A0A096NW27_PAPAN Loading...

Multiple coagulation factor deficiency 2, ER cargo receptor complex subunit

AlphaFold DB , UniProt , Accession A0A096NW27, Species PAPAN (Papio anubis, Olive baboon), Gene MCFD2, Length 171 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
1M43Very low47.8Very low255 Ų255148.2 Ų148.2100%1.25682%0.824SS**  0113.10-79.8133.4114.100107.3
2S52.1Low47.1Very low117 Ų117143.4 Ų143.482%0.81882%0.818SS**  trans-108.6133.4-179178.30000107.5
3S51.1Low46.8Very low115 Ų115145.5 Ų145.580%0.80482%0.824SS**  trans177.1151.9166.3-89.30000109.8
4P56.5Low46.5Very low116 Ų116143 Ų14375%0.75382%0.816SS**  -129171.3-94.625.5-3.6000113.8
5E49.9Very low45.7Very low170 Ų170139.9 Ų139.979%0.79481%0.807SS**  trans-56.2144164.1-61.2-156.299.300112.5
6R51.7Low45.4Very low239 Ų239137.6 Ų137.690%0.90280%0.801SS**  trans-128.697.2153.9-69.9-159.4-63.6-151.50.6109.4
7N47.6Very low44.9Very low140 Ų140134.6 Ų134.675%0.74979%0.79SS**  trans-75.2128.7152.6-110-50.8000108.8
8L50.1Low45Very low162 Ų162134.8 Ų134.885%0.84879%0.793SS**  trans-158.3104.1157.6-89159.4000102.7
9G39.6Very low44.4Very low55 Ų55136.9 Ų136.957%0.56779%0.791SS**  cis90.9100.633.700000108.9
10S43.1Very low44Very low106 Ų106134.8 Ų134.874%0.74178%0.782SS**  trans65.2118.1159540000118.9
11D41Very low43.8Very low155 Ų155135.6 Ų135.683%0.82979%0.789SS**  -173.6122103.3-81.9-28000113.5
12A39.7Very low43.8Very low91 Ų91128 Ų12875%0.75276%0.761SS**  trans35.1115.8145.500000121.4
13L42.7Very low42.9Very low171 Ų171130.9 Ų130.990%0.89576%0.761SS**  trans-69.7146.7133.6-66.9173.9000107.8
14P43.3Very low42.4Very low110 Ų110133.5 Ų133.571%0.71477%0.765SS**  -149.1159.686.540.1-22.9000115.7
15S34.7Very low41.4Very low97 Ų97135.9 Ų135.968%0.67877%0.77SS**  trans73.1110.8130.6165.20000119
16S40.6Very low40.8Very low102 Ų102136.5 Ų136.571%0.71378%0.775SS**  trans52109.2132.271.10000118.2
17S36.7Very low40.1Very low88 Ų88130.8 Ų130.862%0.61577%0.767SS**  -150.396.812847.40000109.5F19S17-F19 PolarHBondContact O-N 2.93Å; S17-F19 VanDerWaalsContact O-N 3.16Å; S17-F19 WeakPolarHBondContact OG-CE2 3.02Å
18V45.9Very low39.7Very low138 Ų138132.4 Ų132.484%0.83677%0.772SS**  trans-49.8112.6150.8175.60000106
19F34.3Very low39.5Very low175 Ų175136.8 Ų136.877%0.76878%0.777SS**  trans-117121.8164.2-81-65.8000109.6S17S17-F19 PolarHBondContact O-N 2.93Å; S17-F19 VanDerWaalsContact O-N 3.16Å; S17-F19 WeakPolarHBondContact OG-CE2 3.02Å
20P36Very low39.3Very low94 Ų94139 Ų13961%0.6178%0.784SS**  trans-74.5145.2-164.530.2-35.4000111.6S22P20-S22 PolarHBondContact O-N 2.84Å
21V41.3Very low39.5Very low152 Ų152142.7 Ų142.792%0.92179%0.794SS**SBendtrans-6577.1161.6-176.70000108.1
22S42.3Very low39.8Very low95 Ų95141.8 Ų141.866%0.66479%0.789SS**  trans-167.4100.2170.1-89.20000105.4P20P20-S22 PolarHBondContact O-N 2.84Å
23Q34Very low40.2Very low178 Ų178147.4 Ų147.483%0.83279%0.791SS**  trans164.494.8151.3-83.5-81.227.100105.9
24I39.3Very low40.7Very low170 Ų170146.4 Ų146.487%0.87279%0.792SS**SBendtrans163.477.3141.9-74.1148.6000106
25L36.8Very low41.4Very low166 Ų166146 Ų14687%0.86979%0.79SS**  trans-166.168.4143-165.161.5000109.6
26M36.8Very low41.9Very low183 Ų183150.5 Ų150.590%0.90180%0.797SS**  trans-139.678.4168.1-83.4-168.3141.300110.3
27T36.5Very low42.5Very low119 Ų119153.6 Ų153.673%0.7381%0.805SS**  trans178.9101152.26.80000105.9
28M39.9Very low42.7Very low174 Ų174155.3 Ų155.386%0.85782%0.815SS**  -164.486.688.6-76.5-8495.300109.5
29R45.1Very low42.7Very low253 Ų253151.7 Ų151.796%0.95581%0.806SS**  trans-105.594.5158-84.9-177.9161.4172.5-3.4107.3
30S35.3Very low43.2Very low101 Ų101151 Ų15171%0.70681%0.809SS**  trans-178.198.2157.9-170.20000111
31L47.3Very low44Very low184 Ų184154.5 Ų154.596%0.96382%0.822SS**  trans-140.8108130.7-78.4-174.8000107.3
32L47.8Very low44Very low137 Ų137158.7 Ų158.772%0.71782%0.822SS**  trans-94.7145-172.5-156.974.5000109.2
33R48.9Very low44.3Very low209 Ų209158.2 Ų158.279%0.78982%0.823SS**  trans72.7112150.1-85.6166.1175.1173.8-1.9119.9
34T52.4Low44.5Very low149 Ų149159.2 Ų159.291%0.91483%0.825SS**  -141.1112.1129.334.10000110.8
35P56.8Low44.4Very low103 Ų103157.6 Ų157.667%0.66983%0.828SS**  trans-108.9121.816333.4-21.6000110.2
36F46.9Very low45Very low191 Ų191153.7 Ų153.784%0.83882%0.819SS**  trans172.1117.3154.8-120.6-112.8000105.1
37L52.5Low45.6Very low166 Ų166150.8 Ų150.887%0.86981%0.814SS**  -155.7140.377.5-85.5155.2000111.5
38C40.1Very low45.7Very low124 Ų124149 Ų14984%0.83882%0.819SS**  trans-91.9154.6-177.3-177.80000111.3
39G45.9Very low45.8Very low63 Ų63147.1 Ų147.165%0.64982%0.818SS**  trans93.5132158.800000114.1
40L46.1Very low45.2Very low159 Ų159146.2 Ų146.283%0.83281%0.814SS**  cis-163.7136.720.2-90.3126.6000107.2
41L51.2Low45.5Very low168 Ų168145.2 Ų145.288%0.8881%0.812SS**  -167.5109.7117.2-138.269.3000110.6
42W43.1Very low44.9Very low241 Ų241144.6 Ų144.691%0.91380%0.804SS**  trans-53.3140.7156.5-76.3-22.4000110.6
43A47.1Very low44.4Very low84 Ų84146.4 Ų146.469%0.69481%0.809SS**  162.9125.995.700000112.4
44F39.8Very low44.3Very low199 Ų199141.6 Ų141.687%0.87381%0.805SS**  trans51.3114.9135.4-77.9-100.4000120.7
45C36.8Very low43.5Very low137 Ų137139.2 Ų139.293%0.92680%0.8SS**  -149.7140.4113.2-146.60000111.1
46A49.1Very low42.4Very low83 Ų83139.4 Ų139.469%0.68681%0.81SS**  trans-83.8178.2-161.200000114.1
47P49.7Very low41.8Very low123 Ų123135.4 Ų135.480%0.79981%0.806SS**  trans-88.6147.4-160.436.2-32.6000113.7
48G39.1Very low40.9Very low80 Ų80136.5 Ų136.583%0.82580%0.804SS**  trans-111.1105.5168.900000110.7
49T40.7Very low40.5Very low136 Ų136134.7 Ų134.783%0.83479%0.793SS**  trans-67.7136.916750.60000110.8
50R33Very low40.3Very low233 Ų233140.5 Ų140.588%0.87980%0.803SS**  trans-165.6121.7136.7-164.5161.8155.6172.1-8.7111.4
51A40.7Very low40.4Very low80 Ų80138.7 Ų138.766%0.66180%0.801SS**  trans-73.4155168.600000111.5
52E34.6Very low39.8Very low172 Ų172134.4 Ų134.480%0.80480%0.797SS**  trans-166.4117.6137.4-81-57.379.100108
53E38.3Very low39.7Very low175 Ų175128.7 Ų128.782%0.81879%0.794SS**  trans-86.5-175.1153.8-68.7-88.2136.800107.8
54P45.9Very low39.8Very low108 Ų108134.1 Ų134.170%0.70181%0.808SS**  cis-137.7171.1-532.6-9.9000116
55A35.6Very low39.7Very low98 Ų98127.5 Ų127.581%0.8180%0.795SS**  trans44130139.400000123.6
56A34.5Very low40.6Very low107 Ų107129.2 Ų129.288%0.88479%0.794SS**  -164134.7127.500000113.2
57S33.9Very low40.2Very low108 Ų108130.3 Ų130.376%0.75579%0.789SS**  trans-72.8154.5172.3178.20000112.5
58F33.2Very low40.5Very low189 Ų189134.1 Ų134.183%0.82979%0.792SS**  170.4123116.8-146-118.1000113.9
59S32.5Very low41.1Very low85 Ų85135.8 Ų135.859%0.59478%0.783SS**  trans62.7126.8135.9-55.10000124.8
60Q40.9Very low41.5Very low185 Ų185134.5 Ų134.586%0.86478%0.775SS**  trans-54.4178.4151.1-52-166.8-71.300112
61P48.8Very low42.4Very low122 Ų122128.8 Ų128.879%0.79277%0.765SS**  cis-143.9169.810.539.1-17.8000117.1
62G37.4Very low42.9Very low78 Ų78129.6 Ų129.680%0.80476%0.755SS**  trans81.8112.6139.600000119.4
63S41.8Very low43.9Very low120 Ų120126.3 Ų126.384%0.83974%0.743SS**  -163.1115.3128.5-164.50000109.3G65S63-G65 PolarHBondContact O-N 2.75Å
64M48.8Very low44.6Very low199 Ų199125.2 Ų125.298%0.9874%0.738SS**  trans-68.785.4165.2-73.4178.6154.600107.9
65G38.3Very low44.7Very low59 Ų59126.6 Ų126.661%0.60874%0.735SS**  trans-92.3108.5163.100000107.6S63 D67S63-G65 PolarHBondContact O-N 2.75Å; G65-D67 PolarHBondContact O-N 2.82Å
66L54.9Low45.5Very low173 Ų173127.1 Ų127.191%0.90672%0.721SS**  trans-70.979.4170.5-132.2166.3000107.2
67D41Very low46.6Very low107 Ų107124.2 Ų124.257%0.57269%0.69SS**  trans-75127.5175.8-174.8-5.4000108.8G65 N69G65-D67 PolarHBondContact O-N 2.82Å; D67-N69 PolarHBondContact O-N 2.76Å; D67-N69 WeakPolarHBondContact OD1-CA 3.39Å; D67-N69 WeakPolarHBondContact OD1-CB 3.5Å; D67-N69 PolarHBondContact OD1-N 3.04Å
68K56.7Low47.6Very low202 Ų202124 Ų12488%0.87868%0.678SS**SBendtrans-89.220.6175.7-71.6178.5165.8-177.70112.1
69N50.6Low48.6Very low116 Ų116122.8 Ų122.862%0.6268%0.675SS**  trans-123.941.4-177.1-146.333.8000110.9D67 V71D67-N69 PolarHBondContact O-N 2.76Å; D67-N69 WeakPolarHBondContact OD1-CA 3.39Å; D67-N69 WeakPolarHBondContact OD1-CB 3.5Å; D67-N69 PolarHBondContact OD1-N 3.04Å; N69-V71 PolarHBondContact O-N 2.91Å
70T49.5Very low49.5Very low109 Ų109122 Ų12267%0.66966%0.662SS**  trans-73.758.3168.116.10000110.7H72T70-H72 PolarHBondContact O-N 2.93Å
71V52.1Low50.2Low112 Ų112115.1 Ų115.168%0.67963%0.631SS**  trans-65.492.1142.1-178.40000102.9N69 D73N69-V71 PolarHBondContact O-N 2.91Å; V71-D73 PolarHBondContact O-N 3.44Å
72H50.9Low50.4Low98 Ų98118.4 Ų118.445%0.45464%0.635SS.*  trans-52119.7175.5-112.553.3000106.7T70 Q74 H76 I77T70-H72 PolarHBondContact O-N 2.93Å; H72-Q74 PolarHBondContact O-N 3.23Å; H72-H76 AromaticContact CD2-ND1 3.55Å; H72-H76 AromaticContact NE2-ND1 3.62Å; H72-I77 HydrophobicContact CB-CD1 4.1Å; H72-I77 HydrophobicContact CB-CG1 3.9Å; H72-I77 WeakPolarHBondContact O-CD1 3.45Å
73D55.4Low51Low103 Ų103117.4 Ų117.455%0.55163%0.626SS**  trans-51.2133-177.5-64.5-53.9000108.1V71 E75 H76 I77V71-D73 PolarHBondContact O-N 3.44Å; D73-E75 HydrophobicContact CB-CG 3.63Å; D73-E75 PolarHBondContact O-N 3.25Å; D73-H76 PolarHBondContact O-N 3.33Å; D73-I77 PolarHBondContact O-N 3.27Å
74Q53.5Low51.5Low151 Ų151112.3 Ų112.371%0.70659%0.589SS**Hα-helixtrans-47-32.9-175.7-172.4-177.3-27.800111.9H72 I77 M78H72-Q74 PolarHBondContact O-N 3.23Å; Q74-I77 PolarHBondContact O-N 3.31Å; Q74-M78 HydrophobicContact CG-CE 4.05Å; Q74-M78 WeakPolarHBondContact O-CB 3.25Å; Q74-M78 WeakPolarHBondContact O-CE 3.37Å; Q74-M78 VanDerWaalsContact O-CG 3.25Å; Q74-M78 WeakPolarHBondContact O-CG 3.41Å; Q74-M78 PolarHBondContact O-N 3.1Å
75E48.7Very low51.6Low137 Ų137109 Ų10964%0.6457%0.574SS**Hα-helixtrans-64.4-38.1173.949.4-156.5-165.900115.3D73 M78 E79D73-E75 HydrophobicContact CB-CG 3.63Å; D73-E75 PolarHBondContact O-N 3.25Å; E75-M78 HydrophobicContact CB-CE 4.33Å; E75-M78 PolarHBondContact O-N 3.04Å; E75-E79 PolarHBondContact O-N 3.01Å; E75-E79 VanDerWaalsContact O-N 3.1Å
76H52.6Low52.2Low110 Ų110113.5 Ų113.551%0.50958%0.584SS.*Hα-helixtrans-77.5-26.9175.1-157.1-78000112.2H72 D73H72-H76 AromaticContact CD2-ND1 3.55Å; H72-H76 AromaticContact NE2-ND1 3.62Å; D73-H76 PolarHBondContact O-N 3.33Å
77I57.1Low52.4Low46 Ų46110 Ų11024%0.23656%0.561CS.*Hα-helixtrans-67.6-49.9169.4-58.3177000108.4H72 D73 Q74 E79 H80 L81 L99 Y163H72-I77 HydrophobicContact CB-CD1 4.1Å; H72-I77 HydrophobicContact CB-CG1 3.9Å; H72-I77 WeakPolarHBondContact O-CD1 3.45Å; D73-I77 PolarHBondContact O-N 3.27Å; Q74-I77 PolarHBondContact O-N 3.31Å; I77-E79 VanDerWaalsContact C-N 3.33Å; I77-E79 PolarHBondContact O-N 3.45Å; I77-H80 PolarHBondContact O-N 3.48Å; I77-L81 VanDerWaalsContact C-CD1 3.49Å; I77-L81 HydrophobicContact CG2-CD1 3.8Å; I77-L81 WeakPolarHBondContact O-CD1 3.43Å; I77-L81 PolarHBondContact O-N 3.38Å; I77-L99 HydrophobicContact CG2-CD2 4.41Å; I77-Y163 HydrophobicContact CD1-CE1 4.39Å; I77-Y163 HydrophobicContact CG2-CE1 4.23Å
78M55.8Low53.6Low103 Ų103108.1 Ų108.151%0.50756%0.556SS.*Hα-helixtrans-55.7-38.6177.6-76.3-174.2-64.900114.1Q74 E75 H80 L81Q74-M78 HydrophobicContact CG-CE 4.05Å; Q74-M78 WeakPolarHBondContact O-CB 3.25Å; Q74-M78 WeakPolarHBondContact O-CE 3.37Å; Q74-M78 VanDerWaalsContact O-CG 3.25Å; Q74-M78 WeakPolarHBondContact O-CG 3.41Å; Q74-M78 PolarHBondContact O-N 3.1Å; E75-M78 HydrophobicContact CB-CE 4.33Å; E75-M78 PolarHBondContact O-N 3.04Å; M78-H80 PolarHBondContact O-N 3.23Å; M78-L81 WeakPolarHBondContact O-CB 2.94Å; M78-L81 PolarHBondContact O-N 3.47Å
79E53.9Low54.1Low163 Ų163103 Ų10376%0.76254%0.535SS*.Hα-helixtrans-70.4-20.4179-156.8173.1-167.500113.1E75 I77E75-E79 PolarHBondContact O-N 3.01Å; E75-E79 VanDerWaalsContact O-N 3.1Å; I77-E79 VanDerWaalsContact C-N 3.33Å; I77-E79 PolarHBondContact O-N 3.45Å
80H51.6Low54.9Low70 Ų70102.4 Ų102.432%0.32455%0.546SS..Hα-helixtrans-90.4-10.6174.8-137.257.8000113.9I77 M78 E82 G83 V84 E96I77-H80 PolarHBondContact O-N 3.48Å; M78-H80 PolarHBondContact O-N 3.23Å; H80-E82 VanDerWaalsContact C-N 3.27Å; H80-E82 PolarHBondContact O-N 2.95Å; H80-G83 PolarHBondContact O-N 2.86Å; H80-V84 WeakPolarHBondContact CD2-CG2 3.18Å; H80-V84 VanDerWaalsContact NE2-CG2 3.33Å; H80-V84 WeakPolarHBondContact NE2-CG2 3.18Å; H80-V84 WeakPolarHBondContact O-CG2 3.21Å; H80-E96 IonicContact CD2-OE1 3.38Å; H80-E96 IonicContact NE2-OE1 2.56Å; H80-E96 PolarHBondContact NE2-OE1 3.15Å
81L54.3Low56.1Low40 Ų40103.9 Ų103.921%0.20955%0.545CS..THydrogen-bonded Turntrans-63.2-26.5-174.4-100.667.5000114I77 M78 L99 K103I77-L81 VanDerWaalsContact C-CD1 3.49Å; I77-L81 HydrophobicContact CG2-CD1 3.8Å; I77-L81 WeakPolarHBondContact O-CD1 3.43Å; I77-L81 PolarHBondContact O-N 3.38Å; M78-L81 WeakPolarHBondContact O-CB 2.94Å; M78-L81 PolarHBondContact O-N 3.47Å; L81-L99 HydrophobicContact CD1-CD1 3.67Å; L81-L99 HydrophobicContact CD1-CD2 3.59Å; L81-L99 HydrophobicContact CD1-CG 4.21Å; L81-L99 HydrophobicContact CG-CD1 4.06Å; L81-L99 HydrophobicContact CG-CD2 4.32Å; L81-K103 HydrophobicContact CD2-CD 4.38Å; L81-K103 HydrophobicContact CG-CD 4.26Å
82E53.2Low57.2Low190 Ų19099.3 Ų99.389%0.88852%0.517SS*.THydrogen-bonded Turntrans-99.1-3-173.1-67.5-175.2168.900114.4H80H80-E82 VanDerWaalsContact C-N 3.27Å; H80-E82 PolarHBondContact O-N 2.95Å
83G51Low58.8Low58 Ų5896.6 Ų96.660%0.59851%0.509SS*.THydrogen-bonded Turntrans-122.2-9-164.400000118.3H80H80-G83 PolarHBondContact O-N 2.86Å
84V50.7Low60.1Low12 Ų1296.4 Ų96.47%0.07351%0.513CS..G310 helixtrans-86.4-10.5-166.4-178.90000114.5H80 N86 K87 M92H80-V84 WeakPolarHBondContact CD2-CG2 3.18Å; H80-V84 VanDerWaalsContact NE2-CG2 3.33Å; H80-V84 WeakPolarHBondContact NE2-CG2 3.18Å; H80-V84 WeakPolarHBondContact O-CG2 3.21Å; V84-N86 PolarHBondContact O-N 2.77Å; V84-K87 PolarHBondContact O-N 2.56Å; V84-M92 HydrophobicContact CG1-CE 4.11Å; V84-M92 HydrophobicContact CG1-SD 3.8Å
85I51.2Low61.5Low129 Ų12995 Ų9566%0.66251%0.507SS*.G310 helixtrans-63.8-10.3-167.8-59.5172.8000113.7
86N51.4Low63.1Low155 Ų15590.6 Ų90.683%0.82949%0.486SS*.G310 helixtrans-108.96.6-175.6-63.5-66000116V84V84-N86 PolarHBondContact O-N 2.77Å
87K58.9Low64.5Low98 Ų9887.4 Ų87.443%0.42647%0.472SS..SBendtrans-96.3143.7173.8-68.4-179.3-172.7166.90110.6V84 M92 E96V84-K87 PolarHBondContact O-N 2.56Å; K87-M92 HydrophobicContact CB-CE 4.35Å; K87-M92 WeakPolarHBondContact O-CE 3.33Å; K87-E96 IonicContact NZ-OE1 3.74Å
88P65.9Low65.9Low69 Ų6986.8 Ų86.845%0.44847%0.468SS..  trans-64.5139.7171.428.2-32.7000110A90 E91P88-A90 PolarHBondContact O-N 2.74Å; P88-E91 HydrophobicContact CG-CB 4.15Å; P88-E91 VanDerWaalsContact CG-CD 3.46Å; P88-E91 HydrophobicContact CG-CG 3.79Å; P88-E91 WeakPolarHBondContact CG-OE1 3.38Å; P88-E91 PolarHBondContact O-N 3.47Å
89E67.7Low67.4Low94 Ų9482.5 Ų82.544%0.43945%0.448SS..G310 helixtrans-49.7-34.6178.6-67.3-179.9176.700112.7E91 M92 L97E89-E91 PolarHBondContact O-N 3.38Å; E89-E91 VanDerWaalsContact O-N 3.11Å; E89-M92 PolarHBondContact O-N 3.35Å; E89-M92 VanDerWaalsContact O-N 3.12Å; E89-L97 HydrophobicContact CB-CD2 3.92Å; E89-L97 HydrophobicContact CG-CD2 4.21Å
90A66.6Low68.9Low103 Ų10376.3 Ų76.385%0.85142%0.418SS*.G310 helixtrans-62-16.7178.700000114.9P88P88-A90 PolarHBondContact O-N 2.74Å
91E76.6Confident70.6Confident141 Ų14177.7 Ų77.766%0.65942%0.422SS*.G310 helixtrans-105.1-2.4179.6-67.8177.3-16100113P88 E89P88-E91 HydrophobicContact CG-CB 4.15Å; P88-E91 VanDerWaalsContact CG-CD 3.46Å; P88-E91 HydrophobicContact CG-CG 3.79Å; P88-E91 WeakPolarHBondContact CG-OE1 3.38Å; P88-E91 PolarHBondContact O-N 3.47Å; E89-E91 PolarHBondContact O-N 3.38Å; E89-E91 VanDerWaalsContact O-N 3.11Å
92M74.3Confident72.4Confident16 Ų1676 Ų768%0.07941%0.412CS..SBendtrans-87141.7-178.8-64.1-170.3-149.600111.5V84 K87 E89 E96 L97 H100V84-M92 HydrophobicContact CG1-CE 4.11Å; V84-M92 HydrophobicContact CG1-SD 3.8Å; K87-M92 HydrophobicContact CB-CE 4.35Å; K87-M92 WeakPolarHBondContact O-CE 3.33Å; E89-M92 PolarHBondContact O-N 3.35Å; E89-M92 VanDerWaalsContact O-N 3.12Å; M92-E96 HydrophobicContact CB-CB 3.98Å; M92-E96 HydrophobicContact CG-CB 4.44Å; M92-L97 HydrophobicContact CB-CD2 3.82Å; M92-L97 HydrophobicContact CB-CG 3.69Å; M92-L97 HydrophobicContact CG-CD2 4.38Å; M92-L97 HydrophobicContact SD-CD2 3.98Å; M92-H100 HydrophobicContact SD-CB 4Å
93S83.8Confident74.2Confident41 Ų4169.1 Ų69.129%0.28738%0.379SS..  trans-65.4160.2167.962.80000111.4Q95 E96 L97S93-Q95 PolarHBondContact O-N 2.71Å; S93-Q95 VanDerWaalsContact O-N 3.17Å; S93-E96 VanDerWaalsContact CB-OE2 3.31Å; S93-E96 WeakPolarHBondContact CB-OE2 3.07Å; S93-E96 PolarHBondContact N-OE2 3.39Å; S93-E96 PolarHBondContact O-N 3.24Å; S93-E96 VanDerWaalsContact O-N 3.09Å; S93-E96 WeakPolarHBondContact OG-CB 3.29Å; S93-E96 VanDerWaalsContact OG-CG 3.25Å; S93-E96 WeakPolarHBondContact OG-CG 3.41Å; S93-E96 PolarHBondContact OG-N 3.14Å; S93-E96 PolarHBondContact OG-OE2 2.92Å; S93-L97 PolarHBondContact O-N 2.87Å
94P83.6Confident76Confident98 Ų9869.3 Ų69.364%0.63637%0.366SS*.Hα-helixtrans-54.3-35.9176.7-27.335.6000113.7Q98P94-Q98 WeakPolarHBondContact O-CB 3.37Å; P94-Q98 PolarHBondContact O-N 3.36Å
95Q82.2Confident78Confident123 Ų12369.6 Ų69.658%0.57537%0.366SS*.Hα-helixtrans-72.6-40.5178.2-62.280.32.500111.9S93 Q98 L99S93-Q95 PolarHBondContact O-N 2.71Å; S93-Q95 VanDerWaalsContact O-N 3.17Å; Q95-Q98 PolarHBondContact O-N 2.95Å; Q95-L99 WeakPolarHBondContact O-CB 3.23Å; Q95-L99 PolarHBondContact O-N 3.21Å
96E82.1Confident80.1Confident43 Ų4364.1 Ų64.120%0.20134%0.338CS..Hα-helixtrans-65.7-38.4173.9-75.2165.8132.900111.4H80 K87 M92 S93 L99 H100H80-E96 IonicContact CD2-OE1 3.38Å; H80-E96 IonicContact NE2-OE1 2.56Å; H80-E96 PolarHBondContact NE2-OE1 3.15Å; K87-E96 IonicContact NZ-OE1 3.74Å; M92-E96 HydrophobicContact CB-CB 3.98Å; M92-E96 HydrophobicContact CG-CB 4.44Å; S93-E96 VanDerWaalsContact CB-OE2 3.31Å; S93-E96 WeakPolarHBondContact CB-OE2 3.07Å; S93-E96 PolarHBondContact N-OE2 3.39Å; S93-E96 PolarHBondContact O-N 3.24Å; S93-E96 VanDerWaalsContact O-N 3.09Å; S93-E96 WeakPolarHBondContact OG-CB 3.29Å; S93-E96 VanDerWaalsContact OG-CG 3.25Å; S93-E96 WeakPolarHBondContact OG-CG 3.41Å; S93-E96 PolarHBondContact OG-N 3.14Å; S93-E96 PolarHBondContact OG-OE2 2.92Å; E96-L99 PolarHBondContact O-N 3.33Å; E96-H100 WeakPolarHBondContact O-CB 3.29Å; E96-H100 PolarHBondContact O-N 2.76Å
97L83.2Confident82Confident44 Ų4463.7 Ų63.723%0.2333%0.326CS..Hα-helixtrans-63.5-45.4174.1-76.7171.9000111.7E89 M92 S93 L99 H100 Y101E89-L97 HydrophobicContact CB-CD2 3.92Å; E89-L97 HydrophobicContact CG-CD2 4.21Å; M92-L97 HydrophobicContact CB-CD2 3.82Å; M92-L97 HydrophobicContact CB-CG 3.69Å; M92-L97 HydrophobicContact CG-CD2 4.38Å; M92-L97 HydrophobicContact SD-CD2 3.98Å; S93-L97 PolarHBondContact O-N 2.87Å; L97-L99 VanDerWaalsContact C-N 3.32Å; L97-L99 PolarHBondContact O-N 2.85Å; L97-H100 WeakPolarHBondContact O-CB 3.3Å; L97-H100 PolarHBondContact O-N 2.89Å; L97-H100 VanDerWaalsContact O-N 3.17Å; L97-Y101 HydrophobicContact CB-CE2 4.42Å; L97-Y101 WeakPolarHBondContact O-CD2 3.28Å; L97-Y101 PolarHBondContact O-N 2.83Å
98Q85.4Confident83.6Confident32 Ų3263.9 Ų63.915%0.1533%0.332CS..Hα-helixtrans-57.7-47.8176.4-179177.548.700111.3P94 Q95 H100 Y101 F102 Y163 F166 A167 L170P94-Q98 WeakPolarHBondContact O-CB 3.37Å; P94-Q98 PolarHBondContact O-N 3.36Å; Q95-Q98 PolarHBondContact O-N 2.95Å; Q98-H100 VanDerWaalsContact C-N 3.33Å; Q98-Y101 PolarHBondContact O-N 2.82Å; Q98-F102 PolarHBondContact O-N 2.85Å; Q98-F102 VanDerWaalsContact O-N 3.1Å; Q98-Y163 HydrophobicContact CG-CE2 4.25Å; Q98-Y163 PolarHBondContact OE1-OH 3.38Å; Q98-F166 HydrophobicContact CG-CD1 3.92Å; Q98-F166 HydrophobicContact CG-CE1 3.52Å; Q98-F166 WeakPolarHBondContact O-CE1 2.94Å; Q98-A167 VanDerWaalsContact NE2-CA 3.28Å; Q98-L170 HydrophobicContact CG-CD1 3.83Å; Q98-L170 VanDerWaalsContact NE2-CD1 3.29Å
99L87.5Confident85Confident14 Ų1462.9 Ų62.97%0.07333%0.334CS..Hα-helixtrans-64.8-38.8176.5179.263.8000112I77 L81 Q95 E96 L97 F102 K103 Y163I77-L99 HydrophobicContact CG2-CD2 4.41Å; L81-L99 HydrophobicContact CD1-CD1 3.67Å; L81-L99 HydrophobicContact CD1-CD2 3.59Å; L81-L99 HydrophobicContact CD1-CG 4.21Å; L81-L99 HydrophobicContact CG-CD1 4.06Å; L81-L99 HydrophobicContact CG-CD2 4.32Å; Q95-L99 WeakPolarHBondContact O-CB 3.23Å; Q95-L99 PolarHBondContact O-N 3.21Å; E96-L99 PolarHBondContact O-N 3.33Å; L97-L99 VanDerWaalsContact C-N 3.32Å; L97-L99 PolarHBondContact O-N 2.85Å; L99-F102 PolarHBondContact O-N 2.96Å; L99-K103 HydrophobicContact CD1-CG 4.06Å; L99-K103 HydrophobicContact CG-CG 4.35Å; L99-K103 WeakPolarHBondContact O-CB 3.42Å; L99-K103 WeakPolarHBondContact O-CG 3.41Å; L99-K103 PolarHBondContact O-N 2.95Å; L99-Y163 HydrophobicContact CB-CE2 4.09Å; L99-Y163 HydrophobicContact CD1-CD2 4.06Å; L99-Y163 HydrophobicContact CD1-CE2 3.84Å
100H86.5Confident86.3Confident32 Ų3261 Ų6115%0.14833%0.327CS..Hα-helixtrans-59.8-48.5177.1179.261000111.4M92 E96 L97 Q98 F102 K103 M104M92-H100 HydrophobicContact SD-CB 4Å; E96-H100 WeakPolarHBondContact O-CB 3.29Å; E96-H100 PolarHBondContact O-N 2.76Å; L97-H100 WeakPolarHBondContact O-CB 3.3Å; L97-H100 PolarHBondContact O-N 2.89Å; L97-H100 VanDerWaalsContact O-N 3.17Å; Q98-H100 VanDerWaalsContact C-N 3.33Å; H100-F102 VanDerWaalsContact C-N 3.33Å; H100-F102 PolarHBondContact O-N 3.26Å; H100-K103 PolarHBondContact O-N 3.13Å; H100-M104 WeakPolarHBondContact NE2-CE 3.42Å; H100-M104 VanDerWaalsContact O-CB 3.31Å; H100-M104 WeakPolarHBondContact O-CB 3.33Å; H100-M104 PolarHBondContact O-N 3.43Å
101Y86.7Confident87.7Confident100 Ų10059.8 Ų59.839%0.39231%0.306SS..Hα-helixtrans-63.5-38.2177.5-74.5-60.7000112.8L97 Q98 M104 H105L97-Y101 HydrophobicContact CB-CE2 4.42Å; L97-Y101 WeakPolarHBondContact O-CD2 3.28Å; L97-Y101 PolarHBondContact O-N 2.83Å; Q98-Y101 PolarHBondContact O-N 2.82Å; Y101-M104 HydrophobicContact CD1-CE 3.97Å; Y101-M104 HydrophobicContact CE1-CE 4.08Å; Y101-H105 PolarHBondContact O-ND1 2.87Å
102F91.1Very high88.6Confident3 Ų355.2 Ų55.21%0.01329%0.286CS..Hα-helixtrans-61.3-50.5174.4-177.5-93.3000111.1Q98 L99 H100 M104 H105 D106 N111 L113 Y163 F166Q98-F102 PolarHBondContact O-N 2.85Å; Q98-F102 VanDerWaalsContact O-N 3.1Å; L99-F102 PolarHBondContact O-N 2.96Å; H100-F102 VanDerWaalsContact C-N 3.33Å; H100-F102 PolarHBondContact O-N 3.26Å; F102-M104 PolarHBondContact O-N 3.43Å; F102-H105 PolarHBondContact O-N 3.41Å; F102-D106 PolarHBondContact O-N 3.09Å; F102-N111 WeakPolarHBondContact CZ-O 3.45Å; F102-L113 HydrophobicContact CD2-CD1 3.53Å; F102-L113 HydrophobicContact CD2-CG 3.91Å; F102-L113 HydrophobicContact CE2-CD1 3.75Å; F102-L113 HydrophobicContact CE2-CG 3.68Å; F102-L113 HydrophobicContact CG-CD1 4.39Å; F102-L113 HydrophobicContact CZ-CG 4.28Å; F102-Y163 HydrophobicContact CB-CD2 4.31Å; F102-Y163 HydrophobicContact CD1-CD2 4.2Å; F102-Y163 HydrophobicContact CD2-CD2 4.34Å; F102-Y163 HydrophobicContact CG-CD2 4.03Å; F102-F166 HydrophobicContact CB-CD1 4.19Å; F102-F166 HydrophobicContact CB-CE1 4.07Å; F102-F166 HydrophobicContact CD2-CB 4.04Å; F102-F166 AromaticContact CD2-CD1 3.93Å; F102-F166 HydrophobicContact CD2-CD1 3.93Å; F102-F166 HydrophobicContact CD2-CD2 4.46Å; F102-F166 HydrophobicContact CD2-CE1 4.5Å; F102-F166 AromaticContact CD2-CG 3.9Å; F102-F166 HydrophobicContact CD2-CG 3.9Å; F102-F166 HydrophobicContact CE2-CB 4.26Å; F102-F166 HydrophobicContact CG-CD1 4.46Å
103K91.1Very high89.7Confident46 Ų4654.8 Ų54.820%0.228%0.284CS..Hα-helixtrans-69.7-28.3179.9-69.9-7091.3-169.20114.2L81 L99 H100 H105 D106 N111L81-K103 HydrophobicContact CD2-CD 4.38Å; L81-K103 HydrophobicContact CG-CD 4.26Å; L99-K103 HydrophobicContact CD1-CG 4.06Å; L99-K103 HydrophobicContact CG-CG 4.35Å; L99-K103 WeakPolarHBondContact O-CB 3.42Å; L99-K103 WeakPolarHBondContact O-CG 3.41Å; L99-K103 PolarHBondContact O-N 2.95Å; H100-K103 PolarHBondContact O-N 3.13Å; K103-H105 PolarHBondContact O-N 2.78Å; K103-D106 IonicContact NZ-OD2 3.89Å; K103-D106 PolarHBondContact NZ-OD2 3.25Å; K103-N111 PolarHBondContact NZ-OD1 3.31Å
104M89.9Confident90.4Very high63 Ų6354.5 Ų54.531%0.3128%0.28SS..Hα-helixtrans-63.2-28.6178.3-174.5-162.6-63.200112.3H100 Y101 F102 Y107H100-M104 WeakPolarHBondContact NE2-CE 3.42Å; H100-M104 VanDerWaalsContact O-CB 3.31Å; H100-M104 WeakPolarHBondContact O-CB 3.33Å; H100-M104 PolarHBondContact O-N 3.43Å; Y101-M104 HydrophobicContact CD1-CE 3.97Å; Y101-M104 HydrophobicContact CE1-CE 4.08Å; F102-M104 PolarHBondContact O-N 3.43Å; M104-Y107 WeakPolarHBondContact O-CE1 3.25Å
105H92.5Very high91Very high18 Ų1850.9 Ų50.98%0.08326%0.26CS..Hα-helixtrans-107-10-174.9-61.793000114.1Y101 F102 K103 Y107 L113 E117 A121Y101-H105 PolarHBondContact O-ND1 2.87Å; F102-H105 PolarHBondContact O-N 3.41Å; K103-H105 PolarHBondContact O-N 2.78Å; H105-Y107 VanDerWaalsContact O-CD2 3.3Å; H105-Y107 WeakPolarHBondContact O-CD2 3.13Å; H105-Y107 WeakPolarHBondContact O-CE2 3.19Å; H105-Y107 PolarHBondContact O-N 3.02Å; H105-Y107 VanDerWaalsContact O-N 3.16Å; H105-L113 HydrophobicContact CB-CD2 3.97Å; H105-E117 WeakPolarHBondContact O-CB 3.18Å; H105-E117 VanDerWaalsContact O-CG 3.31Å; H105-E117 WeakPolarHBondContact O-CG 3.46Å; H105-A121 HydrophobicContact CB-CB 4.4Å; H105-A121 WeakPolarHBondContact CD2-CA 3.34Å; H105-A121 WeakPolarHBondContact CD2-CB 3.49Å; H105-A121 WeakPolarHBondContact NE2-CA 3.49Å
106D94.1Very high91.7Very high14 Ų1451.3 Ų51.38%0.07527%0.265CS..  trans-7988.2169.1175.25.7000109.3F102 K103 G109 N110 N111 L113 E117F102-D106 PolarHBondContact O-N 3.09Å; K103-D106 IonicContact NZ-OD2 3.89Å; K103-D106 PolarHBondContact NZ-OD2 3.25Å; D106-G109 WeakPolarHBondContact OD1-CA 3.31Å; D106-G109 PolarHBondContact OD1-N 3.43Å; D106-N110 PolarHBondContact OD1-N 3.17Å; D106-N110 VanDerWaalsContact OD1-N 3.15Å; D106-N111 WeakPolarHBondContact OD2-CA 3.39Å; D106-N111 PolarHBondContact OD2-N 2.93Å; D106-L113 HydrophobicContact CB-CD2 4.22Å; D106-E117 WeakPolarHBondContact CA-OE1 3.4Å
107Y91.8Very high92.4Very high145 Ų14549.7 Ų49.757%0.56926%0.258SS*.SBendtrans-81.7-23.8-172-61.5-62.6000113M104 H105 E117 T120M104-Y107 WeakPolarHBondContact O-CE1 3.25Å; H105-Y107 VanDerWaalsContact O-CD2 3.3Å; H105-Y107 WeakPolarHBondContact O-CD2 3.13Å; H105-Y107 WeakPolarHBondContact O-CE2 3.19Å; H105-Y107 PolarHBondContact O-N 3.02Å; H105-Y107 VanDerWaalsContact O-N 3.16Å; Y107-E117 HydrophobicContact CD2-CG 4.06Å; Y107-E117 PolarHBondContact N-OE1 3.3Å; Y107-T120 HydrophobicContact CE2-CG2 4.32Å; Y107-T120 WeakPolarHBondContact CE2-OG1 3.41Å
108D93.9Very high92.9Very high102 Ų10248.4 Ų48.455%0.54525%0.251SS..SBendtrans-95.2-10.7-179.9794.1000113.2N110D108-N110 VanDerWaalsContact CG-ND2 3.3Å; D108-N110 WeakPolarHBondContact OD1-CB 3.42Å; D108-N110 PolarHBondContact OD1-N 2.72Å; D108-N110 PolarHBondContact OD1-ND2 2.8Å; D108-N110 PolarHBondContact OD1-OD1 3.33Å; D108-N110 PolarHBondContact OD2-ND2 2.95Å
109G94.6Very high93.3Very high49 Ų4948.1 Ų48.151%0.50525%0.252SS..  trans76.820.617500000113.7D106 N111D106-G109 WeakPolarHBondContact OD1-CA 3.31Å; D106-G109 PolarHBondContact OD1-N 3.43Å; G109-N111 VanDerWaalsContact C-N 3.26Å; G109-N111 PolarHBondContact O-N 2.93Å
110N95.1Very high93.4Very high54 Ų5450 Ų5029%0.28927%0.265SS..SBendtrans-79.9-5.2-178.269.919.5000113.3D106 D108 L112D106-N110 PolarHBondContact OD1-N 3.17Å; D106-N110 VanDerWaalsContact OD1-N 3.15Å; D108-N110 VanDerWaalsContact CG-ND2 3.3Å; D108-N110 WeakPolarHBondContact OD1-CB 3.42Å; D108-N110 PolarHBondContact OD1-N 2.72Å; D108-N110 PolarHBondContact OD1-ND2 2.8Å; D108-N110 PolarHBondContact OD1-OD1 3.33Å; D108-N110 PolarHBondContact OD2-ND2 2.95Å; N110-L112 VanDerWaalsContact C-N 3.32Å; N110-L112 WeakPolarHBondContact OD1-CA 3.31Å; N110-L112 WeakPolarHBondContact OD1-CB 3.42Å; N110-L112 PolarHBondContact OD1-N 3.45Å; N110-L112 PolarHBondContact OD1-O 2.84Å; N110-L112 VanDerWaalsContact OD1-O 3.13Å
111N94.9Very high93.4Very high77 Ų7749.5 Ų49.541%0.41227%0.266SS..SBendtrans66.128.4-175.5-52.4-74.8000115F102 K103 D106 G109F102-N111 WeakPolarHBondContact CZ-O 3.45Å; K103-N111 PolarHBondContact NZ-OD1 3.31Å; D106-N111 WeakPolarHBondContact OD2-CA 3.39Å; D106-N111 PolarHBondContact OD2-N 2.93Å; G109-N111 VanDerWaalsContact C-N 3.26Å; G109-N111 PolarHBondContact O-N 2.93Å
112L96.8Very high93.4Very high46 Ų4646.2 Ų46.224%0.24126%0.255CS..EExtended strand (participates in β ladder)trans-132.5157.7176.7-58.5172.6000108.1N110 Y160 D162N110-L112 VanDerWaalsContact C-N 3.32Å; N110-L112 WeakPolarHBondContact OD1-CA 3.31Å; N110-L112 WeakPolarHBondContact OD1-CB 3.42Å; N110-L112 PolarHBondContact OD1-N 3.45Å; N110-L112 PolarHBondContact OD1-O 2.84Å; N110-L112 VanDerWaalsContact OD1-O 3.13Å; L112-Y160 HydrophobicContact CB-CD1 3.76Å; L112-Y160 HydrophobicContact CB-CG 4.09Å; L112-Y160 HydrophobicContact CD1-CD1 4.07Å; L112-Y160 HydrophobicContact CD1-CD2 4.37Å; L112-Y160 HydrophobicContact CD1-CG 3.94Å; L112-D162 HydrophobicContact CD2-CB 3.8Å
113L97.3Very high92.9Very high7 Ų748 Ų484%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-114.2117.1170.3-68.2176.5000109.9F102 H105 D106 E117 L118 Y160 I161F102-L113 HydrophobicContact CD2-CD1 3.53Å; F102-L113 HydrophobicContact CD2-CG 3.91Å; F102-L113 HydrophobicContact CE2-CD1 3.75Å; F102-L113 HydrophobicContact CE2-CG 3.68Å; F102-L113 HydrophobicContact CG-CD1 4.39Å; F102-L113 HydrophobicContact CZ-CG 4.28Å; H105-L113 HydrophobicContact CB-CD2 3.97Å; D106-L113 HydrophobicContact CB-CD2 4.22Å; L113-E117 WeakPolarHBondContact CA-OE2 3.21Å; L113-E117 HydrophobicContact CD2-CB 4.13Å; L113-L118 HydrophobicContact CB-CD2 4.31Å; L113-L118 HydrophobicContact CB-CG 4.46Å; L113-L118 HydrophobicContact CD1-CD2 4.36Å; L113-Y160 CarbonylContact O-C 3.59Å; L113-Y160 WeakPolarHBondContact O-CA 3.31Å; L113-I161 HydrophobicContact CB-CB 4.49Å; L113-I161 PolarHBondContact N-O 3.31Å; L113-I161 PolarHBondContact O-N 2.77Å
114D97.8Very high91.9Very high35 Ų3550.1 Ų50.119%0.18728%0.276CS..EExtended strand (participates in β ladder)trans-89.3171.2173.178.233.8000112.9L116 E117 L118 Y160D114-L116 PolarHBondContact O-N 3.3Å; D114-L116 VanDerWaalsContact OD1-CA 3.29Å; D114-L116 WeakPolarHBondContact OD1-CA 3.48Å; D114-L116 VanDerWaalsContact OD1-CB 3.25Å; D114-L116 WeakPolarHBondContact OD1-CB 3.32Å; D114-L116 PolarHBondContact OD1-N 3.44Å; D114-E117 PolarHBondContact N-OE2 3.32Å; D114-E117 PolarHBondContact O-N 2.91Å; D114-E117 PolarHBondContact OD1-N 3.33Å; D114-L118 VanDerWaalsContact O-CG 3.29Å; D114-L118 WeakPolarHBondContact O-CG 3.08Å; D114-L118 PolarHBondContact O-N 3.4Å; D114-Y160 HydrophobicContact CB-CD1 3.75Å; D114-Y160 HydrophobicContact CB-CE1 3.67Å
115G96.9Very high90.6Very high21 Ų2150.6 Ų50.622%0.21628%0.283CS..Hα-helixtrans-59.5-29.4-179.900000114.7S119G115-S119 WeakPolarHBondContact O-CB 3.35Å; G115-S119 PolarHBondContact O-N 2.86Å
116L96.4Very high89Confident132 Ų13253.9 Ų53.969%0.69130%0.298SS*.Hα-helixtrans-75.1-40.5176.2-60.5178000110.8D114 S119 T120D114-L116 PolarHBondContact O-N 3.3Å; D114-L116 VanDerWaalsContact OD1-CA 3.29Å; D114-L116 WeakPolarHBondContact OD1-CA 3.48Å; D114-L116 VanDerWaalsContact OD1-CB 3.25Å; D114-L116 WeakPolarHBondContact OD1-CB 3.32Å; D114-L116 PolarHBondContact OD1-N 3.44Å; L116-S119 WeakPolarHBondContact O-CB 3.46Å; L116-S119 PolarHBondContact O-N 2.56Å; L116-S119 VanDerWaalsContact O-N 3.16Å; L116-S119 PolarHBondContact O-OG 3.25Å; L116-T120 PolarHBondContact O-N 3.17Å; L116-T120 VanDerWaalsContact O-N 3.14Å; L116-T120 PolarHBondContact O-OG1 2.79Å; L116-T120 VanDerWaalsContact O-OG1 3.13Å
117E96.3Very high87.2Confident9 Ų959.9 Ų59.94%0.04232%0.323CS..Hα-helixtrans-64.3-41.3174.9-67.4176.8137.100111.7H105 D106 Y107 L113 D114 S119 T120 A121H105-E117 WeakPolarHBondContact O-CB 3.18Å; H105-E117 VanDerWaalsContact O-CG 3.31Å; H105-E117 WeakPolarHBondContact O-CG 3.46Å; D106-E117 WeakPolarHBondContact CA-OE1 3.4Å; Y107-E117 HydrophobicContact CD2-CG 4.06Å; Y107-E117 PolarHBondContact N-OE1 3.3Å; L113-E117 WeakPolarHBondContact CA-OE2 3.21Å; L113-E117 HydrophobicContact CD2-CB 4.13Å; D114-E117 PolarHBondContact N-OE2 3.32Å; D114-E117 PolarHBondContact O-N 2.91Å; D114-E117 PolarHBondContact OD1-N 3.33Å; E117-S119 VanDerWaalsContact C-N 3.33Å; E117-S119 PolarHBondContact O-N 3.03Å; E117-T120 VanDerWaalsContact C-OG1 3.32Å; E117-T120 WeakPolarHBondContact CA-OG1 3.18Å; E117-T120 PolarHBondContact O-N 3.28Å; E117-T120 PolarHBondContact O-OG1 3.12Å; E117-A121 PolarHBondContact O-N 3.32Å; E117-A121 VanDerWaalsContact O-N 3.09Å
118L94.6Very high85.4Confident18 Ų1860.1 Ų60.19%0.09433%0.33CS..Hα-helixtrans-61.5-40.6170.5-67.7172.7000111.6L113 D114 T120 A121 I122 I146 V149 L150 I161L113-L118 HydrophobicContact CB-CD2 4.31Å; L113-L118 HydrophobicContact CB-CG 4.46Å; L113-L118 HydrophobicContact CD1-CD2 4.36Å; D114-L118 VanDerWaalsContact O-CG 3.29Å; D114-L118 WeakPolarHBondContact O-CG 3.08Å; D114-L118 PolarHBondContact O-N 3.4Å; L118-T120 VanDerWaalsContact C-N 3.29Å; L118-T120 PolarHBondContact O-N 3.15Å; L118-A121 WeakPolarHBondContact O-CB 3.45Å; L118-A121 PolarHBondContact O-N 3.01Å; L118-A121 VanDerWaalsContact O-N 3.17Å; L118-I122 WeakPolarHBondContact O-CD1 3.25Å; L118-I122 VanDerWaalsContact O-CG1 3.3Å; L118-I122 WeakPolarHBondContact O-CG1 3.4Å; L118-I122 PolarHBondContact O-N 2.94Å; L118-I146 HydrophobicContact CB-CG1 4.48Å; L118-V149 HydrophobicContact CD1-CG1 3.91Å; L118-V149 HydrophobicContact CD2-CG1 4.33Å; L118-L150 HydrophobicContact CD1-CD2 4.05Å; L118-L150 HydrophobicContact CD1-CG 4.31Å; L118-I161 HydrophobicContact CD1-CD1 4.15Å
119S93Very high83.5Confident25 Ų2562.8 Ų62.818%0.17534%0.339CS..Hα-helixtrans-60.2-40.7179.983.80000112.5G115 L116 E117 T123G115-S119 WeakPolarHBondContact O-CB 3.35Å; G115-S119 PolarHBondContact O-N 2.86Å; L116-S119 WeakPolarHBondContact O-CB 3.46Å; L116-S119 PolarHBondContact O-N 2.56Å; L116-S119 VanDerWaalsContact O-N 3.16Å; L116-S119 PolarHBondContact O-OG 3.25Å; E117-S119 VanDerWaalsContact C-N 3.33Å; E117-S119 PolarHBondContact O-N 3.03Å; S119-T123 WeakPolarHBondContact O-CB 3.29Å; S119-T123 PolarHBondContact O-N 3.17Å; S119-T123 VanDerWaalsContact O-N 3.1Å; S119-T123 PolarHBondContact O-OG1 2.97Å
120T89.6Confident81.1Confident55 Ų5561.5 Ų61.534%0.33733%0.325SS..Hα-helixtrans-69.3-39.3176.535.90000111.7Y107 L116 E117 L118 T123 H124Y107-T120 HydrophobicContact CE2-CG2 4.32Å; Y107-T120 WeakPolarHBondContact CE2-OG1 3.41Å; L116-T120 PolarHBondContact O-N 3.17Å; L116-T120 VanDerWaalsContact O-N 3.14Å; L116-T120 PolarHBondContact O-OG1 2.79Å; L116-T120 VanDerWaalsContact O-OG1 3.13Å; E117-T120 VanDerWaalsContact C-OG1 3.32Å; E117-T120 WeakPolarHBondContact CA-OG1 3.18Å; E117-T120 PolarHBondContact O-N 3.28Å; E117-T120 PolarHBondContact O-OG1 3.12Å; L118-T120 VanDerWaalsContact C-N 3.29Å; L118-T120 PolarHBondContact O-N 3.15Å; T120-T123 PolarHBondContact O-N 2.9Å; T120-H124 VanDerWaalsContact O-CB 3.31Å; T120-H124 WeakPolarHBondContact O-CB 3.35Å; T120-H124 PolarHBondContact O-N 3.34Å
121A87.1Confident78.9Confident21 Ų2163.7 Ų63.717%0.17435%0.345CS..Hα-helixtrans-61.9-49.317700000112.1H105 E117 L118 T123 H124 V125H105-A121 HydrophobicContact CB-CB 4.4Å; H105-A121 WeakPolarHBondContact CD2-CA 3.34Å; H105-A121 WeakPolarHBondContact CD2-CB 3.49Å; H105-A121 WeakPolarHBondContact NE2-CA 3.49Å; E117-A121 PolarHBondContact O-N 3.32Å; E117-A121 VanDerWaalsContact O-N 3.09Å; L118-A121 WeakPolarHBondContact O-CB 3.45Å; L118-A121 PolarHBondContact O-N 3.01Å; L118-A121 VanDerWaalsContact O-N 3.17Å; A121-T123 PolarHBondContact O-N 3.43Å; A121-H124 WeakPolarHBondContact O-CB 3.31Å; A121-H124 PolarHBondContact O-N 3.42Å; A121-V125 PolarHBondContact O-N 2.94Å
122I85.9Confident76.9Confident30 Ų3069.8 Ų69.815%0.15437%0.371CS..Hα-helixtrans-62.9-43.9-179.5-66.4160.1000110.8L118 H124 H126 M137 L142 I145 I146L118-I122 WeakPolarHBondContact O-CD1 3.25Å; L118-I122 VanDerWaalsContact O-CG1 3.3Å; L118-I122 WeakPolarHBondContact O-CG1 3.4Å; L118-I122 PolarHBondContact O-N 2.94Å; I122-H124 VanDerWaalsContact C-N 3.31Å; I122-H124 PolarHBondContact O-N 2.94Å; I122-H126 PolarHBondContact O-N 3.23Å; I122-M137 HydrophobicContact CG2-CE 3.41Å; I122-M137 VanDerWaalsContact CG2-CE 3.41Å; I122-M137 HydrophobicContact CG2-SD 3.96Å; I122-L142 HydrophobicContact CB-CD1 4.01Å; I122-L142 HydrophobicContact CD1-CD1 4.17Å; I122-L142 HydrophobicContact CG2-CD1 3.79Å; I122-I145 HydrophobicContact CD1-CB 4.36Å; I122-I145 HydrophobicContact CD1-CG2 3.59Å; I122-I145 HydrophobicContact CG1-CG2 4.32Å; I122-I145 HydrophobicContact CG2-CD1 4.41Å; I122-I146 HydrophobicContact CD1-CG1 3.84Å
123T80.7Confident74.6Confident41 Ų4176.1 Ų76.125%0.25240%0.399SS..Hα-helixtrans-69.6-29.9180-530000112.1S119 T120 A121 K127 L136S119-T123 WeakPolarHBondContact O-CB 3.29Å; S119-T123 PolarHBondContact O-N 3.17Å; S119-T123 VanDerWaalsContact O-N 3.1Å; S119-T123 PolarHBondContact O-OG1 2.97Å; T120-T123 PolarHBondContact O-N 2.9Å; A121-T123 PolarHBondContact O-N 3.43Å; T123-K127 HydrophobicContact CG2-CD 4.43Å; T123-K127 WeakPolarHBondContact O-CG 3.29Å; T123-K127 PolarHBondContact O-N 2.87Å; T123-L136 HydrophobicContact CG2-CD2 4.46Å
124H71.1Confident72.4Confident90 Ų9078.2 Ų78.242%0.41742%0.418SS..Hα-helixtrans-64.9-50.5176.4-168.668.9000111.2T120 A121 I122 H126 K127 E128T120-H124 VanDerWaalsContact O-CB 3.31Å; T120-H124 WeakPolarHBondContact O-CB 3.35Å; T120-H124 PolarHBondContact O-N 3.34Å; A121-H124 WeakPolarHBondContact O-CB 3.31Å; A121-H124 PolarHBondContact O-N 3.42Å; I122-H124 VanDerWaalsContact C-N 3.31Å; I122-H124 PolarHBondContact O-N 2.94Å; H124-H126 VanDerWaalsContact C-N 3.3Å; H124-H126 PolarHBondContact O-N 3.16Å; H124-K127 PolarHBondContact O-N 3.46Å; H124-K127 VanDerWaalsContact O-N 3.11Å; H124-E128 IonicContact NE2-OE1 3.91Å; H124-E128 PolarHBondContact O-N 3.1Å
125V63Low70.5Confident73 Ų7382.4 Ų82.444%0.44245%0.447SS..Hα-helixtrans-57.2-43177.9175.80000111.5A121 K127 E128 E129A121-V125 PolarHBondContact O-N 2.94Å; V125-K127 VanDerWaalsContact C-N 3.26Å; V125-K127 PolarHBondContact O-N 3.02Å; V125-E128 PolarHBondContact O-N 2.89Å; V125-E129 PolarHBondContact O-N 2.75Å
126H58Low69.1Low87 Ų8787.3 Ų87.340%0.40347%0.467SS..Hα-helixtrans-65.8-24.8-179.7-85.127.1000114.8I122 H124 M137I122-H126 PolarHBondContact O-N 3.23Å; H124-H126 VanDerWaalsContact C-N 3.3Å; H124-H126 PolarHBondContact O-N 3.16Å; H126-M137 WeakPolarHBondContact CD2-CE 3.32Å; H126-M137 WeakPolarHBondContact NE2-CE 3.45Å
127K57.2Low68.4Low140 Ų14082.4 Ų82.461%0.60944%0.441SS*.Hα-helixtrans-81.5-23.6176.4-70.6173.3110.2176.50112.6T123 H124 V125 L136T123-K127 HydrophobicContact CG2-CD 4.43Å; T123-K127 WeakPolarHBondContact O-CG 3.29Å; T123-K127 PolarHBondContact O-N 2.87Å; H124-K127 PolarHBondContact O-N 3.46Å; H124-K127 VanDerWaalsContact O-N 3.11Å; V125-K127 VanDerWaalsContact C-N 3.26Å; V125-K127 PolarHBondContact O-N 3.02Å; K127-L136 HydrophobicContact CG-CD2 4.39Å
128E54.1Low68.1Low151 Ų15184.9 Ų84.971%0.70646%0.459SS*.Hα-helixtrans-83.8-31.6178.1-59.3-140.2150.800112.4H124 V125H124-E128 IonicContact NE2-OE1 3.91Å; H124-E128 PolarHBondContact O-N 3.1Å; V125-E128 PolarHBondContact O-N 2.89Å
129E53Low67.9Low158 Ų15891.6 Ų91.674%0.73849%0.491SS*.Hα-helixtrans-82.8-21.8-179.8-65.9-172.7178.800113.9V125V125-E129 PolarHBondContact O-N 2.75Å
130G45.4Very low67.9Low21 Ų2196 Ų9622%0.21651%0.512CS..SBendtrans-98.3130176.200000111.7
131S48.1Very low68Low100 Ų10098 Ų9870%0.69952%0.518SS*.  trans-47.3152.1158.5560000109.5Q133 A134S131-Q133 PolarHBondContact O-N 2.9Å; S131-A134 PolarHBondContact O-N 2.91Å
132E53.6Low68.3Low206 Ų20698.5 Ų98.596%0.96352%0.517SS*.THydrogen-bonded Turntrans-55.713.6-167.9-55.3-155.2160.800117.7
133Q47.1Very low68.7Low179 Ų179101 Ų10184%0.83653%0.53SS*.THydrogen-bonded Turntrans-128.97.7-180-57.7-173.9-13.900113.7S131S131-Q133 PolarHBondContact O-N 2.9Å
134A52.6Low69.4Low51 Ų51104.3 Ų104.342%0.42155%0.546SS..PPolyproline II helixtrans-64.4127.4171.400000109.5S131 L136S131-A134 PolarHBondContact O-N 2.91Å; A134-L136 PolarHBondContact O-N 3.11Å
135P56.8Low70.6Confident122 Ų122102.9 Ų102.979%0.79254%0.541SS*.PPolyproline II helixtrans-56129.4173.4-22.633.1000109.3M137P135-M137 PolarHBondContact O-N 2.92Å
136L68.2Low72.1Confident125 Ų125100.3 Ų100.365%0.65453%0.525SS*.PPolyproline II helixtrans-53.2135.3166.4-64.8171.2000107.6T123 K127 A134T123-L136 HydrophobicContact CG2-CD2 4.46Å; K127-L136 HydrophobicContact CG-CD2 4.39Å; A134-L136 PolarHBondContact O-N 3.11Å
137M81.6Confident74Confident28 Ų28100.2 Ų100.214%0.13853%0.527CS..PPolyproline II helixtrans-51.9149.6172.663.7169.36700109.8I122 H126 P135 L142 I145I122-M137 HydrophobicContact CG2-CE 3.41Å; I122-M137 VanDerWaalsContact CG2-CE 3.41Å; I122-M137 HydrophobicContact CG2-SD 3.96Å; H126-M137 WeakPolarHBondContact CD2-CE 3.32Å; H126-M137 WeakPolarHBondContact NE2-CE 3.45Å; P135-M137 PolarHBondContact O-N 2.92Å; M137-L142 HydrophobicContact CG-CB 4.31Å; M137-L142 HydrophobicContact SD-CB 3.63Å; M137-L142 HydrophobicContact SD-CD1 3.65Å; M137-L142 HydrophobicContact SD-CG 4.18Å; M137-I145 HydrophobicContact CE-CD1 4.04Å; M137-I145 HydrophobicContact SD-CD1 4.12Å
138S89.8Confident75.9Confident61 Ų6194 Ų9443%0.42750%0.503SS..PPolyproline II helixtrans-65.8152.2177.567.40000111D140 E141 L142S138-D140 PolarHBondContact O-N 3.04Å; S138-E141 WeakPolarHBondContact O-CB 3.3Å; S138-E141 PolarHBondContact O-N 3.26Å; S138-E141 VanDerWaalsContact O-N 3.11Å; S138-E141 VanDerWaalsContact OG-CB 3.28Å; S138-E141 WeakPolarHBondContact OG-CB 3.35Å; S138-E141 PolarHBondContact OG-N 3.01Å; S138-L142 PolarHBondContact O-N 3.1Å
139E89.6Confident77.8Confident160 Ų16088.9 Ų88.975%0.74848%0.482SS*.Hα-helixtrans-57.8-39176-68.1178.3178.400111.5E141 L142 I143E139-E141 VanDerWaalsContact C-N 3.33Å; E139-E141 PolarHBondContact O-N 3.23Å; E139-L142 PolarHBondContact O-N 3.39Å; E139-I143 WeakPolarHBondContact O-CB 3.08Å; E139-I143 WeakPolarHBondContact O-CD1 3.43Å; E139-I143 VanDerWaalsContact O-CG1 3.26Å; E139-I143 WeakPolarHBondContact O-CG1 3.33Å; E139-I143 PolarHBondContact O-N 3.48Å
140D93.6Very high79.9Confident117 Ų11782.9 Ų82.963%0.62646%0.455SS*.Hα-helixtrans-62.3-40.6176.9-65.5-35.3000111.8S138 N144S138-D140 PolarHBondContact O-N 3.04Å; D140-N144 WeakPolarHBondContact O-CB 3.42Å; D140-N144 VanDerWaalsContact O-CG 3.26Å; D140-N144 PolarHBondContact O-N 2.8Å; D140-N144 PolarHBondContact O-ND2 3.24Å
141E92.5Very high82.4Confident98 Ų9889.8 Ų89.846%0.45847%0.474SS..Hα-helixtrans-66.3-43.7176.4-177172.9-161.500111.4S138 E139 I143 N144 I145S138-E141 WeakPolarHBondContact O-CB 3.3Å; S138-E141 PolarHBondContact O-N 3.26Å; S138-E141 VanDerWaalsContact O-N 3.11Å; S138-E141 VanDerWaalsContact OG-CB 3.28Å; S138-E141 WeakPolarHBondContact OG-CB 3.35Å; S138-E141 PolarHBondContact OG-N 3.01Å; E139-E141 VanDerWaalsContact C-N 3.33Å; E139-E141 PolarHBondContact O-N 3.23Å; E141-I143 PolarHBondContact O-N 2.85Å; E141-N144 PolarHBondContact O-N 2.89Å; E141-I145 HydrophobicContact CG-CD1 4.28Å; E141-I145 WeakPolarHBondContact O-CG1 3.39Å; E141-I145 PolarHBondContact O-N 3.16Å
142L92.3Very high84.7Confident30 Ų3089.2 Ų89.216%0.15746%0.463CS..Hα-helixtrans-59.3-46.6175.4-178.958.7000111.7I122 M137 S138 E139 N144 I145 I146I122-L142 HydrophobicContact CB-CD1 4.01Å; I122-L142 HydrophobicContact CD1-CD1 4.17Å; I122-L142 HydrophobicContact CG2-CD1 3.79Å; M137-L142 HydrophobicContact CG-CB 4.31Å; M137-L142 HydrophobicContact SD-CB 3.63Å; M137-L142 HydrophobicContact SD-CD1 3.65Å; M137-L142 HydrophobicContact SD-CG 4.18Å; S138-L142 PolarHBondContact O-N 3.1Å; E139-L142 PolarHBondContact O-N 3.39Å; L142-N144 VanDerWaalsContact C-N 3.34Å; L142-N144 PolarHBondContact O-N 3.45Å; L142-I145 PolarHBondContact O-N 3.49Å; L142-I146 HydrophobicContact CD1-CD1 3.95Å; L142-I146 HydrophobicContact CD1-CG1 4.35Å; L142-I146 HydrophobicContact CG-CD1 3.83Å; L142-I146 VanDerWaalsContact O-CG1 3.31Å; L142-I146 WeakPolarHBondContact O-CG1 3.12Å; L142-I146 PolarHBondContact O-N 2.99Å
143I94.8Very high86.8Confident83 Ų8380.9 Ų80.943%0.42643%0.425SS..Hα-helixtrans-58.9-46.3176.1-70.8160.6000110.3E139 E141 I145 I146 D147E139-I143 WeakPolarHBondContact O-CB 3.08Å; E139-I143 WeakPolarHBondContact O-CD1 3.43Å; E139-I143 VanDerWaalsContact O-CG1 3.26Å; E139-I143 WeakPolarHBondContact O-CG1 3.33Å; E139-I143 PolarHBondContact O-N 3.48Å; E141-I143 PolarHBondContact O-N 2.85Å; I143-I145 VanDerWaalsContact C-N 3.29Å; I143-I145 PolarHBondContact O-N 2.59Å; I143-I146 PolarHBondContact O-N 3.47Å; I143-D147 WeakPolarHBondContact O-CB 3.22Å; I143-D147 PolarHBondContact O-N 2.97Å
144N96.2Very high89.2Confident110 Ų11072.8 Ų72.859%0.58839%0.388SS*.Hα-helixtrans-62.2-35.3179.5-75.4-54000112.9D140 E141 L142 G148D140-N144 WeakPolarHBondContact O-CB 3.42Å; D140-N144 VanDerWaalsContact O-CG 3.26Å; D140-N144 PolarHBondContact O-N 2.8Å; D140-N144 PolarHBondContact O-ND2 3.24Å; E141-N144 PolarHBondContact O-N 2.89Å; L142-N144 VanDerWaalsContact C-N 3.34Å; L142-N144 PolarHBondContact O-N 3.45Å; N144-G148 PolarHBondContact O-N 3.17Å
145I94.5Very high91.3Very high61 Ų6176.7 Ų76.731%0.31340%0.395SS..Hα-helixtrans-68.2-48.5175.2-64.6165000110I122 M137 E141 L142 I143 G148 V149I122-I145 HydrophobicContact CD1-CB 4.36Å; I122-I145 HydrophobicContact CD1-CG2 3.59Å; I122-I145 HydrophobicContact CG1-CG2 4.32Å; I122-I145 HydrophobicContact CG2-CD1 4.41Å; M137-I145 HydrophobicContact CE-CD1 4.04Å; M137-I145 HydrophobicContact SD-CD1 4.12Å; E141-I145 HydrophobicContact CG-CD1 4.28Å; E141-I145 WeakPolarHBondContact O-CG1 3.39Å; E141-I145 PolarHBondContact O-N 3.16Å; L142-I145 PolarHBondContact O-N 3.49Å; I143-I145 VanDerWaalsContact C-N 3.29Å; I143-I145 PolarHBondContact O-N 2.59Å; I145-G148 WeakPolarHBondContact O-CA 3.34Å; I145-G148 PolarHBondContact O-N 3.09Å; I145-G148 VanDerWaalsContact O-N 3.08Å; I145-V149 WeakPolarHBondContact O-CG2 3.13Å; I145-V149 PolarHBondContact O-N 3.16Å
146I95.6Very high93.2Very high19 Ų1975 Ų7510%0.09738%0.38CS..Hα-helixtrans-61.8-48.3-180-65.6162.7000110.8L118 I122 L142 I143 G148 V149 L150L118-I146 HydrophobicContact CB-CG1 4.48Å; I122-I146 HydrophobicContact CD1-CG1 3.84Å; L142-I146 HydrophobicContact CD1-CD1 3.95Å; L142-I146 HydrophobicContact CD1-CG1 4.35Å; L142-I146 HydrophobicContact CG-CD1 3.83Å; L142-I146 VanDerWaalsContact O-CG1 3.31Å; L142-I146 WeakPolarHBondContact O-CG1 3.12Å; L142-I146 PolarHBondContact O-N 2.99Å; I143-I146 PolarHBondContact O-N 3.47Å; I146-G148 PolarHBondContact O-N 3.13Å; I146-V149 PolarHBondContact O-N 3.14Å; I146-V149 VanDerWaalsContact O-N 3.16Å; I146-L150 HydrophobicContact CG2-CD1 3.99Å; I146-L150 HydrophobicContact CG2-CG 4.41Å; I146-L150 PolarHBondContact O-N 3.36Å
147D96.9Very high94.6Very high84 Ų8475.6 Ų75.645%0.44938%0.383SS..Hα-helixtrans-59.7-31.6175.1-76.3-6.8000111.5I143 R151I143-D147 WeakPolarHBondContact O-CB 3.22Å; I143-D147 PolarHBondContact O-N 2.97Å; D147-R151 WeakPolarHBondContact O-CB 3.44Å; D147-R151 PolarHBondContact O-N 2.66Å; D147-R151 VanDerWaalsContact O-N 3.1Å; D147-R151 PolarHBondContact O-NH1 3.24Å
148G96.8Very high95.4Very high11 Ų1177.8 Ų77.811%0.11340%0.396CS..Hα-helixtrans-63.7-55172.600000112.5N144 I145 I146 R151 D152N144-G148 PolarHBondContact O-N 3.17Å; I145-G148 WeakPolarHBondContact O-CA 3.34Å; I145-G148 PolarHBondContact O-N 3.09Å; I145-G148 VanDerWaalsContact O-N 3.08Å; I146-G148 PolarHBondContact O-N 3.13Å; G148-R151 PolarHBondContact O-N 3.25Å; G148-D152 WeakPolarHBondContact O-CB 3.37Å; G148-D152 PolarHBondContact O-N 2.94Å
149V95.9Very high95.8Very high42 Ų4276.6 Ų76.626%0.25539%0.393SS..Hα-helixtrans-58.6-51.5179.5169.20000110.8L118 I145 I146 R151 D152 D153 I161L118-V149 HydrophobicContact CD1-CG1 3.91Å; L118-V149 HydrophobicContact CD2-CG1 4.33Å; I145-V149 WeakPolarHBondContact O-CG2 3.13Å; I145-V149 PolarHBondContact O-N 3.16Å; I146-V149 PolarHBondContact O-N 3.14Å; I146-V149 VanDerWaalsContact O-N 3.16Å; V149-R151 PolarHBondContact O-N 3.45Å; V149-D152 PolarHBondContact O-N 3.16Å; V149-D153 WeakPolarHBondContact O-CB 3.37Å; V149-D153 PolarHBondContact O-N 3.08Å; V149-I161 HydrophobicContact CG1-CD1 3.4Å
150L97.1Very high96.2Very high32 Ų3273 Ų7317%0.16837%0.373CS..Hα-helixtrans-61.5-46.5179.4-68.9174.9000111.5L118 I146 D152 D153 D154 I161L118-L150 HydrophobicContact CD1-CD2 4.05Å; L118-L150 HydrophobicContact CD1-CG 4.31Å; I146-L150 HydrophobicContact CG2-CD1 3.99Å; I146-L150 HydrophobicContact CG2-CG 4.41Å; I146-L150 PolarHBondContact O-N 3.36Å; L150-D152 PolarHBondContact O-N 3.32Å; L150-D153 PolarHBondContact O-N 3.39Å; L150-D154 HydrophobicContact CD2-CB 4.43Å; L150-D154 WeakPolarHBondContact O-CB 3.49Å; L150-D154 PolarHBondContact O-N 2.81Å; L150-I161 HydrophobicContact CD2-CD1 4.15Å; L150-I161 HydrophobicContact CD2-CG1 4.04Å
151R97.8Very high96.3Very high167 Ų16767.5 Ų67.563%0.6334%0.344SS*.Hα-helixtrans-59.7-38.2178.6178.8-173.362.5-109.5-1112.6D147 G148 V149D147-R151 WeakPolarHBondContact O-CB 3.44Å; D147-R151 PolarHBondContact O-N 2.66Å; D147-R151 VanDerWaalsContact O-N 3.1Å; D147-R151 PolarHBondContact O-NH1 3.24Å; G148-R151 PolarHBondContact O-N 3.25Å; V149-R151 PolarHBondContact O-N 3.45Å
152D96.5Very high96.5Very high88 Ų8865.3 Ų65.347%0.47134%0.335SS..Hα-helixtrans-86.6-28.6-172.1-63.8-10.4000111.5G148 V149 L150 K155G148-D152 WeakPolarHBondContact O-CB 3.37Å; G148-D152 PolarHBondContact O-N 2.94Å; V149-D152 PolarHBondContact O-N 3.16Å; L150-D152 PolarHBondContact O-N 3.32Å; D152-K155 PolarHBondContact O-NZ 3.23Å
153D96.3Very high96.6Very high30 Ų3066.4 Ų66.416%0.1634%0.337CS..Hα-helixtrans-116-32.3-170.6-64.6-28.6000115.3V149 L150 K155 I161 S169V149-D153 WeakPolarHBondContact O-CB 3.37Å; V149-D153 PolarHBondContact O-N 3.08Å; L150-D153 PolarHBondContact O-N 3.39Å; D153-K155 WeakPolarHBondContact O-CG 3.46Å; D153-K155 PolarHBondContact O-N 2.9Å; D153-I161 HydrophobicContact CB-CD1 3.87Å; D153-I161 HydrophobicContact CB-CG1 4.45Å; D153-S169 WeakPolarHBondContact OD1-CB 3.48Å; D153-S169 WeakPolarHBondContact OD2-CB 3.38Å; D153-S169 PolarHBondContact OD2-OG 3.02Å
154D97.4Very high96.5Very high9 Ų964.9 Ų64.95%0.04834%0.337CS..  trans-71.697.6174.5172.64.3000109L150 N156 N157 D158 G159 Y160 I161L150-D154 HydrophobicContact CD2-CB 4.43Å; L150-D154 WeakPolarHBondContact O-CB 3.49Å; L150-D154 PolarHBondContact O-N 2.81Å; D154-N156 PolarHBondContact OD1-N 2.97Å; D154-N156 PolarHBondContact OD1-OD1 3.24Å; D154-N157 WeakPolarHBondContact OD1-CA 3.36Å; D154-N157 PolarHBondContact OD1-N 2.89Å; D154-N157 WeakPolarHBondContact OD2-CA 3.45Å; D154-D158 PolarHBondContact OD1-N 3.46Å; D154-D158 PolarHBondContact OD2-N 3.1Å; D154-G159 WeakPolarHBondContact OD2-CA 3.49Å; D154-G159 PolarHBondContact OD2-N 3.29Å; D154-Y160 WeakPolarHBondContact CB-O 3.31Å; D154-I161 HydrophobicContact CB-CG1 4.46Å
155K97.4Very high96.5Very high133 Ų13360.1 Ų60.158%0.57831%0.311SS*.SBendtrans-84.9-24.1-173.5-57.7-49.7180-1770112.5D152 D153 E165D152-K155 PolarHBondContact O-NZ 3.23Å; D153-K155 WeakPolarHBondContact O-CG 3.46Å; D153-K155 PolarHBondContact O-N 2.9Å; K155-E165 WeakPolarHBondContact CB-OE1 3.48Å; K155-E165 HydrophobicContact CG-CG 4.26Å; K155-E165 PolarHBondContact N-OE1 2.99Å
156N96.9Very high96.4Very high88 Ų8859.1 Ų59.147%0.47131%0.305SS..SBendtrans-97.2-7.9-176.27512.4000112.1D154 D158D154-N156 PolarHBondContact OD1-N 2.97Å; D154-N156 PolarHBondContact OD1-OD1 3.24Å; N156-D158 VanDerWaalsContact C-N 3.34Å; N156-D158 PolarHBondContact ND2-OD2 3.33Å; N156-D158 VanDerWaalsContact OD1-CB 3.29Å; N156-D158 WeakPolarHBondContact OD1-CB 3.32Å; N156-D158 PolarHBondContact OD1-N 3.5Å; N156-D158 PolarHBondContact OD1-OD1 3.01Å; N156-D158 VanDerWaalsContact OD1-OD1 3.14Å; N156-D158 PolarHBondContact OD1-OD2 3.48Å
157N97.6Very high96Very high136 Ų13658.9 Ų58.973%0.72731%0.306SS*.  trans57.438.7-178.2-82.4112.9000113.9D154D154-N157 WeakPolarHBondContact OD1-CA 3.36Å; D154-N157 PolarHBondContact OD1-N 2.89Å; D154-N157 WeakPolarHBondContact OD2-CA 3.45Å
158D97.9Very high95.7Very high75 Ų7561.1 Ų61.140%0.40131%0.312SS..SBendtrans-89.5-5.7175.570.611.5000113.7D154 N156 Y160D154-D158 PolarHBondContact OD1-N 3.46Å; D154-D158 PolarHBondContact OD2-N 3.1Å; N156-D158 VanDerWaalsContact C-N 3.34Å; N156-D158 PolarHBondContact ND2-OD2 3.33Å; N156-D158 VanDerWaalsContact OD1-CB 3.29Å; N156-D158 WeakPolarHBondContact OD1-CB 3.32Å; N156-D158 PolarHBondContact OD1-N 3.5Å; N156-D158 PolarHBondContact OD1-OD1 3.01Å; N156-D158 VanDerWaalsContact OD1-OD1 3.14Å; N156-D158 PolarHBondContact OD1-OD2 3.48Å; D158-Y160 HydrophobicContact CB-CD2 4.47Å; D158-Y160 WeakPolarHBondContact O-CD2 3.26Å; D158-Y160 WeakPolarHBondContact OD1-CA 3.42Å; D158-Y160 VanDerWaalsContact OD1-CB 3.28Å; D158-Y160 WeakPolarHBondContact OD1-CB 3.3Å; D158-Y160 PolarHBondContact OD1-N 3.45Å
159G97.7Very high95.2Very high35 Ų3562.8 Ų62.836%0.36132%0.321SS..SBendtrans87.19.6-17900000113.8D154D154-G159 WeakPolarHBondContact OD2-CA 3.49Å; D154-G159 PolarHBondContact OD2-N 3.29Å
160Y97.9Very high94.4Very high85 Ų8566 Ų6633%0.33334%0.337SS..EExtended strand (participates in β ladder)trans-126.8164.7178.6-60.5-89.8000111.1L112 L113 D114 D154 D158L112-Y160 HydrophobicContact CB-CD1 3.76Å; L112-Y160 HydrophobicContact CB-CG 4.09Å; L112-Y160 HydrophobicContact CD1-CD1 4.07Å; L112-Y160 HydrophobicContact CD1-CD2 4.37Å; L112-Y160 HydrophobicContact CD1-CG 3.94Å; L113-Y160 CarbonylContact O-C 3.59Å; L113-Y160 WeakPolarHBondContact O-CA 3.31Å; D114-Y160 HydrophobicContact CB-CD1 3.75Å; D114-Y160 HydrophobicContact CB-CE1 3.67Å; D154-Y160 WeakPolarHBondContact CB-O 3.31Å; D158-Y160 HydrophobicContact CB-CD2 4.47Å; D158-Y160 WeakPolarHBondContact O-CD2 3.26Å; D158-Y160 WeakPolarHBondContact OD1-CA 3.42Å; D158-Y160 VanDerWaalsContact OD1-CB 3.28Å; D158-Y160 WeakPolarHBondContact OD1-CB 3.3Å; D158-Y160 PolarHBondContact OD1-N 3.45Å
161I97.4Very high92.9Very high2 Ų274.8 Ų74.81%0.0138%0.377CS..EExtended strand (participates in β ladder)trans-119.1117.2169.6-64.1178.6000108.5L113 L118 V149 L150 D153 D154 E165 F166L113-I161 HydrophobicContact CB-CB 4.49Å; L113-I161 PolarHBondContact N-O 3.31Å; L113-I161 PolarHBondContact O-N 2.77Å; L118-I161 HydrophobicContact CD1-CD1 4.15Å; V149-I161 HydrophobicContact CG1-CD1 3.4Å; L150-I161 HydrophobicContact CD2-CD1 4.15Å; L150-I161 HydrophobicContact CD2-CG1 4.04Å; D153-I161 HydrophobicContact CB-CD1 3.87Å; D153-I161 HydrophobicContact CB-CG1 4.45Å; D154-I161 HydrophobicContact CB-CG1 4.46Å; I161-E165 HydrophobicContact CG2-CB 3.84Å; I161-F166 HydrophobicContact CG2-CB 3.87Å
162D96.3Very high92.6Very high51 Ų5170.2 Ų70.227%0.27336%0.364SS..EExtended strand (participates in β ladder)trans-79.7168.1172.378.139.1000112.2L112 A164 E165 F166L112-D162 HydrophobicContact CD2-CB 3.8Å; D162-A164 VanDerWaalsContact C-N 3.25Å; D162-A164 PolarHBondContact O-N 3.36Å; D162-A164 VanDerWaalsContact OD1-CA 3.3Å; D162-A164 WeakPolarHBondContact OD1-CA 3.49Å; D162-A164 VanDerWaalsContact OD1-CB 3.29Å; D162-A164 WeakPolarHBondContact OD1-CB 3.34Å; D162-A164 PolarHBondContact OD1-N 3.26Å; D162-E165 PolarHBondContact N-OE2 3.29Å; D162-E165 PolarHBondContact O-N 2.75Å; D162-E165 PolarHBondContact OD1-N 3Å; D162-F166 WeakPolarHBondContact O-CB 3.36Å; D162-F166 PolarHBondContact O-N 3.17Å
163Y93.8Very high92.4Very high53 Ų5369.2 Ų69.221%0.20836%0.358CS..Hα-helixtrans-61.4-31.9-178.7-178.6-104.7000113.4I77 Q98 L99 F102 F166 A167I77-Y163 HydrophobicContact CD1-CE1 4.39Å; I77-Y163 HydrophobicContact CG2-CE1 4.23Å; Q98-Y163 HydrophobicContact CG-CE2 4.25Å; Q98-Y163 PolarHBondContact OE1-OH 3.38Å; L99-Y163 HydrophobicContact CB-CE2 4.09Å; L99-Y163 HydrophobicContact CD1-CD2 4.06Å; L99-Y163 HydrophobicContact CD1-CE2 3.84Å; F102-Y163 HydrophobicContact CB-CD2 4.31Å; F102-Y163 HydrophobicContact CD1-CD2 4.2Å; F102-Y163 HydrophobicContact CD2-CD2 4.34Å; F102-Y163 HydrophobicContact CG-CD2 4.03Å; Y163-F166 HydrophobicContact CD2-CD1 4.48Å; Y163-A167 HydrophobicContact CE1-CB 4.47Å; Y163-A167 WeakPolarHBondContact O-CB 3.39Å; Y163-A167 PolarHBondContact O-N 3.22Å
164A93.6Very high92.2Very high51 Ų5171.4 Ų71.442%0.42137%0.369SS..Hα-helixtrans-74.3-33.317900000111.9D162 K168D162-A164 VanDerWaalsContact C-N 3.25Å; D162-A164 PolarHBondContact O-N 3.36Å; D162-A164 VanDerWaalsContact OD1-CA 3.3Å; D162-A164 WeakPolarHBondContact OD1-CA 3.49Å; D162-A164 VanDerWaalsContact OD1-CB 3.29Å; D162-A164 WeakPolarHBondContact OD1-CB 3.34Å; D162-A164 PolarHBondContact OD1-N 3.26Å; A164-K168 WeakPolarHBondContact O-CD 3.04Å; A164-K168 VanDerWaalsContact O-CG 3.23Å; A164-K168 WeakPolarHBondContact O-CG 3.28Å; A164-K168 PolarHBondContact O-N 3.11Å
165E94.6Very high91.9Very high11 Ų1175.1 Ų75.15%0.05139%0.388CS..Hα-helixtrans-67.8-50.5171-69.3173.5144.700110.8K155 I161 D162 A167 K168 S169K155-E165 WeakPolarHBondContact CB-OE1 3.48Å; K155-E165 HydrophobicContact CG-CG 4.26Å; K155-E165 PolarHBondContact N-OE1 2.99Å; I161-E165 HydrophobicContact CG2-CB 3.84Å; D162-E165 PolarHBondContact N-OE2 3.29Å; D162-E165 PolarHBondContact O-N 2.75Å; D162-E165 PolarHBondContact OD1-N 3Å; E165-A167 VanDerWaalsContact C-N 3.29Å; E165-A167 PolarHBondContact O-N 3.23Å; E165-K168 PolarHBondContact O-N 3.11Å; E165-K168 VanDerWaalsContact O-N 3.15Å; E165-S169 PolarHBondContact O-N 3.26Å
166F92.1Very high91.6Very high39 Ų3971.4 Ų71.417%0.17138%0.376CS..Hα-helixtrans-56.7-41.6173.9-178.3-106.1000112.3Q98 F102 I161 D162 Y163 K168 S169 L170Q98-F166 HydrophobicContact CG-CD1 3.92Å; Q98-F166 HydrophobicContact CG-CE1 3.52Å; Q98-F166 WeakPolarHBondContact O-CE1 2.94Å; F102-F166 HydrophobicContact CB-CD1 4.19Å; F102-F166 HydrophobicContact CB-CE1 4.07Å; F102-F166 HydrophobicContact CD2-CB 4.04Å; F102-F166 AromaticContact CD2-CD1 3.93Å; F102-F166 HydrophobicContact CD2-CD1 3.93Å; F102-F166 HydrophobicContact CD2-CD2 4.46Å; F102-F166 HydrophobicContact CD2-CE1 4.5Å; F102-F166 AromaticContact CD2-CG 3.9Å; F102-F166 HydrophobicContact CD2-CG 3.9Å; F102-F166 HydrophobicContact CE2-CB 4.26Å; F102-F166 HydrophobicContact CG-CD1 4.46Å; I161-F166 HydrophobicContact CG2-CB 3.87Å; D162-F166 WeakPolarHBondContact O-CB 3.36Å; D162-F166 PolarHBondContact O-N 3.17Å; Y163-F166 HydrophobicContact CD2-CD1 4.48Å; F166-K168 VanDerWaalsContact C-N 3.26Å; F166-K168 PolarHBondContact O-N 3.44Å; F166-S169 PolarHBondContact O-N 2.96Å; F166-S169 PolarHBondContact O-OG 3.22Å; F166-L170 HydrophobicContact CE1-CD1 4.12Å; F166-L170 HydrophobicContact CZ-CD1 4.14Å
167A88.8Confident91.2Very high15 Ų1570.3 Ų70.312%0.12437%0.37CS..Hα-helixtrans-70.5-24.3-17800000114Q98 Y163 E165 Q171Q98-A167 VanDerWaalsContact NE2-CA 3.28Å; Y163-A167 HydrophobicContact CE1-CB 4.47Å; Y163-A167 WeakPolarHBondContact O-CB 3.39Å; Y163-A167 PolarHBondContact O-N 3.22Å; E165-A167 VanDerWaalsContact C-N 3.29Å; E165-A167 PolarHBondContact O-N 3.23Å; A167-Q171 PolarHBondContact O-NE2 2.58Å
168K89.4Confident90.7Very high131 Ų13165.6 Ų65.657%0.5735%0.345SS*.Hα-helixtrans-79.2-28.8175-74.9167.9-172.3163.90112.4A164 E165 F166 L170 Q171A164-K168 WeakPolarHBondContact O-CD 3.04Å; A164-K168 VanDerWaalsContact O-CG 3.23Å; A164-K168 WeakPolarHBondContact O-CG 3.28Å; A164-K168 PolarHBondContact O-N 3.11Å; E165-K168 PolarHBondContact O-N 3.11Å; E165-K168 VanDerWaalsContact O-N 3.15Å; F166-K168 VanDerWaalsContact C-N 3.26Å; F166-K168 PolarHBondContact O-N 3.44Å; K168-L170 VanDerWaalsContact C-N 3.26Å; K168-L170 PolarHBondContact O-N 3.32Å; K168-Q171 PolarHBondContact O-N 3.36Å
169S85.8Confident90.2Very high45 Ų4564.9 Ų64.932%0.31534%0.34SS..Hα-helixtrans-73.4-18.6-179.172.10000113.6D153 E165 F166D153-S169 WeakPolarHBondContact OD1-CB 3.48Å; D153-S169 WeakPolarHBondContact OD2-CB 3.38Å; D153-S169 PolarHBondContact OD2-OG 3.02Å; E165-S169 PolarHBondContact O-N 3.26Å; F166-S169 PolarHBondContact O-N 2.96Å; F166-S169 PolarHBondContact O-OG 3.22Å
170L79.2Confident89.6Confident111 Ų11167.4 Ų67.458%0.58134%0.339SS*.THydrogen-bonded Turntrans-91.23.4176.3-58.1-171.2000114.9Q98 F166 K168Q98-L170 HydrophobicContact CG-CD1 3.83Å; Q98-L170 VanDerWaalsContact NE2-CD1 3.29Å; F166-L170 HydrophobicContact CE1-CD1 4.12Å; F166-L170 HydrophobicContact CZ-CD1 4.14Å; K168-L170 VanDerWaalsContact C-N 3.26Å; K168-L170 PolarHBondContact O-N 3.32Å
171Q65.9Low88.8Confident215 Ų21565.8 Ų65.8100%1.00534%0.339SS*.  trans-103.90-179.2-72.7175.153.700112.5A167 K168A167-Q171 PolarHBondContact O-NE2 2.58Å; K168-Q171 PolarHBondContact O-N 3.36Å

Retrieved 171 of 171 residues in 99.3 ms (Link to these results)