SF3B1_HUMAN Loading...

Isoform 2 of Splicing factor 3B subunit 1 AlphaSync

Canonical isoform description: Component of the 17S U2 SnRNP complex of the spliceosome, a large ribonucleoprotein complex that removes introns from transcribed pre-mRNAs1,2,3,4,5. The 17S U2 SnRNP complex (1) directly participates in early spliceosome assembly and (2) mediates recognition of the intron branch site during pre-mRNA splicing by promoting the selection of the pre-mRNA branch-site adenosine, the nucleophile for the first step of splicing6,7,8. Within the 17S U2 SnRNP complex, SF3B1 is part of the SF3B subcomplex, which is required for 'A' complex assembly formed by the stable binding of U2 snRNP to the branchpoint sequence in pre-mRNA9,10. Sequence independent binding of SF3A and SF3B subcomplexes upstream of the branch site is essential, it may anchor U2 snRNP to the pre-mRNA11. May also be involved in the assembly of the 'E' complex12. Also acts as a component of the minor spliceosome, which is involved in the splicing of U12-type introns in pre-mRNAs13,14. Together with other U2 snRNP complex components may also play a role in the selective processing of microRNAs (miRNAs) from the long primary miRNA transcript, pri-miR-17-92 (By similarity).

AlphaFold DB , UniProt , Accession O75533-2 (canonical: O75533), Species HUMAN (Homo sapiens, Human), Gene SF3B1, Length 144 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.5Very low75.4Confident242 Ų242129.3 Ų129.3100%1.19266%0.66SS**  0114.40-75.5174.115700108K3M1-K3 PolarHBondContact O-N 3.38Å
2A64.1Low76.5Confident95 Ų95125.8 Ų125.879%0.78564%0.639SS**PPolyproline II helixtrans-63.3128177.900000109.2I4A2-I4 PolarHBondContact O-N 3.2Å
3K70.4Confident77.4Confident202 Ų202119.8 Ų119.888%0.87862%0.62SS**PPolyproline II helixtrans-63.6121.9172.9-71.5177.21801760107.1M1 A5M1-K3 PolarHBondContact O-N 3.38Å; K3-A5 PolarHBondContact O-N 2.93Å
4I73.8Confident78Confident148 Ų148117.7 Ų117.776%0.75961%0.606SS**PPolyproline II helixtrans-60.5121.9175.6-66.3152.9000107.7A2 K6A2-I4 PolarHBondContact O-N 3.2Å; I4-K6 PolarHBondContact O-N 3.19Å
5A74.3Confident78.6Confident24 Ų24115.3 Ų115.320%0.19859%0.594CS.*PPolyproline II helixtrans-60125.1173.400000109.3K3 D10 I11K3-A5 PolarHBondContact O-N 2.93Å; A5-D10 HydrophobicContact CB-CB 3.65Å; A5-I11 HydrophobicContact CB-CG1 3.86Å
6K77.8Confident79.1Confident190 Ų190118.3 Ų118.383%0.82660%0.595SS**  trans-110.4-18.4-176.6-73.7-175.4179.1-178.40113.4I4I4-K6 PolarHBondContact O-N 3.19Å
7T83.9Confident79.6Confident71 Ų71117.5 Ų117.544%0.43659%0.589SS.*SBendtrans-107.1155.3179.373.70000110.6E9 D10 I11T7-E9 PolarHBondContact O-N 3.09Å; T7-D10 PolarHBondContact N-OD2 3.26Å; T7-D10 PolarHBondContact O-N 3.39Å; T7-D10 PolarHBondContact OG1-N 2.87Å; T7-D10 PolarHBondContact OG1-OD2 3.23Å; T7-I11 WeakPolarHBondContact O-CG1 3.37Å; T7-I11 PolarHBondContact O-N 3.34Å; T7-I11 VanDerWaalsContact O-N 3.16Å
8H83.6Confident79.9Confident141 Ų141116.4 Ų116.465%0.65358%0.584SS**Hα-helixtrans-58.6-39.5178.4-172.762.9000111.8I11 E12H8-I11 PolarHBondContact O-N 3.49Å; H8-E12 IonicContact CD2-OE1 2.62Å; H8-E12 IonicContact CE1-OE1 3.15Å; H8-E12 IonicContact NE2-OE1 3.66Å; H8-E12 PolarHBondContact NE2-OE1 2.91Å; H8-E12 VanDerWaalsContact NE2-OE1 3.15Å; H8-E12 WeakPolarHBondContact O-CG 3.15Å; H8-E12 PolarHBondContact O-N 2.62Å
9E86.4Confident80.2Confident154 Ų154117.1 Ų117.172%0.7259%0.585SS**Hα-helixtrans-63.6-42.4177.9-171176.3-178.600112.3T7 I11 E12 A13T7-E9 PolarHBondContact O-N 3.09Å; E9-I11 VanDerWaalsContact C-N 3.32Å; E9-I11 PolarHBondContact O-N 2.66Å; E9-E12 PolarHBondContact O-N 3.43Å; E9-A13 WeakPolarHBondContact O-CB 3.06Å; E9-A13 PolarHBondContact O-N 3.36Å
10D85.4Confident80.3Confident81 Ų81113.4 Ų113.443%0.43358%0.578SS.*Hα-helixtrans-63.5-38.6176.3-64.2-41.1000111.8A5 T7 Q14A5-D10 HydrophobicContact CB-CB 3.65Å; T7-D10 PolarHBondContact N-OD2 3.26Å; T7-D10 PolarHBondContact O-N 3.39Å; T7-D10 PolarHBondContact OG1-N 2.87Å; T7-D10 PolarHBondContact OG1-OD2 3.23Å; D10-Q14 WeakPolarHBondContact O-CB 3.43Å; D10-Q14 PolarHBondContact O-N 3.42Å
11I86.2Confident80.3Confident74 Ų74113.8 Ų113.838%0.37958%0.576SS.*Hα-helixtrans-66.5-45.2178.2-65.6166.2000109.9A5 T7 H8 E9 A13 Q14 I15A5-I11 HydrophobicContact CB-CG1 3.86Å; T7-I11 WeakPolarHBondContact O-CG1 3.37Å; T7-I11 PolarHBondContact O-N 3.34Å; T7-I11 VanDerWaalsContact O-N 3.16Å; H8-I11 PolarHBondContact O-N 3.49Å; E9-I11 VanDerWaalsContact C-N 3.32Å; E9-I11 PolarHBondContact O-N 2.66Å; I11-A13 PolarHBondContact O-N 3.17Å; I11-Q14 PolarHBondContact O-N 2.89Å; I11-I15 HydrophobicContact CG2-CD1 3.77Å; I11-I15 HydrophobicContact CG2-CG1 4.4Å; I11-I15 VanDerWaalsContact O-CG1 3.27Å; I11-I15 WeakPolarHBondContact O-CG1 3.3Å; I11-I15 PolarHBondContact O-N 3.27Å
12E88.2Confident81.7Confident87 Ų87110 Ų11041%0.40755%0.552SS.*Hα-helixtrans-62.6-41.6177.2-73.1-170.3173.100112.4H8 E9 Q14 I15 R16H8-E12 IonicContact CD2-OE1 2.62Å; H8-E12 IonicContact CE1-OE1 3.15Å; H8-E12 IonicContact NE2-OE1 3.66Å; H8-E12 PolarHBondContact NE2-OE1 2.91Å; H8-E12 VanDerWaalsContact NE2-OE1 3.15Å; H8-E12 WeakPolarHBondContact O-CG 3.15Å; H8-E12 PolarHBondContact O-N 2.62Å; E9-E12 PolarHBondContact O-N 3.43Å; E12-Q14 VanDerWaalsContact C-N 3.34Å; E12-Q14 PolarHBondContact O-N 3.16Å; E12-I15 PolarHBondContact O-N 3.36Å; E12-R16 WeakPolarHBondContact O-CB 3.48Å; E12-R16 PolarHBondContact O-N 3.13Å
13A88.2Confident82Confident48 Ų48109.8 Ų109.840%0.39755%0.551SS.*Hα-helixtrans-61-44175.500000111.4E9 I11 R16 E17E9-A13 WeakPolarHBondContact O-CB 3.06Å; E9-A13 PolarHBondContact O-N 3.36Å; I11-A13 PolarHBondContact O-N 3.17Å; A13-R16 PolarHBondContact O-N 3.04Å; A13-E17 PolarHBondContact O-N 3.02Å
14Q86.1Confident81.9Confident91 Ų91104.2 Ų104.243%0.42554%0.542SS..Hα-helixtrans-65.2-41.2177-170.9178.16.600112.2D10 I11 E12 R16 E17 I18D10-Q14 WeakPolarHBondContact O-CB 3.43Å; D10-Q14 PolarHBondContact O-N 3.42Å; I11-Q14 PolarHBondContact O-N 2.89Å; E12-Q14 VanDerWaalsContact C-N 3.34Å; E12-Q14 PolarHBondContact O-N 3.16Å; Q14-R16 VanDerWaalsContact C-N 3.35Å; Q14-E17 PolarHBondContact O-N 3.35Å; Q14-I18 HydrophobicContact CG-CD1 4.03Å; Q14-I18 VanDerWaalsContact O-CG1 3.28Å; Q14-I18 WeakPolarHBondContact O-CG1 3.39Å; Q14-I18 PolarHBondContact O-N 2.97Å
15I86.9Confident81.5Confident81 Ų81103.3 Ų103.342%0.41554%0.539SS..Hα-helixtrans-61.9-44.7176-70.4167.1000110.3I11 E12 E17 I18 Q19I11-I15 HydrophobicContact CG2-CD1 3.77Å; I11-I15 HydrophobicContact CG2-CG1 4.4Å; I11-I15 VanDerWaalsContact O-CG1 3.27Å; I11-I15 WeakPolarHBondContact O-CG1 3.3Å; I11-I15 PolarHBondContact O-N 3.27Å; E12-I15 PolarHBondContact O-N 3.36Å; I15-E17 VanDerWaalsContact C-N 3.33Å; I15-E17 PolarHBondContact O-N 3Å; I15-I18 PolarHBondContact O-N 3.36Å; I15-Q19 HydrophobicContact CG2-CG 4.35Å; I15-Q19 WeakPolarHBondContact O-CB 3.29Å; I15-Q19 WeakPolarHBondContact O-CG 3.37Å; I15-Q19 PolarHBondContact O-N 2.9Å
16R87.5Confident81Confident163 Ų163108.2 Ų108.262%0.61556%0.562SS**Hα-helixtrans-61.2-41.6178-167.7-177.8-61.9123.84111.7E12 A13 Q14 Q19 G20E12-R16 WeakPolarHBondContact O-CB 3.48Å; E12-R16 PolarHBondContact O-N 3.13Å; A13-R16 PolarHBondContact O-N 3.04Å; Q14-R16 VanDerWaalsContact C-N 3.35Å; R16-Q19 PolarHBondContact O-N 3.5Å; R16-G20 PolarHBondContact O-N 3.26Å
17E86.7Confident80.3Confident105 Ų105108.4 Ų108.449%0.49157%0.565SS.*Hα-helixtrans-62.8-45.8174.9-171-170.7165.900111.8A13 Q14 I15 Q19 G20 K21A13-E17 PolarHBondContact O-N 3.02Å; Q14-E17 PolarHBondContact O-N 3.35Å; I15-E17 VanDerWaalsContact C-N 3.33Å; I15-E17 PolarHBondContact O-N 3Å; E17-Q19 PolarHBondContact O-N 3.29Å; E17-G20 PolarHBondContact O-N 3.44Å; E17-K21 HydrophobicContact CG-CD 4.47Å; E17-K21 WeakPolarHBondContact O-CG 3.42Å; E17-K21 PolarHBondContact O-N 3.36Å; E17-K21 WeakPolarHBondContact OE1-CE 3.42Å; E17-K21 IonicContact OE1-NZ 2.96Å; E17-K21 PolarHBondContact OE1-NZ 3.28Å
18I85Confident79.1Confident99 Ų99109 Ų10951%0.50858%0.578SS.*Hα-helixtrans-62.7-42.7178.4-69.4166.2000111Q14 I15 K21 K22Q14-I18 HydrophobicContact CG-CD1 4.03Å; Q14-I18 VanDerWaalsContact O-CG1 3.28Å; Q14-I18 WeakPolarHBondContact O-CG1 3.39Å; Q14-I18 PolarHBondContact O-N 2.97Å; I15-I18 PolarHBondContact O-N 3.36Å; I18-K21 PolarHBondContact O-N 3.48Å; I18-K22 WeakPolarHBondContact O-CB 3.17Å; I18-K22 PolarHBondContact O-N 3.25Å
19Q85.5Confident78Confident129 Ų129110.2 Ų110.260%0.60358%0.584SS**Hα-helixtrans-65.9-40.4177.5-72.5178-4.500112.1I15 R16 E17 K22 A23I15-Q19 HydrophobicContact CG2-CG 4.35Å; I15-Q19 WeakPolarHBondContact O-CB 3.29Å; I15-Q19 WeakPolarHBondContact O-CG 3.37Å; I15-Q19 PolarHBondContact O-N 2.9Å; R16-Q19 PolarHBondContact O-N 3.5Å; E17-Q19 PolarHBondContact O-N 3.29Å; Q19-K22 PolarHBondContact O-N 3.34Å; Q19-A23 PolarHBondContact O-N 3.29Å
20G82.9Confident76.8Confident43 Ų43104.9 Ų104.944%0.44357%0.57SS.*Hα-helixtrans-63.7-42174.500000112.7R16 E17 K22 A23 A24R16-G20 PolarHBondContact O-N 3.26Å; E17-G20 PolarHBondContact O-N 3.44Å; G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 3.45Å; G20-A23 PolarHBondContact O-N 3.02Å; G20-A24 PolarHBondContact O-N 3.02Å
21K79.6Confident75.7Confident122 Ų122106.6 Ų106.653%0.5358%0.583SS.*Hα-helixtrans-63.1-40173.5-73.9178-175.51710111.9E17 I18 A23 A24 L25E17-K21 HydrophobicContact CG-CD 4.47Å; E17-K21 WeakPolarHBondContact O-CG 3.42Å; E17-K21 PolarHBondContact O-N 3.36Å; E17-K21 WeakPolarHBondContact OE1-CE 3.42Å; E17-K21 IonicContact OE1-NZ 2.96Å; E17-K21 PolarHBondContact OE1-NZ 3.28Å; I18-K21 PolarHBondContact O-N 3.48Å; K21-A23 VanDerWaalsContact C-N 3.31Å; K21-A23 PolarHBondContact O-N 2.96Å; K21-A24 PolarHBondContact O-N 2.96Å; K21-L25 WeakPolarHBondContact O-CG 3.28Å; K21-L25 PolarHBondContact O-N 3.49Å
22K73.3Confident74.8Confident161 Ų161104.8 Ų104.870%0.758%0.582SS**Hα-helixtrans-63.5-36.6177.1-167-177.5176.4-171.40112.2I18 Q19 G20 A24 L25I18-K22 WeakPolarHBondContact O-CB 3.17Å; I18-K22 PolarHBondContact O-N 3.25Å; Q19-K22 PolarHBondContact O-N 3.34Å; G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 3.45Å; K22-A24 VanDerWaalsContact C-N 3.3Å; K22-A24 PolarHBondContact O-N 2.92Å; K22-L25 PolarHBondContact O-N 3.41Å
23A71.4Confident73.8Confident91 Ų91109.7 Ų109.775%0.75261%0.61SS**Hα-helixtrans-71-23.7176.100000113.6Q19 G20 K21Q19-A23 PolarHBondContact O-N 3.29Å; G20-A23 PolarHBondContact O-N 3.02Å; K21-A23 VanDerWaalsContact C-N 3.31Å; K21-A23 PolarHBondContact O-N 2.96Å
24A68.3Low72.6Confident85 Ų85114.8 Ų114.870%0.70263%0.631SS**THydrogen-bonded Turntrans-89.5-6.6176.600000113.6G20 K21 K22 D26G20-A24 PolarHBondContact O-N 3.02Å; K21-A24 PolarHBondContact O-N 2.96Å; K22-A24 VanDerWaalsContact C-N 3.3Å; K22-A24 PolarHBondContact O-N 2.92Å; A24-D26 PolarHBondContact O-N 3.49Å
25L65.5Low71.4Confident130 Ų130112.8 Ų112.868%0.68163%0.627SS**SBendtrans-81.7108.3173-74171.2000108.4K21 K22 E27K21-L25 WeakPolarHBondContact O-CG 3.28Å; K21-L25 PolarHBondContact O-N 3.49Å; K22-L25 PolarHBondContact O-N 3.41Å; L25-E27 PolarHBondContact O-N 2.93Å; L25-E27 VanDerWaalsContact O-N 3.15Å
26D63Low70.3Confident127 Ų127114.7 Ų114.768%0.67964%0.642SS**  trans-55.1115.6169.4-122.6-17.3000108.7A24 A28 Q29A24-D26 PolarHBondContact O-N 3.49Å; D26-A28 PolarHBondContact O-N 2.9Å; D26-Q29 PolarHBondContact O-N 3.48Å
27E62Low69.2Low194 Ų194108.3 Ų108.391%0.90763%0.627SS**G310 helixtrans-56.4-19.5177.9-87.5-177.2158.800112.2L25 Q29L25-E27 PolarHBondContact O-N 2.93Å; L25-E27 VanDerWaalsContact O-N 3.15Å; E27-Q29 VanDerWaalsContact C-N 3.34Å; E27-Q29 PolarHBondContact O-N 3.34Å
28A59.8Low68.2Low84 Ų84110.4 Ų110.469%0.69463%0.632SS**G310 helixtrans-73.2-1617800000115D26D26-A28 PolarHBondContact O-N 2.9Å
29Q59.8Low67.6Low166 Ų166110.7 Ų110.778%0.77663%0.627SS**G310 helixtrans-10013.9176.5-79.5-161.7-31.400113.8D26 E27D26-Q29 PolarHBondContact O-N 3.48Å; E27-Q29 VanDerWaalsContact C-N 3.34Å; E27-Q29 PolarHBondContact O-N 3.34Å
30G61.2Low67.1Low41 Ų41107.4 Ų107.442%0.42361%0.614SS.*SBendtrans-71.2144.617200000112.7G32G30-G32 PolarHBondContact O-N 3.21Å
31V62.4Low66.7Low118 Ų118110.4 Ų110.472%0.71562%0.616SS**  trans-69.995.9165.1-65.70000108.4Y38V31-Y38 HydrophobicContact CG1-CG 4.36Å
32G66.8Low66.5Low35 Ų35113.1 Ų113.136%0.36163%0.631SS.*  trans-75.1152.6175.800000111.2G30 D34 S35G30-G32 PolarHBondContact O-N 3.21Å; G32-D34 PolarHBondContact O-N 3.18Å; G32-D34 VanDerWaalsContact O-N 3.16Å; G32-S35 WeakPolarHBondContact CA-OG 3.47Å; G32-S35 PolarHBondContact N-OG 3.4Å; G32-S35 WeakPolarHBondContact O-CB 3.49Å; G32-S35 PolarHBondContact O-N 3.44Å; G32-S35 PolarHBondContact O-OG 2.97Å
33L67.8Low66.7Low191 Ų191111 Ų111100%163%0.626SS**THydrogen-bonded Turntrans-59.6-26.2178-174.663000112.5
34D63.5Low66.8Low154 Ų154114.9 Ų114.982%0.82462%0.622SS**THydrogen-bonded Turntrans-107.25.7176.9-151.222.9000112.6G32 T36G32-D34 PolarHBondContact O-N 3.18Å; G32-D34 VanDerWaalsContact O-N 3.16Å; D34-T36 PolarHBondContact O-N 3.04Å
35S60.5Low66.8Low49 Ų49112.7 Ų112.734%0.34361%0.608SS.*  trans-77.594.7-179.4-56.50000110.2G32G32-S35 WeakPolarHBondContact CA-OG 3.47Å; G32-S35 PolarHBondContact N-OG 3.4Å; G32-S35 WeakPolarHBondContact O-CB 3.49Å; G32-S35 PolarHBondContact O-N 3.44Å; G32-S35 PolarHBondContact O-OG 2.97Å
36T63.3Low66.8Low121 Ų121107.6 Ų107.674%0.74259%0.587SS**THydrogen-bonded Turntrans-67.4135.6170.261.60000110.4D34D34-T36 PolarHBondContact O-N 3.04Å
37G64.3Low67Low29 Ų29105 Ų10530%0.29958%0.579SS.*THydrogen-bonded Turntrans108.4-8.1169.300000117.8Q41G37-Q41 PolarHBondContact O-NE2 2.97Å
38Y66.4Low67.3Low149 Ų149102.8 Ų102.858%0.58457%0.573SS**  trans-98.312.1179.7-61.8-84.5000114.9V31V31-Y38 HydrophobicContact CG1-CG 4.36Å
39Y73.1Confident67.9Low106 Ų106102.7 Ų102.742%0.41657%0.567SS.*SBendtrans-95.2165.2169.254.7-92000110Q41Y39-Q41 HydrophobicContact CD2-CG 4.46Å; Y39-Q41 HydrophobicContact CE2-CG 4.3Å; Y39-Q41 WeakPolarHBondContact O-CG 3.48Å; Y39-Q41 PolarHBondContact O-N 3.46Å
40D74.6Confident68.6Low59 Ų59102.6 Ų102.632%0.31656%0.56SS.*  trans-64.894.9178-170.3-21.6000110.9E42 I43 Y44D40-E42 PolarHBondContact O-N 3.24Å; D40-E42 WeakPolarHBondContact OD1-CG 3.24Å; D40-E42 PolarHBondContact OD1-N 3.37Å; D40-E42 VanDerWaalsContact OD1-N 3.09Å; D40-I43 HydrophobicContact CB-CB 4.33Å; D40-I43 PolarHBondContact O-N 3.3Å; D40-I43 PolarHBondContact OD1-N 3.15Å; D40-I43 WeakPolarHBondContact OD2-CD1 3.05Å; D40-I43 VanDerWaalsContact OD2-CG1 3.3Å; D40-I43 WeakPolarHBondContact OD2-CG1 3.32Å; D40-Y44 HydrophobicContact CB-CD2 4.1Å; D40-Y44 HydrophobicContact CB-CE2 4.33Å; D40-Y44 WeakPolarHBondContact O-CB 3.43Å; D40-Y44 VanDerWaalsContact O-CD2 3.29Å; D40-Y44 WeakPolarHBondContact O-CD2 3.27Å; D40-Y44 PolarHBondContact O-N 3.05Å
41Q74.5Confident69.4Low106 Ų106106.4 Ų106.450%0.49557%0.565SS.*Hα-helixtrans-70.2-19.2-177.1-58.1-174.423.200112.4G37 Y39 G45G37-Q41 PolarHBondContact O-NE2 2.97Å; Y39-Q41 HydrophobicContact CD2-CG 4.46Å; Y39-Q41 HydrophobicContact CE2-CG 4.3Å; Y39-Q41 WeakPolarHBondContact O-CG 3.48Å; Y39-Q41 PolarHBondContact O-N 3.46Å; Q41-G45 WeakPolarHBondContact O-CA 3.43Å; Q41-G45 PolarHBondContact O-N 2.9Å
42E75.8Confident70.1Confident179 Ų179104.4 Ų104.484%0.83656%0.561SS**Hα-helixtrans-80.3-29.5179.890.3-147.6163.200111.4D40D40-E42 PolarHBondContact O-N 3.24Å; D40-E42 WeakPolarHBondContact OD1-CG 3.24Å; D40-E42 PolarHBondContact OD1-N 3.37Å; D40-E42 VanDerWaalsContact OD1-N 3.09Å
43I77.7Confident70.8Confident116 Ų116106.8 Ų106.860%0.59559%0.585SS**Hα-helixtrans-87.8-45.6173.5-63.1-176.8000112D40D40-I43 HydrophobicContact CB-CB 4.33Å; D40-I43 PolarHBondContact O-N 3.3Å; D40-I43 PolarHBondContact OD1-N 3.15Å; D40-I43 WeakPolarHBondContact OD2-CD1 3.05Å; D40-I43 VanDerWaalsContact OD2-CG1 3.3Å; D40-I43 WeakPolarHBondContact OD2-CG1 3.32Å
44Y72.8Confident71.5Confident174 Ų174105.9 Ų105.968%0.68257%0.57SS**Hα-helixtrans-94.8-5.1-168.3-66.8-70.7000114.9D40D40-Y44 HydrophobicContact CB-CD2 4.1Å; D40-Y44 HydrophobicContact CB-CE2 4.33Å; D40-Y44 WeakPolarHBondContact O-CB 3.43Å; D40-Y44 VanDerWaalsContact O-CD2 3.29Å; D40-Y44 WeakPolarHBondContact O-CD2 3.27Å; D40-Y44 PolarHBondContact O-N 3.05Å
45G67.8Low72.5Confident39 Ų39104.6 Ų104.640%0.40257%0.567SS.*THydrogen-bonded Turntrans71.1116.5-17900000112.1Q41Q41-G45 WeakPolarHBondContact O-CA 3.43Å; Q41-G45 PolarHBondContact O-N 2.9Å
46G66.1Low73.4Confident23 Ų23107.8 Ų107.824%0.23759%0.585CS.*  trans-57.5167.1176.600000114.1D48 S49G46-D48 PolarHBondContact O-N 2.87Å; G46-S49 PolarHBondContact O-N 3.45Å
47S67.7Low74.3Confident73 Ų73106.3 Ų106.351%0.5158%0.579SS.*THydrogen-bonded Turntrans-51-25.4-171.454.60000115.4
48D67.8Low75.1Confident146 Ų146112.5 Ų112.578%0.78160%0.604SS**THydrogen-bonded Turntrans-95.6-12.3-162.7-65.5-0.7000113.9G46G46-D48 PolarHBondContact O-N 2.87Å
49S72.6Confident75.7Confident83 Ų83108 Ų10858%0.5860%0.598SS**THydrogen-bonded Turntrans-119.6-0.3-173.5-61.40000115G46 F51 A52G46-S49 PolarHBondContact O-N 3.45Å; S49-F51 PolarHBondContact O-N 3.02Å; S49-A52 WeakPolarHBondContact O-CB 3.35Å; S49-A52 PolarHBondContact O-N 2.96Å
50R74.1Confident75.7Confident164 Ų164108 Ų10862%0.61962%0.619SS**THydrogen-bonded Turntrans-61.7-18.3-177.371.2-165.5-163.6-166.11.9114.8
51F77.6Confident75.3Confident121 Ų121111.4 Ų111.453%0.53164%0.643SS.*THydrogen-bonded Turntrans-114.65.4177.4-52.3-57.7000113.4S49 G53 Y54 T56S49-F51 PolarHBondContact O-N 3.02Å; F51-G53 PolarHBondContact O-N 3.16Å; F51-Y54 PolarHBondContact O-N 3.43Å; F51-Y54 VanDerWaalsContact O-N 3.13Å; F51-T56 HydrophobicContact CB-CG2 4.1Å
52A77.7Confident74.7Confident75 Ų75113 Ų11362%0.6265%0.65SS**THydrogen-bonded Turntrans-64.1118.8176.800000109.5S49S49-A52 WeakPolarHBondContact O-CB 3.35Å; S49-A52 PolarHBondContact O-N 2.96Å
53G80.7Confident73.8Confident85 Ų85112.1 Ų112.188%0.87665%0.65SS**THydrogen-bonded Turntrans94.3-0.2-178.200000115.4F51F51-G53 PolarHBondContact O-N 3.16Å
54Y83.9Confident72.8Confident172 Ų172114.4 Ų114.468%0.67566%0.658SS**SBendtrans-105.6149.5173.7-64.2-74.8000111.7F51 T56F51-Y54 PolarHBondContact O-N 3.43Å; F51-Y54 VanDerWaalsContact O-N 3.13Å; Y54-T56 PolarHBondContact O-N 2.97Å
55V83.8Confident72Confident127 Ų127112.9 Ų112.977%0.7766%0.662SS**  trans-77.9114.7169.2178.50000107.8S57V55-S57 VanDerWaalsContact C-N 3.34Å; V55-S57 VanDerWaalsContact CG1-O 3.24Å; V55-S57 WeakPolarHBondContact CG1-O 3.49Å
56T80.1Confident71.1Confident116 Ų116118 Ų11871%0.71268%0.68SS**  trans-87.90.1-173.356.60000114.1F51 Y54F51-T56 HydrophobicContact CB-CG2 4.1Å; Y54-T56 PolarHBondContact O-N 2.97Å
57S82.2Confident70.4Confident90 Ų90124.8 Ų124.863%0.62971%0.711SS**  trans-149.6131-177.757.20000110.5V55V55-S57 VanDerWaalsContact C-N 3.34Å; V55-S57 VanDerWaalsContact CG1-O 3.24Å; V55-S57 WeakPolarHBondContact CG1-O 3.49Å
58I80.5Confident69.5Low160 Ų160127.7 Ų127.782%0.82172%0.721SS**  trans-105147.9164.957.1175000108.5A60I58-A60 PolarHBondContact O-N 3.02Å
59A79.4Confident68.6Low55 Ų55127.5 Ų127.546%0.45572%0.72SS.*  trans-64.2124.4175.300000109.4T61 E62A59-T61 PolarHBondContact O-N 2.89Å; A59-E62 HydrophobicContact CB-CB 4.08Å; A59-E62 HydrophobicContact CB-CG 3.89Å
60A72Confident67.6Low104 Ų104134.5 Ų134.586%0.8674%0.735SS**SBendtrans-77.1-2.8-179.200000113.3I58I58-A60 PolarHBondContact O-N 3.02Å
61T67.8Low66Low132 Ų132132.3 Ų132.381%0.8175%0.745SS**SBendtrans-140.38-166.743.60000114.2A59 L63A59-T61 PolarHBondContact O-N 2.89Å; T61-L63 VanDerWaalsContact C-N 3.32Å; T61-L63 PolarHBondContact O-N 3.03Å; T61-L63 VanDerWaalsContact O-N 3.09Å
62E61.1Low64.5Low139 Ų139130.7 Ų130.765%0.6575%0.749SS**  trans-83.786169.4-77.9179.9178.200108.6A59 E64A59-E62 HydrophobicContact CB-CB 4.08Å; A59-E62 HydrophobicContact CB-CG 3.89Å; E62-E64 HydrophobicContact CB-CG 4.35Å; E62-E64 PolarHBondContact O-N 3.15Å
63L56Low63Low160 Ų160132.6 Ų132.684%0.83876%0.758SS**  trans-66.282.5149.3-164.483000104.8T61 D65T61-L63 VanDerWaalsContact C-N 3.32Å; T61-L63 PolarHBondContact O-N 3.03Å; T61-L63 VanDerWaalsContact O-N 3.09Å; L63-D65 PolarHBondContact O-N 2.82Å
64E56.9Low61.6Low164 Ų164132.5 Ų132.577%0.76674%0.74SS**  trans-62.9107168.9-82.3-178.3160.700106.6E62 D66E62-E64 HydrophobicContact CB-CG 4.35Å; E62-E64 PolarHBondContact O-N 3.15Å; E64-D66 PolarHBondContact O-N 3.49Å
65D55.5Low59.8Low142 Ų142130.7 Ų130.776%0.75975%0.753SS**  trans-46.5120.4162.3-81.9-41.3000108.6L63 D67L63-D65 PolarHBondContact O-N 2.82Å; D65-D67 PolarHBondContact O-N 2.93Å
66D49.2Very low58.2Low146 Ų146132.6 Ų132.678%0.78176%0.757SS**  trans897.3140.6-149.626.2000115E64E64-D66 PolarHBondContact O-N 3.49Å
67D52.5Low56.7Low167 Ų167134.1 Ų134.189%0.89376%0.76SS**  trans-144.3107.1157.2-101.7-26.8000109.9D65D65-D67 PolarHBondContact O-N 2.93Å
68D47.8Very low55Low133 Ų133132.8 Ų132.871%0.71176%0.761SS**  trans-50.9161.5167.4-75.1-57.1000112.7
69D49.6Very low53.7Low142 Ų142134 Ų13476%0.75976%0.763SS**  trans78.465.2158.1-75.8-21.9000120
70Y52.1Low52.7Low230 Ų230141 Ų14190%0.90278%0.783SS**  trans-142.597.4142.6-66.4-72.2000113.4
71S39.1Very low52.2Low119 Ų119144 Ų14483%0.83278%0.777SS**  41.199127-164.90000117.5
72S47Very low52.2Low87 Ų87143.1 Ų143.161%0.60877%0.774SS**  trans-165.3115.4134.6-161.20000111.9T74S72-T74 PolarHBondContact O-N 3.25Å; S72-T74 PolarHBondContact O-OG1 2.77Å
73S46.5Very low52.7Low115 Ų115138.3 Ų138.380%0.80476%0.761SS**  trans-34.594.2152.852.90000112.9
74T50.8Low53.8Low82 Ų82141.7 Ų141.750%0.50376%0.764SS.*  trans-133.820.7175.459.80000113.8S72 L76 L77S72-T74 PolarHBondContact O-N 3.25Å; S72-T74 PolarHBondContact O-OG1 2.77Å; T74-L76 PolarHBondContact O-N 3.02Å; T74-L77 PolarHBondContact O-N 3.25Å
75S47.1Very low55Low135 Ų135140.1 Ų140.194%0.94476%0.757SS**THydrogen-bonded Turntrans-68.412.7166-139.10000113.7
76L50Low56.3Low166 Ų166135.6 Ų135.687%0.86974%0.739SS**THydrogen-bonded Turntrans-111.67.9172.2-72.3160000112.2T74 G78T74-L76 PolarHBondContact O-N 3.02Å; L76-G78 PolarHBondContact O-N 3.01Å
77L47.6Very low57.9Low148 Ų148132.1 Ų132.178%0.77573%0.725SS**SBendtrans-70.998.8170.5-129.769.4000108.1T74T74-L77 PolarHBondContact O-N 3.25Å
78G46.4Very low59.3Low62 Ų62129 Ų12964%0.63971%0.711SS**  trans-42.8142-170.300000113.3L76 K80L76-G78 PolarHBondContact O-N 3.01Å; G78-K80 PolarHBondContact O-N 3.29Å
79Q54.4Low61Low187 Ų187126 Ų12687%0.87471%0.705SS**  trans-28.9108.5171.5-60.3-175.3-64.900109.3K81Q79-K81 PolarHBondContact O-N 3.3Å
80K56.9Low62.5Low201 Ų201124.8 Ų124.887%0.87470%0.698SS**  trans-47.2110.5176.7-71.8-163.8175.7-173.60106.1G78 P82G78-K80 PolarHBondContact O-N 3.29Å; K80-P82 VanDerWaalsContact O-CD 3.31Å; K80-P82 WeakPolarHBondContact O-CD 3.31Å
81K62.8Low63.9Low166 Ų166118.1 Ų118.172%0.72268%0.678SS**  trans-51.9116.6-176.7-67.7-171176.7-167.30106.2Q79 G83Q79-K81 PolarHBondContact O-N 3.3Å; K81-G83 VanDerWaalsContact C-N 3.25Å; K81-G83 PolarHBondContact O-N 3.19Å
82P66.3Low65.8Low114 Ų114118.9 Ų118.974%0.7467%0.672SS**  trans-71.985.1-171.927.4-33.6000109.1K80K80-P82 VanDerWaalsContact O-CD 3.31Å; K80-P82 WeakPolarHBondContact O-CD 3.31Å
83G72.2Confident67.3Low38 Ų38120.8 Ų120.839%0.39268%0.676SS.*  trans63.6155.4-178.400000113.9K81K81-G83 VanDerWaalsContact C-N 3.25Å; K81-G83 PolarHBondContact O-N 3.19Å
84Y78.5Confident68.6Low231 Ų231120.6 Ų120.691%0.90667%0.665SS**SBendtrans-83.93163.4-63.7-77.6000111.5
85H83.8Confident69.5Low132 Ų132122.4 Ų122.461%0.61168%0.678SS**SBendtrans-107156.9179.466.474.9000110.9
86A81Confident70.6Confident47 Ų47124.3 Ų124.339%0.38867%0.672SS.*  trans-62.5144.1177.800000111.5L91A86-L91 HydrophobicContact CB-CD2 4.01Å; A86-L91 HydrophobicContact CB-CG 4.11Å
87P82.7Confident71.2Confident73 Ų73119.9 Ų119.947%0.47466%0.655SS.*  trans-55.1136.9170.8-25.132.5000111.9A89 L90 L91P87-A89 PolarHBondContact O-N 2.94Å; P87-A89 VanDerWaalsContact O-N 3.09Å; P87-L90 HydrophobicContact CG-CD1 4.36Å; P87-L90 PolarHBondContact O-N 3.34Å; P87-L91 PolarHBondContact O-N 3.34Å
88V83Confident71.9Confident100 Ų100119.5 Ų119.561%0.60666%0.659SS**Hα-helixtrans-56.3-29.6-177.7-64.10000113.8L90 L91 N92V88-L90 VanDerWaalsContact C-N 3.35Å; V88-L90 PolarHBondContact O-N 3.11Å; V88-L91 PolarHBondContact O-N 3.32Å; V88-N92 PolarHBondContact O-N 3.35Å; V88-N92 VanDerWaalsContact O-N 3.11Å; V88-N92 PolarHBondContact O-ND2 3.49Å
89A82.7Confident73.1Confident71 Ų71123.7 Ų123.759%0.58766%0.661SS**Hα-helixtrans-62.4-40.5175.400000112P87 D93P87-A89 PolarHBondContact O-N 2.94Å; P87-A89 VanDerWaalsContact O-N 3.09Å; A89-D93 WeakPolarHBondContact O-CB 3.36Å; A89-D93 PolarHBondContact O-N 3.09Å
90L80.9Confident74.1Confident116 Ų116123.4 Ų123.461%0.60766%0.66SS**Hα-helixtrans-74.1-30.3178-62.1-177.9000112.5P87 V88P87-L90 HydrophobicContact CG-CD1 4.36Å; P87-L90 PolarHBondContact O-N 3.34Å; V88-L90 VanDerWaalsContact C-N 3.35Å; V88-L90 PolarHBondContact O-N 3.11Å
91L82.1Confident75.2Confident91 Ų91122.2 Ų122.248%0.47665%0.651SS.*Hα-helixtrans-70.5-35.7177.3-67.2173000112.2A86 P87 V88 I94A86-L91 HydrophobicContact CB-CD2 4.01Å; A86-L91 HydrophobicContact CB-CG 4.11Å; P87-L91 PolarHBondContact O-N 3.34Å; V88-L91 PolarHBondContact O-N 3.32Å; L91-I94 WeakPolarHBondContact O-CD1 3.16Å; L91-I94 WeakPolarHBondContact O-CG1 3.49Å
92N79.1Confident76.3Confident135 Ų135117 Ų11772%0.72263%0.632SS**Hα-helixtrans-87.9-16.7-178.4-66.7-24.2000113.5V88 I94V88-N92 PolarHBondContact O-N 3.35Å; V88-N92 VanDerWaalsContact O-N 3.11Å; V88-N92 PolarHBondContact O-ND2 3.49Å; N92-I94 PolarHBondContact O-N 3.09Å
93D79.1Confident77.2Confident127 Ų127115.8 Ų115.868%0.67962%0.624SS**THydrogen-bonded Turntrans-79.54.8176-158.831.4000112.7A89 P95A89-D93 WeakPolarHBondContact O-CB 3.36Å; A89-D93 PolarHBondContact O-N 3.09Å; D93-P95 WeakPolarHBondContact O-CD 3.43Å; D93-P95 VanDerWaalsContact O-N 3.12Å
94I73.8Confident78Confident111 Ų111120.6 Ų120.657%0.56963%0.634SS**SBendtrans-62.2116168-61.5174.7000106.6L91 N92 Q96L91-I94 WeakPolarHBondContact O-CD1 3.16Å; L91-I94 WeakPolarHBondContact O-CG1 3.49Å; N92-I94 PolarHBondContact O-N 3.09Å; I94-Q96 VanDerWaalsContact C-N 3.31Å; I94-Q96 PolarHBondContact O-N 3.32Å
95P69.7Low78.3Confident120 Ų120111.3 Ų111.378%0.77961%0.605SS**  trans-64.897.5177.125.6-31.1000107.5D93 S97D93-P95 WeakPolarHBondContact O-CD 3.43Å; D93-P95 VanDerWaalsContact O-N 3.12Å; P95-S97 PolarHBondContact O-N 3.15Å
96Q69.8Low78.4Confident174 Ų174113.5 Ų113.581%0.81362%0.616SS**  trans-60.4131166.3-59.2-148.1-41.900105.9I94 T98I94-Q96 VanDerWaalsContact C-N 3.31Å; I94-Q96 PolarHBondContact O-N 3.32Å; Q96-T98 PolarHBondContact O-N 2.87Å; Q96-T98 VanDerWaalsContact O-N 3.15Å
97S62.5Low78.9Confident73 Ų73118.2 Ų118.251%0.5163%0.63SS.*  trans-47.9129.9173.252.20000107.7P95 E99P95-S97 PolarHBondContact O-N 3.15Å; S97-E99 CarbonylContact O-C 3.55Å; S97-E99 PolarHBondContact O-N 3.1Å; S97-E99 PolarHBondContact OG-O 2.77Å
98T62.9Low79.2Confident140 Ų140121.2 Ų121.286%0.85963%0.631SS**SBendtrans-58.9-16.4177.250.30000112Q96Q96-T98 PolarHBondContact O-N 2.87Å; Q96-T98 VanDerWaalsContact O-N 3.15Å
99E71.1Confident79.5Confident150 Ų150121.7 Ų121.770%0.70164%0.637SS**SBendtrans-86.7128.3170.5-59.2-171.2170.900110S97 Y101S97-E99 CarbonylContact O-C 3.55Å; S97-E99 PolarHBondContact O-N 3.1Å; S97-E99 PolarHBondContact OG-O 2.77Å; E99-Y101 VanDerWaalsContact C-N 3.25Å; E99-Y101 PolarHBondContact O-N 3.35Å
100Q74.8Confident79.7Confident181 Ų181124 Ų12485%0.84665%0.646SS**  trans-54.187.8172.4-74.273.94.100109.4D102Q100-D102 PolarHBondContact O-N 2.96Å
101Y80.7Confident80.2Confident176 Ų176125.2 Ų125.269%0.6965%0.646SS**  trans-69.2113.6-180-179-97.6000108.9E99 P103E99-Y101 VanDerWaalsContact C-N 3.25Å; E99-Y101 PolarHBondContact O-N 3.35Å; Y101-P103 HydrophobicContact CE1-CB 4.39Å; Y101-P103 WeakPolarHBondContact O-CD 3.22Å
102D84.8Confident80.5Confident58 Ų58125.3 Ų125.331%0.3165%0.646SS.*  trans-85.4112.3172.8172.910.4000108.4Q100 F104 A105 R108Q100-D102 PolarHBondContact O-N 2.96Å; D102-F104 PolarHBondContact O-N 3.07Å; D102-F104 PolarHBondContact OD1-N 2.73Å; D102-A105 HydrophobicContact CB-CB 4.2Å; D102-A105 WeakPolarHBondContact O-CB 3.17Å; D102-A105 PolarHBondContact O-N 2.99Å; D102-R108 IonicContact OD2-CZ 3.82Å; D102-R108 IonicContact OD2-NH1 3.72Å; D102-R108 PolarHBondContact OD2-NH1 2.99Å
103P86.6Confident80.9Confident88 Ų88120.1 Ų120.157%0.57162%0.622SS**THydrogen-bonded Turntrans-63.7-14-179.927.8-34.9000113.1Y101Y101-P103 HydrophobicContact CE1-CB 4.39Å; Y101-P103 WeakPolarHBondContact O-CD 3.22Å
104F88.7Confident81.4Confident138 Ų138119.7 Ų119.761%0.60562%0.62SS**THydrogen-bonded Turntrans-100.39.3175.3-60.3-75.1000113.3D102 E106 H107 R108D102-F104 PolarHBondContact O-N 3.07Å; D102-F104 PolarHBondContact OD1-N 2.73Å; F104-E106 PolarHBondContact O-N 3.19Å; F104-E106 VanDerWaalsContact O-N 3.1Å; F104-H107 PolarHBondContact O-N 3.36Å; F104-R108 PolarHBondContact O-N 3.42Å
105A85.2Confident82.1Confident37 Ų37123.6 Ų123.631%0.30663%0.627SS.*THydrogen-bonded Turntrans-57.7-27.4-178.500000113.9D102 R108D102-A105 HydrophobicContact CB-CB 4.2Å; D102-A105 WeakPolarHBondContact O-CB 3.17Å; D102-A105 PolarHBondContact O-N 2.99Å; A105-R108 WeakPolarHBondContact O-CG 3.42Å; A105-R108 PolarHBondContact O-NE 2.98Å
106E86Confident83.1Confident177 Ų177119.7 Ų119.783%0.82760%0.598SS**THydrogen-bonded Turntrans-80.4-29.2176.7-171.8174.6179.900113.1F104F104-E106 PolarHBondContact O-N 3.19Å; F104-E106 VanDerWaalsContact O-N 3.1Å
107H90.7Very high84.1Confident147 Ų147115.3 Ų115.368%0.68158%0.581SS**THydrogen-bonded Turntrans-88.3-14.2-176-66.2-59.2000113.9F104F104-H107 PolarHBondContact O-N 3.36Å
108R88.3Confident85.5Confident136 Ų136120.5 Ų120.551%0.51360%0.597SS.*SBendtrans-75.813617756.7-177.6176.8-156.44.9111.2D102 F104 A105D102-R108 IonicContact OD2-CZ 3.82Å; D102-R108 IonicContact OD2-NH1 3.72Å; D102-R108 PolarHBondContact OD2-NH1 2.99Å; F104-R108 PolarHBondContact O-N 3.42Å; A105-R108 WeakPolarHBondContact O-CG 3.42Å; A105-R108 PolarHBondContact O-NE 2.98Å
109P89.2Confident86.8Confident110 Ų110123.3 Ų123.371%0.71459%0.593SS**PPolyproline II helixtrans-57.5138.3169.1-23.333000111K111P109-K111 PolarHBondContact O-N 2.85Å
110P88.5Confident87.9Confident120 Ų120121.2 Ų121.278%0.77958%0.582SS**PPolyproline II helixtrans-64136.2-179.626-34000110.7
111K91Very high88.8Confident141 Ų141118.7 Ų118.761%0.61357%0.568SS**PPolyproline II helixtrans-81.7150.5179.6-61.5177.4-178.8175.90109.3P109 A113 D114P109-K111 PolarHBondContact O-N 2.85Å; K111-A113 HydrophobicContact CB-CB 4.02Å; K111-A113 PolarHBondContact O-N 2.94Å; K111-A113 VanDerWaalsContact O-N 3.1Å; K111-D114 WeakPolarHBondContact CB-OD2 3.11Å; K111-D114 PolarHBondContact N-OD2 3.05Å; K111-D114 PolarHBondContact O-N 3.49Å
112I88.5Confident89.3Confident92 Ų92116.5 Ų116.547%0.47256%0.564SS.*G310 helixtrans-57.8-28.3172.3-53.3175.1000110.2D114 R115 E116I112-D114 PolarHBondContact O-N 3.26Å; I112-R115 WeakPolarHBondContact O-CG 3.35Å; I112-R115 PolarHBondContact O-N 3.26Å; I112-E116 WeakPolarHBondContact CG2-OE1 3.36Å; I112-E116 VanDerWaalsContact O-CG 3.31Å; I112-E116 WeakPolarHBondContact O-CG 3.08Å
113A88.2Confident89.6Confident27 Ų27119.6 Ų119.622%0.22357%0.571CS.*G310 helixtrans-49.8-42.2171.200000115.1K111 R115 E116K111-A113 HydrophobicContact CB-CB 4.02Å; K111-A113 PolarHBondContact O-N 2.94Å; K111-A113 VanDerWaalsContact O-N 3.1Å; A113-R115 PolarHBondContact O-N 3.28Å; A113-E116 PolarHBondContact O-N 2.8Å
114D87.8Confident89.9Confident118 Ų118121.8 Ų121.863%0.63157%0.568SS**G310 helixtrans-80.7-14.9-163.7-49.4-30.9000110.7K111 I112K111-D114 WeakPolarHBondContact CB-OD2 3.11Å; K111-D114 PolarHBondContact N-OD2 3.05Å; K111-D114 PolarHBondContact O-N 3.49Å; I112-D114 PolarHBondContact O-N 3.26Å
115R89.2Confident90.2Very high193 Ų193119.8 Ų119.873%0.72857%0.567SS**G310 helixtrans-104.51.3-179.863171-176.2174.1-1.1114.5I112 A113I112-R115 WeakPolarHBondContact O-CG 3.35Å; I112-R115 PolarHBondContact O-N 3.26Å; A113-R115 PolarHBondContact O-N 3.28Å
116E90.7Very high90.6Very high37 Ų37124.6 Ų124.617%0.17359%0.585CS.*  trans-95.3141.8-176.2-74.3174.6-152.700111.7I112 A113 K120 R123I112-E116 WeakPolarHBondContact CG2-OE1 3.36Å; I112-E116 VanDerWaalsContact O-CG 3.31Å; I112-E116 WeakPolarHBondContact O-CG 3.08Å; A113-E116 PolarHBondContact O-N 2.8Å; E116-K120 HydrophobicContact CB-CB 4.07Å; E116-K120 HydrophobicContact CG-CB 4.16Å; E116-K120 HydrophobicContact CG-CD 4.5Å; E116-R123 VanDerWaalsContact CD-CZ 3.49Å; E116-R123 VanDerWaalsContact CG-NH2 3.32Å; E116-R123 IonicContact OE1-CZ 2.85Å; E116-R123 VanDerWaalsContact OE1-CZ 3.27Å; E116-R123 IonicContact OE1-NE 2.94Å; E116-R123 IonicContact OE1-NH2 3.32Å; E116-R123 PolarHBondContact OE1-NH2 3.12Å; E116-R123 IonicContact OE2-CZ 3.27Å; E116-R123 IonicContact OE2-NE 3.52Å; E116-R123 PolarHBondContact OE2-NE 3.49Å; E116-R123 IonicContact OE2-NH2 2.83Å; E116-R123 PolarHBondContact OE2-NH2 3.27Å
117D91.4Very high91Very high82 Ų82123.6 Ų123.644%0.43958%0.584SS.*  trans-79.3171.8171.458.312.7000111.5Y119 K120 K121D117-Y119 PolarHBondContact O-N 2.98Å; D117-K120 PolarHBondContact O-N 3.1Å; D117-K120 WeakPolarHBondContact OD1-CB 3.12Å; D117-K120 WeakPolarHBondContact OD1-CD 3.3Å; D117-K120 WeakPolarHBondContact OD1-CG 3.41Å; D117-K120 PolarHBondContact OD1-N 3.26Å; D117-K121 PolarHBondContact O-N 3.36Å
118E91.1Very high91.1Very high182 Ų182124.5 Ų124.585%0.8559%0.592SS**Hα-helixtrans-57.9-35.8179.4-65.5-176.516900112.5K121E118-K121 WeakPolarHBondContact O-CB 3.31Å; E118-K121 PolarHBondContact O-N 3.43Å
119Y91.5Very high91.3Very high199 Ų199120.6 Ų120.678%0.7859%0.585SS**Hα-helixtrans-66.1-48.2178.3-178.3-106.1000112.1D117 K121 H122D117-Y119 PolarHBondContact O-N 2.98Å; Y119-K121 VanDerWaalsContact C-N 3.26Å; Y119-K121 PolarHBondContact O-N 3.16Å; Y119-H122 WeakPolarHBondContact O-CB 3.01Å; Y119-H122 PolarHBondContact O-N 3.15Å
120K93.3Very high91.5Very high106 Ų106120.7 Ų120.746%0.46159%0.586SS.*Hα-helixtrans-66.2-29.1177.7-74168.3-173.4168.70112.5E116 D117 H122 R123E116-K120 HydrophobicContact CB-CB 4.07Å; E116-K120 HydrophobicContact CG-CB 4.16Å; E116-K120 HydrophobicContact CG-CD 4.5Å; D117-K120 PolarHBondContact O-N 3.1Å; D117-K120 WeakPolarHBondContact OD1-CB 3.12Å; D117-K120 WeakPolarHBondContact OD1-CD 3.3Å; D117-K120 WeakPolarHBondContact OD1-CG 3.41Å; D117-K120 PolarHBondContact OD1-N 3.26Å; K120-H122 PolarHBondContact O-N 3.48Å; K120-H122 VanDerWaalsContact O-N 3.16Å; K120-R123 VanDerWaalsContact O-CG 3.3Å; K120-R123 WeakPolarHBondContact O-CG 3.33Å; K120-R123 PolarHBondContact O-N 3.41Å; K120-R123 VanDerWaalsContact O-N 3.15Å; K120-R123 PolarHBondContact O-NE 2.94Å
121K93.2Very high91.8Very high129 Ų129124.3 Ų124.356%0.56159%0.593SS**Hα-helixtrans-58.8-26.5177.4-162.1177.5-178.3178.10112.4D117 E118 Y119 R123 R124D117-K121 PolarHBondContact O-N 3.36Å; E118-K121 WeakPolarHBondContact O-CB 3.31Å; E118-K121 PolarHBondContact O-N 3.43Å; Y119-K121 VanDerWaalsContact C-N 3.26Å; Y119-K121 PolarHBondContact O-N 3.16Å; K121-R123 PolarHBondContact O-N 2.96Å; K121-R123 VanDerWaalsContact O-N 3.12Å; K121-R124 VanDerWaalsContact O-CB 3.31Å; K121-R124 WeakPolarHBondContact O-CB 3.31Å; K121-R124 PolarHBondContact O-N 2.83Å
122H91.5Very high91.8Very high129 Ų129127.1 Ų127.160%0.59760%0.599SS**G310 helixtrans-57-27177.3-165.664.7000113.2Y119 K120 R124 T125Y119-H122 WeakPolarHBondContact O-CB 3.01Å; Y119-H122 PolarHBondContact O-N 3.15Å; K120-H122 PolarHBondContact O-N 3.48Å; K120-H122 VanDerWaalsContact O-N 3.16Å; H122-R124 PolarHBondContact O-N 3.47Å; H122-T125 PolarHBondContact ND1-OG1 2.8Å; H122-T125 PolarHBondContact O-N 3.07Å; H122-T125 PolarHBondContact O-OG1 3.47Å
123R92.3Very high91.8Very high124 Ų124130.7 Ų130.747%0.46862%0.618SS.*G310 helixtrans-58.5-25.7175.480.8178.6119.1-170.1-5.7113.5E116 K120 K121 T125 M126E116-R123 VanDerWaalsContact CD-CZ 3.49Å; E116-R123 VanDerWaalsContact CG-NH2 3.32Å; E116-R123 IonicContact OE1-CZ 2.85Å; E116-R123 VanDerWaalsContact OE1-CZ 3.27Å; E116-R123 IonicContact OE1-NE 2.94Å; E116-R123 IonicContact OE1-NH2 3.32Å; E116-R123 PolarHBondContact OE1-NH2 3.12Å; E116-R123 IonicContact OE2-CZ 3.27Å; E116-R123 IonicContact OE2-NE 3.52Å; E116-R123 PolarHBondContact OE2-NE 3.49Å; E116-R123 IonicContact OE2-NH2 2.83Å; E116-R123 PolarHBondContact OE2-NH2 3.27Å; K120-R123 VanDerWaalsContact O-CG 3.3Å; K120-R123 WeakPolarHBondContact O-CG 3.33Å; K120-R123 PolarHBondContact O-N 3.41Å; K120-R123 VanDerWaalsContact O-N 3.15Å; K120-R123 PolarHBondContact O-NE 2.94Å; K121-R123 PolarHBondContact O-N 2.96Å; K121-R123 VanDerWaalsContact O-N 3.12Å; R123-T125 VanDerWaalsContact C-N 3.28Å; R123-T125 PolarHBondContact O-N 3.05Å; R123-M126 HydrophobicContact CB-CE 3.92Å; R123-M126 PolarHBondContact O-N 2.99Å
124R92.8Very high91.9Very high134 Ų134133.8 Ų133.851%0.50663%0.631SS.*G310 helixtrans-74.3-18.1-178.9-63.2-179.3176.1-155.7-18.6113.3K121 H122 M126K121-R124 VanDerWaalsContact O-CB 3.31Å; K121-R124 WeakPolarHBondContact O-CB 3.31Å; K121-R124 PolarHBondContact O-N 2.83Å; H122-R124 PolarHBondContact O-N 3.47Å; R124-M126 VanDerWaalsContact C-N 3.34Å
125T93.2Very high91.8Very high95 Ų95133.2 Ų133.258%0.58363%0.634SS**G310 helixtrans-86-11.1176.660.90000112.1H122 R123 I127H122-T125 PolarHBondContact ND1-OG1 2.8Å; H122-T125 PolarHBondContact O-N 3.07Å; H122-T125 PolarHBondContact O-OG1 3.47Å; R123-T125 VanDerWaalsContact C-N 3.28Å; R123-T125 PolarHBondContact O-N 3.05Å; T125-I127 PolarHBondContact O-N 3.38Å
126M93.4Very high91.6Very high138 Ų138132.2 Ų132.268%0.6864%0.635SS**PPolyproline II helixtrans-74.3124.1175.1-65.7-167.2-76.100110.3R123 R124R123-M126 HydrophobicContact CB-CE 3.92Å; R123-M126 PolarHBondContact O-N 2.99Å; R124-M126 VanDerWaalsContact C-N 3.34Å
127I94.6Very high91.2Very high157 Ų157133.1 Ų133.181%0.80565%0.649SS**PPolyproline II helixtrans-94.3156.1172.162.9172000110.2T125 S129T125-I127 PolarHBondContact O-N 3.38Å; I127-S129 PolarHBondContact O-N 3.32Å
128I94.3Very high90.2Very high165 Ų165134.4 Ų134.485%0.84666%0.656SS**PPolyproline II helixtrans-65.6125.9174.9-57.2174.8000107.8
129S91.6Very high89Confident54 Ų54128.2 Ų128.238%0.37864%0.641SS.*PPolyproline II helixtrans-69.4154.2173.864.90000110.3I127 R132I127-S129 PolarHBondContact O-N 3.32Å; S129-R132 PolarHBondContact OG-NE 3.11Å; S129-R132 VanDerWaalsContact OG-NE 3.11Å
130P94.3Very high87.5Confident113 Ų113127.9 Ų127.973%0.73464%0.644SS**PPolyproline II helixtrans-56.7170.116727.1-35.8000111.4R132P130-R132 PolarHBondContact O-N 3.44Å
131E93.3Very high86Confident196 Ų196132.2 Ų132.292%0.91666%0.659SS**PPolyproline II helixtrans-50.7135.6174.5-172.3176.6-176.800111.1
132R90.9Very high84.5Confident200 Ų200130.5 Ų130.576%0.75566%0.663SS**  trans-112.1127.6178.9-62.9-177.1-178.6-142.5-0.1108.5S129 P130S129-R132 PolarHBondContact OG-NE 3.11Å; S129-R132 VanDerWaalsContact OG-NE 3.11Å; P130-R132 PolarHBondContact O-N 3.44Å
133L89.4Confident82.7Confident167 Ų167128.8 Ų128.887%0.87467%0.671SS**  trans-66.1130.6173.5-174.970.2000109.9
134D90.2Very high80.4Confident91 Ų91130.7 Ų130.749%0.48771%0.713SS.*  trans-90.6112.6170177.66.9000109.6F136 A137D134-F136 PolarHBondContact O-N 3.37Å; D134-F136 PolarHBondContact OD1-N 3.21Å; D134-A137 HydrophobicContact CB-CB 4.16Å; D134-A137 PolarHBondContact O-N 2.98Å
135P85.9Confident79.8Confident107 Ų107130.5 Ų130.570%0.69572%0.724SS**THydrogen-bonded Turntrans-69.6-11.7-17829.5-35.1000113.8
136F85.5Confident79.1Confident172 Ų172132.4 Ų132.475%0.75473%0.731SS**THydrogen-bonded Turntrans-102.7-1.5-179.6-59.1-75000113.6D134 D138 G139D134-F136 PolarHBondContact O-N 3.37Å; D134-F136 PolarHBondContact OD1-N 3.21Å; F136-D138 PolarHBondContact O-N 3.18Å; F136-G139 PolarHBondContact O-N 3.09Å
137A81.3Confident78.3Confident55 Ų55132.1 Ų132.146%0.45573%0.734SS.*G310 helixtrans-59.2-32.4-178.300000113.2D134D134-A137 HydrophobicContact CB-CB 4.16Å; D134-A137 PolarHBondContact O-N 2.98Å
138D71.5Confident77.3Confident109 Ų109130.6 Ų130.658%0.58373%0.73SS**G310 helixtrans-91.56.4-178.1-76.2-16.2000114.7F136 F140 Y141 S142F136-D138 PolarHBondContact O-N 3.18Å; D138-F140 PolarHBondContact O-N 3.23Å; D138-F140 VanDerWaalsContact O-N 3.09Å; D138-Y141 PolarHBondContact O-N 2.91Å; D138-S142 PolarHBondContact O-N 3.29Å; D138-S142 PolarHBondContact O-OG 3.07Å
139G64.8Low76.2Confident53 Ų53128.4 Ų128.455%0.54672%0.722SS.*G310 helixtrans-62.6-16-179.200000114.8F136F136-G139 PolarHBondContact O-N 3.09Å
140F59.9Low75.2Confident192 Ų192133.4 Ų133.484%0.84275%0.745SS**G310 helixtrans-102.1-13.4174.7-73.8-79.6000114.2D138D138-F140 PolarHBondContact O-N 3.23Å; D138-F140 VanDerWaalsContact O-N 3.09Å
141Y61.6Low73.9Confident197 Ų197134.9 Ų134.977%0.77375%0.746SS**THydrogen-bonded Turntrans-109.1-7.9-172.3-63.5-69.4000114.5D138D138-Y141 PolarHBondContact O-N 2.91Å
142S61.4Low72.4Confident92 Ų92130.2 Ų130.264%0.64373%0.733SS**SBendtrans-110.75.6-175.555.80000115.3D138D138-S142 PolarHBondContact O-N 3.29Å; D138-S142 PolarHBondContact O-OG 3.07Å
143A54.1Low70.8Confident93 Ų93124.3 Ų124.377%0.76973%0.731SS**  trans-111.625.5-175.600000115
144A44.3Very low69.1Low164 Ų164120.5 Ų120.5100%1.35572%0.718SS**  trans-122.20171.900000110.2

Retrieved 144 of 144 residues in 52.1 ms (Link to these results)