A0A087XF34_POEFO Loading...

Ubiquitin-conjugating enzyme E2Q-like protein 1

Probable E2 ubiquitin-protein ligase that catalyzes the covalent attachment of ubiquitin to target proteins. May facilitate the monoubiquitination and degradation of MTOR and CCNE1 through interaction with FBXW7.

AlphaFold DB , UniProt , Accession A0A087XF34, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 283 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
1M51.2Low47.5Very low197 Ų197131 Ų13197%0.9770%0.698SS**  0-74.60-66.1-47.8-164.400112.8T3 L4M1-T3 PolarHBondContact O-N 3.3Å; M1-L4 PolarHBondContact O-N 2.85Å
2A36.6Very low47.5Very low73 Ų73140.6 Ų140.660%0.60372%0.717SS**Hα-helixtrans-53.1-28.4-169.300000116.4L4A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.3Å
3T49.7Very low47.8Very low108 Ų108141.2 Ų141.266%0.66372%0.722SS**Hα-helixtrans-65.1-28.6-177.2-20.60000114.5M1M1-T3 PolarHBondContact O-N 3.3Å
4L48Very low47.5Very low130 Ų130144.6 Ų144.668%0.68173%0.733SS**Hα-helixtrans-75.7-37.1-174.9-166.265.1000112M1 A2 R6 K7M1-L4 PolarHBondContact O-N 2.85Å; A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.3Å; L4-R6 PolarHBondContact O-N 2.93Å; L4-K7 PolarHBondContact O-N 3.25Å; L4-K7 VanDerWaalsContact O-N 3.12Å
5L46.9Very low47.2Very low113 Ų113144.1 Ų144.159%0.59273%0.733SS**Hα-helixtrans-65-27178.7-65.7174.3000113K7L5-K7 PolarHBondContact O-N 3.48Å
6R47.4Very low46.5Very low186 Ų186149.1 Ų149.170%0.70274%0.74SS**G310 helixtrans-63.9-24.4174.4-73.7-179.5166.3148.3-7.2113.3L4L4-R6 PolarHBondContact O-N 2.93Å
7K49Very low45.9Very low193 Ų193148.9 Ų148.984%0.83974%0.742SS**G310 helixtrans-92.7-0.2-172.5-142.1173.9-176-178.30114.6L4 L5L4-K7 PolarHBondContact O-N 3.25Å; L4-K7 VanDerWaalsContact O-N 3.12Å; L5-K7 PolarHBondContact O-N 3.48Å
8I51.3Low45.6Very low110 Ų110147.8 Ų147.856%0.56475%0.745SS**G310 helixtrans-113.911.1-178.4-27.3-179.9000112.2L10I8-L10 PolarHBondContact O-N 3.35Å
9G48Very low45.3Very low68 Ų68149.7 Ų149.770%0.70175%0.751SS**SBendtrans66.8-6.2170.700000117.6I11G9-I11 VanDerWaalsContact C-N 3.26Å; G9-I11 PolarHBondContact O-N 3.16Å
10L51.5Low44.7Very low150 Ų150150.3 Ų150.379%0.78576%0.757SS**  trans-71.5-8-169.8-93.5157.3000115.9I8I8-L10 PolarHBondContact O-N 3.35Å
11I42.3Very low44.7Very low113 Ų113148.8 Ų148.858%0.57976%0.757SS**  trans-139.1112.5178-54.4178.1000109.5G9 L13G9-I11 VanDerWaalsContact C-N 3.26Å; G9-I11 PolarHBondContact O-N 3.16Å; I11-L13 HydrophobicContact CG2-CD1 4.35Å; I11-L13 HydrophobicContact CG2-CG 3.88Å
12R48.4Very low44.3Very low246 Ų246148.7 Ų148.793%0.92875%0.752SS**  trans-92.4103.4156.7-83.3-170177.2154.60.2108.9
13L50.3Low44.3Very low148 Ų148153.3 Ų153.378%0.77576%0.76SS**PPolyproline II helixtrans-94.7139.6152.9-71171.2000107.1I11 D15I11-L13 HydrophobicContact CG2-CD1 4.35Å; I11-L13 HydrophobicContact CG2-CG 3.88Å; L13-D15 PolarHBondContact O-N 3.3Å
14H44.8Very low43.6Very low189 Ų189154.5 Ų154.588%0.87576%0.758SS**PPolyproline II helixtrans-70.8121.5163.8-69.999.9000107.2
15D42.8Very low42.8Very low138 Ų138156.6 Ų156.674%0.73877%0.765SS**PPolyproline II helixtrans-63.2138.2159.7-88.4-65.3000108L13L13-D15 PolarHBondContact O-N 3.3Å
16R35.7Very low42Very low223 Ų223154.5 Ų154.584%0.84277%0.77SS**  trans-115.1102.5174.1-173.4177.379.41786106.9
17D36.6Very low41.3Very low146 Ų146151 Ų15178%0.78177%0.774SS**  trans-52.9145.5-179.3-59.3-77.3000111.8
18T40.2Very low40.5Very low130 Ų130148.9 Ų148.980%0.79877%0.771SS**  trans-146.8117.9162.6-58.10000105.8
19E39.3Very low39.7Very low183 Ų183153.1 Ų153.186%0.85579%0.786SS**  trans-79.8159.8-170.8-53.3-159.7121.500112.6
20D33.4Very low38.8Very low161 Ų161153.1 Ų153.186%0.86179%0.786SS**  trans-141.2147.2153.9-112.1-45.1000109.9
21P46Very low37.9Very low119 Ų119152.4 Ų152.477%0.77379%0.788SS**  trans-98.5176.7-153.238-38.1000117.1
22K41.3Very low37.5Very low195 Ų195157 Ų15785%0.84880%0.804SS**  trans-75.4147.5-170.6-55.5157.5-175.8164.90114.4
23H37.7Very low36.6Very low170 Ų170149.1 Ų149.179%0.78780%0.799SS**  trans-178.2149.2134.5-107.9-138.9000108.2
24H34.6Very low35.7Very low133 Ų133149.7 Ų149.762%0.61680%0.802SS**  cis-153.4161.8-2.6-15363.9000111
25Q32Very low35.2Very low175 Ų175148.6 Ų148.682%0.81880%0.797SS**  trans-4.6144.8154-169.3-178.682.900120.1
26G29.1Very low34.9Very low68 Ų68150.3 Ų150.370%0.70180%0.799SS**  cis157.7-179.5-5.400000114.6
27S32.2Very low34.7Very low114 Ų114146.2 Ų146.280%0.79779%0.793SS**  trans83.6110.2157.6-146.60000122.5
28L33.8Very low34.5Very low148 Ų148146 Ų14678%0.77579%0.792SS**  159.5151112.9-82.4-179.2000116.5
29K34.1Very low34.2Very low199 Ų199143.8 Ų143.887%0.86579%0.787SS**  trans-20.9154.2169.4-55.5162.9-178.8175.40119.2
30G29.4Very low33.9Very low68 Ų68141.3 Ų141.370%0.70178%0.78SS**  cis149172.3-5.300000115.1
31T32.7Very low34Very low135 Ų135142.1 Ų142.183%0.82878%0.775SS**  trans97108.7158.2-24.60000122.5
32K33.2Very low33.3Very low210 Ų210143.2 Ų143.291%0.91377%0.77SS**  trans24.4139.4144.8-57.6-178.7175.9-179.90125
33G30.3Very low32.6Very low80 Ų80138.6 Ų138.683%0.82576%0.761SS**  trans103.8154.4136.700000117.1
34N31.1Very low32.2Very low160 Ų160138 Ų13886%0.85676%0.759SS**  cis-158.2165.7-10.3-172.927.3000110.7
35Q34.8Very low32Very low165 Ų165138.1 Ų138.177%0.77177%0.769SS**  trans-78.7151172-63.9175.2-18.100113.2
36K35Very low32Very low175 Ų175134.1 Ų134.176%0.76177%0.766SS**  172.8141.7118.7-102.7-175174.41780115.2
37N31.8Very low32Very low137 Ų137137.5 Ų137.573%0.73377%0.768SS**  trans54.5157.8134.3-66.114.8000121.6
38N31.9Very low32Very low142 Ų142139 Ų13976%0.75976%0.762SS**  cis-176.6165.3-20.2177.331.5000107.9
39A34.9Very low31.9Very low82 Ų82136.6 Ų136.668%0.67875%0.754SS**  trans70.5155156.300000119.3
40N31.9Very low31.7Very low132 Ų132133.4 Ų133.471%0.70675%0.746SS**  cis-174.2160.5-23.2-170.110.3000109.9
41K36.3Very low31.9Very low178 Ų178137.6 Ų137.677%0.77475%0.751SS**  trans66.8157.2159.6-82.9172.9-178.4-176.20118.1
42H31.3Very low31.7Very low142 Ų142138 Ų13866%0.65775%0.748SS**  cis-162.5135.3-13.717779.4000112.5
43C26.7Very low31.6Very low98 Ų98133.7 Ų133.766%0.66274%0.744SS**  trans22.5168.1140.7-144.30000125.3
44Q29.9Very low31.7Very low157 Ų157136 Ų13673%0.73474%0.742SS**  trans89.6141.1168-53.1179.735.600116.3
45T29.7Very low32.4Very low135 Ų135134 Ų13483%0.82874%0.738SS**  cis136.3102.3-21.8-68.10000112.5
46A32Very low32.1Very low91 Ų91134.1 Ų134.175%0.75274%0.739SS**  trans-170.2147.3156.500000107.4
47N29.4Very low32.2Very low139 Ų139132.4 Ų132.474%0.74374%0.736SS**  cis64.9129.839.7-92.151.3000112.5
48E31.2Very low32.2Very low147 Ų147135.6 Ų135.669%0.68774%0.744SS**  cis-150.2140.820.1-73.7-137.114100113.1
49T32.5Very low32.3Very low97 Ų97133.1 Ų133.160%0.59574%0.743SS**  88153.699.372.40000118.7
50N30.3Very low32.3Very low132 Ų132141.3 Ų141.371%0.70676%0.756SS**  trans70.3149.8154.2-63.2-34.9000119.7
51L32.1Very low32.3Very low155 Ų155144 Ų14481%0.81276%0.762SS**  cis-155.6173.7-15.4-120.6168.3000112
52L30Very low31.9Very low145 Ų145141.7 Ų141.776%0.75976%0.758SS**  trans-81.5144.9-175.6176.170.8000114.1
53S30.3Very low31.9Very low119 Ų119140.4 Ų140.483%0.83276%0.756SS**  trans-161.9123.3160.3-81.30000114.5
54T33.1Very low32.1Very low128 Ų128142.1 Ų142.179%0.78575%0.754SS**  trans-129.1160.4154.445.20000106
55P45.3Very low32.1Very low118 Ų118143 Ų14377%0.76676%0.757SS**  cis-133.6-153.643.332.3-5.4000111.9
56E28.5Very low32Very low168 Ų168139.6 Ų139.679%0.78575%0.749SS**  cis-162-172.129.7-143.3-153.4129.300114.9
57I36.5Very low31.9Very low138 Ų138144.1 Ų144.171%0.70875%0.752SS**  trans-97148.7-163.2-64.2160.1000113
58K32.5Very low31.8Very low204 Ų204143.6 Ų143.689%0.88775%0.749SS**  trans-159.8142.4144.4-110.6138.9-166.2156.40114.5
59A34.1Very low32Very low91 Ų91146.9 Ų146.975%0.75276%0.761SS**  trans-124.7152.1174.400000110.9
60R34.5Very low31.8Very low253 Ų253151.7 Ų151.796%0.95578%0.777SS**  trans-146.2164.1167.8-75.2-161.1170.1-169.3-3.4111.5
61K31.3Very low31.8Very low188 Ų188148.9 Ų148.982%0.81778%0.78SS**  trans-154155.8-167.1-170.8-164.4171.7-1770109.6
62L29.5Very low31.9Very low131 Ų131151.5 Ų151.569%0.68678%0.784SS**  trans67.2155.8-178.6-90.360.8000113.2
63D30.3Very low31.9Very low115 Ų115152.7 Ų152.762%0.61579%0.791SS**  cis-164.4172.64.7-122.3-12.9000109.7
64Q31.4Very low32.1Very low133 Ų133151.5 Ų151.562%0.62179%0.789SS**  cis-164.9168.5-17.4-148.41789900110.3
65H29.8Very low32.1Very low175 Ų175154.6 Ų154.681%0.8179%0.791SS**  trans62.9157164.7-89.576.7000117.6
66G27.1Very low31.3Very low64 Ų64156.7 Ų156.766%0.6679%0.791SS**  cis174.4175.1-8.400000113.5
67K29.9Very low31.5Very low186 Ų186158.8 Ų158.881%0.80980%0.798SS**  trans83.6115167.5-69-160.6160.2-163.50123.1
68D27.8Very low31.3Very low129 Ų129160.1 Ų160.169%0.6980%0.801SS**  60.8115.3120.9-46.1-22.4000122.6
69K34.3Very low31.3Very low215 Ų215159.1 Ų159.194%0.93580%0.799SS**  -157.5143.4122.4-115.6167.8-172.8173.80113.3
70Q29.3Very low31.2Very low198 Ų198160.3 Ų160.393%0.92580%0.797SS**  trans-86.7145.9-179.3-68.4164.9-40.200112.1
71G31.2Very low31.1Very low74 Ų74155.7 Ų155.776%0.76380%0.797SS**  trans-127.3146159.800000108.9
72K32.2Very low31.1Very low209 Ų209150.3 Ų150.391%0.90980%0.795SS**  trans-102.4128.8-176-68.4177.2177.3177.30111.2
73D30.3Very low31.2Very low170 Ų170148.2 Ų148.291%0.90980%0.804SS**  trans-73.7141.6164-73.4-68.6000111.6
74A34.8Very low31.1Very low94 Ų94146.9 Ų146.978%0.77782%0.818SS**  trans-145.882.2-179.500000112.7
75K32.9Very low31.1Very low193 Ų193144.5 Ų144.584%0.83983%0.829SS**  trans47.596.4140.3-164.1169.8-174.6170.80118.5
76E29.7Very low31.1Very low162 Ų162140 Ų14076%0.75783%0.83SS**  29124.9118.9-168.8-170.4137.900118.6
77K31.3Very low31.2Very low213 Ų213141.1 Ų141.193%0.92684%0.842SS**  trans-138.7134.9155.4-136-179.1-174.2-1750112.3
78Q33.3Very low31.2Very low165 Ų165136.3 Ų136.377%0.77185%0.845SS**  trans-100.1143.8-174.2-169.6179.630.700110.6
79Q32.8Very low31.3Very low184 Ų184134 Ų13486%0.8685%0.852SS**  trans-148.783.7177-153.3165.513.300108.8
80T31.2Very low31.1Very low116 Ų116128 Ų12871%0.71285%0.85SS**  73.5127.588.2610000114.7
81V33.5Very low31.1Very low156 Ų156122.4 Ų122.495%0.94585%0.846SS**  trans-85.2144.2-174.5176.40000112.1
82G31.3Very low31Very low75 Ų75123.1 Ų123.177%0.77385%0.853SS**  trans-158.6143.6156.600000109
83G30.8Very low31Very low86 Ų86117.2 Ų117.289%0.88785%0.852SS**  cis139.870.94.300000109.9
84G29.2Very low31Very low87 Ų87113.1 Ų113.190%0.89785%0.85SS**  trans-126.9123.4-169.100000114.1
85G30.1Very low31Very low84 Ų84112.3 Ų112.387%0.86685%0.851SS**  trans-165.5158.1167.700000109
86G30.5Very low31.2Very low79 Ų79109.2 Ų109.281%0.81485%0.853SS**  cis-177.7-168.4-0.200000111.6
87G28.9Very low31.9Very low89 Ų89111.8 Ų111.892%0.91886%0.862SS**  trans85.4147.9-173.400000112.7
88G29.6Very low32.1Very low85 Ų85105.9 Ų105.988%0.87685%0.853SS**  cis138141.92.400000109.9
89G30.6Very low32.8Very low80 Ų80104.2 Ų104.283%0.82586%0.86SS**  cis179.9168.9-4.800000110.9
90G29.7Very low33Very low88 Ų88100.6 Ų100.691%0.90786%0.855SS**  trans77.9160.5-178.100000114.5
91G29.6Very low33.7Very low81 Ų8199.5 Ų99.584%0.83586%0.857SS**  cis168.1154.5-5.900000111.7
92G29.9Very low34Very low89 Ų8997.6 Ų97.692%0.91885%0.851SS**  trans113.3129.5176.300000113.9
93G31.6Very low34.7Very low86 Ų8699.3 Ų99.389%0.88785%0.851SS**  trans-120166.1175.200000111.8
94G30.5Very low36Very low84 Ų84101.1 Ų101.187%0.86685%0.845SS**  trans-177.4113.2176.500000110.2
95G35.3Very low37.3Very low77 Ų77101.8 Ų101.879%0.79483%0.833SS**  trans-92.4151.3-178.900000112.7
96S36.3Very low38.4Very low127 Ų127103.8 Ų103.889%0.88883%0.831SS**  trans-156.3142.5160.7-83.60000110.5
97K43.5Very low39.7Very low216 Ų216105.6 Ų105.694%0.93982%0.821SS**  trans-82.3130.2176-63.9178.8-179176.60109.6
98A37Very low41Very low90 Ų90104.3 Ų104.374%0.74480%0.802SS**  trans-147102.9161.400000109.7S100A98-S100 PolarHBondContact O-N 2.99Å
99S46.4Very low42.4Very low129 Ų129105.4 Ų105.490%0.90279%0.794SS**  trans-82.685.4172.451.90000109.7
100S38.8Very low43.6Very low109 Ų109109.3 Ų109.376%0.76279%0.79SS**  trans-81.4120.6171.743.80000110.5A98 S102A98-S100 PolarHBondContact O-N 2.99Å; S100-S102 PolarHBondContact O-N 3.45Å
101A44.4Very low44.9Very low92 Ų92113.3 Ų113.376%0.7678%0.778SS**  trans-65.513017000000109.5S103A101-S103 VanDerWaalsContact C-N 3.27Å; A101-S103 PolarHBondContact O-N 3.06Å
102S41.1Very low46.4Very low116 Ų116115.2 Ų115.281%0.81177%0.765SS**  trans-7576.9-179.5410000111.5S100 V104S100-S102 PolarHBondContact O-N 3.45Å; S102-V104 PolarHBondContact O-N 3.42Å
103S44.4Very low48Very low111 Ų111116.9 Ų116.978%0.77675%0.749SS**  trans-62.394170.3600000110.3A101 P105A101-S103 VanDerWaalsContact C-N 3.27Å; A101-S103 PolarHBondContact O-N 3.06Å; S103-P105 WeakPolarHBondContact O-CD 3.46Å
104V58Low49.6Very low125 Ų125114.3 Ų114.376%0.75872%0.717SS**PPolyproline II helixtrans-58.6120.8174.7-178.20000108.2S102S102-V104 PolarHBondContact O-N 3.42Å
105P57.7Low51.6Low101 Ų101113.5 Ų113.566%0.65670%0.695SS**PPolyproline II helixtrans-65.1138.2-177.525.6-33.6000110.2S103 L107S103-P105 WeakPolarHBondContact O-CD 3.46Å; P105-L107 PolarHBondContact O-N 3.45Å; P105-L107 VanDerWaalsContact O-N 3.16Å
106P53.4Low54Low126 Ų126114.6 Ų114.682%0.81868%0.68SS**PPolyproline II helixtrans-56121.3178.9-2735.2000111.9A108P106-A108 PolarHBondContact O-N 3Å
107L58Low56.8Low116 Ų116110.5 Ų110.561%0.60765%0.649SS**PPolyproline II helixtrans-61126.7176.7-72.3170.9000110P105 Q112P105-L107 PolarHBondContact O-N 3.45Å; P105-L107 VanDerWaalsContact O-N 3.16Å; L107-Q112 PolarHBondContact O-NE2 2.9Å
108A55.6Low59.3Low63 Ų63101.3 Ų101.352%0.52161%0.608SS.*PPolyproline II helixtrans-49.6134.6-174.200000112.3P106 H110 R111P106-A108 PolarHBondContact O-N 3Å; A108-H110 PolarHBondContact O-N 3.05Å; A108-R111 PolarHBondContact O-N 3.37Å
109P57.7Low62.1Low107 Ų10798.9 Ų98.970%0.69558%0.584SS**Hα-helixtrans-58.6-27.5-16319.5-32.8000114.2R111 Q112 H113P109-R111 VanDerWaalsContact C-N 3.28Å; P109-R111 PolarHBondContact O-N 3.02Å; P109-Q112 PolarHBondContact O-N 3.1Å; P109-H113 PolarHBondContact O-N 3.14Å
110H57.7Low64.5Low163 Ų163100.6 Ų100.676%0.75557%0.571SS**Hα-helixtrans-59.2-34.3176.3-161.176.1000113.4A108 C114A108-H110 PolarHBondContact O-N 3.05Å; H110-C114 PolarHBondContact O-N 3.14Å
111R55.8Low67.3Low172 Ų17297.6 Ų97.665%0.64954%0.543SS*.Hα-helixtrans-73.7-28.3177.3-80.2-169.6170.5-157.7-2.9113.7A108 P109 C114 T115A108-R111 PolarHBondContact O-N 3.37Å; P109-R111 VanDerWaalsContact C-N 3.28Å; P109-R111 PolarHBondContact O-N 3.02Å; R111-C114 PolarHBondContact O-SG 3.46Å; R111-T115 PolarHBondContact O-OG1 3.32Å
112Q61.6Low69.9Low120 Ų12093.2 Ų93.256%0.56151%0.507SS*.Hα-helixtrans-70.2-43178-60.4-177.7-2.400110L107 P109 Q116L107-Q112 PolarHBondContact O-NE2 2.9Å; P109-Q112 PolarHBondContact O-N 3.1Å; Q112-Q116 PolarHBondContact O-N 3.43Å; Q112-Q116 VanDerWaalsContact O-N 3.12Å
113H64.1Low72.6Confident125 Ų12592.2 Ų92.258%0.57949%0.491SS*.Hα-helixtrans-65.5-46-178.3-171.2-102.2000113.7P109 T115 Q116 V117P109-H113 PolarHBondContact O-N 3.14Å; H113-T115 PolarHBondContact O-N 2.98Å; H113-Q116 PolarHBondContact O-N 2.99Å; H113-V117 PolarHBondContact O-N 3.2Å
114C65.1Low75.1Confident31 Ų3192.6 Ų92.621%0.20948%0.478CS..Hα-helixtrans-64.2-40.2179.662.10000112.4H110 R111 Q116 V117 R118H110-C114 PolarHBondContact O-N 3.14Å; R111-C114 PolarHBondContact O-SG 3.46Å; C114-Q116 VanDerWaalsContact C-N 3.32Å; C114-Q116 PolarHBondContact O-N 2.71Å; C114-V117 PolarHBondContact O-N 3.18Å; C114-R118 PolarHBondContact O-N 2.64Å
115T71.4Confident77Confident67 Ų6787 Ų8741%0.41144%0.444SS..Hα-helixtrans-59-43.3174.6-530000111.4R111 H113 V117 R118 T119R111-T115 PolarHBondContact O-OG1 3.32Å; H113-T115 PolarHBondContact O-N 2.98Å; T115-V117 PolarHBondContact O-N 3.4Å; T115-R118 PolarHBondContact O-N 2.95Å; T115-T119 WeakPolarHBondContact O-CB 3.22Å; T115-T119 PolarHBondContact O-N 2.79Å; T115-T119 PolarHBondContact O-OG1 3.18Å
116Q86Confident78.9Confident101 Ų10183.2 Ų83.247%0.47242%0.418SS..Hα-helixtrans-64.5-38.1176.9179.4169.9-30.700112.9Q112 H113 C114 R120Q112-Q116 PolarHBondContact O-N 3.43Å; Q112-Q116 VanDerWaalsContact O-N 3.12Å; H113-Q116 PolarHBondContact O-N 2.99Å; C114-Q116 VanDerWaalsContact C-N 3.32Å; C114-Q116 PolarHBondContact O-N 2.71Å; Q116-R120 VanDerWaalsContact O-CB 3.32Å; Q116-R120 WeakPolarHBondContact O-CB 3.4Å; Q116-R120 VanDerWaalsContact O-CG 3.23Å; Q116-R120 WeakPolarHBondContact O-CG 3.49Å; Q116-R120 PolarHBondContact O-N 3.16Å; Q116-R120 VanDerWaalsContact O-N 3.11Å
117V94.5Very high81Confident41 Ų4183.2 Ų83.225%0.24841%0.407CS..Hα-helixtrans-65.8-48.6174.9172.60000111.2H113 C114 T115 R120 R121 F186H113-V117 PolarHBondContact O-N 3.2Å; C114-V117 PolarHBondContact O-N 3.18Å; T115-V117 PolarHBondContact O-N 3.4Å; V117-R120 PolarHBondContact O-N 2.84Å; V117-R121 WeakPolarHBondContact O-CB 3.4Å; V117-R121 PolarHBondContact O-N 3.22Å; V117-F186 HydrophobicContact CG1-CE2 4.02Å; V117-F186 HydrophobicContact CG1-CZ 4.26Å
118R95.6Very high82.8Confident22 Ų2280.4 Ų80.48%0.08339%0.391CS..Hα-helixtrans-55.5-53.9178177.5-179.1178.9-159.618.1111.8C114 T115 R121 L122 F147 F180 P181 D182 F184C114-R118 PolarHBondContact O-N 2.64Å; T115-R118 PolarHBondContact O-N 2.95Å; R118-R121 PolarHBondContact O-N 2.94Å; R118-L122 HydrophobicContact CG-CD1 3.8Å; R118-L122 WeakPolarHBondContact O-CG 3.23Å; R118-L122 PolarHBondContact O-N 3.47Å; R118-F147 HydrophobicContact CG-CD1 4.12Å; R118-F147 HydrophobicContact CG-CE1 3.94Å; R118-F147 VanDerWaalsContact CZ-CD1 3.47Å; R118-F180 PolarHBondContact NH2-O 2.78Å; R118-P181 WeakPolarHBondContact CD-O 3.29Å; R118-P181 PolarHBondContact NE-O 3.13Å; R118-P181 VanDerWaalsContact NE-O 3.08Å; R118-D182 IonicContact CZ-OD1 3.34Å; R118-D182 IonicContact NH1-OD1 2.69Å; R118-D182 PolarHBondContact NH1-OD1 3.25Å; R118-D182 IonicContact NH2-OD1 3.11Å; R118-D182 PolarHBondContact NH2-OD1 3.07Å; R118-D182 VanDerWaalsContact NH2-OD1 3.1Å; R118-F184 WeakPolarHBondContact CA-O 3.36Å; R118-F184 WeakPolarHBondContact CB-O 3.31Å; R118-F184 HydrophobicContact CG-CB 4.33Å
119T97.1Very high84.7Confident39 Ų3978.4 Ų78.424%0.23937%0.371CS..Hα-helixtrans-61.3-46.8-179.9-65.90000112T115 R121 L122 M123 L146T115-T119 WeakPolarHBondContact O-CB 3.22Å; T115-T119 PolarHBondContact O-N 2.79Å; T115-T119 PolarHBondContact O-OG1 3.18Å; T119-R121 VanDerWaalsContact C-N 3.32Å; T119-R121 PolarHBondContact O-N 3.03Å; T119-L122 PolarHBondContact O-N 2.95Å; T119-M123 HydrophobicContact CG2-CE 4.02Å; T119-M123 HydrophobicContact CG2-SD 4.35Å; T119-M123 WeakPolarHBondContact O-CG 3.36Å; T119-M123 PolarHBondContact O-N 3.05Å; T119-L146 HydrophobicContact CG2-CD2 3.84Å
120R97Very high86.4Confident165 Ų16582.1 Ų82.162%0.62337%0.371SS*.Hα-helixtrans-61.3-39.2176.8-74.7175179.4-118.32.2112.3Q116 V117 M123 K124Q116-R120 VanDerWaalsContact O-CB 3.32Å; Q116-R120 WeakPolarHBondContact O-CB 3.4Å; Q116-R120 VanDerWaalsContact O-CG 3.23Å; Q116-R120 WeakPolarHBondContact O-CG 3.49Å; Q116-R120 PolarHBondContact O-N 3.16Å; Q116-R120 VanDerWaalsContact O-N 3.11Å; V117-R120 PolarHBondContact O-N 2.84Å; R120-M123 HydrophobicContact CG-CE 4.49Å; R120-K124 PolarHBondContact O-N 2.97Å
121R98Very high88.2Confident46 Ų4682 Ų8217%0.17436%0.364CS..Hα-helixtrans-66.6-47.3177.2-179.759.8-174.4-81.8-5.7111.7V117 R118 T119 M123 K124 E125 F184 P185 S221 Y223V117-R121 WeakPolarHBondContact O-CB 3.4Å; V117-R121 PolarHBondContact O-N 3.22Å; R118-R121 PolarHBondContact O-N 2.94Å; T119-R121 VanDerWaalsContact C-N 3.32Å; T119-R121 PolarHBondContact O-N 3.03Å; R121-M123 PolarHBondContact O-N 2.67Å; R121-K124 WeakPolarHBondContact O-CB 3.43Å; R121-K124 PolarHBondContact O-N 2.92Å; R121-K124 VanDerWaalsContact O-N 3.12Å; R121-E125 IonicContact CZ-OE1 3.97Å; R121-E125 IonicContact NE-OE1 3.05Å; R121-E125 PolarHBondContact NE-OE1 2.72Å; R121-E125 IonicContact NH2-OE1 3.97Å; R121-E125 PolarHBondContact NH2-OE1 2.79Å; R121-E125 WeakPolarHBondContact O-CG 3.23Å; R121-E125 PolarHBondContact O-N 3.43Å; R121-F184 HydrophobicContact CB-CE1 4.3Å; R121-F184 HydrophobicContact CG-CD1 4.35Å; R121-F184 HydrophobicContact CG-CE1 3.64Å; R121-F184 HydrophobicContact CG-CZ 4.31Å; R121-P185 HydrophobicContact CG-CB 4.16Å; R121-P185 HydrophobicContact CG-CG 4.11Å; R121-S221 PolarHBondContact NH1-O 2.92Å; R121-S221 PolarHBondContact NH2-O 2.9Å; R121-Y223 PolarHBondContact NH2-O 3.49Å
122L98.4Very high90Very high0 Ų077.1 Ų77.10%035%0.351CS..Hα-helixtrans-65.6-38.9-177.6-70.3166.9000112.7R118 T119 K124 E125 L126 L146 F147 W149 F180 F184R118-L122 HydrophobicContact CG-CD1 3.8Å; R118-L122 WeakPolarHBondContact O-CG 3.23Å; R118-L122 PolarHBondContact O-N 3.47Å; T119-L122 PolarHBondContact O-N 2.95Å; L122-K124 VanDerWaalsContact C-N 3.3Å; L122-K124 PolarHBondContact O-N 2.66Å; L122-E125 PolarHBondContact O-N 3.11Å; L122-L126 WeakPolarHBondContact O-CG 3.27Å; L122-L126 PolarHBondContact O-N 2.7Å; L122-L146 HydrophobicContact CB-CD1 3.9Å; L122-L146 HydrophobicContact CB-CD2 4.4Å; L122-L146 HydrophobicContact CB-CG 4.01Å; L122-L146 HydrophobicContact CD1-CG 4.42Å; L122-F147 HydrophobicContact CD1-CD1 3.57Å; L122-F147 HydrophobicContact CD1-CE1 4.02Å; L122-W149 HydrophobicContact CB-CZ2 4.24Å; L122-W149 HydrophobicContact CD2-CH2 4.22Å; L122-W149 HydrophobicContact CD2-CZ2 3.76Å; L122-F180 HydrophobicContact CD1-CB 4.18Å; L122-F180 HydrophobicContact CD1-CD2 4.46Å; L122-F180 HydrophobicContact CD1-CG 4.26Å; L122-F180 HydrophobicContact CD2-CB 4.29Å; L122-F180 HydrophobicContact CD2-CD1 3.5Å; L122-F180 HydrophobicContact CD2-CD2 3.73Å; L122-F180 HydrophobicContact CD2-CE1 3.61Å; L122-F180 HydrophobicContact CD2-CE2 3.87Å; L122-F180 HydrophobicContact CD2-CG 3.55Å; L122-F180 HydrophobicContact CD2-CZ 3.79Å; L122-F184 HydrophobicContact CD1-CD1 4.33Å; L122-F184 HydrophobicContact CD2-CD1 3.83Å; L122-F184 HydrophobicContact CD2-CE1 3.42Å; L122-F184 VanDerWaalsContact CD2-CE1 3.42Å; L122-F184 HydrophobicContact CD2-CZ 4.16Å; L122-F184 HydrophobicContact CG-CD1 3.9Å; L122-F184 HydrophobicContact CG-CE1 3.8Å
123M97.4Very high91.1Very high95 Ų9573.9 Ų73.947%0.46835%0.35SS..Hα-helixtrans-60.9-38.9171.7-68.5-173.4-56.900112.1T119 R120 R121 Q127 L146T119-M123 HydrophobicContact CG2-CE 4.02Å; T119-M123 HydrophobicContact CG2-SD 4.35Å; T119-M123 WeakPolarHBondContact O-CG 3.36Å; T119-M123 PolarHBondContact O-N 3.05Å; R120-M123 HydrophobicContact CG-CE 4.49Å; R121-M123 PolarHBondContact O-N 2.67Å; M123-Q127 WeakPolarHBondContact O-CB 3.31Å; M123-Q127 PolarHBondContact O-N 3.36Å; M123-L146 HydrophobicContact CG-CD2 4.05Å
124K97.8Very high92.3Very high119 Ų11971.1 Ų71.152%0.51734%0.339SS..Hα-helixtrans-65.4-45.3174.5-175.1176.9178.4-179.10112R120 R121 L122 L126 Q127 E128R120-K124 PolarHBondContact O-N 2.97Å; R121-K124 WeakPolarHBondContact O-CB 3.43Å; R121-K124 PolarHBondContact O-N 2.92Å; R121-K124 VanDerWaalsContact O-N 3.12Å; L122-K124 VanDerWaalsContact C-N 3.3Å; L122-K124 PolarHBondContact O-N 2.66Å; K124-L126 VanDerWaalsContact C-N 3.34Å; K124-L126 PolarHBondContact O-N 2.79Å; K124-Q127 WeakPolarHBondContact O-CB 3.41Å; K124-Q127 PolarHBondContact O-N 2.69Å; K124-E128 HydrophobicContact CG-CG 4.22Å; K124-E128 WeakPolarHBondContact O-CG 3.4Å; K124-E128 PolarHBondContact O-N 2.99Å
125E98.1Very high93.5Very high7 Ų775.1 Ų75.13%0.03336%0.358CS..Hα-helixtrans-57.5-46.2176.4-66-67146.700111.4R121 L122 Q127 E128 I129 W149 T224 V225R121-E125 IonicContact CZ-OE1 3.97Å; R121-E125 IonicContact NE-OE1 3.05Å; R121-E125 PolarHBondContact NE-OE1 2.72Å; R121-E125 IonicContact NH2-OE1 3.97Å; R121-E125 PolarHBondContact NH2-OE1 2.79Å; R121-E125 WeakPolarHBondContact O-CG 3.23Å; R121-E125 PolarHBondContact O-N 3.43Å; L122-E125 PolarHBondContact O-N 3.11Å; E125-Q127 VanDerWaalsContact C-N 3.27Å; E125-Q127 PolarHBondContact O-N 3.38Å; E125-E128 PolarHBondContact O-N 3.37Å; E125-I129 WeakPolarHBondContact O-CB 3.48Å; E125-I129 VanDerWaalsContact O-CG1 3.27Å; E125-I129 WeakPolarHBondContact O-CG1 3.43Å; E125-I129 PolarHBondContact O-N 2.88Å; E125-W149 HydrophobicContact CB-CH2 3.9Å; E125-T224 VanDerWaalsContact OE2-CA 3.32Å; E125-T224 WeakPolarHBondContact OE2-CA 3.13Å; E125-T224 WeakPolarHBondContact OE2-CB 3.48Å; E125-V225 HydrophobicContact CB-CG2 4.23Å; E125-V225 HydrophobicContact CG-CG2 4.01Å; E125-V225 PolarHBondContact OE2-N 3.41Å
126L97.1Very high94.7Very high22 Ų2273 Ų7312%0.11534%0.343CS..Hα-helixtrans-63.5-30.2174.5-69.5174.4000113.3L122 K124 R130 V139 L141 L146 W149L122-L126 WeakPolarHBondContact O-CG 3.27Å; L122-L126 PolarHBondContact O-N 2.7Å; K124-L126 VanDerWaalsContact C-N 3.34Å; K124-L126 PolarHBondContact O-N 2.79Å; L126-R130 WeakPolarHBondContact O-CB 3.48Å; L126-R130 WeakPolarHBondContact O-CG 3.33Å; L126-R130 PolarHBondContact O-N 2.74Å; L126-R130 PolarHBondContact O-NE 3Å; L126-V139 HydrophobicContact CD2-CB 4.36Å; L126-V139 HydrophobicContact CD2-CG1 3.7Å; L126-L141 HydrophobicContact CD1-CD2 4.24Å; L126-L146 HydrophobicContact CD1-CD1 3.52Å; L126-W149 HydrophobicContact CD1-CZ2 3.96Å; L126-W149 HydrophobicContact CD2-CD2 4.22Å; L126-W149 HydrophobicContact CD2-CE3 4.18Å; L126-W149 HydrophobicContact CD2-CH2 3.53Å; L126-W149 HydrophobicContact CD2-CZ2 3.57Å; L126-W149 HydrophobicContact CD2-CZ3 3.84Å; L126-W149 HydrophobicContact CG-CH2 3.61Å; L126-W149 HydrophobicContact CG-CZ2 3.48Å; L126-W149 VanDerWaalsContact CG-CZ2 3.48Å; L126-W149 HydrophobicContact CG-CZ3 4.41Å
127Q96.9Very high95.2Very high126 Ų12668.9 Ų68.959%0.58932%0.324SS*.Hα-helixtrans-74.3-45.7176.3-173.5175.31.500111.3M123 K124 E125 R130 R131M123-Q127 WeakPolarHBondContact O-CB 3.31Å; M123-Q127 PolarHBondContact O-N 3.36Å; K124-Q127 WeakPolarHBondContact O-CB 3.41Å; K124-Q127 PolarHBondContact O-N 2.69Å; E125-Q127 VanDerWaalsContact C-N 3.27Å; E125-Q127 PolarHBondContact O-N 3.38Å; Q127-R130 PolarHBondContact O-N 2.73Å; Q127-R131 WeakPolarHBondContact O-CB 3.48Å; Q127-R131 PolarHBondContact O-N 3.35Å
128E95.8Very high95.3Very high58 Ų5869.4 Ų69.427%0.27133%0.328SS..Hα-helixtrans-64.6-43178.3-65.9-60.6157.100112K124 E125 R130 R131 L132K124-E128 HydrophobicContact CG-CG 4.22Å; K124-E128 WeakPolarHBondContact O-CG 3.4Å; K124-E128 PolarHBondContact O-N 2.99Å; E125-E128 PolarHBondContact O-N 3.37Å; E128-R130 VanDerWaalsContact C-N 3.33Å; E128-R130 PolarHBondContact O-N 2.84Å; E128-R131 WeakPolarHBondContact O-CB 3.27Å; E128-R131 PolarHBondContact O-N 3.47Å; E128-R131 VanDerWaalsContact O-N 3.1Å; E128-R131 IonicContact OE2-CZ 3.29Å; E128-R131 IonicContact OE2-NE 3.05Å; E128-R131 PolarHBondContact OE2-NE 2.88Å; E128-R131 IonicContact OE2-NH2 2.7Å; E128-R131 PolarHBondContact OE2-NH2 2.85Å; E128-L132 WeakPolarHBondContact O-CG 3.21Å; E128-L132 PolarHBondContact O-N 2.87Å
129I96.1Very high95.4Very high20 Ų2070 Ų7010%0.10333%0.334CS..Hα-helixtrans-58.2-45.8175.7-69.8166.9000110.8E125 R131 L132 I137 V139 W149 V225 E226E125-I129 WeakPolarHBondContact O-CB 3.48Å; E125-I129 VanDerWaalsContact O-CG1 3.27Å; E125-I129 WeakPolarHBondContact O-CG1 3.43Å; E125-I129 PolarHBondContact O-N 2.88Å; I129-R131 VanDerWaalsContact C-N 3.32Å; I129-R131 PolarHBondContact O-N 2.82Å; I129-L132 PolarHBondContact O-N 2.82Å; I129-I137 HydrophobicContact CD1-CD1 4.15Å; I129-I137 HydrophobicContact CG1-CD1 4.29Å; I129-I137 HydrophobicContact CG2-CD1 4.13Å; I129-I137 HydrophobicContact CG2-CG1 4.31Å; I129-V139 HydrophobicContact CD1-CG2 4.09Å; I129-V139 HydrophobicContact CG2-CG2 4.07Å; I129-W149 HydrophobicContact CD1-CZ3 4.16Å; I129-V225 HydrophobicContact CD1-CB 4.33Å; I129-V225 HydrophobicContact CD1-CG1 4.48Å; I129-E226 HydrophobicContact CG1-CB 4.07Å
130R94Very high95.5Very high186 Ų18671.8 Ų71.870%0.70234%0.34SS*.Hα-helixtrans-69.5-27.2176.8-74.2179.4-70.6-173.10.8113.3L126 Q127 E128L126-R130 WeakPolarHBondContact O-CB 3.48Å; L126-R130 WeakPolarHBondContact O-CG 3.33Å; L126-R130 PolarHBondContact O-N 2.74Å; L126-R130 PolarHBondContact O-NE 3Å; Q127-R130 PolarHBondContact O-N 2.73Å; E128-R130 VanDerWaalsContact C-N 3.33Å; E128-R130 PolarHBondContact O-N 2.84Å
131R95Very high95.5Very high160 Ų16066.9 Ų66.960%0.60433%0.325SS*.Hα-helixtrans-74.6-26.2175.9-167.3-170.460.264.93.2112.8Q127 E128 I129Q127-R131 WeakPolarHBondContact O-CB 3.48Å; Q127-R131 PolarHBondContact O-N 3.35Å; E128-R131 WeakPolarHBondContact O-CB 3.27Å; E128-R131 PolarHBondContact O-N 3.47Å; E128-R131 VanDerWaalsContact O-N 3.1Å; E128-R131 IonicContact OE2-CZ 3.29Å; E128-R131 IonicContact OE2-NE 3.05Å; E128-R131 PolarHBondContact OE2-NE 2.88Å; E128-R131 IonicContact OE2-NH2 2.7Å; E128-R131 PolarHBondContact OE2-NH2 2.85Å; I129-R131 VanDerWaalsContact C-N 3.32Å; I129-R131 PolarHBondContact O-N 2.82Å
132L92.4Very high95.5Very high70 Ų7066.5 Ų66.537%0.36633%0.328SS..Hα-helixtrans-73.2-42.4179.2-73.7167000112.6E128 I129 D134 E226E128-L132 WeakPolarHBondContact O-CG 3.21Å; E128-L132 PolarHBondContact O-N 2.87Å; I129-L132 PolarHBondContact O-N 2.82Å; L132-D134 PolarHBondContact O-N 2.89Å; L132-E226 HydrophobicContact CD1-CB 4.47Å; L132-E226 HydrophobicContact CD1-CG 3.68Å
133G85.8Confident95.4Very high52 Ų5275.4 Ų75.454%0.53637%0.369SS..  trans63.410.9170.400000116.7N135G133-N135 VanDerWaalsContact C-N 3.25Å; G133-N135 PolarHBondContact O-N 2.78Å
134D88.9Confident95.3Very high66 Ų6677.8 Ų77.835%0.35338%0.384SS..SBendtrans-81.41.9-171.776-19.9000114.8L132 F136 Q155 R230L132-D134 PolarHBondContact O-N 2.89Å; D134-F136 PolarHBondContact O-N 3.36Å; D134-F136 VanDerWaalsContact O-N 3.14Å; D134-F136 VanDerWaalsContact OD1-CB 3.23Å; D134-F136 WeakPolarHBondContact OD1-CB 3.41Å; D134-F136 PolarHBondContact OD1-N 2.81Å; D134-F136 WeakPolarHBondContact OD2-CB 3.37Å; D134-Q155 PolarHBondContact O-NE2 3.13Å; D134-Q155 VanDerWaalsContact O-NE2 3.14Å; D134-R230 IonicContact OD1-NH2 2.91Å; D134-R230 IonicContact OD2-CZ 2.73Å; D134-R230 IonicContact OD2-NH1 3.97Å; D134-R230 PolarHBondContact OD2-NH1 2.91Å; D134-R230 IonicContact OD2-NH2 3.87Å; D134-R230 PolarHBondContact OD2-NH2 2.87Å
135N89.8Confident95.3Very high116 Ų11675.2 Ų75.262%0.6238%0.376SS*.SBendtrans53.127.1-175.3-56.6-57.3000114G133 Q155G133-N135 VanDerWaalsContact C-N 3.25Å; G133-N135 PolarHBondContact O-N 2.78Å; N135-Q155 PolarHBondContact O-NE2 3.45Å
136F96.3Very high95.2Very high22 Ų2276.5 Ų76.510%0.09638%0.383CS..SBendtrans-71.3-42174.5-174.3-91.1000111.4D134 L153 H154 Q155 R230 A233D134-F136 PolarHBondContact O-N 3.36Å; D134-F136 VanDerWaalsContact O-N 3.14Å; D134-F136 VanDerWaalsContact OD1-CB 3.23Å; D134-F136 WeakPolarHBondContact OD1-CB 3.41Å; D134-F136 PolarHBondContact OD1-N 2.81Å; D134-F136 WeakPolarHBondContact OD2-CB 3.37Å; F136-L153 HydrophobicContact CD1-CD1 4.03Å; F136-L153 HydrophobicContact CE1-CD1 3.36Å; F136-L153 HydrophobicContact CZ-CD1 3.65Å; F136-H154 PolarHBondContact O-N 2.78Å; F136-H154 VanDerWaalsContact O-N 3.13Å; F136-Q155 HydrophobicContact CD2-CB 3.61Å; F136-Q155 HydrophobicContact CD2-CG 4.41Å; F136-Q155 HydrophobicContact CE2-CB 3.78Å; F136-Q155 HydrophobicContact CG-CB 4.45Å; F136-R230 HydrophobicContact CD1-CG 3.86Å; F136-R230 HydrophobicContact CE1-CB 4.18Å; F136-R230 HydrophobicContact CE1-CG 3.52Å; F136-R230 HydrophobicContact CE2-CG 4.38Å; F136-R230 HydrophobicContact CG-CG 4.47Å; F136-R230 VanDerWaalsContact CG-NH1 3.27Å; F136-R230 HydrophobicContact CZ-CB 4.25Å; F136-R230 HydrophobicContact CZ-CG 3.81Å; F136-A233 HydrophobicContact CE1-CB 4.43Å; F136-A233 HydrophobicContact CZ-CB 3.72Å
137I97.4Very high95.3Very high14 Ų1478 Ų787%0.07239%0.389CS..EExtended strand (participates in β ladder)trans-132.7150.5172.648170.2000111.7I129 V139 V151 K152 L153 E226 M229I129-I137 HydrophobicContact CD1-CD1 4.15Å; I129-I137 HydrophobicContact CG1-CD1 4.29Å; I129-I137 HydrophobicContact CG2-CD1 4.13Å; I129-I137 HydrophobicContact CG2-CG1 4.31Å; I137-V139 HydrophobicContact CD1-CG2 4.47Å; I137-V151 HydrophobicContact CB-CG1 3.92Å; I137-V151 HydrophobicContact CD1-CG1 4.4Å; I137-V151 HydrophobicContact CG2-CG1 3.79Å; I137-K152 CarbonylContact C-O 3.6Å; I137-K152 WeakPolarHBondContact CA-O 3.28Å; I137-L153 HydrophobicContact CG2-CB 4.42Å; I137-L153 HydrophobicContact CG2-CD1 3.97Å; I137-E226 HydrophobicContact CD1-CB 4.49Å; I137-M229 HydrophobicContact CD1-CB 4.24Å; I137-M229 HydrophobicContact CD1-CG 4.09Å; I137-M229 HydrophobicContact CG2-CB 3.96Å; I137-M229 HydrophobicContact CG2-CG 4.17Å
138T97.1Very high95.4Very high52 Ų5273 Ų7332%0.31937%0.366SS..EExtended strand (participates in β ladder)trans-114.9141.1160.8-53.80000109.2V151 K152 H154T138-V151 CarbonylContact O-C 3.55Å; T138-V151 WeakPolarHBondContact O-CA 3.4Å; T138-K152 PolarHBondContact N-O 3.44Å; T138-K152 PolarHBondContact O-N 3.28Å; T138-H154 PolarHBondContact OG1-NE2 2.9Å
139V97.7Very high95.5Very high34 Ų3470.2 Ų70.221%0.20635%0.353CS..EExtended strand (participates in β ladder)trans-118.1130-179.3-178.60000109.8L126 I129 I137 W149 V151L126-V139 HydrophobicContact CD2-CB 4.36Å; L126-V139 HydrophobicContact CD2-CG1 3.7Å; I129-V139 HydrophobicContact CD1-CG2 4.09Å; I129-V139 HydrophobicContact CG2-CG2 4.07Å; I137-V139 HydrophobicContact CD1-CG2 4.47Å; V139-W149 HydrophobicContact CG1-CB 4.14Å; V139-W149 HydrophobicContact CG1-CD2 3.73Å; V139-W149 HydrophobicContact CG1-CE3 3.46Å; V139-W149 VanDerWaalsContact CG1-CE3 3.46Å; V139-W149 HydrophobicContact CG1-CG 4.03Å; V139-W149 HydrophobicContact CG1-CZ3 4.15Å; V139-W149 HydrophobicContact CG2-CE3 4.43Å; V139-V151 HydrophobicContact CG1-CG2 4.45Å; V139-V151 HydrophobicContact CG2-CG1 4.29Å; V139-V151 HydrophobicContact CG2-CG2 4.18Å
140E97.8Very high95.6Very high78 Ų7871.3 Ų71.336%0.36436%0.359SS..EExtended strand (participates in β ladder)trans-125.6133.9177.6-71164.917900108.3N150 K152E140-N150 HydrophobicContact CB-CB 4.39Å; E140-N150 PolarHBondContact N-O 3.4Å; E140-N150 PolarHBondContact O-N 2.96Å; E140-K152 IonicContact OE1-NZ 3.21Å; E140-K152 PolarHBondContact OE1-NZ 2.9Å; E140-K152 WeakPolarHBondContact OE2-CE 3.3Å; E140-K152 IonicContact OE2-NZ 3.42Å; E140-K152 PolarHBondContact OE2-NZ 3.31Å
141L98.2Very high95.8Very high61 Ų6162.4 Ų62.432%0.31933%0.326SS..EExtended strand (participates in β ladder)trans-78.9135.9176.6-57.8-174.8000109.5L126 E143 W149L126-L141 HydrophobicContact CD1-CD2 4.24Å; L141-E143 PolarHBondContact O-N 2.85Å; L141-W149 HydrophobicContact CD2-CG 4.08Å
142V97.4Very high96Very high38 Ų3856.9 Ų56.923%0.2331%0.306CS..EExtended strand (participates in β ladder)trans-78.1113.9174.1-178.50000107.7D144 N145 D148 N150V142-D144 VanDerWaalsContact C-N 3.26Å; V142-D144 PolarHBondContact O-N 3.28Å; V142-N145 WeakPolarHBondContact O-CB 3.24Å; V142-N145 PolarHBondContact O-N 3.33Å; V142-D148 HydrophobicContact CB-CB 4.43Å; V142-D148 WeakPolarHBondContact CB-O 3.45Å; V142-D148 WeakPolarHBondContact CG2-O 3.23Å; V142-D148 PolarHBondContact N-O 2.96Å; V142-N150 HydrophobicContact CG2-CB 4.46Å
143E96.2Very high96.3Very high187 Ų18753.6 Ų53.687%0.87429%0.288SS*.THydrogen-bonded Turntrans55.241.1179.2-59.1168.8-164.200112.4L141 N145L141-E143 PolarHBondContact O-N 2.85Å; E143-N145 PolarHBondContact O-N 3.21Å
144D95.8Very high96.8Very high145 Ų14554 Ų5478%0.77528%0.276SS*.THydrogen-bonded Turntrans55.812.5-173.3-66.4-48.9000115.5V142 L146V142-D144 VanDerWaalsContact C-N 3.26Å; V142-D144 PolarHBondContact O-N 3.28Å; D144-L146 PolarHBondContact O-N 3.43Å
145N97Very high97.1Very high65 Ų6554.9 Ų54.935%0.34828%0.278SS..EExtended strand (participates in β ladder)trans-73.5109.7-179.3-171.8-4.5000111.7V142 E143 F147 D148V142-N145 WeakPolarHBondContact O-CB 3.24Å; V142-N145 PolarHBondContact O-N 3.33Å; E143-N145 PolarHBondContact O-N 3.21Å; N145-F147 PolarHBondContact O-N 3.04Å; N145-F147 WeakPolarHBondContact OD1-CB 2.97Å; N145-F147 VanDerWaalsContact OD1-CD2 3.31Å; N145-F147 WeakPolarHBondContact OD1-CD2 3.47Å; N145-F147 PolarHBondContact OD1-N 3.06Å; N145-D148 PolarHBondContact O-N 2.87Å
146L97.5Very high97.5Very high34 Ų3450.1 Ų50.118%0.17825%0.254CS..EExtended strand (participates in β ladder)trans-56.3-17.4173.1-176.859.5000113.5T119 L122 M123 L126 D144 W149T119-L146 HydrophobicContact CG2-CD2 3.84Å; L122-L146 HydrophobicContact CB-CD1 3.9Å; L122-L146 HydrophobicContact CB-CD2 4.4Å; L122-L146 HydrophobicContact CB-CG 4.01Å; L122-L146 HydrophobicContact CD1-CG 4.42Å; M123-L146 HydrophobicContact CG-CD2 4.05Å; L126-L146 HydrophobicContact CD1-CD1 3.52Å; D144-L146 PolarHBondContact O-N 3.43Å; L146-W149 PolarHBondContact O-NE1 3.1Å
147F98.1Very high97.5Very high53 Ų5353.3 Ų53.323%0.23227%0.271CS..EExtended strand (participates in β ladder)trans-103.7-3.7-175.8-45.7-59.5000115.3R118 L122 N145 F180R118-F147 HydrophobicContact CG-CD1 4.12Å; R118-F147 HydrophobicContact CG-CE1 3.94Å; R118-F147 VanDerWaalsContact CZ-CD1 3.47Å; L122-F147 HydrophobicContact CD1-CD1 3.57Å; L122-F147 HydrophobicContact CD1-CE1 4.02Å; N145-F147 PolarHBondContact O-N 3.04Å; N145-F147 WeakPolarHBondContact OD1-CB 2.97Å; N145-F147 VanDerWaalsContact OD1-CD2 3.31Å; N145-F147 WeakPolarHBondContact OD1-CD2 3.47Å; N145-F147 PolarHBondContact OD1-N 3.06Å; F147-F180 PolarHBondContact O-N 3.32Å
148D98.4Very high97.4Very high22 Ų2259.4 Ų59.412%0.11830%0.297CS..EExtended strand (participates in β ladder)trans-139.2111.3175.8-146.9-9.8000109.6V142 N145 N177 T179 R256V142-D148 HydrophobicContact CB-CB 4.43Å; V142-D148 WeakPolarHBondContact CB-O 3.45Å; V142-D148 WeakPolarHBondContact CG2-O 3.23Å; V142-D148 PolarHBondContact N-O 2.96Å; N145-D148 PolarHBondContact O-N 2.87Å; D148-N177 PolarHBondContact OD1-ND2 2.8Å; D148-T179 HydrophobicContact CB-CG2 4.37Å; D148-T179 VanDerWaalsContact CG-OG1 3.25Å; D148-T179 WeakPolarHBondContact OD1-CA 3Å; D148-T179 WeakPolarHBondContact OD1-CB 3.36Å; D148-T179 PolarHBondContact OD1-OG1 2.73Å; D148-T179 PolarHBondContact OD2-OG1 3.24Å; D148-R256 IonicContact OD2-NH1 2.66Å; D148-R256 PolarHBondContact OD2-NH1 2.71Å; D148-R256 VanDerWaalsContact OD2-NH1 3.13Å
149W98.6Very high97.4Very high0 Ų063.9 Ų63.90%032%0.319CS..EExtended strand (participates in β ladder)trans-111.3147.6-173.2-58.4-1.8000111.3L122 E125 L126 I129 V139 L141 L146 V151 N177 V178 F180 V225L122-W149 HydrophobicContact CB-CZ2 4.24Å; L122-W149 HydrophobicContact CD2-CH2 4.22Å; L122-W149 HydrophobicContact CD2-CZ2 3.76Å; E125-W149 HydrophobicContact CB-CH2 3.9Å; L126-W149 HydrophobicContact CD1-CZ2 3.96Å; L126-W149 HydrophobicContact CD2-CD2 4.22Å; L126-W149 HydrophobicContact CD2-CE3 4.18Å; L126-W149 HydrophobicContact CD2-CH2 3.53Å; L126-W149 HydrophobicContact CD2-CZ2 3.57Å; L126-W149 HydrophobicContact CD2-CZ3 3.84Å; L126-W149 HydrophobicContact CG-CH2 3.61Å; L126-W149 HydrophobicContact CG-CZ2 3.48Å; L126-W149 VanDerWaalsContact CG-CZ2 3.48Å; L126-W149 HydrophobicContact CG-CZ3 4.41Å; I129-W149 HydrophobicContact CD1-CZ3 4.16Å; V139-W149 HydrophobicContact CG1-CB 4.14Å; V139-W149 HydrophobicContact CG1-CD2 3.73Å; V139-W149 HydrophobicContact CG1-CE3 3.46Å; V139-W149 VanDerWaalsContact CG1-CE3 3.46Å; V139-W149 HydrophobicContact CG1-CG 4.03Å; V139-W149 HydrophobicContact CG1-CZ3 4.15Å; V139-W149 HydrophobicContact CG2-CE3 4.43Å; L141-W149 HydrophobicContact CD2-CG 4.08Å; L146-W149 PolarHBondContact O-NE1 3.1Å; W149-V151 HydrophobicContact CB-CG2 4.27Å; W149-N177 CarbonylContact O-C 3.57Å; W149-N177 VanDerWaalsContact O-CA 3.3Å; W149-N177 WeakPolarHBondContact O-CA 3.33Å; W149-N177 PolarHBondContact O-ND2 2.7Å; W149-V178 HydrophobicContact CB-CB 4.47Å; W149-V178 PolarHBondContact N-O 3.3Å; W149-V178 PolarHBondContact O-N 3.37Å; W149-F180 HydrophobicContact CB-CE2 4.47Å; W149-F180 AromaticContact CD1-CE2 3.95Å; W149-F180 AromaticContact CD2-CE2 3.46Å; W149-F180 HydrophobicContact CD2-CE2 3.46Å; W149-F180 VanDerWaalsContact CD2-CE2 3.46Å; W149-F180 AromaticContact CD2-CZ 3.89Å; W149-F180 HydrophobicContact CD2-CZ 3.89Å; W149-F180 AromaticContact CE2-CE2 3.5Å; W149-F180 AromaticContact CE3-CE2 3.89Å; W149-F180 HydrophobicContact CE3-CE2 3.89Å; W149-F180 AromaticContact CE3-CZ 3.81Å; W149-F180 HydrophobicContact CE3-CZ 3.81Å; W149-F180 AromaticContact CG-CE2 3.75Å; W149-F180 HydrophobicContact CG-CE2 3.75Å; W149-F180 HydrophobicContact CH2-CE2 4.36Å; W149-F180 HydrophobicContact CH2-CZ 4.05Å; W149-F180 AromaticContact CZ2-CE2 3.96Å; W149-F180 HydrophobicContact CZ2-CE2 3.96Å; W149-F180 HydrophobicContact CZ2-CZ 4.1Å; W149-F180 HydrophobicContact CZ3-CE2 4.33Å; W149-F180 AromaticContact CZ3-CZ 3.91Å; W149-F180 HydrophobicContact CZ3-CZ 3.91Å; W149-F180 AromaticContact NE1-CE2 3.77Å; W149-V225 HydrophobicContact CE3-CG1 4.38Å; W149-V225 HydrophobicContact CH2-CG2 4.48Å; W149-V225 HydrophobicContact CZ3-CB 4.3Å; W149-V225 HydrophobicContact CZ3-CG1 3.94Å; W149-V225 HydrophobicContact CZ3-CG2 4.21Å
150N98.6Very high97.4Very high42 Ų4262.9 Ų62.923%0.22531%0.314CS..EExtended strand (participates in β ladder)trans-96.6132.9157.1-77.8-27.1000108.4E140 V142 L175 L176E140-N150 HydrophobicContact CB-CB 4.39Å; E140-N150 PolarHBondContact N-O 3.4Å; E140-N150 PolarHBondContact O-N 2.96Å; V142-N150 HydrophobicContact CG2-CB 4.46Å; N150-L175 HydrophobicContact CB-CD1 4.3Å; N150-L176 CarbonylContact C-O 3.58Å; N150-L176 WeakPolarHBondContact CA-O 3.47Å
151V98.5Very high97.3Very high0 Ų061 Ų610%031%0.312CS..EExtended strand (participates in β ladder)trans-126.1120.9179.7-173.80000109.2I137 T138 V139 W149 L176 V178 M229I137-V151 HydrophobicContact CB-CG1 3.92Å; I137-V151 HydrophobicContact CD1-CG1 4.4Å; I137-V151 HydrophobicContact CG2-CG1 3.79Å; T138-V151 CarbonylContact O-C 3.55Å; T138-V151 WeakPolarHBondContact O-CA 3.4Å; V139-V151 HydrophobicContact CG1-CG2 4.45Å; V139-V151 HydrophobicContact CG2-CG1 4.29Å; V139-V151 HydrophobicContact CG2-CG2 4.18Å; W149-V151 HydrophobicContact CB-CG2 4.27Å; V151-L176 HydrophobicContact CB-CB 4.44Å; V151-L176 PolarHBondContact N-O 2.96Å; V151-L176 PolarHBondContact O-N 3.47Å; V151-V178 HydrophobicContact CG2-CG2 3.81Å; V151-M229 HydrophobicContact CB-CE 3.95Å; V151-M229 HydrophobicContact CB-SD 4.31Å; V151-M229 HydrophobicContact CG1-CE 3.95Å; V151-M229 HydrophobicContact CG1-CG 4.24Å; V151-M229 HydrophobicContact CG1-SD 3.8Å; V151-M229 HydrophobicContact CG2-CE 3.94Å
152K98.4Very high97.3Very high44 Ų4458.2 Ų58.219%0.19130%0.298CS..EExtended strand (participates in β ladder)trans-93.1112.6176.2-66171.2177.5167.30108.1I137 T138 E140 F173 L175I137-K152 CarbonylContact C-O 3.6Å; I137-K152 WeakPolarHBondContact CA-O 3.28Å; T138-K152 PolarHBondContact N-O 3.44Å; T138-K152 PolarHBondContact O-N 3.28Å; E140-K152 IonicContact OE1-NZ 3.21Å; E140-K152 PolarHBondContact OE1-NZ 2.9Å; E140-K152 WeakPolarHBondContact OE2-CE 3.3Å; E140-K152 IonicContact OE2-NZ 3.42Å; E140-K152 PolarHBondContact OE2-NZ 3.31Å; K152-F173 HydrophobicContact CB-CB 4.06Å; K152-F173 HydrophobicContact CB-CD1 4.46Å; K152-F173 HydrophobicContact CB-CD2 3.96Å; K152-F173 HydrophobicContact CB-CG 3.9Å; K152-F173 HydrophobicContact CD-CD1 4.28Å; K152-F173 HydrophobicContact CD-CD2 4.29Å; K152-F173 HydrophobicContact CD-CE1 4.13Å; K152-F173 HydrophobicContact CD-CE2 4.12Å; K152-F173 HydrophobicContact CD-CG 4.38Å; K152-F173 HydrophobicContact CD-CZ 4.04Å; K152-F173 HydrophobicContact CG-CD1 4.42Å; K152-F173 HydrophobicContact CG-CD2 3.69Å; K152-F173 HydrophobicContact CG-CE2 3.84Å; K152-F173 HydrophobicContact CG-CG 4.01Å; K152-F173 HydrophobicContact CG-CZ 4.29Å; K152-L175 HydrophobicContact CG-CD1 3.63Å
153L98.2Very high97.3Very high0 Ų060.7 Ų60.70%030%0.303CS..EExtended strand (participates in β ladder)trans-91.6108.6174.117467.5000109.1F136 I137 V156 F173 I174 L176 F232 A233 L236F136-L153 HydrophobicContact CD1-CD1 4.03Å; F136-L153 HydrophobicContact CE1-CD1 3.36Å; F136-L153 HydrophobicContact CZ-CD1 3.65Å; I137-L153 HydrophobicContact CG2-CB 4.42Å; I137-L153 HydrophobicContact CG2-CD1 3.97Å; L153-V156 HydrophobicContact CD2-CG1 4.44Å; L153-F173 CarbonylContact O-C 3.58Å; L153-F173 VanDerWaalsContact O-CA 3.23Å; L153-F173 WeakPolarHBondContact O-CA 3.5Å; L153-F173 WeakPolarHBondContact O-CB 3.36Å; L153-I174 HydrophobicContact CB-CB 4.36Å; L153-I174 PolarHBondContact N-O 3.44Å; L153-I174 PolarHBondContact O-N 2.87Å; L153-L176 HydrophobicContact CB-CD1 3.86Å; L153-L176 HydrophobicContact CD2-CD1 4.39Å; L153-F232 HydrophobicContact CD2-CD1 4.13Å; L153-F232 HydrophobicContact CD2-CE1 4.26Å; L153-A233 HydrophobicContact CD1-CB 4.04Å; L153-A233 HydrophobicContact CD2-CB 3.82Å; L153-L236 HydrophobicContact CD2-CD1 4.26Å
154H97.7Very high97.4Very high61 Ų6156.4 Ų56.428%0.28228%0.283SS..  trans-91.8-20.5-174.8-57.3-71.9000113.5F136 T138F136-H154 PolarHBondContact O-N 2.78Å; F136-H154 VanDerWaalsContact O-N 3.13Å; T138-H154 PolarHBondContact OG1-NE2 2.9Å
155Q95.5Very high97.4Very high84 Ų8449.5 Ų49.539%0.39325%0.246SC..  trans-123.7124-169-65.6-174.858.200111.8D134 N135 F136D134-Q155 PolarHBondContact O-NE2 3.13Å; D134-Q155 VanDerWaalsContact O-NE2 3.14Å; N135-Q155 PolarHBondContact O-NE2 3.45Å; F136-Q155 HydrophobicContact CD2-CB 3.61Å; F136-Q155 HydrophobicContact CD2-CG 4.41Å; F136-Q155 HydrophobicContact CE2-CB 3.78Å; F136-Q155 HydrophobicContact CG-CB 4.45Å
156V96.6Very high97.4Very high17 Ų1747 Ų4710%0.10323%0.232CC..  trans-129.7168167.8-66.20000108L153 K158 L162 W163 M166 I174 V237L153-V156 HydrophobicContact CD2-CG1 4.44Å; V156-K158 PolarHBondContact O-N 3.48Å; V156-L162 HydrophobicContact CG1-CD2 4.17Å; V156-L162 HydrophobicContact CG2-CG 4.48Å; V156-W163 HydrophobicContact CG2-CB 4.03Å; V156-M166 HydrophobicContact CG2-SD 3.78Å; V156-I174 HydrophobicContact CG1-CD1 4.33Å; V156-V237 HydrophobicContact CB-CG2 4.44Å
157D96.5Very high97.3Very high88 Ų8851.7 Ų51.747%0.47125%0.251SS..  trans-59127.6179.4-166.2-22.8000111.3D159 S160 W163 V237D157-D159 VanDerWaalsContact C-N 3.29Å; D157-D159 PolarHBondContact O-N 2.97Å; D157-D159 PolarHBondContact OD1-N 3.01Å; D157-S160 VanDerWaalsContact O-CB 3.29Å; D157-S160 WeakPolarHBondContact O-CB 3.37Å; D157-S160 PolarHBondContact O-N 2.93Å; D157-S160 PolarHBondContact O-OG 3.3Å; D157-W163 WeakPolarHBondContact O-CB 3.46Å; D157-V237 HydrophobicContact CB-CB 4.46Å; D157-V237 HydrophobicContact CB-CG1 4.03Å; D157-V237 HydrophobicContact CB-CG2 3.76Å
158K96.4Very high97.2Very high142 Ų14255.2 Ų55.262%0.61727%0.268SS*.THydrogen-bonded Turntrans-68.7-28.6-173.4-64.3178.2-176.6172.50112.6V156 S160 W163V156-K158 PolarHBondContact O-N 3.48Å; K158-S160 PolarHBondContact O-N 3.39Å; K158-W163 HydrophobicContact CB-CD2 4.36Å; K158-W163 HydrophobicContact CB-CG 4.47Å; K158-W163 VanDerWaalsContact O-CE3 3.22Å
159D96.6Very high97Very high146 Ų14656.6 Ų56.678%0.78128%0.277SS*.THydrogen-bonded Turntrans-84.3-2.7-179.5-60.5-22.7000111.6D157D157-D159 VanDerWaalsContact C-N 3.29Å; D157-D159 PolarHBondContact O-N 2.97Å; D157-D159 PolarHBondContact OD1-N 3.01Å
160S97.3Very high96.8Very high13 Ų1361.7 Ų61.79%0.09131%0.313CS..SBendtrans-80.5148.2179.377.40000113.7D157 K158 L162 W163 Q164D157-S160 VanDerWaalsContact O-CB 3.29Å; D157-S160 WeakPolarHBondContact O-CB 3.37Å; D157-S160 PolarHBondContact O-N 2.93Å; D157-S160 PolarHBondContact O-OG 3.3Å; K158-S160 PolarHBondContact O-N 3.39Å; S160-L162 PolarHBondContact O-N 2.93Å; S160-L162 VanDerWaalsContact O-N 3.16Å; S160-L162 PolarHBondContact OG-N 3.36Å; S160-W163 PolarHBondContact O-N 3.42Å; S160-W163 VanDerWaalsContact O-N 3.07Å; S160-W163 PolarHBondContact OG-N 3.12Å; S160-Q164 PolarHBondContact O-N 3.27Å
161A97.1Very high96.6Very high40 Ų4061.3 Ų61.333%0.33131%0.312SS..Hα-helixtrans-59.7-23.5169.600000112.9D165A161-D165 WeakPolarHBondContact O-CB 3.36Å; A161-D165 PolarHBondContact O-N 3.04Å
162L97.6Very high96.5Very high2 Ų268.8 Ų68.81%0.0135%0.347CS..Hα-helixtrans-70.2-36.4174.6-175.855.9000112.4V156 S160 D165 M166 I174 L198 L236 G241 I243V156-L162 HydrophobicContact CG1-CD2 4.17Å; V156-L162 HydrophobicContact CG2-CG 4.48Å; S160-L162 PolarHBondContact O-N 2.93Å; S160-L162 VanDerWaalsContact O-N 3.16Å; S160-L162 PolarHBondContact OG-N 3.36Å; L162-D165 WeakPolarHBondContact O-CB 3.43Å; L162-D165 PolarHBondContact O-N 3.01Å; L162-M166 WeakPolarHBondContact O-CG 3.49Å; L162-M166 PolarHBondContact O-N 3.24Å; L162-I174 HydrophobicContact CD2-CD1 4.1Å; L162-L198 HydrophobicContact CD1-CD2 3.83Å; L162-L236 HydrophobicContact CD2-CB 3.71Å; L162-L236 HydrophobicContact CD2-CD1 4Å; L162-L236 HydrophobicContact CD2-CG 4.36Å; L162-G241 WeakPolarHBondContact CB-O 3.24Å; L162-I243 HydrophobicContact CD1-CG1 4.11Å
163W97.5Very high96.5Very high90 Ų9069.1 Ų69.134%0.34135%0.349SS..Hα-helixtrans-69.2-41.3175.1-177.292.1000111.5V156 D157 K158 S160 D165 M166 K167V156-W163 HydrophobicContact CG2-CB 4.03Å; D157-W163 WeakPolarHBondContact O-CB 3.46Å; K158-W163 HydrophobicContact CB-CD2 4.36Å; K158-W163 HydrophobicContact CB-CG 4.47Å; K158-W163 VanDerWaalsContact O-CE3 3.22Å; S160-W163 PolarHBondContact O-N 3.42Å; S160-W163 VanDerWaalsContact O-N 3.07Å; S160-W163 PolarHBondContact OG-N 3.12Å; W163-D165 VanDerWaalsContact C-N 3.34Å; W163-D165 PolarHBondContact O-N 3.01Å; W163-M166 PolarHBondContact O-N 2.99Å; W163-K167 HydrophobicContact CD2-CG 4.17Å; W163-K167 HydrophobicContact CE3-CG 4.18Å; W163-K167 HydrophobicContact CH2-CG 4.04Å; W163-K167 HydrophobicContact CZ2-CD 4.35Å; W163-K167 VanDerWaalsContact CZ2-CE 3.45Å; W163-K167 HydrophobicContact CZ2-CG 4.04Å; W163-K167 HydrophobicContact CZ3-CG 4.11Å; W163-K167 WeakPolarHBondContact O-CG 3.3Å; W163-K167 PolarHBondContact O-N 2.81Å
164Q97.3Very high96.5Very high96 Ų9669.1 Ų69.145%0.44935%0.349SS..Hα-helixtrans-58.4-46.9172.7-63.1172.87.100110.7S160 M166 K167 E168S160-Q164 PolarHBondContact O-N 3.27Å; Q164-M166 PolarHBondContact O-N 3.49Å; Q164-K167 PolarHBondContact O-N 2.87Å; Q164-K167 VanDerWaalsContact O-N 3.16Å; Q164-E168 PolarHBondContact O-N 2.98Å
165D96.5Very high96.5Very high0 Ų067.5 Ų67.50%034%0.342CS..Hα-helixtrans-54.6-50.1172.5-74.611.6000112.2A161 L162 W163 K167 E168 T169 R242 I243 R245A161-D165 WeakPolarHBondContact O-CB 3.36Å; A161-D165 PolarHBondContact O-N 3.04Å; L162-D165 WeakPolarHBondContact O-CB 3.43Å; L162-D165 PolarHBondContact O-N 3.01Å; W163-D165 VanDerWaalsContact C-N 3.34Å; W163-D165 PolarHBondContact O-N 3.01Å; D165-K167 VanDerWaalsContact C-N 3.25Å; D165-K167 PolarHBondContact O-N 3.2Å; D165-E168 PolarHBondContact O-N 3.25Å; D165-T169 PolarHBondContact O-N 2.96Å; D165-T169 PolarHBondContact O-OG1 3.38Å; D165-R242 VanDerWaalsContact CG-NE 3.29Å; D165-R242 IonicContact OD1-CZ 3.75Å; D165-R242 VanDerWaalsContact OD1-CZ 3.29Å; D165-R242 IonicContact OD1-NE 2.87Å; D165-R242 PolarHBondContact OD1-NE 2.87Å; D165-R242 IonicContact OD1-NH2 3.8Å; D165-R242 PolarHBondContact OD1-NH2 3.4Å; D165-R242 VanDerWaalsContact OD2-CA 3.28Å; D165-R242 WeakPolarHBondContact OD2-CA 3.27Å; D165-R242 WeakPolarHBondContact OD2-CB 3.48Å; D165-R242 IonicContact OD2-CZ 2.66Å; D165-R242 IonicContact OD2-NE 2.69Å; D165-R242 PolarHBondContact OD2-NE 3.34Å; D165-R242 IonicContact OD2-NH2 3.2Å; D165-I243 HydrophobicContact CB-CB 4.04Å; D165-I243 HydrophobicContact CB-CD1 4.03Å; D165-I243 HydrophobicContact CB-CG1 3.94Å; D165-I243 PolarHBondContact OD2-N 2.7Å; D165-R245 VanDerWaalsContact CG-NH2 3.34Å; D165-R245 IonicContact OD1-CZ 2.7Å; D165-R245 VanDerWaalsContact OD1-CZ 3.26Å; D165-R245 IonicContact OD1-NH1 3.15Å; D165-R245 PolarHBondContact OD1-NH1 2.91Å; D165-R245 IonicContact OD1-NH2 2.73Å; D165-R245 PolarHBondContact OD1-NH2 2.82Å; D165-R245 IonicContact OD2-CZ 2.71Å; D165-R245 IonicContact OD2-NH1 3.13Å; D165-R245 PolarHBondContact OD2-NH1 2.85Å; D165-R245 IonicContact OD2-NH2 2.74Å
166M96.4Very high96.6Very high12 Ų1263.5 Ų63.56%0.05932%0.324CS..Hα-helixtrans-60.2-33.3178.8-76.5177.470.600112.7V156 L162 W163 Q164 S170 T171 I174 I243V156-M166 HydrophobicContact CG2-SD 3.78Å; L162-M166 WeakPolarHBondContact O-CG 3.49Å; L162-M166 PolarHBondContact O-N 3.24Å; W163-M166 PolarHBondContact O-N 2.99Å; Q164-M166 PolarHBondContact O-N 3.49Å; M166-S170 PolarHBondContact O-N 3.42Å; M166-T171 VanDerWaalsContact CE-O 3.27Å; M166-T171 WeakPolarHBondContact CE-O 3.47Å; M166-T171 PolarHBondContact O-N 3.33Å; M166-I174 HydrophobicContact CE-CG1 4.49Å; M166-I174 HydrophobicContact SD-CD1 4.21Å; M166-I174 HydrophobicContact SD-CG1 4.23Å; M166-I243 HydrophobicContact CB-CD1 4.45Å; M166-I243 HydrophobicContact CG-CD1 3.79Å
167K96.6Very high96.7Very high134 Ų13462.9 Ų62.958%0.58332%0.32SS*.Hα-helixtrans-73.3-45.2174.3-66.2-54.2-178.5-170.30112.6W163 Q164 D165 T169 S170W163-K167 HydrophobicContact CD2-CG 4.17Å; W163-K167 HydrophobicContact CE3-CG 4.18Å; W163-K167 HydrophobicContact CH2-CG 4.04Å; W163-K167 HydrophobicContact CZ2-CD 4.35Å; W163-K167 VanDerWaalsContact CZ2-CE 3.45Å; W163-K167 HydrophobicContact CZ2-CG 4.04Å; W163-K167 HydrophobicContact CZ3-CG 4.11Å; W163-K167 WeakPolarHBondContact O-CG 3.3Å; W163-K167 PolarHBondContact O-N 2.81Å; Q164-K167 PolarHBondContact O-N 2.87Å; Q164-K167 VanDerWaalsContact O-N 3.16Å; D165-K167 VanDerWaalsContact C-N 3.25Å; D165-K167 PolarHBondContact O-N 3.2Å; K167-T169 PolarHBondContact O-N 3Å; K167-S170 PolarHBondContact O-N 2.94Å
168E95.1Very high96.8Very high127 Ų12758.8 Ų58.859%0.59330%0.298SS*.Hα-helixtrans-61.4-42.1176.1-75.4177.6-144.800112.7Q164 D165 S170 R245Q164-E168 PolarHBondContact O-N 2.98Å; D165-E168 PolarHBondContact O-N 3.25Å; E168-S170 VanDerWaalsContact C-N 3.3Å; E168-S170 PolarHBondContact O-N 2.77Å; E168-R245 IonicContact OE1-NH2 2.74Å; E168-R245 PolarHBondContact OE1-NH2 2.98Å; E168-R245 IonicContact OE2-CZ 2.71Å; E168-R245 IonicContact OE2-NE 3.95Å; E168-R245 PolarHBondContact OE2-NE 3.01Å; E168-R245 VanDerWaalsContact OE2-NE 3.11Å; E168-R245 IonicContact OE2-NH2 2.79Å; E168-R245 PolarHBondContact OE2-NH2 2.86Å
169T93.2Very high96.9Very high50 Ų5053.3 Ų53.331%0.30728%0.276SS..THydrogen-bonded Turntrans-90.714.1-178.1660000113.5D165 K167 T171 I243 R245D165-T169 PolarHBondContact O-N 2.96Å; D165-T169 PolarHBondContact O-OG1 3.38Å; K167-T169 PolarHBondContact O-N 3Å; T169-T171 PolarHBondContact O-N 2.88Å; T169-T171 PolarHBondContact O-OG1 3.02Å; T169-T171 PolarHBondContact OG1-OG1 2.9Å; T169-I243 HydrophobicContact CG2-CG2 4.13Å; T169-I243 VanDerWaalsContact OG1-CD1 3.31Å; T169-I243 WeakPolarHBondContact OG1-CD1 3.41Å; T169-R245 HydrophobicContact CG2-CG 4.45Å
170S95.2Very high97Very high108 Ų10846.4 Ų46.476%0.75524%0.239SC*.THydrogen-bonded Turntrans4639.4-178.7-60.60000113.3M166 K167 E168M166-S170 PolarHBondContact O-N 3.42Å; K167-S170 PolarHBondContact O-N 2.94Å; E168-S170 VanDerWaalsContact C-N 3.3Å; E168-S170 PolarHBondContact O-N 2.77Å
171T95.2Very high97Very high33 Ų3347.9 Ų47.920%0.20225%0.248CC..  trans-98.4103.7-172.7-60.60000109.4M166 T169 F173 P196 I243M166-T171 VanDerWaalsContact CE-O 3.27Å; M166-T171 WeakPolarHBondContact CE-O 3.47Å; M166-T171 PolarHBondContact O-N 3.33Å; T169-T171 PolarHBondContact O-N 2.88Å; T169-T171 PolarHBondContact O-OG1 3.02Å; T169-T171 PolarHBondContact OG1-OG1 2.9Å; T171-F173 WeakPolarHBondContact CG2-O 3.48Å; T171-P196 HydrophobicContact CG2-CG 4.08Å; T171-I243 HydrophobicContact CG2-CD1 4.3Å
172E95.9Very high97Very high157 Ų15751.3 Ų51.373%0.73426%0.261SS*.  trans-67.4-36.8-175-59.7-177.9110.900113.2
173F97.6Very high96.9Very high52 Ų5254.9 Ų54.923%0.22828%0.28CS..  trans-147.3156.4-176.953-95.2000112.9K152 L153 T171 L175K152-F173 HydrophobicContact CB-CB 4.06Å; K152-F173 HydrophobicContact CB-CD1 4.46Å; K152-F173 HydrophobicContact CB-CD2 3.96Å; K152-F173 HydrophobicContact CB-CG 3.9Å; K152-F173 HydrophobicContact CD-CD1 4.28Å; K152-F173 HydrophobicContact CD-CD2 4.29Å; K152-F173 HydrophobicContact CD-CE1 4.13Å; K152-F173 HydrophobicContact CD-CE2 4.12Å; K152-F173 HydrophobicContact CD-CG 4.38Å; K152-F173 HydrophobicContact CD-CZ 4.04Å; K152-F173 HydrophobicContact CG-CD1 4.42Å; K152-F173 HydrophobicContact CG-CD2 3.69Å; K152-F173 HydrophobicContact CG-CE2 3.84Å; K152-F173 HydrophobicContact CG-CG 4.01Å; K152-F173 HydrophobicContact CG-CZ 4.29Å; L153-F173 CarbonylContact O-C 3.58Å; L153-F173 VanDerWaalsContact O-CA 3.23Å; L153-F173 WeakPolarHBondContact O-CA 3.5Å; L153-F173 WeakPolarHBondContact O-CB 3.36Å; T171-F173 WeakPolarHBondContact CG2-O 3.48Å; F173-L175 HydrophobicContact CD2-CB 4.04Å; F173-L175 HydrophobicContact CD2-CD1 4.5Å; F173-L175 HydrophobicContact CE2-CB 4.01Å; F173-L175 HydrophobicContact CE2-CD1 4.2Å
174I98.1Very high96.9Very high0 Ų050.7 Ų50.70%026%0.264CS..EExtended strand (participates in β ladder)trans-91.6115.9163.4-59.6170.3000107.2L153 V156 L162 M166 L176 V193 L198 L236L153-I174 HydrophobicContact CB-CB 4.36Å; L153-I174 PolarHBondContact N-O 3.44Å; L153-I174 PolarHBondContact O-N 2.87Å; V156-I174 HydrophobicContact CG1-CD1 4.33Å; L162-I174 HydrophobicContact CD2-CD1 4.1Å; M166-I174 HydrophobicContact CE-CG1 4.49Å; M166-I174 HydrophobicContact SD-CD1 4.21Å; M166-I174 HydrophobicContact SD-CG1 4.23Å; I174-L176 HydrophobicContact CG2-CG 4.41Å; I174-V193 HydrophobicContact CG2-CG1 4.17Å; I174-L198 HydrophobicContact CD1-CD1 4.24Å; I174-L198 HydrophobicContact CG2-CD1 4.13Å; I174-L236 HydrophobicContact CD1-CD1 3.61Å
175L98.3Very high96.9Very high27 Ų2746.6 Ų46.614%0.14125%0.246CC..EExtended strand (participates in β ladder)trans-86.6128.2179.1-171.967.6000110.3N150 K152 F173 L194 T195N150-L175 HydrophobicContact CB-CD1 4.3Å; K152-L175 HydrophobicContact CG-CD1 3.63Å; F173-L175 HydrophobicContact CD2-CB 4.04Å; F173-L175 HydrophobicContact CD2-CD1 4.5Å; F173-L175 HydrophobicContact CE2-CB 4.01Å; F173-L175 HydrophobicContact CE2-CD1 4.2Å; L175-L194 HydrophobicContact CB-CB 4.28Å; L175-L194 HydrophobicContact CD2-CB 4.08Å; L175-L194 HydrophobicContact CD2-CD1 3.75Å; L175-L194 HydrophobicContact CD2-CG 4.45Å; L175-L194 HydrophobicContact CG-CB 4.13Å; L175-L194 HydrophobicContact CG-CD1 3.96Å; L175-L194 HydrophobicContact CG-CG 4.35Å; L175-L194 WeakPolarHBondContact O-CB 3.35Å; L175-L194 PolarHBondContact O-N 2.78Å; L175-T195 HydrophobicContact CB-CG2 3.73Å; L175-T195 HydrophobicContact CD2-CG2 4Å; L175-T195 PolarHBondContact N-O 3.47Å; L175-T195 PolarHBondContact O-N 3.1Å
176L98.6Very high96.9Very high0 Ų052.6 Ų52.60%027%0.272CS..EExtended strand (participates in β ladder)trans-123.2153.8-177.7-65.2138.9000109.5N150 V151 L153 I174 M191 R192 V193 I209 M229 F232N150-L176 CarbonylContact C-O 3.58Å; N150-L176 WeakPolarHBondContact CA-O 3.47Å; V151-L176 HydrophobicContact CB-CB 4.44Å; V151-L176 PolarHBondContact N-O 2.96Å; V151-L176 PolarHBondContact O-N 3.47Å; L153-L176 HydrophobicContact CB-CD1 3.86Å; L153-L176 HydrophobicContact CD2-CD1 4.39Å; I174-L176 HydrophobicContact CG2-CG 4.41Å; L176-M191 HydrophobicContact CD1-CE 4.37Å; L176-M191 HydrophobicContact CD2-CE 3.9Å; L176-R192 CarbonylContact C-O 3.55Å; L176-R192 VanDerWaalsContact CA-O 3.31Å; L176-R192 WeakPolarHBondContact CA-O 3.32Å; L176-V193 HydrophobicContact CD2-CB 4.49Å; L176-V193 HydrophobicContact CD2-CG2 3.91Å; L176-I209 HydrophobicContact CD2-CD1 3.99Å; L176-M229 HydrophobicContact CD1-SD 3.94Å; L176-F232 HydrophobicContact CD1-CD1 4.05Å; L176-F232 HydrophobicContact CD1-CE1 3.87Å; L176-F232 HydrophobicContact CD2-CD1 4.04Å; L176-F232 HydrophobicContact CD2-CE1 3.44Å; L176-F232 VanDerWaalsContact CD2-CE1 3.44Å; L176-F232 HydrophobicContact CD2-CZ 3.87Å; L176-F232 HydrophobicContact CG-CE1 4.22Å
177N98.6Very high96.9Very high4 Ų453.8 Ų53.82%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-121.6134.6171.5166.6-129.9000109.9D148 W149 M191 R192 L194D148-N177 PolarHBondContact OD1-ND2 2.8Å; W149-N177 CarbonylContact O-C 3.57Å; W149-N177 VanDerWaalsContact O-CA 3.3Å; W149-N177 WeakPolarHBondContact O-CA 3.33Å; W149-N177 PolarHBondContact O-ND2 2.7Å; N177-M191 WeakPolarHBondContact O-CA 3.23Å; N177-R192 HydrophobicContact CB-CG 4.12Å; N177-R192 PolarHBondContact N-O 3.46Å; N177-R192 PolarHBondContact O-N 2.74Å; N177-R192 VanDerWaalsContact OD1-CZ 3.23Å; N177-R192 PolarHBondContact OD1-NE 3.1Å; N177-R192 PolarHBondContact OD1-NH2 3.49Å; N177-L194 HydrophobicContact CB-CD1 4.04Å; N177-L194 HydrophobicContact CB-CD2 3.76Å; N177-L194 HydrophobicContact CB-CG 3.94Å
178V98.7Very high97Very high2 Ų248.3 Ų48.31%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-128.5104.7-174.2-167.50000109.1W149 V151 F180 P189 F190 M191 M229W149-V178 HydrophobicContact CB-CB 4.47Å; W149-V178 PolarHBondContact N-O 3.3Å; W149-V178 PolarHBondContact O-N 3.37Å; V151-V178 HydrophobicContact CG2-CG2 3.81Å; V178-F180 HydrophobicContact CB-CE2 4.2Å; V178-F180 HydrophobicContact CB-CZ 4.23Å; V178-F180 HydrophobicContact CG1-CD2 4.48Å; V178-F180 HydrophobicContact CG1-CE1 3.88Å; V178-F180 HydrophobicContact CG1-CE2 3.79Å; V178-F180 HydrophobicContact CG1-CZ 3.46Å; V178-F180 VanDerWaalsContact CG1-CZ 3.46Å; V178-P189 HydrophobicContact CG1-CB 3.67Å; V178-P189 HydrophobicContact CG1-CG 4.28Å; V178-F190 WeakPolarHBondContact CA-O 3.4Å; V178-M191 HydrophobicContact CG2-CG 4.2Å; V178-M229 HydrophobicContact CG2-CE 3.41Å; V178-M229 VanDerWaalsContact CG2-CE 3.41Å
179T98.5Very high97.1Very high26 Ų2642.6 Ų42.616%0.1623%0.234CC..EExtended strand (participates in β ladder)trans-100.3123.1174.9-43.90000109.9D148 P189 F190 R256D148-T179 HydrophobicContact CB-CG2 4.37Å; D148-T179 VanDerWaalsContact CG-OG1 3.25Å; D148-T179 WeakPolarHBondContact OD1-CA 3Å; D148-T179 WeakPolarHBondContact OD1-CB 3.36Å; D148-T179 PolarHBondContact OD1-OG1 2.73Å; D148-T179 PolarHBondContact OD2-OG1 3.24Å; T179-P189 WeakPolarHBondContact O-CA 3.41Å; T179-F190 PolarHBondContact N-O 3.43Å; T179-F190 PolarHBondContact O-N 2.71Å; T179-R256 PolarHBondContact OG1-NH1 3.24Å
180F98.4Very high97.4Very high2 Ų241.8 Ų41.81%0.00923%0.227CC..PPolyproline II helixtrans-93128.2-177.9-59.4-88.4000111R118 L122 F147 W149 V178 F184 P189 V225R118-F180 PolarHBondContact NH2-O 2.78Å; L122-F180 HydrophobicContact CD1-CB 4.18Å; L122-F180 HydrophobicContact CD1-CD2 4.46Å; L122-F180 HydrophobicContact CD1-CG 4.26Å; L122-F180 HydrophobicContact CD2-CB 4.29Å; L122-F180 HydrophobicContact CD2-CD1 3.5Å; L122-F180 HydrophobicContact CD2-CD2 3.73Å; L122-F180 HydrophobicContact CD2-CE1 3.61Å; L122-F180 HydrophobicContact CD2-CE2 3.87Å; L122-F180 HydrophobicContact CD2-CG 3.55Å; L122-F180 HydrophobicContact CD2-CZ 3.79Å; F147-F180 PolarHBondContact O-N 3.32Å; W149-F180 HydrophobicContact CB-CE2 4.47Å; W149-F180 AromaticContact CD1-CE2 3.95Å; W149-F180 AromaticContact CD2-CE2 3.46Å; W149-F180 HydrophobicContact CD2-CE2 3.46Å; W149-F180 VanDerWaalsContact CD2-CE2 3.46Å; W149-F180 AromaticContact CD2-CZ 3.89Å; W149-F180 HydrophobicContact CD2-CZ 3.89Å; W149-F180 AromaticContact CE2-CE2 3.5Å; W149-F180 AromaticContact CE3-CE2 3.89Å; W149-F180 HydrophobicContact CE3-CE2 3.89Å; W149-F180 AromaticContact CE3-CZ 3.81Å; W149-F180 HydrophobicContact CE3-CZ 3.81Å; W149-F180 AromaticContact CG-CE2 3.75Å; W149-F180 HydrophobicContact CG-CE2 3.75Å; W149-F180 HydrophobicContact CH2-CE2 4.36Å; W149-F180 HydrophobicContact CH2-CZ 4.05Å; W149-F180 AromaticContact CZ2-CE2 3.96Å; W149-F180 HydrophobicContact CZ2-CE2 3.96Å; W149-F180 HydrophobicContact CZ2-CZ 4.1Å; W149-F180 HydrophobicContact CZ3-CE2 4.33Å; W149-F180 AromaticContact CZ3-CZ 3.91Å; W149-F180 HydrophobicContact CZ3-CZ 3.91Å; W149-F180 AromaticContact NE1-CE2 3.77Å; V178-F180 HydrophobicContact CB-CE2 4.2Å; V178-F180 HydrophobicContact CB-CZ 4.23Å; V178-F180 HydrophobicContact CG1-CD2 4.48Å; V178-F180 HydrophobicContact CG1-CE1 3.88Å; V178-F180 HydrophobicContact CG1-CE2 3.79Å; V178-F180 HydrophobicContact CG1-CZ 3.46Å; V178-F180 VanDerWaalsContact CG1-CZ 3.46Å; F180-F184 HydrophobicContact CB-CB 4.31Å; F180-F184 HydrophobicContact CB-CG 4.26Å; F180-F184 HydrophobicContact CD1-CD1 4.08Å; F180-F184 AromaticContact CD1-CD2 3.75Å; F180-F184 HydrophobicContact CD1-CD2 3.75Å; F180-F184 AromaticContact CD1-CE1 3.97Å; F180-F184 HydrophobicContact CD1-CE1 3.97Å; F180-F184 AromaticContact CD1-CE2 3.66Å; F180-F184 HydrophobicContact CD1-CE2 3.66Å; F180-F184 AromaticContact CD1-CG 3.97Å; F180-F184 HydrophobicContact CD1-CG 3.97Å; F180-F184 AromaticContact CD1-CZ 3.77Å; F180-F184 HydrophobicContact CD1-CZ 3.77Å; F180-F184 HydrophobicContact CE1-CE1 4.33Å; F180-F184 HydrophobicContact CE1-CE2 4Å; F180-F184 AromaticContact CE1-CZ 3.88Å; F180-F184 HydrophobicContact CE1-CZ 3.88Å; F180-P189 HydrophobicContact CD1-CB 3.74Å; F180-P189 HydrophobicContact CE1-CB 3.91Å; F180-P189 HydrophobicContact CE1-CG 4.39Å; F180-P189 HydrophobicContact CG-CB 4.46Å; F180-V225 HydrophobicContact CE1-CG2 3.77Å; F180-V225 HydrophobicContact CZ-CG2 3.94Å
181P97.3Very high97.5Very high43 Ų4336.9 Ų36.928%0.27919%0.192SC..PPolyproline II helixtrans-71.1162.9178.630.5-37.5000112.6R118 N183 F184 P188R118-P181 WeakPolarHBondContact CD-O 3.29Å; R118-P181 PolarHBondContact NE-O 3.13Å; R118-P181 VanDerWaalsContact NE-O 3.08Å; P181-N183 PolarHBondContact O-N 3.19Å; P181-N183 VanDerWaalsContact O-N 3.14Å; P181-F184 HydrophobicContact CG-CB 4.15Å; P181-F184 WeakPolarHBondContact O-CB 3.3Å; P181-F184 PolarHBondContact O-N 3.31Å; P181-P188 VanDerWaalsContact CD-O 3.31Å; P181-P188 WeakPolarHBondContact CD-O 3.31Å; P181-P188 VanDerWaalsContact CG-O 3.32Å; P181-P188 WeakPolarHBondContact CG-O 3.32Å
182D96.3Very high97.7Very high113 Ų11336.7 Ų36.760%0.60419%0.187SC*.THydrogen-bonded Turntrans-58.3-27.4178.3-66.1-17.8000113.7R118R118-D182 IonicContact CZ-OD1 3.34Å; R118-D182 IonicContact NH1-OD1 2.69Å; R118-D182 PolarHBondContact NH1-OD1 3.25Å; R118-D182 IonicContact NH2-OD1 3.11Å; R118-D182 PolarHBondContact NH2-OD1 3.07Å; R118-D182 VanDerWaalsContact NH2-OD1 3.1Å
183N95.3Very high97.8Very high77 Ų7729.2 Ų29.241%0.41215%0.152SC..THydrogen-bonded Turntrans-94.311.5178.2-162.740.5000113.7P181 F186 S187P181-N183 PolarHBondContact O-N 3.19Å; P181-N183 VanDerWaalsContact O-N 3.14Å; N183-F186 WeakPolarHBondContact O-CA 3.5Å; N183-F186 WeakPolarHBondContact O-CB 3.26Å; N183-F186 PolarHBondContact O-N 3.38Å; N183-S187 PolarHBondContact ND2-OG 2.78Å; N183-S187 VanDerWaalsContact ND2-OG 3.15Å; N183-S187 PolarHBondContact O-N 3.12Å
184F97.5Very high97.8Very high1 Ų128.7 Ų28.70%0.00415%0.152CC..THydrogen-bonded Turntrans-64134.5174.4180-96.7000110.5R118 R121 L122 F180 P181 W219R118-F184 WeakPolarHBondContact CA-O 3.36Å; R118-F184 WeakPolarHBondContact CB-O 3.31Å; R118-F184 HydrophobicContact CG-CB 4.33Å; R121-F184 HydrophobicContact CB-CE1 4.3Å; R121-F184 HydrophobicContact CG-CD1 4.35Å; R121-F184 HydrophobicContact CG-CE1 3.64Å; R121-F184 HydrophobicContact CG-CZ 4.31Å; L122-F184 HydrophobicContact CD1-CD1 4.33Å; L122-F184 HydrophobicContact CD2-CD1 3.83Å; L122-F184 HydrophobicContact CD2-CE1 3.42Å; L122-F184 VanDerWaalsContact CD2-CE1 3.42Å; L122-F184 HydrophobicContact CD2-CZ 4.16Å; L122-F184 HydrophobicContact CG-CD1 3.9Å; L122-F184 HydrophobicContact CG-CE1 3.8Å; F180-F184 HydrophobicContact CB-CB 4.31Å; F180-F184 HydrophobicContact CB-CG 4.26Å; F180-F184 HydrophobicContact CD1-CD1 4.08Å; F180-F184 AromaticContact CD1-CD2 3.75Å; F180-F184 HydrophobicContact CD1-CD2 3.75Å; F180-F184 AromaticContact CD1-CE1 3.97Å; F180-F184 HydrophobicContact CD1-CE1 3.97Å; F180-F184 AromaticContact CD1-CE2 3.66Å; F180-F184 HydrophobicContact CD1-CE2 3.66Å; F180-F184 AromaticContact CD1-CG 3.97Å; F180-F184 HydrophobicContact CD1-CG 3.97Å; F180-F184 AromaticContact CD1-CZ 3.77Å; F180-F184 HydrophobicContact CD1-CZ 3.77Å; F180-F184 HydrophobicContact CE1-CE1 4.33Å; F180-F184 HydrophobicContact CE1-CE2 4Å; F180-F184 AromaticContact CE1-CZ 3.88Å; F180-F184 HydrophobicContact CE1-CZ 3.88Å; P181-F184 HydrophobicContact CG-CB 4.15Å; P181-F184 WeakPolarHBondContact O-CB 3.3Å; P181-F184 PolarHBondContact O-N 3.31Å; F184-W219 HydrophobicContact CD2-CZ2 4.34Å; F184-W219 HydrophobicContact CE2-CH2 4.06Å; F184-W219 AromaticContact CE2-CZ2 3.78Å; F184-W219 HydrophobicContact CE2-CZ2 3.78Å
185P96.9Very high97.6Very high10 Ų1032.2 Ų32.27%0.06517%0.173CC..THydrogen-bonded Turncis-95.110.212.438.1-36.9000115.8R121 S187 W219 S221R121-P185 HydrophobicContact CG-CB 4.16Å; R121-P185 HydrophobicContact CG-CG 4.11Å; P185-S187 PolarHBondContact O-N 3.33Å; P185-W219 PolarHBondContact O-NE1 3.37Å; P185-S221 WeakPolarHBondContact O-CA 3.35Å; P185-S221 WeakPolarHBondContact O-CB 3.26Å
186F97.1Very high97.4Very high126 Ų12631.5 Ų31.555%0.55317%0.17SC*.SBendtrans-77-6178.4-48.4-71.3000113.4V117 N183V117-F186 HydrophobicContact CG1-CE2 4.02Å; V117-F186 HydrophobicContact CG1-CZ 4.26Å; N183-F186 WeakPolarHBondContact O-CA 3.5Å; N183-F186 WeakPolarHBondContact O-CB 3.26Å; N183-F186 PolarHBondContact O-N 3.38Å
187S97.2Very high97.2Very high38 Ų3834 Ų3427%0.26618%0.18SC..SBendtrans-137.3145.6173.5-54.90000109.6N183 P185N183-S187 PolarHBondContact ND2-OG 2.78Å; N183-S187 VanDerWaalsContact ND2-OG 3.15Å; N183-S187 PolarHBondContact O-N 3.12Å; P185-S187 PolarHBondContact O-N 3.33Å
188P97.9Very high96.9Very high19 Ų1934 Ų3412%0.12318%0.18CC..PPolyproline II helixtrans-65.1151.2-174.523.2-32.2000112.8P181 L214 W219P181-P188 VanDerWaalsContact CD-O 3.31Å; P181-P188 WeakPolarHBondContact CD-O 3.31Å; P181-P188 VanDerWaalsContact CG-O 3.32Å; P181-P188 WeakPolarHBondContact CG-O 3.32Å; P188-L214 WeakPolarHBondContact CB-O 3.39Å; P188-L214 WeakPolarHBondContact CG-O 3.48Å; P188-W219 HydrophobicContact CB-CB 3.87Å; P188-W219 HydrophobicContact CB-CD2 3.67Å; P188-W219 HydrophobicContact CB-CE3 3.84Å; P188-W219 HydrophobicContact CB-CG 3.66Å; P188-W219 HydrophobicContact CG-CB 4.01Å; P188-W219 HydrophobicContact CG-CG 4.13Å
189P98.2Very high96.6Very high7 Ų737 Ų375%0.04519%0.194CC..PPolyproline II helixtrans-65.9147.5164.730.7-33.7000110.7V178 T179 F180 W219V178-P189 HydrophobicContact CG1-CB 3.67Å; V178-P189 HydrophobicContact CG1-CG 4.28Å; T179-P189 WeakPolarHBondContact O-CA 3.41Å; F180-P189 HydrophobicContact CD1-CB 3.74Å; F180-P189 HydrophobicContact CE1-CB 3.91Å; F180-P189 HydrophobicContact CE1-CG 4.39Å; F180-P189 HydrophobicContact CG-CB 4.46Å; P189-W219 HydrophobicContact CG-CH2 4.45Å; P189-W219 HydrophobicContact CG-CZ3 4.38Å
190F98.4Very high96.4Very high33 Ų3340.5 Ų40.515%0.14521%0.212CC..EExtended strand (participates in β ladder)trans-82.8119.1165.4178.4-116.6000108.9V178 T179 A259 E260 F263V178-F190 WeakPolarHBondContact CA-O 3.4Å; T179-F190 PolarHBondContact N-O 3.43Å; T179-F190 PolarHBondContact O-N 2.71Å; F190-A259 HydrophobicContact CZ-CB 3.91Å; F190-E260 HydrophobicContact CD1-CG 4.41Å; F190-E260 HydrophobicContact CE1-CG 3.63Å; F190-E260 HydrophobicContact CE2-CG 4.29Å; F190-E260 HydrophobicContact CZ-CB 4.31Å; F190-E260 HydrophobicContact CZ-CG 3.57Å; F190-F263 HydrophobicContact CD2-CD1 4.26Å; F190-F263 HydrophobicContact CD2-CG 4.37Å; F190-F263 HydrophobicContact CE2-CB 3.98Å; F190-F263 HydrophobicContact CE2-CD1 4.26Å; F190-F263 HydrophobicContact CE2-CG 4.06Å
191M98.4Very high96.2Very high5 Ų540.5 Ų40.53%0.02521%0.212CC..EExtended strand (participates in β ladder)trans-124.1134.8-174-175.4179.7160.900110.5L176 N177 V178 I209 L214 V228 M229 F232L176-M191 HydrophobicContact CD1-CE 4.37Å; L176-M191 HydrophobicContact CD2-CE 3.9Å; N177-M191 WeakPolarHBondContact O-CA 3.23Å; V178-M191 HydrophobicContact CG2-CG 4.2Å; M191-I209 HydrophobicContact CB-CD1 4.41Å; M191-I209 HydrophobicContact CE-CD1 3.94Å; M191-I209 HydrophobicContact CG-CD1 3.78Å; M191-I209 HydrophobicContact SD-CD1 4.31Å; M191-L214 HydrophobicContact CB-CD1 4.13Å; M191-L214 HydrophobicContact CB-CD2 4.19Å; M191-L214 HydrophobicContact SD-CD1 4.27Å; M191-L214 HydrophobicContact SD-CD2 4.29Å; M191-V228 HydrophobicContact SD-CG1 3.71Å; M191-M229 HydrophobicContact CE-CE 3.51Å; M191-M229 HydrophobicContact CE-SD 3.52Å; M191-M229 VanDerWaalsContact CE-SD 3.52Å; M191-M229 HydrophobicContact CG-CE 4.47Å; M191-M229 HydrophobicContact SD-CE 3.79Å; M191-M229 HydrophobicContact SD-SD 4.5Å; M191-F232 HydrophobicContact CE-CB 3.88Å; M191-F232 HydrophobicContact CE-CD1 3.79Å; M191-F232 HydrophobicContact CE-CD2 4.44Å; M191-F232 HydrophobicContact CE-CE1 4.5Å; M191-F232 HydrophobicContact CE-CG 3.75Å
192R98.3Very high96.1Very high29 Ų2942.4 Ų42.411%0.10921%0.214CC..EExtended strand (participates in β ladder)trans-147.8153.5-177.565.2-177-179.6103.47.1112.5L176 N177 L194 G207 A259L176-R192 CarbonylContact C-O 3.55Å; L176-R192 VanDerWaalsContact CA-O 3.31Å; L176-R192 WeakPolarHBondContact CA-O 3.32Å; N177-R192 HydrophobicContact CB-CG 4.12Å; N177-R192 PolarHBondContact N-O 3.46Å; N177-R192 PolarHBondContact O-N 2.74Å; N177-R192 VanDerWaalsContact OD1-CZ 3.23Å; N177-R192 PolarHBondContact OD1-NE 3.1Å; N177-R192 PolarHBondContact OD1-NH2 3.49Å; R192-L194 HydrophobicContact CG-CD2 4.46Å; R192-G207 CarbonylContact C-O 3.55Å; R192-G207 VanDerWaalsContact CA-O 3.26Å; R192-G207 WeakPolarHBondContact CA-O 3.47Å; R192-G207 WeakPolarHBondContact CB-O 3.45Å; R192-A259 HydrophobicContact CB-CB 4.25Å
193V98.3Very high96.1Very high0 Ų037.6 Ų37.60%019%0.188CC..EExtended strand (participates in β ladder)trans-77.3140.2170.2-1730000110I174 L176 L198 V203 G207 I209 F232 F254I174-V193 HydrophobicContact CG2-CG1 4.17Å; L176-V193 HydrophobicContact CD2-CB 4.49Å; L176-V193 HydrophobicContact CD2-CG2 3.91Å; V193-L198 HydrophobicContact CG1-CD1 4.25Å; V193-L198 HydrophobicContact CG2-CD1 4.42Å; V193-V203 HydrophobicContact CB-CG1 4.35Å; V193-V203 HydrophobicContact CG2-CG1 3.84Å; V193-V203 HydrophobicContact CG2-CG2 3.89Å; V193-G207 PolarHBondContact N-O 3Å; V193-I209 HydrophobicContact CG2-CD1 4.41Å; V193-I209 HydrophobicContact CG2-CG1 4.33Å; V193-F232 HydrophobicContact CG2-CZ 3.92Å; V193-F254 HydrophobicContact CB-CD2 4Å; V193-F254 HydrophobicContact CB-CE2 3.91Å; V193-F254 HydrophobicContact CG1-CD2 3.95Å; V193-F254 HydrophobicContact CG1-CE2 3.77Å
194L96.7Very high96Very high41 Ų4137.2 Ų37.222%0.21519%0.186CC..EExtended strand (participates in β ladder)trans-101.6-54.6170.6-60.5-166.1000111.6L175 N177 R192L175-L194 HydrophobicContact CB-CB 4.28Å; L175-L194 HydrophobicContact CD2-CB 4.08Å; L175-L194 HydrophobicContact CD2-CD1 3.75Å; L175-L194 HydrophobicContact CD2-CG 4.45Å; L175-L194 HydrophobicContact CG-CB 4.13Å; L175-L194 HydrophobicContact CG-CD1 3.96Å; L175-L194 HydrophobicContact CG-CG 4.35Å; L175-L194 WeakPolarHBondContact O-CB 3.35Å; L175-L194 PolarHBondContact O-N 2.78Å; N177-L194 HydrophobicContact CB-CD1 4.04Å; N177-L194 HydrophobicContact CB-CD2 3.76Å; N177-L194 HydrophobicContact CB-CG 3.94Å; R192-L194 HydrophobicContact CG-CD2 4.46Å
195T95.1Very high95.8Very high74 Ų7442 Ų4245%0.45421%0.212SC..EExtended strand (participates in β ladder)trans-159.3148.1-176.7-176.90000109.6L175L175-T195 HydrophobicContact CB-CG2 3.73Å; L175-T195 HydrophobicContact CD2-CG2 4Å; L175-T195 PolarHBondContact N-O 3.47Å; L175-T195 PolarHBondContact O-N 3.1Å
196P94.8Very high95.6Very high12 Ų1241.5 Ų41.58%0.07821%0.209CC..SBendcis-65.3169.4-6.231.4-38000112.5T171 L198 I243T171-P196 HydrophobicContact CG2-CG 4.08Å; P196-L198 HydrophobicContact CG-CD2 4Å; P196-L198 HydrophobicContact CG-CG 4.41Å; P196-L198 PolarHBondContact O-N 3.21Å; P196-I243 HydrophobicContact CB-CD1 4.41Å; P196-I243 HydrophobicContact CB-CG1 4.35Å; P196-I243 HydrophobicContact CB-CG2 4.05Å; P196-I243 HydrophobicContact CG-CD1 3.92Å; P196-I243 HydrophobicContact CG-CG1 3.9Å
197R92.8Very high95.6Very high51 Ų5135.5 Ų35.519%0.19218%0.182CC..PPolyproline II helixtrans-71.1116.3164.9176.1173.7-87.8-88.75.8108.2C244 S250 K252 F254R197-C244 HydrophobicContact CB-CB 4.13Å; R197-C244 HydrophobicContact CG-CB 3.85Å; R197-C244 VanDerWaalsContact O-CB 3.24Å; R197-C244 WeakPolarHBondContact O-CB 3.47Å; R197-C244 PolarHBondContact O-N 3.31Å; R197-S250 PolarHBondContact NE-O 3.11Å; R197-K252 PolarHBondContact NE-O 3.42Å; R197-K252 PolarHBondContact NH2-O 3.36Å; R197-F254 HydrophobicContact CB-CE2 4.41Å; R197-F254 HydrophobicContact CB-CZ 4.35Å; R197-F254 HydrophobicContact CG-CE1 4.13Å; R197-F254 HydrophobicContact CG-CE2 4.42Å; R197-F254 HydrophobicContact CG-CZ 3.88Å
198L93.7Very high95.6Very high6 Ų633.7 Ų33.73%0.03117%0.17CC..EExtended strand (participates in β ladder)trans-95.6146.9176.5-62.6170.4000110.5L162 I174 V193 P196 V203 L236 R242 I243L162-L198 HydrophobicContact CD1-CD2 3.83Å; I174-L198 HydrophobicContact CD1-CD1 4.24Å; I174-L198 HydrophobicContact CG2-CD1 4.13Å; V193-L198 HydrophobicContact CG1-CD1 4.25Å; V193-L198 HydrophobicContact CG2-CD1 4.42Å; P196-L198 HydrophobicContact CG-CD2 4Å; P196-L198 HydrophobicContact CG-CG 4.41Å; P196-L198 PolarHBondContact O-N 3.21Å; L198-V203 HydrophobicContact CB-CB 4.3Å; L198-V203 HydrophobicContact CB-CG1 4.38Å; L198-V203 HydrophobicContact CB-CG2 4.31Å; L198-V203 HydrophobicContact CD1-CG2 4.09Å; L198-L236 HydrophobicContact CD1-CD1 4.45Å; L198-L236 HydrophobicContact CD1-CD2 3.79Å; L198-R242 CarbonylContact C-O 3.56Å; L198-R242 VanDerWaalsContact CA-O 3.3Å; L198-R242 WeakPolarHBondContact CA-O 3.43Å; L198-I243 HydrophobicContact CD2-CG1 3.93Å
199E91.9Very high95.6Very high65 Ų6532.9 Ų32.930%0.30416%0.164SC..EExtended strand (participates in β ladder)trans-111.5148.5163.4-66.3-177.3178.800108G241 R242 C244 K246E199-G241 CarbonylContact O-C 3.53Å; E199-G241 WeakPolarHBondContact O-CA 3.49Å; E199-R242 PolarHBondContact N-O 3.31Å; E199-R242 PolarHBondContact O-N 3.05Å; E199-C244 HydrophobicContact CG-CB 4.07Å; E199-C244 PolarHBondContact OE1-SG 2.91Å; E199-K246 IonicContact OE1-NZ 2.92Å; E199-K246 PolarHBondContact OE1-NZ 2.96Å; E199-K246 IonicContact OE2-NZ 3.1Å; E199-K246 PolarHBondContact OE2-NZ 2.96Å
200N93.1Very high95.4Very high99 Ų9933.7 Ų33.753%0.52917%0.17SC..SBendtrans56.1-148.6-172.7-55.2-3.6000112.8Y202 V203 G239 Q240N200-Y202 PolarHBondContact O-N 3.4Å; N200-Y202 VanDerWaalsContact O-N 3.17Å; N200-V203 PolarHBondContact O-N 2.92Å; N200-G239 WeakPolarHBondContact CB-O 3.5Å; N200-Q240 WeakPolarHBondContact CB-O 3.32Å
201G94.1Very high95.3Very high1 Ų132.8 Ų32.81%0.0117%0.166CC..THydrogen-bonded Turntrans65.121176.600000114.9V203 G239G201-V203 PolarHBondContact O-N 2.87Å; G201-G239 WeakPolarHBondContact CA-O 3.31Å; G201-G239 PolarHBondContact N-O 2.75Å
202Y95.6Very high95.1Very high84 Ų8435.8 Ų35.833%0.32918%0.18SC..THydrogen-bonded Turntrans59.816.9-168.6-52.6-80.8000114.9N200 C210 S235N200-Y202 PolarHBondContact O-N 3.4Å; N200-Y202 VanDerWaalsContact O-N 3.17Å; Y202-C210 WeakPolarHBondContact CB-O 3.38Å; Y202-C210 WeakPolarHBondContact O-CB 3.34Å; Y202-C210 PolarHBondContact O-N 3.27Å; Y202-S235 VanDerWaalsContact CD2-O 3.3Å; Y202-S235 WeakPolarHBondContact CD2-O 3.42Å
203V96.1Very high95Very high11 Ų1134.9 Ų34.97%0.06718%0.178CC..BIsolated β-bridgetrans-90.6133.1171.2-175.90000109.4V193 L198 N200 G201 F232 L236 F254V193-V203 HydrophobicContact CB-CG1 4.35Å; V193-V203 HydrophobicContact CG2-CG1 3.84Å; V193-V203 HydrophobicContact CG2-CG2 3.89Å; L198-V203 HydrophobicContact CB-CB 4.3Å; L198-V203 HydrophobicContact CB-CG1 4.38Å; L198-V203 HydrophobicContact CB-CG2 4.31Å; L198-V203 HydrophobicContact CD1-CG2 4.09Å; N200-V203 PolarHBondContact O-N 2.92Å; G201-V203 PolarHBondContact O-N 2.87Å; V203-F232 HydrophobicContact CG2-CE2 4.23Å; V203-F232 HydrophobicContact CG2-CZ 4.24Å; V203-L236 HydrophobicContact CG2-CD2 3.69Å; V203-F254 HydrophobicContact CG1-CE2 4.27Å; V203-F254 HydrophobicContact CG1-CZ 3.98Å
204L94.9Very high95Very high69 Ų6935 Ų3536%0.36118%0.178SC..  trans-120.6178.2-173.9-55.2-178.5000111.8G207 A208 C210 T262 L266L204-G207 WeakPolarHBondContact O-CA 3.35Å; L204-G207 PolarHBondContact O-N 3.23Å; L204-A208 HydrophobicContact CB-CB 4.42Å; L204-A208 PolarHBondContact N-O 3.17Å; L204-A208 PolarHBondContact O-N 2.84Å; L204-C210 HydrophobicContact CD1-CB 4.01Å; L204-C210 HydrophobicContact CG-CB 4.3Å; L204-T262 HydrophobicContact CB-CG2 3.6Å; L204-T262 HydrophobicContact CD1-CG2 3.91Å; L204-T262 HydrophobicContact CG-CG2 4.44Å; L204-L266 HydrophobicContact CD1-CD1 3.75Å
205D92.4Very high94.9Very high102 Ų10233.2 Ų33.255%0.54517%0.169SC..G310 helixtrans-53.3143.5-179.3-73.4-49.1000113.7G207 T262D205-G207 PolarHBondContact O-N 3.22Å; D205-T262 WeakPolarHBondContact O-CB 3.47Å; D205-T262 PolarHBondContact O-OG1 3.03Å
206G92.8Very high94.9Very high0 Ų034.4 Ų34.40%018%0.178CC..G310 helixtrans70.7-6.8-168.600000115.8F254 S255 E258 A259G206-F254 CarbonylContact O-C 3.56Å; G206-F254 VanDerWaalsContact O-CB 3.26Å; G206-F254 WeakPolarHBondContact O-CB 3.42Å; G206-S255 PolarHBondContact O-N 3.45Å; G206-E258 VanDerWaalsContact CA-CG 3.49Å; G206-E258 WeakPolarHBondContact CA-OE1 3.48Å; G206-E258 PolarHBondContact N-OE1 2.89Å; G206-A259 WeakPolarHBondContact O-CB 3.5Å
207G96Very high94.7Very high0 Ų041.2 Ų41.20%020%0.202CC..G310 helixtrans94.215.4-175.700000113.6R192 V193 L204 D205R192-G207 CarbonylContact C-O 3.55Å; R192-G207 VanDerWaalsContact CA-O 3.26Å; R192-G207 WeakPolarHBondContact CA-O 3.47Å; R192-G207 WeakPolarHBondContact CB-O 3.45Å; V193-G207 PolarHBondContact N-O 3Å; L204-G207 WeakPolarHBondContact O-CA 3.35Å; L204-G207 PolarHBondContact O-N 3.23Å; D205-G207 PolarHBondContact O-N 3.22Å
208A97.4Very high94.8Very high0 Ų039.5 Ų39.50%020%0.2CC..BIsolated β-bridgetrans-65.4151.9175.300000111.7L204 A259 T262 F263L204-A208 HydrophobicContact CB-CB 4.42Å; L204-A208 PolarHBondContact N-O 3.17Å; L204-A208 PolarHBondContact O-N 2.84Å; A208-A259 HydrophobicContact CB-CB 4.21Å; A208-A259 WeakPolarHBondContact CB-O 3.37Å; A208-T262 HydrophobicContact CB-CG2 3.85Å; A208-F263 HydrophobicContact CB-CB 4.49Å
209I97.7Very high95Very high2 Ų240.6 Ų40.61%0.0120%0.204CC..BIsolated β-bridgetrans-113.7130.6-176.2-61.4171.5000109.9L176 M191 V193 M211 L214 F232L176-I209 HydrophobicContact CD2-CD1 3.99Å; M191-I209 HydrophobicContact CB-CD1 4.41Å; M191-I209 HydrophobicContact CE-CD1 3.94Å; M191-I209 HydrophobicContact CG-CD1 3.78Å; M191-I209 HydrophobicContact SD-CD1 4.31Å; V193-I209 HydrophobicContact CG2-CD1 4.41Å; V193-I209 HydrophobicContact CG2-CG1 4.33Å; I209-M211 HydrophobicContact CG2-CB 4.43Å; I209-M211 HydrophobicContact CG2-CG 3.71Å; I209-M211 HydrophobicContact CG2-SD 3.66Å; I209-L214 HydrophobicContact CB-CD1 4.05Å; I209-L214 HydrophobicContact CG2-CD1 3.79Å; I209-F232 HydrophobicContact CB-CE2 4.5Å; I209-F232 HydrophobicContact CD1-CD2 3.96Å; I209-F232 HydrophobicContact CD1-CE2 3.65Å; I209-F232 HydrophobicContact CD1-CZ 4Å; I209-F232 HydrophobicContact CG1-CD2 4.44Å; I209-F232 HydrophobicContact CG1-CE2 3.87Å; I209-F232 HydrophobicContact CG1-CZ 4.42Å; I209-F232 HydrophobicContact CG2-CD2 3.75Å; I209-F232 HydrophobicContact CG2-CE2 3.81Å
210C95.6Very high95.3Very high24 Ų2439.6 Ų39.616%0.16220%0.204CC..  trans-97.984.7179.6-173.20000111.8Y202 L204 L266Y202-C210 WeakPolarHBondContact CB-O 3.38Å; Y202-C210 WeakPolarHBondContact O-CB 3.34Å; Y202-C210 PolarHBondContact O-N 3.27Å; L204-C210 HydrophobicContact CD1-CB 4.01Å; L204-C210 HydrophobicContact CG-CB 4.3Å; C210-L266 HydrophobicContact CB-CD1 3.65Å
211M95.8Very high95.5Very high14 Ų1437.3 Ų37.37%0.06920%0.196CC..  trans-137.5128.7175.4-62.9172.985.400110.2I209 L213 L214 Q231 F232I209-M211 HydrophobicContact CG2-CB 4.43Å; I209-M211 HydrophobicContact CG2-CG 3.71Å; I209-M211 HydrophobicContact CG2-SD 3.66Å; M211-L213 HydrophobicContact CB-CG 4.29Å; M211-L213 HydrophobicContact CE-CD2 3.66Å; M211-L213 HydrophobicContact CE-CG 4.49Å; M211-L213 PolarHBondContact O-N 2.91Å; M211-L214 HydrophobicContact CB-CD1 4.3Å; M211-L214 HydrophobicContact CB-CG 4.4Å; M211-L214 PolarHBondContact O-N 3.47Å; M211-L214 HydrophobicContact SD-CD1 4.28Å; M211-Q231 HydrophobicContact CE-CB 4.19Å; M211-Q231 HydrophobicContact CE-CG 3.82Å; M211-Q231 WeakPolarHBondContact CE-O 3.41Å; M211-F232 HydrophobicContact CE-CB 4.33Å; M211-F232 HydrophobicContact SD-CB 4.01Å; M211-F232 HydrophobicContact SD-CD2 3.87Å; M211-F232 HydrophobicContact SD-CG 4.44Å
212E94.9Very high95.6Very high68 Ų6841.1 Ų41.132%0.31823%0.227SC..G310 helixtrans-52.5-40.8179.8174.7165.1-146.300112.4L214 T215 G218 W275E212-L214 PolarHBondContact O-N 3.28Å; E212-T215 WeakPolarHBondContact O-CB 3.43Å; E212-T215 PolarHBondContact O-N 2.88Å; E212-T215 PolarHBondContact O-OG1 2.8Å; E212-G218 WeakPolarHBondContact O-CA 3.31Å; E212-W275 HydrophobicContact CB-CD2 3.67Å; E212-W275 HydrophobicContact CB-CE3 4.03Å; E212-W275 HydrophobicContact CB-CG 4Å; E212-W275 HydrophobicContact CB-CH2 4.42Å; E212-W275 HydrophobicContact CB-CZ2 4.09Å; E212-W275 HydrophobicContact CB-CZ3 4.38Å; E212-W275 HydrophobicContact CG-CD2 4.08Å; E212-W275 HydrophobicContact CG-CG 3.94Å
213L96.1Very high95.8Very high10 Ų1041.3 Ų41.35%0.05223%0.228CC..G310 helixtrans-61.1-26.6-178.878.291.3000114.1M211 T215 W219 Y223 V228 Q231M211-L213 HydrophobicContact CB-CG 4.29Å; M211-L213 HydrophobicContact CE-CD2 3.66Å; M211-L213 HydrophobicContact CE-CG 4.49Å; M211-L213 PolarHBondContact O-N 2.91Å; L213-T215 PolarHBondContact O-N 2.66Å; L213-W219 VanDerWaalsContact O-CA 3.24Å; L213-W219 WeakPolarHBondContact O-CA 3.36Å; L213-W219 WeakPolarHBondContact O-CB 3.38Å; L213-W219 PolarHBondContact O-N 3.39Å; L213-Y223 HydrophobicContact CB-CE2 4.01Å; L213-V228 HydrophobicContact CD1-CB 4.49Å; L213-V228 HydrophobicContact CD1-CG1 4.15Å; L213-V228 HydrophobicContact CD1-CG2 3.84Å; L213-Q231 HydrophobicContact CD2-CB 4.41Å; L213-Q231 HydrophobicContact CD2-CG 4.02Å; L213-Q231 VanDerWaalsContact CD2-OE1 3.3Å
214L97Very high95.9Very high2 Ų243 Ų431%0.0124%0.238CC..G310 helixtrans-83.6-0.2177.5-68174.4000112.3P188 M191 I209 M211 E212 V228 F263P188-L214 WeakPolarHBondContact CB-O 3.39Å; P188-L214 WeakPolarHBondContact CG-O 3.48Å; M191-L214 HydrophobicContact CB-CD1 4.13Å; M191-L214 HydrophobicContact CB-CD2 4.19Å; M191-L214 HydrophobicContact SD-CD1 4.27Å; M191-L214 HydrophobicContact SD-CD2 4.29Å; I209-L214 HydrophobicContact CB-CD1 4.05Å; I209-L214 HydrophobicContact CG2-CD1 3.79Å; M211-L214 HydrophobicContact CB-CD1 4.3Å; M211-L214 HydrophobicContact CB-CG 4.4Å; M211-L214 PolarHBondContact O-N 3.47Å; M211-L214 HydrophobicContact SD-CD1 4.28Å; E212-L214 PolarHBondContact O-N 3.28Å; L214-V228 HydrophobicContact CD2-CG1 4.02Å; L214-F263 WeakPolarHBondContact O-CZ 3.38Å
215T95.8Very high96Very high4 Ų440 Ų403%0.02522%0.223CC..SBendtrans-106157.1179.874.70000112.1E212 L213 R217 G218 W219 F263 L266 V267 W275E212-T215 WeakPolarHBondContact O-CB 3.43Å; E212-T215 PolarHBondContact O-N 2.88Å; E212-T215 PolarHBondContact O-OG1 2.8Å; L213-T215 PolarHBondContact O-N 2.66Å; T215-R217 PolarHBondContact O-N 3Å; T215-G218 PolarHBondContact O-N 2.86Å; T215-G218 VanDerWaalsContact O-N 3.09Å; T215-W219 WeakPolarHBondContact O-CB 3.41Å; T215-W219 PolarHBondContact O-N 2.85Å; T215-F263 HydrophobicContact CG2-CE2 4.19Å; T215-F263 HydrophobicContact CG2-CZ 4.38Å; T215-L266 HydrophobicContact CG2-CD2 4.03Å; T215-V267 HydrophobicContact CG2-CG2 3.88Å; T215-W275 HydrophobicContact CG2-CH2 4.4Å; T215-W275 HydrophobicContact CG2-CZ2 3.71Å
216P94.2Very high96.2Very high98 Ų9836.9 Ų36.964%0.63621%0.205SC*.THydrogen-bonded Turntrans-57.5-19.4-179.9-26.735.9000115.4
217R91.4Very high96.4Very high155 Ų15538.7 Ų38.759%0.58522%0.22SC*.THydrogen-bonded Turntrans-79.7-39.5176.7178.6-177.7-72.2-90.74.1113T215T215-R217 PolarHBondContact O-N 3Å
218G94.7Very high96.5Very high15 Ų1539 Ų3916%0.15522%0.221CC..THydrogen-bonded Turntrans-102.3-14.9-173.200000115.1E212 T215 Y223E212-G218 WeakPolarHBondContact O-CA 3.31Å; T215-G218 PolarHBondContact O-N 2.86Å; T215-G218 VanDerWaalsContact O-N 3.09Å; G218-Y223 WeakPolarHBondContact O-CE2 3.39Å
219W97.6Very high96.5Very high29 Ų2939 Ų3911%0.1122%0.221CC..  trans-66134.4-179.6177.6-105.9000112F184 P185 P188 P189 L213 T215 Y223 V228F184-W219 HydrophobicContact CD2-CZ2 4.34Å; F184-W219 HydrophobicContact CE2-CH2 4.06Å; F184-W219 AromaticContact CE2-CZ2 3.78Å; F184-W219 HydrophobicContact CE2-CZ2 3.78Å; P185-W219 PolarHBondContact O-NE1 3.37Å; P188-W219 HydrophobicContact CB-CB 3.87Å; P188-W219 HydrophobicContact CB-CD2 3.67Å; P188-W219 HydrophobicContact CB-CE3 3.84Å; P188-W219 HydrophobicContact CB-CG 3.66Å; P188-W219 HydrophobicContact CG-CB 4.01Å; P188-W219 HydrophobicContact CG-CG 4.13Å; P189-W219 HydrophobicContact CG-CH2 4.45Å; P189-W219 HydrophobicContact CG-CZ3 4.38Å; L213-W219 VanDerWaalsContact O-CA 3.24Å; L213-W219 WeakPolarHBondContact O-CA 3.36Å; L213-W219 WeakPolarHBondContact O-CB 3.38Å; L213-W219 PolarHBondContact O-N 3.39Å; T215-W219 WeakPolarHBondContact O-CB 3.41Å; T215-W219 PolarHBondContact O-N 2.85Å; W219-Y223 AromaticContact CE3-CD2 3.95Å; W219-Y223 HydrophobicContact CE3-CD2 3.95Å; W219-Y223 HydrophobicContact CZ3-CD2 4.11Å; W219-V228 HydrophobicContact CZ3-CG2 4.1Å
220S97.9Very high96.5Very high44 Ų4442.6 Ų42.631%0.30824%0.235SC..  trans-121.3134167.1178.80000109A222 Y223S220-A222 PolarHBondContact O-N 3.13Å; S220-A222 WeakPolarHBondContact OG-CB 3.37Å; S220-A222 PolarHBondContact OG-N 2.82Å; S220-Y223 VanDerWaalsContact N-CE2 3.3Å; S220-Y223 WeakPolarHBondContact O-CD2 3.47Å; S220-Y223 PolarHBondContact O-N 2.97Å
221S97.5Very high96.6Very high52 Ų5246.3 Ų46.336%0.36425%0.25SS..THydrogen-bonded Turntrans-62.2-12.4172.9620000112.9R121 P185R121-S221 PolarHBondContact NH1-O 2.92Å; R121-S221 PolarHBondContact NH2-O 2.9Å; P185-S221 WeakPolarHBondContact O-CA 3.35Å; P185-S221 WeakPolarHBondContact O-CB 3.26Å
222A97.2Very high96.8Very high80 Ų8045.7 Ų45.766%0.66125%0.247SC*.THydrogen-bonded Turntrans-77.2-17.2173.700000114.2S220S220-A222 PolarHBondContact O-N 3.13Å; S220-A222 WeakPolarHBondContact OG-CB 3.37Å; S220-A222 PolarHBondContact OG-N 2.82Å
223Y98.2Very high96.9Very high88 Ų8842.7 Ų42.735%0.34523%0.234SC..  trans-69.9136177.6-59.3-40.9000111.3R121 L213 G218 W219 S220R121-Y223 PolarHBondContact NH2-O 3.49Å; L213-Y223 HydrophobicContact CB-CE2 4.01Å; G218-Y223 WeakPolarHBondContact O-CE2 3.39Å; W219-Y223 AromaticContact CE3-CD2 3.95Å; W219-Y223 HydrophobicContact CE3-CD2 3.95Å; W219-Y223 HydrophobicContact CZ3-CD2 4.11Å; S220-Y223 VanDerWaalsContact N-CE2 3.3Å; S220-Y223 WeakPolarHBondContact O-CD2 3.47Å; S220-Y223 PolarHBondContact O-N 2.97Å
224T97.8Very high97Very high47 Ų4745 Ų4529%0.28826%0.255SS..  trans-85.5155.1168.659.30000110.4E125 E226 A227 V228E125-T224 VanDerWaalsContact OE2-CA 3.32Å; E125-T224 WeakPolarHBondContact OE2-CA 3.13Å; E125-T224 WeakPolarHBondContact OE2-CB 3.48Å; T224-E226 PolarHBondContact O-N 3.31Å; T224-A227 PolarHBondContact O-N 2.95Å; T224-A227 VanDerWaalsContact OG1-CB 3.23Å; T224-A227 WeakPolarHBondContact OG1-CB 3.37Å; T224-A227 PolarHBondContact OG1-N 3.28Å; T224-A227 VanDerWaalsContact OG1-N 3.1Å; T224-V228 VanDerWaalsContact O-CG2 3.31Å; T224-V228 WeakPolarHBondContact O-CG2 3.48Å; T224-V228 PolarHBondContact O-N 3.04Å; T224-V228 VanDerWaalsContact O-N 3.1Å
225V97.5Very high97Very high5 Ų545.7 Ų45.73%0.0326%0.259CS..Hα-helixtrans-63.2-33.7175.3-178.90000110.5E125 I129 W149 F180 V228 M229E125-V225 HydrophobicContact CB-CG2 4.23Å; E125-V225 HydrophobicContact CG-CG2 4.01Å; E125-V225 PolarHBondContact OE2-N 3.41Å; I129-V225 HydrophobicContact CD1-CB 4.33Å; I129-V225 HydrophobicContact CD1-CG1 4.48Å; W149-V225 HydrophobicContact CE3-CG1 4.38Å; W149-V225 HydrophobicContact CH2-CG2 4.48Å; W149-V225 HydrophobicContact CZ3-CB 4.3Å; W149-V225 HydrophobicContact CZ3-CG1 3.94Å; W149-V225 HydrophobicContact CZ3-CG2 4.21Å; F180-V225 HydrophobicContact CE1-CG2 3.77Å; F180-V225 HydrophobicContact CZ-CG2 3.94Å; V225-V228 PolarHBondContact O-N 2.66Å; V225-M229 HydrophobicContact CG1-CE 4.45Å; V225-M229 VanDerWaalsContact O-CG 3.24Å; V225-M229 WeakPolarHBondContact O-CG 3.49Å; V225-M229 PolarHBondContact O-N 3.42Å
226E96.7Very high97.1Very high38 Ų3845.5 Ų45.518%0.17826%0.258CS..Hα-helixtrans-64.6-45.2175174.6-97-169.700112.8I129 L132 I137 T224 V228 M229 R230I129-E226 HydrophobicContact CG1-CB 4.07Å; L132-E226 HydrophobicContact CD1-CB 4.47Å; L132-E226 HydrophobicContact CD1-CG 3.68Å; I137-E226 HydrophobicContact CD1-CB 4.49Å; T224-E226 PolarHBondContact O-N 3.31Å; E226-V228 VanDerWaalsContact C-N 3.32Å; E226-V228 PolarHBondContact O-N 3.3Å; E226-M229 PolarHBondContact O-N 3.22Å; E226-M229 VanDerWaalsContact O-N 3.13Å; E226-R230 PolarHBondContact O-N 3.31Å; E226-R230 IonicContact OE1-CZ 3.26Å; E226-R230 IonicContact OE1-NE 2.97Å; E226-R230 PolarHBondContact OE1-NE 3.05Å; E226-R230 IonicContact OE1-NH2 2.67Å; E226-R230 PolarHBondContact OE1-NH2 3.05Å
227A97.4Very high97.2Very high38 Ų3842.7 Ų42.731%0.31424%0.239SC..Hα-helixtrans-65.6-37.9177.400000111.5T224 M229 R230 Q231T224-A227 PolarHBondContact O-N 2.95Å; T224-A227 VanDerWaalsContact OG1-CB 3.23Å; T224-A227 WeakPolarHBondContact OG1-CB 3.37Å; T224-A227 PolarHBondContact OG1-N 3.28Å; T224-A227 VanDerWaalsContact OG1-N 3.1Å; A227-M229 VanDerWaalsContact C-N 3.33Å; A227-M229 PolarHBondContact O-N 2.86Å; A227-R230 PolarHBondContact O-N 3.36Å; A227-Q231 WeakPolarHBondContact O-CB 3.17Å; A227-Q231 PolarHBondContact O-N 3.02Å
228V98.3Very high97.4Very high5 Ų541.3 Ų41.33%0.0324%0.238CC..Hα-helixtrans-58.1-44.5171.6170.50000111M191 L213 L214 W219 T224 V225 E226 Q231 F232M191-V228 HydrophobicContact SD-CG1 3.71Å; L213-V228 HydrophobicContact CD1-CB 4.49Å; L213-V228 HydrophobicContact CD1-CG1 4.15Å; L213-V228 HydrophobicContact CD1-CG2 3.84Å; L214-V228 HydrophobicContact CD2-CG1 4.02Å; W219-V228 HydrophobicContact CZ3-CG2 4.1Å; T224-V228 VanDerWaalsContact O-CG2 3.31Å; T224-V228 WeakPolarHBondContact O-CG2 3.48Å; T224-V228 PolarHBondContact O-N 3.04Å; T224-V228 VanDerWaalsContact O-N 3.1Å; V225-V228 PolarHBondContact O-N 2.66Å; E226-V228 VanDerWaalsContact C-N 3.32Å; E226-V228 PolarHBondContact O-N 3.3Å; V228-Q231 PolarHBondContact O-N 3.06Å; V228-F232 WeakPolarHBondContact O-CB 3.44Å; V228-F232 PolarHBondContact O-N 3.49Å
229M98.1Very high97.4Very high0 Ų041.4 Ų41.40%024%0.238CC..Hα-helixtrans-66.7-42.4178.7-69.6-70.2160.800112.7I137 V151 L176 V178 M191 V225 E226 A227 F232 A233I137-M229 HydrophobicContact CD1-CB 4.24Å; I137-M229 HydrophobicContact CD1-CG 4.09Å; I137-M229 HydrophobicContact CG2-CB 3.96Å; I137-M229 HydrophobicContact CG2-CG 4.17Å; V151-M229 HydrophobicContact CB-CE 3.95Å; V151-M229 HydrophobicContact CB-SD 4.31Å; V151-M229 HydrophobicContact CG1-CE 3.95Å; V151-M229 HydrophobicContact CG1-CG 4.24Å; V151-M229 HydrophobicContact CG1-SD 3.8Å; V151-M229 HydrophobicContact CG2-CE 3.94Å; L176-M229 HydrophobicContact CD1-SD 3.94Å; V178-M229 HydrophobicContact CG2-CE 3.41Å; V178-M229 VanDerWaalsContact CG2-CE 3.41Å; M191-M229 HydrophobicContact CE-CE 3.51Å; M191-M229 HydrophobicContact CE-SD 3.52Å; M191-M229 VanDerWaalsContact CE-SD 3.52Å; M191-M229 HydrophobicContact CG-CE 4.47Å; M191-M229 HydrophobicContact SD-CE 3.79Å; M191-M229 HydrophobicContact SD-SD 4.5Å; V225-M229 HydrophobicContact CG1-CE 4.45Å; V225-M229 VanDerWaalsContact O-CG 3.24Å; V225-M229 WeakPolarHBondContact O-CG 3.49Å; V225-M229 PolarHBondContact O-N 3.42Å; E226-M229 PolarHBondContact O-N 3.22Å; E226-M229 VanDerWaalsContact O-N 3.13Å; A227-M229 VanDerWaalsContact C-N 3.33Å; A227-M229 PolarHBondContact O-N 2.86Å; M229-F232 PolarHBondContact O-N 3.19Å; M229-A233 PolarHBondContact O-N 3.43Å
230R97.6Very high97.4Very high79 Ų7947 Ų4730%0.29827%0.266SS..Hα-helixtrans-63.9-43.1174.5-66.4-167-159.5-85.4-1.1112D134 F136 E226 A227 F232 A233 A234D134-R230 IonicContact OD1-NH2 2.91Å; D134-R230 IonicContact OD2-CZ 2.73Å; D134-R230 IonicContact OD2-NH1 3.97Å; D134-R230 PolarHBondContact OD2-NH1 2.91Å; D134-R230 IonicContact OD2-NH2 3.87Å; D134-R230 PolarHBondContact OD2-NH2 2.87Å; F136-R230 HydrophobicContact CD1-CG 3.86Å; F136-R230 HydrophobicContact CE1-CB 4.18Å; F136-R230 HydrophobicContact CE1-CG 3.52Å; F136-R230 HydrophobicContact CE2-CG 4.38Å; F136-R230 HydrophobicContact CG-CG 4.47Å; F136-R230 VanDerWaalsContact CG-NH1 3.27Å; F136-R230 HydrophobicContact CZ-CB 4.25Å; F136-R230 HydrophobicContact CZ-CG 3.81Å; E226-R230 PolarHBondContact O-N 3.31Å; E226-R230 IonicContact OE1-CZ 3.26Å; E226-R230 IonicContact OE1-NE 2.97Å; E226-R230 PolarHBondContact OE1-NE 3.05Å; E226-R230 IonicContact OE1-NH2 2.67Å; E226-R230 PolarHBondContact OE1-NH2 3.05Å; A227-R230 PolarHBondContact O-N 3.36Å; R230-F232 VanDerWaalsContact C-N 3.32Å; R230-F232 PolarHBondContact O-N 3.23Å; R230-A233 PolarHBondContact O-N 3.21Å; R230-A234 PolarHBondContact O-N 2.72Å
231Q97.9Very high97.3Very high102 Ų10245 Ų4548%0.47725%0.252SS..Hα-helixtrans-68-33.7178.3-167.3171.2-800111.8M211 L213 A227 V228 S235M211-Q231 HydrophobicContact CE-CB 4.19Å; M211-Q231 HydrophobicContact CE-CG 3.82Å; M211-Q231 WeakPolarHBondContact CE-O 3.41Å; L213-Q231 HydrophobicContact CD2-CB 4.41Å; L213-Q231 HydrophobicContact CD2-CG 4.02Å; L213-Q231 VanDerWaalsContact CD2-OE1 3.3Å; A227-Q231 WeakPolarHBondContact O-CB 3.17Å; A227-Q231 PolarHBondContact O-N 3.02Å; V228-Q231 PolarHBondContact O-N 3.06Å; Q231-S235 WeakPolarHBondContact O-CB 3.44Å; Q231-S235 PolarHBondContact O-N 3.12Å
232F98.4Very high97.2Very high0 Ų047.1 Ų47.10%025%0.252CS..Hα-helixtrans-64.1-47.8170.8173.5-111.1000111.6L153 L176 M191 V193 V203 I209 M211 V228 M229 R230 A234 S235 L236L153-F232 HydrophobicContact CD2-CD1 4.13Å; L153-F232 HydrophobicContact CD2-CE1 4.26Å; L176-F232 HydrophobicContact CD1-CD1 4.05Å; L176-F232 HydrophobicContact CD1-CE1 3.87Å; L176-F232 HydrophobicContact CD2-CD1 4.04Å; L176-F232 HydrophobicContact CD2-CE1 3.44Å; L176-F232 VanDerWaalsContact CD2-CE1 3.44Å; L176-F232 HydrophobicContact CD2-CZ 3.87Å; L176-F232 HydrophobicContact CG-CE1 4.22Å; M191-F232 HydrophobicContact CE-CB 3.88Å; M191-F232 HydrophobicContact CE-CD1 3.79Å; M191-F232 HydrophobicContact CE-CD2 4.44Å; M191-F232 HydrophobicContact CE-CE1 4.5Å; M191-F232 HydrophobicContact CE-CG 3.75Å; V193-F232 HydrophobicContact CG2-CZ 3.92Å; V203-F232 HydrophobicContact CG2-CE2 4.23Å; V203-F232 HydrophobicContact CG2-CZ 4.24Å; I209-F232 HydrophobicContact CB-CE2 4.5Å; I209-F232 HydrophobicContact CD1-CD2 3.96Å; I209-F232 HydrophobicContact CD1-CE2 3.65Å; I209-F232 HydrophobicContact CD1-CZ 4Å; I209-F232 HydrophobicContact CG1-CD2 4.44Å; I209-F232 HydrophobicContact CG1-CE2 3.87Å; I209-F232 HydrophobicContact CG1-CZ 4.42Å; I209-F232 HydrophobicContact CG2-CD2 3.75Å; I209-F232 HydrophobicContact CG2-CE2 3.81Å; M211-F232 HydrophobicContact CE-CB 4.33Å; M211-F232 HydrophobicContact SD-CB 4.01Å; M211-F232 HydrophobicContact SD-CD2 3.87Å; M211-F232 HydrophobicContact SD-CG 4.44Å; V228-F232 WeakPolarHBondContact O-CB 3.44Å; V228-F232 PolarHBondContact O-N 3.49Å; M229-F232 PolarHBondContact O-N 3.19Å; R230-F232 VanDerWaalsContact C-N 3.32Å; R230-F232 PolarHBondContact O-N 3.23Å; F232-A234 VanDerWaalsContact C-N 3.32Å; F232-A234 PolarHBondContact O-N 3.05Å; F232-S235 WeakPolarHBondContact CA-OG 3.37Å; F232-S235 CarbonylContact O-C 3.56Å; F232-S235 WeakPolarHBondContact O-CA 3.34Å; F232-S235 PolarHBondContact O-N 3.02Å; F232-S235 PolarHBondContact O-OG 2.96Å; F232-L236 HydrophobicContact CD1-CD1 4.2Å; F232-L236 HydrophobicContact CD2-CG 4.48Å; F232-L236 HydrophobicContact CE1-CD1 3.54Å; F232-L236 HydrophobicContact CE1-CD2 4.39Å; F232-L236 HydrophobicContact CE1-CG 3.98Å; F232-L236 HydrophobicContact CE2-CD1 4.42Å; F232-L236 HydrophobicContact CE2-CD2 3.93Å; F232-L236 HydrophobicContact CE2-CG 3.95Å; F232-L236 HydrophobicContact CZ-CD1 3.69Å; F232-L236 HydrophobicContact CZ-CD2 3.66Å; F232-L236 HydrophobicContact CZ-CG 3.68Å; F232-L236 PolarHBondContact O-N 2.99Å
233A98.1Very high97.1Very high5 Ų544 Ų444%0.04122%0.224CC..Hα-helixtrans-57.3-42.8175.800000112.7F136 L153 M229 R230 S235 L236 V237F136-A233 HydrophobicContact CE1-CB 4.43Å; F136-A233 HydrophobicContact CZ-CB 3.72Å; L153-A233 HydrophobicContact CD1-CB 4.04Å; L153-A233 HydrophobicContact CD2-CB 3.82Å; M229-A233 PolarHBondContact O-N 3.43Å; R230-A233 PolarHBondContact O-N 3.21Å; A233-S235 VanDerWaalsContact C-N 3.35Å; A233-L236 WeakPolarHBondContact O-CB 3.4Å; A233-L236 PolarHBondContact O-N 3.14Å; A233-V237 PolarHBondContact O-N 3.47Å
234A97.4Very high96.7Very high60 Ų6040.9 Ų40.950%0.49622%0.215SC..Hα-helixtrans-65-36.9173.600000112.4R230 F232 V237 K238R230-A234 PolarHBondContact O-N 2.72Å; F232-A234 VanDerWaalsContact C-N 3.32Å; F232-A234 PolarHBondContact O-N 3.05Å; A234-V237 PolarHBondContact O-N 3.2Å; A234-K238 WeakPolarHBondContact O-CB 3.39Å; A234-K238 PolarHBondContact O-N 3.18Å
235S96.9Very high96Very high15 Ų1543.8 Ų43.811%0.10522%0.221CC..Hα-helixtrans-68.6-34176.776.10000113.1Y202 Q231 F232 A233 G239Y202-S235 VanDerWaalsContact CD2-O 3.3Å; Y202-S235 WeakPolarHBondContact CD2-O 3.42Å; Q231-S235 WeakPolarHBondContact O-CB 3.44Å; Q231-S235 PolarHBondContact O-N 3.12Å; F232-S235 WeakPolarHBondContact CA-OG 3.37Å; F232-S235 CarbonylContact O-C 3.56Å; F232-S235 WeakPolarHBondContact O-CA 3.34Å; F232-S235 PolarHBondContact O-N 3.02Å; F232-S235 PolarHBondContact O-OG 2.96Å; A233-S235 VanDerWaalsContact C-N 3.35Å; S235-G239 WeakPolarHBondContact O-CA 3.45Å; S235-G239 PolarHBondContact O-N 3.08Å
236L97.8Very high94.7Very high0 Ų049.6 Ų49.60%025%0.245CC..Hα-helixtrans-59.2-47172.1-74.4175.7000111.4L153 L162 I174 L198 V203 F232 A233 Q240 G241L153-L236 HydrophobicContact CD2-CD1 4.26Å; L162-L236 HydrophobicContact CD2-CB 3.71Å; L162-L236 HydrophobicContact CD2-CD1 4Å; L162-L236 HydrophobicContact CD2-CG 4.36Å; I174-L236 HydrophobicContact CD1-CD1 3.61Å; L198-L236 HydrophobicContact CD1-CD1 4.45Å; L198-L236 HydrophobicContact CD1-CD2 3.79Å; V203-L236 HydrophobicContact CG2-CD2 3.69Å; F232-L236 HydrophobicContact CD1-CD1 4.2Å; F232-L236 HydrophobicContact CD2-CG 4.48Å; F232-L236 HydrophobicContact CE1-CD1 3.54Å; F232-L236 HydrophobicContact CE1-CD2 4.39Å; F232-L236 HydrophobicContact CE1-CG 3.98Å; F232-L236 HydrophobicContact CE2-CD1 4.42Å; F232-L236 HydrophobicContact CE2-CD2 3.93Å; F232-L236 HydrophobicContact CE2-CG 3.95Å; F232-L236 HydrophobicContact CZ-CD1 3.69Å; F232-L236 HydrophobicContact CZ-CD2 3.66Å; F232-L236 HydrophobicContact CZ-CG 3.68Å; F232-L236 PolarHBondContact O-N 2.99Å; A233-L236 WeakPolarHBondContact O-CB 3.4Å; A233-L236 PolarHBondContact O-N 3.14Å; L236-Q240 PolarHBondContact O-N 3.1Å; L236-G241 WeakPolarHBondContact O-CA 3.22Å; L236-G241 PolarHBondContact O-N 3.44Å
237V96.9Very high92.6Very high39 Ų3952.9 Ų52.924%0.23627%0.273CS..Hα-helixtrans-66.1-52.2178.5175.10000110.8V156 D157 A233 A234 G239 Q240V156-V237 HydrophobicContact CB-CG2 4.44Å; D157-V237 HydrophobicContact CB-CB 4.46Å; D157-V237 HydrophobicContact CB-CG1 4.03Å; D157-V237 HydrophobicContact CB-CG2 3.76Å; A233-V237 PolarHBondContact O-N 3.47Å; A234-V237 PolarHBondContact O-N 3.2Å; V237-G239 VanDerWaalsContact C-N 3.29Å; V237-G239 PolarHBondContact O-N 2.69Å; V237-Q240 PolarHBondContact O-N 2.88Å
238K95.3Very high91Very high127 Ų12753.1 Ų53.155%0.55228%0.279SS*.Hα-helixtrans-59.1-39.8178.9179169.6-178.4169.80112.4A234 Q240A234-K238 WeakPolarHBondContact O-CB 3.39Å; A234-K238 PolarHBondContact O-N 3.18Å; K238-Q240 PolarHBondContact O-N 2.86Å
239G95.4Very high88.7Confident16 Ų1663.6 Ų63.617%0.16532%0.324CS..THydrogen-bonded Turntrans-77.511.717700000114.2N200 G201 S235 V237 G241N200-G239 WeakPolarHBondContact CB-O 3.5Å; G201-G239 WeakPolarHBondContact CA-O 3.31Å; G201-G239 PolarHBondContact N-O 2.75Å; S235-G239 WeakPolarHBondContact O-CA 3.45Å; S235-G239 PolarHBondContact O-N 3.08Å; V237-G239 VanDerWaalsContact C-N 3.29Å; V237-G239 PolarHBondContact O-N 2.69Å; G239-G241 VanDerWaalsContact C-N 3.26Å; G239-G241 PolarHBondContact O-N 3.46Å
240Q96.4Very high86.7Confident148 Ų14866 Ų6669%0.69234%0.341SS*.THydrogen-bonded Turntrans51.742-179.5-58.9-177.9-1600113.2N200 L236 V237 K238N200-Q240 WeakPolarHBondContact CB-O 3.32Å; L236-Q240 PolarHBondContact O-N 3.1Å; V237-Q240 PolarHBondContact O-N 2.88Å; K238-Q240 PolarHBondContact O-N 2.86Å
241G96.6Very high84.7Confident2 Ų270.4 Ų70.42%0.02136%0.362CS..  trans-60.8139.6-179.500000112.7L162 E199 L236 G239L162-G241 WeakPolarHBondContact CB-O 3.24Å; E199-G241 CarbonylContact O-C 3.53Å; E199-G241 WeakPolarHBondContact O-CA 3.49Å; L236-G241 WeakPolarHBondContact O-CA 3.22Å; L236-G241 PolarHBondContact O-N 3.44Å; G239-G241 VanDerWaalsContact C-N 3.26Å; G239-G241 PolarHBondContact O-N 3.46Å
242R96.1Very high83.4Confident96 Ų9671.6 Ų71.636%0.36237%0.366SS..EExtended strand (participates in β ladder)trans-133153.2-179.5-59.1-58.8-63.1-96.211.5111D165 L198 E199D165-R242 VanDerWaalsContact CG-NE 3.29Å; D165-R242 IonicContact OD1-CZ 3.75Å; D165-R242 VanDerWaalsContact OD1-CZ 3.29Å; D165-R242 IonicContact OD1-NE 2.87Å; D165-R242 PolarHBondContact OD1-NE 2.87Å; D165-R242 IonicContact OD1-NH2 3.8Å; D165-R242 PolarHBondContact OD1-NH2 3.4Å; D165-R242 VanDerWaalsContact OD2-CA 3.28Å; D165-R242 WeakPolarHBondContact OD2-CA 3.27Å; D165-R242 WeakPolarHBondContact OD2-CB 3.48Å; D165-R242 IonicContact OD2-CZ 2.66Å; D165-R242 IonicContact OD2-NE 2.69Å; D165-R242 PolarHBondContact OD2-NE 3.34Å; D165-R242 IonicContact OD2-NH2 3.2Å; L198-R242 CarbonylContact C-O 3.56Å; L198-R242 VanDerWaalsContact CA-O 3.3Å; L198-R242 WeakPolarHBondContact CA-O 3.43Å; E199-R242 PolarHBondContact N-O 3.31Å; E199-R242 PolarHBondContact O-N 3.05Å
243I94.8Very high82.4Confident13 Ų1375.2 Ų75.27%0.06740%0.396CS..EExtended strand (participates in β ladder)trans-80.5128169.7-63.8179.2000109.3L162 D165 M166 T169 T171 P196 L198 R245L162-I243 HydrophobicContact CD1-CG1 4.11Å; D165-I243 HydrophobicContact CB-CB 4.04Å; D165-I243 HydrophobicContact CB-CD1 4.03Å; D165-I243 HydrophobicContact CB-CG1 3.94Å; D165-I243 PolarHBondContact OD2-N 2.7Å; M166-I243 HydrophobicContact CB-CD1 4.45Å; M166-I243 HydrophobicContact CG-CD1 3.79Å; T169-I243 HydrophobicContact CG2-CG2 4.13Å; T169-I243 VanDerWaalsContact OG1-CD1 3.31Å; T169-I243 WeakPolarHBondContact OG1-CD1 3.41Å; T171-I243 HydrophobicContact CG2-CD1 4.3Å; P196-I243 HydrophobicContact CB-CD1 4.41Å; P196-I243 HydrophobicContact CB-CG1 4.35Å; P196-I243 HydrophobicContact CB-CG2 4.05Å; P196-I243 HydrophobicContact CG-CD1 3.92Å; P196-I243 HydrophobicContact CG-CG1 3.9Å; L198-I243 HydrophobicContact CD2-CG1 3.93Å; I243-R245 PolarHBondContact O-N 2.89Å; I243-R245 PolarHBondContact O-NH1 3.25Å
244C89.9Confident81.9Confident24 Ų2475.8 Ų75.816%0.16240%0.397CS..  trans-68.794.7179.3-172.70000111.3R197 E199 K246R197-C244 HydrophobicContact CB-CB 4.13Å; R197-C244 HydrophobicContact CG-CB 3.85Å; R197-C244 VanDerWaalsContact O-CB 3.24Å; R197-C244 WeakPolarHBondContact O-CB 3.47Å; R197-C244 PolarHBondContact O-N 3.31Å; E199-C244 HydrophobicContact CG-CB 4.07Å; E199-C244 PolarHBondContact OE1-SG 2.91Å; C244-K246 PolarHBondContact O-N 3.34Å
245R82Confident81.7Confident108 Ų10874.7 Ų74.741%0.40839%0.386SS..  trans-76.2-0.3176.6-65.2176.1-176.872.9-18.9114.3D165 E168 T169 I243 S247D165-R245 VanDerWaalsContact CG-NH2 3.34Å; D165-R245 IonicContact OD1-CZ 2.7Å; D165-R245 VanDerWaalsContact OD1-CZ 3.26Å; D165-R245 IonicContact OD1-NH1 3.15Å; D165-R245 PolarHBondContact OD1-NH1 2.91Å; D165-R245 IonicContact OD1-NH2 2.73Å; D165-R245 PolarHBondContact OD1-NH2 2.82Å; D165-R245 IonicContact OD2-CZ 2.71Å; D165-R245 IonicContact OD2-NH1 3.13Å; D165-R245 PolarHBondContact OD2-NH1 2.85Å; D165-R245 IonicContact OD2-NH2 2.74Å; E168-R245 IonicContact OE1-NH2 2.74Å; E168-R245 PolarHBondContact OE1-NH2 2.98Å; E168-R245 IonicContact OE2-CZ 2.71Å; E168-R245 IonicContact OE2-NE 3.95Å; E168-R245 PolarHBondContact OE2-NE 3.01Å; E168-R245 VanDerWaalsContact OE2-NE 3.11Å; E168-R245 IonicContact OE2-NH2 2.79Å; E168-R245 PolarHBondContact OE2-NH2 2.86Å; T169-R245 HydrophobicContact CG2-CG 4.45Å; I243-R245 PolarHBondContact O-N 2.89Å; I243-R245 PolarHBondContact O-NH1 3.25Å; R245-S247 PolarHBondContact O-N 3.08Å
246K70.9Confident81.6Confident127 Ų12778.4 Ų78.455%0.55240%0.398SS*.  trans-73111.3-169.3-67.3169-169.8147.80111.4E199 C244 G248E199-K246 IonicContact OE1-NZ 2.92Å; E199-K246 PolarHBondContact OE1-NZ 2.96Å; E199-K246 IonicContact OE2-NZ 3.1Å; E199-K246 PolarHBondContact OE2-NZ 2.96Å; C244-K246 PolarHBondContact O-N 3.34Å; K246-G248 PolarHBondContact O-N 3.25Å
247S53Low81.5Confident107 Ų10787.1 Ų87.175%0.74844%0.436SS*.  trans-71.55.4-175.958.20000115.8R245 K251R245-S247 PolarHBondContact O-N 3.08Å; S247-K251 WeakPolarHBondContact O-CE 3.37Å
248G63.3Low81.5Confident43 Ų4387.1 Ų87.144%0.44343%0.433SS..SBendtrans-146.5155.7-173.300000115K246 S250K246-G248 PolarHBondContact O-N 3.25Å; G248-S250 PolarHBondContact O-N 2.95Å
249K50.1Low81.6Confident225 Ų22581.1 Ų81.198%0.97841%0.407SS*.SBendtrans55.7-44.1-179-68.3-173177.4-179.50117.6K251K249-K251 VanDerWaalsContact C-N 3.32Å; K249-K251 PolarHBondContact O-N 3.41Å
250S55.1Low81.7Confident51 Ų5182.9 Ų82.936%0.35741%0.411SS..  trans-92.132.4179.6-149.70000114.3R197 G248 K252R197-S250 PolarHBondContact NE-O 3.11Å; G248-S250 PolarHBondContact O-N 2.95Å; S250-K252 PolarHBondContact O-N 3.09Å
251K57.2Low81.7Confident171 Ų17178.6 Ų78.674%0.74340%0.401SS*.  trans-72.4-3175.9-69.6-165.2-179.8-174.70114.1S247 K249 A253S247-K251 WeakPolarHBondContact O-CE 3.37Å; K249-K251 VanDerWaalsContact C-N 3.32Å; K249-K251 PolarHBondContact O-N 3.41Å; K251-A253 PolarHBondContact O-N 3.47Å
252K70Confident81.7Confident126 Ų12680 Ų8055%0.54841%0.409SS..PPolyproline II helixtrans-70.1116.3179.6-167.2-168.6178.2-157.80109.6R197 S250 E258R197-K252 PolarHBondContact NE-O 3.42Å; R197-K252 PolarHBondContact NH2-O 3.36Å; S250-K252 PolarHBondContact O-N 3.09Å; K252-E258 IonicContact NZ-OE2 2.97Å; K252-E258 PolarHBondContact NZ-OE2 3.18Å
253A76.5Confident81.8Confident77 Ų7777.1 Ų77.164%0.63640%0.399SS*.PPolyproline II helixtrans-57.2149.4174.800000111.6K251 S255K251-A253 PolarHBondContact O-N 3.47Å; A253-S255 PolarHBondContact O-N 3.24Å
254F88.6Confident81.8Confident16 Ų1682 Ų827%0.0742%0.42CS..PPolyproline II helixtrans-60.6122.9176.7-77.8-33.5000110.8V193 R197 V203 G206V193-F254 HydrophobicContact CB-CD2 4Å; V193-F254 HydrophobicContact CB-CE2 3.91Å; V193-F254 HydrophobicContact CG1-CD2 3.95Å; V193-F254 HydrophobicContact CG1-CE2 3.77Å; R197-F254 HydrophobicContact CB-CE2 4.41Å; R197-F254 HydrophobicContact CB-CZ 4.35Å; R197-F254 HydrophobicContact CG-CE1 4.13Å; R197-F254 HydrophobicContact CG-CE2 4.42Å; R197-F254 HydrophobicContact CG-CZ 3.88Å; V203-F254 HydrophobicContact CG1-CE2 4.27Å; V203-F254 HydrophobicContact CG1-CZ 3.98Å; G206-F254 CarbonylContact O-C 3.56Å; G206-F254 VanDerWaalsContact O-CB 3.26Å; G206-F254 WeakPolarHBondContact O-CB 3.42Å
255S92.9Very high82.1Confident37 Ų3784.4 Ų84.426%0.25944%0.437SS..  trans-115.8135-171.178.80000112.1G206 A253 K257 E258 A259G206-S255 PolarHBondContact O-N 3.45Å; A253-S255 PolarHBondContact O-N 3.24Å; S255-K257 VanDerWaalsContact C-N 3.33Å; S255-K257 PolarHBondContact O-N 3.41Å; S255-E258 WeakPolarHBondContact O-CB 3.48Å; S255-E258 PolarHBondContact O-N 2.83Å; S255-E258 WeakPolarHBondContact OG-CB 3.18Å; S255-E258 PolarHBondContact OG-OE2 3.36Å; S255-A259 PolarHBondContact O-N 2.81Å
256R94.9Very high82.7Confident94 Ų9479.8 Ų79.836%0.35542%0.42SS..Hα-helixtrans-54.5-45.3-175.2-177.8175176.2145.42.4112.9D148 T179 E258 A259 E260D148-R256 IonicContact OD2-NH1 2.66Å; D148-R256 PolarHBondContact OD2-NH1 2.71Å; D148-R256 VanDerWaalsContact OD2-NH1 3.13Å; T179-R256 PolarHBondContact OG1-NH1 3.24Å; R256-E258 VanDerWaalsContact C-N 3.26Å; R256-E258 PolarHBondContact O-N 3.36Å; R256-A259 PolarHBondContact O-N 3.15Å; R256-E260 HydrophobicContact CG-CG 4.4Å; R256-E260 WeakPolarHBondContact CG-OE1 3.42Å; R256-E260 IonicContact CZ-OE1 3.19Å; R256-E260 IonicContact NE-OE1 2.79Å; R256-E260 PolarHBondContact NE-OE1 2.96Å; R256-E260 IonicContact NH2-OE1 2.72Å; R256-E260 WeakPolarHBondContact O-CB 3.41Å; R256-E260 WeakPolarHBondContact O-CG 3.37Å; R256-E260 PolarHBondContact O-N 2.99Å
257K96.5Very high83.7Confident183 Ų18375.4 Ų75.480%0.79640%0.404SS*.Hα-helixtrans-59-36.2178.2-178.3175.9178.9177.40112.9S255 A261S255-K257 VanDerWaalsContact C-N 3.33Å; S255-K257 PolarHBondContact O-N 3.41Å; K257-A261 WeakPolarHBondContact O-CB 3.24Å; K257-A261 PolarHBondContact O-N 2.9Å
258E96.1Very high85.7Confident39 Ų3977.2 Ų77.218%0.18240%0.399CS..Hα-helixtrans-76-47.7179-169.3-177.9140.400110G206 K252 S255 R256 E260 A261 T262G206-E258 VanDerWaalsContact CA-CG 3.49Å; G206-E258 WeakPolarHBondContact CA-OE1 3.48Å; G206-E258 PolarHBondContact N-OE1 2.89Å; K252-E258 IonicContact NZ-OE2 2.97Å; K252-E258 PolarHBondContact NZ-OE2 3.18Å; S255-E258 WeakPolarHBondContact O-CB 3.48Å; S255-E258 PolarHBondContact O-N 2.83Å; S255-E258 WeakPolarHBondContact OG-CB 3.18Å; S255-E258 PolarHBondContact OG-OE2 3.36Å; R256-E258 VanDerWaalsContact C-N 3.26Å; R256-E258 PolarHBondContact O-N 3.36Å; E258-E260 VanDerWaalsContact C-N 3.32Å; E258-E260 PolarHBondContact O-N 3.35Å; E258-A261 PolarHBondContact O-N 3.33Å; E258-A261 VanDerWaalsContact O-N 3.08Å; E258-T262 PolarHBondContact O-N 2.82Å; E258-T262 PolarHBondContact O-OG1 3.36Å
259A97.2Very high87Confident0 Ų078.2 Ų78.20%040%0.396CS..Hα-helixtrans-57.2-44.2175.200000112.3F190 R192 G206 A208 S255 R256 A261 T262 F263F190-A259 HydrophobicContact CZ-CB 3.91Å; R192-A259 HydrophobicContact CB-CB 4.25Å; G206-A259 WeakPolarHBondContact O-CB 3.5Å; A208-A259 HydrophobicContact CB-CB 4.21Å; A208-A259 WeakPolarHBondContact CB-O 3.37Å; S255-A259 PolarHBondContact O-N 2.81Å; R256-A259 PolarHBondContact O-N 3.15Å; A259-A261 VanDerWaalsContact C-N 3.33Å; A259-A261 PolarHBondContact O-N 3.32Å; A259-T262 PolarHBondContact O-N 2.97Å; A259-F263 VanDerWaalsContact O-CB 3.27Å; A259-F263 WeakPolarHBondContact O-CB 3.38Å; A259-F263 PolarHBondContact O-N 3.39Å
260E97.3Very high88.9Confident53 Ų5369.5 Ų69.525%0.24836%0.359CS..Hα-helixtrans-63.6-36.9176.9-77.1-175.1-150.900112.5F190 R256 E258 K264F190-E260 HydrophobicContact CD1-CG 4.41Å; F190-E260 HydrophobicContact CE1-CG 3.63Å; F190-E260 HydrophobicContact CE2-CG 4.29Å; F190-E260 HydrophobicContact CZ-CB 4.31Å; F190-E260 HydrophobicContact CZ-CG 3.57Å; R256-E260 HydrophobicContact CG-CG 4.4Å; R256-E260 WeakPolarHBondContact CG-OE1 3.42Å; R256-E260 IonicContact CZ-OE1 3.19Å; R256-E260 IonicContact NE-OE1 2.79Å; R256-E260 PolarHBondContact NE-OE1 2.96Å; R256-E260 IonicContact NH2-OE1 2.72Å; R256-E260 WeakPolarHBondContact O-CB 3.41Å; R256-E260 WeakPolarHBondContact O-CG 3.37Å; R256-E260 PolarHBondContact O-N 2.99Å; E258-E260 VanDerWaalsContact C-N 3.32Å; E258-E260 PolarHBondContact O-N 3.35Å; E260-K264 WeakPolarHBondContact O-CB 3.42Å; E260-K264 WeakPolarHBondContact O-CD 3.35Å; E260-K264 WeakPolarHBondContact O-CG 3.41Å; E260-K264 PolarHBondContact O-N 3.01Å; E260-K264 IonicContact OE2-NZ 3.16Å; E260-K264 PolarHBondContact OE2-NZ 3.49Å
261A97.4Very high90.5Very high58 Ų5873.3 Ų73.348%0.47937%0.371SS..Hα-helixtrans-69.5-46.2176.800000111.4K257 E258 A259 F263 K264 S265K257-A261 WeakPolarHBondContact O-CB 3.24Å; K257-A261 PolarHBondContact O-N 2.9Å; E258-A261 PolarHBondContact O-N 3.33Å; E258-A261 VanDerWaalsContact O-N 3.08Å; A259-A261 VanDerWaalsContact C-N 3.33Å; A259-A261 PolarHBondContact O-N 3.32Å; A261-F263 PolarHBondContact O-N 3.17Å; A261-K264 PolarHBondContact O-N 3.48Å; A261-S265 PolarHBondContact O-N 2.89Å
262T96.9Very high92Very high32 Ų3272.4 Ų72.420%0.19637%0.367CS..Hα-helixtrans-57.2-48.7174.6-54.10000111L204 D205 A208 E258 A259 K264 S265 L266L204-T262 HydrophobicContact CB-CG2 3.6Å; L204-T262 HydrophobicContact CD1-CG2 3.91Å; L204-T262 HydrophobicContact CG-CG2 4.44Å; D205-T262 WeakPolarHBondContact O-CB 3.47Å; D205-T262 PolarHBondContact O-OG1 3.03Å; A208-T262 HydrophobicContact CB-CG2 3.85Å; E258-T262 PolarHBondContact O-N 2.82Å; E258-T262 PolarHBondContact O-OG1 3.36Å; A259-T262 PolarHBondContact O-N 2.97Å; T262-K264 PolarHBondContact O-N 3.29Å; T262-S265 WeakPolarHBondContact O-CB 3.09Å; T262-S265 PolarHBondContact O-N 2.97Å; T262-L266 WeakPolarHBondContact O-CB 3.32Å; T262-L266 PolarHBondContact O-N 2.94Å
263F96.6Very high92.9Very high36 Ų3674 Ų7416%0.15837%0.37CS..Hα-helixtrans-62.8-41.8177.8-177.2-99.9000112.7F190 A208 L214 T215 A259 A261 S265 L266 V267F190-F263 HydrophobicContact CD2-CD1 4.26Å; F190-F263 HydrophobicContact CD2-CG 4.37Å; F190-F263 HydrophobicContact CE2-CB 3.98Å; F190-F263 HydrophobicContact CE2-CD1 4.26Å; F190-F263 HydrophobicContact CE2-CG 4.06Å; A208-F263 HydrophobicContact CB-CB 4.49Å; L214-F263 WeakPolarHBondContact O-CZ 3.38Å; T215-F263 HydrophobicContact CG2-CE2 4.19Å; T215-F263 HydrophobicContact CG2-CZ 4.38Å; A259-F263 VanDerWaalsContact O-CB 3.27Å; A259-F263 WeakPolarHBondContact O-CB 3.38Å; A259-F263 PolarHBondContact O-N 3.39Å; A261-F263 PolarHBondContact O-N 3.17Å; F263-S265 VanDerWaalsContact C-N 3.27Å; F263-S265 PolarHBondContact O-N 2.89Å; F263-L266 PolarHBondContact O-N 3.3Å; F263-V267 HydrophobicContact CD1-CG2 4.21Å; F263-V267 HydrophobicContact CD2-CG2 4.47Å; F263-V267 HydrophobicContact CE1-CG2 3.82Å; F263-V267 HydrophobicContact CE2-CG2 4.11Å; F263-V267 HydrophobicContact CZ-CG2 3.76Å; F263-V267 WeakPolarHBondContact O-CG2 3.18Å; F263-V267 PolarHBondContact O-N 3.5Å
264K95.8Very high93.3Very high115 Ų11571.6 Ų71.650%0.535%0.354SS..Hα-helixtrans-63.4-30.3175.1-73.1160.8-165.2162.10112.5E260 A261 T262 K268E260-K264 WeakPolarHBondContact O-CB 3.42Å; E260-K264 WeakPolarHBondContact O-CD 3.35Å; E260-K264 WeakPolarHBondContact O-CG 3.41Å; E260-K264 PolarHBondContact O-N 3.01Å; E260-K264 IonicContact OE2-NZ 3.16Å; E260-K264 PolarHBondContact OE2-NZ 3.49Å; A261-K264 PolarHBondContact O-N 3.48Å; T262-K264 PolarHBondContact O-N 3.29Å; K264-K268 WeakPolarHBondContact O-CG 3.1Å
265S95.9Very high93Very high74 Ų7473.8 Ų73.852%0.51736%0.362SS..Hα-helixtrans-76.2-43.2173.8-165.30000112.1A261 T262 F263 K268 T269A261-S265 PolarHBondContact O-N 2.89Å; T262-S265 WeakPolarHBondContact O-CB 3.09Å; T262-S265 PolarHBondContact O-N 2.97Å; F263-S265 VanDerWaalsContact C-N 3.27Å; F263-S265 PolarHBondContact O-N 2.89Å; S265-K268 PolarHBondContact O-N 2.95Å; S265-T269 PolarHBondContact O-N 3.42Å; S265-T269 PolarHBondContact O-OG1 3.4Å
266L94.3Very high92.1Very high11 Ų1177.8 Ų77.86%0.05838%0.384CS..Hα-helixtrans-57.8-50.8177.1173.4160.3000112.2L204 C210 T215 T262 F263 K268 T269 H270 W275L204-L266 HydrophobicContact CD1-CD1 3.75Å; C210-L266 HydrophobicContact CB-CD1 3.65Å; T215-L266 HydrophobicContact CG2-CD2 4.03Å; T262-L266 WeakPolarHBondContact O-CB 3.32Å; T262-L266 PolarHBondContact O-N 2.94Å; F263-L266 PolarHBondContact O-N 3.3Å; L266-K268 VanDerWaalsContact C-N 3.33Å; L266-K268 PolarHBondContact O-N 2.97Å; L266-T269 WeakPolarHBondContact O-CB 3.18Å; L266-T269 PolarHBondContact O-N 3.39Å; L266-T269 VanDerWaalsContact O-N 3.1Å; L266-H270 PolarHBondContact O-CD2 3.3Å; L266-H270 PolarHBondContact O-N 2.97Å; L266-W275 HydrophobicContact CD2-CH2 3.96Å; L266-W275 HydrophobicContact CD2-CZ2 4.16Å
267V93Very high90.5Very high35 Ų3578.5 Ų78.521%0.21240%0.403CS..Hα-helixtrans-60.5-44.5-178174.30000110.5T215 F263 T269 H270 E271T215-V267 HydrophobicContact CG2-CG2 3.88Å; F263-V267 HydrophobicContact CD1-CG2 4.21Å; F263-V267 HydrophobicContact CD2-CG2 4.47Å; F263-V267 HydrophobicContact CE1-CG2 3.82Å; F263-V267 HydrophobicContact CE2-CG2 4.11Å; F263-V267 HydrophobicContact CZ-CG2 3.76Å; F263-V267 WeakPolarHBondContact O-CG2 3.18Å; F263-V267 PolarHBondContact O-N 3.5Å; V267-T269 VanDerWaalsContact C-N 3.31Å; V267-T269 PolarHBondContact O-N 2.83Å; V267-H270 PolarHBondContact O-N 3.3Å; V267-E271 WeakPolarHBondContact O-CB 3.46Å; V267-E271 PolarHBondContact O-N 3.02Å
268K93.4Very high88.5Confident146 Ų14672.6 Ų72.664%0.63538%0.384SS*.Hα-helixtrans-61.6-37.9175.7-69.1176.9179.3-173.10112.8K264 S265 L266 K272K264-K268 WeakPolarHBondContact O-CG 3.1Å; S265-K268 PolarHBondContact O-N 2.95Å; L266-K268 VanDerWaalsContact C-N 3.33Å; L266-K268 PolarHBondContact O-N 2.97Å; K268-K272 WeakPolarHBondContact O-CB 3.46Å; K268-K272 PolarHBondContact O-N 3.16Å; K268-K272 VanDerWaalsContact O-N 3.08Å
269T91.4Very high86.5Confident63 Ų6374.6 Ų74.639%0.38740%0.4SS..Hα-helixtrans-66.1-49.9179.2-57.50000110.7S265 L266 V267 E271 K272 Y273S265-T269 PolarHBondContact O-N 3.42Å; S265-T269 PolarHBondContact O-OG1 3.4Å; L266-T269 WeakPolarHBondContact O-CB 3.18Å; L266-T269 PolarHBondContact O-N 3.39Å; L266-T269 VanDerWaalsContact O-N 3.1Å; V267-T269 VanDerWaalsContact C-N 3.31Å; V267-T269 PolarHBondContact O-N 2.83Å; T269-E271 VanDerWaalsContact C-N 3.35Å; T269-E271 PolarHBondContact O-N 3.3Å; T269-K272 PolarHBondContact O-N 3.42Å; T269-Y273 HydrophobicContact CG2-CD2 3.97Å; T269-Y273 VanDerWaalsContact O-CD2 3.3Å; T269-Y273 WeakPolarHBondContact O-CD2 3.3Å; T269-Y273 PolarHBondContact O-N 2.82Å
270H89.4Confident84.5Confident43 Ų4383 Ų8320%0.19944%0.443CS..Hα-helixtrans-75.4-20.4178-69.5-66.3000114.2L266 V267 G274 W275L266-H270 PolarHBondContact O-CD2 3.3Å; L266-H270 PolarHBondContact O-N 2.97Å; V267-H270 PolarHBondContact O-N 3.3Å; H270-G274 PolarHBondContact ND1-O 3.1Å; H270-G274 CarbonylContact O-C 3.45Å; H270-G274 WeakPolarHBondContact O-CA 3.36Å; H270-G274 PolarHBondContact O-N 2.86Å; H270-W275 HydrophobicContact CB-CD2 3.92Å; H270-W275 VanDerWaalsContact CB-CE2 3.47Å; H270-W275 HydrophobicContact CB-CG 4.3Å; H270-W275 HydrophobicContact CB-CH2 4.39Å; H270-W275 HydrophobicContact CB-CZ2 3.72Å; H270-W275 AromaticContact CD2-CH2 3.38Å; H270-W275 WeakPolarHBondContact CD2-CH2 3.49Å; H270-W275 AromaticContact CD2-CZ2 3.59Å; H270-W275 AromaticContact CD2-CZ3 3.63Å; H270-W275 AromaticContact CE1-CE3 3.72Å; H270-W275 AromaticContact CE1-CZ3 3.74Å; H270-W275 AromaticContact CG-CD2 3.68Å; H270-W275 AromaticContact CG-CE2 3.58Å; H270-W275 AromaticContact CG-CE3 3.83Å; H270-W275 AromaticContact CG-CH2 3.79Å; H270-W275 AromaticContact CG-CZ2 3.63Å; H270-W275 AromaticContact CG-CZ3 3.9Å; H270-W275 AromaticContact ND1-CD2 3.7Å; H270-W275 AromaticContact ND1-CE3 3.63Å; H270-W275 AromaticContact ND1-CZ3 3.97Å; H270-W275 AromaticContact NE2-CE3 4Å; H270-W275 AromaticContact NE2-CH2 3.76Å; H270-W275 AromaticContact NE2-CZ3 3.55Å
271E89.1Confident82.5Confident130 Ų13085 Ų8561%0.60746%0.464SS*.Hα-helixtrans-68.5-41.2168.2-178.1168.8-138.400111.5V267 T269V267-E271 WeakPolarHBondContact O-CB 3.46Å; V267-E271 PolarHBondContact O-N 3.02Å; T269-E271 VanDerWaalsContact C-N 3.35Å; T269-E271 PolarHBondContact O-N 3.3Å
272K89.1Confident80.3Confident152 Ų15287 Ų8766%0.66147%0.466SS*.Hα-helixtrans-77.8-40.1179.7-175.8179.1176.3-165.60114K268 T269K268-K272 WeakPolarHBondContact O-CB 3.46Å; K268-K272 PolarHBondContact O-N 3.16Å; K268-K272 VanDerWaalsContact O-N 3.08Å; T269-K272 PolarHBondContact O-N 3.42Å
273Y88.1Confident77.6Confident159 Ų15992 Ų9262%0.62452%0.524SS*.Hα-helixtrans-111.9-4.7-171.8-59.3-70.5000114.2T269T269-Y273 HydrophobicContact CG2-CD2 3.97Å; T269-Y273 VanDerWaalsContact O-CD2 3.3Å; T269-Y273 WeakPolarHBondContact O-CD2 3.3Å; T269-Y273 PolarHBondContact O-N 2.82Å
274G84.8Confident76.7Confident28 Ų2894.9 Ų94.929%0.28954%0.543SS..  trans82.7179-178.300000114.6H270H270-G274 PolarHBondContact ND1-O 3.1Å; H270-G274 CarbonylContact O-C 3.45Å; H270-G274 WeakPolarHBondContact O-CA 3.36Å; H270-G274 PolarHBondContact O-N 2.86Å
275W82.1Confident75.6Confident61 Ų6193.8 Ų93.823%0.23155%0.545CS..PPolyproline II helixtrans-101.9116.4168.4-70.8100.2000109.1E212 T215 L266 H270E212-W275 HydrophobicContact CB-CD2 3.67Å; E212-W275 HydrophobicContact CB-CE3 4.03Å; E212-W275 HydrophobicContact CB-CG 4Å; E212-W275 HydrophobicContact CB-CH2 4.42Å; E212-W275 HydrophobicContact CB-CZ2 4.09Å; E212-W275 HydrophobicContact CB-CZ3 4.38Å; E212-W275 HydrophobicContact CG-CD2 4.08Å; E212-W275 HydrophobicContact CG-CG 3.94Å; T215-W275 HydrophobicContact CG2-CH2 4.4Å; T215-W275 HydrophobicContact CG2-CZ2 3.71Å; L266-W275 HydrophobicContact CD2-CH2 3.96Å; L266-W275 HydrophobicContact CD2-CZ2 4.16Å; H270-W275 HydrophobicContact CB-CD2 3.92Å; H270-W275 VanDerWaalsContact CB-CE2 3.47Å; H270-W275 HydrophobicContact CB-CG 4.3Å; H270-W275 HydrophobicContact CB-CH2 4.39Å; H270-W275 HydrophobicContact CB-CZ2 3.72Å; H270-W275 AromaticContact CD2-CH2 3.38Å; H270-W275 WeakPolarHBondContact CD2-CH2 3.49Å; H270-W275 AromaticContact CD2-CZ2 3.59Å; H270-W275 AromaticContact CD2-CZ3 3.63Å; H270-W275 AromaticContact CE1-CE3 3.72Å; H270-W275 AromaticContact CE1-CZ3 3.74Å; H270-W275 AromaticContact CG-CD2 3.68Å; H270-W275 AromaticContact CG-CE2 3.58Å; H270-W275 AromaticContact CG-CE3 3.83Å; H270-W275 AromaticContact CG-CH2 3.79Å; H270-W275 AromaticContact CG-CZ2 3.63Å; H270-W275 AromaticContact CG-CZ3 3.9Å; H270-W275 AromaticContact ND1-CD2 3.7Å; H270-W275 AromaticContact ND1-CE3 3.63Å; H270-W275 AromaticContact ND1-CZ3 3.97Å; H270-W275 AromaticContact NE2-CE3 4Å; H270-W275 AromaticContact NE2-CH2 3.76Å; H270-W275 AromaticContact NE2-CZ3 3.55Å
276V75.7Confident74.5Confident122 Ų12294.9 Ų94.974%0.73955%0.546SS*.PPolyproline II helixtrans-92.6124.6176.7-1780000108.3
277S60.5Low73.4Confident108 Ų10899.8 Ų99.876%0.75558%0.575SS**PPolyproline II helixtrans-74.7128.2165.5-65.90000108.8
278P55.3Low72.1Confident59 Ų59103.9 Ų103.938%0.38360%0.598SS.*PPolyproline II helixtrans-56.1152.6172.2-25.634.9000111.8
279P52.8Low70.7Confident81 Ų81101.1 Ų101.153%0.52660%0.595SS.*PPolyproline II helixtrans-52.2152.9171.9-27.136.8000113S281 D282P279-S281 WeakPolarHBondContact CB-OG 3.39Å; P279-S281 PolarHBondContact O-N 3.43Å; P279-D282 PolarHBondContact O-N 3.2Å
280I55.3Low69.2Low177 Ų177103.8 Ų103.891%0.90861%0.61SS**THydrogen-bonded Turntrans-69.4-14.6-179-58.8173.4000111.6D282I280-D282 VanDerWaalsContact C-N 3.25Å; I280-D282 PolarHBondContact O-N 2.9Å
281S56.3Low67.7Low96 Ų96108.5 Ų108.567%0.67164%0.642SS**THydrogen-bonded Turntrans-68.9-15.2176.548.70000115.3P279 G283P279-S281 WeakPolarHBondContact CB-OG 3.39Å; P279-S281 PolarHBondContact O-N 3.43Å; S281-G283 VanDerWaalsContact C-N 3.33Å; S281-G283 PolarHBondContact O-N 3.08Å
282D50.6Low65.9Low99 Ų99106.7 Ų106.753%0.52965%0.645SS.*  trans-99.644.2-166.9-54.2-1.2000110.9P279 I280P279-D282 PolarHBondContact O-N 3.2Å; I280-D282 VanDerWaalsContact C-N 3.25Å; I280-D282 PolarHBondContact O-N 2.9Å
283G40.3Very low63.8Low138 Ų138102.5 Ų102.5100%1.42364%0.643SS**  trans-163.60-175.400000113.9S281S281-G283 VanDerWaalsContact C-N 3.33Å; S281-G283 PolarHBondContact O-N 3.08Å

Retrieved 283 of 283 residues in 179.1 ms (Link to these results)