A0A068BEV6_HUMAN Loading...

Truncated breast and ovarian cancer susceptibility protein 1

AlphaFold DB , UniProt , Accession A0A068BEV6, Species HUMAN (Homo sapiens, Human), Gene BRCA1, Length 126 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
1K43.9Very low57.4Low272 Ų272159 Ų159100%1.18384%0.84SS**  0135.90-80.5178173.7-177.30107.8
2S54.8Low58Low120 Ų120156.2 Ų156.284%0.83984%0.838SS**  trans-65.8142.4-156.4-178.10000115.4
3V52.9Low58.1Low125 Ų125150.7 Ų150.776%0.75882%0.819SS**  trans-57.7134.4168.2175.80000110.3
4Q58.5Low57.7Low200 Ų200148.5 Ų148.594%0.93582%0.816SS**  trans-117.7100.1163.3-146.1165.20.800109.3G6Q4-G6 PolarHBondContact O-N 3.31Å
5K61.3Low57.8Low184 Ų184149.1 Ų149.180%0.881%0.808SS**  trans-63.5112.8-179.4-160.6174.5-178.4-178.60107.9E7K5-E7 PolarHBondContact O-N 3.38Å
6G58Low57.8Low75 Ų75148 Ų14877%0.77381%0.808SS**PPolyproline II helixtrans-55.8119.4171.600000109.2Q4Q4-G6 PolarHBondContact O-N 3.31Å
7E59.2Low57.6Low186 Ų186147.7 Ų147.787%0.86980%0.799SS**PPolyproline II helixtrans-70.6140.6-165.9-156.7170.4173.400111.6K5K5-E7 PolarHBondContact O-N 3.38Å
8L56.3Low57.8Low143 Ų143145.7 Ų145.775%0.74979%0.793SS**PPolyproline II helixtrans-50141.9-176.3-95.7115.9000113.6R10L8-R10 PolarHBondContact O-N 3.33Å
9S62.4Low58.1Low104 Ų104148 Ų14873%0.72780%0.797SS**  trans-12.4109.9146.853.60000114.6
10R60.7Low58.3Low238 Ų238148.2 Ų148.290%0.89880%0.797SS**  trans-115.298159.3-95.7-175.8175.9-1700.2108.6L8L8-R10 PolarHBondContact O-N 3.33Å
11S63.7Low58.4Low102 Ų102145.2 Ų145.271%0.71379%0.793SS**PPolyproline II helixtrans-56145.6163.148.10000109.9S13S11-S13 PolarHBondContact O-N 3.45Å
12P64.1Low59.2Low125 Ų125142.1 Ų142.181%0.81278%0.783SS**PPolyproline II helixtrans-57.1138.1176.923.3-31.7000110.6
13S58.8Low59.4Low85 Ų85139.1 Ų139.159%0.59477%0.771SS**PPolyproline II helixtrans-53.8139.7-178.3-177.90000112.6S11 F15S11-S13 PolarHBondContact O-N 3.45Å; S13-F15 PolarHBondContact O-N 3.48Å; S13-F15 WeakPolarHBondContact OG-CD2 3.48Å
14P53.1Low59.9Low120 Ų120142.5 Ų142.578%0.77977%0.771SS**SBendtrans-81.164.6179.236.6-33.9000109.8
15F58.7Low60.1Low158 Ų158144.9 Ų144.969%0.69377%0.772SS**  trans-119.760.9167-82.6-81.8000109.6S13 H17S13-F15 PolarHBondContact O-N 3.48Å; S13-F15 WeakPolarHBondContact OG-CD2 3.48Å; F15-H17 AromaticContact CD1-NE2 3.81Å
16T58.3Low60.3Low131 Ų131146 Ų14680%0.80477%0.771SS**  trans-91.291151.154.60000106.4T18T16-T18 PolarHBondContact O-N 3.38Å
17H55.3Low60.5Low143 Ų143145.3 Ų145.366%0.66276%0.764SS**  trans-55.9108.6164.5-89.3-83.3000107.5F15 H19F15-H17 AromaticContact CD1-NE2 3.81Å; H17-H19 PolarHBondContact O-N 3.32Å
18T60.5Low60.9Low112 Ų112141.1 Ų141.169%0.68776%0.761SS**  trans-52.1109.7165.142.80000108T16 L20T16-T18 PolarHBondContact O-N 3.38Å; T18-L20 PolarHBondContact O-N 2.83Å
19H63.1Low61.6Low189 Ų189143.2 Ų143.288%0.87576%0.764SS**  trans-69.984.8166.1-73.5-82.4000107.4H17 A21H17-H19 PolarHBondContact O-N 3.32Å; H19-A21 PolarHBondContact O-N 3.26Å
20L61.5Low62.2Low151 Ų151147.5 Ų147.579%0.79177%0.77SS**  trans-59121.2173-76.2168.8000108.7T18T18-L20 PolarHBondContact O-N 2.83Å
21A60.7Low62.6Low86 Ų86143.5 Ų143.571%0.71177%0.765SS**  trans39.7108.5153.300000116H19 G23H19-A21 PolarHBondContact O-N 3.26Å; A21-G23 PolarHBondContact O-N 3.43Å
22Q60.6Low62.5Low207 Ų207147.1 Ų147.197%0.96777%0.771SS**  trans-60.181.9154.2-174173.3-500108.2Y24Q22-Y24 PolarHBondContact O-N 3.33Å; Q22-Y24 VanDerWaalsContact O-N 3.14Å
23G59.8Low62.4Low57 Ų57147 Ų14759%0.58877%0.773SS**  trans-59.7116177.400000108.3A21 R25A21-G23 PolarHBondContact O-N 3.43Å; G23-R25 PolarHBondContact O-N 3.25Å
24Y62.9Low62.6Low197 Ų197148.2 Ų148.277%0.77378%0.782SS**  trans-51.9104.3169.4-160.3-90.8000107.5Q22 R26Q22-Y24 PolarHBondContact O-N 3.33Å; Q22-Y24 VanDerWaalsContact O-N 3.14Å; Y24-R26 HydrophobicContact CD1-CB 3.99Å; Y24-R26 HydrophobicContact CE1-CB 4.4Å; Y24-R26 PolarHBondContact O-N 3.45Å
25R62.2Low63.3Low249 Ų249151.3 Ų151.394%0.9479%0.786SS**  trans-67.982.2168.1-81.4-159.3-172.6-123.76107.1G23 G27G23-R25 PolarHBondContact O-N 3.25Å; R25-G27 PolarHBondContact O-N 3.3Å
26R65.5Low63.4Low207 Ų207152 Ų15278%0.78179%0.791SS**  trans-70.291.5162.5-161.1175.9-71.9-159.1-0.8105Y24 A28Y24-R26 HydrophobicContact CD1-CB 3.99Å; Y24-R26 HydrophobicContact CE1-CB 4.4Å; Y24-R26 PolarHBondContact O-N 3.45Å; R26-A28 PolarHBondContact O-N 3.36Å
27G63.7Low63.8Low62 Ų62153.3 Ų153.364%0.63979%0.793SS**  trans-53.3114.1169.500000107.5R25 K29R25-G27 PolarHBondContact O-N 3.3Å; G27-K29 PolarHBondContact O-N 3.46Å
28A67.4Low63.9Low97 Ų97154.6 Ų154.680%0.80280%0.804SS**  trans-62.6111170.500000106.3R26 K30R26-A28 PolarHBondContact O-N 3.36Å; A28-K30 PolarHBondContact O-N 3.34Å
29K71.5Confident63.9Low187 Ų187154 Ų15481%0.81380%0.804SS**PPolyproline II helixtrans-62.3122.2166.3-69.5-179.7176.6-1780105.8G27 L31G27-K29 PolarHBondContact O-N 3.46Å; K29-L31 PolarHBondContact O-N 3.43Å; K29-L31 VanDerWaalsContact O-N 3.1Å
30K74.2Confident64Low194 Ų194149.4 Ų149.484%0.84379%0.794SS**PPolyproline II helixtrans-54.8117.6168.8-89.8-172.1164.2-165.40106.5A28A28-K30 PolarHBondContact O-N 3.34Å
31L69.4Low63.8Low154 Ų154150.8 Ų150.881%0.80680%0.796SS**PPolyproline II helixtrans-75.4121.5168.4-62.6173.8000105.6K29 S33K29-L31 PolarHBondContact O-N 3.43Å; K29-L31 VanDerWaalsContact O-N 3.1Å; L31-S33 PolarHBondContact O-N 3.23Å
32E61.9Low64Low179 Ų179153.9 Ų153.984%0.83680%0.801SS**PPolyproline II helixtrans-61.1118166.9-68.593.3-165.800107.8S34E32-S34 PolarHBondContact O-N 3.3Å; E32-S34 VanDerWaalsContact O-N 3.08Å
33S61.4Low64.3Low121 Ų121151.7 Ų151.785%0.84679%0.791SS**  trans-62.7109.9173.2-48.90000108.2L31 E35L31-S33 PolarHBondContact O-N 3.23Å; S33-E35 PolarHBondContact O-N 3.1Å
34S63.3Low65Low112 Ų112157.9 Ų157.978%0.78380%0.804SS**PPolyproline II helixtrans-66.8128.3166.8520000108.6E32 E36E32-S34 PolarHBondContact O-N 3.3Å; E32-S34 VanDerWaalsContact O-N 3.08Å; S34-E36 PolarHBondContact O-N 3.44Å
35E66.9Low65.6Low185 Ų185155.4 Ų155.486%0.86480%0.803SS**PPolyproline II helixtrans-49.4124.9176.5-174.4154.7116.400110.9S33 N37S33-E35 PolarHBondContact O-N 3.1Å; E35-N37 PolarHBondContact O-N 3.48Å
36E61.4Low66Low173 Ų173148 Ų14881%0.80879%0.788SS**PPolyproline II helixtrans-70.4117.4171.952.4-159.6139.500108.5S34 L38S34-E36 PolarHBondContact O-N 3.44Å; E36-L38 PolarHBondContact O-N 3.07Å; E36-L38 VanDerWaalsContact O-N 3.15Å
37N65.9Low66.4Low158 Ų158140.8 Ų140.885%0.84577%0.768SS**PPolyproline II helixtrans-51122.9170.9-70.3-82.9000107.9E35 S39E35-N37 PolarHBondContact O-N 3.48Å; N37-S39 VanDerWaalsContact C-N 3.35Å; N37-S39 PolarHBondContact O-N 3.48Å
38L58.5Low67Low170 Ų170145.5 Ų145.589%0.8977%0.771SS**  trans-52.1101174.3-59.4175.4000108.2E36 S40E36-L38 PolarHBondContact O-N 3.07Å; E36-L38 VanDerWaalsContact O-N 3.15Å; L38-S40 PolarHBondContact O-N 3.3Å; L38-S40 VanDerWaalsContact O-N 3.11Å
39S60.5Low67.7Low98 Ų98147.7 Ų147.769%0.68577%0.765SS**  trans-57.7117.2172.4-177.30000106.5N37 E41N37-S39 VanDerWaalsContact C-N 3.35Å; N37-S39 PolarHBondContact O-N 3.48Å; S39-E41 PolarHBondContact O-N 3.09Å
40S64.1Low68Low94 Ų94144.6 Ų144.666%0.65775%0.753SS**  trans-71.367.6174.250.60000109.3L38 D42L38-S40 PolarHBondContact O-N 3.3Å; L38-S40 VanDerWaalsContact O-N 3.11Å; S40-D42 PolarHBondContact O-N 3.15Å; S40-D42 VanDerWaalsContact O-N 3.11Å
41E58.7Low68.2Low179 Ų179141.5 Ų141.584%0.83675%0.745SS**THydrogen-bonded Turntrans-82.845.6174.2-161.9168.9106.900110.3S39S39-E41 PolarHBondContact O-N 3.09Å
42D64.1Low68.5Low152 Ų152140.2 Ų140.281%0.81374%0.738SS**THydrogen-bonded Turntrans-138.525.5173.9-165.437.1000111.5S40 E44S40-D42 PolarHBondContact O-N 3.15Å; S40-D42 VanDerWaalsContact O-N 3.11Å; D42-E44 PolarHBondContact O-N 3.33Å
43E67.1Low69.3Low161 Ų161139.6 Ų139.675%0.75273%0.733SS**  trans-78.896.3163.9-67.5-105.3154.100107L45E43-L45 PolarHBondContact O-N 3.02Å
44E73.5Confident69.8Low186 Ų186135.7 Ų135.787%0.86971%0.712SS**  trans-58.1103177.8-172.6176.2178.300109.7D42D42-E44 PolarHBondContact O-N 3.33Å
45L76Confident70.2Confident145 Ų145138.6 Ų138.676%0.75971%0.71SS**PPolyproline II helixtrans-64.8140.8-179.2-67.3177.8000109.7E43 C47E43-L45 PolarHBondContact O-N 3.02Å; L45-C47 PolarHBondContact O-N 3.32Å
46P71.4Confident70.1Confident95 Ų95135.1 Ų135.162%0.61770%0.702SS**PPolyproline II helixtrans-57119.817923.3-32.4000108.8H50P46-H50 HydrophobicContact CB-CB 4.2Å
47C74.4Confident69.8Low54 Ų54131.3 Ų131.337%0.36569%0.687SS.*PPolyproline II helixtrans-56150.7179.783.90000109.9L45 Q49 H50 L51L45-C47 PolarHBondContact O-N 3.32Å; C47-Q49 PolarHBondContact O-N 3.06Å; C47-H50 WeakPolarHBondContact O-CA 3.44Å; C47-H50 WeakPolarHBondContact O-CB 3.4Å; C47-H50 PolarHBondContact O-N 2.79Å; C47-H50 VanDerWaalsContact SG-CE1 3.5Å; C47-H50 PolarHBondContact SG-ND1 3.06Å; C47-L51 PolarHBondContact O-N 3.48Å
48F75.8Confident69.2Low161 Ų161130.8 Ų130.871%0.70668%0.684SS**Hα-helixtrans-54.4-26.7-176.4-91.6-86.4000113.4L51 L52F48-L51 PolarHBondContact O-N 2.95Å; F48-L52 WeakPolarHBondContact O-CB 3.4Å; F48-L52 VanDerWaalsContact O-CG 3.31Å; F48-L52 WeakPolarHBondContact O-CG 3.32Å; F48-L52 PolarHBondContact O-N 3.5Å
49Q80.7Confident68.9Low143 Ų143129.1 Ų129.167%0.66868%0.675SS**Hα-helixtrans-67.5-35.8175.1-58166.420.700111.5C47 L51 F53C47-Q49 PolarHBondContact O-N 3.06Å; Q49-L51 VanDerWaalsContact C-N 3.32Å; Q49-F53 WeakPolarHBondContact O-CA 3.31Å; Q49-F53 VanDerWaalsContact O-CB 3.3Å; Q49-F53 WeakPolarHBondContact O-CB 3.48Å; Q49-F53 PolarHBondContact O-N 3.5Å
50H78.1Confident68.3Low123 Ų123130 Ų13057%0.56968%0.678SS**Hα-helixtrans-70.2-26.1171.2-62122.4000113P46 C47 G54P46-H50 HydrophobicContact CB-CB 4.2Å; C47-H50 WeakPolarHBondContact O-CA 3.44Å; C47-H50 WeakPolarHBondContact O-CB 3.4Å; C47-H50 PolarHBondContact O-N 2.79Å; C47-H50 VanDerWaalsContact SG-CE1 3.5Å; C47-H50 PolarHBondContact SG-ND1 3.06Å; H50-G54 WeakPolarHBondContact O-CA 3.3Å; H50-G54 PolarHBondContact O-N 3.39Å
51L78.3Confident67.6Low129 Ų129130.3 Ų130.368%0.67568%0.68SS**Hα-helixtrans-76.6-41.5174.5-176.459.6000111.6C47 F48 Q49C47-L51 PolarHBondContact O-N 3.48Å; F48-L51 PolarHBondContact O-N 2.95Å; Q49-L51 VanDerWaalsContact C-N 3.32Å
52L77.4Confident67.2Low126 Ų126131 Ų13166%0.6668%0.684SS**Hα-helixtrans-81.2-35.4-177.4-65.3174.7000112.8F48F48-L52 WeakPolarHBondContact O-CB 3.4Å; F48-L52 VanDerWaalsContact O-CG 3.31Å; F48-L52 WeakPolarHBondContact O-CG 3.32Å; F48-L52 PolarHBondContact O-N 3.5Å
53F78.7Confident66.4Low167 Ų167128.8 Ų128.873%0.73268%0.68SS**Hα-helixtrans-124.312.3-174.2-52.8-71000112.9Q49 K55Q49-F53 WeakPolarHBondContact O-CA 3.31Å; Q49-F53 VanDerWaalsContact O-CB 3.3Å; Q49-F53 WeakPolarHBondContact O-CB 3.48Å; Q49-F53 PolarHBondContact O-N 3.5Å; F53-K55 PolarHBondContact O-N 3.29Å
54G70.2Confident65.4Low38 Ų38126.5 Ų126.539%0.39268%0.677SS.*  trans-55.5114.6173.500000110.4H50 V56H50-G54 WeakPolarHBondContact O-CA 3.3Å; H50-G54 PolarHBondContact O-N 3.39Å; G54-V56 PolarHBondContact O-N 3.19Å
55K71.6Confident64.3Low173 Ų173127.5 Ų127.575%0.75267%0.673SS**  trans-69.8113.6-178.9-159.8178.1175.6171.60108.8F53 N57F53-K55 PolarHBondContact O-N 3.29Å; K55-N57 VanDerWaalsContact C-N 3.33Å; K55-N57 WeakPolarHBondContact CD-OD1 3.43Å; K55-N57 VanDerWaalsContact CG-OD1 3.29Å; K55-N57 WeakPolarHBondContact CG-OD1 2.92Å; K55-N57 PolarHBondContact O-N 2.92Å
56V65.5Low62.5Low112 Ų112129.2 Ų129.268%0.67968%0.676SS**  trans-74.489.5175-175.90000108.5G54 N58G54-V56 PolarHBondContact O-N 3.19Å; V56-N58 WeakPolarHBondContact CG1-ND2 3.35Å; V56-N58 PolarHBondContact O-N 2.94Å
57N55.3Low61.1Low94 Ų94129.6 Ų129.650%0.50368%0.682SS.*  trans-86.790172.8-60.8-23.6000108.3K55 I59K55-N57 VanDerWaalsContact C-N 3.33Å; K55-N57 WeakPolarHBondContact CD-OD1 3.43Å; K55-N57 VanDerWaalsContact CG-OD1 3.29Å; K55-N57 WeakPolarHBondContact CG-OD1 2.92Å; K55-N57 PolarHBondContact O-N 2.92Å; N57-I59 PolarHBondContact O-N 3.46Å; N57-I59 VanDerWaalsContact O-N 3.09Å
58N52.3Low59.7Low146 Ų146132.8 Ų132.878%0.78170%0.699SS**  trans-7829.1169.7-65.2-44.4000112.6V56V56-N58 WeakPolarHBondContact CG1-ND2 3.35Å; V56-N58 PolarHBondContact O-N 2.94Å
59I54.2Low58.3Low136 Ų136131.7 Ų131.770%0.69771%0.705SS**SBendtrans-131125177.8-47176000106.7N57 S61N57-I59 PolarHBondContact O-N 3.46Å; N57-I59 VanDerWaalsContact O-N 3.09Å; I59-S61 PolarHBondContact O-N 3.48Å
60P47.4Very low56.8Low115 Ų115129.1 Ų129.175%0.74771%0.709SS**  trans-56.7116.1178.5-19.830.2000108.9Q62P60-Q62 PolarHBondContact O-N 3.47Å
61S48.1Very low55.4Low102 Ų102129.4 Ų129.471%0.71372%0.72SS**  trans-67.575.7169.9-62.80000109.3I59 S63I59-S61 PolarHBondContact O-N 3.48Å; S61-S63 PolarHBondContact O-N 3.01Å
62Q51.2Low53.6Low194 Ų194132.4 Ų132.491%0.90773%0.73SS**  trans-77.172.7155.2-83.9-166.7-6.200108P60P60-Q62 PolarHBondContact O-N 3.47Å
63S48.3Very low52.2Low104 Ų104132.3 Ų132.373%0.72774%0.738SS**  trans-105.774167.4179.10000108.5S61S61-S63 PolarHBondContact O-N 3.01Å
64T45.3Very low50.6Low113 Ų113131 Ų13169%0.69374%0.738SS**SBendtrans-142.1101.5150.6-66.10000107.9
65R50.3Low49.4Very low208 Ų208134.8 Ų134.879%0.78576%0.759SS**  trans53.7109.7151.9-57.4177173.1140.3-0.6113
66H38.8Very low48.2Very low180 Ų180134.7 Ų134.783%0.83376%0.759SS**  -17015173.2-73.5-79.7000110.7
67S40.9Very low47.4Very low104 Ų104134.6 Ų134.673%0.72775%0.754SS**  trans86.7101145.8-150.80000119.8
68T45.5Very low47Very low120 Ų120135.9 Ų135.974%0.73677%0.766SS**  69.4101.6122.5-40.80000119.9
69V46.5Very low46.8Very low138 Ų138137 Ų13784%0.83677%0.766SS**  trans41.6108.3137.7-171.40000118.5
70A48.2Very low46.6Very low90 Ų90136.7 Ų136.774%0.74476%0.762SS**  trans-16710413600000111.5
71T48.5Very low46.9Very low129 Ų129136.9 Ų136.979%0.79176%0.756SS**  trans22.8114.9143.5470000121.4
72E42.2Very low47.2Very low192 Ų192137.8 Ų137.890%0.89775%0.753SS**  trans59.6130.6133.4-147.6167.4-167.400121.8
73C46.6Very low47.2Very low123 Ų123134.1 Ų134.183%0.83174%0.739SS**  trans-90.2164.4-166.6-51.60000114
74L45.8Very low47.4Very low140 Ų140133.1 Ų133.173%0.73373%0.732SS**  trans129.2100.9138.3-157.1139.1000113.7K76L74-K76 HydrophobicContact CD2-CD 4.15Å; L74-K76 HydrophobicContact CD2-CG 3.79Å
75S44.3Very low47.8Very low118 Ų118133.4 Ų133.483%0.82573%0.728SS**  trans-128.3123.4165.8-178.70000109.1
76K46.6Very low47.9Very low171 Ų171130.6 Ų130.674%0.74372%0.722SS**  trans-94.5115.9-171.2-56.6167.3-175.3175.30108.6L74L74-K76 HydrophobicContact CD2-CD 4.15Å; L74-K76 HydrophobicContact CD2-CG 3.79Å
77N49.4Very low48.8Very low110 Ų110126.8 Ų126.859%0.58871%0.708SS**  trans-111.5100.1175.454.7-19.5000110.7E80N77-E80 WeakPolarHBondContact CB-OE1 3.29Å; N77-E80 PolarHBondContact ND2-OE1 2.77Å
78T46.3Very low49.5Very low121 Ų121125.9 Ų125.974%0.74270%0.701SS**  trans-107.6-1.2-167.7-57.60000114.9
79E48.3Very low49.7Very low169 Ų169126.6 Ų126.679%0.7970%0.7SS**SBendtrans-112.2-36.4-170.6-161167.3177.800115N81E79-N81 PolarHBondContact O-N 3.36Å
80E50.8Low50.2Low130 Ų130125 Ų12561%0.60769%0.687SS**Hα-helixtrans-73.5-22.7-174.464.9-157.9172.600114.6N77N77-E80 WeakPolarHBondContact CB-OE1 3.29Å; N77-E80 PolarHBondContact ND2-OE1 2.77Å
81N53.6Low50.3Low118 Ų118126.4 Ų126.463%0.63168%0.681SS**Hα-helixtrans-74.6-30.8-174.3-154-80.5000112.9E79 L85E79-N81 PolarHBondContact O-N 3.36Å; N81-L85 PolarHBondContact O-N 3.31Å
82L53.7Low50.2Low121 Ų121123.6 Ų123.663%0.63467%0.667SS**Hα-helixtrans-74.9-33.7-175.2-63.9-179.5000113.1K86L82-K86 PolarHBondContact O-N 3.06Å
83L50.7Low50.7Low118 Ų118118.6 Ų118.662%0.61865%0.653SS**Hα-helixtrans-69.6-35.2178-68.7171.1000111.8N87L83-N87 PolarHBondContact O-N 3.21Å
84S52.8Low51.1Low83 Ų83119.5 Ų119.558%0.5865%0.649SS**Hα-helixtrans-69.3-42.2178-168.40000112.1K86 N87 S88S84-K86 VanDerWaalsContact C-N 3.31Å; S84-K86 PolarHBondContact O-N 3.25Å; S84-N87 PolarHBondContact O-N 3.27Å; S84-S88 PolarHBondContact O-N 3.02Å
85L53.9Low51.2Low118 Ų118119.6 Ų119.662%0.61865%0.646SS**Hα-helixtrans-63.1-36.3177.3-17462.7000112.4N81 N87 S88 L89N81-L85 PolarHBondContact O-N 3.31Å; L85-N87 PolarHBondContact O-N 3.26Å; L85-S88 PolarHBondContact O-N 3.37Å; L85-L89 PolarHBondContact O-N 3.46Å
86K51.8Low51.2Low149 Ų149118.8 Ų118.865%0.64864%0.636SS**Hα-helixtrans-68.2-32.8179.7-158-178.698.5-175.30112.9L82 S84L82-K86 PolarHBondContact O-N 3.06Å; S84-K86 VanDerWaalsContact C-N 3.31Å; S84-K86 PolarHBondContact O-N 3.25Å
87N58.5Low51.4Low101 Ų101117.9 Ų117.954%0.5464%0.638SS.*Hα-helixtrans-74.9-37.6177.4-73.4-12.7000111.8L83 S84 L85 L89 N90L83-N87 PolarHBondContact O-N 3.21Å; S84-N87 PolarHBondContact O-N 3.27Å; L85-N87 PolarHBondContact O-N 3.26Å; N87-L89 VanDerWaalsContact C-N 3.27Å; N87-L89 PolarHBondContact O-N 3.48Å; N87-N90 PolarHBondContact O-N 3.08Å
88S56.2Low51.4Low85 Ų85120.1 Ų120.159%0.59465%0.649SS**Hα-helixtrans-61.8-32.6175.3171.10000113.3S84 L85S84-S88 PolarHBondContact O-N 3.02Å; L85-S88 PolarHBondContact O-N 3.37Å
89L49.7Very low51.3Low135 Ų135117.4 Ų117.471%0.70764%0.639SS**Hα-helixtrans-74.1-32.3179.2-172.466.9000112.5L85 N87 D91 C92L85-L89 PolarHBondContact O-N 3.46Å; N87-L89 VanDerWaalsContact C-N 3.27Å; N87-L89 PolarHBondContact O-N 3.48Å; L89-D91 VanDerWaalsContact C-N 3.34Å; L89-C92 PolarHBondContact O-N 3.42Å
90N55.3Low51.4Low105 Ų105117.1 Ų117.156%0.56164%0.635SS**Hα-helixtrans-70.2-32.4-178.2104.727000112N87 C92 S93N87-N90 PolarHBondContact O-N 3.08Å; N90-C92 PolarHBondContact O-N 2.82Å; N90-S93 PolarHBondContact O-N 2.96Å
91D50.9Low51.2Low118 Ų118115.8 Ų115.863%0.63165%0.646SS**G310 helixtrans-70.7-14-179.3-113-15.3000113.1L89 S93L89-D91 VanDerWaalsContact C-N 3.34Å; D91-S93 VanDerWaalsContact C-N 3.28Å; D91-S93 PolarHBondContact O-N 3.42Å
92C47.8Very low51.1Low71 Ų71114.5 Ų114.548%0.4865%0.646SS.*G310 helixtrans-77.7-10.4178.5-167.70000113.3L89 N90 N94 Q95L89-C92 PolarHBondContact O-N 3.42Å; N90-C92 PolarHBondContact O-N 2.82Å; C92-N94 VanDerWaalsContact C-N 3.31Å; C92-N94 PolarHBondContact O-N 3.03Å; C92-Q95 PolarHBondContact O-N 3.46Å
93S52.1Low51Low87 Ų87113.6 Ų113.661%0.60864%0.639SS**G310 helixtrans-70-26.4-176.4-168.80000113.4N90 D91N90-S93 PolarHBondContact O-N 2.96Å; D91-S93 VanDerWaalsContact C-N 3.28Å; D91-S93 PolarHBondContact O-N 3.42Å
94N53.6Low50.6Low141 Ų141115.3 Ų115.375%0.75464%0.644SS**G310 helixtrans-89.8-9.7-177.6-65.9-38.6000113.6C92C92-N94 VanDerWaalsContact C-N 3.31Å; C92-N94 PolarHBondContact O-N 3.03Å
95Q49.3Very low50.4Low143 Ų143118 Ų11867%0.66865%0.647SS**G310 helixtrans-87.3-2.8177.4-74-161.664.900114.2C92 I97 L98C92-Q95 PolarHBondContact O-N 3.46Å; Q95-I97 PolarHBondContact O-N 3.26Å; Q95-I97 VanDerWaalsContact O-N 3.1Å; Q95-L98 PolarHBondContact O-N 3.13Å
96V43.7Very low50.1Low100 Ų100118.1 Ų118.161%0.60664%0.644SS**THydrogen-bonded Turntrans-64.1-16.9-176.6174.80000113.2
97I51.2Low50Low153 Ų153115.1 Ų115.179%0.78564%0.635SS**THydrogen-bonded Turntrans-84.1-23.5-177.9-57.2-178.8000112.6Q95Q95-I97 PolarHBondContact O-N 3.26Å; Q95-I97 VanDerWaalsContact O-N 3.1Å
98L49Very low49.5Very low156 Ų156118.2 Ų118.282%0.81764%0.639SS**G310 helixtrans-87.3-14.7-173.3-144.173.7000114.3Q95 K100Q95-L98 PolarHBondContact O-N 3.13Å; L98-K100 PolarHBondContact O-N 2.97Å
99A44.7Very low49.2Very low65 Ų65121.3 Ų121.354%0.53764%0.642SS.*G310 helixtrans-83.7-5.7-172.900000115.3A101A99-A101 PolarHBondContact O-N 2.93Å
100K49.7Very low49.3Very low162 Ų162120 Ų12070%0.70463%0.632SS**G310 helixtrans-76.9-16.9-173.5-71.2-68.1-171179.40114.9L98L98-K100 PolarHBondContact O-N 2.97Å
101A46.7Very low49.3Very low103 Ų103120.1 Ų120.185%0.85163%0.632SS**THydrogen-bonded Turntrans-95.4-14.2-17800000114.7A99A99-A101 PolarHBondContact O-N 2.93Å
102S50.7Low49.9Very low90 Ų90118.8 Ų118.863%0.62963%0.628SS**THydrogen-bonded Turntrans-97.9-11.8-179.6-169.40000113.6E104S102-E104 VanDerWaalsContact C-N 3.29Å; S102-E104 PolarHBondContact O-N 3.2Å; S102-E104 VanDerWaalsContact O-N 3.15Å
103Q52.9Low50.8Low103 Ų103121.7 Ų121.748%0.48164%0.638SS.*Hα-helixtrans-64.9-22.3-166.3-171.3172-0.200115L107Q103-L107 HydrophobicContact CG-CD1 3.88Å; Q103-L107 WeakPolarHBondContact O-CD1 3.36Å
104E42.9Very low51.7Low154 Ų154122.7 Ų122.772%0.7264%0.636SS**Hα-helixtrans-83.6-28-173.2-157.7170.8-178.700113.9S102S102-E104 VanDerWaalsContact C-N 3.29Å; S102-E104 PolarHBondContact O-N 3.2Å; S102-E104 VanDerWaalsContact O-N 3.15Å
105H48.4Very low52.4Low139 Ų139118.7 Ų118.764%0.64462%0.623SS**Hα-helixtrans-88.4-19.3-176.8-98.9-87.3000114.3
106H46.5Very low53.4Low121 Ų121115.4 Ų115.456%0.5662%0.615SS**Hα-helixtrans-88.5-32.9179.8-154.153.6000112.9R108 K109 Q110H106-R108 PolarHBondContact O-N 3.28Å; H106-K109 PolarHBondContact O-N 2.77Å; H106-Q110 PolarHBondContact O-N 3.02Å
107L49.4Very low55Low86 Ų86118 Ų11845%0.4562%0.618SS.*Hα-helixtrans-69.7-30.2177-70.8169.5000112.9Q103 K109 N111Q103-L107 HydrophobicContact CG-CD1 3.88Å; Q103-L107 WeakPolarHBondContact O-CD1 3.36Å; L107-K109 PolarHBondContact O-N 3.3Å; L107-N111 PolarHBondContact O-N 3.07Å; L107-N111 PolarHBondContact O-ND2 3.05Å; L107-N111 VanDerWaalsContact O-ND2 3.07Å
108R48.4Very low56.2Low166 Ų166115.4 Ų115.463%0.62661%0.606SS**Hα-helixtrans-64.7-39.9177.4-167.1-177.4-65.5-159.20.8112.3H106 V112H106-R108 PolarHBondContact O-N 3.28Å; R108-V112 PolarHBondContact O-N 3.1Å
109K49.7Very low57.2Low150 Ų150114 Ų11465%0.65259%0.594SS**Hα-helixtrans-72.5-36.2-178.4-66.6-175179-176.60112.2H106 L107 V112 L113H106-K109 PolarHBondContact O-N 2.77Å; L107-K109 PolarHBondContact O-N 3.3Å; K109-V112 PolarHBondContact O-N 3Å; K109-L113 PolarHBondContact O-N 3.19Å
110Q52.8Low58.3Low108 Ų108114.7 Ų114.751%0.50560%0.596SS.*Hα-helixtrans-67.3-36.9177.2-71.6-173.3-5.600112.6H106 V112 L113 L114H106-Q110 PolarHBondContact O-N 3.02Å; Q110-V112 PolarHBondContact O-N 2.91Å; Q110-L113 PolarHBondContact O-N 3.35Å; Q110-L114 PolarHBondContact O-N 3.11Å
111N55.2Low59.3Low107 Ų107109.7 Ų109.757%0.57258%0.584SS**Hα-helixtrans-66.7-35.8178.5-72.1-33.9000113.1L107 A115L107-N111 PolarHBondContact O-N 3.07Å; L107-N111 PolarHBondContact O-ND2 3.05Å; L107-N111 VanDerWaalsContact O-ND2 3.07Å; N111-A115 WeakPolarHBondContact O-CB 3.46Å; N111-A115 PolarHBondContact O-N 3.11Å
112V63.5Low60.5Low90 Ų90109.8 Ų109.855%0.54557%0.574SS.*Hα-helixtrans-68.9-41.8176.8175.70000110.9R108 K109 Q110 A115 C116R108-V112 PolarHBondContact O-N 3.1Å; K109-V112 PolarHBondContact O-N 3Å; Q110-V112 PolarHBondContact O-N 2.91Å; V112-A115 PolarHBondContact O-N 2.79Å; V112-C116 PolarHBondContact O-N 3.39Å; V112-C116 PolarHBondContact O-SG 3.15Å
113L66.5Low60.9Low132 Ų132109.6 Ų109.669%0.69157%0.566SS**Hα-helixtrans-62.6-43.3177.6-117.7152.3000111.9K109 Q110 F117K109-L113 PolarHBondContact O-N 3.19Å; Q110-L113 PolarHBondContact O-N 3.35Å; L113-F117 PolarHBondContact O-N 3.27Å; L113-F117 VanDerWaalsContact O-N 3.13Å
114L70.1Confident61.1Low108 Ų108115.9 Ų115.957%0.56559%0.585SS**Hα-helixtrans-66.4-40.7176.5-164.275.8000112Q110 F117 L118Q110-L114 PolarHBondContact O-N 3.11Å; L114-F117 PolarHBondContact O-N 2.79Å; L114-L118 HydrophobicContact CG-CD1 4.43Å; L114-L118 WeakPolarHBondContact O-CG 3.36Å; L114-L118 PolarHBondContact O-N 3.49Å
115A68.5Low61.6Low57 Ų57117.7 Ų117.747%0.47159%0.591SS.*Hα-helixtrans-64.6-42.3177.600000112.4N111 V112 F117 L118 H119N111-A115 WeakPolarHBondContact O-CB 3.46Å; N111-A115 PolarHBondContact O-N 3.11Å; V112-A115 PolarHBondContact O-N 2.79Å; A115-F117 VanDerWaalsContact C-N 3.32Å; A115-F117 PolarHBondContact O-N 3.08Å; A115-L118 PolarHBondContact O-N 3.18Å; A115-H119 WeakPolarHBondContact O-CB 3.42Å; A115-H119 PolarHBondContact O-N 2.69Å
116C70.8Confident61.7Low74 Ų74119.5 Ų119.550%0.561%0.612SS.*Hα-helixtrans-62.3-39.9174.9-69.40000111.9V112 S120V112-C116 PolarHBondContact O-N 3.39Å; V112-C116 PolarHBondContact O-SG 3.15Å; C116-S120 PolarHBondContact O-N 2.89Å; C116-S120 VanDerWaalsContact O-N 3.08Å; C116-S120 PolarHBondContact O-OG 3.05Å; C116-S120 VanDerWaalsContact O-OG 3.05Å
117F77.9Confident62.4Low153 Ų153119.5 Ų119.567%0.67162%0.615SS**Hα-helixtrans-65.4-45178-171.2-97.3000112.2L113 L114 A115 S120 A121L113-F117 PolarHBondContact O-N 3.27Å; L113-F117 VanDerWaalsContact O-N 3.13Å; L114-F117 PolarHBondContact O-N 2.79Å; A115-F117 VanDerWaalsContact C-N 3.32Å; A115-F117 PolarHBondContact O-N 3.08Å; F117-S120 PolarHBondContact O-N 2.75Å; F117-A121 WeakPolarHBondContact O-CB 3.36Å; F117-A121 PolarHBondContact O-N 3.24Å
118L74.8Confident63.1Low100 Ų100121.2 Ų121.252%0.52462%0.623SS.*Hα-helixtrans-66.2-40.5178-70.6172.4000112.1L114 A115 S120 A121 V122L114-L118 HydrophobicContact CG-CD1 4.43Å; L114-L118 WeakPolarHBondContact O-CG 3.36Å; L114-L118 PolarHBondContact O-N 3.49Å; A115-L118 PolarHBondContact O-N 3.18Å; L118-S120 PolarHBondContact O-N 2.96Å; L118-A121 PolarHBondContact O-N 3.1Å; L118-V122 WeakPolarHBondContact O-CG2 3.45Å; L118-V122 PolarHBondContact O-N 2.95Å
119H70.1Confident63.9Low126 Ų126118.7 Ų118.758%0.58362%0.623SS**Hα-helixtrans-62.9-42.1177.1-175.8-134.5000111.8A115 V122 N123A115-H119 WeakPolarHBondContact O-CB 3.42Å; A115-H119 PolarHBondContact O-N 2.69Å; H119-V122 PolarHBondContact O-N 3.03Å; H119-N123 PolarHBondContact CD2-ND2 3.14Å; H119-N123 PolarHBondContact NE2-ND2 2.89Å; H119-N123 PolarHBondContact O-N 3.43Å; H119-N123 PolarHBondContact O-ND2 3.24Å
120S69.6Low64.8Low80 Ų80116.9 Ų116.956%0.55962%0.621SS**Hα-helixtrans-65.2-38.1175.2-62.80000112.5C116 F117 L118 W124C116-S120 PolarHBondContact O-N 2.89Å; C116-S120 VanDerWaalsContact O-N 3.08Å; C116-S120 PolarHBondContact O-OG 3.05Å; C116-S120 VanDerWaalsContact O-OG 3.05Å; F117-S120 PolarHBondContact O-N 2.75Å; L118-S120 PolarHBondContact O-N 2.96Å; S120-W124 PolarHBondContact O-N 3Å
121A70.9Confident65.5Low56 Ų56117.4 Ų117.446%0.46363%0.629SS.*Hα-helixtrans-67.9-34.217900000113.3F117 L118F117-A121 WeakPolarHBondContact O-CB 3.36Å; F117-A121 PolarHBondContact O-N 3.24Å; L118-A121 PolarHBondContact O-N 3.1Å
122V71.5Confident66.2Low105 Ų105118.1 Ų118.164%0.63663%0.632SS**Hα-helixtrans-71.1-43.1177.3172.80000111.3L118 H119 W124 K125L118-V122 WeakPolarHBondContact O-CG2 3.45Å; L118-V122 PolarHBondContact O-N 2.95Å; H119-V122 PolarHBondContact O-N 3.03Å; V122-W124 VanDerWaalsContact C-N 3.28Å; V122-W124 PolarHBondContact O-N 2.84Å; V122-K125 PolarHBondContact O-N 3.22Å
123N59.1Low66.4Low87 Ų87120.1 Ų120.147%0.46564%0.639SS.*Hα-helixtrans-70-22.1-179.6-75-68.8000113.7H119 K125 T126H119-N123 PolarHBondContact CD2-ND2 3.14Å; H119-N123 PolarHBondContact NE2-ND2 2.89Å; H119-N123 PolarHBondContact O-N 3.43Å; H119-N123 PolarHBondContact O-ND2 3.24Å; N123-K125 PolarHBondContact O-N 3.38Å; N123-T126 PolarHBondContact O-OG1 3.19Å
124W56.2Low66.4Low234 Ų234119.2 Ų119.289%0.88664%0.635SS**THydrogen-bonded Turntrans-70.8-16.5176.8-176.5-93.9000113.5S120 V122S120-W124 PolarHBondContact O-N 3Å; V122-W124 VanDerWaalsContact C-N 3.28Å; V122-W124 PolarHBondContact O-N 2.84Å
125K53.7Low66.1Low193 Ų193120.2 Ų120.284%0.83964%0.64SS**THydrogen-bonded Turntrans-105.98-170.9-160.2158.3179.6168.50114.7V122 N123V122-K125 PolarHBondContact O-N 3.22Å; N123-K125 PolarHBondContact O-N 3.38Å
126T50Low65.9Low177 Ų177125.9 Ų125.9100%1.08666%0.656SS**  trans-108.70169.731.60000110.2N123N123-T126 PolarHBondContact O-OG1 3.19Å

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