A0A087X3U5_POEFO Loading...

NtA domain-containing protein

AlphaFold DB , UniProt , Accession A0A087X3U5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 160 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
1V40.6Very low42.7Very low190 Ų190152 Ų152100%1.15285%0.847SS**  01400-178.70000107.5
2M35Very low43.6Very low182 Ų182160.6 Ų160.690%0.89786%0.857SS**  trans73.9107.2-168.5-64.3178.7-171.900113.6
3A32.5Very low44.1Very low97 Ų97156.4 Ų156.480%0.80286%0.858SS**  cis78.4116.845.500000114.7
4S41.3Very low44.8Very low110 Ų110152 Ų15277%0.76985%0.853SS**  96.1142.3130-153.20000119.8
5Q40.1Very low45.4Very low161 Ų161153.1 Ų153.175%0.75286%0.855SS**  trans85.6123.3172.1-46.2-173.44.300113.6
6R42.3Very low46Very low228 Ų228154.4 Ų154.486%0.8686%0.859SS**  cis-151.8151.340.2-74.1177.9169.6158.7-5.2113.4
7T44.9Very low46.5Very low129 Ų129156.1 Ų156.179%0.79186%0.864SS**  trans-71.3153.7179.637.50000115.1
8L48.9Very low46.9Very low159 Ų159153.5 Ų153.583%0.83287%0.867SS**  trans22.3123.8146.2-9276.3000119.2
9R42.6Very low47.3Very low248 Ų248149.4 Ų149.494%0.93686%0.862SS**  -154.390.4123.3-120.7174.5178.6-1780.3111.1
10A51.6Low47.9Very low99 Ų99150.4 Ų150.482%0.81886%0.864SS**  trans-64.3135.5152.700000108.4
11G50.5Low48.4Very low69 Ų69149.9 Ų149.971%0.71186%0.863SS**  trans143.2132.4167.500000113.4
12R52.5Low49.3Very low255 Ų255149.1 Ų149.196%0.96285%0.851SS**SBendtrans99.647.4166.4-54.4-179.6161-173.5-7117.7
13A51Low50.7Low106 Ų106144.5 Ų144.588%0.87684%0.842SS**SBendtrans-138.127.716600000114.6
14A54Low52Low95 Ų95144.3 Ų144.379%0.78583%0.833SS**SBendtrans-145.533.2-175.100000115.5
15L53.2Low53Low169 Ų169147.3 Ų147.389%0.88584%0.839SS**  trans-144.660.9176.4-78.7171.3000111.7
16L55.5Low54.1Low174 Ų174149.9 Ų149.991%0.91184%0.842SS**SBendtrans-14326.9170-76.6-178.7000114
17L53.3Low55.1Low182 Ų182143.9 Ų143.995%0.95383%0.833SS**SBendtrans-133.916.7179.6-77.2171.6000115.8
18A55.4Low56Low110 Ų110142.9 Ų142.991%0.90983%0.829SS**SBendtrans-12649.9-176.400000113.4
19G53.5Low56.6Low76 Ų76141.6 Ų141.678%0.78483%0.831SS**SBendtrans-147.328.2-174.800000116
20L58.5Low57.6Low169 Ų169135.6 Ų135.689%0.88582%0.822SS**SBendtrans-143.836.8-175.3-118.8145.2000113.5
21V60.3Low58.3Low139 Ų139135.5 Ų135.584%0.84282%0.821SS**  trans-147.161169.2-163.90000111.1
22L59.3Low59.5Low174 Ų174137.1 Ų137.191%0.91182%0.822SS**  trans-143.465160-78.5174.1000108.3
23A62.8Low61.1Low86 Ų86127.9 Ų127.971%0.71180%0.795SS**  trans-68.4124.1158.400000106.8L25A23-L25 PolarHBondContact O-N 3.2Å; A23-L25 VanDerWaalsContact O-N 3.11Å
24P61.4Low62.8Low93 Ų93128.7 Ų128.760%0.60479%0.791SS**  trans-63.1118.7177.224.6-30.4000108.6W26P24-W26 HydrophobicContact CB-CD2 4.12Å; P24-W26 HydrophobicContact CB-CE3 3.81Å; P24-W26 HydrophobicContact CB-CZ3 4.32Å; P24-W26 HydrophobicContact CG-CE3 4.29Å; P24-W26 PolarHBondContact O-N 2.7Å
25L62Low64.7Low173 Ų173127.5 Ų127.591%0.90677%0.77SS**  trans-69.137.4167.2-76.2156.5000111.1A23 P27A23-L25 PolarHBondContact O-N 3.2Å; A23-L25 VanDerWaalsContact O-N 3.11Å; L25-P27 VanDerWaalsContact O-CD 3.3Å; L25-P27 WeakPolarHBondContact O-CD 3.38Å
26W62Low66.7Low214 Ų214124.1 Ų124.181%0.81175%0.748SS**PPolyproline II helixtrans-73.9120.3168.5-77.1-37.4000107P24P24-W26 HydrophobicContact CB-CD2 4.12Å; P24-W26 HydrophobicContact CB-CE3 3.81Å; P24-W26 HydrophobicContact CB-CZ3 4.32Å; P24-W26 HydrophobicContact CG-CE3 4.29Å; P24-W26 PolarHBondContact O-N 2.7Å
27P63.4Low68.6Low103 Ų103119.5 Ų119.567%0.66972%0.724SS**PPolyproline II helixtrans-49.8134.9163.6-18.229.9000106.4L25 C29L25-P27 VanDerWaalsContact O-CD 3.3Å; L25-P27 WeakPolarHBondContact O-CD 3.38Å; P27-C29 PolarHBondContact O-N 2.79Å
28P63.9Low70.7Confident108 Ų108111.9 Ų111.970%0.70168%0.684SS**PPolyproline II helixtrans-50125.9167.622.3-30.7000106V30P28-V30 PolarHBondContact O-N 3.09Å
29C62.8Low72.6Confident131 Ų131111.9 Ų111.989%0.88567%0.665SS**  trans-58.891.5169.5-80.60000106.1P27 A31P27-C29 PolarHBondContact O-N 2.79Å; C29-A31 PolarHBondContact O-N 3Å
30V61.9Low74.6Confident123 Ų123111.2 Ų111.275%0.74564%0.644SS**  trans-67.1100.7162.8-174.70000102.4P28 S32P28-V30 PolarHBondContact O-N 3.09Å; V30-S32 PolarHBondContact O-N 2.86Å
31A66.2Low76.5Confident96 Ų96104.3 Ų104.379%0.79361%0.606SS**  trans-60.293.1169.300000106C29 C33C29-A31 PolarHBondContact O-N 3Å; A31-C33 PolarHBondContact O-N 2.84Å; A31-C33 VanDerWaalsContact O-N 3.16Å
32S77.2Confident78.2Confident104 Ų10497.9 Ų97.973%0.72757%0.567SS**  trans-66.8115.1174.1-170.90000105.8V30 P34V30-S32 PolarHBondContact O-N 2.86Å; S32-P34 WeakPolarHBondContact O-CD 3.47Å
33C85.7Confident79.9Confident60 Ų6095.6 Ų95.641%0.40555%0.552SS.*  trans-68.8122.9176.1-169.40000108.1A31 E35 C105A31-C33 PolarHBondContact O-N 2.84Å; A31-C33 VanDerWaalsContact O-N 3.16Å; C33-E35 VanDerWaalsContact C-N 3.31Å; C33-E35 PolarHBondContact O-N 2.81Å; C33-C105 HydrophobicContact CB-CB 3.64Å; C33-C105 WeakPolarHBondContact CB-SG 3.37Å; C33-C105 WeakPolarHBondContact SG-CA 3.25Å; C33-C105 WeakPolarHBondContact SG-CB 3.49Å; C33-C105 CovalentContact SG-SG 2Å; C33-C105 PolarHBondContact SG-SG 3.34Å
34P87.4Confident81.4Confident123 Ų12395.4 Ų95.480%0.79954%0.536SS*.  trans-77.683.4-176.431.6-33.8000109.7S32S32-P34 WeakPolarHBondContact O-CD 3.47Å
35E93.6Very high83.1Confident70 Ų7091 Ų9133%0.32751%0.507SS..PPolyproline II helixtrans-82.2139173.4-166.266.4-142.600110.3C33 R41 C105 S139C33-E35 VanDerWaalsContact C-N 3.31Å; C33-E35 PolarHBondContact O-N 2.81Å; E35-R41 WeakPolarHBondContact OE1-CD 3.25Å; E35-R41 IonicContact OE1-CZ 2.69Å; E35-R41 IonicContact OE1-NE 3.12Å; E35-R41 PolarHBondContact OE1-NE 2.94Å; E35-C105 VanDerWaalsContact OE2-CB 3.23Å; E35-C105 WeakPolarHBondContact OE2-CB 3.33Å; E35-C105 PolarHBondContact OE2-SG 3.29Å; E35-S139 VanDerWaalsContact CD-CB 3.46Å; E35-S139 WeakPolarHBondContact OE1-CB 3.4Å; E35-S139 PolarHBondContact OE1-N 2.87Å; E35-S139 PolarHBondContact OE1-OG 3.04Å; E35-S139 VanDerWaalsContact OE2-CB 3.26Å; E35-S139 WeakPolarHBondContact OE2-CB 3.26Å; E35-S139 PolarHBondContact OE2-OG 3.16Å
36K94.5Very high84.5Confident99 Ų9987.7 Ų87.743%0.4349%0.49SS..PPolyproline II helixtrans-70.6162173.2-68.7-177.7-175.9176.20111.3D40 R41 E44K36-D40 HydrophobicContact CB-CB 4.22Å; K36-D40 HydrophobicContact CD-CB 4.23Å; K36-R41 HydrophobicContact CB-CG 3.83Å; K36-R41 WeakPolarHBondContact O-CD 3.4Å; K36-E44 IonicContact NZ-OE1 2.87Å; K36-E44 PolarHBondContact NZ-OE1 2.89Å; K36-E44 IonicContact NZ-OE2 2.56Å; K36-E44 PolarHBondContact NZ-OE2 2.94Å
37N95.6Very high86Confident76 Ų7677.6 Ų77.641%0.40645%0.452SS..PPolyproline II helixtrans-65.9171.4171.966.236.5000110.4E39 D40 R41N37-E39 VanDerWaalsContact C-N 3.35Å; N37-E39 WeakPolarHBondContact CB-OE2 3.34Å; N37-E39 PolarHBondContact OD1-N 3.26Å; N37-E39 PolarHBondContact OD1-OE2 3.28Å; N37-D40 PolarHBondContact ND2-OD1 3.46Å; N37-D40 PolarHBondContact ND2-OD2 3.44Å; N37-D40 VanDerWaalsContact ND2-OD2 3.08Å; N37-D40 VanDerWaalsContact OD1-CB 3.26Å; N37-D40 WeakPolarHBondContact OD1-CB 3.46Å; N37-D40 PolarHBondContact OD1-N 3.26Å; N37-D40 PolarHBondContact OD1-OD1 3.43Å; N37-D40 PolarHBondContact OD1-OD2 3.43Å; N37-R41 WeakPolarHBondContact O-CB 3.3Å; N37-R41 VanDerWaalsContact O-CD 3.23Å; N37-R41 WeakPolarHBondContact O-CD 3.27Å; N37-R41 WeakPolarHBondContact O-CG 3.46Å; N37-R41 PolarHBondContact O-N 3.34Å
38L96.4Very high87.6Confident22 Ų2272.7 Ų72.712%0.11542%0.421CS..Hα-helixtrans-69.9-38.3-173.9-17660.1000111.5R41 E42 F118 M141 E150 V151L38-R41 PolarHBondContact O-N 3.01Å; L38-E42 VanDerWaalsContact O-CB 3.24Å; L38-E42 WeakPolarHBondContact O-CB 3.37Å; L38-E42 PolarHBondContact O-N 2.86Å; L38-F118 HydrophobicContact CD1-CE1 4.16Å; L38-F118 HydrophobicContact CD1-CZ 3.7Å; L38-M141 HydrophobicContact CD1-CE 4.43Å; L38-M141 HydrophobicContact CD1-SD 4.03Å; L38-M141 HydrophobicContact CD2-CE 4.42Å; L38-E150 HydrophobicContact CD2-CB 3.77Å; L38-V151 HydrophobicContact CD1-CG2 4.02Å; L38-V151 HydrophobicContact CD2-CG2 4.09Å
39E95.6Very high89.1Confident110 Ų11067.5 Ų67.551%0.51439%0.387SS..Hα-helixtrans-60.7-52.9-178.6-60.879.9179.300110.9N37 R41 E42 E43N37-E39 VanDerWaalsContact C-N 3.35Å; N37-E39 WeakPolarHBondContact CB-OE2 3.34Å; N37-E39 PolarHBondContact OD1-N 3.26Å; N37-E39 PolarHBondContact OD1-OE2 3.28Å; E39-R41 VanDerWaalsContact C-N 3.27Å; E39-R41 PolarHBondContact O-N 3.38Å; E39-E42 PolarHBondContact O-N 2.68Å; E39-E42 VanDerWaalsContact O-N 3.14Å; E39-E43 WeakPolarHBondContact O-CB 3.22Å; E39-E43 PolarHBondContact O-N 2.71Å
40D96.5Very high90.8Very high62 Ų6261.8 Ų61.833%0.33235%0.348SS..Hα-helixtrans-61.7-36.8177.8-59.8-16.5000111.3K36 N37 E42 E44K36-D40 HydrophobicContact CB-CB 4.22Å; K36-D40 HydrophobicContact CD-CB 4.23Å; N37-D40 PolarHBondContact ND2-OD1 3.46Å; N37-D40 PolarHBondContact ND2-OD2 3.44Å; N37-D40 VanDerWaalsContact ND2-OD2 3.08Å; N37-D40 VanDerWaalsContact OD1-CB 3.26Å; N37-D40 WeakPolarHBondContact OD1-CB 3.46Å; N37-D40 PolarHBondContact OD1-N 3.26Å; N37-D40 PolarHBondContact OD1-OD1 3.43Å; N37-D40 PolarHBondContact OD1-OD2 3.43Å; D40-E42 VanDerWaalsContact C-N 3.32Å; D40-E44 VanDerWaalsContact O-CB 3.32Å; D40-E44 WeakPolarHBondContact O-CB 3.34Å; D40-E44 VanDerWaalsContact O-CG 3.23Å; D40-E44 WeakPolarHBondContact O-CG 3.16Å; D40-E44 PolarHBondContact O-N 3.25Å
41R97.3Very high92.4Very high24 Ų2455.9 Ų55.99%0.09131%0.312CS..Hα-helixtrans-70-32.7179-74.116857.5-152.8-0.7112.3E35 K36 N37 L38 E39 A45 F118 S138 S139E35-R41 WeakPolarHBondContact OE1-CD 3.25Å; E35-R41 IonicContact OE1-CZ 2.69Å; E35-R41 IonicContact OE1-NE 3.12Å; E35-R41 PolarHBondContact OE1-NE 2.94Å; K36-R41 HydrophobicContact CB-CG 3.83Å; K36-R41 WeakPolarHBondContact O-CD 3.4Å; N37-R41 WeakPolarHBondContact O-CB 3.3Å; N37-R41 VanDerWaalsContact O-CD 3.23Å; N37-R41 WeakPolarHBondContact O-CD 3.27Å; N37-R41 WeakPolarHBondContact O-CG 3.46Å; N37-R41 PolarHBondContact O-N 3.34Å; L38-R41 PolarHBondContact O-N 3.01Å; E39-R41 VanDerWaalsContact C-N 3.27Å; E39-R41 PolarHBondContact O-N 3.38Å; R41-A45 VanDerWaalsContact O-CB 3.23Å; R41-A45 WeakPolarHBondContact O-CB 3.43Å; R41-A45 PolarHBondContact O-N 2.93Å; R41-F118 HydrophobicContact CB-CD1 4.48Å; R41-S138 PolarHBondContact NE-OG 2.89Å; R41-S139 PolarHBondContact NH2-O 2.91Å
42E96.1Very high93.9Very high5 Ų552.3 Ų52.32%0.02328%0.28CS..Hα-helixtrans-77.5-42.4178.5-174.9-74.4146.800110.3L38 E39 D40 E44 A45 K77 F118 C154 V155L38-E42 VanDerWaalsContact O-CB 3.24Å; L38-E42 WeakPolarHBondContact O-CB 3.37Å; L38-E42 PolarHBondContact O-N 2.86Å; E39-E42 PolarHBondContact O-N 2.68Å; E39-E42 VanDerWaalsContact O-N 3.14Å; D40-E42 VanDerWaalsContact C-N 3.32Å; E42-E44 PolarHBondContact O-N 2.84Å; E42-A45 PolarHBondContact O-N 3.08Å; E42-A45 VanDerWaalsContact O-O 3.09Å; E42-K77 VanDerWaalsContact CD-NZ 3.33Å; E42-K77 PolarHBondContact O-NZ 3.43Å; E42-K77 WeakPolarHBondContact OE1-CD 3.39Å; E42-K77 WeakPolarHBondContact OE1-CE 3.28Å; E42-K77 IonicContact OE1-NZ 2.71Å; E42-K77 PolarHBondContact OE1-NZ 3.31Å; E42-K77 IonicContact OE2-NZ 2.86Å; E42-F118 HydrophobicContact CB-CE1 4.28Å; E42-C154 HydrophobicContact CB-CB 4.3Å; E42-C154 HydrophobicContact CG-CB 3.93Å; E42-V155 HydrophobicContact CG-CG2 3.8Å; E42-V155 WeakPolarHBondContact OE1-CA 3.26Å; E42-V155 VanDerWaalsContact OE1-CG2 3.31Å; E42-V155 WeakPolarHBondContact OE1-CG2 3.43Å
43E95.4Very high94.9Very high126 Ų12647.4 Ų47.459%0.58925%0.246SC*.Hα-helixtrans-60.2-44.6174.1-175.1-179.3176.900111.2E39 A45E39-E43 WeakPolarHBondContact O-CB 3.22Å; E39-E43 PolarHBondContact O-N 2.71Å; E43-A45 VanDerWaalsContact C-N 3.26Å; E43-A45 PolarHBondContact O-N 3.05Å
44E95.4Very high95.3Very high81 Ų8146.7 Ų46.738%0.37924%0.239SC..THydrogen-bonded Turntrans-73.6-14.9179.9-72.1177.1-173.100114.2K36 D40 E42 N120K36-E44 IonicContact NZ-OE1 2.87Å; K36-E44 PolarHBondContact NZ-OE1 2.89Å; K36-E44 IonicContact NZ-OE2 2.56Å; K36-E44 PolarHBondContact NZ-OE2 2.94Å; D40-E44 VanDerWaalsContact O-CB 3.32Å; D40-E44 WeakPolarHBondContact O-CB 3.34Å; D40-E44 VanDerWaalsContact O-CG 3.23Å; D40-E44 WeakPolarHBondContact O-CG 3.16Å; D40-E44 PolarHBondContact O-N 3.25Å; E42-E44 PolarHBondContact O-N 2.84Å; E44-N120 PolarHBondContact O-ND2 3.27Å; E44-N120 PolarHBondContact O-OD1 2.89Å
45A95.3Very high95.7Very high0 Ų045.3 Ų45.30%022%0.221CC..  trans-100111.3-179.400000111.2R41 E42 E43 V47 V48 K77 F118R41-A45 VanDerWaalsContact O-CB 3.23Å; R41-A45 WeakPolarHBondContact O-CB 3.43Å; R41-A45 PolarHBondContact O-N 2.93Å; E42-A45 PolarHBondContact O-N 3.08Å; E42-A45 VanDerWaalsContact O-O 3.09Å; E43-A45 VanDerWaalsContact C-N 3.26Å; E43-A45 PolarHBondContact O-N 3.05Å; A45-V47 PolarHBondContact O-N 3.17Å; A45-V48 HydrophobicContact CB-CG2 4.17Å; A45-K77 WeakPolarHBondContact O-CD 3.4Å; A45-K77 WeakPolarHBondContact O-CE 3.4Å; A45-F118 HydrophobicContact CB-CB 3.93Å; A45-F118 HydrophobicContact CB-CD1 4.07Å
46N92.4Very high95.7Very high104 Ų10445.2 Ų45.256%0.55622%0.222SC*.SBendtrans-69.9-20.6176.4-68.8-68.9000113.1G78 L119 N120N46-G78 WeakPolarHBondContact O-CA 3.24Å; N46-L119 PolarHBondContact N-O 2.88Å; N46-N120 WeakPolarHBondContact CB-OD1 3.49Å; N46-N120 PolarHBondContact N-OD1 3.4Å; N46-N120 PolarHBondContact ND2-OD1 3.33Å
47V93.6Very high95.4Very high2 Ų242.9 Ų42.91%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-134.8129.9179.8173.20000109.6A45 L49 I82 L119 L134A45-V47 PolarHBondContact O-N 3.17Å; V47-L49 HydrophobicContact CG1-CD2 4.2Å; V47-I82 HydrophobicContact CG1-CD1 3.77Å; V47-I82 HydrophobicContact CG1-CG1 4.46Å; V47-I82 HydrophobicContact CG2-CD1 4.16Å; V47-I82 HydrophobicContact CG2-CG1 3.96Å; V47-L119 HydrophobicContact CB-CB 4.13Å; V47-L119 HydrophobicContact CG1-CB 4.34Å; V47-L119 HydrophobicContact CG1-CD1 4.38Å; V47-L119 PolarHBondContact N-O 2.76Å; V47-L119 PolarHBondContact O-N 2.79Å; V47-L134 HydrophobicContact CB-CD2 4.37Å; V47-L134 HydrophobicContact CG1-CD2 4.44Å; V47-L134 HydrophobicContact CG2-CD2 4.2Å
48V96.5Very high94.8Very high0 Ų044.9 Ų44.90%022%0.223CC..EExtended strand (participates in β ladder)trans-127.2127.4171.4-174.60000109A45 L76 K77 I116 F117 F118 V151A45-V48 HydrophobicContact CB-CG2 4.17Å; V48-L76 HydrophobicContact CB-CB 4.27Å; V48-L76 HydrophobicContact CG1-CB 4.12Å; V48-L76 HydrophobicContact CG1-CD1 4.15Å; V48-L76 PolarHBondContact O-N 3.35Å; V48-K77 HydrophobicContact CB-CB 3.88Å; V48-K77 HydrophobicContact CG2-CB 3.98Å; V48-K77 HydrophobicContact CG2-CD 4.32Å; V48-K77 PolarHBondContact N-O 3.03Å; V48-K77 VanDerWaalsContact N-O 3.15Å; V48-K77 PolarHBondContact O-N 2.83Å; V48-I116 HydrophobicContact CG1-CG2 3.82Å; V48-F117 WeakPolarHBondContact CA-O 3.3Å; V48-F118 HydrophobicContact CG1-CD1 4.39Å; V48-F118 HydrophobicContact CG1-CE1 4.26Å; V48-F118 HydrophobicContact CG2-CD1 3.84Å; V48-F118 HydrophobicContact CG2-CE1 4.15Å; V48-V151 HydrophobicContact CG1-CG1 3.94Å
49L95.8Very high94.2Very high0 Ų050.3 Ų50.30%025%0.249CC..EExtended strand (participates in β ladder)trans-143.7159.6-179.166.984.1000112.7V47 V72 R74 Y75 V94 I96 I116 F117 L119 L134V47-L49 HydrophobicContact CG1-CD2 4.2Å; L49-V72 HydrophobicContact CB-CG1 4.41Å; L49-V72 HydrophobicContact CD1-CG1 4.48Å; L49-V72 HydrophobicContact CD1-CG2 4.33Å; L49-V72 HydrophobicContact CD2-CG2 4.28Å; L49-R74 WeakPolarHBondContact CA-O 3.46Å; L49-Y75 HydrophobicContact CB-CD1 3.75Å; L49-Y75 HydrophobicContact CB-CE1 4.05Å; L49-Y75 HydrophobicContact CB-CG 4.46Å; L49-Y75 HydrophobicContact CD2-CD1 4.1Å; L49-Y75 HydrophobicContact CD2-CE1 3.56Å; L49-Y75 HydrophobicContact CG-CE1 4.47Å; L49-V94 HydrophobicContact CD2-CG2 4.34Å; L49-I96 HydrophobicContact CD1-CD1 4.49Å; L49-I116 WeakPolarHBondContact O-CA 3.17Å; L49-F117 HydrophobicContact CD1-CB 4.25Å; L49-F117 HydrophobicContact CD1-CD2 3.69Å; L49-F117 HydrophobicContact CD1-CE2 4.43Å; L49-F117 HydrophobicContact CD1-CG 4.29Å; L49-F117 HydrophobicContact CG-CB 4.44Å; L49-F117 PolarHBondContact N-O 3.3Å; L49-F117 VanDerWaalsContact N-O 3.13Å; L49-F117 PolarHBondContact O-N 3.44Å; L49-L119 HydrophobicContact CD2-CD1 3.69Å; L49-L119 HydrophobicContact CG-CD1 3.92Å; L49-L134 HydrophobicContact CD2-CD1 4.25Å
50T97.6Very high93.5Very high10 Ų1046.3 Ų46.36%0.06123%0.232CC..EExtended strand (participates in β ladder)trans-105.4141.3169.956.70000109.5W73 R74 L76 I116 I143 L148T50-W73 PolarHBondContact O-N 2.98Å; T50-R74 PolarHBondContact N-O 2.67Å; T50-R74 PolarHBondContact OG1-N 3.15Å; T50-R74 VanDerWaalsContact OG1-N 3.09Å; T50-R74 PolarHBondContact OG1-O 2.88Å; T50-L76 HydrophobicContact CG2-CD1 4.15Å; T50-L76 HydrophobicContact CG2-CG 4.44Å; T50-I116 HydrophobicContact CG2-CG1 4.21Å; T50-I143 HydrophobicContact CG2-CD1 3.71Å; T50-L148 HydrophobicContact CG2-CD2 3.76Å
51G96.9Very high92.8Very high0 Ų048.1 Ų48.10%025%0.246CC..EExtended strand (participates in β ladder)trans-170.5171.4178.900000114.1R71 T114 R115G51-R71 CarbonylContact C-O 3.55Å; G51-R71 WeakPolarHBondContact CA-O 3.48Å; G51-T114 VanDerWaalsContact O-CA 3.26Å; G51-T114 WeakPolarHBondContact O-CA 3.26Å; G51-T114 VanDerWaalsContact O-CG2 3.25Å; G51-T114 WeakPolarHBondContact O-CG2 3.47Å; G51-R115 PolarHBondContact N-O 3.29Å; G51-R115 VanDerWaalsContact N-O 3.16Å; G51-R115 PolarHBondContact O-N 3.36Å; G51-R115 VanDerWaalsContact O-N 3.08Å
52T97.6Very high92.2Very high20 Ų2052.3 Ų52.312%0.12327%0.274CS..EExtended strand (participates in β ladder)trans-114.7133176.2-52.40000110.1D54 V70 R71 W73 G112 D113 T114T52-D54 PolarHBondContact O-N 2.93Å; T52-V70 WeakPolarHBondContact O-CA 3.44Å; T52-R71 PolarHBondContact N-O 3.07Å; T52-R71 PolarHBondContact O-N 3.36Å; T52-W73 WeakPolarHBondContact OG1-CZ2 3.27Å; T52-W73 PolarHBondContact OG1-NE1 3.12Å; T52-G112 WeakPolarHBondContact CG2-O 3.3Å; T52-D113 CarbonylContact C-O 3.37Å; T52-D113 VanDerWaalsContact CA-O 3.27Å; T52-D113 WeakPolarHBondContact CA-O 3.12Å; T52-T114 PolarHBondContact OG1-OG1 2.81Å
53V97.4Very high91.6Very high1 Ų158.1 Ų58.11%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-67116.8174.9-179.50000109.5I56 C68 V70 V109 G112 D113 F117V53-I56 HydrophobicContact CG1-CG1 4.07Å; V53-C68 HydrophobicContact CG1-CB 4.15Å; V53-V70 HydrophobicContact CG2-CG2 4.27Å; V53-V109 HydrophobicContact CG2-CB 3.96Å; V53-V109 HydrophobicContact CG2-CG1 4.22Å; V53-V109 HydrophobicContact CG2-CG2 3.98Å; V53-G112 PolarHBondContact O-N 3.47Å; V53-D113 HydrophobicContact CG2-CB 4.4Å; V53-D113 PolarHBondContact N-O 2.93Å; V53-F117 HydrophobicContact CG2-CZ 4.34Å
54D94.8Very high91.3Very high46 Ų4660 Ų6025%0.24631%0.308CS..EExtended strand (participates in β ladder)trans-88.8-43.8179.5-162.938.3000110.7T52 K69 R71 K93 T111T52-D54 PolarHBondContact O-N 2.93Å; D54-K69 WeakPolarHBondContact CB-O 3.43Å; D54-K69 PolarHBondContact N-O 2.86Å; D54-R71 IonicContact OD1-CZ 3.55Å; D54-R71 IonicContact OD1-NH1 3.68Å; D54-R71 IonicContact OD1-NH2 2.68Å; D54-R71 PolarHBondContact OD1-NH2 3.47Å; D54-R71 IonicContact OD2-NH1 3.96Å; D54-K93 VanDerWaalsContact OD2-CE 3.3Å; D54-K93 WeakPolarHBondContact OD2-CE 3.28Å; D54-K93 IonicContact OD2-NZ 3.87Å; D54-K93 PolarHBondContact OD2-NZ 3.32Å; D54-T111 VanDerWaalsContact O-CG2 3.27Å; D54-T111 WeakPolarHBondContact O-CG2 3.43Å
55E94.6Very high91.2Very high94 Ų9456.5 Ų56.544%0.43929%0.292SS..EExtended strand (participates in β ladder)trans-151.8143.2-176-174177.1-170.600110.4C68 K69E55-C68 CarbonylContact O-C 3.51Å; E55-C68 VanDerWaalsContact O-CA 3.26Å; E55-C68 WeakPolarHBondContact O-CA 3.17Å; E55-K69 HydrophobicContact CB-CB 4.18Å; E55-K69 PolarHBondContact N-O 3.49Å; E55-K69 PolarHBondContact O-N 3.27Å
56I94.4Very high91.1Very high67 Ų6758.2 Ų58.234%0.34430%0.299SS..EExtended strand (participates in β ladder)trans-105.1126.5171.3-60.4174.2000107V53 Y66 V109V53-I56 HydrophobicContact CG1-CG1 4.07Å; I56-Y66 HydrophobicContact CG2-CD2 3.6Å; I56-Y66 HydrophobicContact CG2-CE2 3.88Å; I56-Y66 HydrophobicContact CG2-CG 4.48Å; I56-V109 WeakPolarHBondContact CD1-O 3.36Å
57F88.6Confident91.1Very high51 Ų5154 Ų5422%0.22428%0.275CS..EExtended strand (participates in β ladder)trans-150.6158-175.669.8-85.9000111.1Y67 K69 T95F57-Y67 PolarHBondContact N-O 3.05Å; F57-Y67 CarbonylContact O-C 3.46Å; F57-Y67 WeakPolarHBondContact O-CA 3.31Å; F57-Y67 WeakPolarHBondContact O-CB 3.25Å; F57-Y67 PolarHBondContact O-N 2.94Å; F57-K69 HydrophobicContact CD1-CB 4.32Å; F57-K69 HydrophobicContact CE1-CB 3.84Å; F57-T95 HydrophobicContact CE1-CG2 4.43Å; F57-T95 HydrophobicContact CZ-CG2 3.66Å
58N81.7Confident91.1Very high118 Ų11853.9 Ų53.963%0.63127%0.274SS*.EExtended strand (participates in β ladder)trans53.6124.6176.7-64.7-13.4000115.7Y66 Y67N58-Y66 WeakPolarHBondContact O-CA 3.43Å; N58-Y67 HydrophobicContact CB-CD2 4.24Å; N58-Y67 PolarHBondContact O-N 2.92Å; N58-Y67 VanDerWaalsContact O-N 3.13Å
59M85.3Confident90.9Very high135 Ų13555.7 Ų55.767%0.66528%0.282SS*.EExtended strand (participates in β ladder)trans-100.8130.8170.5-167.4-179.479.400108.9P61 T65M59-P61 VanDerWaalsContact O-CD 3.27Å; M59-P61 WeakPolarHBondContact O-CD 3.44Å; M59-T65 CarbonylContact C-O 3.5Å; M59-T65 WeakPolarHBondContact CA-O 3.37Å; M59-T65 WeakPolarHBondContact CG-O 3.39Å
60D81Confident90.8Very high27 Ų2755.7 Ų55.714%0.14428%0.282CS..EExtended strand (participates in β ladder)trans-75.6110.7164.8-179.1-17.4000108.3V62 H63 K64 T65 Y67D60-V62 VanDerWaalsContact C-N 3.26Å; D60-V62 PolarHBondContact O-N 3.16Å; D60-V62 WeakPolarHBondContact OD1-CB 3.37Å; D60-V62 PolarHBondContact OD1-N 2.93Å; D60-H63 PolarHBondContact OD1-N 3.1Å; D60-H63 IonicContact OD1-ND1 3.72Å; D60-H63 IonicContact OD2-CE1 3.82Å; D60-H63 IonicContact OD2-CG 3.54Å; D60-H63 IonicContact OD2-ND1 2.73Å; D60-H63 PolarHBondContact OD2-ND1 3.5Å; D60-K64 WeakPolarHBondContact O-CA 3.4Å; D60-K64 PolarHBondContact O-N 2.83Å; D60-T65 PolarHBondContact N-O 2.85Å; D60-T65 PolarHBondContact O-N 3.35Å; D60-Y67 HydrophobicContact CB-CE2 4.2Å
61P81.5Confident90.7Very high99 Ų9959.3 Ų59.364%0.64330%0.295SS*.THydrogen-bonded Turntrans-71.4-21.6-176.430.9-35.3000113M59M59-P61 VanDerWaalsContact O-CD 3.27Å; M59-P61 WeakPolarHBondContact O-CD 3.44Å
62V83.8Confident90.5Very high112 Ų11260 Ų6068%0.67930%0.299SS*.THydrogen-bonded Turntrans-79.9-51.3-177.1-179.80000109.8D60D60-V62 VanDerWaalsContact C-N 3.26Å; D60-V62 PolarHBondContact O-N 3.16Å; D60-V62 WeakPolarHBondContact OD1-CB 3.37Å; D60-V62 PolarHBondContact OD1-N 2.93Å
63H83.9Confident90.3Very high128 Ų12867 Ų6759%0.59332%0.323SS*.THydrogen-bonded Turntrans-92.3-5.6-176.8-56.1100.5000113.3D60 T65D60-H63 PolarHBondContact OD1-N 3.1Å; D60-H63 IonicContact OD1-ND1 3.72Å; D60-H63 IonicContact OD2-CE1 3.82Å; D60-H63 IonicContact OD2-CG 3.54Å; D60-H63 IonicContact OD2-ND1 2.73Å; D60-H63 PolarHBondContact OD2-ND1 3.5Å; H63-T65 HydrophobicContact CB-CG2 4.17Å; H63-T65 PolarHBondContact O-N 3.5Å
64K88.9Confident90.1Very high166 Ų16673.9 Ų73.972%0.72235%0.349SS*.THydrogen-bonded Turntrans54.433.6-175.4-56.4-179.7-179.3178.10112.4D60D60-K64 WeakPolarHBondContact O-CA 3.4Å; D60-K64 PolarHBondContact O-N 2.83Å
65T92.9Very high90Very high6 Ų673.7 Ų73.74%0.03735%0.345CS..EExtended strand (participates in β ladder)trans-103.9170.2174.755.60000109.7M59 D60 H63 F99 N101M59-T65 CarbonylContact C-O 3.5Å; M59-T65 WeakPolarHBondContact CA-O 3.37Å; M59-T65 WeakPolarHBondContact CG-O 3.39Å; D60-T65 PolarHBondContact N-O 2.85Å; D60-T65 PolarHBondContact O-N 3.35Å; H63-T65 HydrophobicContact CB-CG2 4.17Å; H63-T65 PolarHBondContact O-N 3.5Å; T65-F99 CarbonylContact C-O 3.59Å; T65-F99 WeakPolarHBondContact CA-O 3.3Å; T65-F99 WeakPolarHBondContact CB-O 3.23Å; T65-N101 HydrophobicContact CG2-CB 4.01Å
66Y93.4Very high90Very high37 Ų3770.4 Ų70.415%0.14533%0.33CS..EExtended strand (participates in β ladder)trans-134.1167.5175.162.2-88.4000111.7I56 N58 G98 F99 Q108 V109I56-Y66 HydrophobicContact CG2-CD2 3.6Å; I56-Y66 HydrophobicContact CG2-CE2 3.88Å; I56-Y66 HydrophobicContact CG2-CG 4.48Å; N58-Y66 WeakPolarHBondContact O-CA 3.43Å; Y66-G98 PolarHBondContact O-N 2.77Å; Y66-F99 HydrophobicContact CD1-CB 3.9Å; Y66-F99 WeakPolarHBondContact CD1-O 3.12Å; Y66-F99 HydrophobicContact CD2-CB 3.72Å; Y66-F99 HydrophobicContact CD2-CD2 4.39Å; Y66-F99 HydrophobicContact CD2-CG 4.33Å; Y66-F99 HydrophobicContact CE1-CB 3.53Å; Y66-F99 HydrophobicContact CE2-CB 3.36Å; Y66-F99 HydrophobicContact CE2-CD2 4.26Å; Y66-F99 AromaticContact CE2-CG 3.87Å; Y66-F99 HydrophobicContact CE2-CG 3.87Å; Y66-F99 HydrophobicContact CG-CB 4Å; Y66-F99 PolarHBondContact N-O 3.27Å; Y66-F99 PolarHBondContact O-N 3.01Å; Y66-Q108 VanDerWaalsContact CE1-OE1 3.27Å; Y66-Q108 PolarHBondContact OH-OE1 3.3Å; Y66-V109 HydrophobicContact CE2-CG2 4.14Å; Y66-V109 PolarHBondContact OH-N 3.46Å; Y66-V109 VanDerWaalsContact OH-N 3.16Å
67Y92.8Very high90Very high15 Ų1569 Ų696%0.05932%0.322CS..EExtended strand (participates in β ladder)trans-109.1153.8-179.8-62.4-97.2000111.4F57 N58 D60 T95 I96 E133 M135F57-Y67 PolarHBondContact N-O 3.05Å; F57-Y67 CarbonylContact O-C 3.46Å; F57-Y67 WeakPolarHBondContact O-CA 3.31Å; F57-Y67 WeakPolarHBondContact O-CB 3.25Å; F57-Y67 PolarHBondContact O-N 2.94Å; N58-Y67 HydrophobicContact CB-CD2 4.24Å; N58-Y67 PolarHBondContact O-N 2.92Å; N58-Y67 VanDerWaalsContact O-N 3.13Å; D60-Y67 HydrophobicContact CB-CE2 4.2Å; Y67-T95 HydrophobicContact CD1-CG2 4.11Å; Y67-I96 CarbonylContact C-O 3.56Å; Y67-I96 VanDerWaalsContact CA-O 3.3Å; Y67-I96 WeakPolarHBondContact CA-O 3.5Å; Y67-E133 WeakPolarHBondContact CE1-OE2 3.26Å; Y67-M135 HydrophobicContact CE1-SD 4.13Å
68C93.8Very high90Very high0 Ų067.4 Ų67.40%032%0.319CS..EExtended strand (participates in β ladder)trans-133.8143.7175-62.60000110.3V53 E55 V70 I96 F99V53-C68 HydrophobicContact CG1-CB 4.15Å; E55-C68 CarbonylContact O-C 3.51Å; E55-C68 VanDerWaalsContact O-CA 3.26Å; E55-C68 WeakPolarHBondContact O-CA 3.17Å; C68-V70 HydrophobicContact CB-CG2 4.16Å; C68-I96 PolarHBondContact N-O 3.13Å; C68-I96 PolarHBondContact O-N 3.04Å; C68-F99 HydrophobicContact CB-CD2 4.13Å; C68-F99 HydrophobicContact CB-CE2 3.57Å; C68-F99 HydrophobicContact CB-CZ 4.15Å; C68-F99 VanDerWaalsContact SG-CD2 3.56Å; C68-F99 VanDerWaalsContact SG-CE2 3.55Å
69K92.6Very high90.3Very high37 Ų3768.9 Ų68.916%0.16132%0.32CS..EExtended strand (participates in β ladder)trans-89122.4165.1-170.5177.9-75.2-177.30106.9D54 E55 F57 D89 K93D54-K69 WeakPolarHBondContact CB-O 3.43Å; D54-K69 PolarHBondContact N-O 2.86Å; E55-K69 HydrophobicContact CB-CB 4.18Å; E55-K69 PolarHBondContact N-O 3.49Å; E55-K69 PolarHBondContact O-N 3.27Å; F57-K69 HydrophobicContact CD1-CB 4.32Å; F57-K69 HydrophobicContact CE1-CB 3.84Å; K69-D89 IonicContact NZ-OD2 3.31Å; K69-D89 PolarHBondContact NZ-OD2 3.28Å; K69-K93 HydrophobicContact CD-CD 3.74Å; K69-K93 HydrophobicContact CG-CB 4.26Å; K69-K93 HydrophobicContact CG-CD 4.04Å
70V94.1Very high90Very high0 Ų068 Ų680%033%0.327CS..EExtended strand (participates in β ladder)trans-118.8127.8-175.9178.20000109.7T52 V53 C68 V72 K93 V94 I96 F117T52-V70 WeakPolarHBondContact O-CA 3.44Å; V53-V70 HydrophobicContact CG2-CG2 4.27Å; C68-V70 HydrophobicContact CB-CG2 4.16Å; V70-V72 PolarHBondContact O-N 3.33Å; V70-K93 CarbonylContact O-C 3.54Å; V70-K93 VanDerWaalsContact O-CA 3.26Å; V70-K93 WeakPolarHBondContact O-CA 3.24Å; V70-V94 HydrophobicContact CB-CG2 4.29Å; V70-V94 PolarHBondContact N-O 3.06Å; V70-V94 PolarHBondContact O-N 3.42Å; V70-I96 HydrophobicContact CB-CD1 3.99Å; V70-I96 HydrophobicContact CB-CG1 4.48Å; V70-I96 HydrophobicContact CG1-CD1 4.34Å; V70-I96 HydrophobicContact CG2-CB 4.5Å; V70-I96 HydrophobicContact CG2-CD1 3.8Å; V70-I96 HydrophobicContact CG2-CG1 4.22Å; V70-F117 HydrophobicContact CG1-CE2 3.93Å; V70-F117 HydrophobicContact CG1-CZ 4.11Å; V70-F117 HydrophobicContact CG2-CZ 4.27Å
71R93.9Very high89.6Confident87 Ų8770 Ų7033%0.32834%0.343SS..EExtended strand (participates in β ladder)trans-81.2112.8170.9-166.1-167.4-27.7-74.3-9.6108.5G51 T52 D54G51-R71 CarbonylContact C-O 3.55Å; G51-R71 WeakPolarHBondContact CA-O 3.48Å; T52-R71 PolarHBondContact N-O 3.07Å; T52-R71 PolarHBondContact O-N 3.36Å; D54-R71 IonicContact OD1-CZ 3.55Å; D54-R71 IonicContact OD1-NH1 3.68Å; D54-R71 IonicContact OD1-NH2 2.68Å; D54-R71 PolarHBondContact OD1-NH2 3.47Å; D54-R71 IonicContact OD2-NH1 3.96Å
72V93.3Very high89.1Confident14 Ų1466 Ų669%0.08532%0.316CS..EExtended strand (participates in β ladder)trans-77.5136.3-177-175.90000110.3L49 V70 Y75 N92 V94L49-V72 HydrophobicContact CB-CG1 4.41Å; L49-V72 HydrophobicContact CD1-CG1 4.48Å; L49-V72 HydrophobicContact CD1-CG2 4.33Å; L49-V72 HydrophobicContact CD2-CG2 4.28Å; V70-V72 PolarHBondContact O-N 3.33Å; V72-Y75 HydrophobicContact CG1-CD2 4.11Å; V72-Y75 HydrophobicContact CG1-CE1 4.26Å; V72-Y75 HydrophobicContact CG1-CE2 3.71Å; V72-N92 PolarHBondContact N-O 3.29Å; V72-V94 HydrophobicContact CG2-CB 4.31Å; V72-V94 HydrophobicContact CG2-CG1 3.79Å; V72-V94 HydrophobicContact CG2-CG2 3.6Å
73W93.9Very high88.1Confident166 Ų16665 Ų6563%0.62931%0.307SS*.EExtended strand (participates in β ladder)trans-98.7-59.1174.7-68.430.1000109.9T50 T52 T114T50-W73 PolarHBondContact O-N 2.98Å; T52-W73 WeakPolarHBondContact OG1-CZ2 3.27Å; T52-W73 PolarHBondContact OG1-NE1 3.12Å; W73-T114 HydrophobicContact CH2-CG2 4.34Å; W73-T114 HydrophobicContact CZ2-CG2 4.07Å
74R92.6Very high86.7Confident147 Ų14769.7 Ų69.756%0.55532%0.32SS*.EExtended strand (participates in β ladder)trans-147141.2179.2-176.2174.7173.8-152.4-7110.8L49 T50 L76 E152L49-R74 WeakPolarHBondContact CA-O 3.46Å; T50-R74 PolarHBondContact N-O 2.67Å; T50-R74 PolarHBondContact OG1-N 3.15Å; T50-R74 VanDerWaalsContact OG1-N 3.09Å; T50-R74 PolarHBondContact OG1-O 2.88Å; R74-L76 HydrophobicContact CG-CD2 4.39Å; R74-E152 IonicContact CZ-OE1 3.2Å; R74-E152 IonicContact NH1-OE1 2.7Å; R74-E152 PolarHBondContact NH1-OE1 2.69Å; R74-E152 IonicContact NH2-OE1 3.2Å; R74-E152 PolarHBondContact NH2-OE1 3.42Å
75Y93.3Very high84.8Confident42 Ų4266.5 Ų66.517%0.16531%0.314CS..EExtended strand (participates in β ladder)trans-86.2130166.4-66.8-83.7000109.1L49 V72 K79 I82L49-Y75 HydrophobicContact CB-CD1 3.75Å; L49-Y75 HydrophobicContact CB-CE1 4.05Å; L49-Y75 HydrophobicContact CB-CG 4.46Å; L49-Y75 HydrophobicContact CD2-CD1 4.1Å; L49-Y75 HydrophobicContact CD2-CE1 3.56Å; L49-Y75 HydrophobicContact CG-CE1 4.47Å; V72-Y75 HydrophobicContact CG1-CD2 4.11Å; V72-Y75 HydrophobicContact CG1-CE1 4.26Å; V72-Y75 HydrophobicContact CG1-CE2 3.71Å; Y75-K79 HydrophobicContact CD1-CB 4.48Å; Y75-K79 HydrophobicContact CD2-CB 4.24Å; Y75-K79 HydrophobicContact CD2-CD 3.92Å; Y75-K79 HydrophobicContact CD2-CG 3.7Å; Y75-K79 HydrophobicContact CE2-CG 4.26Å; Y75-K79 HydrophobicContact CG-CB 3.91Å; Y75-K79 HydrophobicContact CG-CD 4.36Å; Y75-K79 HydrophobicContact CG-CG 3.9Å; Y75-I82 HydrophobicContact CD1-CD1 3.73Å; Y75-I82 HydrophobicContact CE1-CD1 3.08Å
76L94.7Very high83.1Confident24 Ų2466.8 Ų66.813%0.12632%0.315CS..EExtended strand (participates in β ladder)trans-94.7-37.2173.9-54.5-179.3000110.1V48 T50 R74 I116 L148 V151 E152V48-L76 HydrophobicContact CB-CB 4.27Å; V48-L76 HydrophobicContact CG1-CB 4.12Å; V48-L76 HydrophobicContact CG1-CD1 4.15Å; V48-L76 PolarHBondContact O-N 3.35Å; T50-L76 HydrophobicContact CG2-CD1 4.15Å; T50-L76 HydrophobicContact CG2-CG 4.44Å; R74-L76 HydrophobicContact CG-CD2 4.39Å; L76-I116 HydrophobicContact CD1-CG2 4.15Å; L76-L148 HydrophobicContact CD1-CD2 4.22Å; L76-V151 HydrophobicContact CD1-CB 4.34Å; L76-V151 HydrophobicContact CD1-CG1 3.65Å; L76-E152 HydrophobicContact CD2-CG 4.12Å
77K93.8Very high81.4Confident38 Ų3868.5 Ų68.517%0.16533%0.326CS..EExtended strand (participates in β ladder)trans-139149.6176.4-179.5171.6-175.7170.70111.5E42 A45 V48 K79 V155 E158E42-K77 VanDerWaalsContact CD-NZ 3.33Å; E42-K77 PolarHBondContact O-NZ 3.43Å; E42-K77 WeakPolarHBondContact OE1-CD 3.39Å; E42-K77 WeakPolarHBondContact OE1-CE 3.28Å; E42-K77 IonicContact OE1-NZ 2.71Å; E42-K77 PolarHBondContact OE1-NZ 3.31Å; E42-K77 IonicContact OE2-NZ 2.86Å; A45-K77 WeakPolarHBondContact O-CD 3.4Å; A45-K77 WeakPolarHBondContact O-CE 3.4Å; V48-K77 HydrophobicContact CB-CB 3.88Å; V48-K77 HydrophobicContact CG2-CB 3.98Å; V48-K77 HydrophobicContact CG2-CD 4.32Å; V48-K77 PolarHBondContact N-O 3.03Å; V48-K77 VanDerWaalsContact N-O 3.15Å; V48-K77 PolarHBondContact O-N 2.83Å; K77-K79 PolarHBondContact O-N 2.82Å; K77-V155 HydrophobicContact CB-CG1 4.11Å; K77-V155 HydrophobicContact CB-CG2 4.11Å; K77-V155 HydrophobicContact CD-CG2 4.37Å; K77-V155 HydrophobicContact CG-CG1 4.45Å; K77-E158 IonicContact NZ-OE2 3.32Å; K77-E158 PolarHBondContact NZ-OE2 2.8Å
78G89.4Confident79.9Confident17 Ų1772.1 Ų72.118%0.17535%0.346CS..  trans74.917.9164.700000116.8N46 S80 S81N46-G78 WeakPolarHBondContact O-CA 3.24Å; G78-S80 VanDerWaalsContact C-N 3.27Å; G78-S80 PolarHBondContact O-N 2.81Å; G78-S81 WeakPolarHBondContact O-CB 3.36Å; G78-S81 PolarHBondContact O-N 2.85Å; G78-S81 VanDerWaalsContact O-N 3.12Å
79K86.6Confident78.3Confident150 Ų15076.3 Ų76.365%0.65237%0.369SS*.G310 helixtrans-56.3-39.2-179.6-173179.6-178.2-177.30113.1Y75 K77 S81Y75-K79 HydrophobicContact CD1-CB 4.48Å; Y75-K79 HydrophobicContact CD2-CB 4.24Å; Y75-K79 HydrophobicContact CD2-CD 3.92Å; Y75-K79 HydrophobicContact CD2-CG 3.7Å; Y75-K79 HydrophobicContact CE2-CG 4.26Å; Y75-K79 HydrophobicContact CG-CB 3.91Å; Y75-K79 HydrophobicContact CG-CD 4.36Å; Y75-K79 HydrophobicContact CG-CG 3.9Å; K77-K79 PolarHBondContact O-N 2.82Å; K79-S81 VanDerWaalsContact C-N 3.34Å
80S80.3Confident76.9Confident115 Ų11578.4 Ų78.480%0.80440%0.401SS*.G310 helixtrans-72-27.2-179.647.10000113.2G78 I82G78-S80 VanDerWaalsContact C-N 3.27Å; G78-S80 PolarHBondContact O-N 2.81Å; S80-I82 PolarHBondContact O-N 3.43Å
81S71.2Confident75.7Confident69 Ų6980.2 Ų80.248%0.48342%0.419SS..G310 helixtrans-74.3-15.7179.3-50.20000112.8G78 K79 N83G78-S81 WeakPolarHBondContact O-CB 3.36Å; G78-S81 PolarHBondContact O-N 2.85Å; G78-S81 VanDerWaalsContact O-N 3.12Å; K79-S81 VanDerWaalsContact C-N 3.34Å; S81-N83 PolarHBondContact O-N 3.25Å
82I72Confident75.1Confident16 Ų1679.4 Ų79.48%0.08242%0.422CS..SBendtrans-85.9109.7177.2-60.5170.4000107.9V47 Y75 S80 I86V47-I82 HydrophobicContact CG1-CD1 3.77Å; V47-I82 HydrophobicContact CG1-CG1 4.46Å; V47-I82 HydrophobicContact CG2-CD1 4.16Å; V47-I82 HydrophobicContact CG2-CG1 3.96Å; Y75-I82 HydrophobicContact CD1-CD1 3.73Å; Y75-I82 HydrophobicContact CE1-CD1 3.08Å; S80-I82 PolarHBondContact O-N 3.43Å; I82-I86 HydrophobicContact CG2-CB 3.92Å; I82-I86 HydrophobicContact CG2-CD1 3.67Å; I82-I86 HydrophobicContact CG2-CG1 4.29Å; I82-I86 HydrophobicContact CG2-CG2 4.22Å
83N62.6Low74.9Confident92 Ų9280.2 Ų80.249%0.49242%0.424SS..  trans-57.6141.8178.3-161.9-12.9000110.3S81 V85 I86S81-N83 PolarHBondContact O-N 3.25Å; N83-V85 PolarHBondContact O-N 2.79Å; N83-I86 PolarHBondContact O-N 2.85Å
84R55.3Low74.7Confident226 Ų22672.4 Ų72.485%0.85339%0.394SS*.G310 helixtrans-55.9-15.3179.3-66-173.8-166.3-153.73113.4I86R84-I86 VanDerWaalsContact C-N 3.33Å
85V48.9Very low74.6Confident98 Ų9866.1 Ų66.159%0.59437%0.372SS*.G310 helixtrans-70.8-22178.2-176.30000113.1N83 L87N83-V85 PolarHBondContact O-N 2.79Å; V85-L87 PolarHBondContact O-N 2.87Å
86I56.6Low74.6Confident12 Ų1264.1 Ų64.16%0.06237%0.365CS..G310 helixtrans-78-9.6-175.4-61.4170.5000112.8I82 N83 R84 L88 V94 L121 N132I82-I86 HydrophobicContact CG2-CB 3.92Å; I82-I86 HydrophobicContact CG2-CD1 3.67Å; I82-I86 HydrophobicContact CG2-CG1 4.29Å; I82-I86 HydrophobicContact CG2-CG2 4.22Å; N83-I86 PolarHBondContact O-N 2.85Å; R84-I86 VanDerWaalsContact C-N 3.33Å; I86-L88 VanDerWaalsContact C-N 3.35Å; I86-L88 PolarHBondContact O-N 3.18Å; I86-V94 HydrophobicContact CG2-CB 4.38Å; I86-V94 HydrophobicContact CG2-CG1 4.12Å; I86-L121 HydrophobicContact CD1-CD2 4.28Å; I86-N132 HydrophobicContact CD1-CB 3.83Å; I86-N132 WeakPolarHBondContact CD1-O 3.27Å; I86-N132 HydrophobicContact CG1-CB 3.51Å; I86-N132 WeakPolarHBondContact CG1-O 3.24Å
87L58.7Low74.5Confident74 Ų7463 Ų6339%0.38736%0.359SS..  trans-79.479-176.1-61.9-177.5000111.8V85 G91V85-L87 PolarHBondContact O-N 2.87Å; L87-G91 WeakPolarHBondContact CD2-O 3.46Å
88L60.1Low74.5Confident91 Ų9161.2 Ų61.248%0.47635%0.352SS..BIsolated β-bridgetrans-71.8151.5167.8-64.5170.8000110I86I86-L88 VanDerWaalsContact C-N 3.35Å; I86-L88 PolarHBondContact O-N 3.18Å
89D60.7Low74.8Confident87 Ų8760.4 Ų60.447%0.46534%0.343SS..THydrogen-bonded Turntrans54.154.2173.5-69.3-19.2000115.6K69 K93K69-D89 IonicContact NZ-OD2 3.31Å; K69-D89 PolarHBondContact NZ-OD2 3.28Å; D89-K93 HydrophobicContact CB-CB 4.47Å; D89-K93 HydrophobicContact CB-CD 3.75Å; D89-K93 HydrophobicContact CB-CG 4.21Å; D89-K93 IonicContact OD2-NZ 2.93Å; D89-K93 PolarHBondContact OD2-NZ 3.29Å
90G62.6Low75.2Confident82 Ų8254.2 Ų54.285%0.84532%0.322SS*.THydrogen-bonded Turntrans86.321.9165.300000116.1
91G69.9Low75.8Confident37 Ų3750.8 Ų50.838%0.38130%0.295SS..THydrogen-bonded Turntrans103.3-8.416400000116.5L87L87-G91 WeakPolarHBondContact CD2-O 3.46Å
92N81.3Confident76.9Confident71 Ų7152.9 Ų52.938%0.3831%0.306SS..THydrogen-bonded Turntrans-135.713.6-171.872.1-23.9000114.7V72V72-N92 PolarHBondContact N-O 3.29Å
93K88.9Confident77.8Confident31 Ų3163 Ų6314%0.13534%0.344CS..EExtended strand (participates in β ladder)trans-115.5144.9171.4-54-167.1-162.71740111.1D54 K69 V70 D89D54-K93 VanDerWaalsContact OD2-CE 3.3Å; D54-K93 WeakPolarHBondContact OD2-CE 3.28Å; D54-K93 IonicContact OD2-NZ 3.87Å; D54-K93 PolarHBondContact OD2-NZ 3.32Å; K69-K93 HydrophobicContact CD-CD 3.74Å; K69-K93 HydrophobicContact CG-CB 4.26Å; K69-K93 HydrophobicContact CG-CD 4.04Å; V70-K93 CarbonylContact O-C 3.54Å; V70-K93 VanDerWaalsContact O-CA 3.26Å; V70-K93 WeakPolarHBondContact O-CA 3.24Å; D89-K93 HydrophobicContact CB-CB 4.47Å; D89-K93 HydrophobicContact CB-CD 3.75Å; D89-K93 HydrophobicContact CB-CG 4.21Å; D89-K93 IonicContact OD2-NZ 2.93Å; D89-K93 PolarHBondContact OD2-NZ 3.29Å
94V89.1Confident79.4Confident1 Ų159.1 Ų59.11%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-132.3150.4177.7-60.20000109.9L49 V70 V72 I86 I96 L134L49-V94 HydrophobicContact CD2-CG2 4.34Å; V70-V94 HydrophobicContact CB-CG2 4.29Å; V70-V94 PolarHBondContact N-O 3.06Å; V70-V94 PolarHBondContact O-N 3.42Å; V72-V94 HydrophobicContact CG2-CB 4.31Å; V72-V94 HydrophobicContact CG2-CG1 3.79Å; V72-V94 HydrophobicContact CG2-CG2 3.6Å; I86-V94 HydrophobicContact CG2-CB 4.38Å; I86-V94 HydrophobicContact CG2-CG1 4.12Å; V94-I96 HydrophobicContact CG2-CD1 4.13Å; V94-I96 HydrophobicContact CG2-CG1 3.97Å; V94-L134 HydrophobicContact CB-CD1 4.34Å; V94-L134 HydrophobicContact CG2-CD1 4.36Å
95T90.5Very high81.3Confident15 Ų1550.6 Ų50.69%0.09230%0.297CS..EExtended strand (participates in β ladder)trans-90.9126.5170.3-61.80000109F57 Y67 E133 L134F57-T95 HydrophobicContact CE1-CG2 4.43Å; F57-T95 HydrophobicContact CZ-CG2 3.66Å; Y67-T95 HydrophobicContact CD1-CG2 4.11Å; T95-E133 HydrophobicContact CG2-CG 4.4Å; T95-L134 PolarHBondContact O-N 2.92Å
96I92.9Very high83.6Confident0 Ų048.9 Ų48.90%029%0.285CS..EExtended strand (participates in β ladder)trans-119.6128.9176.3-56.3-179.2000108.8L49 Y67 C68 V70 V94 F99 F117 L119 L134L49-I96 HydrophobicContact CD1-CD1 4.49Å; Y67-I96 CarbonylContact C-O 3.56Å; Y67-I96 VanDerWaalsContact CA-O 3.3Å; Y67-I96 WeakPolarHBondContact CA-O 3.5Å; C68-I96 PolarHBondContact N-O 3.13Å; C68-I96 PolarHBondContact O-N 3.04Å; V70-I96 HydrophobicContact CB-CD1 3.99Å; V70-I96 HydrophobicContact CB-CG1 4.48Å; V70-I96 HydrophobicContact CG1-CD1 4.34Å; V70-I96 HydrophobicContact CG2-CB 4.5Å; V70-I96 HydrophobicContact CG2-CD1 3.8Å; V70-I96 HydrophobicContact CG2-CG1 4.22Å; V94-I96 HydrophobicContact CG2-CD1 4.13Å; V94-I96 HydrophobicContact CG2-CG1 3.97Å; I96-F99 HydrophobicContact CB-CE2 3.8Å; I96-F99 HydrophobicContact CB-CZ 4.14Å; I96-F99 HydrophobicContact CG2-CE2 3.56Å; I96-F99 HydrophobicContact CG2-CZ 3.73Å; I96-F99 WeakPolarHBondContact O-CE2 3.48Å; I96-F117 HydrophobicContact CD1-CB 4.41Å; I96-F117 HydrophobicContact CD1-CD1 4.03Å; I96-F117 HydrophobicContact CD1-CE1 4.42Å; I96-F117 HydrophobicContact CD1-CG 4.09Å; I96-L119 HydrophobicContact CD1-CD1 3.69Å; I96-L119 HydrophobicContact CD1-CD2 4.26Å; I96-L119 HydrophobicContact CG1-CD1 4.2Å; I96-L119 HydrophobicContact CG2-CD2 3.61Å; I96-L134 CarbonylContact C-O 3.56Å; I96-L134 VanDerWaalsContact CA-O 3.24Å; I96-L134 WeakPolarHBondContact CA-O 3.43Å; I96-L134 HydrophobicContact CG1-CB 4.32Å
97G92.9Very high85.5Confident0 Ų049.3 Ų49.30%029%0.287CS..EExtended strand (participates in β ladder)trans-110.4178.2174.300000113.3L134 L136G97-L134 PolarHBondContact N-O 2.84Å; G97-L136 PolarHBondContact O-N 3.25Å
98G93.1Very high87.4Confident2 Ų250.9 Ų50.92%0.02129%0.292CS..EExtended strand (participates in β ladder)trans89.14.1175.200000115Y66 N101Y66-G98 PolarHBondContact O-N 2.77Å; G98-N101 WeakPolarHBondContact O-CB 3.46Å; G98-N101 PolarHBondContact O-N 2.98Å
99F96.6Very high89.2Confident0 Ų047.2 Ų47.20%027%0.274CS..EExtended strand (participates in β ladder)trans-64.2145.4172.2-62.6-82.7000111.1T65 Y66 C68 I96 N101 N107 V109 F117 L136 L140T65-F99 CarbonylContact C-O 3.59Å; T65-F99 WeakPolarHBondContact CA-O 3.3Å; T65-F99 WeakPolarHBondContact CB-O 3.23Å; Y66-F99 HydrophobicContact CD1-CB 3.9Å; Y66-F99 WeakPolarHBondContact CD1-O 3.12Å; Y66-F99 HydrophobicContact CD2-CB 3.72Å; Y66-F99 HydrophobicContact CD2-CD2 4.39Å; Y66-F99 HydrophobicContact CD2-CG 4.33Å; Y66-F99 HydrophobicContact CE1-CB 3.53Å; Y66-F99 HydrophobicContact CE2-CB 3.36Å; Y66-F99 HydrophobicContact CE2-CD2 4.26Å; Y66-F99 AromaticContact CE2-CG 3.87Å; Y66-F99 HydrophobicContact CE2-CG 3.87Å; Y66-F99 HydrophobicContact CG-CB 4Å; Y66-F99 PolarHBondContact N-O 3.27Å; Y66-F99 PolarHBondContact O-N 3.01Å; C68-F99 HydrophobicContact CB-CD2 4.13Å; C68-F99 HydrophobicContact CB-CE2 3.57Å; C68-F99 HydrophobicContact CB-CZ 4.15Å; C68-F99 VanDerWaalsContact SG-CD2 3.56Å; C68-F99 VanDerWaalsContact SG-CE2 3.55Å; I96-F99 HydrophobicContact CB-CE2 3.8Å; I96-F99 HydrophobicContact CB-CZ 4.14Å; I96-F99 HydrophobicContact CG2-CE2 3.56Å; I96-F99 HydrophobicContact CG2-CZ 3.73Å; I96-F99 WeakPolarHBondContact O-CE2 3.48Å; F99-N101 VanDerWaalsContact C-N 3.28Å; F99-N101 PolarHBondContact O-N 2.83Å; F99-N107 WeakPolarHBondContact CA-O 3.44Å; F99-V109 HydrophobicContact CD1-CG1 4.12Å; F99-V109 HydrophobicContact CD1-CG2 3.71Å; F99-V109 HydrophobicContact CE1-CB 4.41Å; F99-V109 HydrophobicContact CE1-CG1 3.75Å; F99-V109 HydrophobicContact CE1-CG2 3.72Å; F99-V109 HydrophobicContact CG-CG2 4.25Å; F99-V109 HydrophobicContact CZ-CG2 4.27Å; F99-F117 HydrophobicContact CE1-CD1 4.42Å; F99-F117 AromaticContact CE1-CE1 3.98Å; F99-F117 HydrophobicContact CE1-CE1 3.98Å; F99-F117 HydrophobicContact CZ-CD1 4.23Å; F99-F117 AromaticContact CZ-CE1 3.82Å; F99-F117 HydrophobicContact CZ-CE1 3.82Å; F99-L136 HydrophobicContact CD1-CD2 4.36Å; F99-L140 HydrophobicContact CE1-CD1 4.35Å; F99-L140 HydrophobicContact CE1-CD2 4.04Å
100G94.9Very high90.9Very high19 Ų1945.5 Ų45.520%0.19627%0.272CS..THydrogen-bonded Turntrans79.90.8-173.400000115.1P102 N107G100-P102 WeakPolarHBondContact O-CD 3.42Å; G100-N107 WeakPolarHBondContact CA-OD1 3.26Å; G100-N107 PolarHBondContact N-O 3.03Å
101N94Very high92.6Very high44 Ų4446 Ų4624%0.23526%0.259CS..  trans-63.2116.6179.3-179.9-11.2000111.2T65 G98 F99 R103 I104 N107T65-N101 HydrophobicContact CG2-CB 4.01Å; G98-N101 WeakPolarHBondContact O-CB 3.46Å; G98-N101 PolarHBondContact O-N 2.98Å; F99-N101 VanDerWaalsContact C-N 3.28Å; F99-N101 PolarHBondContact O-N 2.83Å; N101-R103 PolarHBondContact O-N 3.3Å; N101-R103 WeakPolarHBondContact OD1-CB 3.35Å; N101-R103 PolarHBondContact OD1-N 3.21Å; N101-I104 HydrophobicContact CB-CD1 4.28Å; N101-I104 HydrophobicContact CB-CG1 4.47Å; N101-I104 PolarHBondContact O-N 2.87Å; N101-N107 PolarHBondContact O-ND2 2.87Å
102P92.9Very high93.9Very high113 Ų11346.6 Ų46.673%0.73426%0.264SS*.THydrogen-bonded Turntrans-67.6-8.6-173.728.8-36.9000114.4G100 I104G100-P102 WeakPolarHBondContact O-CD 3.42Å; P102-I104 VanDerWaalsContact C-N 3.33Å
103R92.1Very high94.7Very high228 Ų22845.1 Ų45.186%0.8626%0.256SS*.THydrogen-bonded Turntrans-81.5-13.9173.7-60.3-176.6-176.61732.2113.3N101N101-R103 PolarHBondContact O-N 3.3Å; N101-R103 WeakPolarHBondContact OD1-CB 3.35Å; N101-R103 PolarHBondContact OD1-N 3.21Å
104I95.6Very high95.2Very high11 Ų1145.3 Ų45.36%0.05626%0.26CS..SBendtrans-106133.2-179.9-61.6177.2000108N101 P102 N107 L136 S139N101-I104 HydrophobicContact CB-CD1 4.28Å; N101-I104 HydrophobicContact CB-CG1 4.47Å; N101-I104 PolarHBondContact O-N 2.87Å; P102-I104 VanDerWaalsContact C-N 3.33Å; I104-N107 HydrophobicContact CB-CB 3.93Å; I104-N107 HydrophobicContact CG2-CB 3.88Å; I104-N107 PolarHBondContact O-ND2 3.14Å; I104-L136 HydrophobicContact CD1-CB 4.17Å; I104-L136 HydrophobicContact CD1-CD2 3.84Å; I104-L136 HydrophobicContact CD1-CG 3.84Å; I104-L136 HydrophobicContact CG2-CD2 4.3Å; I104-S139 VanDerWaalsContact CG2-CA 3.45Å
105C95.6Very high95.6Very high47 Ų4747.2 Ų47.232%0.31827%0.267SS..SBendtrans-71.8-56-172.6-55.80000113.3C33 E35 S139C33-C105 HydrophobicContact CB-CB 3.64Å; C33-C105 WeakPolarHBondContact CB-SG 3.37Å; C33-C105 WeakPolarHBondContact SG-CA 3.25Å; C33-C105 WeakPolarHBondContact SG-CB 3.49Å; C33-C105 CovalentContact SG-SG 2Å; C33-C105 PolarHBondContact SG-SG 3.34Å; E35-C105 VanDerWaalsContact OE2-CB 3.23Å; E35-C105 WeakPolarHBondContact OE2-CB 3.33Å; E35-C105 PolarHBondContact OE2-SG 3.29Å; C105-S139 WeakPolarHBondContact CB-OG 3.41Å; C105-S139 PolarHBondContact N-OG 3.39Å; C105-S139 VanDerWaalsContact N-OG 3.13Å
106D96.9Very high96Very high62 Ų6246.5 Ų46.533%0.33226%0.263SS..SBendtrans-101.697.9172-168.1-5.9000108.8S139 L140D106-S139 PolarHBondContact N-OG 3.47Å; D106-S139 WeakPolarHBondContact O-CA 3.46Å; D106-L140 HydrophobicContact CB-CB 4.48Å; D106-L140 WeakPolarHBondContact O-CG 3.23Å; D106-L140 PolarHBondContact O-N 2.72Å
107N96.8Very high96.3Very high20 Ų2046.5 Ų46.511%0.10726%0.263CS..  trans-127.95.9-169.768.139.5000113.8F99 G100 N101 I104 L136F99-N107 WeakPolarHBondContact CA-O 3.44Å; G100-N107 WeakPolarHBondContact CA-OD1 3.26Å; G100-N107 PolarHBondContact N-O 3.03Å; N101-N107 PolarHBondContact O-ND2 2.87Å; I104-N107 HydrophobicContact CB-CB 3.93Å; I104-N107 HydrophobicContact CG2-CB 3.88Å; I104-N107 PolarHBondContact O-ND2 3.14Å; N107-L136 HydrophobicContact CB-CD2 4.48Å
108Q96.9Very high96.5Very high107 Ų10746.5 Ų46.550%0.526%0.263SS..  trans-110.7143.8-175.1-64-66.35.900111.4Y66 L140Y66-Q108 VanDerWaalsContact CE1-OE1 3.27Å; Y66-Q108 PolarHBondContact OH-OE1 3.3Å; Q108-L140 WeakPolarHBondContact O-CD1 3.33Å
109V97.9Very high96.6Very high14 Ų1446.4 Ų46.49%0.08526%0.262CS..  trans-138.9156.3173.9-67.30000111.2V53 I56 Y66 F99 D113 L140V53-V109 HydrophobicContact CG2-CB 3.96Å; V53-V109 HydrophobicContact CG2-CG1 4.22Å; V53-V109 HydrophobicContact CG2-CG2 3.98Å; I56-V109 WeakPolarHBondContact CD1-O 3.36Å; Y66-V109 HydrophobicContact CE2-CG2 4.14Å; Y66-V109 PolarHBondContact OH-N 3.46Å; Y66-V109 VanDerWaalsContact OH-N 3.16Å; F99-V109 HydrophobicContact CD1-CG1 4.12Å; F99-V109 HydrophobicContact CD1-CG2 3.71Å; F99-V109 HydrophobicContact CE1-CB 4.41Å; F99-V109 HydrophobicContact CE1-CG1 3.75Å; F99-V109 HydrophobicContact CE1-CG2 3.72Å; F99-V109 HydrophobicContact CG-CG2 4.25Å; F99-V109 HydrophobicContact CZ-CG2 4.27Å; V109-D113 HydrophobicContact CB-CB 4.4Å; V109-L140 HydrophobicContact CG1-CD1 3.43Å; V109-L140 VanDerWaalsContact CG1-CD1 3.43Å
110A97.8Very high96.4Very high51 Ų5147.9 Ų47.942%0.42127%0.27SS..  trans-113.9161.2165.300000110.6G112 D113A110-G112 PolarHBondContact O-N 3.04Å; A110-D113 PolarHBondContact N-OD2 2.87Å; A110-D113 VanDerWaalsContact O-CB 3.25Å; A110-D113 WeakPolarHBondContact O-CB 3.36Å; A110-D113 PolarHBondContact O-N 3.38Å
111T98.1Very high96Very high94 Ų9451 Ų5158%0.57728%0.281SS*.THydrogen-bonded Turntrans-57.2132.8170.9-56.10000110.6D54 D113D54-T111 VanDerWaalsContact O-CG2 3.27Å; D54-T111 WeakPolarHBondContact O-CG2 3.43Å; T111-D113 VanDerWaalsContact C-N 3.34Å
112G97.8Very high95.3Very high48 Ų4849.7 Ų49.750%0.49528%0.277SS..THydrogen-bonded Turntrans88.6-9.7-174.700000114.7T52 V53 A110 T114T52-G112 WeakPolarHBondContact CG2-O 3.3Å; V53-G112 PolarHBondContact O-N 3.47Å; A110-G112 PolarHBondContact O-N 3.04Å; G112-T114 PolarHBondContact O-N 2.77Å
113D98.3Very high94.1Very high40 Ų4048.1 Ų48.121%0.21427%0.267CS..  trans-63134.8174.3-90.4-39.9000111.3T52 V53 V109 A110 T111 R115T52-D113 CarbonylContact C-O 3.37Å; T52-D113 VanDerWaalsContact CA-O 3.27Å; T52-D113 WeakPolarHBondContact CA-O 3.12Å; V53-D113 HydrophobicContact CG2-CB 4.4Å; V53-D113 PolarHBondContact N-O 2.93Å; V109-D113 HydrophobicContact CB-CB 4.4Å; A110-D113 PolarHBondContact N-OD2 2.87Å; A110-D113 VanDerWaalsContact O-CB 3.25Å; A110-D113 WeakPolarHBondContact O-CB 3.36Å; A110-D113 PolarHBondContact O-N 3.38Å; T111-D113 VanDerWaalsContact C-N 3.34Å; D113-R115 IonicContact OD1-CZ 3.4Å; D113-R115 VanDerWaalsContact OD1-CZ 3.31Å; D113-R115 IonicContact OD1-NH1 3.29Å; D113-R115 PolarHBondContact OD1-NH1 3.12Å; D113-R115 IonicContact OD1-NH2 3.64Å; D113-R115 PolarHBondContact OD1-NH2 2.93Å; D113-R115 IonicContact OD2-CZ 3.95Å; D113-R115 IonicContact OD2-NH2 2.67Å; D113-R115 PolarHBondContact OD2-NH2 2.96Å; D113-R115 VanDerWaalsContact OD2-NH2 3.12Å
114T97.9Very high92.5Very high36 Ų3646 Ų4622%0.22127%0.267CS..EExtended strand (participates in β ladder)trans-112.3128.3173.1-50.60000109.4G51 T52 W73 G112 I143G51-T114 VanDerWaalsContact O-CA 3.26Å; G51-T114 WeakPolarHBondContact O-CA 3.26Å; G51-T114 VanDerWaalsContact O-CG2 3.25Å; G51-T114 WeakPolarHBondContact O-CG2 3.47Å; T52-T114 PolarHBondContact OG1-OG1 2.81Å; W73-T114 HydrophobicContact CH2-CG2 4.34Å; W73-T114 HydrophobicContact CZ2-CG2 4.07Å; G112-T114 PolarHBondContact O-N 2.77Å; T114-I143 HydrophobicContact CG2-CG1 3.8Å
115R98.6Very high90.4Very high40 Ų4050.6 Ų50.615%0.15130%0.3CS..EExtended strand (participates in β ladder)trans-144.6163.5-173.8-60.2-66.9-174.9-80.7-8.9111.1G51 D113 F117 L140 M141G51-R115 PolarHBondContact N-O 3.29Å; G51-R115 VanDerWaalsContact N-O 3.16Å; G51-R115 PolarHBondContact O-N 3.36Å; G51-R115 VanDerWaalsContact O-N 3.08Å; D113-R115 IonicContact OD1-CZ 3.4Å; D113-R115 VanDerWaalsContact OD1-CZ 3.31Å; D113-R115 IonicContact OD1-NH1 3.29Å; D113-R115 PolarHBondContact OD1-NH1 3.12Å; D113-R115 IonicContact OD1-NH2 3.64Å; D113-R115 PolarHBondContact OD1-NH2 2.93Å; D113-R115 IonicContact OD2-CZ 3.95Å; D113-R115 IonicContact OD2-NH2 2.67Å; D113-R115 PolarHBondContact OD2-NH2 2.96Å; D113-R115 VanDerWaalsContact OD2-NH2 3.12Å; R115-F117 HydrophobicContact CB-CD2 4.38Å; R115-F117 HydrophobicContact CB-CE1 4.19Å; R115-F117 HydrophobicContact CB-CE2 3.9Å; R115-F117 HydrophobicContact CB-CZ 3.8Å; R115-F117 HydrophobicContact CG-CZ 4.49Å; R115-F117 WeakPolarHBondContact O-CD2 3.44Å; R115-F117 VanDerWaalsContact O-CE2 3.24Å; R115-F117 WeakPolarHBondContact O-CE2 3.34Å; R115-L140 HydrophobicContact CB-CD2 4.45Å; R115-L140 HydrophobicContact CG-CB 4.36Å; R115-M141 CarbonylContact C-O 3.6Å; R115-M141 WeakPolarHBondContact CA-O 3.47Å
116I98.4Very high88.5Confident0 Ų051.1 Ų51.10%030%0.302CS..EExtended strand (participates in β ladder)trans-91.2130.5160-45.1175.4000106.7V48 L49 T50 L76 F118 M141 I143 N147 L148 V151V48-I116 HydrophobicContact CG1-CG2 3.82Å; L49-I116 WeakPolarHBondContact O-CA 3.17Å; T50-I116 HydrophobicContact CG2-CG1 4.21Å; L76-I116 HydrophobicContact CD1-CG2 4.15Å; I116-F118 HydrophobicContact CG2-CE2 4.22Å; I116-M141 HydrophobicContact CB-CB 4.14Å; I116-M141 HydrophobicContact CD1-CB 4.42Å; I116-M141 HydrophobicContact CD1-CG 4.27Å; I116-M141 HydrophobicContact CD1-SD 4.44Å; I116-M141 PolarHBondContact N-O 2.91Å; I116-M141 PolarHBondContact O-N 3.21Å; I116-I143 HydrophobicContact CD1-CD1 4.41Å; I116-I143 HydrophobicContact CG1-CD1 3.49Å; I116-I143 VanDerWaalsContact CG1-CD1 3.49Å; I116-N147 HydrophobicContact CD1-CB 4.08Å; I116-L148 HydrophobicContact CD1-CD2 3.88Å; I116-L148 HydrophobicContact CD1-CG 4.42Å; I116-L148 HydrophobicContact CG1-CD2 4.29Å; I116-V151 HydrophobicContact CD1-CG2 4.33Å
117F98.2Very high86.3Confident0 Ų050.4 Ų50.40%031%0.309CS..EExtended strand (participates in β ladder)trans-114.9129.3-175.8-58.1-94.4000109.8V48 L49 V53 V70 I96 F99 R115 L119 L140V48-F117 WeakPolarHBondContact CA-O 3.3Å; L49-F117 HydrophobicContact CD1-CB 4.25Å; L49-F117 HydrophobicContact CD1-CD2 3.69Å; L49-F117 HydrophobicContact CD1-CE2 4.43Å; L49-F117 HydrophobicContact CD1-CG 4.29Å; L49-F117 HydrophobicContact CG-CB 4.44Å; L49-F117 PolarHBondContact N-O 3.3Å; L49-F117 VanDerWaalsContact N-O 3.13Å; L49-F117 PolarHBondContact O-N 3.44Å; V53-F117 HydrophobicContact CG2-CZ 4.34Å; V70-F117 HydrophobicContact CG1-CE2 3.93Å; V70-F117 HydrophobicContact CG1-CZ 4.11Å; V70-F117 HydrophobicContact CG2-CZ 4.27Å; I96-F117 HydrophobicContact CD1-CB 4.41Å; I96-F117 HydrophobicContact CD1-CD1 4.03Å; I96-F117 HydrophobicContact CD1-CE1 4.42Å; I96-F117 HydrophobicContact CD1-CG 4.09Å; F99-F117 HydrophobicContact CE1-CD1 4.42Å; F99-F117 AromaticContact CE1-CE1 3.98Å; F99-F117 HydrophobicContact CE1-CE1 3.98Å; F99-F117 HydrophobicContact CZ-CD1 4.23Å; F99-F117 AromaticContact CZ-CE1 3.82Å; F99-F117 HydrophobicContact CZ-CE1 3.82Å; R115-F117 HydrophobicContact CB-CD2 4.38Å; R115-F117 HydrophobicContact CB-CE1 4.19Å; R115-F117 HydrophobicContact CB-CE2 3.9Å; R115-F117 HydrophobicContact CB-CZ 3.8Å; R115-F117 HydrophobicContact CG-CZ 4.49Å; R115-F117 WeakPolarHBondContact O-CD2 3.44Å; R115-F117 VanDerWaalsContact O-CE2 3.24Å; R115-F117 WeakPolarHBondContact O-CE2 3.34Å; F117-L119 HydrophobicContact CB-CD1 3.91Å; F117-L119 HydrophobicContact CB-CD2 3.96Å; F117-L119 HydrophobicContact CB-CG 3.86Å; F117-L140 HydrophobicContact CD1-CD2 3.54Å; F117-L140 HydrophobicContact CE1-CD2 3.72Å; F117-L140 HydrophobicContact CG-CD2 4.49Å
118F97.9Very high84Confident0 Ų056.5 Ų56.50%034%0.341CS..EExtended strand (participates in β ladder)trans-103.4115.5173.4-66-96.3000108.5L38 R41 E42 A45 V48 I116 N137 S138 M141 V151L38-F118 HydrophobicContact CD1-CE1 4.16Å; L38-F118 HydrophobicContact CD1-CZ 3.7Å; R41-F118 HydrophobicContact CB-CD1 4.48Å; E42-F118 HydrophobicContact CB-CE1 4.28Å; A45-F118 HydrophobicContact CB-CB 3.93Å; A45-F118 HydrophobicContact CB-CD1 4.07Å; V48-F118 HydrophobicContact CG1-CD1 4.39Å; V48-F118 HydrophobicContact CG1-CE1 4.26Å; V48-F118 HydrophobicContact CG2-CD1 3.84Å; V48-F118 HydrophobicContact CG2-CE1 4.15Å; I116-F118 HydrophobicContact CG2-CE2 4.22Å; F118-N137 PolarHBondContact O-N 3.32Å; F118-S138 VanDerWaalsContact CB-OG 3.27Å; F118-S138 WeakPolarHBondContact CB-OG 3.23Å; F118-S138 WeakPolarHBondContact CG-OG 3.15Å; F118-M141 HydrophobicContact CE2-CB 4.14Å; F118-M141 HydrophobicContact CE2-SD 4.35Å; F118-M141 HydrophobicContact CZ-SD 4.41Å; F118-V151 HydrophobicContact CZ-CG2 3.94Å
119L95.6Very high81.8Confident0 Ų058.7 Ų58.70%036%0.356CS..EExtended strand (participates in β ladder)trans-134.1152.6-160.3-56173.7000112.2N46 V47 L49 I96 F117 L134 M135 L136N46-L119 PolarHBondContact N-O 2.88Å; V47-L119 HydrophobicContact CB-CB 4.13Å; V47-L119 HydrophobicContact CG1-CB 4.34Å; V47-L119 HydrophobicContact CG1-CD1 4.38Å; V47-L119 PolarHBondContact N-O 2.76Å; V47-L119 PolarHBondContact O-N 2.79Å; L49-L119 HydrophobicContact CD2-CD1 3.69Å; L49-L119 HydrophobicContact CG-CD1 3.92Å; I96-L119 HydrophobicContact CD1-CD1 3.69Å; I96-L119 HydrophobicContact CD1-CD2 4.26Å; I96-L119 HydrophobicContact CG1-CD1 4.2Å; I96-L119 HydrophobicContact CG2-CD2 3.61Å; F117-L119 HydrophobicContact CB-CD1 3.91Å; F117-L119 HydrophobicContact CB-CD2 3.96Å; F117-L119 HydrophobicContact CB-CG 3.86Å; L119-L134 HydrophobicContact CB-CB 4.33Å; L119-L134 HydrophobicContact CB-CD2 4.31Å; L119-L134 HydrophobicContact CD1-CB 4.04Å; L119-L134 HydrophobicContact CD1-CD1 3.82Å; L119-L134 HydrophobicContact CD1-CG 4.39Å; L119-M135 VanDerWaalsContact CA-O 3.3Å; L119-M135 WeakPolarHBondContact CA-O 3.47Å; L119-L136 HydrophobicContact CD2-CD1 4.16Å
120N92.6Very high79.7Confident32 Ų3261.1 Ų61.117%0.17137%0.366CS..EExtended strand (participates in β ladder)trans-128.4157.7167.5-79.1-37.2000110.6E44 N46 L134 M135 N137E44-N120 PolarHBondContact O-ND2 3.27Å; E44-N120 PolarHBondContact O-OD1 2.89Å; N46-N120 WeakPolarHBondContact CB-OD1 3.49Å; N46-N120 PolarHBondContact N-OD1 3.4Å; N46-N120 PolarHBondContact ND2-OD1 3.33Å; N120-L134 CarbonylContact O-C 3.53Å; N120-L134 WeakPolarHBondContact O-CA 3.37Å; N120-M135 PolarHBondContact N-O 2.88Å; N120-M135 PolarHBondContact O-N 2.77Å; N120-N137 PolarHBondContact ND2-ND2 2.8Å; N120-N137 VanDerWaalsContact ND2-ND2 3.15Å
121L86.4Confident77.6Confident83 Ų8364.7 Ų64.744%0.43537%0.372SS..EExtended strand (participates in β ladder)trans-65.9139.5169.7-67.5171.6000109.3I86 L134I86-L121 HydrophobicContact CD1-CD2 4.28Å; L121-L134 HydrophobicContact CD2-CD2 3.94Å
122A78.1Confident76Confident18 Ų1863.2 Ų63.215%0.14936%0.361CS..PPolyproline II helixtrans-56132.6172.200000109.5E133 M135A122-E133 HydrophobicContact CB-CB 4.22Å; A122-E133 WeakPolarHBondContact CB-O 3.23Å; A122-E133 PolarHBondContact N-O 3.08Å; A122-M135 HydrophobicContact CB-CG 3.91Å
123P67.8Low75.1Confident80 Ų8062.6 Ų62.652%0.51935%0.345SS..PPolyproline II helixtrans-62144-179.518.1-24.6000111S125 V126P123-S125 PolarHBondContact O-N 3.4Å; P123-V126 HydrophobicContact CG-CG2 4.19Å; P123-V126 WeakPolarHBondContact O-CG2 3.11Å; P123-V126 PolarHBondContact O-N 3.06Å
124E58.4Low74.7Confident182 Ų18260.7 Ų60.785%0.8534%0.335SS*.THydrogen-bonded Turntrans-60.2-11.6-175-60.4-165.2159.400114.8V126E124-V126 VanDerWaalsContact C-N 3.31Å
125S53.3Low74.5Confident108 Ų10861 Ų6176%0.75534%0.335SS*.THydrogen-bonded Turntrans-76.6-14.7176.657.10000114P123P123-S125 PolarHBondContact O-N 3.4Å
126V54.9Low74.4Confident58 Ų5859.7 Ų59.735%0.35233%0.33SS..SBendtrans-80.9117.4169-162.80000105.9P123 E124 H130P123-V126 HydrophobicContact CG-CG2 4.19Å; P123-V126 WeakPolarHBondContact O-CG2 3.11Å; P123-V126 PolarHBondContact O-N 3.06Å; E124-V126 VanDerWaalsContact C-N 3.31Å; V126-H130 HydrophobicContact CB-CB 4.34Å; V126-H130 HydrophobicContact CG1-CB 3.76Å
127G50.3Low74.2Confident47 Ų4762 Ų6249%0.48534%0.343SS..  trans-49.8166.3-164.700000115.9D129 H130G127-D129 PolarHBondContact O-N 3.29Å; G127-H130 PolarHBondContact O-N 3.15Å
128L48.3Very low74.2Confident149 Ų14962.4 Ų62.478%0.7835%0.345SS*.G310 helixtrans-43.3-28.4-172.2-78.9154.8000116H130 K131L128-H130 VanDerWaalsContact C-N 3.32Å; L128-H130 PolarHBondContact O-N 3.31Å; L128-K131 HydrophobicContact CD2-CD 4.38Å; L128-K131 WeakPolarHBondContact O-CB 3.32Å; L128-K131 PolarHBondContact O-N 3.38Å
129D50.9Low74.2Confident152 Ų15262.8 Ų62.881%0.81335%0.348SS*.G310 helixtrans-69.8-21.4178.8-61-36.1000114.5G127G127-D129 PolarHBondContact O-N 3.29Å
130H54.2Low74.4Confident65 Ų6563.1 Ų63.130%0.30135%0.35SS..G310 helixtrans-109.89.6-179.8-53.577000112.2V126 G127 L128 N132 E133V126-H130 HydrophobicContact CB-CB 4.34Å; V126-H130 HydrophobicContact CG1-CB 3.76Å; G127-H130 PolarHBondContact O-N 3.15Å; L128-H130 VanDerWaalsContact C-N 3.32Å; L128-H130 PolarHBondContact O-N 3.31Å; H130-N132 PolarHBondContact O-N 2.7Å; H130-E133 HydrophobicContact CB-CG 4.45Å; H130-E133 IonicContact CD2-OE1 2.7Å; H130-E133 IonicContact CD2-OE2 3.81Å; H130-E133 PolarHBondContact CD2-OE2 2.76Å; H130-E133 VanDerWaalsContact CD2-OE2 3.29Å; H130-E133 IonicContact CG-OE2 3.6Å; H130-E133 PolarHBondContact O-N 3.25Å
131K53.8Low74.6Confident127 Ų12762.8 Ų62.855%0.55235%0.348SS*.THydrogen-bonded Turntrans-63.7113.6177.7-160.3169.8-174.51720107.2L128L128-K131 HydrophobicContact CD2-CD 4.38Å; L128-K131 WeakPolarHBondContact O-CB 3.32Å; L128-K131 PolarHBondContact O-N 3.38Å
132N64.6Low75.1Confident63 Ų6367.1 Ų67.134%0.33736%0.358SS..THydrogen-bonded Turntrans96.121.3179.5-38.9-30.2000117I86 H130I86-N132 HydrophobicContact CD1-CB 3.83Å; I86-N132 WeakPolarHBondContact CD1-O 3.27Å; I86-N132 HydrophobicContact CG1-CB 3.51Å; I86-N132 WeakPolarHBondContact CG1-O 3.24Å; H130-N132 PolarHBondContact O-N 2.7Å
133E78.5Confident76Confident34 Ų3469.2 Ų69.216%0.15937%0.366CS..  trans-84149.3168.6-65.5-179.6165.300112.1Y67 T95 A122 H130Y67-E133 WeakPolarHBondContact CE1-OE2 3.26Å; T95-E133 HydrophobicContact CG2-CG 4.4Å; A122-E133 HydrophobicContact CB-CB 4.22Å; A122-E133 WeakPolarHBondContact CB-O 3.23Å; A122-E133 PolarHBondContact N-O 3.08Å; H130-E133 HydrophobicContact CB-CG 4.45Å; H130-E133 IonicContact CD2-OE1 2.7Å; H130-E133 IonicContact CD2-OE2 3.81Å; H130-E133 PolarHBondContact CD2-OE2 2.76Å; H130-E133 VanDerWaalsContact CD2-OE2 3.29Å; H130-E133 IonicContact CG-OE2 3.6Å; H130-E133 PolarHBondContact O-N 3.25Å
134L90.3Very high77.4Confident0 Ų068.2 Ų68.20%036%0.358CS..EExtended strand (participates in β ladder)trans-94.7136.7171.1-69.2168.5000109.3V47 L49 V94 T95 I96 G97 L119 N120 L121V47-L134 HydrophobicContact CB-CD2 4.37Å; V47-L134 HydrophobicContact CG1-CD2 4.44Å; V47-L134 HydrophobicContact CG2-CD2 4.2Å; L49-L134 HydrophobicContact CD2-CD1 4.25Å; V94-L134 HydrophobicContact CB-CD1 4.34Å; V94-L134 HydrophobicContact CG2-CD1 4.36Å; T95-L134 PolarHBondContact O-N 2.92Å; I96-L134 CarbonylContact C-O 3.56Å; I96-L134 VanDerWaalsContact CA-O 3.24Å; I96-L134 WeakPolarHBondContact CA-O 3.43Å; I96-L134 HydrophobicContact CG1-CB 4.32Å; G97-L134 PolarHBondContact N-O 2.84Å; L119-L134 HydrophobicContact CB-CB 4.33Å; L119-L134 HydrophobicContact CB-CD2 4.31Å; L119-L134 HydrophobicContact CD1-CB 4.04Å; L119-L134 HydrophobicContact CD1-CD1 3.82Å; L119-L134 HydrophobicContact CD1-CG 4.39Å; N120-L134 CarbonylContact O-C 3.53Å; N120-L134 WeakPolarHBondContact O-CA 3.37Å; L121-L134 HydrophobicContact CD2-CD2 3.94Å
135M93.1Very high79.2Confident44 Ų4465.9 Ų65.922%0.21735%0.351CS..EExtended strand (participates in β ladder)trans-115.8136.8-179.8-63.7-58.7-68.700110.4Y67 L119 N120 A122 N137Y67-M135 HydrophobicContact CE1-SD 4.13Å; L119-M135 VanDerWaalsContact CA-O 3.3Å; L119-M135 WeakPolarHBondContact CA-O 3.47Å; N120-M135 PolarHBondContact N-O 2.88Å; N120-M135 PolarHBondContact O-N 2.77Å; A122-M135 HydrophobicContact CB-CG 3.91Å; M135-N137 PolarHBondContact O-N 3.49Å
136L95.9Very high81.2Confident12 Ų1269 Ų696%0.06335%0.347CS..EExtended strand (participates in β ladder)trans-61.1124.8174.7-164.269.3000110.4G97 F99 I104 N107 L119 S138 L140G97-L136 PolarHBondContact O-N 3.25Å; F99-L136 HydrophobicContact CD1-CD2 4.36Å; I104-L136 HydrophobicContact CD1-CB 4.17Å; I104-L136 HydrophobicContact CD1-CD2 3.84Å; I104-L136 HydrophobicContact CD1-CG 3.84Å; I104-L136 HydrophobicContact CG2-CD2 4.3Å; N107-L136 HydrophobicContact CB-CD2 4.48Å; L119-L136 HydrophobicContact CD2-CD1 4.16Å; L136-S138 WeakPolarHBondContact CG-O 3.46Å; L136-L140 HydrophobicContact CD1-CD2 3.75Å; L136-L140 HydrophobicContact CD2-CD2 4.34Å; L136-L140 HydrophobicContact CD2-CG 4.42Å
137N96.3Very high83.2Confident49 Ų4967.7 Ų67.726%0.26234%0.338SS..  trans-99.3-44.9-178.7175.2-100000112.3F118 N120 M135F118-N137 PolarHBondContact O-N 3.32Å; N120-N137 PolarHBondContact ND2-ND2 2.8Å; N120-N137 VanDerWaalsContact ND2-ND2 3.15Å; M135-N137 PolarHBondContact O-N 3.49Å
138S97.6Very high85.4Confident8 Ų867.3 Ų67.36%0.05632%0.324CS..SBendtrans-137.2-178.9179.872.60000111.9R41 F118 L136R41-S138 PolarHBondContact NE-OG 2.89Å; F118-S138 VanDerWaalsContact CB-OG 3.27Å; F118-S138 WeakPolarHBondContact CB-OG 3.23Å; F118-S138 WeakPolarHBondContact CG-OG 3.15Å; L136-S138 WeakPolarHBondContact CG-O 3.46Å
139S98.1Very high87.7Confident7 Ų766.1 Ų66.15%0.04932%0.315CS..  trans-58146.3-174.7-79.30000113.4E35 R41 I104 C105 D106E35-S139 VanDerWaalsContact CD-CB 3.46Å; E35-S139 WeakPolarHBondContact OE1-CB 3.4Å; E35-S139 PolarHBondContact OE1-N 2.87Å; E35-S139 PolarHBondContact OE1-OG 3.04Å; E35-S139 VanDerWaalsContact OE2-CB 3.26Å; E35-S139 WeakPolarHBondContact OE2-CB 3.26Å; E35-S139 PolarHBondContact OE2-OG 3.16Å; R41-S139 PolarHBondContact NH2-O 2.91Å; I104-S139 VanDerWaalsContact CG2-CA 3.45Å; C105-S139 WeakPolarHBondContact CB-OG 3.41Å; C105-S139 PolarHBondContact N-OG 3.39Å; C105-S139 VanDerWaalsContact N-OG 3.13Å; D106-S139 PolarHBondContact N-OG 3.47Å; D106-S139 WeakPolarHBondContact O-CA 3.46Å
140L98.3Very high89.8Confident8 Ų863 Ų634%0.04230%0.295CS..  trans-63.1141.4171.3-59.9166.9000109.4F99 D106 Q108 V109 R115 F117 L136F99-L140 HydrophobicContact CE1-CD1 4.35Å; F99-L140 HydrophobicContact CE1-CD2 4.04Å; D106-L140 HydrophobicContact CB-CB 4.48Å; D106-L140 WeakPolarHBondContact O-CG 3.23Å; D106-L140 PolarHBondContact O-N 2.72Å; Q108-L140 WeakPolarHBondContact O-CD1 3.33Å; V109-L140 HydrophobicContact CG1-CD1 3.43Å; V109-L140 VanDerWaalsContact CG1-CD1 3.43Å; R115-L140 HydrophobicContact CB-CD2 4.45Å; R115-L140 HydrophobicContact CG-CB 4.36Å; F117-L140 HydrophobicContact CD1-CD2 3.54Å; F117-L140 HydrophobicContact CE1-CD2 3.72Å; F117-L140 HydrophobicContact CG-CD2 4.49Å; L136-L140 HydrophobicContact CD1-CD2 3.75Å; L136-L140 HydrophobicContact CD2-CD2 4.34Å; L136-L140 HydrophobicContact CD2-CG 4.42Å
141M97.9Very high91.8Very high25 Ų2559.9 Ų59.912%0.12328%0.281CS..EExtended strand (participates in β ladder)trans-118.3140.4176.6-169.5169.8-173.900109.9L38 R115 I116 F118 N147 V151L38-M141 HydrophobicContact CD1-CE 4.43Å; L38-M141 HydrophobicContact CD1-SD 4.03Å; L38-M141 HydrophobicContact CD2-CE 4.42Å; R115-M141 CarbonylContact C-O 3.6Å; R115-M141 WeakPolarHBondContact CA-O 3.47Å; I116-M141 HydrophobicContact CB-CB 4.14Å; I116-M141 HydrophobicContact CD1-CB 4.42Å; I116-M141 HydrophobicContact CD1-CG 4.27Å; I116-M141 HydrophobicContact CD1-SD 4.44Å; I116-M141 PolarHBondContact N-O 2.91Å; I116-M141 PolarHBondContact O-N 3.21Å; F118-M141 HydrophobicContact CE2-CB 4.14Å; F118-M141 HydrophobicContact CE2-SD 4.35Å; F118-M141 HydrophobicContact CZ-SD 4.41Å; M141-N147 HydrophobicContact CE-CB 3.51Å; M141-N147 HydrophobicContact CG-CB 4.2Å; M141-N147 HydrophobicContact SD-CB 4.28Å; M141-V151 HydrophobicContact CE-CG2 4.49Å; M141-V151 HydrophobicContact SD-CG2 3.98Å
142R96.9Very high93.7Very high174 Ų17456.1 Ų56.166%0.65727%0.265SS*.EExtended strand (participates in β ladder)trans-70.5149.3179.6-66.9-175178.7-157.1-0.6110.4T144 N147R142-T144 PolarHBondContact O-N 2.87Å; R142-N147 PolarHBondContact O-ND2 3.38Å
143I96.2Very high95.1Very high61 Ų6159.7 Ų59.731%0.31328%0.279SS..  trans-77.4110.1170.5-59.9-70.1000109T50 T114 I116 L148T50-I143 HydrophobicContact CG2-CD1 3.71Å; T114-I143 HydrophobicContact CG2-CG1 3.8Å; I116-I143 HydrophobicContact CD1-CD1 4.41Å; I116-I143 HydrophobicContact CG1-CD1 3.49Å; I116-I143 VanDerWaalsContact CG1-CD1 3.49Å; I143-L148 HydrophobicContact CD1-CD2 4.37Å; I143-L148 HydrophobicContact CG2-CD1 4.34Å
144T97.1Very high95.9Very high59 Ų5959 Ų5936%0.36228%0.278SS..  trans-141.4158167.769.80000107.7R142 R146 N147 L148R142-T144 PolarHBondContact O-N 2.87Å; T144-R146 VanDerWaalsContact C-N 3.32Å; T144-R146 PolarHBondContact O-N 3.13Å; T144-N147 PolarHBondContact O-N 2.49Å; T144-N147 VanDerWaalsContact OG1-CB 3.28Å; T144-N147 WeakPolarHBondContact OG1-CB 3.21Å; T144-N147 PolarHBondContact OG1-N 3.07Å; T144-N147 VanDerWaalsContact OG1-N 3.07Å; T144-N147 PolarHBondContact OG1-ND2 3.42Å; T144-N147 PolarHBondContact OG1-OD1 3.34Å; T144-L148 WeakPolarHBondContact O-CG 3.35Å; T144-L148 PolarHBondContact O-N 2.56Å
145L95.9Very high95.9Very high134 Ų13460.1 Ų60.170%0.70229%0.285SS*.Hα-helixtrans-58-46.9176.9-69.4175.3000111.4N147 L148 E149L145-N147 VanDerWaalsContact C-N 3.35Å; L145-N147 PolarHBondContact O-N 3.5Å; L145-L148 PolarHBondContact O-N 2.78Å; L145-L148 VanDerWaalsContact O-N 3.17Å; L145-E149 WeakPolarHBondContact O-CG 2.93Å; L145-E149 PolarHBondContact O-N 3.42Å
146R96.8Very high95.6Very high174 Ų17464.3 Ų64.366%0.65730%0.304SS*.Hα-helixtrans-54.3-49.4176.5179.6-178.9-63.8178.6-1.9112.3T144 L148 E149 E150T144-R146 VanDerWaalsContact C-N 3.32Å; T144-R146 PolarHBondContact O-N 3.13Å; R146-L148 VanDerWaalsContact C-N 3.29Å; R146-L148 PolarHBondContact O-N 2.87Å; R146-E149 PolarHBondContact O-N 3.04Å; R146-E150 WeakPolarHBondContact CD-OE1 2.96Å; R146-E150 HydrophobicContact CG-CG 4.34Å; R146-E150 WeakPolarHBondContact CG-OE1 3.12Å; R146-E150 WeakPolarHBondContact O-CB 3.33Å; R146-E150 VanDerWaalsContact O-CG 3.3Å; R146-E150 WeakPolarHBondContact O-CG 3.19Å; R146-E150 PolarHBondContact O-N 3.13Å
147N96.3Very high94.7Very high30 Ų3066.9 Ų66.916%0.1633%0.333CS..Hα-helixtrans-65.6-35.7-177.6-70.94.2000111.9I116 M141 R142 T144 L145 V151I116-N147 HydrophobicContact CD1-CB 4.08Å; M141-N147 HydrophobicContact CE-CB 3.51Å; M141-N147 HydrophobicContact CG-CB 4.2Å; M141-N147 HydrophobicContact SD-CB 4.28Å; R142-N147 PolarHBondContact O-ND2 3.38Å; T144-N147 PolarHBondContact O-N 2.49Å; T144-N147 VanDerWaalsContact OG1-CB 3.28Å; T144-N147 WeakPolarHBondContact OG1-CB 3.21Å; T144-N147 PolarHBondContact OG1-N 3.07Å; T144-N147 VanDerWaalsContact OG1-N 3.07Å; T144-N147 PolarHBondContact OG1-ND2 3.42Å; T144-N147 PolarHBondContact OG1-OD1 3.34Å; L145-N147 VanDerWaalsContact C-N 3.35Å; L145-N147 PolarHBondContact O-N 3.5Å; N147-V151 WeakPolarHBondContact O-CB 3.35Å; N147-V151 WeakPolarHBondContact O-CG2 3.47Å; N147-V151 PolarHBondContact O-N 3.5Å; N147-V151 VanDerWaalsContact O-N 3.1Å
148L96.6Very high93.1Very high38 Ų3869 Ų6920%0.19934%0.341CS..Hα-helixtrans-68.2-46.5176.9-70.3168.7000111T50 L76 I116 I143 T144 L145 R146 E150 V151 E152T50-L148 HydrophobicContact CG2-CD2 3.76Å; L76-L148 HydrophobicContact CD1-CD2 4.22Å; I116-L148 HydrophobicContact CD1-CD2 3.88Å; I116-L148 HydrophobicContact CD1-CG 4.42Å; I116-L148 HydrophobicContact CG1-CD2 4.29Å; I143-L148 HydrophobicContact CD1-CD2 4.37Å; I143-L148 HydrophobicContact CG2-CD1 4.34Å; T144-L148 WeakPolarHBondContact O-CG 3.35Å; T144-L148 PolarHBondContact O-N 2.56Å; L145-L148 PolarHBondContact O-N 2.78Å; L145-L148 VanDerWaalsContact O-N 3.17Å; R146-L148 VanDerWaalsContact C-N 3.29Å; R146-L148 PolarHBondContact O-N 2.87Å; L148-E150 PolarHBondContact O-N 2.78Å; L148-V151 PolarHBondContact O-N 2.91Å; L148-E152 WeakPolarHBondContact O-CB 3.43Å; L148-E152 WeakPolarHBondContact O-CG 3.27Å; L148-E152 PolarHBondContact O-N 2Å
149E95.5Very high91.1Very high125 Ų12576.1 Ų76.158%0.58437%0.374SS*.Hα-helixtrans-60.4-44.4177.1-71.5168.9-177.500111.6L145 R146 E152 H153L145-E149 WeakPolarHBondContact O-CG 2.93Å; L145-E149 PolarHBondContact O-N 3.42Å; R146-E149 PolarHBondContact O-N 3.04Å; E149-E152 PolarHBondContact O-N 2.94Å; E149-H153 VanDerWaalsContact O-CB 3.28Å; E149-H153 WeakPolarHBondContact O-CB 3.4Å; E149-H153 PolarHBondContact O-N 3.16Å
150E95.9Very high88.8Confident86 Ų8685.3 Ų85.340%0.40243%0.433SS..Hα-helixtrans-62.1-45.1177.4-74.2171.3-17500111.6L38 R146 L148 H153 C154L38-E150 HydrophobicContact CD2-CB 3.77Å; R146-E150 WeakPolarHBondContact CD-OE1 2.96Å; R146-E150 HydrophobicContact CG-CG 4.34Å; R146-E150 WeakPolarHBondContact CG-OE1 3.12Å; R146-E150 WeakPolarHBondContact O-CB 3.33Å; R146-E150 VanDerWaalsContact O-CG 3.3Å; R146-E150 WeakPolarHBondContact O-CG 3.19Å; R146-E150 PolarHBondContact O-N 3.13Å; L148-E150 PolarHBondContact O-N 2.78Å; E150-H153 PolarHBondContact O-N 2.99Å; E150-C154 PolarHBondContact O-N 2.73Å; E150-C154 PolarHBondContact O-SG 3.35Å; E150-C154 VanDerWaalsContact O-SG 3.33Å
151V96.2Very high88.4Confident0 Ų089.2 Ų89.20%045%0.453CS..Hα-helixtrans-67-46178.1172.60000111.5L38 V48 L76 I116 F118 M141 N147 L148 H153 C154 V155L38-V151 HydrophobicContact CD1-CG2 4.02Å; L38-V151 HydrophobicContact CD2-CG2 4.09Å; V48-V151 HydrophobicContact CG1-CG1 3.94Å; L76-V151 HydrophobicContact CD1-CB 4.34Å; L76-V151 HydrophobicContact CD1-CG1 3.65Å; I116-V151 HydrophobicContact CD1-CG2 4.33Å; F118-V151 HydrophobicContact CZ-CG2 3.94Å; M141-V151 HydrophobicContact CE-CG2 4.49Å; M141-V151 HydrophobicContact SD-CG2 3.98Å; N147-V151 WeakPolarHBondContact O-CB 3.35Å; N147-V151 WeakPolarHBondContact O-CG2 3.47Å; N147-V151 PolarHBondContact O-N 3.5Å; N147-V151 VanDerWaalsContact O-N 3.1Å; L148-V151 PolarHBondContact O-N 2.91Å; V151-H153 VanDerWaalsContact C-N 3.29Å; V151-H153 PolarHBondContact O-N 3Å; V151-C154 PolarHBondContact O-N 3.25Å; V151-V155 HydrophobicContact CG1-CG2 4.38Å; V151-V155 VanDerWaalsContact O-CG2 3.25Å; V151-V155 WeakPolarHBondContact O-CG2 3.4Å; V151-V155 PolarHBondContact O-N 2.96Å
152E94.3Very high87.9Confident48 Ų4892.5 Ų92.522%0.22447%0.47CS..Hα-helixtrans-59.5-41.9177.5-74.8-179.9158.600110.8R74 L76 L148 E149 V155 E156R74-E152 IonicContact CZ-OE1 3.2Å; R74-E152 IonicContact NH1-OE1 2.7Å; R74-E152 PolarHBondContact NH1-OE1 2.69Å; R74-E152 IonicContact NH2-OE1 3.2Å; R74-E152 PolarHBondContact NH2-OE1 3.42Å; L76-E152 HydrophobicContact CD2-CG 4.12Å; L148-E152 WeakPolarHBondContact O-CB 3.43Å; L148-E152 WeakPolarHBondContact O-CG 3.27Å; L148-E152 PolarHBondContact O-N 2Å; E149-E152 PolarHBondContact O-N 2.94Å; E152-V155 PolarHBondContact O-N 3.26Å; E152-E156 WeakPolarHBondContact O-CB 3.21Å; E152-E156 WeakPolarHBondContact O-CG 3.4Å; E152-E156 PolarHBondContact O-N 3.02Å
153H94.2Very high87.4Confident138 Ų13888 Ų8864%0.63946%0.46SS*.Hα-helixtrans-64.3-40.5176.8-176.4-78.4000113.1E149 E150 V151 G157E149-H153 VanDerWaalsContact O-CB 3.28Å; E149-H153 WeakPolarHBondContact O-CB 3.4Å; E149-H153 PolarHBondContact O-N 3.16Å; E150-H153 PolarHBondContact O-N 2.99Å; V151-H153 VanDerWaalsContact C-N 3.29Å; V151-H153 PolarHBondContact O-N 3Å; H153-G157 PolarHBondContact O-N 2.84Å
154C94.1Very high86.9Confident19 Ų1989.6 Ų89.613%0.12847%0.468CS..Hα-helixtrans-61.1-45.5173.9-700000111.3E42 E150 V151 G157 E158E42-C154 HydrophobicContact CB-CB 4.3Å; E42-C154 HydrophobicContact CG-CB 3.93Å; E150-C154 PolarHBondContact O-N 2.73Å; E150-C154 PolarHBondContact O-SG 3.35Å; E150-C154 VanDerWaalsContact O-SG 3.33Å; V151-C154 PolarHBondContact O-N 3.25Å; C154-G157 PolarHBondContact O-N 2.88Å; C154-E158 PolarHBondContact O-N 3.11Å
155V90.4Very high86.2Confident23 Ų2391.5 Ų91.514%0.13948%0.475CS..Hα-helixtrans-63.9-43.8179.51760000111.8E42 K77 V151 E152 E158E42-V155 HydrophobicContact CG-CG2 3.8Å; E42-V155 WeakPolarHBondContact OE1-CA 3.26Å; E42-V155 VanDerWaalsContact OE1-CG2 3.31Å; E42-V155 WeakPolarHBondContact OE1-CG2 3.43Å; K77-V155 HydrophobicContact CB-CG1 4.11Å; K77-V155 HydrophobicContact CB-CG2 4.11Å; K77-V155 HydrophobicContact CD-CG2 4.37Å; K77-V155 HydrophobicContact CG-CG1 4.45Å; V151-V155 HydrophobicContact CG1-CG2 4.38Å; V151-V155 VanDerWaalsContact O-CG2 3.25Å; V151-V155 WeakPolarHBondContact O-CG2 3.4Å; V151-V155 PolarHBondContact O-N 2.96Å; E152-V155 PolarHBondContact O-N 3.26Å; V155-E158 PolarHBondContact O-N 2.76Å
156E87.5Confident85.6Confident133 Ų13388.7 Ų88.762%0.62146%0.46SS*.Hα-helixtrans-69.9-35.5179.9-72.5176.5-176.700112.4E152 E158 E159E152-E156 WeakPolarHBondContact O-CB 3.21Å; E152-E156 WeakPolarHBondContact O-CG 3.4Å; E152-E156 PolarHBondContact O-N 3.02Å; E156-E158 PolarHBondContact O-N 2.68Å; E156-E159 PolarHBondContact O-N 3.02Å
157G76.6Confident84.8Confident66 Ų6682.6 Ų82.668%0.6845%0.446SS*.Hα-helixtrans-69.1-13.2178.100000114.5H153 C154H153-G157 PolarHBondContact O-N 2.84Å; C154-G157 PolarHBondContact O-N 2.88Å
158E63Low83.9Confident92 Ų9286.6 Ų86.643%0.4347%0.468SS..THydrogen-bonded Turntrans-89.7-9.8176.1-153.8-176.5-179.700112.8K77 C154 V155 E156 P160K77-E158 IonicContact NZ-OE2 3.32Å; K77-E158 PolarHBondContact NZ-OE2 2.8Å; C154-E158 PolarHBondContact O-N 3.11Å; V155-E158 PolarHBondContact O-N 2.76Å; E156-E158 PolarHBondContact O-N 2.68Å; E158-P160 WeakPolarHBondContact O-CD 3.3Å
159E54.5Low82.8Confident159 Ų15990.7 Ų90.774%0.74349%0.49SS*.  trans-72.5114.3175.7-64.8-164.1162.200110.8E156E156-E159 PolarHBondContact O-N 3.02Å
160P51.5Low81.7Confident199 Ų19987.5 Ų87.5100%1.29248%0.482SS*.  trans-78.7017732.5-34.3000114.1E158E158-P160 WeakPolarHBondContact O-CD 3.3Å

Retrieved 160 of 160 residues in 277.2 ms (Link to these results)