A0A087WNS2_MOUSE Loading...

Splicing factor 3b, subunit 1 AlphaSync

AlphaFold DB (O75533-2), UniProt , Accession A0A087WNS2, Species MOUSE (Mus musculus, Mouse), Gene Sf3b1, Length 144 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
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 125.2 ms (Link to these results)