90C86-Q88 PolarHBondContact O-N 2.99Å; C86-Q88 VanDerWaalsContact O-N 3.08Å; Q88-S90 VanDerWaalsContact C-N 3.3Å; Q88-S90 PolarHBondContact O-N 3.02Å
89E46.3Very low62.4Low184 Ų184129 Ų12986%0.8669%0.689SS**  trans-62.899.9156.3-65.2-174.1179.900106.3G87 E91G87-E89 VanDerWaalsContact C-N 3.33Å; G87-E89 PolarHBondContact O-N 2.96Å; E89-E91 PolarHBondContact O-N 2.8Å
90S62.4Low64.6Low66 Ų66129.6 Ų129.646%0.46268%0.683SS.*  trans-59.5122.7-176.757.40000109.3Q88 D92 N93Q88-S90 VanDerWaalsContact C-N 3.3Å; Q88-S90 PolarHBondContact O-N 3.02Å; S90-D92 PolarHBondContact O-N 2.84Å; S90-N93 PolarHBondContact O-N 3.31Å
91E57Low66.8Low177 Ų177126.8 Ų126.883%0.82767%0.673SS**THydrogen-bonded Turntrans-53.1-23.9-177.7-60177.1162.600112.5E89 N93 F94 A95E89-E91 PolarHBondContact O-N 2.8Å; E91-N93 PolarHBondContact O-N 3.04Å; E91-N93 VanDerWaalsContact O-N 3.16Å; E91-F94 PolarHBondContact O-N 3.23Å; E91-A95 PolarHBondContact O-N 3.35Å
92D64.8Low69.1Low101 Ų101124.9 Ų124.954%0.5465%0.652SS.*Hα-helixtrans-49.2-26.5167.2-77.6-46.8000116.4S90 K96S90-D92 PolarHBondContact O-N 2.84Å; D92-K96 WeakPolarHBondContact O-CD 3.44Å; D92-K96 WeakPolarHBondContact O-CE 3.19Å; D92-K96 WeakPolarHBondContact O-CG 3.45Å
93N82.3Confident71.2Confident109 Ų109124.3 Ų124.358%0.58365%0.645SS**Hα-helixtrans-79.6-51.4-178.2-160.8-17.7000110.7S90 E91 A95 K96 E97S90-N93 PolarHBondContact O-N 3.31Å; E91-N93 PolarHBondContact O-N 3.04Å; E91-N93 VanDerWaalsContact O-N 3.16Å; N93-A95 VanDerWaalsContact C-N 3.32Å; N93-A95 PolarHBondContact O-N 3.38Å; N93-K96 PolarHBondContact O-N 2.88Å; N93-K96 VanDerWaalsContact O-N 3.16Å; N93-E97 PolarHBondContact O-N 3.45Å
94F84.4Confident73.1Confident147 Ų147120.4 Ų120.465%0.64563%0.633SS**Hα-helixtrans-61.4-39.3177.3-175.8-101.1000112.5E91 K96 E97 L98E91-F94 PolarHBondContact O-N 3.23Å; F94-K96 VanDerWaalsContact C-N 3.33Å; F94-K96 PolarHBondContact O-N 3Å; F94-E97 PolarHBondContact O-N 3.45Å; F94-L98 WeakPolarHBondContact O-CB 3.39Å; F94-L98 PolarHBondContact O-N 3.09Å
95A89.2Confident75.2Confident48 Ų48119.6 Ų119.640%0.39762%0.617SS.*Hα-helixtrans-59.7-42.3175.500000112.3E91 N93 Q99E91-A95 PolarHBondContact O-N 3.35Å; N93-A95 VanDerWaalsContact C-N 3.32Å; N93-A95 PolarHBondContact O-N 3.38Å; A95-Q99 WeakPolarHBondContact O-CB 3.47Å; A95-Q99 PolarHBondContact O-N 3.3Å; A95-Q99 VanDerWaalsContact O-N 3.07Å
96K87.7Confident77.2Confident131 Ų131119.3 Ų119.357%0.5761%0.607SS**Hα-helixtrans-68.2-42.6178.7-70.7164.9-162.3158.70111.8D92 N93 F94 Q99 Q100D92-K96 WeakPolarHBondContact O-CD 3.44Å; D92-K96 WeakPolarHBondContact O-CE 3.19Å; D92-K96 WeakPolarHBondContact O-CG 3.45Å; N93-K96 PolarHBondContact O-N 2.88Å; N93-K96 VanDerWaalsContact O-N 3.16Å; F94-K96 VanDerWaalsContact C-N 3.33Å; F94-K96 PolarHBondContact O-N 3Å; K96-Q99 PolarHBondContact O-N 3.22Å; K96-Q100 WeakPolarHBondContact O-CB 3.38Å; K96-Q100 PolarHBondContact O-N 2.69Å
97E91.6Very high79Confident128 Ų128120.2 Ų120.260%0.59860%0.601SS**Hα-helixtrans-61.8-45.5176.7-172.3176.1-176.700111.7N93 F94 Q99 Q100 Y101N93-E97 PolarHBondContact O-N 3.45Å; F94-E97 PolarHBondContact O-N 3.45Å; E97-Q99 VanDerWaalsContact C-N 3.33Å; E97-Q99 PolarHBondContact O-N 2.95Å; E97-Q100 PolarHBondContact O-N 3.04Å; E97-Y101 PolarHBondContact O-N 2.8Å
98L90.4Very high80.4Confident85 Ų85120 Ų12045%0.44559%0.593SS.*Hα-helixtrans-61-41.8176.5-179.960.8000112F94 Y101 I102F94-L98 WeakPolarHBondContact O-CB 3.39Å; F94-L98 PolarHBondContact O-N 3.09Å; L98-Y101 PolarHBondContact O-N 3.24Å; L98-I102 HydrophobicContact CD1-CD1 4.41Å; L98-I102 HydrophobicContact CG-CD1 4.15Å; L98-I102 WeakPolarHBondContact O-CG1 3.05Å; L98-I102 PolarHBondContact O-N 2.86Å
99Q91.9Very high81.5Confident139 Ų139115.4 Ų115.465%0.6557%0.574SS**Hα-helixtrans-69.8-35.1-179.1-155.2151.720.100111.9A95 K96 E97 I102 Q103A95-Q99 WeakPolarHBondContact O-CB 3.47Å; A95-Q99 PolarHBondContact O-N 3.3Å; A95-Q99 VanDerWaalsContact O-N 3.07Å; K96-Q99 PolarHBondContact O-N 3.22Å; E97-Q99 VanDerWaalsContact C-N 3.33Å; E97-Q99 PolarHBondContact O-N 2.95Å; Q99-I102 PolarHBondContact O-N 3.2Å; Q99-Q103 PolarHBondContact O-N 2.79Å
100Q92.5Very high82.6Confident141 Ų141110.8 Ų110.866%0.65957%0.568SS**Hα-helixtrans-66.9-37.3173.1-155.1169.83700112K96 E97 A104K96-Q100 WeakPolarHBondContact O-CB 3.38Å; K96-Q100 PolarHBondContact O-N 2.69Å; E97-Q100 PolarHBondContact O-N 3.04Å; Q100-A104 WeakPolarHBondContact O-CB 3.44Å; Q100-A104 PolarHBondContact O-N 3.04Å
101Y91Very high82.4Confident149 Ų149111.2 Ų111.258%0.58458%0.576SS**Hα-helixtrans-65.7-42.8173.1178.3-97000112.9E97 L98 A104 R105E97-Y101 PolarHBondContact O-N 2.8Å; L98-Y101 PolarHBondContact O-N 3.24Å; Y101-A104 PolarHBondContact O-N 3.37Å; Y101-R105 WeakPolarHBondContact O-CB 3.24Å; Y101-R105 PolarHBondContact O-N 3.25Å
102I93.9Very high82Confident78 Ų78109.5 Ų109.540%0.457%0.568SS.*Hα-helixtrans-60.2-49.4175.9-68.5163.6000110.1L98 Q99 A104 R105 E106L98-I102 HydrophobicContact CD1-CD1 4.41Å; L98-I102 HydrophobicContact CG-CD1 4.15Å; L98-I102 WeakPolarHBondContact O-CG1 3.05Å; L98-I102 PolarHBondContact O-N 2.86Å; Q99-I102 PolarHBondContact O-N 3.2Å; I102-A104 PolarHBondContact O-N 3.26Å; I102-R105 WeakPolarHBondContact O-CB 3.31Å; I102-R105 PolarHBondContact O-N 3.32Å; I102-R105 VanDerWaalsContact O-N 3.13Å; I102-E106 HydrophobicContact CG2-CG 4.45Å; I102-E106 WeakPolarHBondContact O-CG 2.96Å; I102-E106 PolarHBondContact O-N 3.26Å
103Q92.6Very high80.9Confident120 Ų120110 Ų11056%0.56158%0.576SS**Hα-helixtrans-59.7-44.6179.4-172.3176.334.800112.3Q99 R105 E106 M107Q99-Q103 PolarHBondContact O-N 2.79Å; Q103-R105 VanDerWaalsContact C-N 3.29Å; Q103-R105 PolarHBondContact O-N 2.86Å; Q103-E106 PolarHBondContact O-N 3.25Å; Q103-M107 HydrophobicContact CG-SD 4.49Å; Q103-M107 WeakPolarHBondContact O-CG 3.36Å; Q103-M107 PolarHBondContact O-N 3.14Å
104A89.4Confident79.1Confident59 Ų59113.5 Ų113.549%0.48859%0.589SS.*Hα-helixtrans-62-37.5176.800000112.4Q100 Y101 I102 A108Q100-A104 WeakPolarHBondContact O-CB 3.44Å; Q100-A104 PolarHBondContact O-N 3.04Å; Y101-A104 PolarHBondContact O-N 3.37Å; I102-A104 PolarHBondContact O-N 3.26Å; A104-A108 WeakPolarHBondContact O-CB 3.28Å; A104-A108 PolarHBondContact O-N 2.92Å; A104-A108 VanDerWaalsContact O-N 3.08Å
105R89.1Confident76.7Confident152 Ų152115.5 Ų115.557%0.57460%0.6SS**Hα-helixtrans-69.8-40176.7-174.1177.4179.8-170.3-2.5112.3Y101 I102 Q103 A108 N109Y101-R105 WeakPolarHBondContact O-CB 3.24Å; Y101-R105 PolarHBondContact O-N 3.25Å; I102-R105 WeakPolarHBondContact O-CB 3.31Å; I102-R105 PolarHBondContact O-N 3.32Å; I102-R105 VanDerWaalsContact O-N 3.13Å; Q103-R105 VanDerWaalsContact C-N 3.29Å; Q103-R105 PolarHBondContact O-N 2.86Å; R105-A108 PolarHBondContact O-N 3.03Å; R105-N109 VanDerWaalsContact O-CG 3.27Å; R105-N109 PolarHBondContact O-N 3.35Å; R105-N109 PolarHBondContact O-ND2 3.47Å
106E86.9Confident74Confident121 Ų121117.6 Ų117.657%0.56561%0.612SS**Hα-helixtrans-63.7-43.9175.3-73.2175.4171.100111.6I102 Q103 A108 N109 A110I102-E106 HydrophobicContact CG2-CG 4.45Å; I102-E106 WeakPolarHBondContact O-CG 2.96Å; I102-E106 PolarHBondContact O-N 3.26Å; Q103-E106 PolarHBondContact O-N 3.25Å; E106-A108 VanDerWaalsContact C-N 3.32Å; E106-A108 PolarHBondContact O-N 2.97Å; E106-N109 PolarHBondContact O-N 3.34Å; E106-A110 WeakPolarHBondContact O-CB 3.3Å; E106-A110 PolarHBondContact O-N 3.13Å
107M77.3Confident71.4Confident135 Ų135118.3 Ų118.367%0.66563%0.627SS**Hα-helixtrans-61.9-37.4174.1-68.2-179.971.900112.6Q103 A111Q103-M107 HydrophobicContact CG-SD 4.49Å; Q103-M107 WeakPolarHBondContact O-CG 3.36Å; Q103-M107 PolarHBondContact O-N 3.14Å; M107-A111 PolarHBondContact O-N 3.42Å
108A77.8Confident68.9Low59 Ų59121.5 Ų121.549%0.48864%0.639SS.*Hα-helixtrans-69.3-32.1175.400000113.2A104 R105 E106A104-A108 WeakPolarHBondContact O-CB 3.28Å; A104-A108 PolarHBondContact O-N 2.92Å; A104-A108 VanDerWaalsContact O-N 3.08Å; R105-A108 PolarHBondContact O-N 3.03Å; E106-A108 VanDerWaalsContact C-N 3.32Å; E106-A108 PolarHBondContact O-N 2.97Å
109N73.3Confident66.3Low94 Ų94125.3 Ų125.350%0.50365%0.652SS.*Hα-helixtrans-76.7-38.6175-68.9-32.6000112R105 E106 A111 Q112R105-N109 VanDerWaalsContact O-CG 3.27Å; R105-N109 PolarHBondContact O-N 3.35Å; R105-N109 PolarHBondContact O-ND2 3.47Å; E106-N109 PolarHBondContact O-N 3.34Å; N109-A111 PolarHBondContact O-N 2.92Å; N109-Q112 WeakPolarHBondContact O-CB 3.41Å; N109-Q112 PolarHBondContact O-N 2.84Å
110A68.1Low63.5Low87 Ų87126.7 Ų126.772%0.71966%0.659SS**Hα-helixtrans-66.6-14.9176.100000113.6E106 Q112E106-A110 WeakPolarHBondContact O-CB 3.3Å; E106-A110 PolarHBondContact O-N 3.13Å; A110-Q112 VanDerWaalsContact C-N 3.33Å
111A59.3Low60.4Low76 Ų76123.2 Ų123.263%0.62866%0.661SS**THydrogen-bonded Turntrans-84.5-1.6171.400000113.8M107 N109M107-A111 PolarHBondContact O-N 3.42Å; N109-A111 PolarHBondContact O-N 2.92Å
112Q47.6Very low57.6Low141 Ų141122.7 Ų122.766%0.65967%0.673SS**SBendtrans-88.2122168.1-61.1-62.6-31.400109.2N109 A110 E114N109-Q112 WeakPolarHBondContact O-CB 3.41Å; N109-Q112 PolarHBondContact O-N 2.84Å; A110-Q112 VanDerWaalsContact C-N 3.33Å; Q112-E114 PolarHBondContact O-N 3.48Å
113P43Very low54.9Low110 Ų110127.4 Ų127.471%0.71469%0.69SS**  trans-69.6132.6175.927.7-32.6000111.3E115P113-E115 PolarHBondContact O-N 3.06Å
114E43.9Very low51.9Low184 Ų184128.7 Ų128.786%0.8670%0.701SS**  trans-57.395.3167.4-71.4-81.4163.500110.8Q112 S116Q112-E114 PolarHBondContact O-N 3.48Å; E114-S116 PolarHBondContact O-N 3.44Å
115E33.2Very low49.2Very low189 Ų189131.9 Ų131.988%0.88372%0.715SS**  trans-96.689.4171.3-165.1172.3-174.600110.9P113P113-E115 PolarHBondContact O-N 3.06Å
116S33.3Very low46.9Very low92 Ų92130.6 Ų130.664%0.64373%0.726SS**  trans-118.4106.1164.863.80000110.9E114E114-S116 PolarHBondContact O-N 3.44Å
117T33.2Very low44.1Very low145 Ų145133.7 Ų133.789%0.8974%0.741SS**  trans-175.1154.2135.418.80000111.8
118K38.8Very low41.6Very low196 Ų196131.8 Ų131.885%0.85275%0.747SS**  trans-100.1137.1179.1-57.4169.4179.41720109.9
119K36.6Very low39.3Very low165 Ų165133.5 Ų133.572%0.71776%0.761SS**  143134121.4-83.1-169.8160.7-129.70115.7
120E32.2Very low37.4Very low167 Ų167138.3 Ų138.378%0.7878%0.777SS**  trans60.7125.6139.5-66.5166.8-161.400120.7
121G28.5Very low36.1Very low69 Ų69142.3 Ų142.371%0.71178%0.781SS**  trans149.677.7146.100000120.3
122V32.3Very low35Very low137 Ų137147.3 Ų147.383%0.8379%0.789SS**  trans70.1132.6143.7-173.20000120.9
123K36.1Very low34.4Very low177 Ų177148.2 Ų148.277%0.7780%0.798SS**  trans-14.1147.8157.2-45.5174.1180175.30117.4
124D30.1Very low34.5Very low148 Ų148153.2 Ų153.279%0.79181%0.808SS**  -165.6166.462-93.7-55.3000113.6
125T33.5Very low34Very low126 Ų126151.2 Ų151.277%0.77380%0.804SS**  trans-93147.9170.9-31.90000110.5
126P38.8Very low34.3Very low124 Ų124150.4 Ų150.481%0.80581%0.805SS**  -144.1175.3113.835.1-18.9000116.3
127Q28.7Very low34.2Very low186 Ų186155.7 Ų155.787%0.86982%0.816SS**  trans-78.1162.9-162.8-54.2170.8-18.800117.4
128A25.7Very low34.1Very low96 Ų96153.2 Ų153.279%0.79381%0.81SS**  trans74.2120.5132.700000123.1
129A29.7Very low33.7Very low95 Ų95147.1 Ų147.179%0.78580%0.803SS**  -168.5112.3122.200000110.2
130K32.8Very low33.7Very low195 Ų195148.7 Ų148.785%0.84881%0.812SS**  49.5114.295.7-90-178.9178.4168.80116.2
131Q41Very low34.1Very low170 Ų170149.5 Ų149.579%0.79481%0.813SS**  163.1149.5125.9-89.9179.976.300110.5
132K35Very low34.4Very low182 Ų182154.1 Ų154.179%0.79182%0.822SS**  cis-162.3143.2-23.1-126.2176.4-168.8171.80108
133N35.9Very low34.4Very low159 Ų159150.8 Ų150.885%0.8582%0.815SS**  trans-66.3150.7173.4-67.3-51.4000112.4
134K44.4Very low34.6Very low215 Ų215152.8 Ų152.894%0.93582%0.824SS**  trans-128.9130.3149.9-74.7-172-179.9178.10109.5
135N33.1Very low35.1Very low143 Ų143153.9 Ų153.977%0.76582%0.824SS**  trans-137.4131.8-173.9-165.40.5000106.7
136L39.5Very low35.4Very low172 Ų172156.5 Ų156.590%0.90183%0.825SS**  trans-135.1130.5172.2-76177.9000110.2
137K32.3Very low35.5Very low202 Ų202159.4 Ų159.488%0.87883%0.825SS**  trans-79.1-178.7170.4-53.8175.8175.3175.70108.6
138A31.7Very low36Very low93 Ų93159.2 Ų159.277%0.76983%0.826SS**  cis-165.6164.91700000112.1
139G30.3Very low36.7Very low68 Ų68163 Ų16370%0.70183%0.825SS**  trans76.9154.5155.800000116.5
140H37Very low37.3Very low199 Ų199170.2 Ų170.292%0.92183%0.831SS**  cis-138.3172.611.1-101.1-102.1000113.2
141K39.2Very low37.5Very low184 Ų184169.5 Ų169.580%0.883%0.828SS**  trans-86.7156.3-172.9-54.8168.8-176.8174.30112.6
142N34.8Very low37.6Very low166 Ų166172.6 Ų172.689%0.88883%0.833SS**  trans155.9132.9136.3-76.6-18.3000108.7
143G33Very low37.8Very low67 Ų67169.9 Ų169.969%0.69183%0.834SS**  cis111.882.26.500000112.3
144K40.8Very low37.7Very low218 Ų218165.8 Ų165.895%0.94883%0.829SS**  trans-168.7154.4151.2-105.8154.5-168.2-179.90112.7
145Q40.5Very low37.4Very low171 Ų171162.5 Ų162.580%0.79983%0.827SS**  trans-110.9154.3-171.6-54.5164.9-23.900110.5
146K39.4Very low37.3Very low182 Ų182158.9 Ų158.979%0.79182%0.824SS**  166.4134.2111.7-93.5173.9-179.5175.40113.8
147K39.9Very low37.4Very low184 Ų184159 Ų15980%0.883%0.825SS**  trans13.7133138.9-56.2179.3178-178.50118
148M39.9Very low37.7Very low183 Ų183159.2 Ų159.290%0.90183%0.826SS**  -148.1142.1103.5-88.8-45.7170.100112.9
149K40.3Very low37.7Very low176 Ų176158 Ų15877%0.76582%0.822SS**  trans-110.4128.8175.4168.5179.1-177.9169.40106.9
150R42.3Very low38.1Very low245 Ų245160.6 Ų160.693%0.92583%0.83SS**  trans-116.5119.7166.9-62.3-166.794.8153.13.2109.8
151K37.9Very low38.3Very low180 Ų180158.9 Ų158.978%0.78383%0.828SS**PPolyproline II helixtrans-75157.6173.8-84.8178166.1-177.20110.1
152R42.3Very low38Very low236 Ų236155.1 Ų155.189%0.89183%0.83SS**PPolyproline II helixtrans-57.7148.8160-56167.171.51744.9110.5
153P39Very low38.3Very low124 Ų124154.8 Ų154.881%0.80583%0.828SS**PPolyproline II helixtrans-86.9139.5142.5-1.221000109.2
154G35.3Very low38.5Very low73 Ų73159 Ų15975%0.75383%0.834SS**  trans-122.5124.7163.100000108.4
155T37Very low38.4Very low146 Ų146158.8 Ų158.890%0.89683%0.827SS**  trans-152.7129.9171.5-520000106.1
156G31.7Very low38.1Very low67 Ų67157.3 Ų157.369%0.69183%0.825SS**  cis-166.5168.7-6.900000110.3
157N41.2Very low37.8Very low174 Ų174153.9 Ų153.993%0.9382%0.823SS**  trans-66.6135.1170-96.5-31.7000110.4
158K38.2Very low37.3Very low208 Ų208148.6 Ų148.690%0.90482%0.822SS**  trans-152.189.1154.7-141.3176.9-172.3-177.40109.9
159G32.3Very low37.1Very low66 Ų66145.1 Ų145.168%0.6882%0.815SS**  trans-75.7154.2159.200000109.8
160S37.5Very low36.9Very low124 Ų124145.9 Ų145.987%0.86782%0.821SS**  trans-169.6140.4144.8-96.90000109.4
161N41Very low36.9Very low163 Ų163142.7 Ų142.787%0.87282%0.817SS**  trans-67.9149.8-179-56.1-75000112.3
162A34.1Very low36.9Very low104 Ų104143 Ų14386%0.8682%0.821SS**  trans-139.4105.3151.600000108.5
163L41.4Very low37.2Very low160 Ų160140 Ų14084%0.83882%0.823SS**  trans-70.9151.2166.9-67163.8000109.5
164L37.6Very low37.3Very low156 Ų156137.3 Ų137.382%0.81782%0.818SS**  trans165.3101.6138.5-87.6164.6000106.7
165R36.8Very low37.8Very low213 Ų213142.8 Ų142.880%0.80482%0.821SS**  86.6118.887.9-116.2-169.1173.9-161.2-2.1112.7
166N35.6Very low37.9Very low140 Ų140141.7 Ų141.775%0.74982%0.816SS**  trans47.6145.4135.2-66.534.7000120
167S33.2Very low38.6Very low109 Ų109148 Ų14876%0.76283%0.825SS**  cis-178.1153.3-1.641.40000109.6
168G29.1Very low39.2Very low74 Ų74146.6 Ų146.676%0.76381%0.813SS**  trans81.1157.7172.600000114.2
169S34.4Very low39.6Very low109 Ų109146.2 Ų146.276%0.76281%0.811SS**  cis-168.7163.8-7.445.90000109.8
170Q38Very low40.8Very low192 Ų192150.2 Ų150.290%0.89781%0.812SS**  trans76136.2170.5-60.3-168.3-57.600118
171E41.7Very low41.9Very low179 Ų179151 Ų15184%0.83680%0.802SS**  trans-76.1150.5169.2-51.3-179.9154.500109.4
172E36.9Very low42.7Very low185 Ų185151.9 Ų151.986%0.86480%0.801SS**  trans-156.3135.6149.5-88.6-53149.500107.1G174E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 2.98Å
173D48.7Very low44.4Very low174 Ų174149.5 Ų149.593%0.9377%0.773SS**  trans-68.282.3-177.8-93.4-74.4000112.4K175D173-K175 PolarHBondContact O-N 3.16Å
174G40.8Very low46.1Very low68 Ų68145.1 Ų145.170%0.70176%0.756SS**  trans-90.982.8-175.600000113.9E172E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 2.98Å
175K46.6Very low47.9Very low187 Ų187143 Ų14381%0.81374%0.742SS**  trans-36.6125.4165.1179.4177.6-176.11730110.9D173 K177D173-K175 PolarHBondContact O-N 3.16Å; K175-K177 PolarHBondContact O-N 3.4Å
176P39.7Very low49.6Very low124 Ų124136.4 Ų136.481%0.80573%0.732SS**  trans-65.4101.7-173.725.3-33.7000110.3E178P176-E178 PolarHBondContact O-N 3.17Å
177K45.6Very low51.6Low198 Ų198133.3 Ų133.386%0.86171%0.713SS**  trans-67.998.8168.6-76.1-178.1178.3174.30107.7K175 K179K175-K177 PolarHBondContact O-N 3.4Å; K177-K179 PolarHBondContact O-N 3.21Å
178E54.1Low53.7Low146 Ų146129.6 Ų129.668%0.68268%0.684SS**  trans-43.7111.9168.3-174.1-171.7127.600109P176 Q180P176-E178 PolarHBondContact O-N 3.17Å; E178-Q180 HydrophobicContact CG-CG 4.09Å; E178-Q180 PolarHBondContact O-N 2.69Å; E178-Q180 WeakPolarHBondContact OE1-CG 3.34Å; E178-Q180 PolarHBondContact OE1-NE2 2.71Å
179K46.4Very low56.1Low200 Ų200131.1 Ų131.187%0.8768%0.675SS**  trans-7376.6173.3-75-177.3179.2175.70108.2K177 Q181K177-K179 PolarHBondContact O-N 3.21Å; K179-Q181 PolarHBondContact O-N 3.36Å
180Q57.9Low58.2Low150 Ų150132.1 Ų132.170%0.70167%0.667SS**  trans-54.6111.5169.4-75.4-171.2-11.400107.9E178 H182E178-Q180 HydrophobicContact CG-CG 4.09Å; E178-Q180 PolarHBondContact O-N 2.69Å; E178-Q180 WeakPolarHBondContact OE1-CG 3.34Å; E178-Q180 PolarHBondContact OE1-NE2 2.71Å; Q180-H182 PolarHBondContact O-N 2.85Å
181Q59.8Low60.1Low140 Ų140124.5 Ų124.565%0.65463%0.631SS**  trans-59.8111173.1-66.5176.7-9.700106K179 L183K179-Q181 PolarHBondContact O-N 3.36Å; Q181-L183 PolarHBondContact O-N 2.76Å
182H57.8Low62.1Low182 Ų182116.4 Ų116.484%0.84359%0.594SS**  trans-68.577.9-171.6-174.4-88.8000110.9Q180Q180-H182 PolarHBondContact O-N 2.85Å
183L69.6Low64.2Low53 Ų53110.1 Ų110.128%0.27757%0.568SS.*  trans-61.9138.9166.3-67.5166.9000107.4Q181 Q185 F187 I188 K216 F217Q181-L183 PolarHBondContact O-N 2.76Å; L183-Q185 PolarHBondContact O-N 3.03Å; L183-F187 HydrophobicContact CB-CD1 4.26Å; L183-F187 HydrophobicContact CD1-CD1 4.24Å; L183-F187 HydrophobicContact CD1-CE1 4.26Å; L183-F187 HydrophobicContact CD2-CD1 3.97Å; L183-F187 HydrophobicContact CD2-CE1 4.09Å; L183-F187 HydrophobicContact CG-CD1 4.39Å; L183-I188 HydrophobicContact CB-CD1 4.32Å; L183-I188 HydrophobicContact CB-CG1 4.09Å; L183-K216 HydrophobicContact CD1-CD 4.38Å; L183-F217 HydrophobicContact CD1-CE1 4.38Å; L183-F217 HydrophobicContact CD1-CZ 4.49Å
184S77.5Confident65.6Low69 Ų69107.5 Ų107.548%0.48355%0.551SS.*  trans-61140.1178.2600000110.2A186 F187 I188S184-A186 PolarHBondContact O-N 2.85Å; S184-F187 WeakPolarHBondContact O-CA 3.42Å; S184-F187 WeakPolarHBondContact O-CB 3.5Å; S184-F187 PolarHBondContact O-N 3.4Å; S184-F187 WeakPolarHBondContact OG-CB 3.48Å; S184-F187 PolarHBondContact OG-N 2.82Å; S184-I188 PolarHBondContact O-N 2.92Å; S184-I188 VanDerWaalsContact O-N 3.13Å
185Q75Confident67Low112 Ų112112.3 Ų112.352%0.52355%0.548SS..Hα-helixtrans-54.5-31.8179.1-167.563.751.700112L183 I188 N189L183-Q185 PolarHBondContact O-N 3.03Å; Q185-I188 PolarHBondContact O-N 2.96Å; Q185-N189 PolarHBondContact NE2-OD1 3Å; Q185-N189 WeakPolarHBondContact O-CB 3.48Å; Q185-N189 PolarHBondContact O-N 3.38Å; Q185-N189 PolarHBondContact O-OD1 3.12Å; Q185-N189 VanDerWaalsContact O-OD1 3.13Å
186A73.9Confident67.8Low73 Ų73111 Ų11160%0.60354%0.542SS*.Hα-helixtrans-63.4-38.6173.100000113.7S184 Q190S184-A186 PolarHBondContact O-N 2.85Å; A186-Q190 WeakPolarHBondContact O-CB 3.27Å; A186-Q190 PolarHBondContact O-N 2.68Å; A186-Q190 VanDerWaalsContact O-N 3.16Å
187F77.1Confident69.4Low76 Ų76108.1 Ų108.133%0.33353%0.534SS..Hα-helixtrans-70.3-39175.9179.6-92.7000111.7L183 S184 H191 F217L183-F187 HydrophobicContact CB-CD1 4.26Å; L183-F187 HydrophobicContact CD1-CD1 4.24Å; L183-F187 HydrophobicContact CD1-CE1 4.26Å; L183-F187 HydrophobicContact CD2-CD1 3.97Å; L183-F187 HydrophobicContact CD2-CE1 4.09Å; L183-F187 HydrophobicContact CG-CD1 4.39Å; S184-F187 WeakPolarHBondContact O-CA 3.42Å; S184-F187 WeakPolarHBondContact O-CB 3.5Å; S184-F187 PolarHBondContact O-N 3.4Å; S184-F187 WeakPolarHBondContact OG-CB 3.48Å; S184-F187 PolarHBondContact OG-N 2.82Å; F187-H191 AromaticContact CD2-CD2 3.58Å; F187-H191 AromaticContact CD2-NE2 3.88Å; F187-H191 AromaticContact CE2-CD2 3.31Å; F187-H191 WeakPolarHBondContact CE2-CD2 3.43Å; F187-H191 AromaticContact CE2-NE2 3.51Å; F187-H191 AromaticContact CZ-CD2 3.59Å; F187-H191 PolarHBondContact O-CD2 2.87Å; F187-H191 PolarHBondContact O-N 2.94Å; F187-F217 HydrophobicContact CD1-CZ 4.23Å; F187-F217 HydrophobicContact CE1-CE2 4.29Å; F187-F217 AromaticContact CE1-CZ 3.84Å; F187-F217 HydrophobicContact CE1-CZ 3.84Å
188I78.1Confident70.9Confident31 Ų31103.8 Ų103.816%0.15952%0.515CS..Hα-helixtrans-58.7-62.3173.1-61.6172.8000108.3L183 S184 Q185 Q190 H191 T192 Q199L183-I188 HydrophobicContact CB-CD1 4.32Å; L183-I188 HydrophobicContact CB-CG1 4.09Å; S184-I188 PolarHBondContact O-N 2.92Å; S184-I188 VanDerWaalsContact O-N 3.13Å; Q185-I188 PolarHBondContact O-N 2.96Å; I188-Q190 PolarHBondContact O-N 3.16Å; I188-H191 CarbonylContact O-C 3.48Å; I188-H191 PolarHBondContact O-N 3.13Å; I188-T192 HydrophobicContact CG2-CG2 4.07Å; I188-T192 WeakPolarHBondContact CG2-OG1 3.37Å; I188-T192 PolarHBondContact O-N 2.92Å; I188-T192 PolarHBondContact O-OG1 2.9Å; I188-Q199 HydrophobicContact CG2-CG 4.4Å
189N78.3Confident72.1Confident106 Ų10699.1 Ų99.157%0.56749%0.494SS*.Hα-helixtrans-57.1-23-177-63.52.7000114.8Q185Q185-N189 PolarHBondContact NE2-OD1 3Å; Q185-N189 WeakPolarHBondContact O-CB 3.48Å; Q185-N189 PolarHBondContact O-N 3.38Å; Q185-N189 PolarHBondContact O-OD1 3.12Å; Q185-N189 VanDerWaalsContact O-OD1 3.13Å
190Q78.2Confident73.9Confident130 Ų13090.1 Ų90.161%0.60746%0.455SS*.Hα-helixtrans-82.2-28.8176.9-176.1165.974.900113.4A186 I188A186-Q190 WeakPolarHBondContact O-CB 3.27Å; A186-Q190 PolarHBondContact O-N 2.68Å; A186-Q190 VanDerWaalsContact O-N 3.16Å; I188-Q190 PolarHBondContact O-N 3.16Å
191H79.2Confident75.2Confident31 Ų3183 Ų8314%0.14442%0.422CS..Hα-helixtrans-118.7-4.6-171.9-63.2-55.5000114.6F187 I188 K202 Y203 F217F187-H191 AromaticContact CD2-CD2 3.58Å; F187-H191 AromaticContact CD2-NE2 3.88Å; F187-H191 AromaticContact CE2-CD2 3.31Å; F187-H191 WeakPolarHBondContact CE2-CD2 3.43Å; F187-H191 AromaticContact CE2-NE2 3.51Å; F187-H191 AromaticContact CZ-CD2 3.59Å; F187-H191 PolarHBondContact O-CD2 2.87Å; F187-H191 PolarHBondContact O-N 2.94Å; I188-H191 CarbonylContact O-C 3.48Å; I188-H191 PolarHBondContact O-N 3.13Å; H191-K202 VanDerWaalsContact O-CB 3.27Å; H191-K202 WeakPolarHBondContact O-CB 3.35Å; H191-K202 PolarHBondContact O-N 3.07Å; H191-Y203 HydrophobicContact CB-CE2 4.46Å; H191-Y203 AromaticContact CE1-CE2 3.99Å; H191-Y203 PolarHBondContact CE1-OH 3.03Å; H191-Y203 VanDerWaalsContact CE1-OH 3.25Å; H191-Y203 AromaticContact ND1-CE2 3.28Å; H191-Y203 VanDerWaalsContact ND1-CE2 3.28Å; H191-Y203 WeakPolarHBondContact ND1-CE2 3.37Å; H191-Y203 AromaticContact ND1-CZ 3.58Å; H191-Y203 PolarHBondContact ND1-OH 3.48Å; H191-Y203 VanDerWaalsContact ND1-OH 3.14Å; H191-F217 HydrophobicContact CB-CE2 3.83Å; H191-F217 HydrophobicContact CB-CZ 4.34Å
192T83.4Confident76.5Confident9 Ų980.6 Ų80.66%0.05541%0.409CS..EExtended strand (participates in β ladder)trans-117.9165.8174.567.70000112.7I188 Q199 I200 F217I188-T192 HydrophobicContact CG2-CG2 4.07Å; I188-T192 WeakPolarHBondContact CG2-OG1 3.37Å; I188-T192 PolarHBondContact O-N 2.92Å; I188-T192 PolarHBondContact O-OG1 2.9Å; T192-Q199 HydrophobicContact CG2-CB 4.16Å; T192-Q199 PolarHBondContact OG1-OE1 3.35Å; T192-I200 CarbonylContact C-O 3.58Å; T192-I200 WeakPolarHBondContact CA-O 3.46Å; T192-I200 WeakPolarHBondContact CB-O 3.35Å; T192-F217 HydrophobicContact CG2-CB 4.15Å; T192-F217 HydrophobicContact CG2-CD1 3.22Å; T192-F217 HydrophobicContact CG2-CD2 3.84Å; T192-F217 HydrophobicContact CG2-CE1 3.31Å; T192-F217 HydrophobicContact CG2-CE2 3.92Å; T192-F217 HydrophobicContact CG2-CG 3.49Å; T192-F217 VanDerWaalsContact CG2-CG 3.49Å; T192-F217 HydrophobicContact CG2-CZ 3.66Å
193V80.9Confident77.7Confident53 Ų5376.6 Ų76.632%0.32139%0.387SS..EExtended strand (participates in β ladder)trans-132.5126.1164.6-179.60000106.9I200 K202 L205V193-I200 PolarHBondContact N-O 2.96Å; V193-I200 WeakPolarHBondContact O-CB 3.12Å; V193-I200 PolarHBondContact O-N 3.5Å; V193-K202 HydrophobicContact CG2-CB 4.37Å; V193-K202 HydrophobicContact CG2-CG 4.49Å; V193-L205 HydrophobicContact CB-CD1 4.09Å; V193-L205 HydrophobicContact CG2-CD1 4.02Å
194E77.8Confident78.4Confident120 Ų12077.6 Ų77.656%0.56139%0.39SS*.EExtended strand (participates in β ladder)trans-79.8128.9179.1-164.8169.1166.200111.4K198 Q199E194-K198 WeakPolarHBondContact CA-O 3.42Å; E194-Q199 VanDerWaalsContact CD-NE2 3.29Å; E194-Q199 PolarHBondContact OE2-NE2 3.14Å
195R69.4Low78.5Confident169 Ų16978 Ų7864%0.63839%0.386SS*.EExtended strand (participates in β ladder)trans-142.2133.1171.6-65.5-68.5-172.1153.5-3109G197 K198 I200R195-G197 PolarHBondContact O-N 3.49Å; R195-G197 VanDerWaalsContact O-N 3.12Å; R195-K198 PolarHBondContact N-O 3.05Å; R195-K198 PolarHBondContact O-N 3.22Å; R195-I200 HydrophobicContact CB-CD1 3.63Å; R195-I200 HydrophobicContact CG-CD1 3.79Å
196K64.4Low78.8Confident160 Ų16076.6 Ų76.670%0.69638%0.379SS*.THydrogen-bonded Turntrans51.333.9179.6-56-179.3176-178.40113K198 E224K196-K198 VanDerWaalsContact C-N 3.27Å; K196-K198 PolarHBondContact O-N 3.11Å; K196-E224 IonicContact NZ-OE2 2.71Å; K196-E224 PolarHBondContact NZ-OE2 3.11Å
197G72.1Confident79Confident62 Ų6282.8 Ų82.864%0.63939%0.387SS*.THydrogen-bonded Turntrans74.55.4-176.400000115.9R195R195-G197 PolarHBondContact O-N 3.49Å; R195-G197 VanDerWaalsContact O-N 3.12Å
198K77.8Confident79.4Confident107 Ų10785.7 Ų85.747%0.46540%0.4SS..EExtended strand (participates in β ladder)trans-104142.9177.3-69.5-165.4178.7-168.50111.8E194 R195 K196 I200 D218E194-K198 WeakPolarHBondContact CA-O 3.42Å; R195-K198 PolarHBondContact N-O 3.05Å; R195-K198 PolarHBondContact O-N 3.22Å; K196-K198 VanDerWaalsContact C-N 3.27Å; K196-K198 PolarHBondContact O-N 3.11Å; K198-I200 PolarHBondContact O-N 3.48Å; K198-D218 WeakPolarHBondContact CB-OD2 3.47Å
199Q80.6Confident79.7Confident49 Ų4985.5 Ų85.523%0.22940%0.401CS..EExtended strand (participates in β ladder)trans-95.586.4-177.1-69.3-64.4-22.900110.2I188 T192 E194 D218I188-Q199 HydrophobicContact CG2-CG 4.4Å; T192-Q199 HydrophobicContact CG2-CB 4.16Å; T192-Q199 PolarHBondContact OG1-OE1 3.35Å; E194-Q199 VanDerWaalsContact CD-NE2 3.29Å; E194-Q199 PolarHBondContact OE2-NE2 3.14Å; Q199-D218 PolarHBondContact N-OD2 3.21Å; Q199-D218 PolarHBondContact O-N 3.09Å
200I83.6Confident80Confident10 Ų1088.5 Ų88.55%0.05142%0.415CS..EExtended strand (participates in β ladder)trans-76.4139.2-175.5-64163.3000110.6T192 V193 R195 K198 K202 L205 D218 A221T192-I200 CarbonylContact C-O 3.58Å; T192-I200 WeakPolarHBondContact CA-O 3.46Å; T192-I200 WeakPolarHBondContact CB-O 3.35Å; V193-I200 PolarHBondContact N-O 2.96Å; V193-I200 WeakPolarHBondContact O-CB 3.12Å; V193-I200 PolarHBondContact O-N 3.5Å; R195-I200 HydrophobicContact CB-CD1 3.63Å; R195-I200 HydrophobicContact CG-CD1 3.79Å; K198-I200 PolarHBondContact O-N 3.48Å; I200-K202 PolarHBondContact O-N 3.38Å; I200-L205 HydrophobicContact CG2-CD1 4.1Å; I200-L205 HydrophobicContact CG2-CD2 4Å; I200-L205 HydrophobicContact CG2-CG 3.88Å; I200-D218 VanDerWaalsContact CA-O 3.3Å; I200-D218 WeakPolarHBondContact CA-O 3.39Å; I200-D218 HydrophobicContact CG1-CB 4.44Å; I200-A221 HydrophobicContact CD1-CB 3.67Å; I200-A221 HydrophobicContact CG1-CB 4.07Å; I200-A221 HydrophobicContact CG2-CB 3.85Å
201C85.6Confident80.2Confident2 Ų287.5 Ų87.51%0.01441%0.409CS..EExtended strand (participates in β ladder)trans-64122.2175.4-170.60000112.4Y203 F204 L205 C215 F217 D218C201-Y203 VanDerWaalsContact C-N 3.3Å; C201-Y203 PolarHBondContact O-N 3.49Å; C201-F204 HydrophobicContact CB-CB 3.75Å; C201-F204 WeakPolarHBondContact O-CB 3.26Å; C201-F204 PolarHBondContact O-N 3.33Å; C201-L205 PolarHBondContact O-N 3.31Å; C201-C215 VanDerWaalsContact SG-SG 3.69Å; C201-F217 HydrophobicContact CB-CB 3.81Å; C201-F217 HydrophobicContact CB-CD2 4.43Å; C201-D218 PolarHBondContact N-O 2.91Å
202K85.9Confident80.1Confident88 Ų8887.4 Ų87.438%0.38342%0.416SS..Hα-helixtrans-57.9-40.9175-177.7178.4176.1178.80112.4H191 V193 I200 F204 L205 E206H191-K202 VanDerWaalsContact O-CB 3.27Å; H191-K202 WeakPolarHBondContact O-CB 3.35Å; H191-K202 PolarHBondContact O-N 3.07Å; V193-K202 HydrophobicContact CG2-CB 4.37Å; V193-K202 HydrophobicContact CG2-CG 4.49Å; I200-K202 PolarHBondContact O-N 3.38Å; K202-F204 VanDerWaalsContact C-N 3.26Å; K202-F204 PolarHBondContact O-N 3.34Å; K202-L205 PolarHBondContact O-N 2.86Å; K202-E206 PolarHBondContact O-N 2.98Å
203Y83.9Confident79.8Confident99 Ų9994.8 Ų94.839%0.38846%0.455SS..Hα-helixtrans-69.9-22.4178-59.7-64.8000113.3H191 C201 R207 K208 C209H191-Y203 HydrophobicContact CB-CE2 4.46Å; H191-Y203 AromaticContact CE1-CE2 3.99Å; H191-Y203 PolarHBondContact CE1-OH 3.03Å; H191-Y203 VanDerWaalsContact CE1-OH 3.25Å; H191-Y203 AromaticContact ND1-CE2 3.28Å; H191-Y203 VanDerWaalsContact ND1-CE2 3.28Å; H191-Y203 WeakPolarHBondContact ND1-CE2 3.37Å; H191-Y203 AromaticContact ND1-CZ 3.58Å; H191-Y203 PolarHBondContact ND1-OH 3.48Å; H191-Y203 VanDerWaalsContact ND1-OH 3.14Å; C201-Y203 VanDerWaalsContact C-N 3.3Å; C201-Y203 PolarHBondContact O-N 3.49Å; Y203-R207 PolarHBondContact O-N 2.99Å; Y203-K208 CarbonylContact O-C 3.56Å; Y203-K208 PolarHBondContact O-N 3.36Å; Y203-C209 PolarHBondContact O-N 3.49Å
204F82.8Confident79.7Confident74 Ų74100.7 Ų100.733%0.32548%0.479SS..Hα-helixtrans-73.5-43174.5178.7-99.3000111.1C201 K202 E206 R207 C209 H219 A221C201-F204 HydrophobicContact CB-CB 3.75Å; C201-F204 WeakPolarHBondContact O-CB 3.26Å; C201-F204 PolarHBondContact O-N 3.33Å; K202-F204 VanDerWaalsContact C-N 3.26Å; K202-F204 PolarHBondContact O-N 3.34Å; F204-E206 PolarHBondContact O-N 2.82Å; F204-R207 WeakPolarHBondContact O-CA 3.48Å; F204-R207 PolarHBondContact O-N 2.82Å; F204-C209 HydrophobicContact CB-CB 4.15Å; F204-H219 VanDerWaalsContact CB-CD2 3.47Å; F204-H219 WeakPolarHBondContact CB-CD2 3.41Å; F204-H219 HydrophobicContact CD1-CB 4.28Å; F204-H219 HydrophobicContact CD2-CB 3.84Å; F204-H219 AromaticContact CD2-CD2 3.64Å; F204-H219 AromaticContact CD2-CE1 3.7Å; F204-H219 AromaticContact CD2-CG 3.38Å; F204-H219 AromaticContact CD2-ND1 3.44Å; F204-H219 WeakPolarHBondContact CD2-ND1 3.35Å; F204-H219 AromaticContact CD2-NE2 3.83Å; F204-H219 HydrophobicContact CE1-CB 4.21Å; F204-H219 WeakPolarHBondContact CE1-O 3.5Å; F204-H219 HydrophobicContact CE2-CB 3.74Å; F204-H219 AromaticContact CE2-CG 3.77Å; F204-H219 AromaticContact CE2-ND1 3.84Å; F204-H219 HydrophobicContact CG-CB 4.1Å; F204-H219 AromaticContact CG-CD2 3.52Å; F204-H219 AromaticContact CG-CG 3.68Å; F204-H219 AromaticContact CG-NE2 3.91Å; F204-H219 HydrophobicContact CZ-CB 3.93Å; F204-H219 VanDerWaalsContact CZ-O 3.24Å; F204-H219 WeakPolarHBondContact CZ-O 3.41Å; F204-A221 HydrophobicContact CE1-CB 4.42Å
205L79.8Confident80Confident77 Ų7796.1 Ų96.140%0.40346%0.46SS..Hα-helixtrans-57.4-34.9171.2-63.1173.6000112.1V193 I200 C201 K202 R207 A221 I223V193-L205 HydrophobicContact CB-CD1 4.09Å; V193-L205 HydrophobicContact CG2-CD1 4.02Å; I200-L205 HydrophobicContact CG2-CD1 4.1Å; I200-L205 HydrophobicContact CG2-CD2 4Å; I200-L205 HydrophobicContact CG2-CG 3.88Å; C201-L205 PolarHBondContact O-N 3.31Å; K202-L205 PolarHBondContact O-N 2.86Å; L205-R207 VanDerWaalsContact C-N 3.32Å; L205-A221 HydrophobicContact CD2-CB 4.46Å; L205-I223 HydrophobicContact CD2-CD1 4.1Å
206E82.1Confident80.6Confident83 Ų8393.8 Ų93.839%0.38846%0.455SS..THydrogen-bonded Turntrans-81.4-1.5173.3-67.4-174.9-143.400114.7K202 F204 K208K202-E206 PolarHBondContact O-N 2.98Å; F204-E206 PolarHBondContact O-N 2.82Å; E206-K208 HydrophobicContact CB-CD 4.1Å; E206-K208 HydrophobicContact CB-CG 4.28Å; E206-K208 PolarHBondContact O-N 2.65Å; E206-K208 WeakPolarHBondContact OE2-CE 3.28Å; E206-K208 IonicContact OE2-NZ 2.69Å; E206-K208 PolarHBondContact OE2-NZ 2.67Å
207R77.6Confident81.3Confident202 Ų20287.3 Ų87.376%0.76243%0.427SS*.THydrogen-bonded Turntrans53.427.5-170.6-61.2-171177.1-167.1-3.2114.9Y203 F204 L205 N243Y203-R207 PolarHBondContact O-N 2.99Å; F204-R207 WeakPolarHBondContact O-CA 3.48Å; F204-R207 PolarHBondContact O-N 2.82Å; L205-R207 VanDerWaalsContact C-N 3.32Å; R207-N243 PolarHBondContact NH2-OD1 3.18Å; R207-N243 VanDerWaalsContact NH2-OD1 3.17Å
208K85.5Confident81.7Confident137 Ų13787.4 Ų87.460%0.59641%0.412SS*.  trans-107.53.5177.8-64.3169.9-163.6162.30113.3Y203 E206 I210Y203-K208 CarbonylContact O-C 3.56Å; Y203-K208 PolarHBondContact O-N 3.36Å; E206-K208 HydrophobicContact CB-CD 4.1Å; E206-K208 HydrophobicContact CB-CG 4.28Å; E206-K208 PolarHBondContact O-N 2.65Å; E206-K208 WeakPolarHBondContact OE2-CE 3.28Å; E206-K208 IonicContact OE2-NZ 2.69Å; E206-K208 PolarHBondContact OE2-NZ 2.67Å; K208-I210 PolarHBondContact O-N 3.01Å
209C84.8Confident81.6Confident27 Ų2783.4 Ų83.418%0.18240%0.395CS..  trans-72102.1-178-166.40000111.4Y203 F204 K211 H219Y203-C209 PolarHBondContact O-N 3.49Å; F204-C209 HydrophobicContact CB-CB 4.15Å; C209-K211 PolarHBondContact O-N 2.98Å; C209-H219 PolarHBondContact SG-CE1 2.85Å; C209-H219 PolarHBondContact SG-NE2 3.44Å
210I84.4Confident80.8Confident170 Ų17087.4 Ų87.487%0.87242%0.418SS*.THydrogen-bonded Turntrans-68.6-9.6175.561.4172000114.2K208K208-I210 PolarHBondContact O-N 3.01Å
211K81.8Confident79.6Confident108 Ų10887.8 Ų87.847%0.4742%0.423SS..THydrogen-bonded Turntrans-84.3-17.9-175.8-62.8-175.9179.6179.40113.3C209 D213 Q214 C215C209-K211 PolarHBondContact O-N 2.98Å; K211-D213 PolarHBondContact O-N 2.96Å; K211-Q214 WeakPolarHBondContact O-CB 3.14Å; K211-Q214 PolarHBondContact O-N 3.49Å; K211-C215 HydrophobicContact CB-CB 3.96Å
212G77.6Confident78.3Confident29 Ų2995.2 Ų95.230%0.29946%0.458SS..G310 helixtrans47.1-135.4-173.600000110.9Q214 C215 H219G212-Q214 PolarHBondContact O-N 3.41Å; G212-Q214 VanDerWaalsContact O-N 3.1Å; G212-C215 WeakPolarHBondContact O-CB 3.44Å; G212-C215 PolarHBondContact O-N 3.29Å; G212-C215 VanDerWaalsContact O-N 3.09Å; G212-H219 PolarHBondContact O-CE1 3.45Å; G212-H219 PolarHBondContact O-ND1 3.15Å
213D76.8Confident76.9Confident164 Ų16495.2 Ų95.288%0.87746%0.461SS*.G310 helixtrans-71.1-6.5-175.8-39.5-45.4000113.4K211 C215K211-D213 PolarHBondContact O-N 2.96Å; D213-C215 VanDerWaalsContact C-N 3.3Å
214Q79.8Confident75.8Confident178 Ų17894.6 Ų94.683%0.83246%0.461SS*.G310 helixtrans-91.114.5171.8-55.3-176.610.300112.9K211 G212K211-Q214 WeakPolarHBondContact O-CB 3.14Å; K211-Q214 PolarHBondContact O-N 3.49Å; G212-Q214 PolarHBondContact O-N 3.41Å; G212-Q214 VanDerWaalsContact O-N 3.1Å
215C83.8Confident74.7Confident23 Ų2396.7 Ų96.716%0.15547%0.47CS..  trans-70.3144173.9-159.50000111.1C201 K211 G212 D213 F217 H219C201-C215 VanDerWaalsContact SG-SG 3.69Å; K211-C215 HydrophobicContact CB-CB 3.96Å; G212-C215 WeakPolarHBondContact O-CB 3.44Å; G212-C215 PolarHBondContact O-N 3.29Å; G212-C215 VanDerWaalsContact O-N 3.09Å; D213-C215 VanDerWaalsContact C-N 3.3Å; C215-F217 PolarHBondContact O-N 2.9Å; C215-H219 WeakPolarHBondContact CB-CE1 3.5Å; C215-H219 WeakPolarHBondContact CB-NE2 3.37Å; C215-H219 PolarHBondContact SG-NE2 2.92Å; C215-H219 VanDerWaalsContact SG-NE2 3.38Å
216K81.6Confident74Confident121 Ų12197.4 Ų97.453%0.52647%0.47SS..SBendtrans-78.78.8175.9-61.8-163.2175.6-165.80113.5L183L183-K216 HydrophobicContact CD1-CD 4.38Å
217F80.4Confident73.4Confident24 Ų2496.9 Ų96.911%0.10547%0.467CS..SBendtrans-141.9145.4-168.6-57.9-50.5000107.8L183 F187 H191 T192 C201 C215 H219L183-F217 HydrophobicContact CD1-CE1 4.38Å; L183-F217 HydrophobicContact CD1-CZ 4.49Å; F187-F217 HydrophobicContact CD1-CZ 4.23Å; F187-F217 HydrophobicContact CE1-CE2 4.29Å; F187-F217 AromaticContact CE1-CZ 3.84Å; F187-F217 HydrophobicContact CE1-CZ 3.84Å; H191-F217 HydrophobicContact CB-CE2 3.83Å; H191-F217 HydrophobicContact CB-CZ 4.34Å; T192-F217 HydrophobicContact CG2-CB 4.15Å; T192-F217 HydrophobicContact CG2-CD1 3.22Å; T192-F217 HydrophobicContact CG2-CD2 3.84Å; T192-F217 HydrophobicContact CG2-CE1 3.31Å; T192-F217 HydrophobicContact CG2-CE2 3.92Å; T192-F217 HydrophobicContact CG2-CG 3.49Å; T192-F217 VanDerWaalsContact CG2-CG 3.49Å; T192-F217 HydrophobicContact CG2-CZ 3.66Å; C201-F217 HydrophobicContact CB-CB 3.81Å; C201-F217 HydrophobicContact CB-CD2 4.43Å; C215-F217 PolarHBondContact O-N 2.9Å; F217-H219 PolarHBondContact O-CD2 3.46Å; F217-H219 PolarHBondContact O-N 3.19Å
218D80.1Confident73.4Confident63 Ų6392.1 Ų92.134%0.33745%0.453SS..BIsolated β-bridgetrans-60.1129-170.9-65.6-50.1000111.3K198 Q199 I200 C201K198-D218 WeakPolarHBondContact CB-OD2 3.47Å; Q199-D218 PolarHBondContact N-OD2 3.21Å; Q199-D218 PolarHBondContact O-N 3.09Å; I200-D218 VanDerWaalsContact CA-O 3.3Å; I200-D218 WeakPolarHBondContact CA-O 3.39Å; I200-D218 HydrophobicContact CG1-CB 4.44Å; C201-D218 PolarHBondContact N-O 2.91Å
219H74.9Confident73.3Confident24 Ų2488.2 Ų88.211%0.11144%0.437CS..  trans-99.5-16.4166-73.7-173.3000111.4F204 C209 G212 C215 F217 A221F204-H219 VanDerWaalsContact CB-CD2 3.47Å; F204-H219 WeakPolarHBondContact CB-CD2 3.41Å; F204-H219 HydrophobicContact CD1-CB 4.28Å; F204-H219 HydrophobicContact CD2-CB 3.84Å; F204-H219 AromaticContact CD2-CD2 3.64Å; F204-H219 AromaticContact CD2-CE1 3.7Å; F204-H219 AromaticContact CD2-CG 3.38Å; F204-H219 AromaticContact CD2-ND1 3.44Å; F204-H219 WeakPolarHBondContact CD2-ND1 3.35Å; F204-H219 AromaticContact CD2-NE2 3.83Å; F204-H219 HydrophobicContact CE1-CB 4.21Å; F204-H219 WeakPolarHBondContact CE1-O 3.5Å; F204-H219 HydrophobicContact CE2-CB 3.74Å; F204-H219 AromaticContact CE2-CG 3.77Å; F204-H219 AromaticContact CE2-ND1 3.84Å; F204-H219 HydrophobicContact CG-CB 4.1Å; F204-H219 AromaticContact CG-CD2 3.52Å; F204-H219 AromaticContact CG-CG 3.68Å; F204-H219 AromaticContact CG-NE2 3.91Å; F204-H219 HydrophobicContact CZ-CB 3.93Å; F204-H219 VanDerWaalsContact CZ-O 3.24Å; F204-H219 WeakPolarHBondContact CZ-O 3.41Å; C209-H219 PolarHBondContact SG-CE1 2.85Å; C209-H219 PolarHBondContact SG-NE2 3.44Å; G212-H219 PolarHBondContact O-CE1 3.45Å; G212-H219 PolarHBondContact O-ND1 3.15Å; C215-H219 WeakPolarHBondContact CB-CE1 3.5Å; C215-H219 WeakPolarHBondContact CB-NE2 3.37Å; C215-H219 PolarHBondContact SG-NE2 2.92Å; C215-H219 VanDerWaalsContact SG-NE2 3.38Å; F217-H219 PolarHBondContact O-CD2 3.46Å; F217-H219 PolarHBondContact O-N 3.19Å; H219-A221 PolarHBondContact O-N 3.35Å
220D63.9Low73.4Confident132 Ų13287 Ų8771%0.70643%0.429SS*.  trans-73.551.3162.4-69.1-24.3000111.5E222D220-E222 PolarHBondContact O-N 2.9Å
221A58.4Low73.4Confident18 Ų1886.3 Ų86.315%0.14942%0.42CS..  trans-61.583.8136.700000107.1I200 F204 L205 H219 I223I200-A221 HydrophobicContact CD1-CB 3.67Å; I200-A221 HydrophobicContact CG1-CB 4.07Å; I200-A221 HydrophobicContact CG2-CB 3.85Å; F204-A221 HydrophobicContact CE1-CB 4.42Å; L205-A221 HydrophobicContact CD2-CB 4.46Å; H219-A221 PolarHBondContact O-N 3.35Å; A221-I223 HydrophobicContact CB-CD1 4.48Å; A221-I223 HydrophobicContact CB-CG1 3.76Å; A221-I223 PolarHBondContact O-N 3.36Å
222E58.1Low73.7Confident159 Ų15986.6 Ų86.674%0.74342%0.421SS*.  trans-5582.1141.5-172.484.7-111.800105.2D220 E224D220-E222 PolarHBondContact O-N 2.9Å; E222-E224 PolarHBondContact O-N 2.89Å
223I57.4Low74.2Confident87 Ų8788.3 Ų88.345%0.44642%0.419SS..  trans-71.272.9164.6-51172.7000103.2L205 A221 K225 L245L205-I223 HydrophobicContact CD2-CD1 4.1Å; A221-I223 HydrophobicContact CB-CD1 4.48Å; A221-I223 HydrophobicContact CB-CG1 3.76Å; A221-I223 PolarHBondContact O-N 3.36Å; I223-K225 PolarHBondContact O-N 2.87Å; I223-L245 HydrophobicContact CD1-CD2 4.45Å; I223-L245 HydrophobicContact CG2-CD2 3.93Å
224E60.2Low74.6Confident86 Ų8682.5 Ų82.540%0.40239%0.39SS..  trans-39.6108.4177.7176.9-179.1-175.900105.4K196 E222 K226 K227K196-E224 IonicContact NZ-OE2 2.71Å; K196-E224 PolarHBondContact NZ-OE2 3.11Å; E222-E224 PolarHBondContact O-N 2.89Å; E224-K226 PolarHBondContact O-N 2.97Å; E224-K227 WeakPolarHBondContact OE1-CE 3.21Å; E224-K227 IonicContact OE1-NZ 2.65Å
225K60.8Low74.9Confident118 Ų11879.8 Ų79.851%0.51338%0.377SS..  trans-48115.3-174.7-74.3177.1177.3177.10104.5I223 K227 L247I223-K225 PolarHBondContact O-N 2.87Å; K225-K227 PolarHBondContact O-N 3.25Å; K225-L247 HydrophobicContact CB-CD2 4.47Å
226K64Low75.1Confident93 Ų9381.9 Ų81.940%0.40440%0.402SS..EExtended strand (participates in β ladder)trans-50.9124.8-174.3-82.9179.3137.4-1360105E224 E228 L245 Y246E224-K226 PolarHBondContact O-N 2.97Å; K226-E228 HydrophobicContact CB-CB 4.28Å; K226-E228 IonicContact NZ-OE1 2.67Å; K226-E228 IonicContact NZ-OE2 3.79Å; K226-E228 PolarHBondContact NZ-OE2 3.07Å; K226-E228 PolarHBondContact O-N 3.49Å; K226-E228 VanDerWaalsContact O-O 3.14Å; K226-L245 WeakPolarHBondContact CB-O 3.48Å; K226-L245 PolarHBondContact N-O 2.95Å; K226-Y246 HydrophobicContact CB-CD1 4.02Å; K226-Y246 HydrophobicContact CB-CE1 4.2Å; K226-Y246 HydrophobicContact CD-CD1 4.13Å; K226-Y246 HydrophobicContact CD-CE1 3.51Å; K226-Y246 PolarHBondContact NZ-OH 3.38Å
227K70.2Confident75.4Confident72 Ų7281.8 Ų81.831%0.31340%0.399SS..EExtended strand (participates in β ladder)trans-73.333.2-177.1-51.2-166-171.1-168.90111.7E224 K225 E278 L282E224-K227 WeakPolarHBondContact OE1-CE 3.21Å; E224-K227 IonicContact OE1-NZ 2.65Å; K225-K227 PolarHBondContact O-N 3.25Å; K227-E278 IonicContact NZ-OE2 2.61Å; K227-E278 PolarHBondContact NZ-OE2 3.02Å; K227-L282 HydrophobicContact CB-CD1 3.73Å; K227-L282 HydrophobicContact CB-CD2 3.4Å; K227-L282 VanDerWaalsContact CB-CD2 3.4Å; K227-L282 HydrophobicContact CB-CG 4.19Å; K227-L282 HydrophobicContact CD-CD2 3.96Å; K227-L282 HydrophobicContact CG-CD2 4.29Å
228E78.1Confident75.8Confident101 Ų10181.9 Ų81.947%0.47240%0.403SS..EExtended strand (participates in β ladder)trans-113.2140.2179.3-69.5171.8177.700107.2K226 Y246 L247K226-E228 HydrophobicContact CB-CB 4.28Å; K226-E228 IonicContact NZ-OE1 2.67Å; K226-E228 IonicContact NZ-OE2 3.79Å; K226-E228 PolarHBondContact NZ-OE2 3.07Å; K226-E228 PolarHBondContact O-N 3.49Å; K226-E228 VanDerWaalsContact O-O 3.14Å; E228-Y246 HydrophobicContact CB-CD1 3.89Å; E228-Y246 HydrophobicContact CB-CE1 4.11Å; E228-Y246 VanDerWaalsContact OE2-CE1 3.31Å; E228-Y246 WeakPolarHBondContact OE2-CE1 3.41Å; E228-L247 PolarHBondContact O-N 3.42Å; E228-L247 VanDerWaalsContact O-N 3.07Å
229M81.6Confident76.2Confident55 Ų5585.7 Ų85.727%0.27143%0.429SS..EExtended strand (participates in β ladder)trans-68.5138.2177-178.3-172.5-69.200111.8K231 V234 Y251 F270M229-K231 PolarHBondContact O-N 3.41Å; M229-K231 VanDerWaalsContact O-N 3.12Å; M229-V234 HydrophobicContact CG-CG2 3.66Å; M229-V234 HydrophobicContact SD-CG2 3.36Å; M229-V234 WeakPolarHBondContact SD-CG2 3.28Å; M229-Y251 HydrophobicContact CB-CD2 3.95Å; M229-Y251 HydrophobicContact CB-CE2 4.3Å; M229-Y251 HydrophobicContact CB-CG 4.18Å; M229-Y251 HydrophobicContact CE-CD1 3.16Å; M229-Y251 HydrophobicContact CE-CD2 4.34Å; M229-Y251 HydrophobicContact CE-CE1 3.56Å; M229-Y251 HydrophobicContact CE-CG 3.61Å; M229-Y251 HydrophobicContact CG-CG 4.47Å; M229-F270 HydrophobicContact CE-CD1 3.63Å; M229-F270 HydrophobicContact CE-CE1 3.19Å; M229-F270 HydrophobicContact CE-CZ 3.85Å; M229-F270 HydrophobicContact SD-CD1 4.39Å; M229-F270 HydrophobicContact SD-CE1 3.47Å; M229-F270 WeakPolarHBondContact SD-CE1 3.49Å; M229-F270 HydrophobicContact SD-CZ 4.02Å
230C86.9Confident76.5Confident1 Ų191.5 Ų91.51%0.00745%0.45CS..  trans-71.7104.9177.6-175.40000111.7F232 Y233 V234 C244 Y246 L247 H248C230-F232 PolarHBondContact O-N 3.25Å; C230-Y233 WeakPolarHBondContact O-CA 3.25Å; C230-Y233 WeakPolarHBondContact O-CB 3.26Å; C230-Y233 PolarHBondContact O-N 2.79Å; C230-Y233 PolarHBondContact SG-N 2.94Å; C230-Y233 VanDerWaalsContact SG-N 3.45Å; C230-V234 PolarHBondContact O-N 3.19Å; C230-V234 VanDerWaalsContact O-N 3.14Å; C230-C244 PolarHBondContact SG-SG 3.32Å; C230-Y246 VanDerWaalsContact CB-CB 3.48Å; C230-Y246 HydrophobicContact CB-CG 4.41Å; C230-L247 WeakPolarHBondContact CB-O 3.28Å; C230-L247 PolarHBondContact N-O 3.47Å; C230-H248 VanDerWaalsContact CB-CD2 3.41Å; C230-H248 WeakPolarHBondContact CB-CD2 3.41Å; C230-H248 PolarHBondContact SG-NE2 3.47Å
231K86.1Confident77.2Confident157 Ų15786.9 Ų86.968%0.68343%0.433SS*.Hα-helixtrans-53.7-39.3177.3-61.6-173.8-179.8-174.30113M229 Y233 Q235M229-K231 PolarHBondContact O-N 3.41Å; M229-K231 VanDerWaalsContact O-N 3.12Å; K231-Y233 VanDerWaalsContact C-N 3.29Å; K231-Y233 PolarHBondContact O-N 3Å; K231-Q235 WeakPolarHBondContact O-CG 3.31Å; K231-Q235 PolarHBondContact O-N 3.04Å; K231-Q235 PolarHBondContact O-NE2 3.41Å
232F87.6Confident78Confident113 Ų11394.6 Ų94.650%0.49647%0.466SS..Hα-helixtrans-66.6-29.9178-60.7-110000112C230 G236 Y237 C238C230-F232 PolarHBondContact O-N 3.25Å; F232-G236 PolarHBondContact O-N 2.72Å; F232-Y237 HydrophobicContact CB-CD2 4.16Å; F232-Y237 HydrophobicContact CB-CE2 3.96Å; F232-Y237 AromaticContact CD1-CD2 3.65Å; F232-Y237 HydrophobicContact CD1-CD2 3.65Å; F232-Y237 AromaticContact CD1-CE2 3.14Å; F232-Y237 HydrophobicContact CD1-CE2 3.14Å; F232-Y237 HydrophobicContact CE1-CD2 4.46Å; F232-Y237 AromaticContact CE1-CE2 3.71Å; F232-Y237 HydrophobicContact CE1-CE2 3.71Å; F232-Y237 HydrophobicContact CG-CD2 4.31Å; F232-Y237 AromaticContact CG-CE2 3.77Å; F232-Y237 HydrophobicContact CG-CE2 3.77Å; F232-Y237 CarbonylContact O-C 3.59Å; F232-Y237 PolarHBondContact O-N 3.3Å; F232-C238 HydrophobicContact CB-CB 3.97Å; F232-C238 PolarHBondContact O-N 3.15Å; F232-C238 VanDerWaalsContact O-N 3.09Å
233Y87.3Confident78.8Confident66 Ų6691.7 Ų91.726%0.25946%0.455SS..Hα-helixtrans-78.2-46.9179.9-176.6-106.8000111.9C230 K231 Q235 G236 C238 H248 N249C230-Y233 WeakPolarHBondContact O-CA 3.25Å; C230-Y233 WeakPolarHBondContact O-CB 3.26Å; C230-Y233 PolarHBondContact O-N 2.79Å; C230-Y233 PolarHBondContact SG-N 2.94Å; C230-Y233 VanDerWaalsContact SG-N 3.45Å; K231-Y233 VanDerWaalsContact C-N 3.29Å; K231-Y233 PolarHBondContact O-N 3Å; Y233-Q235 PolarHBondContact O-N 3.15Å; Y233-G236 WeakPolarHBondContact O-CA 3.22Å; Y233-G236 PolarHBondContact O-N 3.5Å; Y233-C238 HydrophobicContact CD2-CB 4.34Å; Y233-H248 HydrophobicContact CD1-CB 3.86Å; Y233-H248 AromaticContact CD1-CG 3.97Å; Y233-H248 HydrophobicContact CD2-CB 4.18Å; Y233-H248 AromaticContact CD2-CD2 3.87Å; Y233-H248 AromaticContact CD2-CE1 3.64Å; Y233-H248 AromaticContact CD2-CG 3.62Å; Y233-H248 AromaticContact CD2-ND1 3.48Å; Y233-H248 WeakPolarHBondContact CD2-ND1 3.47Å; Y233-H248 AromaticContact CD2-NE2 3.88Å; Y233-H248 HydrophobicContact CE1-CB 3.92Å; Y233-H248 HydrophobicContact CE2-CB 4.24Å; Y233-H248 AromaticContact CE2-ND1 3.85Å; Y233-H248 HydrophobicContact CG-CB 4.02Å; Y233-H248 AromaticContact CG-CD2 3.54Å; Y233-H248 AromaticContact CG-CG 3.6Å; Y233-H248 AromaticContact CG-ND1 3.95Å; Y233-H248 AromaticContact CG-NE2 3.86Å; Y233-N249 WeakPolarHBondContact CE1-OD1 3.38Å; Y233-N249 VanDerWaalsContact OH-CG 3.28Å; Y233-N249 PolarHBondContact OH-ND2 3.12Å; Y233-N249 VanDerWaalsContact OH-ND2 3.14Å; Y233-N249 PolarHBondContact OH-OD1 3.14Å
234V85.6Confident80Confident42 Ų4288.1 Ų88.126%0.25544%0.438SS..Hα-helixtrans-53.8-40.3176178.90000111M229 C230 K269 F270M229-V234 HydrophobicContact CG-CG2 3.66Å; M229-V234 HydrophobicContact SD-CG2 3.36Å; M229-V234 WeakPolarHBondContact SD-CG2 3.28Å; C230-V234 PolarHBondContact O-N 3.19Å; C230-V234 VanDerWaalsContact O-N 3.14Å; V234-K269 PolarHBondContact O-NZ 3Å; V234-F270 HydrophobicContact CG2-CE1 4.32Å
235Q86.6Confident81Confident121 Ų12187.2 Ų87.257%0.56544%0.435SS*.THydrogen-bonded Turntrans-86.8-2.5179.5-60.5176.949.400113.9K231 Y233 Y237K231-Q235 WeakPolarHBondContact O-CG 3.31Å; K231-Q235 PolarHBondContact O-N 3.04Å; K231-Q235 PolarHBondContact O-NE2 3.41Å; Y233-Q235 PolarHBondContact O-N 3.15Å; Q235-Y237 HydrophobicContact CB-CD1 3.66Å; Q235-Y237 HydrophobicContact CB-CE1 3.2Å; Q235-Y237 HydrophobicContact CG-CE1 4.09Å; Q235-Y237 VanDerWaalsContact OE1-CE1 3.32Å; Q235-Y237 PolarHBondContact OE1-OH 3.39Å
236G86.5Confident82Confident66 Ų6685.3 Ų85.368%0.6843%0.426SS*.THydrogen-bonded Turntrans87.84.5169.200000117.3F232 Y233F232-G236 PolarHBondContact O-N 2.72Å; Y233-G236 WeakPolarHBondContact O-CA 3.22Å; Y233-G236 PolarHBondContact O-N 3.5Å
237Y89.4Confident82.9Confident119 Ų11982.1 Ų82.147%0.46741%0.413SS..  trans-114.222.2-176.160.9-95000114.4F232 Q235 T239F232-Y237 HydrophobicContact CB-CD2 4.16Å; F232-Y237 HydrophobicContact CB-CE2 3.96Å; F232-Y237 AromaticContact CD1-CD2 3.65Å; F232-Y237 HydrophobicContact CD1-CD2 3.65Å; F232-Y237 AromaticContact CD1-CE2 3.14Å; F232-Y237 HydrophobicContact CD1-CE2 3.14Å; F232-Y237 HydrophobicContact CE1-CD2 4.46Å; F232-Y237 AromaticContact CE1-CE2 3.71Å; F232-Y237 HydrophobicContact CE1-CE2 3.71Å; F232-Y237 HydrophobicContact CG-CD2 4.31Å; F232-Y237 AromaticContact CG-CE2 3.77Å; F232-Y237 HydrophobicContact CG-CE2 3.77Å; F232-Y237 CarbonylContact O-C 3.59Å; F232-Y237 PolarHBondContact O-N 3.3Å; Q235-Y237 HydrophobicContact CB-CD1 3.66Å; Q235-Y237 HydrophobicContact CB-CE1 3.2Å; Q235-Y237 HydrophobicContact CG-CE1 4.09Å; Q235-Y237 VanDerWaalsContact OE1-CE1 3.32Å; Q235-Y237 PolarHBondContact OE1-OH 3.39Å; Y237-T239 PolarHBondContact O-N 2.86Å; Y237-T239 VanDerWaalsContact O-N 3.11Å
238C88.9Confident83.6Confident27 Ų2779.8 Ų79.818%0.18240%0.403CS..  trans-73.9100.4176-171.70000112.2F232 Y233 R240 H248F232-C238 HydrophobicContact CB-CB 3.97Å; F232-C238 PolarHBondContact O-N 3.15Å; F232-C238 VanDerWaalsContact O-N 3.09Å; Y233-C238 HydrophobicContact CD2-CB 4.34Å; C238-R240 PolarHBondContact O-N 2.86Å; C238-H248 PolarHBondContact SG-CE1 3.34Å; C238-H248 PolarHBondContact SG-NE2 3.38Å
239T86.9Confident83.7Confident143 Ų14378.7 Ų78.788%0.87740%0.4SS*.THydrogen-bonded Turntrans-71.7-4.5175.155.70000114.6Y237Y237-T239 PolarHBondContact O-N 2.86Å; Y237-T239 VanDerWaalsContact O-N 3.11Å
240R81.1Confident83.7Confident146 Ų14681.7 Ų81.755%0.55141%0.413SS*.THydrogen-bonded Turntrans-91.1-17.2-177.9-69.4-166.6169.8173.7-1.4114.8C238 E242 N243 C244C238-R240 PolarHBondContact O-N 2.86Å; R240-E242 PolarHBondContact O-N 3.21Å; R240-N243 WeakPolarHBondContact O-CA 3.47Å; R240-N243 WeakPolarHBondContact O-CB 3.43Å; R240-N243 PolarHBondContact O-N 3.33Å; R240-C244 HydrophobicContact CB-CB 4Å
241G80.3Confident83.6Confident34 Ų3482.2 Ų82.235%0.35142%0.415SS..G310 helixtrans49.2-134.7-178.600000112.2N243 C244 H248G241-N243 PolarHBondContact O-N 3.17Å; G241-N243 VanDerWaalsContact O-N 3.16Å; G241-C244 VanDerWaalsContact O-CB 3.28Å; G241-C244 WeakPolarHBondContact O-CB 3.49Å; G241-C244 PolarHBondContact O-N 2.99Å; G241-C244 VanDerWaalsContact O-N 3.07Å; G241-H248 PolarHBondContact O-CE1 3.18Å; G241-H248 PolarHBondContact O-ND1 2.77Å
242E74.3Confident83.6Confident181 Ų18174.8 Ų74.885%0.84638%0.384SS*.G310 helixtrans-61.1-20.8177.7-64.2164.8-16600114.3R240 C244R240-E242 PolarHBondContact O-N 3.21Å; E242-C244 PolarHBondContact O-N 3.41Å
243N75Confident83.7Confident98 Ų9869.4 Ų69.452%0.52436%0.36SS..G310 helixtrans-85.614.2176.1-75.9-105000112.7R207 R240 G241R207-N243 PolarHBondContact NH2-OD1 3.18Å; R207-N243 VanDerWaalsContact NH2-OD1 3.17Å; R240-N243 WeakPolarHBondContact O-CA 3.47Å; R240-N243 WeakPolarHBondContact O-CB 3.43Å; R240-N243 PolarHBondContact O-N 3.33Å; G241-N243 PolarHBondContact O-N 3.17Å; G241-N243 VanDerWaalsContact O-N 3.16Å
244C83.4Confident83.7Confident11 Ų1169.1 Ų69.17%0.07436%0.36CS..  trans-70.8145.4175.5-162.30000111.6C230 R240 G241 E242 Y246 H248C230-C244 PolarHBondContact SG-SG 3.32Å; R240-C244 HydrophobicContact CB-CB 4Å; G241-C244 VanDerWaalsContact O-CB 3.28Å; G241-C244 WeakPolarHBondContact O-CB 3.49Å; G241-C244 PolarHBondContact O-N 2.99Å; G241-C244 VanDerWaalsContact O-N 3.07Å; E242-C244 PolarHBondContact O-N 3.41Å; C244-Y246 PolarHBondContact O-N 3.08Å; C244-H248 VanDerWaalsContact CB-NE2 3.26Å; C244-H248 WeakPolarHBondContact CB-NE2 3.44Å; C244-H248 PolarHBondContact SG-NE2 3.38Å
245L79.8Confident83.8Confident67 Ų6772 Ų7235%0.35137%0.369SS..SBendtrans-77.1-2.5174.6-58.3-176.4000113I223 K226I223-L245 HydrophobicContact CD1-CD2 4.45Å; I223-L245 HydrophobicContact CG2-CD2 3.93Å; K226-L245 WeakPolarHBondContact CB-O 3.48Å; K226-L245 PolarHBondContact N-O 2.95Å
246Y82.7Confident83.8Confident79 Ų7972 Ų7231%0.3137%0.365SS..EExtended strand (participates in β ladder)trans-127.7151.9-172.5-68.4-85.5000109.3K226 E228 C230 C244K226-Y246 HydrophobicContact CB-CD1 4.02Å; K226-Y246 HydrophobicContact CB-CE1 4.2Å; K226-Y246 HydrophobicContact CD-CD1 4.13Å; K226-Y246 HydrophobicContact CD-CE1 3.51Å; K226-Y246 PolarHBondContact NZ-OH 3.38Å; E228-Y246 HydrophobicContact CB-CD1 3.89Å; E228-Y246 HydrophobicContact CB-CE1 4.11Å; E228-Y246 VanDerWaalsContact OE2-CE1 3.31Å; E228-Y246 WeakPolarHBondContact OE2-CE1 3.41Å; C230-Y246 VanDerWaalsContact CB-CB 3.48Å; C230-Y246 HydrophobicContact CB-CG 4.41Å; C244-Y246 PolarHBondContact O-N 3.08Å
247L83.2Confident83.8Confident26 Ų2671.3 Ų71.314%0.13634%0.344CS..EExtended strand (participates in β ladder)trans-66.5138.3-179.6-65.8171.2000111.8K225 E228 C230 E250 Y251 L282K225-L247 HydrophobicContact CB-CD2 4.47Å; E228-L247 PolarHBondContact O-N 3.42Å; E228-L247 VanDerWaalsContact O-N 3.07Å; C230-L247 WeakPolarHBondContact CB-O 3.28Å; C230-L247 PolarHBondContact N-O 3.47Å; L247-E250 HydrophobicContact CD2-CB 4.37Å; L247-Y251 HydrophobicContact CB-CD2 4.3Å; L247-Y251 HydrophobicContact CD1-CD2 3.99Å; L247-L282 HydrophobicContact CD1-CD1 3.79Å
248H84.2Confident83.6Confident22 Ų2269.3 Ų69.310%0.10234%0.344CS..  trans-103.6-127.8171.6-70.8-173.8000108.7C230 Y233 C238 G241 C244 E250 Y251C230-H248 VanDerWaalsContact CB-CD2 3.41Å; C230-H248 WeakPolarHBondContact CB-CD2 3.41Å; C230-H248 PolarHBondContact SG-NE2 3.47Å; Y233-H248 HydrophobicContact CD1-CB 3.86Å; Y233-H248 AromaticContact CD1-CG 3.97Å; Y233-H248 HydrophobicContact CD2-CB 4.18Å; Y233-H248 AromaticContact CD2-CD2 3.87Å; Y233-H248 AromaticContact CD2-CE1 3.64Å; Y233-H248 AromaticContact CD2-CG 3.62Å; Y233-H248 AromaticContact CD2-ND1 3.48Å; Y233-H248 WeakPolarHBondContact CD2-ND1 3.47Å; Y233-H248 AromaticContact CD2-NE2 3.88Å; Y233-H248 HydrophobicContact CE1-CB 3.92Å; Y233-H248 HydrophobicContact CE2-CB 4.24Å; Y233-H248 AromaticContact CE2-ND1 3.85Å; Y233-H248 HydrophobicContact CG-CB 4.02Å; Y233-H248 AromaticContact CG-CD2 3.54Å; Y233-H248 AromaticContact CG-CG 3.6Å; Y233-H248 AromaticContact CG-ND1 3.95Å; Y233-H248 AromaticContact CG-NE2 3.86Å; C238-H248 PolarHBondContact SG-CE1 3.34Å; C238-H248 PolarHBondContact SG-NE2 3.38Å; G241-H248 PolarHBondContact O-CE1 3.18Å; G241-H248 PolarHBondContact O-ND1 2.77Å; C244-H248 VanDerWaalsContact CB-NE2 3.26Å; C244-H248 WeakPolarHBondContact CB-NE2 3.44Å; C244-H248 PolarHBondContact SG-NE2 3.38Å; H248-E250 PolarHBondContact O-N 3.14Å; H248-Y251 PolarHBondContact O-N 3.19Å
249N79.8Confident83.3Confident78 Ų7871.4 Ų71.442%0.41737%0.371SS..THydrogen-bonded Turntrans-57.1-20.8-174.8-73.4-29.7000114.9Y233 Y251 S271Y233-N249 WeakPolarHBondContact CE1-OD1 3.38Å; Y233-N249 VanDerWaalsContact OH-CG 3.28Å; Y233-N249 PolarHBondContact OH-ND2 3.12Å; Y233-N249 VanDerWaalsContact OH-ND2 3.14Å; Y233-N249 PolarHBondContact OH-OD1 3.14Å; N249-Y251 PolarHBondContact O-N 3.46Å; N249-S271 VanDerWaalsContact O-CB 3.25Å; N249-S271 WeakPolarHBondContact O-CB 3.27Å; N249-S271 PolarHBondContact O-N 3.27Å; N249-S271 VanDerWaalsContact O-N 3.11Å
250E82.1Confident83.2Confident118 Ų11868 Ų6855%0.55135%0.349SS*.THydrogen-bonded Turntrans-61.5-22.1172.6-72.566.6-143.500113.4L247 H248 P252 S271L247-E250 HydrophobicContact CD2-CB 4.37Å; H248-E250 PolarHBondContact O-N 3.14Å; E250-P252 WeakPolarHBondContact O-CD 3.47Å; E250-S271 PolarHBondContact O-OG 3.33Å
251Y84.8Confident83.4Confident12 Ų1269.6 Ų69.65%0.04736%0.361CS..SBendtrans-67.2123-176.4-162.3-78.8000111M229 L247 H248 N249 F270 S271 L282 V286M229-Y251 HydrophobicContact CB-CD2 3.95Å; M229-Y251 HydrophobicContact CB-CE2 4.3Å; M229-Y251 HydrophobicContact CB-CG 4.18Å; M229-Y251 HydrophobicContact CE-CD1 3.16Å; M229-Y251 HydrophobicContact CE-CD2 4.34Å; M229-Y251 HydrophobicContact CE-CE1 3.56Å; M229-Y251 HydrophobicContact CE-CG 3.61Å; M229-Y251 HydrophobicContact CG-CG 4.47Å; L247-Y251 HydrophobicContact CB-CD2 4.3Å; L247-Y251 HydrophobicContact CD1-CD2 3.99Å; H248-Y251 PolarHBondContact O-N 3.19Å; N249-Y251 PolarHBondContact O-N 3.46Å; Y251-F270 CarbonylContact O-C 3.57Å; Y251-F270 WeakPolarHBondContact O-CA 3.47Å; Y251-F270 VanDerWaalsContact O-CB 3.28Å; Y251-F270 WeakPolarHBondContact O-CB 3.47Å; Y251-S271 PolarHBondContact O-N 2.81Å; Y251-S271 PolarHBondContact O-OG 3.1Å; Y251-L282 HydrophobicContact CE2-CB 4.27Å; Y251-L282 HydrophobicContact CE2-CD1 4.48Å; Y251-L282 PolarHBondContact OH-O 3.12Å; Y251-V286 WeakPolarHBondContact OH-CG2 3.46Å
252P86.9Confident83.8Confident2 Ų269 Ų691%0.01335%0.35CS..BIsolated β-bridgetrans-65141.8-172.826-37.2000114.3E250 K254 S271 L275 L283E250-P252 WeakPolarHBondContact O-CD 3.47Å; P252-K254 PolarHBondContact O-N 3.21Å; P252-S271 VanDerWaalsContact CA-OG 3.26Å; P252-S271 WeakPolarHBondContact CA-OG 3.37Å; P252-L275 HydrophobicContact CB-CD2 3.48Å; P252-L275 VanDerWaalsContact CB-CD2 3.48Å; P252-L275 HydrophobicContact CG-CD2 4.15Å; P252-L283 HydrophobicContact CB-CD1 3.99Å; P252-L283 HydrophobicContact CB-CD2 3.93Å; P252-L283 HydrophobicContact CB-CG 3.85Å; P252-L283 HydrophobicContact CG-CD1 4.19Å; P252-L283 HydrophobicContact CG-CD2 3.67Å; P252-L283 HydrophobicContact CG-CG 3.52Å; P252-L283 WeakPolarHBondContact O-CD2 3.36Å
253C88.3Confident84.4Confident0 Ų070.6 Ų70.60%035%0.35CS..  trans-73.4110179.4-177.10000111.5F255 Y256 H257 F270 S271 H272C253-F255 VanDerWaalsContact C-N 3.29Å; C253-F255 PolarHBondContact O-N 3.39Å; C253-Y256 PolarHBondContact O-N 3.27Å; C253-H257 PolarHBondContact O-CD2 3.16Å; C253-H257 VanDerWaalsContact O-CD2 3.24Å; C253-H257 PolarHBondContact O-N 3.24Å; C253-H257 VanDerWaalsContact O-N 3.16Å; C253-F270 HydrophobicContact CB-CB 3.73Å; C253-S271 VanDerWaalsContact CB-O 3.28Å; C253-S271 WeakPolarHBondContact CB-O 3.09Å; C253-S271 PolarHBondContact N-O 3.2Å; C253-H272 WeakPolarHBondContact CB-CD2 3.47Å; C253-H272 PolarHBondContact SG-NE2 2.61Å; C253-H272 VanDerWaalsContact SG-NE2 3.38Å
254K87.5Confident84.9Confident60 Ų6070.6 Ų70.626%0.26135%0.347SS..Hα-helixtrans-47.3-50.1173.7178.6178.8175.6-177.90112P252 T258 L287 E290P252-K254 PolarHBondContact O-N 3.21Å; K254-T258 WeakPolarHBondContact O-CB 3.36Å; K254-T258 PolarHBondContact O-N 3.02Å; K254-T258 PolarHBondContact O-OG1 2.66Å; K254-L287 HydrophobicContact CD-CD2 4.19Å; K254-L287 HydrophobicContact CG-CD2 4.09Å; K254-E290 IonicContact NZ-OE1 2.86Å; K254-E290 PolarHBondContact NZ-OE1 3.25Å; K254-E290 IonicContact NZ-OE2 3.75Å; K254-E290 PolarHBondContact NZ-OE2 3.02Å
255F87.4Confident84.9Confident102 Ų10271.7 Ų71.745%0.44736%0.36SS..Hα-helixtrans-63.5-54.3-174.8-64.8-75000111.8C253 H257 T258 G259 T260 C262C253-F255 VanDerWaalsContact C-N 3.29Å; C253-F255 PolarHBondContact O-N 3.39Å; F255-H257 VanDerWaalsContact C-N 3.33Å; F255-H257 PolarHBondContact O-N 3.31Å; F255-T258 PolarHBondContact O-N 3.23Å; F255-G259 PolarHBondContact O-N 3.36Å; F255-T260 CarbonylContact C-O 3.43Å; F255-T260 VanDerWaalsContact C-OG1 3.3Å; F255-T260 WeakPolarHBondContact CA-OG1 3.46Å; F255-T260 WeakPolarHBondContact CB-OG1 3.39Å; F255-T260 CarbonylContact O-C 3.58Å; F255-T260 PolarHBondContact O-N 3.22Å; F255-T260 VanDerWaalsContact O-N 3.1Å; F255-T260 PolarHBondContact O-OG1 3.31Å; F255-C262 HydrophobicContact CB-CB 4.42Å
256Y86.9Confident85Confident120 Ų12077.5 Ų77.547%0.47139%0.386SS..Hα-helixtrans-55.9-44.3-177.5-176.4-106.4000112.5C253 H272C253-Y256 PolarHBondContact O-N 3.27Å; Y256-H272 VanDerWaalsContact CB-CD2 3.46Å; Y256-H272 WeakPolarHBondContact CB-CD2 3.45Å; Y256-H272 HydrophobicContact CD1-CB 4Å; Y256-H272 AromaticContact CD1-CD2 3.85Å; Y256-H272 HydrophobicContact CD2-CB 4.48Å; Y256-H272 AromaticContact CD2-CD2 3.94Å; Y256-H272 HydrophobicContact CE1-CB 3.9Å; Y256-H272 WeakPolarHBondContact CE1-O 3.47Å; Y256-H272 HydrophobicContact CE2-CB 4.4Å; Y256-H272 HydrophobicContact CG-CB 4.3Å; Y256-H272 AromaticContact CG-CD2 3.49Å; Y256-H272 VanDerWaalsContact CG-CD2 3.49Å; Y256-H272 AromaticContact CG-CG 3.98Å
257H86Confident85Confident53 Ų5383.6 Ų83.625%0.24541%0.409CS..Hα-helixtrans-85.5-16.5-178.9-62.7-65000114.9C253 F255 G259 A273 L275 L283C253-H257 PolarHBondContact O-CD2 3.16Å; C253-H257 VanDerWaalsContact O-CD2 3.24Å; C253-H257 PolarHBondContact O-N 3.24Å; C253-H257 VanDerWaalsContact O-N 3.16Å; F255-H257 VanDerWaalsContact C-N 3.33Å; F255-H257 PolarHBondContact O-N 3.31Å; H257-G259 PolarHBondContact O-N 3.01Å; H257-A273 PolarHBondContact CE1-O 3.22Å; H257-A273 VanDerWaalsContact CE1-O 3.25Å; H257-A273 PolarHBondContact NE2-O 3.3Å; H257-L275 HydrophobicContact CB-CD1 3.98Å; H257-L283 HydrophobicContact CB-CD1 3.64Å
258T86.3Confident85.2Confident76 Ų7683.2 Ų83.247%0.46641%0.409SS..THydrogen-bonded Turntrans-85.17.5173.6-48.70000111.9K254 F255 T260K254-T258 WeakPolarHBondContact O-CB 3.36Å; K254-T258 PolarHBondContact O-N 3.02Å; K254-T258 PolarHBondContact O-OG1 2.66Å; F255-T258 PolarHBondContact O-N 3.23Å; T258-T260 VanDerWaalsContact C-N 3.34Å
259G82Confident85.3Confident72 Ų7287.2 Ų87.274%0.74243%0.426SS*.THydrogen-bonded Turntrans83.25.217900000114.9F255 H257F255-G259 PolarHBondContact O-N 3.36Å; H257-G259 PolarHBondContact O-N 3.01Å
260T85.8Confident85.6Confident70 Ų7086.1 Ų86.143%0.42942%0.417SS..SBendtrans-94.9137.4173.253.10000110.6F255 T258 C262F255-T260 CarbonylContact C-O 3.43Å; F255-T260 VanDerWaalsContact C-OG1 3.3Å; F255-T260 WeakPolarHBondContact CA-OG1 3.46Å; F255-T260 WeakPolarHBondContact CB-OG1 3.39Å; F255-T260 CarbonylContact O-C 3.58Å; F255-T260 PolarHBondContact O-N 3.22Å; F255-T260 VanDerWaalsContact O-N 3.1Å; F255-T260 PolarHBondContact O-OG1 3.31Å; T258-T260 VanDerWaalsContact C-N 3.34Å; T260-C262 PolarHBondContact O-N 2.91Å
261K84.8Confident85.9Confident181 Ų18181.7 Ų81.779%0.78740%0.4SS*.  trans-63.5126.8177.5-66.2-177179.4-179.70110.1Y263K261-Y263 PolarHBondContact O-N 3.13Å
262C89Confident86Confident20 Ų2083.5 Ų83.514%0.13541%0.409CS..  trans-76.4114.8173.2175.50000109.9F255 T260 Q264 G265 C268 H272F255-C262 HydrophobicContact CB-CB 4.42Å; T260-C262 PolarHBondContact O-N 2.91Å; C262-Q264 PolarHBondContact O-N 3.05Å; C262-Q264 PolarHBondContact SG-OE1 3.39Å; C262-G265 PolarHBondContact O-N 3.05Å; C262-C268 VanDerWaalsContact SG-SG 3.65Å; C262-H272 WeakPolarHBondContact CB-NE2 3.44Å; C262-H272 VanDerWaalsContact SG-CE1 3.54Å; C262-H272 PolarHBondContact SG-NE2 2.98Å; C262-H272 VanDerWaalsContact SG-NE2 3.38Å
263Y87.3Confident85.9Confident215 Ų21586.1 Ų86.184%0.84343%0.43SS*.THydrogen-bonded Turntrans-71.9-15.2-179.6-61.2-73.8000113.8K261 G265K261-Y263 PolarHBondContact O-N 3.13Å; Y263-G265 VanDerWaalsContact C-N 3.34Å
264Q84.5Confident85.7Confident99 Ų9991.9 Ų91.946%0.46347%0.468SS..THydrogen-bonded Turntrans-79.5-15.6177.3-64.675.61600113C262 E266 Y267 C268C262-Q264 PolarHBondContact O-N 3.05Å; C262-Q264 PolarHBondContact SG-OE1 3.39Å; Q264-E266 PolarHBondContact O-N 3.41Å; Q264-Y267 CarbonylContact O-C 3.12Å; Q264-Y267 WeakPolarHBondContact O-CA 3.48Å; Q264-Y267 PolarHBondContact O-N 3.45Å; Q264-C268 HydrophobicContact CB-CB 4Å
265G84Confident85.4Confident34 Ų3491.8 Ų91.835%0.35147%0.47SS..G310 helixtrans53.8-125.4176.600000112.9C262 Y263 Y267 C268 H272C262-G265 PolarHBondContact O-N 3.05Å; Y263-G265 VanDerWaalsContact C-N 3.34Å; G265-Y267 VanDerWaalsContact C-N 3.3Å; G265-Y267 PolarHBondContact O-N 3.43Å; G265-C268 WeakPolarHBondContact O-CB 3.18Å; G265-C268 PolarHBondContact O-N 3.32Å; G265-H272 PolarHBondContact O-CE1 3.43Å; G265-H272 PolarHBondContact O-ND1 3.49Å
266E81Confident85.3Confident189 Ų18990.5 Ų90.588%0.88347%0.47SS*.G310 helixtrans-72.6-20177.8-60.2-178.2169.300113.5Q264 C268Q264-E266 PolarHBondContact O-N 3.41Å; E266-C268 PolarHBondContact O-N 3.05Å
267Y83.4Confident85.2Confident206 Ų20689.9 Ų89.981%0.80848%0.481SS*.G310 helixtrans-8915.5176.2-55.9-75000112.8Q264 G265 K269Q264-Y267 CarbonylContact O-C 3.12Å; Q264-Y267 WeakPolarHBondContact O-CA 3.48Å; Q264-Y267 PolarHBondContact O-N 3.45Å; G265-Y267 VanDerWaalsContact C-N 3.3Å; G265-Y267 PolarHBondContact O-N 3.43Å; Y267-K269 PolarHBondContact O-N 3.01Å
268C88.1Confident84.9Confident18 Ų1892.8 Ų92.812%0.12250%0.495CS..  trans-65.6131.2175.1-166.20000110.7C262 Q264 G265 E266 F270 H272C262-C268 VanDerWaalsContact SG-SG 3.65Å; Q264-C268 HydrophobicContact CB-CB 4Å; G265-C268 WeakPolarHBondContact O-CB 3.18Å; G265-C268 PolarHBondContact O-N 3.32Å; E266-C268 PolarHBondContact O-N 3.05Å; C268-F270 PolarHBondContact O-N 3.35Å; C268-F270 VanDerWaalsContact O-N 3.15Å; C268-F270 PolarHBondContact SG-O 3.38Å; C268-H272 VanDerWaalsContact CB-CE1 3.46Å; C268-H272 WeakPolarHBondContact CB-CE1 3.34Å; C268-H272 PolarHBondContact SG-NE2 2.89Å
269K84.4Confident84.8Confident106 Ų10690.6 Ų90.646%0.46148%0.481SS..SBendtrans-75.77.1175.9-62.1-179.7175.4178.40113.3V234 Y267V234-K269 PolarHBondContact O-NZ 3Å; Y267-K269 PolarHBondContact O-N 3.01Å
270F86.9Confident84.9Confident55 Ų5592.7 Ų92.724%0.24147%0.472CS..SBendtrans-134.9148.8-172.5-51.3-48.8000108.9M229 V234 Y251 C253 C268M229-F270 HydrophobicContact CE-CD1 3.63Å; M229-F270 HydrophobicContact CE-CE1 3.19Å; M229-F270 HydrophobicContact CE-CZ 3.85Å; M229-F270 HydrophobicContact SD-CD1 4.39Å; M229-F270 HydrophobicContact SD-CE1 3.47Å; M229-F270 WeakPolarHBondContact SD-CE1 3.49Å; M229-F270 HydrophobicContact SD-CZ 4.02Å; V234-F270 HydrophobicContact CG2-CE1 4.32Å; Y251-F270 CarbonylContact O-C 3.57Å; Y251-F270 WeakPolarHBondContact O-CA 3.47Å; Y251-F270 VanDerWaalsContact O-CB 3.28Å; Y251-F270 WeakPolarHBondContact O-CB 3.47Å; C253-F270 HydrophobicContact CB-CB 3.73Å; C268-F270 PolarHBondContact O-N 3.35Å; C268-F270 VanDerWaalsContact O-N 3.15Å; C268-F270 PolarHBondContact SG-O 3.38Å
271S87.4Confident84.8Confident25 Ų2594 Ų9418%0.17547%0.473CS..BIsolated β-bridgetrans-67.9136-17853.60000111.9N249 E250 Y251 P252 C253N249-S271 VanDerWaalsContact O-CB 3.25Å; N249-S271 WeakPolarHBondContact O-CB 3.27Å; N249-S271 PolarHBondContact O-N 3.27Å; N249-S271 VanDerWaalsContact O-N 3.11Å; E250-S271 PolarHBondContact O-OG 3.33Å; Y251-S271 PolarHBondContact O-N 2.81Å; Y251-S271 PolarHBondContact O-OG 3.1Å; P252-S271 VanDerWaalsContact CA-OG 3.26Å; P252-S271 WeakPolarHBondContact CA-OG 3.37Å; C253-S271 VanDerWaalsContact CB-O 3.28Å; C253-S271 WeakPolarHBondContact CB-O 3.09Å; C253-S271 PolarHBondContact N-O 3.2Å
272H88Confident84.8Confident51 Ų5185.9 Ų85.924%0.23644%0.438CS..  trans-99.69.2163.2-65.4158.6000111.9C253 Y256 C262 G265 C268C253-H272 WeakPolarHBondContact CB-CD2 3.47Å; C253-H272 PolarHBondContact SG-NE2 2.61Å; C253-H272 VanDerWaalsContact SG-NE2 3.38Å; Y256-H272 VanDerWaalsContact CB-CD2 3.46Å; Y256-H272 WeakPolarHBondContact CB-CD2 3.45Å; Y256-H272 HydrophobicContact CD1-CB 4Å; Y256-H272 AromaticContact CD1-CD2 3.85Å; Y256-H272 HydrophobicContact CD2-CB 4.48Å; Y256-H272 AromaticContact CD2-CD2 3.94Å; Y256-H272 HydrophobicContact CE1-CB 3.9Å; Y256-H272 WeakPolarHBondContact CE1-O 3.47Å; Y256-H272 HydrophobicContact CE2-CB 4.4Å; Y256-H272 HydrophobicContact CG-CB 4.3Å; Y256-H272 AromaticContact CG-CD2 3.49Å; Y256-H272 VanDerWaalsContact CG-CD2 3.49Å; Y256-H272 AromaticContact CG-CG 3.98Å; C262-H272 WeakPolarHBondContact CB-NE2 3.44Å; C262-H272 VanDerWaalsContact SG-CE1 3.54Å; C262-H272 PolarHBondContact SG-NE2 2.98Å; C262-H272 VanDerWaalsContact SG-NE2 3.38Å; G265-H272 PolarHBondContact O-CE1 3.43Å; G265-H272 PolarHBondContact O-ND1 3.49Å; C268-H272 VanDerWaalsContact CB-CE1 3.46Å; C268-H272 WeakPolarHBondContact CB-CE1 3.34Å; C268-H272 PolarHBondContact SG-NE2 2.89Å
273A85.2Confident84.6Confident57 Ų5785.6 Ų85.647%0.47144%0.435SS..SBendtrans-62.9152174.800000110.7H257 L275H257-A273 PolarHBondContact CE1-O 3.22Å; H257-A273 VanDerWaalsContact CE1-O 3.25Å; H257-A273 PolarHBondContact NE2-O 3.3Å; A273-L275 PolarHBondContact O-N 3.17Å
274P83.8Confident84.5Confident121 Ų12177.4 Ų77.479%0.78641%0.412SS*.PPolyproline II helixtrans-53.4136.3172.9-25.334.8000111.5T276P274-T276 PolarHBondContact O-N 2.95Å
275L81.6Confident84.5Confident57 Ų5777.6 Ų77.630%0.29841%0.411SS..PPolyproline II helixtrans-66.6126.7-179.4-67.3171.5000110.9P252 H257 A273 Q280 L283P252-L275 HydrophobicContact CB-CD2 3.48Å; P252-L275 VanDerWaalsContact CB-CD2 3.48Å; P252-L275 HydrophobicContact CG-CD2 4.15Å; H257-L275 HydrophobicContact CB-CD1 3.98Å; A273-L275 PolarHBondContact O-N 3.17Å; L275-Q280 HydrophobicContact CB-CB 4.24Å; L275-Q280 HydrophobicContact CD1-CB 4.26Å; L275-Q280 HydrophobicContact CD1-CG 4.23Å; L275-L283 HydrophobicContact CD1-CD1 3.76Å; L275-L283 HydrophobicContact CD2-CD1 3.71Å; L275-L283 HydrophobicContact CD2-CG 4.44Å; L275-L283 HydrophobicContact CG-CD1 4.38Å
276T85.4Confident84.4Confident75 Ų7578.5 Ų78.546%0.4641%0.41SS..PPolyproline II helixtrans-77.4155.7159.860.60000109.5P274 E278 T279 Q280P274-T276 PolarHBondContact O-N 2.95Å; T276-E278 PolarHBondContact O-N 2.79Å; T276-E278 VanDerWaalsContact O-N 3.15Å; T276-T279 PolarHBondContact N-OG1 3.41Å; T276-T279 PolarHBondContact O-N 3.32Å; T276-T279 PolarHBondContact O-OG1 3.07Å; T276-T279 WeakPolarHBondContact OG1-CG2 3.46Å; T276-T279 PolarHBondContact OG1-N 3.21Å; T276-T279 PolarHBondContact OG1-OG1 3.11Å; T276-Q280 PolarHBondContact O-N 2.99Å
277P83.4Confident84.5Confident108 Ų10871.4 Ų71.470%0.70138%0.378SS*.Hα-helixtrans-55.9-3517920.8-33.4000112.7E281P277-E281 PolarHBondContact O-N 3.07Å
278E80.9Confident84.4Confident114 Ų11465.3 Ų65.353%0.53336%0.359SS..Hα-helixtrans-64.9-47.4174.4-66.4-159.4-150.700112.9K227 T276 Q280 E281 L282K227-E278 IonicContact NZ-OE2 2.61Å; K227-E278 PolarHBondContact NZ-OE2 3.02Å; T276-E278 PolarHBondContact O-N 2.79Å; T276-E278 VanDerWaalsContact O-N 3.15Å; E278-Q280 VanDerWaalsContact C-N 3.35Å; E278-E281 WeakPolarHBondContact O-CB 3.2Å; E278-E281 PolarHBondContact O-N 3.24Å; E278-L282 WeakPolarHBondContact O-CG 3.18Å; E278-L282 PolarHBondContact O-N 3.38Å
279T82.9Confident83.9Confident30 Ų3068.9 Ų68.918%0.18438%0.381CS..Hα-helixtrans-70.7-31.9-178.251.30000112.2T276 E281 L282 L283T276-T279 PolarHBondContact N-OG1 3.41Å; T276-T279 PolarHBondContact O-N 3.32Å; T276-T279 PolarHBondContact O-OG1 3.07Å; T276-T279 WeakPolarHBondContact OG1-CG2 3.46Å; T276-T279 PolarHBondContact OG1-N 3.21Å; T276-T279 PolarHBondContact OG1-OG1 3.11Å; T279-E281 VanDerWaalsContact C-N 3.34Å; T279-E281 PolarHBondContact O-N 2.99Å; T279-L282 WeakPolarHBondContact O-CB 3.36Å; T279-L282 PolarHBondContact O-N 3.42Å; T279-L283 PolarHBondContact O-N 3.34Å; T279-L283 VanDerWaalsContact O-N 3.15Å
280Q83.9Confident83Confident116 Ų11669.6 Ų69.654%0.54239%0.386SS..Hα-helixtrans-61.1-41171.7-171.4175.97.900112.1L275 T276 E278 L282 L283 A284L275-Q280 HydrophobicContact CB-CB 4.24Å; L275-Q280 HydrophobicContact CD1-CB 4.26Å; L275-Q280 HydrophobicContact CD1-CG 4.23Å; T276-Q280 PolarHBondContact O-N 2.99Å; E278-Q280 VanDerWaalsContact C-N 3.35Å; Q280-L282 VanDerWaalsContact C-N 3.26Å; Q280-L282 PolarHBondContact O-N 3.39Å; Q280-L283 PolarHBondContact O-N 3.13Å; Q280-A284 PolarHBondContact O-N 3.16Å
281E85.7Confident82.1Confident97 Ų9775.9 Ų75.945%0.45341%0.407SS..Hα-helixtrans-62.7-33.3175.9-155.2-154.6175.400111.9P277 E278 T279 K285P277-E281 PolarHBondContact O-N 3.07Å; E278-E281 WeakPolarHBondContact O-CB 3.2Å; E278-E281 PolarHBondContact O-N 3.24Å; T279-E281 VanDerWaalsContact C-N 3.34Å; T279-E281 PolarHBondContact O-N 2.99Å; E281-K285 VanDerWaalsContact CD-CE 3.46Å; E281-K285 WeakPolarHBondContact O-CB 3.37Å; E281-K285 WeakPolarHBondContact O-CD 3.42Å; E281-K285 VanDerWaalsContact O-CG 3.27Å; E281-K285 WeakPolarHBondContact O-CG 3.39Å; E281-K285 PolarHBondContact O-N 3.43Å; E281-K285 WeakPolarHBondContact OE1-CE 3.32Å; E281-K285 IonicContact OE1-NZ 2.79Å; E281-K285 PolarHBondContact OE1-NZ 3.16Å; E281-K285 IonicContact OE2-NZ 3.58Å; E281-K285 PolarHBondContact OE2-NZ 2.61Å
282L83.4Confident80.5Confident11 Ų1182.3 Ų82.36%0.05843%0.432CS..Hα-helixtrans-70.8-40.3177.2-52.5-178000112.5K227 L247 Y251 E278 T279 Q280 V286K227-L282 HydrophobicContact CB-CD1 3.73Å; K227-L282 HydrophobicContact CB-CD2 3.4Å; K227-L282 VanDerWaalsContact CB-CD2 3.4Å; K227-L282 HydrophobicContact CB-CG 4.19Å; K227-L282 HydrophobicContact CD-CD2 3.96Å; K227-L282 HydrophobicContact CG-CD2 4.29Å; L247-L282 HydrophobicContact CD1-CD1 3.79Å; Y251-L282 HydrophobicContact CE2-CB 4.27Å; Y251-L282 HydrophobicContact CE2-CD1 4.48Å; Y251-L282 PolarHBondContact OH-O 3.12Å; E278-L282 WeakPolarHBondContact O-CG 3.18Å; E278-L282 PolarHBondContact O-N 3.38Å; T279-L282 WeakPolarHBondContact O-CB 3.36Å; T279-L282 PolarHBondContact O-N 3.42Å; Q280-L282 VanDerWaalsContact C-N 3.26Å; Q280-L282 PolarHBondContact O-N 3.39Å; L282-V286 PolarHBondContact O-N 2.71Å
283L84.8Confident78.7Confident14 Ų1485 Ų857%0.07345%0.454CS..Hα-helixtrans-60-49.9171.3-76.3-176.2000111.1P252 H257 L275 T279 Q280 K285 V286 L287P252-L283 HydrophobicContact CB-CD1 3.99Å; P252-L283 HydrophobicContact CB-CD2 3.93Å; P252-L283 HydrophobicContact CB-CG 3.85Å; P252-L283 HydrophobicContact CG-CD1 4.19Å; P252-L283 HydrophobicContact CG-CD2 3.67Å; P252-L283 HydrophobicContact CG-CG 3.52Å; P252-L283 WeakPolarHBondContact O-CD2 3.36Å; H257-L283 HydrophobicContact CB-CD1 3.64Å; L275-L283 HydrophobicContact CD1-CD1 3.76Å; L275-L283 HydrophobicContact CD2-CD1 3.71Å; L275-L283 HydrophobicContact CD2-CG 4.44Å; L275-L283 HydrophobicContact CG-CD1 4.38Å; T279-L283 PolarHBondContact O-N 3.34Å; T279-L283 VanDerWaalsContact O-N 3.15Å; Q280-L283 PolarHBondContact O-N 3.13Å; L283-K285 VanDerWaalsContact C-N 3.34Å; L283-K285 PolarHBondContact O-N 3.46Å; L283-V286 PolarHBondContact O-N 3.35Å; L283-V286 VanDerWaalsContact O-N 3.17Å; L283-L287 WeakPolarHBondContact O-CG 3.07Å; L283-L287 PolarHBondContact O-N 3.32Å
284A85.8Confident76.9Confident42 Ų4288.6 Ų88.635%0.34748%0.475SS..Hα-helixtrans-56.6-48.8-178.900000111.1Q280 V286 L287 D288Q280-A284 PolarHBondContact O-N 3.16Å; A284-V286 VanDerWaalsContact C-N 3.32Å; A284-V286 PolarHBondContact O-N 3.19Å; A284-L287 PolarHBondContact O-N 3.38Å; A284-D288 WeakPolarHBondContact O-CB 3.41Å; A284-D288 PolarHBondContact O-N 3.44Å
285K84.9Confident74.9Confident103 Ų10396.1 Ų96.145%0.44850%0.495SS..Hα-helixtrans-54.8-43.6176.3-76.2166.7-178167.20112.9E281 L283 T289E281-K285 VanDerWaalsContact CD-CE 3.46Å; E281-K285 WeakPolarHBondContact O-CB 3.37Å; E281-K285 WeakPolarHBondContact O-CD 3.42Å; E281-K285 VanDerWaalsContact O-CG 3.27Å; E281-K285 WeakPolarHBondContact O-CG 3.39Å; E281-K285 PolarHBondContact O-N 3.43Å; E281-K285 WeakPolarHBondContact OE1-CE 3.32Å; E281-K285 IonicContact OE1-NZ 2.79Å; E281-K285 PolarHBondContact OE1-NZ 3.16Å; E281-K285 IonicContact OE2-NZ 3.58Å; E281-K285 PolarHBondContact OE2-NZ 2.61Å; L283-K285 VanDerWaalsContact C-N 3.34Å; L283-K285 PolarHBondContact O-N 3.46Å; K285-T289 WeakPolarHBondContact O-CG2 3.42Å; K285-T289 PolarHBondContact O-N 2.89Å; K285-T289 PolarHBondContact O-OG1 2.97Å
286V80.9Confident74.5Confident53 Ų5398.1 Ų98.132%0.32151%0.505SS..Hα-helixtrans-69.9-44.1178.9169.50000111.9Y251 L282 L283 A284 D288 T289 E290Y251-V286 WeakPolarHBondContact OH-CG2 3.46Å; L282-V286 PolarHBondContact O-N 2.71Å; L283-V286 PolarHBondContact O-N 3.35Å; L283-V286 VanDerWaalsContact O-N 3.17Å; A284-V286 VanDerWaalsContact C-N 3.32Å; A284-V286 PolarHBondContact O-N 3.19Å; V286-D288 VanDerWaalsContact C-N 3.29Å; V286-D288 PolarHBondContact O-N 3.42Å; V286-T289 WeakPolarHBondContact CA-OG1 3.16Å; V286-T289 PolarHBondContact O-N 3.39Å; V286-T289 PolarHBondContact O-OG1 2.92Å; V286-E290 PolarHBondContact O-N 3.2Å; V286-E290 VanDerWaalsContact O-N 3.11Å
287L83.8Confident73.9Confident40 Ų4099.3 Ų99.321%0.20951%0.507CS..Hα-helixtrans-58.9-40.6175.9-68.6174.4000111.9K254 L283 A284 E290 R291K254-L287 HydrophobicContact CD-CD2 4.19Å; K254-L287 HydrophobicContact CG-CD2 4.09Å; L283-L287 WeakPolarHBondContact O-CG 3.07Å; L283-L287 PolarHBondContact O-N 3.32Å; A284-L287 PolarHBondContact O-N 3.38Å; L287-E290 PolarHBondContact O-N 3.08Å; L287-R291 VanDerWaalsContact O-CG 3.32Å; L287-R291 WeakPolarHBondContact O-CG 3.07Å; L287-R291 PolarHBondContact O-N 2.9Å; L287-R291 VanDerWaalsContact O-N 3.13Å
288D81.9Confident73.4Confident78 Ų7898.8 Ų98.842%0.41750%0.496SS..Hα-helixtrans-76-27.8179.5-68.7-25.5000113.2A284 V286 R291 K292A284-D288 WeakPolarHBondContact O-CB 3.41Å; A284-D288 PolarHBondContact O-N 3.44Å; V286-D288 VanDerWaalsContact C-N 3.29Å; V286-D288 PolarHBondContact O-N 3.42Å; D288-R291 IonicContact OD1-NH1 2.66Å; D288-K292 PolarHBondContact O-N 2.92Å
289T76.2Confident73Confident94 Ų9497.9 Ų97.958%0.57749%0.494SS*.Hα-helixtrans-68.9-37.117049.30000112.8K285 V286 R291 K292K285-T289 WeakPolarHBondContact O-CG2 3.42Å; K285-T289 PolarHBondContact O-N 2.89Å; K285-T289 PolarHBondContact O-OG1 2.97Å; V286-T289 WeakPolarHBondContact CA-OG1 3.16Å; V286-T289 PolarHBondContact O-N 3.39Å; V286-T289 PolarHBondContact O-OG1 2.92Å; T289-R291 VanDerWaalsContact C-N 3.35Å; T289-K292 PolarHBondContact O-N 3.19Å
290E65.6Low72.4Confident121 Ų121102.1 Ų102.157%0.56551%0.513SS*.Hα-helixtrans-71.5-29.9174.8-72.1-178-147.400112.6K254 V286 L287 K292K254-E290 IonicContact NZ-OE1 2.86Å; K254-E290 PolarHBondContact NZ-OE1 3.25Å; K254-E290 IonicContact NZ-OE2 3.75Å; K254-E290 PolarHBondContact NZ-OE2 3.02Å; V286-E290 PolarHBondContact O-N 3.2Å; V286-E290 VanDerWaalsContact O-N 3.11Å; L287-E290 PolarHBondContact O-N 3.08Å; E290-K292 PolarHBondContact O-N 3.4Å
291R67.6Low71.6Confident186 Ų186101.2 Ų101.270%0.70251%0.512SS*.THydrogen-bonded Turntrans-74.5-10.2174.3-74.2170.1172.6174.3-4.3114.3L287 D288 T289 P293L287-R291 VanDerWaalsContact O-CG 3.32Å; L287-R291 WeakPolarHBondContact O-CG 3.07Å; L287-R291 PolarHBondContact O-N 2.9Å; L287-R291 VanDerWaalsContact O-N 3.13Å; D288-R291 IonicContact OD1-NH1 2.66Å; T289-R291 VanDerWaalsContact C-N 3.35Å; R291-P293 WeakPolarHBondContact O-CD 3.19Å
292K53.9Low70.6Confident161 Ų161101.5 Ų101.570%0.752%0.516SS*.SBendtrans-9888.1170.5-74.9177.4-179.71740108.7D288 T289 E290 C294D288-K292 PolarHBondContact O-N 2.92Å; T289-K292 PolarHBondContact O-N 3.19Å; E290-K292 PolarHBondContact O-N 3.4Å; K292-C294 PolarHBondContact O-N 3.19Å
293P50.8Low69.6Low107 Ų107108.5 Ų108.570%0.69555%0.551SS**  trans-57.8138.117126.6-34.6000109.1R291 K295R291-P293 WeakPolarHBondContact O-CD 3.19Å; P293-K295 PolarHBondContact O-N 3.43Å
294C47.5Very low68.3Low133 Ų133116.3 Ų116.390%0.89959%0.591SS**  trans-54.8124.1166.4-62.50000108.4K292K292-C294 PolarHBondContact O-N 3.19Å
295K41Very low66.7Low278 Ų278123.1 Ų123.1100%1.20961%0.613SS**  trans-82.90165.9-73.1-174.3174.1-175.80109.8P293P293-K295 PolarHBondContact O-N 3.43Å

Retrieved 295 of 295 residues in 41.3 ms (Link to these results)