A0A3B5BHK1_9TELE Loading...

E3 ubiquitin-protein ligase NRDP1

AlphaFold DB , UniProt , Accession A0A3B5BHK1, Species 9TELE (Stegastes partitus, bicolor damselfish), Gene rnf41, Length 318 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M83.4Confident91.5Very high109 Ų10975.7 Ų75.754%0.53742%0.421SS..  0133.30-58.8-167.6-172.900107C21 A41 C42 Q45M1-C21 PolarHBondContact O-SG 2.99Å; M1-A41 HydrophobicContact CE-CB 3.98Å; M1-A41 HydrophobicContact CG-CB 4Å; M1-A41 HydrophobicContact SD-CB 3.47Å; M1-A41 WeakPolarHBondContact SD-CB 3.31Å; M1-C42 WeakPolarHBondContact CB-SG 3.36Å; M1-C42 VanDerWaalsContact SD-CA 3.57Å; M1-C42 HydrophobicContact SD-CB 4.17Å; M1-C42 PolarHBondContact SD-N 2.81Å; M1-C42 PolarHBondContact SD-SG 3.11Å; M1-Q45 HydrophobicContact CE-CB 4.34Å
2G90.4Very high91.6Very high17 Ų1771.1 Ų71.118%0.17540%0.396CS..  trans76152.4-170.100000111.4V24 E26G2-V24 CarbonylContact C-O 3.5Å; G2-V24 VanDerWaalsContact CA-O 3.32Å; G2-V24 WeakPolarHBondContact CA-O 3.29Å; G2-E26 PolarHBondContact N-OE2 3.35Å
3Y94.6Very high91.7Very high33 Ų3371.6 Ų71.613%0.12940%0.398CS..BIsolated β-bridgetrans-82.4139.6177-55.8-77.4000110.6V5 F8 G23 V24 E26 I81 L96 L99Y3-V5 PolarHBondContact O-N 3.26Å; Y3-F8 HydrophobicContact CD2-CZ 4.42Å; Y3-F8 HydrophobicContact CG-CZ 4.24Å; Y3-G23 CarbonylContact O-C 3.54Å; Y3-G23 VanDerWaalsContact O-CA 3.31Å; Y3-G23 WeakPolarHBondContact O-CA 3.21Å; Y3-V24 PolarHBondContact N-O 3.06Å; Y3-V24 PolarHBondContact O-N 2.83Å; Y3-E26 HydrophobicContact CD2-CB 4.09Å; Y3-E26 HydrophobicContact CE2-CB 3.76Å; Y3-E26 HydrophobicContact CE2-CG 4.01Å; Y3-I81 HydrophobicContact CD1-CD1 4.26Å; Y3-I81 HydrophobicContact CG-CD1 4.42Å; Y3-L96 HydrophobicContact CD1-CD1 4.26Å; Y3-L96 HydrophobicContact CD2-CD1 3.93Å; Y3-L96 HydrophobicContact CD2-CD2 4.15Å; Y3-L96 HydrophobicContact CE1-CD1 4.16Å; Y3-L96 HydrophobicContact CE2-CD1 3.78Å; Y3-L96 HydrophobicContact CE2-CD2 3.99Å; Y3-L96 HydrophobicContact CE2-CG 4.23Å; Y3-L96 HydrophobicContact CG-CD1 4.17Å; Y3-L99 HydrophobicContact CD1-CD2 4.21Å; Y3-L99 HydrophobicContact CE1-CD2 3.88Å
4D93.9Very high91.7Very high85 Ų8578.2 Ų78.246%0.45542%0.424SS..  trans-63.7123.5174.7-176.5-13.2000110.5T6 R7 F8D4-T6 PolarHBondContact O-N 3.33Å; D4-T6 WeakPolarHBondContact OD1-CB 3.46Å; D4-T6 WeakPolarHBondContact OD1-CG2 3.33Å; D4-T6 PolarHBondContact OD1-N 3.49Å; D4-T6 PolarHBondContact OD1-OG1 3.14Å; D4-T6 PolarHBondContact OD2-OG1 2.98Å; D4-T6 VanDerWaalsContact OD2-OG1 3.09Å; D4-R7 HydrophobicContact CB-CG 4.22Å; D4-R7 WeakPolarHBondContact O-CB 3.24Å; D4-R7 PolarHBondContact O-N 3.43Å; D4-F8 WeakPolarHBondContact O-CD2 3.42Å
5V93.8Very high91.7Very high54 Ų5481.1 Ų81.133%0.32744%0.44SS..G310 helixtrans-59.7-32.5-177.4-173.50000111.4Y3 R7 F8 V12 L17 V24Y3-V5 PolarHBondContact O-N 3.26Å; V5-R7 PolarHBondContact O-N 3.15Å; V5-R7 VanDerWaalsContact O-N 3.09Å; V5-F8 PolarHBondContact O-N 2.82Å; V5-F8 VanDerWaalsContact O-N 3.13Å; V5-V12 HydrophobicContact CG1-CG2 4.33Å; V5-L17 HydrophobicContact CG2-CD2 3.83Å; V5-V24 HydrophobicContact CG2-CG2 4.16Å
6T92.3Very high92Very high115 Ų11576.3 Ų76.371%0.70641%0.413SS*.G310 helixtrans-65.5-15.7-178.264.90000113.7D4D4-T6 PolarHBondContact O-N 3.33Å; D4-T6 WeakPolarHBondContact OD1-CB 3.46Å; D4-T6 WeakPolarHBondContact OD1-CG2 3.33Å; D4-T6 PolarHBondContact OD1-N 3.49Å; D4-T6 PolarHBondContact OD1-OG1 3.14Å; D4-T6 PolarHBondContact OD2-OG1 2.98Å; D4-T6 VanDerWaalsContact OD2-OG1 3.09Å
7R94.4Very high92.2Very high38 Ų3874.7 Ų74.714%0.14340%0.404CS..G310 helixtrans-84.9-13.4179-65173.654.3-166.73.2113.6D4 V5 I81 N82 D84D4-R7 HydrophobicContact CB-CG 4.22Å; D4-R7 WeakPolarHBondContact O-CB 3.24Å; D4-R7 PolarHBondContact O-N 3.43Å; V5-R7 PolarHBondContact O-N 3.15Å; V5-R7 VanDerWaalsContact O-N 3.09Å; R7-I81 HydrophobicContact CB-CD1 4.17Å; R7-I81 HydrophobicContact CB-CG1 3.75Å; R7-I81 WeakPolarHBondContact O-CA 3.38Å; R7-N82 PolarHBondContact NE-O 3.26Å; R7-N82 VanDerWaalsContact NE-O 3.11Å; R7-N82 PolarHBondContact NH2-O 2.97Å; R7-N82 PolarHBondContact O-N 3.35Å; R7-D84 VanDerWaalsContact CZ-CG 3.41Å; R7-D84 IonicContact CZ-OD1 2.8Å; R7-D84 IonicContact CZ-OD2 2.89Å; R7-D84 IonicContact NE-OD1 3.98Å; R7-D84 VanDerWaalsContact NH1-CG 3.33Å; R7-D84 IonicContact NH1-OD1 3.51Å; R7-D84 PolarHBondContact NH1-OD1 3.39Å; R7-D84 IonicContact NH1-OD2 3.95Å; R7-D84 PolarHBondContact NH1-OD2 3.3Å; R7-D84 VanDerWaalsContact NH2-N 3.16Å; R7-D84 IonicContact NH2-OD1 3.04Å; R7-D84 PolarHBondContact NH2-OD1 2.95Å; R7-D84 IonicContact NH2-OD2 3.86Å; R7-D84 PolarHBondContact NH2-OD2 3.33Å
8F94.9Very high92.5Very high15 Ų1570.6 Ų70.67%0.06638%0.382CS..BIsolated β-bridgetrans-84.9147-177.6-71-91.4000111.3Y3 D4 V5 V12 V24 L79 Q80 I81 L96Y3-F8 HydrophobicContact CD2-CZ 4.42Å; Y3-F8 HydrophobicContact CG-CZ 4.24Å; D4-F8 WeakPolarHBondContact O-CD2 3.42Å; V5-F8 PolarHBondContact O-N 2.82Å; V5-F8 VanDerWaalsContact O-N 3.13Å; F8-V12 HydrophobicContact CB-CG2 3.58Å; F8-V12 HydrophobicContact CD1-CG2 4.41Å; F8-V12 HydrophobicContact CD2-CG2 4.32Å; F8-V12 HydrophobicContact CG-CG2 3.86Å; F8-V24 HydrophobicContact CD2-CG2 3.67Å; F8-V24 HydrophobicContact CE1-CG1 4.41Å; F8-V24 HydrophobicContact CE2-CB 3.69Å; F8-V24 HydrophobicContact CE2-CG1 4.23Å; F8-V24 HydrophobicContact CE2-CG2 3.3Å; F8-V24 HydrophobicContact CG-CG2 4.42Å; F8-V24 HydrophobicContact CZ-CB 3.79Å; F8-V24 HydrophobicContact CZ-CG1 3.83Å; F8-V24 HydrophobicContact CZ-CG2 3.79Å; F8-L79 HydrophobicContact CD1-CB 3.72Å; F8-L79 HydrophobicContact CD1-CD1 4.16Å; F8-L79 HydrophobicContact CD1-CG 4.48Å; F8-L79 HydrophobicContact CE1-CB 3.66Å; F8-L79 HydrophobicContact CE1-CD1 3.86Å; F8-L79 HydrophobicContact CE1-CG 4.41Å; F8-Q80 CarbonylContact C-O 3.5Å; F8-Q80 VanDerWaalsContact CA-O 3.3Å; F8-Q80 WeakPolarHBondContact CA-O 3.42Å; F8-Q80 WeakPolarHBondContact CD1-O 3.37Å; F8-I81 HydrophobicContact CD1-CB 3.89Å; F8-I81 HydrophobicContact CD1-CG1 4.15Å; F8-I81 HydrophobicContact CD2-CD1 4.34Å; F8-I81 HydrophobicContact CD2-CG1 4.27Å; F8-I81 HydrophobicContact CE1-CB 3.8Å; F8-I81 HydrophobicContact CE1-CD1 4.02Å; F8-I81 HydrophobicContact CE1-CG1 4.04Å; F8-I81 HydrophobicContact CE2-CD1 3.73Å; F8-I81 HydrophobicContact CE2-CG1 4.13Å; F8-I81 HydrophobicContact CG-CB 4.47Å; F8-I81 HydrophobicContact CG-CG1 4.3Å; F8-I81 HydrophobicContact CZ-CB 4.28Å; F8-I81 HydrophobicContact CZ-CD1 3.57Å; F8-I81 HydrophobicContact CZ-CG1 4.04Å; F8-L96 HydrophobicContact CE1-CD1 4.1Å; F8-L96 HydrophobicContact CE1-CD2 4.24Å; F8-L96 HydrophobicContact CZ-CD1 3.99Å; F8-L96 HydrophobicContact CZ-CD2 4.28Å
9Q92.4Very high92.7Very high100 Ų10070.8 Ų70.847%0.46739%0.388SS..SBendtrans-84.4126.2172.3-66.1-160.3-9.400110.4Q80 T93Q9-Q80 HydrophobicContact CB-CB 4.17Å; Q9-Q80 HydrophobicContact CG-CB 4.46Å; Q9-Q80 PolarHBondContact N-O 3.22Å; Q9-T93 HydrophobicContact CG-CG2 3.82Å; Q9-T93 PolarHBondContact NE2-OG1 2.99Å
10G87.9Confident92.8Very high68 Ų6870.4 Ų70.470%0.70138%0.384SS*.SBendtrans80.3-173-178.300000113.1
11E88.7Confident93Very high199 Ų19969.3 Ų69.393%0.9338%0.381SS*.PPolyproline II helixtrans-78.7131.9176.8-66.8-179.7173.700110.1
12V92.7Very high93.5Very high20 Ų2068.3 Ų68.312%0.12139%0.385CS..PPolyproline II helixtrans-92.8130.5173.5-176.70000108.4V5 F8 E14 L16 L17 V24 L79V5-V12 HydrophobicContact CG1-CG2 4.33Å; F8-V12 HydrophobicContact CB-CG2 3.58Å; F8-V12 HydrophobicContact CD1-CG2 4.41Å; F8-V12 HydrophobicContact CD2-CG2 4.32Å; F8-V12 HydrophobicContact CG-CG2 3.86Å; V12-E14 PolarHBondContact O-N 3.1Å; V12-L16 HydrophobicContact CG1-CB 4.19Å; V12-L17 HydrophobicContact CG1-CD2 4.21Å; V12-V24 HydrophobicContact CB-CG2 4.45Å; V12-V24 HydrophobicContact CG1-CG1 4.48Å; V12-V24 HydrophobicContact CG1-CG2 3.87Å; V12-V24 HydrophobicContact CG2-CG2 4.23Å; V12-L79 HydrophobicContact CG1-CD1 4.07Å
13D93.1Very high93.8Very high78 Ų7867.9 Ų67.942%0.41738%0.38SS..PPolyproline II helixtrans-56.3132.9175.8-166.3-30.3000111D15 L16D13-D15 PolarHBondContact O-N 3.41Å; D13-D15 PolarHBondContact OD1-N 2.86Å; D13-D15 VanDerWaalsContact OD1-N 3.13Å; D13-L16 HydrophobicContact CB-CD1 4.24Å; D13-L16 HydrophobicContact CB-CG 4.16Å; D13-L16 WeakPolarHBondContact O-CB 3.45Å; D13-L16 PolarHBondContact O-N 3.35Å
14E91.5Very high93.9Very high164 Ų16466.3 Ų66.377%0.76637%0.374SS*.G310 helixtrans-60.4-29.9-178.2-65.7-173.1171.900111.9V12 L16 L17V12-E14 PolarHBondContact O-N 3.1Å; E14-L16 PolarHBondContact O-N 3.47Å; E14-L16 VanDerWaalsContact O-N 3.13Å; E14-L17 WeakPolarHBondContact O-CB 3.44Å; E14-L17 PolarHBondContact O-N 3.25Å
15D91.9Very high94Very high122 Ų12262.4 Ų62.465%0.65235%0.353SS*.G310 helixtrans-65.6-14.2176.6-75-18.5000113.1D13D13-D15 PolarHBondContact O-N 3.41Å; D13-D15 PolarHBondContact OD1-N 2.86Å; D13-D15 VanDerWaalsContact OD1-N 3.13Å
16L95.6Very high94.1Very high4 Ų462.6 Ų62.62%0.02135%0.351CS..G310 helixtrans-98.22.4177.7-56.8-175.9000113.1V12 D13 E14 L25 M72 M75 L76 L79V12-L16 HydrophobicContact CG1-CB 4.19Å; D13-L16 HydrophobicContact CB-CD1 4.24Å; D13-L16 HydrophobicContact CB-CG 4.16Å; D13-L16 WeakPolarHBondContact O-CB 3.45Å; D13-L16 PolarHBondContact O-N 3.35Å; E14-L16 PolarHBondContact O-N 3.47Å; E14-L16 VanDerWaalsContact O-N 3.13Å; L16-L25 VanDerWaalsContact O-CG 3.3Å; L16-L25 WeakPolarHBondContact O-CG 3.38Å; L16-L25 PolarHBondContact O-N 3.1Å; L16-M72 HydrophobicContact CD2-CG 3.74Å; L16-M75 HydrophobicContact CD1-CB 4.13Å; L16-M75 HydrophobicContact CD2-CB 4.3Å; L16-L76 HydrophobicContact CB-CD2 3.94Å; L16-L76 HydrophobicContact CD1-CD2 4.24Å; L16-L76 HydrophobicContact CD2-CD2 4.15Å; L16-L76 HydrophobicContact CD2-CG 4.05Å; L16-L76 HydrophobicContact CG-CD2 4.33Å; L16-L79 HydrophobicContact CD1-CD1 4Å; L16-L79 HydrophobicContact CD1-CD2 4.34Å; L16-L79 HydrophobicContact CD1-CG 4.4Å
17L96.6Very high94.2Very high49 Ų4963.8 Ų63.826%0.25735%0.348SS..BIsolated β-bridgetrans-94.5141.1178.9-57-178.7000111V5 V12 E14 P19 G23 V24V5-L17 HydrophobicContact CG2-CD2 3.83Å; V12-L17 HydrophobicContact CG1-CD2 4.21Å; E14-L17 WeakPolarHBondContact O-CB 3.44Å; E14-L17 PolarHBondContact O-N 3.25Å; L17-P19 WeakPolarHBondContact O-CD 3.33Å; L17-G23 WeakPolarHBondContact CA-O 3.33Å; L17-V24 HydrophobicContact CD2-CB 4.49Å; L17-V24 HydrophobicContact CD2-CG2 3.86Å
18C97.1Very high94.3Very high1 Ų163.1 Ų63.11%0.00735%0.349CS..  trans-78.7125174.5-1760000110.3I20 S22 G23 L25 C39C18-I20 PolarHBondContact O-N 2.81Å; C18-I20 VanDerWaalsContact O-N 3.07Å; C18-S22 WeakPolarHBondContact O-CA 3.4Å; C18-S22 PolarHBondContact O-N 3.09Å; C18-G23 PolarHBondContact N-O 3Å; C18-L25 HydrophobicContact CB-CD2 3.76Å; C18-L25 HydrophobicContact CB-CG 4.47Å; C18-C39 VanDerWaalsContact CB-SG 3.58Å; C18-C39 PolarHBondContact SG-N 3.08Å; C18-C39 VanDerWaalsContact SG-N 3.43Å
19P95.3Very high94.3Very high75 Ų7563.4 Ų63.449%0.48735%0.352SS..THydrogen-bonded Turntrans-64.4-15.6178.2-24.134.5000114.9L17 A37 F38 V55L17-P19 WeakPolarHBondContact O-CD 3.33Å; P19-A37 VanDerWaalsContact CD-O 3.29Å; P19-A37 WeakPolarHBondContact CD-O 3.47Å; P19-F38 HydrophobicContact CB-CE1 4.25Å; P19-F38 HydrophobicContact CG-CD1 4.36Å; P19-F38 HydrophobicContact CG-CE1 4.02Å; P19-V55 HydrophobicContact CB-CG2 3.94Å; P19-V55 HydrophobicContact CG-CG2 3.94Å
20I95.4Very high94.5Very high62 Ų6260 Ų6032%0.31834%0.336SS..THydrogen-bonded Turntrans-89.7-49.4-177.2-58.5167.2000111.3C18 F38 C42 I43 P54C18-I20 PolarHBondContact O-N 2.81Å; C18-I20 VanDerWaalsContact O-N 3.07Å; I20-F38 HydrophobicContact CD1-CB 4.33Å; I20-F38 HydrophobicContact CD1-CD1 3.59Å; I20-F38 HydrophobicContact CD1-CE1 4.26Å; I20-F38 HydrophobicContact CD1-CG 4.18Å; I20-F38 HydrophobicContact CG1-CD1 3.84Å; I20-F38 HydrophobicContact CG1-CE1 4.25Å; I20-C42 HydrophobicContact CB-CB 3.93Å; I20-C42 HydrophobicContact CD1-CB 3.69Å; I20-C42 HydrophobicContact CG1-CB 4.42Å; I20-C42 HydrophobicContact CG2-CB 3.94Å; I20-I43 HydrophobicContact CD1-CB 4.38Å; I20-I43 HydrophobicContact CD1-CD1 4.24Å; I20-P54 HydrophobicContact CD1-CG 3.91Å; I20-P54 HydrophobicContact CG1-CB 4.31Å; I20-P54 HydrophobicContact CG1-CG 4.03Å
21C96.3Very high94.7Very high48 Ų4856.9 Ų56.932%0.32430%0.303SS..THydrogen-bonded Turntrans-103.1-5.9-177.569.50000114.2M1 G23M1-C21 PolarHBondContact O-SG 2.99Å; C21-G23 PolarHBondContact O-N 3.17Å
22S95.2Very high94.7Very high87 Ų8749.1 Ų49.161%0.60827%0.27SS*.  trans5810.7-176.3-520000115.1C18C18-S22 WeakPolarHBondContact O-CA 3.4Å; C18-S22 PolarHBondContact O-N 3.09Å
23G96Very high94.4Very high8 Ų855 Ų558%0.08230%0.296CS..SBendtrans-92.8167.7172.500000112.3Y3 L17 C18 C21Y3-G23 CarbonylContact O-C 3.54Å; Y3-G23 VanDerWaalsContact O-CA 3.31Å; Y3-G23 WeakPolarHBondContact O-CA 3.21Å; L17-G23 WeakPolarHBondContact CA-O 3.33Å; C18-G23 PolarHBondContact N-O 3Å; C21-G23 PolarHBondContact O-N 3.17Å
24V96.8Very high94.3Very high0 Ų052.4 Ų52.40%028%0.284CS..BIsolated β-bridgetrans-64136.5172.8-175.30000109.4G2 Y3 V5 F8 V12 L17 E26 L76 L79G2-V24 CarbonylContact C-O 3.5Å; G2-V24 VanDerWaalsContact CA-O 3.32Å; G2-V24 WeakPolarHBondContact CA-O 3.29Å; Y3-V24 PolarHBondContact N-O 3.06Å; Y3-V24 PolarHBondContact O-N 2.83Å; V5-V24 HydrophobicContact CG2-CG2 4.16Å; F8-V24 HydrophobicContact CD2-CG2 3.67Å; F8-V24 HydrophobicContact CE1-CG1 4.41Å; F8-V24 HydrophobicContact CE2-CB 3.69Å; F8-V24 HydrophobicContact CE2-CG1 4.23Å; F8-V24 HydrophobicContact CE2-CG2 3.3Å; F8-V24 HydrophobicContact CG-CG2 4.42Å; F8-V24 HydrophobicContact CZ-CB 3.79Å; F8-V24 HydrophobicContact CZ-CG1 3.83Å; F8-V24 HydrophobicContact CZ-CG2 3.79Å; V12-V24 HydrophobicContact CB-CG2 4.45Å; V12-V24 HydrophobicContact CG1-CG1 4.48Å; V12-V24 HydrophobicContact CG1-CG2 3.87Å; V12-V24 HydrophobicContact CG2-CG2 4.23Å; L17-V24 HydrophobicContact CD2-CB 4.49Å; L17-V24 HydrophobicContact CD2-CG2 3.86Å; V24-E26 PolarHBondContact O-N 2.76Å; V24-L76 HydrophobicContact CG1-CD2 3.67Å; V24-L79 HydrophobicContact CG1-CD1 3.77Å
25L96.7Very high94.3Very high3 Ų351.3 Ų51.32%0.01628%0.279CS..PPolyproline II helixtrans-55.5123.3-173.2-74164.8000113.4L16 C18 P28 A37 F38 M72 L76L16-L25 VanDerWaalsContact O-CG 3.3Å; L16-L25 WeakPolarHBondContact O-CG 3.38Å; L16-L25 PolarHBondContact O-N 3.1Å; C18-L25 HydrophobicContact CB-CD2 3.76Å; C18-L25 HydrophobicContact CB-CG 4.47Å; L25-P28 HydrophobicContact CB-CB 4.01Å; L25-P28 HydrophobicContact CD1-CB 4.3Å; L25-P28 HydrophobicContact CD2-CB 4.49Å; L25-A37 HydrophobicContact CD1-CB 3.88Å; L25-F38 VanDerWaalsContact CD2-CA 3.49Å; L25-M72 HydrophobicContact CD1-SD 4.17Å; L25-L76 HydrophobicContact CB-CD1 4.21Å; L25-L76 HydrophobicContact CB-CD2 4.25Å
26E95.3Very high94.5Very high58 Ų5848.3 Ų48.327%0.27126%0.261SS..SBendtrans-109.8127.2174.5178178.5-145.600109.6G2 Y3 V24 C39 N40G2-E26 PolarHBondContact N-OE2 3.35Å; Y3-E26 HydrophobicContact CD2-CB 4.09Å; Y3-E26 HydrophobicContact CE2-CB 3.76Å; Y3-E26 HydrophobicContact CE2-CG 4.01Å; V24-E26 PolarHBondContact O-N 2.76Å; E26-C39 PolarHBondContact N-SG 3.13Å; E26-C39 VanDerWaalsContact O-CA 3.24Å; E26-C39 WeakPolarHBondContact O-CA 3.18Å; E26-C39 WeakPolarHBondContact O-CB 3.32Å; E26-N40 PolarHBondContact O-N 3.19Å
27E94.5Very high94.5Very high141 Ų14148.7 Ų48.766%0.65926%0.264SS*.SBendtrans43.761.2-170.8-62.1-170.2142.900112.2V29 N40E27-V29 PolarHBondContact O-N 2.96Å; E27-N40 HydrophobicContact CB-CB 4.11Å; E27-N40 WeakPolarHBondContact O-CB 3.36Å; E27-N40 PolarHBondContact O-N 3.06Å; E27-N40 VanDerWaalsContact O-N 3.14Å
28P96Very high94.5Very high24 Ų2446.4 Ų46.416%0.15625%0.252CS..EExtended strand (participates in β ladder)trans-64.5133.9-169.523.6-35.8000114L25 F38 V68 L76L25-P28 HydrophobicContact CB-CB 4.01Å; L25-P28 HydrophobicContact CD1-CB 4.3Å; L25-P28 HydrophobicContact CD2-CB 4.49Å; P28-F38 WeakPolarHBondContact CA-O 3.48Å; P28-V68 HydrophobicContact CB-CB 4.31Å; P28-V68 HydrophobicContact CB-CG1 3.68Å; P28-V68 HydrophobicContact CB-CG2 3.67Å; P28-V68 HydrophobicContact CG-CG1 4.46Å; P28-V68 HydrophobicContact CG-CG2 3.48Å; P28-V68 VanDerWaalsContact CG-CG2 3.48Å; P28-L76 HydrophobicContact CB-CD1 4.31Å; P28-L76 HydrophobicContact CG-CD1 3.67Å
29V95.6Very high94.5Very high21 Ų2146.4 Ų46.413%0.12725%0.252CS..EExtended strand (participates in β ladder)trans-123.9152.8170.8-65.20000110.3E27 A37 F38 N40 I43 L65 R66E27-V29 PolarHBondContact O-N 2.96Å; V29-A37 CarbonylContact O-C 3.56Å; V29-A37 VanDerWaalsContact O-CA 3.32Å; V29-A37 WeakPolarHBondContact O-CA 3.5Å; V29-F38 PolarHBondContact N-O 3.46Å; V29-F38 PolarHBondContact O-N 3.28Å; V29-N40 HydrophobicContact CG1-CB 4.19Å; V29-N40 HydrophobicContact CG2-CB 4.47Å; V29-I43 HydrophobicContact CG2-CG2 3.5Å; V29-I43 VanDerWaalsContact CG2-CG2 3.5Å; V29-L65 HydrophobicContact CB-CB 4.42Å; V29-L65 HydrophobicContact CG2-CD1 4.1Å; V29-R66 CarbonylContact C-O 3.52Å; V29-R66 WeakPolarHBondContact CA-O 3.47Å
30Q95.7Very high94.5Very high29 Ų2945.8 Ų45.814%0.13625%0.245CC..EExtended strand (participates in β ladder)trans-123.9140.1-175.8-159.7-177.232.100111E35 H36 R66 V68Q30-E35 WeakPolarHBondContact CG-O 3.36Å; Q30-E35 PolarHBondContact NE2-O 3.22Å; Q30-H36 WeakPolarHBondContact CA-O 3.32Å; Q30-R66 PolarHBondContact N-O 2.81Å; Q30-R66 PolarHBondContact O-N 3.19Å; Q30-V68 HydrophobicContact CB-CG1 4.01Å
31A93.3Very high94.5Very high2 Ų245 Ų452%0.01725%0.247CC..  trans-75.6128.1167.400000110.2H33 C34 E35 H36 V60A31-H33 PolarHBondContact O-N 3.34Å; A31-C34 VanDerWaalsContact CB-SG 3.57Å; A31-E35 VanDerWaalsContact O-CA 3.27Å; A31-E35 WeakPolarHBondContact O-CA 3.39Å; A31-E35 PolarHBondContact O-N 2.76Å; A31-H36 PolarHBondContact N-O 2.74Å; A31-V60 HydrophobicContact CB-CG1 4.17Å; A31-V60 HydrophobicContact CB-CG2 4.16Å
32P87.3Confident94.5Very high35 Ų3542.9 Ų42.923%0.22723%0.233CC..THydrogen-bonded Turntrans-73.1-21.7-16928.8-37.5000114.8H64P32-H64 WeakPolarHBondContact CD-O 3.48Å; P32-H64 HydrophobicContact CG-CB 4.25Å; P32-H64 VanDerWaalsContact CG-O 3.27Å; P32-H64 WeakPolarHBondContact CG-O 3.45Å
33H86.6Confident94.5Very high145 Ų14538.8 Ų38.867%0.67120%0.204SC*.THydrogen-bonded Turntrans-98.2-28.2-174.8-62.6-56.8000113.9A31A31-H33 PolarHBondContact O-N 3.34Å
34C91.4Very high94.4Very high23 Ų2341 Ų4116%0.15522%0.216CC..THydrogen-bonded Turntrans-118.30.5-17959.80000113.6A31 H36 C53 D56A31-C34 VanDerWaalsContact CB-SG 3.57Å; C34-H36 PolarHBondContact O-CE1 3.02Å; C34-H36 PolarHBondContact O-N 3.13Å; C34-H36 PolarHBondContact O-ND1 2.92Å; C34-H36 PolarHBondContact SG-ND1 3.05Å; C34-H36 VanDerWaalsContact SG-ND1 3.42Å; C34-C53 VanDerWaalsContact SG-SG 3.7Å; C34-D56 WeakPolarHBondContact CB-OD2 3.3Å
35E92.8Very high94.3Very high141 Ų14146.5 Ų46.566%0.65924%0.242SC*.  trans59.18.7171.9-59.2-173.9171.600116Q30 A31Q30-E35 WeakPolarHBondContact CG-O 3.36Å; Q30-E35 PolarHBondContact NE2-O 3.22Å; A31-E35 VanDerWaalsContact O-CA 3.27Å; A31-E35 WeakPolarHBondContact O-CA 3.39Å; A31-E35 PolarHBondContact O-N 2.76Å
36H94.4Very high94.1Very high59 Ų5950.5 Ų50.527%0.27326%0.257SS..  trans-69.4134.9173.6-62.6106.3000111.7Q30 A31 C34 F38 V55 D56Q30-H36 WeakPolarHBondContact CA-O 3.32Å; A31-H36 PolarHBondContact N-O 2.74Å; C34-H36 PolarHBondContact O-CE1 3.02Å; C34-H36 PolarHBondContact O-N 3.13Å; C34-H36 PolarHBondContact O-ND1 2.92Å; C34-H36 PolarHBondContact SG-ND1 3.05Å; C34-H36 VanDerWaalsContact SG-ND1 3.42Å; H36-F38 HydrophobicContact CB-CE2 3.71Å; H36-F38 HydrophobicContact CB-CZ 3.6Å; H36-F38 WeakPolarHBondContact O-CE2 3Å; H36-V55 HydrophobicContact CB-CG2 4.32Å; H36-V55 VanDerWaalsContact NE2-CG1 3.32Å; H36-V55 WeakPolarHBondContact NE2-CG1 3.44Å; H36-D56 IonicContact CE1-OD2 3.73Å
37A95.9Very high94Very high12 Ų1248.3 Ų48.310%0.09925%0.247CC..EExtended strand (participates in β ladder)trans-104.5143.8-179.500000112.2P19 L25 V29 V68 M72P19-A37 VanDerWaalsContact CD-O 3.29Å; P19-A37 WeakPolarHBondContact CD-O 3.47Å; L25-A37 HydrophobicContact CD1-CB 3.88Å; V29-A37 CarbonylContact O-C 3.56Å; V29-A37 VanDerWaalsContact O-CA 3.32Å; V29-A37 WeakPolarHBondContact O-CA 3.5Å; A37-V68 HydrophobicContact CB-CG1 3.88Å; A37-M72 HydrophobicContact CB-CE 4.28Å; A37-M72 HydrophobicContact CB-SD 3.97Å
38F96.7Very high93.8Very high1 Ų145.8 Ų45.80%0.00425%0.25CS..EExtended strand (participates in β ladder)trans-143156.6-178.1-51.7-81.7000110.9P19 I20 L25 P28 V29 H36 I43 P54 V55P19-F38 HydrophobicContact CB-CE1 4.25Å; P19-F38 HydrophobicContact CG-CD1 4.36Å; P19-F38 HydrophobicContact CG-CE1 4.02Å; I20-F38 HydrophobicContact CD1-CB 4.33Å; I20-F38 HydrophobicContact CD1-CD1 3.59Å; I20-F38 HydrophobicContact CD1-CE1 4.26Å; I20-F38 HydrophobicContact CD1-CG 4.18Å; I20-F38 HydrophobicContact CG1-CD1 3.84Å; I20-F38 HydrophobicContact CG1-CE1 4.25Å; L25-F38 VanDerWaalsContact CD2-CA 3.49Å; P28-F38 WeakPolarHBondContact CA-O 3.48Å; V29-F38 PolarHBondContact N-O 3.46Å; V29-F38 PolarHBondContact O-N 3.28Å; H36-F38 HydrophobicContact CB-CE2 3.71Å; H36-F38 HydrophobicContact CB-CZ 3.6Å; H36-F38 WeakPolarHBondContact O-CE2 3Å; F38-I43 HydrophobicContact CB-CB 3.78Å; F38-I43 HydrophobicContact CB-CG1 4.47Å; F38-I43 HydrophobicContact CB-CG2 4.22Å; F38-I43 HydrophobicContact CD2-CB 4.33Å; F38-I43 HydrophobicContact CD2-CD1 3.92Å; F38-I43 HydrophobicContact CD2-CG1 4.09Å; F38-I43 HydrophobicContact CE2-CD1 4.16Å; F38-I43 HydrophobicContact CG-CB 4.13Å; F38-I43 HydrophobicContact CG-CD1 4.11Å; F38-I43 HydrophobicContact CG-CG1 4.33Å; F38-P54 HydrophobicContact CE1-CB 4.23Å; F38-P54 HydrophobicContact CE1-CG 3.9Å; F38-P54 HydrophobicContact CZ-CG 4.17Å; F38-V55 HydrophobicContact CE1-CG2 3.92Å; F38-V55 HydrophobicContact CZ-CG2 3.9Å
39C97.4Very high93.6Very high1 Ų151.2 Ų51.21%0.00727%0.274CS..EExtended strand (participates in β ladder)trans-63.2137.1164.2-55.70000108.7C18 E26 A41 C42 I43C18-C39 VanDerWaalsContact CB-SG 3.58Å; C18-C39 PolarHBondContact SG-N 3.08Å; C18-C39 VanDerWaalsContact SG-N 3.43Å; E26-C39 PolarHBondContact N-SG 3.13Å; E26-C39 VanDerWaalsContact O-CA 3.24Å; E26-C39 WeakPolarHBondContact O-CA 3.18Å; E26-C39 WeakPolarHBondContact O-CB 3.32Å; C39-A41 VanDerWaalsContact C-N 3.29Å; C39-A41 PolarHBondContact O-N 3.1Å; C39-C42 HydrophobicContact CB-CB 4Å; C39-C42 WeakPolarHBondContact O-CB 3.39Å; C39-C42 PolarHBondContact O-N 2.79Å; C39-I43 PolarHBondContact O-N 3.09Å; C39-I43 VanDerWaalsContact O-N 3.08Å
40N95.4Very high93.2Very high61 Ų6155.2 Ų55.233%0.32629%0.291SS..Hα-helixtrans-53.1-46.7-179.4-179.232.1000112.3E26 E27 V29 C42 I43 T44E26-N40 PolarHBondContact O-N 3.19Å; E27-N40 HydrophobicContact CB-CB 4.11Å; E27-N40 WeakPolarHBondContact O-CB 3.36Å; E27-N40 PolarHBondContact O-N 3.06Å; E27-N40 VanDerWaalsContact O-N 3.14Å; V29-N40 HydrophobicContact CG1-CB 4.19Å; V29-N40 HydrophobicContact CG2-CB 4.47Å; N40-C42 VanDerWaalsContact C-N 3.34Å; N40-C42 PolarHBondContact O-N 2.88Å; N40-I43 WeakPolarHBondContact O-CG2 3.31Å; N40-T44 WeakPolarHBondContact O-CB 3.26Å; N40-T44 PolarHBondContact O-N 2.79Å; N40-T44 PolarHBondContact O-OG1 3.25Å; N40-T44 PolarHBondContact OD1-OG1 3.29Å
41A95.7Very high92.9Very high45 Ų4559.5 Ų59.537%0.37231%0.311SS..Hα-helixtrans-62.3-39.917800000112.6M1 C39 Q45M1-A41 HydrophobicContact CE-CB 3.98Å; M1-A41 HydrophobicContact CG-CB 4Å; M1-A41 HydrophobicContact SD-CB 3.47Å; M1-A41 WeakPolarHBondContact SD-CB 3.31Å; C39-A41 VanDerWaalsContact C-N 3.29Å; C39-A41 PolarHBondContact O-N 3.1Å; A41-Q45 WeakPolarHBondContact O-CB 3.46Å; A41-Q45 PolarHBondContact O-N 2.81Å
42C96.3Very high92.9Very high5 Ų561.7 Ų61.73%0.03432%0.322CS..Hα-helixtrans-65.9-50-178.1-69.50000111.7M1 I20 C39 N40 T44 Q45 W46M1-C42 WeakPolarHBondContact CB-SG 3.36Å; M1-C42 VanDerWaalsContact SD-CA 3.57Å; M1-C42 HydrophobicContact SD-CB 4.17Å; M1-C42 PolarHBondContact SD-N 2.81Å; M1-C42 PolarHBondContact SD-SG 3.11Å; I20-C42 HydrophobicContact CB-CB 3.93Å; I20-C42 HydrophobicContact CD1-CB 3.69Å; I20-C42 HydrophobicContact CG1-CB 4.42Å; I20-C42 HydrophobicContact CG2-CB 3.94Å; C39-C42 HydrophobicContact CB-CB 4Å; C39-C42 WeakPolarHBondContact O-CB 3.39Å; C39-C42 PolarHBondContact O-N 2.79Å; N40-C42 VanDerWaalsContact C-N 3.34Å; N40-C42 PolarHBondContact O-N 2.88Å; C42-T44 VanDerWaalsContact C-N 3.33Å; C42-Q45 PolarHBondContact O-N 3.49Å; C42-W46 PolarHBondContact O-N 3.29Å
43I94.8Very high93.2Very high0 Ų060.1 Ų60.10%031%0.311CS..Hα-helixtrans-71.2-32.6-178.6-166.863000111.8I20 V29 F38 C39 N40 W46 F47 P54 L65I20-I43 HydrophobicContact CD1-CB 4.38Å; I20-I43 HydrophobicContact CD1-CD1 4.24Å; V29-I43 HydrophobicContact CG2-CG2 3.5Å; V29-I43 VanDerWaalsContact CG2-CG2 3.5Å; F38-I43 HydrophobicContact CB-CB 3.78Å; F38-I43 HydrophobicContact CB-CG1 4.47Å; F38-I43 HydrophobicContact CB-CG2 4.22Å; F38-I43 HydrophobicContact CD2-CB 4.33Å; F38-I43 HydrophobicContact CD2-CD1 3.92Å; F38-I43 HydrophobicContact CD2-CG1 4.09Å; F38-I43 HydrophobicContact CE2-CD1 4.16Å; F38-I43 HydrophobicContact CG-CB 4.13Å; F38-I43 HydrophobicContact CG-CD1 4.11Å; F38-I43 HydrophobicContact CG-CG1 4.33Å; C39-I43 PolarHBondContact O-N 3.09Å; C39-I43 VanDerWaalsContact O-N 3.08Å; N40-I43 WeakPolarHBondContact O-CG2 3.31Å; I43-W46 PolarHBondContact O-N 3.22Å; I43-F47 HydrophobicContact CD1-CD1 4.15Å; I43-F47 HydrophobicContact CD1-CE1 3.64Å; I43-F47 HydrophobicContact CD1-CE2 4.23Å; I43-F47 HydrophobicContact CD1-CZ 3.69Å; I43-F47 HydrophobicContact CG1-CD1 4.41Å; I43-F47 HydrophobicContact CG1-CD2 4.09Å; I43-F47 HydrophobicContact CG1-CE1 4.05Å; I43-F47 HydrophobicContact CG1-CE2 3.72Å; I43-F47 HydrophobicContact CG1-CG 4.45Å; I43-F47 HydrophobicContact CG1-CZ 3.69Å; I43-F47 WeakPolarHBondContact O-CB 3.44Å; I43-F47 WeakPolarHBondContact O-CG 3.32Å; I43-F47 PolarHBondContact O-N 2.81Å; I43-P54 HydrophobicContact CD1-CG 3.85Å; I43-L65 HydrophobicContact CG1-CD1 4.23Å; I43-L65 HydrophobicContact CG1-CD2 4.45Å; I43-L65 HydrophobicContact CG2-CD1 3.67Å
44T93.8Very high93.5Very high55 Ų5555.1 Ų55.134%0.33729%0.292SS..Hα-helixtrans-63-44.8174.3-62.10000111.3N40 C42 W46 F47 A48 L62N40-T44 WeakPolarHBondContact O-CB 3.26Å; N40-T44 PolarHBondContact O-N 2.79Å; N40-T44 PolarHBondContact O-OG1 3.25Å; N40-T44 PolarHBondContact OD1-OG1 3.29Å; C42-T44 VanDerWaalsContact C-N 3.33Å; T44-W46 VanDerWaalsContact C-N 3.34Å; T44-W46 PolarHBondContact O-N 2.93Å; T44-F47 PolarHBondContact O-N 3.48Å; T44-A48 PolarHBondContact O-N 2.84Å; T44-L62 HydrophobicContact CG2-CD2 4.22Å
45Q94.4Very high93.6Very high116 Ų11657.4 Ų57.454%0.54231%0.305SS..Hα-helixtrans-64.1-39.7175.7-175.4178.7-8.900111.8M1 A41 C42 A48M1-Q45 HydrophobicContact CE-CB 4.34Å; A41-Q45 WeakPolarHBondContact O-CB 3.46Å; A41-Q45 PolarHBondContact O-N 2.81Å; C42-Q45 PolarHBondContact O-N 3.49Å; Q45-A48 WeakPolarHBondContact O-CB 3.47Å; Q45-A48 PolarHBondContact O-N 3.45Å
46W93.7Very high93.7Very high86 Ų8653.7 Ų53.733%0.32629%0.29SS..Hα-helixtrans-63.3-45.3176.7177.6-98.5000112.4C42 I43 T44 A48 Q49 Q50 I52 P54C42-W46 PolarHBondContact O-N 3.29Å; I43-W46 PolarHBondContact O-N 3.22Å; T44-W46 VanDerWaalsContact C-N 3.34Å; T44-W46 PolarHBondContact O-N 2.93Å; W46-A48 PolarHBondContact O-N 2.95Å; W46-Q49 PolarHBondContact O-N 2.84Å; W46-Q50 HydrophobicContact CZ2-CB 4.29Å; W46-Q50 PolarHBondContact O-N 2.9Å; W46-I52 PolarHBondContact NE1-O 2.89Å; W46-P54 HydrophobicContact CD2-CG 4.08Å; W46-P54 HydrophobicContact CG-CG 3.94Å
47F93Very high93.5Very high12 Ų1260.5 Ų60.55%0.05331%0.313CS..Hα-helixtrans-66.9-17.1179.4-73-11.4000114.3I43 T44 Q49 Q50 I52 V60 L62 L65I43-F47 HydrophobicContact CD1-CD1 4.15Å; I43-F47 HydrophobicContact CD1-CE1 3.64Å; I43-F47 HydrophobicContact CD1-CE2 4.23Å; I43-F47 HydrophobicContact CD1-CZ 3.69Å; I43-F47 HydrophobicContact CG1-CD1 4.41Å; I43-F47 HydrophobicContact CG1-CD2 4.09Å; I43-F47 HydrophobicContact CG1-CE1 4.05Å; I43-F47 HydrophobicContact CG1-CE2 3.72Å; I43-F47 HydrophobicContact CG1-CG 4.45Å; I43-F47 HydrophobicContact CG1-CZ 3.69Å; I43-F47 WeakPolarHBondContact O-CB 3.44Å; I43-F47 WeakPolarHBondContact O-CG 3.32Å; I43-F47 PolarHBondContact O-N 2.81Å; T44-F47 PolarHBondContact O-N 3.48Å; F47-Q49 PolarHBondContact O-N 3.47Å; F47-Q50 WeakPolarHBondContact CA-O 3.21Å; F47-Q50 VanDerWaalsContact CD1-O 3.26Å; F47-Q50 WeakPolarHBondContact CD1-O 3.49Å; F47-I52 WeakPolarHBondContact CE1-O 3.48Å; F47-V60 HydrophobicContact CE2-CG1 4.13Å; F47-V60 HydrophobicContact CZ-CB 3.88Å; F47-V60 HydrophobicContact CZ-CG1 3.73Å; F47-L62 HydrophobicContact CB-CD1 4.5Å; F47-L62 HydrophobicContact CB-CD2 4.37Å; F47-L62 HydrophobicContact CB-CG 4.02Å; F47-L62 HydrophobicContact CD2-CB 4.32Å; F47-L62 HydrophobicContact CD2-CD2 3.7Å; F47-L62 HydrophobicContact CD2-CG 3.67Å; F47-L62 HydrophobicContact CG-CG 4.35Å; F47-L65 HydrophobicContact CD2-CD1 4.32Å; F47-L65 HydrophobicContact CE2-CD1 3.87Å; F47-L65 HydrophobicContact CE2-CD2 4.09Å; F47-L65 HydrophobicContact CE2-CG 4.05Å
48A90.8Very high93.3Very high89 Ų8962.4 Ų62.474%0.73632%0.324SS*.THydrogen-bonded Turntrans-64.8-21.9168.400000112.7T44 Q45 W46T44-A48 PolarHBondContact O-N 2.84Å; Q45-A48 WeakPolarHBondContact O-CB 3.47Å; Q45-A48 PolarHBondContact O-N 3.45Å; W46-A48 PolarHBondContact O-N 2.95Å
49Q90Very high92.9Very high138 Ų13867.7 Ų67.765%0.64536%0.356SS*.THydrogen-bonded Turntrans-108.3-42.5179.8-5918014.300112.3W46 F47W46-Q49 PolarHBondContact O-N 2.84Å; F47-Q49 PolarHBondContact O-N 3.47Å
50Q88.8Confident92.4Very high105 Ų10567.8 Ų67.849%0.49136%0.356SS..  trans-144.5120-170.2-65.9-63.5-2500110.7W46 F47 I52W46-Q50 HydrophobicContact CZ2-CB 4.29Å; W46-Q50 PolarHBondContact O-N 2.9Å; F47-Q50 WeakPolarHBondContact CA-O 3.21Å; F47-Q50 VanDerWaalsContact CD1-O 3.26Å; F47-Q50 WeakPolarHBondContact CD1-O 3.49Å; Q50-I52 HydrophobicContact CB-CG1 3.97Å; Q50-I52 PolarHBondContact O-N 2.59Å
51Q89.6Confident91.9Very high119 Ų11966.5 Ų66.556%0.55635%0.35SS*.SBendtrans-87.452.9178.8-64-171-6.600112.6V60Q51-V60 CarbonylContact C-O 3.52Å; Q51-V60 PolarHBondContact O-N 2.94Å; Q51-V60 VanDerWaalsContact O-O 3.07Å
52I92.4Very high91.5Very high48 Ų4868.6 Ų68.625%0.24636%0.355CS..BIsolated β-bridgetrans-136.3148.4177.451.7163.7000109.8W46 F47 Q50 R57 T58 V59W46-I52 PolarHBondContact NE1-O 2.89Å; F47-I52 WeakPolarHBondContact CE1-O 3.48Å; Q50-I52 HydrophobicContact CB-CG1 3.97Å; Q50-I52 PolarHBondContact O-N 2.59Å; I52-R57 HydrophobicContact CD1-CB 4.34Å; I52-R57 HydrophobicContact CD1-CG 4.45Å; I52-T58 CarbonylContact C-O 3.21Å; I52-T58 WeakPolarHBondContact CA-O 3.4Å; I52-V59 HydrophobicContact CG2-CG2 4.35Å
53C93.3Very high91Very high1 Ų172.7 Ų72.71%0.00739%0.39CS..  trans-61.1130.2174.5177.10000110.8C34 V55 D56 R57 T58 V60C34-C53 VanDerWaalsContact SG-SG 3.7Å; C53-V55 PolarHBondContact O-N 2.95Å; C53-D56 WeakPolarHBondContact CB-OD1 3.42Å; C53-D56 PolarHBondContact SG-OD1 2.88Å; C53-R57 WeakPolarHBondContact O-CA 3.43Å; C53-R57 PolarHBondContact O-N 3.34Å; C53-T58 PolarHBondContact N-O 2.79Å; C53-V60 HydrophobicContact CB-CG2 4.35Å
54P93.3Very high90.6Very high41 Ų4177.7 Ų77.727%0.26641%0.412SS..THydrogen-bonded Turntrans-60.4-24.2178.9-23.830.2000115.2I20 F38 I43 W46I20-P54 HydrophobicContact CD1-CG 3.91Å; I20-P54 HydrophobicContact CG1-CB 4.31Å; I20-P54 HydrophobicContact CG1-CG 4.03Å; F38-P54 HydrophobicContact CE1-CB 4.23Å; F38-P54 HydrophobicContact CE1-CG 3.9Å; F38-P54 HydrophobicContact CZ-CG 4.17Å; I43-P54 HydrophobicContact CD1-CG 3.85Å; W46-P54 HydrophobicContact CD2-CG 4.08Å; W46-P54 HydrophobicContact CG-CG 3.94Å
55V93.5Very high90.6Very high71 Ų7176.5 Ų76.543%0.4340%0.404SS..THydrogen-bonded Turntrans-90.5-51.3-172-175.60000111.8P19 H36 F38 C53P19-V55 HydrophobicContact CB-CG2 3.94Å; P19-V55 HydrophobicContact CG-CG2 3.94Å; H36-V55 HydrophobicContact CB-CG2 4.32Å; H36-V55 VanDerWaalsContact NE2-CG1 3.32Å; H36-V55 WeakPolarHBondContact NE2-CG1 3.44Å; F38-V55 HydrophobicContact CE1-CG2 3.92Å; F38-V55 HydrophobicContact CZ-CG2 3.9Å; C53-V55 PolarHBondContact O-N 2.95Å
56D93.8Very high90.5Very high63 Ų6378.9 Ų78.934%0.33741%0.408SS..THydrogen-bonded Turntrans-118.10.1-171.370-17.2000113.6C34 H36 C53 T58C34-D56 WeakPolarHBondContact CB-OD2 3.3Å; H36-D56 IonicContact CE1-OD2 3.73Å; C53-D56 WeakPolarHBondContact CB-OD1 3.42Å; C53-D56 PolarHBondContact SG-OD1 2.88Å; D56-T58 PolarHBondContact O-N 3.16Å; D56-T58 WeakPolarHBondContact OD1-CB 3.43Å; D56-T58 PolarHBondContact OD1-N 3.08Å; D56-T58 PolarHBondContact OD1-OG1 3.33Å; D56-T58 PolarHBondContact OD2-OG1 3.23Å
57R91.3Very high90.6Very high201 Ų20179.2 Ų79.276%0.75842%0.421SS*.  trans62.215.7179.9-51.2178.2-178.2179.9-0.3114.5I52 C53I52-R57 HydrophobicContact CD1-CB 4.34Å; I52-R57 HydrophobicContact CD1-CG 4.45Å; C53-R57 WeakPolarHBondContact O-CA 3.43Å; C53-R57 PolarHBondContact O-N 3.34Å
58T90.9Very high90.7Very high53 Ų5378.8 Ų78.833%0.32542%0.42SS..  trans-62.5137.7173.2-61.50000109.8I52 C53 D56 V60I52-T58 CarbonylContact C-O 3.21Å; I52-T58 WeakPolarHBondContact CA-O 3.4Å; C53-T58 PolarHBondContact N-O 2.79Å; D56-T58 PolarHBondContact O-N 3.16Å; D56-T58 WeakPolarHBondContact OD1-CB 3.43Å; D56-T58 PolarHBondContact OD1-N 3.08Å; D56-T58 PolarHBondContact OD1-OG1 3.33Å; D56-T58 PolarHBondContact OD2-OG1 3.23Å; T58-V60 HydrophobicContact CG2-CG2 4.45Å; T58-V60 PolarHBondContact O-N 3.25Å
59V88.4Confident90.8Very high112 Ų11277.2 Ų77.268%0.67940%0.402SS*.BIsolated β-bridgetrans-64.8119177.8178.20000109.7I52I52-V59 HydrophobicContact CG2-CG2 4.35Å
60V88.1Confident91Very high3 Ų379.7 Ų79.72%0.01841%0.406CS..  trans-143.4139.5-179.4-178.80000108.2A31 F47 Q51 C53 T58 L65A31-V60 HydrophobicContact CB-CG1 4.17Å; A31-V60 HydrophobicContact CB-CG2 4.16Å; F47-V60 HydrophobicContact CE2-CG1 4.13Å; F47-V60 HydrophobicContact CZ-CB 3.88Å; F47-V60 HydrophobicContact CZ-CG1 3.73Å; Q51-V60 CarbonylContact C-O 3.52Å; Q51-V60 PolarHBondContact O-N 2.94Å; Q51-V60 VanDerWaalsContact O-O 3.07Å; C53-V60 HydrophobicContact CB-CG2 4.35Å; T58-V60 HydrophobicContact CG2-CG2 4.45Å; T58-V60 PolarHBondContact O-N 3.25Å; V60-L65 HydrophobicContact CG1-CD2 4.22Å
61T84.9Confident91.3Very high33 Ų3380.5 Ų80.520%0.20241%0.412CS..  trans-116.2159.4177.9670000110.4A63 H64T61-A63 PolarHBondContact O-N 2.93Å; T61-H64 PolarHBondContact O-N 3.02Å; T61-H64 PolarHBondContact OG1-CE1 3.04Å; T61-H64 PolarHBondContact OG1-ND1 2.65Å
62L86.1Confident91.5Very high89 Ų8976.3 Ų76.347%0.46639%0.393SS..G310 helixtrans-50.9-40.8177.1-83.2171000112.6T44 F47 H64 L65T44-L62 HydrophobicContact CG2-CD2 4.22Å; F47-L62 HydrophobicContact CB-CD1 4.5Å; F47-L62 HydrophobicContact CB-CD2 4.37Å; F47-L62 HydrophobicContact CB-CG 4.02Å; F47-L62 HydrophobicContact CD2-CB 4.32Å; F47-L62 HydrophobicContact CD2-CD2 3.7Å; F47-L62 HydrophobicContact CD2-CG 3.67Å; F47-L62 HydrophobicContact CG-CG 4.35Å; L62-H64 PolarHBondContact O-N 3.38Å; L62-L65 HydrophobicContact CD2-CD1 4Å; L62-L65 PolarHBondContact O-N 3.34Å
63A86.9Confident91.6Very high92 Ų9279.7 Ų79.776%0.7640%0.402SS*.G310 helixtrans-66.7-20.6-177.200000113.9T61T61-A63 PolarHBondContact O-N 2.93Å
64H86.3Confident91.7Very high104 Ų10483 Ų8348%0.48142%0.42SS..G310 helixtrans-93.4-8.8-179-62.7142.4000113.3P32 T61 L62P32-H64 WeakPolarHBondContact CD-O 3.48Å; P32-H64 HydrophobicContact CG-CB 4.25Å; P32-H64 VanDerWaalsContact CG-O 3.27Å; P32-H64 WeakPolarHBondContact CG-O 3.45Å; T61-H64 PolarHBondContact O-N 3.02Å; T61-H64 PolarHBondContact OG1-CE1 3.04Å; T61-H64 PolarHBondContact OG1-ND1 2.65Å; L62-H64 PolarHBondContact O-N 3.38Å
65L92.1Very high91.7Very high30 Ų3084.7 Ų84.716%0.15743%0.425CS..  trans-63.5138.4177.4-66.5175.7000110.8V29 I43 F47 V60 L62V29-L65 HydrophobicContact CB-CB 4.42Å; V29-L65 HydrophobicContact CG2-CD1 4.1Å; I43-L65 HydrophobicContact CG1-CD1 4.23Å; I43-L65 HydrophobicContact CG1-CD2 4.45Å; I43-L65 HydrophobicContact CG2-CD1 3.67Å; F47-L65 HydrophobicContact CD2-CD1 4.32Å; F47-L65 HydrophobicContact CE2-CD1 3.87Å; F47-L65 HydrophobicContact CE2-CD2 4.09Å; F47-L65 HydrophobicContact CE2-CG 4.05Å; V60-L65 HydrophobicContact CG1-CD2 4.22Å; L62-L65 HydrophobicContact CD2-CD1 4Å; L62-L65 PolarHBondContact O-N 3.34Å
66R94.1Very high91.8Very high166 Ų16681.7 Ų81.763%0.62641%0.407SS*.EExtended strand (participates in β ladder)trans-118.6154.7177.3-65.8-173.3177.2-177.2-0.4110.4V29 Q30V29-R66 CarbonylContact C-O 3.52Å; V29-R66 WeakPolarHBondContact CA-O 3.47Å; Q30-R66 PolarHBondContact N-O 2.81Å; Q30-R66 PolarHBondContact O-N 3.19Å
67P94Very high91.8Very high93 Ų9380 Ų8060%0.60440%0.399SS*.EExtended strand (participates in β ladder)trans-57.6143166.9-20.932.7000110.2
68V95.2Very high91.9Very high3 Ų377.5 Ų77.52%0.01839%0.394CS..PPolyproline II helixtrans-58.8153.4175-69.70000112.3P28 Q30 A37 M72 R73P28-V68 HydrophobicContact CB-CB 4.31Å; P28-V68 HydrophobicContact CB-CG1 3.68Å; P28-V68 HydrophobicContact CB-CG2 3.67Å; P28-V68 HydrophobicContact CG-CG1 4.46Å; P28-V68 HydrophobicContact CG-CG2 3.48Å; P28-V68 VanDerWaalsContact CG-CG2 3.48Å; Q30-V68 HydrophobicContact CB-CG1 4.01Å; A37-V68 HydrophobicContact CB-CG1 3.88Å; V68-M72 HydrophobicContact CB-CB 4.42Å; V68-M72 HydrophobicContact CB-CG 4.44Å; V68-M72 HydrophobicContact CB-SD 3.79Å; V68-M72 HydrophobicContact CG1-SD 3.62Å; V68-M72 HydrophobicContact CG2-CB 4.48Å; V68-M72 HydrophobicContact CG2-CG 4.43Å; V68-M72 HydrophobicContact CG2-SD 4.28Å; V68-R73 PolarHBondContact O-NH2 3.46Å
69P94.5Very high92.2Very high57 Ų5776.5 Ų76.537%0.3739%0.387SS..PPolyproline II helixtrans-53.5149176.8-27.736.2000112.7I71 M72 R73P69-I71 HydrophobicContact CB-CG2 4.21Å; P69-I71 PolarHBondContact O-N 3.13Å; P69-I71 VanDerWaalsContact O-N 3.12Å; P69-M72 PolarHBondContact O-N 3.22Å; P69-M72 VanDerWaalsContact O-N 3.13Å; P69-R73 PolarHBondContact O-N 3.48Å; P69-R73 VanDerWaalsContact O-N 3.14Å
70R94.1Very high92.6Very high190 Ų19075.7 Ų75.772%0.71738%0.376SS*.Hα-helixtrans-56.4-34-177.2-174178.4178.4-174.8-0.5112.6R73 N74R70-R73 PolarHBondContact O-N 2.96Å; R70-N74 WeakPolarHBondContact O-CB 3.18Å; R70-N74 PolarHBondContact O-N 2.83Å; R70-N74 PolarHBondContact O-ND2 2.9Å; R70-N74 PolarHBondContact O-OD1 2.85Å
71I94.5Very high92.9Very high122 Ų12275.6 Ų75.663%0.62638%0.375SS*.Hα-helixtrans-61.8-47.9178.9-167.3164.6000111.8P69 R73 N74 M75P69-I71 HydrophobicContact CB-CG2 4.21Å; P69-I71 PolarHBondContact O-N 3.13Å; P69-I71 VanDerWaalsContact O-N 3.12Å; I71-R73 PolarHBondContact O-N 3.26Å; I71-N74 WeakPolarHBondContact O-CB 3.41Å; I71-N74 PolarHBondContact O-N 2.83Å; I71-M75 HydrophobicContact CG1-SD 4.45Å; I71-M75 WeakPolarHBondContact O-CG 3.42Å; I71-M75 PolarHBondContact O-N 2.86Å
72M94.5Very high93.5Very high31 Ų3176.7 Ų76.715%0.15338%0.38CS..Hα-helixtrans-64-42.9176.8-176.9179.9-85.500111.2L16 L25 A37 V68 P69 N74 M75 L76L16-M72 HydrophobicContact CD2-CG 3.74Å; L25-M72 HydrophobicContact CD1-SD 4.17Å; A37-M72 HydrophobicContact CB-CE 4.28Å; A37-M72 HydrophobicContact CB-SD 3.97Å; V68-M72 HydrophobicContact CB-CB 4.42Å; V68-M72 HydrophobicContact CB-CG 4.44Å; V68-M72 HydrophobicContact CB-SD 3.79Å; V68-M72 HydrophobicContact CG1-SD 3.62Å; V68-M72 HydrophobicContact CG2-CB 4.48Å; V68-M72 HydrophobicContact CG2-CG 4.43Å; V68-M72 HydrophobicContact CG2-SD 4.28Å; P69-M72 PolarHBondContact O-N 3.22Å; P69-M72 VanDerWaalsContact O-N 3.13Å; M72-N74 VanDerWaalsContact C-N 3.3Å; M72-N74 PolarHBondContact O-N 2.79Å; M72-M75 PolarHBondContact O-N 2.84Å; M72-M75 VanDerWaalsContact O-N 3.16Å; M72-L76 HydrophobicContact CG-CD1 4.31Å; M72-L76 WeakPolarHBondContact O-CG 3.32Å; M72-L76 PolarHBondContact O-N 2.84Å
73R94.4Very high93.8Very high118 Ų11872.6 Ų72.645%0.44536%0.359SS..Hα-helixtrans-58.8-42.2173.9-168.7-177.2-5514810.4112.1V68 P69 R70 I71 S77V68-R73 PolarHBondContact O-NH2 3.46Å; P69-R73 PolarHBondContact O-N 3.48Å; P69-R73 VanDerWaalsContact O-N 3.14Å; R70-R73 PolarHBondContact O-N 2.96Å; I71-R73 PolarHBondContact O-N 3.26Å; R73-S77 WeakPolarHBondContact O-CB 3.22Å; R73-S77 PolarHBondContact O-N 2.94Å; R73-S77 PolarHBondContact O-OG 2.86Å
74N94.3Very high94Very high70 Ų7071.8 Ų71.837%0.37434%0.341SS..Hα-helixtrans-67.3-36.7177.6-69.6-15.8000111.8R70 I71 M72 K78R70-N74 WeakPolarHBondContact O-CB 3.18Å; R70-N74 PolarHBondContact O-N 2.83Å; R70-N74 PolarHBondContact O-ND2 2.9Å; R70-N74 PolarHBondContact O-OD1 2.85Å; I71-N74 WeakPolarHBondContact O-CB 3.41Å; I71-N74 PolarHBondContact O-N 2.83Å; M72-N74 VanDerWaalsContact C-N 3.3Å; M72-N74 PolarHBondContact O-N 2.79Å; N74-K78 VanDerWaalsContact O-CG 3.3Å; N74-K78 WeakPolarHBondContact O-CG 3.34Å; N74-K78 PolarHBondContact O-N 2.91Å
75M94.6Very high94.3Very high78 Ų7867.5 Ų67.538%0.38432%0.322SS..Hα-helixtrans-63.6-51.4174.7-70.2172.372.400110.5L16 I71 M72 S77 K78 L79L16-M75 HydrophobicContact CD1-CB 4.13Å; L16-M75 HydrophobicContact CD2-CB 4.3Å; I71-M75 HydrophobicContact CG1-SD 4.45Å; I71-M75 WeakPolarHBondContact O-CG 3.42Å; I71-M75 PolarHBondContact O-N 2.86Å; M72-M75 PolarHBondContact O-N 2.84Å; M72-M75 VanDerWaalsContact O-N 3.16Å; M75-S77 VanDerWaalsContact C-N 3.32Å; M75-S77 PolarHBondContact O-N 2.88Å; M75-K78 PolarHBondContact O-N 3.34Å; M75-L79 PolarHBondContact O-N 3.38Å
76L94.8Very high94.2Very high8 Ų868.4 Ų68.44%0.04233%0.334CS..Hα-helixtrans-54.7-46.6174.1-71.9166.7000112L16 V24 L25 P28 M72 K78 L79 L96L16-L76 HydrophobicContact CB-CD2 3.94Å; L16-L76 HydrophobicContact CD1-CD2 4.24Å; L16-L76 HydrophobicContact CD2-CD2 4.15Å; L16-L76 HydrophobicContact CD2-CG 4.05Å; L16-L76 HydrophobicContact CG-CD2 4.33Å; V24-L76 HydrophobicContact CG1-CD2 3.67Å; L25-L76 HydrophobicContact CB-CD1 4.21Å; L25-L76 HydrophobicContact CB-CD2 4.25Å; P28-L76 HydrophobicContact CB-CD1 4.31Å; P28-L76 HydrophobicContact CG-CD1 3.67Å; M72-L76 HydrophobicContact CG-CD1 4.31Å; M72-L76 WeakPolarHBondContact O-CG 3.32Å; M72-L76 PolarHBondContact O-N 2.84Å; L76-K78 PolarHBondContact O-N 3.17Å; L76-K78 VanDerWaalsContact O-N 3.14Å; L76-L79 HydrophobicContact CD2-CD1 4.13Å; L76-L79 WeakPolarHBondContact O-CB 3.47Å; L76-L79 PolarHBondContact O-N 3.27Å; L76-L79 VanDerWaalsContact O-N 3.16Å; L76-L96 HydrophobicContact CB-CD2 4.41Å; L76-L96 WeakPolarHBondContact O-CB 3.28Å; L76-L96 WeakPolarHBondContact O-CD2 3.37Å
77S94.1Very high93.9Very high26 Ų2665.3 Ų65.318%0.18234%0.337CS..Hα-helixtrans-63.6-20.5-179.5-54.80000113.4R73 M75 R95R73-S77 WeakPolarHBondContact O-CB 3.22Å; R73-S77 PolarHBondContact O-N 2.94Å; R73-S77 PolarHBondContact O-OG 2.86Å; M75-S77 VanDerWaalsContact C-N 3.32Å; M75-S77 PolarHBondContact O-N 2.88Å; S77-R95 PolarHBondContact O-NE 3.44Å; S77-R95 PolarHBondContact O-NH2 3.44Å
78K93.8Very high93.6Very high150 Ų15066.6 Ų66.665%0.65233%0.334SS*.Hα-helixtrans-90.6-18.1179.6-74.5174.1-177.2-176.80113N74 M75 L76 Q80N74-K78 VanDerWaalsContact O-CG 3.3Å; N74-K78 WeakPolarHBondContact O-CG 3.34Å; N74-K78 PolarHBondContact O-N 2.91Å; M75-K78 PolarHBondContact O-N 3.34Å; L76-K78 PolarHBondContact O-N 3.17Å; L76-K78 VanDerWaalsContact O-N 3.14Å; K78-Q80 PolarHBondContact O-N 3.06Å
79L95.8Very high93.2Very high31 Ų3168.3 Ų68.316%0.16235%0.352CS..  trans-56.7136.5177.6-64.7179.2000109.9F8 V12 L16 V24 M75 L76 R95 L96F8-L79 HydrophobicContact CD1-CB 3.72Å; F8-L79 HydrophobicContact CD1-CD1 4.16Å; F8-L79 HydrophobicContact CD1-CG 4.48Å; F8-L79 HydrophobicContact CE1-CB 3.66Å; F8-L79 HydrophobicContact CE1-CD1 3.86Å; F8-L79 HydrophobicContact CE1-CG 4.41Å; V12-L79 HydrophobicContact CG1-CD1 4.07Å; L16-L79 HydrophobicContact CD1-CD1 4Å; L16-L79 HydrophobicContact CD1-CD2 4.34Å; L16-L79 HydrophobicContact CD1-CG 4.4Å; V24-L79 HydrophobicContact CG1-CD1 3.77Å; M75-L79 PolarHBondContact O-N 3.38Å; L76-L79 HydrophobicContact CD2-CD1 4.13Å; L76-L79 WeakPolarHBondContact O-CB 3.47Å; L76-L79 PolarHBondContact O-N 3.27Å; L76-L79 VanDerWaalsContact O-N 3.16Å; L79-R95 CarbonylContact O-C 3.53Å; L79-R95 WeakPolarHBondContact O-CA 3.39Å; L79-L96 PolarHBondContact O-N 3.43Å
80Q96.7Very high93.2Very high96 Ų9666 Ų6645%0.44934%0.337SS..EExtended strand (participates in β ladder)trans-95.3127.2176.3-72.3-172.1-24.900109.1F8 Q9 K78 T93 L94F8-Q80 CarbonylContact C-O 3.5Å; F8-Q80 VanDerWaalsContact CA-O 3.3Å; F8-Q80 WeakPolarHBondContact CA-O 3.42Å; F8-Q80 WeakPolarHBondContact CD1-O 3.37Å; Q9-Q80 HydrophobicContact CB-CB 4.17Å; Q9-Q80 HydrophobicContact CG-CB 4.46Å; Q9-Q80 PolarHBondContact N-O 3.22Å; K78-Q80 PolarHBondContact O-N 3.06Å; Q80-T93 HydrophobicContact CB-CG2 3.93Å; Q80-L94 CarbonylContact C-O 3.56Å; Q80-L94 WeakPolarHBondContact CA-O 3.18Å
81I96.3Very high93.1Very high0 Ų063.4 Ų63.40%034%0.343CS..EExtended strand (participates in β ladder)trans-128.7144.9-176-164.8179.9000110.3Y3 R7 F8 L94 L96 L99Y3-I81 HydrophobicContact CD1-CD1 4.26Å; Y3-I81 HydrophobicContact CG-CD1 4.42Å; R7-I81 HydrophobicContact CB-CD1 4.17Å; R7-I81 HydrophobicContact CB-CG1 3.75Å; R7-I81 WeakPolarHBondContact O-CA 3.38Å; F8-I81 HydrophobicContact CD1-CB 3.89Å; F8-I81 HydrophobicContact CD1-CG1 4.15Å; F8-I81 HydrophobicContact CD2-CD1 4.34Å; F8-I81 HydrophobicContact CD2-CG1 4.27Å; F8-I81 HydrophobicContact CE1-CB 3.8Å; F8-I81 HydrophobicContact CE1-CD1 4.02Å; F8-I81 HydrophobicContact CE1-CG1 4.04Å; F8-I81 HydrophobicContact CE2-CD1 3.73Å; F8-I81 HydrophobicContact CE2-CG1 4.13Å; F8-I81 HydrophobicContact CG-CB 4.47Å; F8-I81 HydrophobicContact CG-CG1 4.3Å; F8-I81 HydrophobicContact CZ-CB 4.28Å; F8-I81 HydrophobicContact CZ-CD1 3.57Å; F8-I81 HydrophobicContact CZ-CG1 4.04Å; I81-L94 PolarHBondContact N-O 2.86Å; I81-L94 WeakPolarHBondContact O-CD2 3.42Å; I81-L94 PolarHBondContact O-N 3.21Å; I81-L96 HydrophobicContact CB-CD1 4.49Å; I81-L96 HydrophobicContact CD1-CD1 4.02Å; I81-L96 HydrophobicContact CG2-CD1 4Å; I81-L99 HydrophobicContact CD1-CD2 3.97Å; I81-L99 HydrophobicContact CG2-CB 4.3Å; I81-L99 HydrophobicContact CG2-CD1 4.18Å; I81-L99 HydrophobicContact CG2-CD2 4.09Å; I81-L99 HydrophobicContact CG2-CG 4.42Å
82N95.9Very high93.1Very high57 Ų5759 Ų5931%0.30533%0.325SS..EExtended strand (participates in β ladder)trans-82141.2170.5-64.9-19000110.8R7 T93R7-N82 PolarHBondContact NE-O 3.26Å; R7-N82 VanDerWaalsContact NE-O 3.11Å; R7-N82 PolarHBondContact NH2-O 2.97Å; R7-N82 PolarHBondContact O-N 3.35Å; N82-T93 PolarHBondContact OD1-OG1 3.33Å
83C94.1Very high93.1Very high3 Ų360.2 Ų60.22%0.0233%0.334CS..  trans-55.5145.2177.7-179.10000112.5N85 A86 C90 A92 H102C83-N85 PolarHBondContact O-N 3.22Å; C83-N85 VanDerWaalsContact O-N 3.16Å; C83-N85 PolarHBondContact SG-N 3.46Å; C83-A86 WeakPolarHBondContact O-CB 3.42Å; C83-A86 PolarHBondContact O-N 3.43Å; C83-A86 VanDerWaalsContact O-N 3.09Å; C83-C90 HydrophobicContact CB-CB 3.99Å; C83-C90 VanDerWaalsContact CB-SG 3.54Å; C83-A92 PolarHBondContact N-O 2.93Å; C83-H102 PolarHBondContact SG-CD2 3.24Å; C83-H102 PolarHBondContact SG-NE2 3.41Å
84D90.8Very high93.1Very high75 Ų7555.5 Ų55.540%0.40132%0.317SS..G310 helixtrans-56-30.2173.7-68.8-77.6000112.3R7 A86 L103R7-D84 VanDerWaalsContact CZ-CG 3.41Å; R7-D84 IonicContact CZ-OD1 2.8Å; R7-D84 IonicContact CZ-OD2 2.89Å; R7-D84 IonicContact NE-OD1 3.98Å; R7-D84 VanDerWaalsContact NH1-CG 3.33Å; R7-D84 IonicContact NH1-OD1 3.51Å; R7-D84 PolarHBondContact NH1-OD1 3.39Å; R7-D84 IonicContact NH1-OD2 3.95Å; R7-D84 PolarHBondContact NH1-OD2 3.3Å; R7-D84 VanDerWaalsContact NH2-N 3.16Å; R7-D84 IonicContact NH2-OD1 3.04Å; R7-D84 PolarHBondContact NH2-OD1 2.95Å; R7-D84 IonicContact NH2-OD2 3.86Å; R7-D84 PolarHBondContact NH2-OD2 3.33Å; D84-A86 PolarHBondContact O-N 2.98Å; D84-L103 HydrophobicContact CB-CD2 4Å; D84-L103 WeakPolarHBondContact OD2-CD1 3.4Å
85N91.8Very high93.2Very high13 Ų1356.5 Ų56.57%0.0732%0.316CS..G310 helixtrans-87.319.8-178.7-56-50.3000113.2C83 S87 F88 G89 C90 H108 N109C83-N85 PolarHBondContact O-N 3.22Å; C83-N85 VanDerWaalsContact O-N 3.16Å; C83-N85 PolarHBondContact SG-N 3.46Å; N85-S87 VanDerWaalsContact C-N 3.26Å; N85-S87 PolarHBondContact O-N 3.5Å; N85-F88 HydrophobicContact CB-CB 4.43Å; N85-F88 HydrophobicContact CB-CD2 4.21Å; N85-F88 CarbonylContact O-C 3.56Å; N85-F88 WeakPolarHBondContact O-CA 3.41Å; N85-F88 PolarHBondContact O-N 3.19Å; N85-G89 PolarHBondContact O-N 2.87Å; N85-C90 HydrophobicContact CB-CB 4.1Å; N85-C90 VanDerWaalsContact O-CB 3.32Å; N85-C90 WeakPolarHBondContact O-CB 3.16Å; N85-C90 PolarHBondContact O-N 3.32Å; N85-H108 HydrophobicContact CB-CB 4.25Å; N85-N109 WeakPolarHBondContact ND2-CB 3.26Å
86A90.4Very high93.2Very high49 Ų4953.5 Ų53.541%0.40530%0.301SS..G310 helixtrans-59.6-37177.200000112.7C83 D84 F88 G89 C90C83-A86 WeakPolarHBondContact O-CB 3.42Å; C83-A86 PolarHBondContact O-N 3.43Å; C83-A86 VanDerWaalsContact O-N 3.09Å; D84-A86 PolarHBondContact O-N 2.98Å; A86-F88 PolarHBondContact O-N 3.1Å; A86-G89 PolarHBondContact O-N 3.48Å; A86-G89 VanDerWaalsContact O-N 3.07Å; A86-C90 VanDerWaalsContact CA-O 3.29Å; A86-C90 WeakPolarHBondContact CA-O 3.09Å
87S88.1Confident93.1Very high101 Ų10156.9 Ų56.971%0.70632%0.319SS*.G310 helixtrans-63.1-24.1172.953.40000113.6N85N85-S87 VanDerWaalsContact C-N 3.26Å; N85-S87 PolarHBondContact O-N 3.5Å
88F86.1Confident93.2Very high120 Ų12060.1 Ų60.153%0.52633%0.332SS..G310 helixtrans-95.58.5176.7-58.4-75.2000112.8N85 A86 H108 P110N85-F88 HydrophobicContact CB-CB 4.43Å; N85-F88 HydrophobicContact CB-CD2 4.21Å; N85-F88 CarbonylContact O-C 3.56Å; N85-F88 WeakPolarHBondContact O-CA 3.41Å; N85-F88 PolarHBondContact O-N 3.19Å; A86-F88 PolarHBondContact O-N 3.1Å; F88-H108 HydrophobicContact CB-CB 4.47Å; F88-H108 WeakPolarHBondContact CB-O 3.26Å; F88-H108 PolarHBondContact O-CD2 3.22Å; F88-P110 HydrophobicContact CD1-CG 4.2Å; F88-P110 HydrophobicContact CD2-CG 4.04Å; F88-P110 HydrophobicContact CE1-CB 4.45Å; F88-P110 HydrophobicContact CE1-CG 4Å; F88-P110 HydrophobicContact CE2-CG 3.84Å; F88-P110 HydrophobicContact CG-CG 4.23Å; F88-P110 HydrophobicContact CZ-CG 3.82Å
89G88.1Confident93.2Very high39 Ų3953 Ų5340%0.40230%0.301SS..THydrogen-bonded Turntrans104.52174.900000115.4N85 A86 T91N85-G89 PolarHBondContact O-N 2.87Å; A86-G89 PolarHBondContact O-N 3.48Å; A86-G89 VanDerWaalsContact O-N 3.07Å; G89-T91 PolarHBondContact O-N 3.1Å
90C93.2Very high92.9Very high9 Ų956.1 Ų56.16%0.06132%0.315CS..  trans-72111.4175.9-1660000111.5C83 N85 A86 A92 H102 H108C83-C90 HydrophobicContact CB-CB 3.99Å; C83-C90 VanDerWaalsContact CB-SG 3.54Å; N85-C90 HydrophobicContact CB-CB 4.1Å; N85-C90 VanDerWaalsContact O-CB 3.32Å; N85-C90 WeakPolarHBondContact O-CB 3.16Å; N85-C90 PolarHBondContact O-N 3.32Å; A86-C90 VanDerWaalsContact CA-O 3.29Å; A86-C90 WeakPolarHBondContact CA-O 3.09Å; C90-A92 VanDerWaalsContact C-N 3.3Å; C90-A92 VanDerWaalsContact SG-CB 3.58Å; C90-H102 PolarHBondContact SG-NE2 3.03Å; C90-H108 HydrophobicContact CB-CB 3.91Å
91T92.9Very high92.8Very high136 Ų13654.8 Ų54.883%0.83432%0.315SS*.  trans-91.81117661.60000113.2G89 T93G89-T91 PolarHBondContact O-N 3.1Å; T91-T93 PolarHBondContact O-N 3.36Å
92A93.6Very high92.6Very high30 Ų3057 Ų5725%0.24833%0.326CS..  trans-71.4120.6-176.400000110.8C83 C90 L94C83-A92 PolarHBondContact N-O 2.93Å; C90-A92 VanDerWaalsContact C-N 3.3Å; C90-A92 VanDerWaalsContact SG-CB 3.58Å; A92-L94 HydrophobicContact CB-CD2 4.03Å; A92-L94 WeakPolarHBondContact O-CD2 3.34Å
93T94.8Very high92.3Very high55 Ų5556 Ų5634%0.33732%0.32SS..EExtended strand (participates in β ladder)trans-104.8125.3161.9-55.70000107.9Q9 Q80 N82 T91Q9-T93 HydrophobicContact CG-CG2 3.82Å; Q9-T93 PolarHBondContact NE2-OG1 2.99Å; Q80-T93 HydrophobicContact CB-CG2 3.93Å; N82-T93 PolarHBondContact OD1-OG1 3.33Å; T91-T93 PolarHBondContact O-N 3.36Å
94L95.1Very high92Very high19 Ų1963.3 Ų63.310%0.09935%0.352CS..EExtended strand (participates in β ladder)trans-141.2163.8-171.954.3166000110.5Q80 I81 A92 Q98 L99 H102Q80-L94 CarbonylContact C-O 3.56Å; Q80-L94 WeakPolarHBondContact CA-O 3.18Å; I81-L94 PolarHBondContact N-O 2.86Å; I81-L94 WeakPolarHBondContact O-CD2 3.42Å; I81-L94 PolarHBondContact O-N 3.21Å; A92-L94 HydrophobicContact CB-CD2 4.03Å; A92-L94 WeakPolarHBondContact O-CD2 3.34Å; L94-Q98 HydrophobicContact CD1-CB 4.22Å; L94-Q98 WeakPolarHBondContact CD1-O 3.41Å; L94-L99 HydrophobicContact CD1-CB 4.46Å; L94-L99 HydrophobicContact CD1-CD1 4.34Å; L94-L99 HydrophobicContact CD2-CD1 4.43Å; L94-H102 HydrophobicContact CD1-CB 3.34Å
95R96Very high91.9Very high91 Ų9165.2 Ų65.234%0.34336%0.362SS..EExtended strand (participates in β ladder)trans-68.7145.5173.3-68-179.658.1-143.2-16.4109.8S77 L79 D97 Q98 L99S77-R95 PolarHBondContact O-NE 3.44Å; S77-R95 PolarHBondContact O-NH2 3.44Å; L79-R95 CarbonylContact O-C 3.53Å; L79-R95 WeakPolarHBondContact O-CA 3.39Å; R95-D97 WeakPolarHBondContact CB-OD1 3.23Å; R95-D97 IonicContact CZ-OD1 3.44Å; R95-D97 IonicContact CZ-OD2 2.81Å; R95-D97 VanDerWaalsContact CZ-OD2 3.27Å; R95-D97 IonicContact NE-OD1 3.89Å; R95-D97 IonicContact NH1-OD2 3.78Å; R95-D97 VanDerWaalsContact NH2-CG 3.35Å; R95-D97 IonicContact NH2-OD1 2.61Å; R95-D97 PolarHBondContact NH2-OD1 2.97Å; R95-D97 IonicContact NH2-OD2 3.2Å; R95-D97 PolarHBondContact NH2-OD2 3.24Å; R95-D97 PolarHBondContact O-N 3.28Å; R95-D97 VanDerWaalsContact O-N 3.17Å; R95-Q98 HydrophobicContact CB-CG 4.45Å; R95-Q98 WeakPolarHBondContact O-CA 3.08Å; R95-Q98 WeakPolarHBondContact O-CB 3.46Å; R95-Q98 PolarHBondContact O-N 3.06Å; R95-L99 PolarHBondContact O-N 3.38Å
96L95.1Very high91.8Very high15 Ų1564.7 Ų64.78%0.07936%0.359CS..Hα-helixtrans-56.4-35.3-176.9-172.962.2000112.6Y3 F8 L76 L79 I81 Q98 L99Y3-L96 HydrophobicContact CD1-CD1 4.26Å; Y3-L96 HydrophobicContact CD2-CD1 3.93Å; Y3-L96 HydrophobicContact CD2-CD2 4.15Å; Y3-L96 HydrophobicContact CE1-CD1 4.16Å; Y3-L96 HydrophobicContact CE2-CD1 3.78Å; Y3-L96 HydrophobicContact CE2-CD2 3.99Å; Y3-L96 HydrophobicContact CE2-CG 4.23Å; Y3-L96 HydrophobicContact CG-CD1 4.17Å; F8-L96 HydrophobicContact CE1-CD1 4.1Å; F8-L96 HydrophobicContact CE1-CD2 4.24Å; F8-L96 HydrophobicContact CZ-CD1 3.99Å; F8-L96 HydrophobicContact CZ-CD2 4.28Å; L76-L96 HydrophobicContact CB-CD2 4.41Å; L76-L96 WeakPolarHBondContact O-CB 3.28Å; L76-L96 WeakPolarHBondContact O-CD2 3.37Å; L79-L96 PolarHBondContact O-N 3.43Å; I81-L96 HydrophobicContact CB-CD1 4.49Å; I81-L96 HydrophobicContact CD1-CD1 4.02Å; I81-L96 HydrophobicContact CG2-CD1 4Å; L96-Q98 PolarHBondContact O-N 3.42Å; L96-L99 HydrophobicContact CD1-CD2 4.1Å; L96-L99 WeakPolarHBondContact O-CB 3.33Å; L96-L99 PolarHBondContact O-N 3.2Å
97D93.1Very high91.7Very high79 Ų7968.8 Ų68.842%0.42237%0.37SS..Hα-helixtrans-66.5-19.4176.462-16000114R95R95-D97 WeakPolarHBondContact CB-OD1 3.23Å; R95-D97 IonicContact CZ-OD1 3.44Å; R95-D97 IonicContact CZ-OD2 2.81Å; R95-D97 VanDerWaalsContact CZ-OD2 3.27Å; R95-D97 IonicContact NE-OD1 3.89Å; R95-D97 IonicContact NH1-OD2 3.78Å; R95-D97 VanDerWaalsContact NH2-CG 3.35Å; R95-D97 IonicContact NH2-OD1 2.61Å; R95-D97 PolarHBondContact NH2-OD1 2.97Å; R95-D97 IonicContact NH2-OD2 3.2Å; R95-D97 PolarHBondContact NH2-OD2 3.24Å; R95-D97 PolarHBondContact O-N 3.28Å; R95-D97 VanDerWaalsContact O-N 3.17Å
98Q94.9Very high91.7Very high95 Ų9567.8 Ų67.844%0.44435%0.354SS..Hα-helixtrans-97-7.2177-63175.8-2400113L94 R95 L96 Q100 S101 H102L94-Q98 HydrophobicContact CD1-CB 4.22Å; L94-Q98 WeakPolarHBondContact CD1-O 3.41Å; R95-Q98 HydrophobicContact CB-CG 4.45Å; R95-Q98 WeakPolarHBondContact O-CA 3.08Å; R95-Q98 WeakPolarHBondContact O-CB 3.46Å; R95-Q98 PolarHBondContact O-N 3.06Å; L96-Q98 PolarHBondContact O-N 3.42Å; Q98-Q100 PolarHBondContact O-N 2.89Å; Q98-S101 PolarHBondContact O-N 3.45Å; Q98-S101 PolarHBondContact O-OG 2.89Å; Q98-H102 PolarHBondContact O-N 3.43Å; Q98-H102 VanDerWaalsContact O-N 3.1Å
99L93.5Very high91.9Very high0 Ų063.7 Ų63.70%034%0.338CS..Hα-helixtrans-60.2-45.5-175-179.264.3000112.1Y3 I81 L94 R95 L96 S101 H102 L103Y3-L99 HydrophobicContact CD1-CD2 4.21Å; Y3-L99 HydrophobicContact CE1-CD2 3.88Å; I81-L99 HydrophobicContact CD1-CD2 3.97Å; I81-L99 HydrophobicContact CG2-CB 4.3Å; I81-L99 HydrophobicContact CG2-CD1 4.18Å; I81-L99 HydrophobicContact CG2-CD2 4.09Å; I81-L99 HydrophobicContact CG2-CG 4.42Å; L94-L99 HydrophobicContact CD1-CB 4.46Å; L94-L99 HydrophobicContact CD1-CD1 4.34Å; L94-L99 HydrophobicContact CD2-CD1 4.43Å; R95-L99 PolarHBondContact O-N 3.38Å; L96-L99 HydrophobicContact CD1-CD2 4.1Å; L96-L99 WeakPolarHBondContact O-CB 3.33Å; L96-L99 PolarHBondContact O-N 3.2Å; L99-S101 PolarHBondContact O-N 3.5Å; L99-H102 PolarHBondContact O-N 3.24Å; L99-L103 HydrophobicContact CD1-CD1 4.26Å; L99-L103 HydrophobicContact CD1-CG 4.14Å; L99-L103 HydrophobicContact CG-CD1 3.99Å; L99-L103 HydrophobicContact CG-CG 4.3Å; L99-L103 WeakPolarHBondContact O-CG 2.92Å; L99-L103 PolarHBondContact O-N 3.32Å
100Q91.2Very high91.7Very high97 Ų9763 Ų6345%0.45333%0.326SS..Hα-helixtrans-66.4-35.7-176.5-70.5-61.3-24.500113.3Q98 K104Q98-Q100 PolarHBondContact O-N 2.89Å; Q100-K104 WeakPolarHBondContact O-CG 3.3Å
101S92.9Very high91.4Very high67 Ų6770.1 Ų70.147%0.46936%0.356SS..Hα-helixtrans-69.8-44.4174.251.70000110.8Q98 L99 L103 K104Q98-S101 PolarHBondContact O-N 3.45Å; Q98-S101 PolarHBondContact O-OG 2.89Å; L99-S101 PolarHBondContact O-N 3.5Å; S101-L103 PolarHBondContact O-N 2.65Å; S101-K104 PolarHBondContact O-N 3.12Å
102H93.5Very high91.1Very high48 Ų4867.9 Ų67.922%0.22233%0.332CS..Hα-helixtrans-59-43.9176.6173.978.1000112.8C83 C90 L94 Q98 L99 K104 D105 C106C83-H102 PolarHBondContact SG-CD2 3.24Å; C83-H102 PolarHBondContact SG-NE2 3.41Å; C90-H102 PolarHBondContact SG-NE2 3.03Å; L94-H102 HydrophobicContact CD1-CB 3.34Å; Q98-H102 PolarHBondContact O-N 3.43Å; Q98-H102 VanDerWaalsContact O-N 3.1Å; L99-H102 PolarHBondContact O-N 3.24Å; H102-K104 PolarHBondContact O-N 3.46Å; H102-D105 CarbonylContact O-C 3.58Å; H102-D105 PolarHBondContact O-N 3.09Å; H102-D105 VanDerWaalsContact O-N 3.1Å; H102-C106 PolarHBondContact NE2-SG 3.07Å; H102-C106 VanDerWaalsContact NE2-SG 3.4Å; H102-C106 WeakPolarHBondContact O-CA 3.4Å; H102-C106 VanDerWaalsContact O-CB 3.25Å; H102-C106 WeakPolarHBondContact O-CB 3.25Å; H102-C106 PolarHBondContact O-N 3.45Å
103L90.2Very high90.8Very high34 Ų3470.1 Ų70.118%0.17834%0.344CS..Hα-helixtrans-61.7-30.4-178.2-73.2174000113.6D84 L99 S101 N109D84-L103 HydrophobicContact CB-CD2 4Å; D84-L103 WeakPolarHBondContact OD2-CD1 3.4Å; L99-L103 HydrophobicContact CD1-CD1 4.26Å; L99-L103 HydrophobicContact CD1-CG 4.14Å; L99-L103 HydrophobicContact CG-CD1 3.99Å; L99-L103 HydrophobicContact CG-CG 4.3Å; L99-L103 WeakPolarHBondContact O-CG 2.92Å; L99-L103 PolarHBondContact O-N 3.32Å; S101-L103 PolarHBondContact O-N 2.65Å; L103-N109 PolarHBondContact O-ND2 3.28Å
104K87.7Confident90.5Very high157 Ų15768.7 Ų68.768%0.68334%0.335SS*.Hα-helixtrans-66.5-39.3175.3-68.7174.7-177.5-176.70111.9Q100 S101 H102Q100-K104 WeakPolarHBondContact O-CG 3.3Å; S101-K104 PolarHBondContact O-N 3.12Å; H102-K104 PolarHBondContact O-N 3.46Å
105D87.8Confident90.4Very high116 Ų11672.4 Ų72.462%0.6236%0.355SS*.Hα-helixtrans-105.62.6-173.2-59-41.5000113.4H102 E107H102-D105 CarbonylContact O-C 3.58Å; H102-D105 PolarHBondContact O-N 3.09Å; H102-D105 VanDerWaalsContact O-N 3.1Å; D105-E107 PolarHBondContact O-N 2.66Å; D105-E107 VanDerWaalsContact O-N 3.14Å
106C90.8Very high90.1Very high2 Ų268.4 Ų68.41%0.01434%0.341CS..  trans-62.9117.2-173.8-175.50000110.8H102 H108 N109H102-C106 PolarHBondContact NE2-SG 3.07Å; H102-C106 VanDerWaalsContact NE2-SG 3.4Å; H102-C106 WeakPolarHBondContact O-CA 3.4Å; H102-C106 VanDerWaalsContact O-CB 3.25Å; H102-C106 WeakPolarHBondContact O-CB 3.25Å; H102-C106 PolarHBondContact O-N 3.45Å; C106-H108 PolarHBondContact O-N 3.09Å; C106-N109 HydrophobicContact CB-CB 4.11Å; C106-N109 VanDerWaalsContact O-CB 3.28Å; C106-N109 WeakPolarHBondContact O-CB 3.48Å; C106-N109 PolarHBondContact O-N 3.19Å; C106-N109 VanDerWaalsContact O-N 3.08Å
107E86.8Confident89.7Confident134 Ų13476.5 Ų76.563%0.62638%0.379SS*.THydrogen-bonded Turntrans-64-23.8-180-61.8-174.4150.500113.4D105 K126D105-E107 PolarHBondContact O-N 2.66Å; D105-E107 VanDerWaalsContact O-N 3.14Å; E107-K126 PolarHBondContact O-NZ 3.23Å
108H88.7Confident89.2Confident80 Ų8080.7 Ų80.737%0.3740%0.396SS..THydrogen-bonded Turntrans-92.52.9179.5-5990.2000112.8N85 F88 C90 C106 P110N85-H108 HydrophobicContact CB-CB 4.25Å; F88-H108 HydrophobicContact CB-CB 4.47Å; F88-H108 WeakPolarHBondContact CB-O 3.26Å; F88-H108 PolarHBondContact O-CD2 3.22Å; C90-H108 HydrophobicContact CB-CB 3.91Å; C106-H108 PolarHBondContact O-N 3.09Å; H108-P110 WeakPolarHBondContact O-CD 3.07Å
109N89.5Confident88.6Confident35 Ų3579.3 Ų79.319%0.18741%0.407CS..  trans-71.5111.3173.4179.2-1.1000109.3N85 L103 C106 K111 R112N85-N109 WeakPolarHBondContact ND2-CB 3.26Å; L103-N109 PolarHBondContact O-ND2 3.28Å; C106-N109 HydrophobicContact CB-CB 4.11Å; C106-N109 VanDerWaalsContact O-CB 3.28Å; C106-N109 WeakPolarHBondContact O-CB 3.48Å; C106-N109 PolarHBondContact O-N 3.19Å; C106-N109 VanDerWaalsContact O-N 3.08Å; N109-K111 PolarHBondContact O-N 3.21Å; N109-K111 PolarHBondContact OD1-N 3.39Å; N109-R112 HydrophobicContact CB-CB 4.06Å; N109-R112 VanDerWaalsContact O-CB 3.3Å; N109-R112 WeakPolarHBondContact O-CB 3.39Å; N109-R112 PolarHBondContact O-N 3.34Å; N109-R112 PolarHBondContact OD1-N 2.63Å
110P85.1Confident88.4Confident24 Ų2480.2 Ų80.216%0.15641%0.413CS..THydrogen-bonded Turntrans-63.3-31.3-179.125.9-34.1000111.9F88 H108 R112 K126 D127F88-P110 HydrophobicContact CD1-CG 4.2Å; F88-P110 HydrophobicContact CD2-CG 4.04Å; F88-P110 HydrophobicContact CE1-CB 4.45Å; F88-P110 HydrophobicContact CE1-CG 4Å; F88-P110 HydrophobicContact CE2-CG 3.84Å; F88-P110 HydrophobicContact CG-CG 4.23Å; F88-P110 HydrophobicContact CZ-CG 3.82Å; H108-P110 WeakPolarHBondContact O-CD 3.07Å; P110-R112 VanDerWaalsContact C-N 3.32Å; P110-R112 PolarHBondContact O-N 3.23Å; P110-K126 WeakPolarHBondContact O-CB 3.3Å; P110-K126 PolarHBondContact O-N 2.94Å; P110-K126 VanDerWaalsContact O-N 3.08Å; P110-D127 HydrophobicContact CB-CB 3.83Å; P110-D127 PolarHBondContact O-N 2.99Å; P110-D127 VanDerWaalsContact O-OD1 3.04Å
111K86.3Confident88.3Confident158 Ų15877.9 Ų77.969%0.68742%0.415SS*.THydrogen-bonded Turntrans-89.15.9-179-63.7-175178.6-178.90113.7N109N109-K111 PolarHBondContact O-N 3.21Å; N109-K111 PolarHBondContact OD1-N 3.39Å
112R86.8Confident88.2Confident89 Ų8977.5 Ų77.534%0.33641%0.407SS..  trans-59.1126.4176.6-179.8174.5173.3-125.9-1108.7N109 P110 V114 K126N109-R112 HydrophobicContact CB-CB 4.06Å; N109-R112 VanDerWaalsContact O-CB 3.3Å; N109-R112 WeakPolarHBondContact O-CB 3.39Å; N109-R112 PolarHBondContact O-N 3.34Å; N109-R112 PolarHBondContact OD1-N 2.63Å; P110-R112 VanDerWaalsContact C-N 3.32Å; P110-R112 PolarHBondContact O-N 3.23Å; R112-V114 PolarHBondContact O-N 3.01Å; R112-K126 PolarHBondContact O-N 2.97Å
113P87.7Confident88.2Confident77 Ų7781.3 Ų81.350%0.543%0.425SS..EExtended strand (participates in β ladder)trans-65.3129.1175.325.7-31.7000109.3E123P113-E123 HydrophobicContact CB-CG 3.99Å; P113-E123 VanDerWaalsContact CB-OE1 3.3Å; P113-E123 WeakPolarHBondContact CB-OE1 3.37Å
114V89.1Confident88.1Confident25 Ų2580.6 Ų80.615%0.15242%0.421CS..EExtended strand (participates in β ladder)trans-132.4145.9175.6-64.10000108.9R112 E123 M124 K126 L129R112-V114 PolarHBondContact O-N 3.01Å; V114-E123 WeakPolarHBondContact O-CA 3.46Å; V114-M124 WeakPolarHBondContact CG2-O 2.85Å; V114-M124 PolarHBondContact N-O 3.14Å; V114-M124 PolarHBondContact O-N 3.42Å; V114-M124 VanDerWaalsContact O-O 3.1Å; V114-K126 HydrophobicContact CG1-CB 4.12Å; V114-K126 HydrophobicContact CG1-CG 4.48Å; V114-K126 HydrophobicContact CG2-CB 4.14Å; V114-L129 HydrophobicContact CG2-CD2 4.31Å
115N91.3Very high88.2Confident98 Ų9875 Ų7552%0.52440%0.401SS..EExtended strand (participates in β ladder)trans-86.3141.5174.3-66.114.1000108.7E117N115-E117 PolarHBondContact O-N 3.33Å; N115-E117 VanDerWaalsContact O-N 3.14Å
116C90.7Very high88.1Confident7 Ų773.7 Ų73.75%0.04739%0.39CS..  trans-66112.6171.4-1780000110.6E118 C120 G121 L122 L129 C134C116-E118 VanDerWaalsContact C-N 3.32Å; C116-C120 WeakPolarHBondContact CB-SG 3.01Å; C116-G121 PolarHBondContact O-N 2.92Å; C116-L122 PolarHBondContact N-O 3.46Å; C116-L129 HydrophobicContact CB-CD1 4.49Å; C116-C134 PolarHBondContact SG-SG 3.34Å
117E86.2Confident87.9Confident185 Ų18577.4 Ų77.486%0.86441%0.41SS*.THydrogen-bonded Turntrans-77.7-17.3-179.8-60.7-174.1171.700112.9N115 G119N115-E117 PolarHBondContact O-N 3.33Å; N115-E117 VanDerWaalsContact O-N 3.14Å; E117-G119 PolarHBondContact O-N 3.47Å
118E83.3Confident88Confident167 Ų16776 Ų7678%0.7840%0.403SS*.THydrogen-bonded Turntrans-75.816178.1-61.3-64.4136.100113.3C116C116-E118 VanDerWaalsContact C-N 3.32Å
119G81.5Confident87.9Confident66 Ų6675.3 Ų75.368%0.6840%0.401SS*.THydrogen-bonded Turntrans101.1-4.5163.400000117E117E117-G119 PolarHBondContact O-N 3.47Å
120C90.1Very high87.7Confident18 Ų1878.8 Ų78.812%0.12243%0.426CS..THydrogen-bonded Turntrans-85.6-20.317584.80000113.5C116 L122 H132 C134 L138C116-C120 WeakPolarHBondContact CB-SG 3.01Å; C120-L122 PolarHBondContact O-N 3.31Å; C120-H132 PolarHBondContact SG-NE2 3.04Å; C120-C134 HydrophobicContact CB-CB 4.1Å; C120-L138 HydrophobicContact CB-CD1 4.18Å; C120-L138 HydrophobicContact CB-CD2 4.02Å; C120-L138 HydrophobicContact CB-CG 3.89Å
121G88.4Confident87.9Confident48 Ų4884.6 Ų84.650%0.49546%0.456SS..  trans67.88.5176.800000115.5C116 E123C116-G121 PolarHBondContact O-N 2.92Å; G121-E123 PolarHBondContact O-N 2.97Å
122L91.6Very high88Confident59 Ų5979 Ų7931%0.30943%0.432SS..  trans-65.8129.7176.9-178.465.2000110.4C116 C120C116-L122 PolarHBondContact N-O 3.46Å; C120-L122 PolarHBondContact O-N 3.31Å
123E91.8Very high88.3Confident128 Ų12879 Ų7960%0.59844%0.438SS*.EExtended strand (participates in β ladder)trans-81.7126.6170.3-172.8178.7-17900109.7P113 V114 G121P113-E123 HydrophobicContact CB-CG 3.99Å; P113-E123 VanDerWaalsContact CB-OE1 3.3Å; P113-E123 WeakPolarHBondContact CB-OE1 3.37Å; V114-E123 WeakPolarHBondContact O-CA 3.46Å; G121-E123 PolarHBondContact O-N 2.97Å
124M88.5Confident88.5Confident19 Ų1976.5 Ų76.59%0.09442%0.423CS..EExtended strand (participates in β ladder)trans-153.6164.1-178.564.8-170.3-60.300112.5V114 E128 L129 H132V114-M124 WeakPolarHBondContact CG2-O 2.85Å; V114-M124 PolarHBondContact N-O 3.14Å; V114-M124 PolarHBondContact O-N 3.42Å; V114-M124 VanDerWaalsContact O-O 3.1Å; M124-E128 HydrophobicContact CE-CB 3.44Å; M124-E128 VanDerWaalsContact CE-CB 3.44Å; M124-E128 WeakPolarHBondContact CE-O 3.14Å; M124-L129 HydrophobicContact SD-CD1 4.32Å; M124-H132 HydrophobicContact CE-CB 3.86Å; M124-H132 HydrophobicContact SD-CB 3.71Å; M124-H132 VanDerWaalsContact SD-CG 3.56Å; M124-H132 PolarHBondContact SD-ND1 3.32Å
125P89.9Confident88.6Confident39 Ų3980.1 Ų80.125%0.25344%0.44SS..EExtended strand (participates in β ladder)trans-57.9141.3172.4-27.238.2000113.1D127 E128 L129P125-D127 VanDerWaalsContact C-N 3.27Å; P125-D127 WeakPolarHBondContact CB-OD1 3.37Å; P125-D127 PolarHBondContact O-N 3.37Å; P125-E128 HydrophobicContact CB-CB 4.41Å; P125-E128 HydrophobicContact CB-CG 4.16Å; P125-E128 HydrophobicContact CG-CG 4.4Å; P125-E128 PolarHBondContact O-N 3.22Å; P125-E128 VanDerWaalsContact O-N 3.08Å; P125-L129 PolarHBondContact O-N 3.1Å
126K86.6Confident88.7Confident90 Ų9083 Ų8339%0.39145%0.448SS..THydrogen-bonded Turntrans-58.7-34.9-179.8-177.1177.5174.2178.50113.3E107 P110 R112 V114 E128 L129E107-K126 PolarHBondContact O-NZ 3.23Å; P110-K126 WeakPolarHBondContact O-CB 3.3Å; P110-K126 PolarHBondContact O-N 2.94Å; P110-K126 VanDerWaalsContact O-N 3.08Å; R112-K126 PolarHBondContact O-N 2.97Å; V114-K126 HydrophobicContact CG1-CB 4.12Å; V114-K126 HydrophobicContact CG1-CG 4.48Å; V114-K126 HydrophobicContact CG2-CB 4.14Å; K126-E128 VanDerWaalsContact C-N 3.32Å; K126-L129 WeakPolarHBondContact O-CB 3.47Å; K126-L129 PolarHBondContact O-N 3.24Å
127D87.1Confident88.8Confident80 Ų8085.3 Ų85.343%0.42846%0.458SS..THydrogen-bonded Turntrans-71.2-24.1177.161.2-21.5000114P110 P125 P130P110-D127 HydrophobicContact CB-CB 3.83Å; P110-D127 PolarHBondContact O-N 2.99Å; P110-D127 VanDerWaalsContact O-OD1 3.04Å; P125-D127 VanDerWaalsContact C-N 3.27Å; P125-D127 WeakPolarHBondContact CB-OD1 3.37Å; P125-D127 PolarHBondContact O-N 3.37Å; D127-P130 WeakPolarHBondContact O-CD 3.09Å
128E88.1Confident89.1Confident103 Ų10380.1 Ų80.148%0.48144%0.436SS..THydrogen-bonded Turntrans-84.1-19.1175.2-66.7-175.7-171.600113M124 P125 K126 P130 N131 H132M124-E128 HydrophobicContact CE-CB 3.44Å; M124-E128 VanDerWaalsContact CE-CB 3.44Å; M124-E128 WeakPolarHBondContact CE-O 3.14Å; P125-E128 HydrophobicContact CB-CB 4.41Å; P125-E128 HydrophobicContact CB-CG 4.16Å; P125-E128 HydrophobicContact CG-CG 4.4Å; P125-E128 PolarHBondContact O-N 3.22Å; P125-E128 VanDerWaalsContact O-N 3.08Å; K126-E128 VanDerWaalsContact C-N 3.32Å; E128-P130 VanDerWaalsContact C-CD 3.48Å; E128-N131 PolarHBondContact O-N 3.04Å; E128-H132 PolarHBondContact O-N 2.92Å
129L86.2Confident89.7Confident66 Ų6680.8 Ų80.835%0.34643%0.431SS..G310 helixtrans-53.9-43.7-177.5-172.570.1000113.8V114 C116 M124 P125 K126 N131 H132V114-L129 HydrophobicContact CG2-CD2 4.31Å; C116-L129 HydrophobicContact CB-CD1 4.49Å; M124-L129 HydrophobicContact SD-CD1 4.32Å; P125-L129 PolarHBondContact O-N 3.1Å; K126-L129 WeakPolarHBondContact O-CB 3.47Å; K126-L129 PolarHBondContact O-N 3.24Å; L129-N131 PolarHBondContact O-N 3.41Å; L129-H132 WeakPolarHBondContact O-CB 3.18Å; L129-H132 PolarHBondContact O-N 3.39Å; L129-H132 VanDerWaalsContact O-N 3.08Å
130P86.2Confident90.3Very high108 Ų10880.9 Ų80.970%0.70142%0.422SS*.G310 helixtrans-62.5-24.2178.1-22.835.1000114.3D127 E128D127-P130 WeakPolarHBondContact O-CD 3.09Å; E128-P130 VanDerWaalsContact C-CD 3.48Å
131N87.9Confident90.6Very high146 Ų14681.9 Ų81.978%0.78143%0.427SS*.G310 helixtrans-98.43.9179.8-64.7-43.1000112.4E128 L129E128-N131 PolarHBondContact O-N 3.04Å; L129-N131 PolarHBondContact O-N 3.41Å
132H89.8Confident90.9Very high41 Ų4184 Ų8419%0.1943%0.43CS..  trans-72140.3-179.3-177.670.3000112C120 M124 E128 L129 C134C120-H132 PolarHBondContact SG-NE2 3.04Å; M124-H132 HydrophobicContact CE-CB 3.86Å; M124-H132 HydrophobicContact SD-CB 3.71Å; M124-H132 VanDerWaalsContact SD-CG 3.56Å; M124-H132 PolarHBondContact SD-ND1 3.32Å; E128-H132 PolarHBondContact O-N 2.92Å; L129-H132 WeakPolarHBondContact O-CB 3.18Å; L129-H132 PolarHBondContact O-N 3.39Å; L129-H132 VanDerWaalsContact O-N 3.08Å; H132-C134 PolarHBondContact CD2-SG 3.24Å; H132-C134 WeakPolarHBondContact NE2-CA 3.43Å; H132-C134 PolarHBondContact NE2-N 3.12Å
133N91.8Very high91.2Very high88 Ų8887.6 Ų87.647%0.47145%0.445SS..  trans-122.497174.6-173.8-42.6000110.5I135 K136 H137N133-I135 VanDerWaalsContact C-N 3.26Å; N133-I135 PolarHBondContact O-N 3.34Å; N133-I135 PolarHBondContact OD1-N 3.19Å; N133-K136 HydrophobicContact CB-CB 4.08Å; N133-K136 PolarHBondContact O-N 3.01Å; N133-K136 PolarHBondContact OD1-N 3.43Å; N133-H137 PolarHBondContact O-N 3.44Å; N133-H137 VanDerWaalsContact O-N 3.1Å
134C92.2Very high91.4Very high25 Ų2587.9 Ų87.917%0.16945%0.447CS..Hα-helixtrans-53.5-43.3-178.8-64.10000112.3C116 C120 H132 K136 H137 L138C116-C134 PolarHBondContact SG-SG 3.34Å; C120-C134 HydrophobicContact CB-CB 4.1Å; H132-C134 PolarHBondContact CD2-SG 3.24Å; H132-C134 WeakPolarHBondContact NE2-CA 3.43Å; H132-C134 PolarHBondContact NE2-N 3.12Å; C134-K136 PolarHBondContact O-N 3.31Å; C134-H137 PolarHBondContact O-N 2.96Å; C134-L138 WeakPolarHBondContact O-CB 3.46Å; C134-L138 VanDerWaalsContact O-CG 3.28Å; C134-L138 WeakPolarHBondContact O-CG 3.25Å; C134-L138 PolarHBondContact O-N 2.95Å
135I92.3Very high91.8Very high101 Ų10192.5 Ų92.552%0.51847%0.468SS..Hα-helixtrans-66.2-43.2-175.2-60.6172.6000110.4N133 R139N133-I135 VanDerWaalsContact C-N 3.26Å; N133-I135 PolarHBondContact O-N 3.34Å; N133-I135 PolarHBondContact OD1-N 3.19Å; I135-R139 HydrophobicContact CG2-CG 4.45Å; I135-R139 WeakPolarHBondContact O-CB 3.29Å; I135-R139 VanDerWaalsContact O-CG 3.24Å; I135-R139 WeakPolarHBondContact O-CG 3.43Å; I135-R139 PolarHBondContact O-N 3.13Å
136K92.1Very high92.2Very high160 Ų16096.3 Ų96.370%0.69648%0.483SS*.Hα-helixtrans-62.7-44.6176.7-175.3-177.3176.1-174.20110.9N133 C134 S140N133-K136 HydrophobicContact CB-CB 4.08Å; N133-K136 PolarHBondContact O-N 3.01Å; N133-K136 PolarHBondContact OD1-N 3.43Å; C134-K136 PolarHBondContact O-N 3.31Å; K136-S140 PolarHBondContact O-N 3.28Å; K136-S140 VanDerWaalsContact O-N 3.12Å
137H92.9Very high92.8Very high54 Ų5495.5 Ų95.525%0.2549%0.485CS..Hα-helixtrans-62.1-53.3177.4177.663.9000111.5N133 C134 R139 S140 V141N133-H137 PolarHBondContact O-N 3.44Å; N133-H137 VanDerWaalsContact O-N 3.1Å; C134-H137 PolarHBondContact O-N 2.96Å; H137-R139 VanDerWaalsContact C-N 3.32Å; H137-R139 PolarHBondContact O-N 3.43Å; H137-S140 WeakPolarHBondContact O-CA 3.41Å; H137-S140 VanDerWaalsContact O-CB 3.29Å; H137-S140 WeakPolarHBondContact O-CB 3.11Å; H137-S140 PolarHBondContact O-N 3.29Å; H137-V141 WeakPolarHBondContact O-CG2 3.45Å; H137-V141 PolarHBondContact O-N 3.37Å
138L93.1Very high93.3Very high77 Ų7796.9 Ų96.940%0.40349%0.487SS..Hα-helixtrans-59.8-39.9-179.6-71.7172.7000112.3C120 C134 S140 V141 V142C120-L138 HydrophobicContact CB-CD1 4.18Å; C120-L138 HydrophobicContact CB-CD2 4.02Å; C120-L138 HydrophobicContact CB-CG 3.89Å; C134-L138 WeakPolarHBondContact O-CB 3.46Å; C134-L138 VanDerWaalsContact O-CG 3.28Å; C134-L138 WeakPolarHBondContact O-CG 3.25Å; C134-L138 PolarHBondContact O-N 2.95Å; L138-S140 VanDerWaalsContact C-N 3.33Å; L138-S140 PolarHBondContact O-N 2.8Å; L138-V141 PolarHBondContact O-N 3.16Å; L138-V142 WeakPolarHBondContact O-CG2 3.2Å; L138-V142 PolarHBondContact O-N 3.04Å
139R95.4Very high93.7Very high180 Ų18095.7 Ų95.768%0.67948%0.483SS*.Hα-helixtrans-61-41.5173.4-76.5176.4-175.1171.23.8112.4I135 H137 V142 Q143I135-R139 HydrophobicContact CG2-CG 4.45Å; I135-R139 WeakPolarHBondContact O-CB 3.29Å; I135-R139 VanDerWaalsContact O-CG 3.24Å; I135-R139 WeakPolarHBondContact O-CG 3.43Å; I135-R139 PolarHBondContact O-N 3.13Å; H137-R139 VanDerWaalsContact C-N 3.32Å; H137-R139 PolarHBondContact O-N 3.43Å; R139-V142 PolarHBondContact O-N 2.91Å; R139-Q143 WeakPolarHBondContact O-CB 3.3Å; R139-Q143 PolarHBondContact O-N 3.21Å
140S95.1Very high94.3Very high69 Ų6995.9 Ų95.948%0.48349%0.49SS..Hα-helixtrans-63-42.8175.3-170.70000111.5K136 H137 L138 Q143 Q144K136-S140 PolarHBondContact O-N 3.28Å; K136-S140 VanDerWaalsContact O-N 3.12Å; H137-S140 WeakPolarHBondContact O-CA 3.41Å; H137-S140 VanDerWaalsContact O-CB 3.29Å; H137-S140 WeakPolarHBondContact O-CB 3.11Å; H137-S140 PolarHBondContact O-N 3.29Å; L138-S140 VanDerWaalsContact C-N 3.33Å; L138-S140 PolarHBondContact O-N 2.8Å; S140-Q143 PolarHBondContact O-N 3.38Å; S140-Q144 WeakPolarHBondContact O-CB 3.48Å; S140-Q144 PolarHBondContact O-N 3.46Å
141V95.1Very high94.8Very high39 Ų3995.6 Ų95.624%0.23648%0.48CS..Hα-helixtrans-62.5-47.7177.5173.40000110.7H137 L138 Q143 Q144 Q145H137-V141 WeakPolarHBondContact O-CG2 3.45Å; H137-V141 PolarHBondContact O-N 3.37Å; L138-V141 PolarHBondContact O-N 3.16Å; V141-Q143 VanDerWaalsContact C-N 3.33Å; V141-Q143 PolarHBondContact O-N 2.94Å; V141-Q144 PolarHBondContact O-N 3.18Å; V141-Q145 HydrophobicContact CG1-CG 4.39Å; V141-Q145 WeakPolarHBondContact O-CB 3.45Å; V141-Q145 VanDerWaalsContact O-CG 3.32Å; V141-Q145 WeakPolarHBondContact O-CG 3.31Å; V141-Q145 PolarHBondContact O-N 3.29Å
142V96.3Very high95.3Very high91 Ų9193.1 Ų93.155%0.55247%0.466SS*.Hα-helixtrans-60.4-43.8177.3170.30000111L138 R139 Q144 Q145 Q146L138-V142 WeakPolarHBondContact O-CG2 3.2Å; L138-V142 PolarHBondContact O-N 3.04Å; R139-V142 PolarHBondContact O-N 2.91Å; V142-Q144 PolarHBondContact O-N 3.16Å; V142-Q145 PolarHBondContact O-N 3.02Å; V142-Q146 WeakPolarHBondContact O-CB 3.34Å; V142-Q146 PolarHBondContact O-N 3.13Å
143Q96.7Very high95.7Very high135 Ų13597.1 Ų97.163%0.63149%0.485SS*.Hα-helixtrans-62.4-44.4177.7-175.2175.12.500111.8R139 S140 V141 Q146 T147R139-Q143 WeakPolarHBondContact O-CB 3.3Å; R139-Q143 PolarHBondContact O-N 3.21Å; S140-Q143 PolarHBondContact O-N 3.38Å; V141-Q143 VanDerWaalsContact C-N 3.33Å; V141-Q143 PolarHBondContact O-N 2.94Å; Q143-Q146 PolarHBondContact O-N 3.14Å; Q143-T147 WeakPolarHBondContact O-CG2 3.49Å; Q143-T147 PolarHBondContact O-N 2.7Å; Q143-T147 PolarHBondContact O-OG1 3.33Å
144Q96.9Very high96Very high134 Ų13499.4 Ų99.463%0.62649%0.49SS*.Hα-helixtrans-65.1-39.2177.6-174.1-1798.400112.1S140 V141 V142 T147 K148S140-Q144 WeakPolarHBondContact O-CB 3.48Å; S140-Q144 PolarHBondContact O-N 3.46Å; V141-Q144 PolarHBondContact O-N 3.18Å; V142-Q144 PolarHBondContact O-N 3.16Å; Q144-T147 WeakPolarHBondContact CA-OG1 3.46Å; Q144-T147 PolarHBondContact O-OG1 3.04Å; Q144-K148 WeakPolarHBondContact O-CB 3.46Å; Q144-K148 PolarHBondContact O-N 3.32Å
145Q97Very high96.3Very high116 Ų116101 Ų10154%0.54250%0.499SS..Hα-helixtrans-64.6-42.4174.4-75.1179-11.700110.9V141 V142 T147 K148 I149V141-Q145 HydrophobicContact CG1-CG 4.39Å; V141-Q145 WeakPolarHBondContact O-CB 3.45Å; V141-Q145 VanDerWaalsContact O-CG 3.32Å; V141-Q145 WeakPolarHBondContact O-CG 3.31Å; V141-Q145 PolarHBondContact O-N 3.29Å; V142-Q145 PolarHBondContact O-N 3.02Å; Q145-T147 PolarHBondContact O-N 2.88Å; Q145-K148 PolarHBondContact O-N 3.45Å; Q145-K148 VanDerWaalsContact O-N 3.16Å; Q145-I149 VanDerWaalsContact O-CG1 3.29Å; Q145-I149 WeakPolarHBondContact O-CG1 3.34Å; Q145-I149 PolarHBondContact O-N 3.35Å
146Q97.9Very high96.5Very high120 Ų120100.7 Ų100.756%0.56150%0.502SS*.Hα-helixtrans-62.6-42.8177.7-170.162.140.700112.2V142 Q143 K148 S150V142-Q146 WeakPolarHBondContact O-CB 3.34Å; V142-Q146 PolarHBondContact O-N 3.13Å; Q143-Q146 PolarHBondContact O-N 3.14Å; Q146-K148 VanDerWaalsContact C-N 3.31Å; Q146-K148 PolarHBondContact O-N 3.35Å; Q146-S150 PolarHBondContact O-N 2.98Å; Q146-S150 VanDerWaalsContact O-N 3.13Å
147T97.8Very high96.8Very high73 Ų7396 Ų9645%0.44849%0.493SS..Hα-helixtrans-63.8-40.2174.552.60000111Q143 Q144 Q145 S150 E151Q143-T147 WeakPolarHBondContact O-CG2 3.49Å; Q143-T147 PolarHBondContact O-N 2.7Å; Q143-T147 PolarHBondContact O-OG1 3.33Å; Q144-T147 WeakPolarHBondContact CA-OG1 3.46Å; Q144-T147 PolarHBondContact O-OG1 3.04Å; Q145-T147 PolarHBondContact O-N 2.88Å; T147-S150 PolarHBondContact O-N 3.12Å; T147-E151 WeakPolarHBondContact O-CG 3.5Å; T147-E151 PolarHBondContact O-N 3.49Å
148K97.9Very high97Very high108 Ų10897.8 Ų97.847%0.4750%0.501SS..Hα-helixtrans-67.7-39.7-179.3-169.556.8178.3175.70112.8Q144 Q145 Q146 S150 E151 L152Q144-K148 WeakPolarHBondContact O-CB 3.46Å; Q144-K148 PolarHBondContact O-N 3.32Å; Q145-K148 PolarHBondContact O-N 3.45Å; Q145-K148 VanDerWaalsContact O-N 3.16Å; Q146-K148 VanDerWaalsContact C-N 3.31Å; Q146-K148 PolarHBondContact O-N 3.35Å; K148-S150 VanDerWaalsContact C-N 3.34Å; K148-E151 WeakPolarHBondContact CD-OE2 3.12Å; K148-E151 IonicContact NZ-OE2 3.94Å; K148-E151 PolarHBondContact NZ-OE2 2.9Å; K148-E151 PolarHBondContact O-N 3.44Å; K148-L152 HydrophobicContact CG-CD1 4.23Å; K148-L152 WeakPolarHBondContact O-CB 3.3Å; K148-L152 VanDerWaalsContact O-CG 3.3Å; K148-L152 WeakPolarHBondContact O-CG 3.49Å; K148-L152 PolarHBondContact O-N 3.47Å
149I98.1Very high97.2Very high78 Ų7899.4 Ų99.440%0.451%0.507SS..Hα-helixtrans-59.8-47.8174.4-70.9165.3000109.7Q145 E151 L152 E153Q145-I149 VanDerWaalsContact O-CG1 3.29Å; Q145-I149 WeakPolarHBondContact O-CG1 3.34Å; Q145-I149 PolarHBondContact O-N 3.35Å; I149-E151 VanDerWaalsContact C-N 3.35Å; I149-E151 PolarHBondContact O-N 3.41Å; I149-L152 PolarHBondContact O-N 3.42Å; I149-L152 VanDerWaalsContact O-N 3.16Å; I149-E153 HydrophobicContact CG2-CG 4.31Å; I149-E153 WeakPolarHBondContact O-CG 3.25Å; I149-E153 PolarHBondContact O-N 3.34Å
150S97.7Very high97.3Very high70 Ų7098.5 Ų98.549%0.4951%0.508SS..Hα-helixtrans-61.4-40.2179.3-176.20000113Q146 T147 K148 K154Q146-S150 PolarHBondContact O-N 2.98Å; Q146-S150 VanDerWaalsContact O-N 3.13Å; T147-S150 PolarHBondContact O-N 3.12Å; K148-S150 VanDerWaalsContact C-N 3.34Å; S150-K154 PolarHBondContact O-N 2.86Å; S150-K154 VanDerWaalsContact O-N 3.14Å
151E97.9Very high97.3Very high102 Ų102100.7 Ų100.748%0.47751%0.51SS..Hα-helixtrans-61.5-47.6172.9-74.3174.7-17500112T147 K148 I149 E153 K154 T155T147-E151 WeakPolarHBondContact O-CG 3.5Å; T147-E151 PolarHBondContact O-N 3.49Å; K148-E151 WeakPolarHBondContact CD-OE2 3.12Å; K148-E151 IonicContact NZ-OE2 3.94Å; K148-E151 PolarHBondContact NZ-OE2 2.9Å; K148-E151 PolarHBondContact O-N 3.44Å; I149-E151 VanDerWaalsContact C-N 3.35Å; I149-E151 PolarHBondContact O-N 3.41Å; E151-E153 VanDerWaalsContact C-N 3.35Å; E151-E153 PolarHBondContact O-N 2.99Å; E151-K154 WeakPolarHBondContact O-CB 3.36Å; E151-K154 PolarHBondContact O-N 3.12Å; E151-T155 PolarHBondContact O-N 3.16Å; E151-T155 PolarHBondContact O-OG1 3.48Å
152L98.1Very high97.4Very high95 Ų95103.4 Ų103.450%0.49752%0.52SS..Hα-helixtrans-63.8-40.7-179.5-72.7172.2000111.7K148 I149 K154 T155 V156K148-L152 HydrophobicContact CG-CD1 4.23Å; K148-L152 WeakPolarHBondContact O-CB 3.3Å; K148-L152 VanDerWaalsContact O-CG 3.3Å; K148-L152 WeakPolarHBondContact O-CG 3.49Å; K148-L152 PolarHBondContact O-N 3.47Å; I149-L152 PolarHBondContact O-N 3.42Å; I149-L152 VanDerWaalsContact O-N 3.16Å; L152-K154 VanDerWaalsContact C-N 3.3Å; L152-K154 PolarHBondContact O-N 2.84Å; L152-T155 PolarHBondContact O-N 3.31Å; L152-V156 WeakPolarHBondContact O-CB 3.45Å; L152-V156 VanDerWaalsContact O-CG2 3.28Å; L152-V156 WeakPolarHBondContact O-CG2 3.43Å; L152-V156 PolarHBondContact O-N 3.18Å
153E97.9Very high97.3Very high124 Ų124104.5 Ų104.558%0.57952%0.522SS*.Hα-helixtrans-59.1-42.1174.4-74.5176.3160.200111.7I149 E151 V156 A157I149-E153 HydrophobicContact CG2-CG 4.31Å; I149-E153 WeakPolarHBondContact O-CG 3.25Å; I149-E153 PolarHBondContact O-N 3.34Å; E151-E153 VanDerWaalsContact C-N 3.35Å; E151-E153 PolarHBondContact O-N 2.99Å; E153-V156 PolarHBondContact O-N 3.42Å; E153-A157 PolarHBondContact O-N 2.91Å
154K97.6Very high97.1Very high136 Ų13699.6 Ų99.659%0.59151%0.508SS*.Hα-helixtrans-63.1-47.4175.2-175.6-177.6174-171.90111.5S150 E151 L152 V156 A157 E158S150-K154 PolarHBondContact O-N 2.86Å; S150-K154 VanDerWaalsContact O-N 3.14Å; E151-K154 WeakPolarHBondContact O-CB 3.36Å; E151-K154 PolarHBondContact O-N 3.12Å; L152-K154 VanDerWaalsContact C-N 3.3Å; L152-K154 PolarHBondContact O-N 2.84Å; K154-V156 VanDerWaalsContact C-N 3.32Å; K154-V156 PolarHBondContact O-N 3.37Å; K154-A157 WeakPolarHBondContact O-CB 3.5Å; K154-A157 PolarHBondContact O-N 3.08Å; K154-A157 VanDerWaalsContact O-N 3.17Å; K154-E158 WeakPolarHBondContact CE-OE1 3.38Å; K154-E158 WeakPolarHBondContact O-CG 3.47Å; K154-E158 PolarHBondContact O-N 2.95Å
155T97.9Very high97.1Very high58 Ų5897 Ų9736%0.35650%0.496SS..Hα-helixtrans-61.6-39.8177.6-58.20000111.9E151 L152 A157 E158 H159E151-T155 PolarHBondContact O-N 3.16Å; E151-T155 PolarHBondContact O-OG1 3.48Å; L152-T155 PolarHBondContact O-N 3.31Å; T155-A157 VanDerWaalsContact C-N 3.35Å; T155-E158 PolarHBondContact O-N 2.92Å; T155-H159 PolarHBondContact O-CD2 3.45Å; T155-H159 VanDerWaalsContact O-CD2 3.32Å; T155-H159 PolarHBondContact O-N 3.36Å
156V98.1Very high96.9Very high96 Ų9697 Ų9758%0.58250%0.496SS*.Hα-helixtrans-63.2-41.8174.9167.90000111.1L152 E153 K154 K160L152-V156 WeakPolarHBondContact O-CB 3.45Å; L152-V156 VanDerWaalsContact O-CG2 3.28Å; L152-V156 WeakPolarHBondContact O-CG2 3.43Å; L152-V156 PolarHBondContact O-N 3.18Å; E153-V156 PolarHBondContact O-N 3.42Å; K154-V156 VanDerWaalsContact C-N 3.32Å; K154-V156 PolarHBondContact O-N 3.37Å; V156-K160 VanDerWaalsContact O-CB 3.28Å; V156-K160 WeakPolarHBondContact O-CB 3.3Å; V156-K160 PolarHBondContact O-N 3.47Å
157A97.8Very high96.4Very high60 Ų6097.7 Ų97.750%0.49650%0.497SS..Hα-helixtrans-63.2-43.3176.500000112E153 K154 T155 K160 H161E153-A157 PolarHBondContact O-N 2.91Å; K154-A157 WeakPolarHBondContact O-CB 3.5Å; K154-A157 PolarHBondContact O-N 3.08Å; K154-A157 VanDerWaalsContact O-N 3.17Å; T155-A157 VanDerWaalsContact C-N 3.35Å; A157-K160 PolarHBondContact O-N 3.3Å; A157-H161 PolarHBondContact O-N 3.2Å
158E97.5Very high96.2Very high92 Ų92100.6 Ų100.643%0.4350%0.5SS..Hα-helixtrans-62.4-48.2176.3-72.6171.6-178.500111.8K154 T155 K160 H161 Q162K154-E158 WeakPolarHBondContact CE-OE1 3.38Å; K154-E158 WeakPolarHBondContact O-CG 3.47Å; K154-E158 PolarHBondContact O-N 2.95Å; T155-E158 PolarHBondContact O-N 2.92Å; E158-K160 VanDerWaalsContact C-N 3.33Å; E158-K160 PolarHBondContact O-N 3.17Å; E158-H161 WeakPolarHBondContact O-CB 3.49Å; E158-H161 PolarHBondContact O-N 2.9Å; E158-H161 VanDerWaalsContact O-N 3.15Å; E158-Q162 WeakPolarHBondContact O-CG 3.42Å; E158-Q162 PolarHBondContact O-N 2.97Å
159H97.4Very high95.8Very high111 Ų111100 Ų10051%0.51450%0.501SS..Hα-helixtrans-63.7-37.5176.8-74.7-41.4000112.7T155 H161 Q162 L163T155-H159 PolarHBondContact O-CD2 3.45Å; T155-H159 VanDerWaalsContact O-CD2 3.32Å; T155-H159 PolarHBondContact O-N 3.36Å; H159-H161 VanDerWaalsContact C-N 3.28Å; H159-H161 PolarHBondContact O-N 2.83Å; H159-Q162 PolarHBondContact ND1-OE1 3.27Å; H159-Q162 PolarHBondContact O-N 3.27Å; H159-L163 WeakPolarHBondContact O-CB 3.34Å; H159-L163 PolarHBondContact O-N 2.9Å
160K96.1Very high95.2Very high162 Ų162100.5 Ų100.570%0.70450%0.504SS*.Hα-helixtrans-62.9-37.5174.7-173.8178.3179.3-179.70111.5V156 A157 E158 G164V156-K160 VanDerWaalsContact O-CB 3.28Å; V156-K160 WeakPolarHBondContact O-CB 3.3Å; V156-K160 PolarHBondContact O-N 3.47Å; A157-K160 PolarHBondContact O-N 3.3Å; E158-K160 VanDerWaalsContact C-N 3.33Å; E158-K160 PolarHBondContact O-N 3.17Å; K160-G164 PolarHBondContact O-N 2.94Å; K160-G164 VanDerWaalsContact O-N 3.12Å
161H96.8Very high94.4Very high114 Ų114102.6 Ų102.653%0.52851%0.506SS..Hα-helixtrans-65.2-49.8174.5-173.873.7000111.6A157 E158 H159 L163 G164 E165A157-H161 PolarHBondContact O-N 3.2Å; E158-H161 WeakPolarHBondContact O-CB 3.49Å; E158-H161 PolarHBondContact O-N 2.9Å; E158-H161 VanDerWaalsContact O-N 3.15Å; H159-H161 VanDerWaalsContact C-N 3.28Å; H159-H161 PolarHBondContact O-N 2.83Å; H161-L163 VanDerWaalsContact C-N 3.35Å; H161-L163 PolarHBondContact O-N 3.01Å; H161-G164 WeakPolarHBondContact O-CA 3.28Å; H161-G164 PolarHBondContact O-N 3.42Å; H161-E165 IonicContact CD2-OE2 2.65Å; H161-E165 IonicContact NE2-OE1 3.71Å; H161-E165 PolarHBondContact O-N 2.98Å
162Q96.4Very high94Very high96 Ų96103.7 Ų103.745%0.44951%0.514SS..Hα-helixtrans-58.7-43.2177.3-71172.8-8.700112.3E158 H159 G164 E165 Q166E158-Q162 WeakPolarHBondContact O-CG 3.42Å; E158-Q162 PolarHBondContact O-N 2.97Å; H159-Q162 PolarHBondContact ND1-OE1 3.27Å; H159-Q162 PolarHBondContact O-N 3.27Å; Q162-G164 VanDerWaalsContact C-N 3.26Å; Q162-G164 PolarHBondContact O-N 3.17Å; Q162-E165 WeakPolarHBondContact O-CB 3.33Å; Q162-E165 PolarHBondContact O-N 3.43Å; Q162-E165 VanDerWaalsContact O-N 3.12Å; Q162-Q166 WeakPolarHBondContact O-CG 3.43Å; Q162-Q166 PolarHBondContact O-N 2.92Å
163L93.8Very high93.3Very high115 Ų115104.2 Ų104.260%0.60252%0.517SS*.Hα-helixtrans-60.9-38.5175.6-166.696.8000111.3H159 H161 E165 K167H159-L163 WeakPolarHBondContact O-CB 3.34Å; H159-L163 PolarHBondContact O-N 2.9Å; H161-L163 VanDerWaalsContact C-N 3.35Å; H161-L163 PolarHBondContact O-N 3.01Å; L163-E165 VanDerWaalsContact C-N 3.34Å; L163-K167 VanDerWaalsContact O-CB 3.3Å; L163-K167 WeakPolarHBondContact O-CB 3.45Å; L163-K167 PolarHBondContact O-N 2.86Å
164G93Very high92.2Very high31 Ų31103.6 Ų103.632%0.3251%0.513SS..Hα-helixtrans-65.3-34.7174.800000113.4K160 H161 Q162 R168K160-G164 PolarHBondContact O-N 2.94Å; K160-G164 VanDerWaalsContact O-N 3.12Å; H161-G164 WeakPolarHBondContact O-CA 3.28Å; H161-G164 PolarHBondContact O-N 3.42Å; Q162-G164 VanDerWaalsContact C-N 3.26Å; Q162-G164 PolarHBondContact O-N 3.17Å; G164-R168 WeakPolarHBondContact O-CG 3.39Å; G164-R168 PolarHBondContact O-N 2.91Å; G164-R168 PolarHBondContact O-NE 3.32Å
165E96.5Very high91Very high81 Ų8199.3 Ų99.338%0.37950%0.502SS..Hα-helixtrans-68.8-52.9172.2-75.6-173.814000111.7H161 Q162 L163 K167 R168 D169H161-E165 IonicContact CD2-OE2 2.65Å; H161-E165 IonicContact NE2-OE1 3.71Å; H161-E165 PolarHBondContact O-N 2.98Å; Q162-E165 WeakPolarHBondContact O-CB 3.33Å; Q162-E165 PolarHBondContact O-N 3.43Å; Q162-E165 VanDerWaalsContact O-N 3.12Å; L163-E165 VanDerWaalsContact C-N 3.34Å; E165-K167 PolarHBondContact O-N 3.42Å; E165-R168 WeakPolarHBondContact O-CA 3.5Å; E165-R168 WeakPolarHBondContact O-CB 3.48Å; E165-R168 PolarHBondContact O-N 2.97Å; E165-R168 IonicContact OE1-NH2 3.65Å; E165-D169 PolarHBondContact O-N 3.36Å
166Q92.6Very high90Very high116 Ų116103.7 Ų103.754%0.54251%0.514SS..Hα-helixtrans-56.7-38.5177.7-71.6-179.5-25.600112.3Q162 R168 D169 I170Q162-Q166 WeakPolarHBondContact O-CG 3.43Å; Q162-Q166 PolarHBondContact O-N 2.92Å; Q166-R168 VanDerWaalsContact C-N 3.32Å; Q166-R168 PolarHBondContact O-N 3.15Å; Q166-D169 PolarHBondContact O-N 3.03Å; Q166-I170 WeakPolarHBondContact O-CB 3.3Å; Q166-I170 VanDerWaalsContact O-CG1 3.28Å; Q166-I170 WeakPolarHBondContact O-CG1 3.49Å; Q166-I170 PolarHBondContact O-N 3.04Å
167K88.6Confident88.7Confident134 Ų134103.2 Ų103.258%0.58351%0.506SS*.Hα-helixtrans-63.1-38175.7-171.3176.3-177.6178.50112.2L163 E165 Q171L163-K167 VanDerWaalsContact O-CB 3.3Å; L163-K167 WeakPolarHBondContact O-CB 3.45Å; L163-K167 PolarHBondContact O-N 2.86Å; E165-K167 PolarHBondContact O-N 3.42Å; K167-Q171 VanDerWaalsContact O-CG 3.3Å; K167-Q171 WeakPolarHBondContact O-CG 3.28Å; K167-Q171 PolarHBondContact O-N 3.39Å; K167-Q171 VanDerWaalsContact O-N 3.08Å
168R92.6Very high87.3Confident134 Ų134108 Ų10851%0.50651%0.511SS..Hα-helixtrans-67.1-43.4174.8-76-178.9-84.1139.9-15.4111G164 E165 Q166 I170 Q171 L172G164-R168 WeakPolarHBondContact O-CG 3.39Å; G164-R168 PolarHBondContact O-N 2.91Å; G164-R168 PolarHBondContact O-NE 3.32Å; E165-R168 WeakPolarHBondContact O-CA 3.5Å; E165-R168 WeakPolarHBondContact O-CB 3.48Å; E165-R168 PolarHBondContact O-N 2.97Å; E165-R168 IonicContact OE1-NH2 3.65Å; Q166-R168 VanDerWaalsContact C-N 3.32Å; Q166-R168 PolarHBondContact O-N 3.15Å; R168-I170 PolarHBondContact O-N 3.01Å; R168-Q171 WeakPolarHBondContact O-CB 3.47Å; R168-Q171 PolarHBondContact O-N 2.86Å; R168-Q171 VanDerWaalsContact O-N 3.16Å; R168-L172 PolarHBondContact O-N 3.39Å
169D90.4Very high86.1Confident94 Ų94106.1 Ų106.150%0.50351%0.512SS..Hα-helixtrans-62.4-43.5177.4-65.9-18.9000111.6E165 Q166 Q171 L172 L173E165-D169 PolarHBondContact O-N 3.36Å; Q166-D169 PolarHBondContact O-N 3.03Å; D169-Q171 VanDerWaalsContact C-N 3.31Å; D169-Q171 PolarHBondContact O-N 3.35Å; D169-L172 PolarHBondContact O-N 3.45Å; D169-L172 VanDerWaalsContact O-N 3.17Å; D169-L173 WeakPolarHBondContact O-CB 3.29Å; D169-L173 WeakPolarHBondContact O-CG 3.34Å; D169-L173 PolarHBondContact O-N 3.41Å
170I84.9Confident84.7Confident90 Ų90104.1 Ų104.146%0.46250%0.504SS..Hα-helixtrans-60.7-41.1174.6-71.1167.5000111Q166 R168 L172 L173 K174Q166-I170 WeakPolarHBondContact O-CB 3.3Å; Q166-I170 VanDerWaalsContact O-CG1 3.28Å; Q166-I170 WeakPolarHBondContact O-CG1 3.49Å; Q166-I170 PolarHBondContact O-N 3.04Å; R168-I170 PolarHBondContact O-N 3.01Å; I170-L172 VanDerWaalsContact C-N 3.33Å; I170-L173 PolarHBondContact O-N 3.43Å; I170-K174 HydrophobicContact CG2-CD 4.17Å; I170-K174 HydrophobicContact CG2-CG 4.45Å; I170-K174 WeakPolarHBondContact O-CB 3.4Å; I170-K174 VanDerWaalsContact O-CG 3.25Å; I170-K174 WeakPolarHBondContact O-CG 3.47Å; I170-K174 PolarHBondContact O-N 3.21Å
171Q80.8Confident83Confident114 Ų11499.7 Ų99.753%0.53348%0.483SS..Hα-helixtrans-63.6-40.3176.1-75.8174.7-11.700111.8K167 R168 D169 K174 A175K167-Q171 VanDerWaalsContact O-CG 3.3Å; K167-Q171 WeakPolarHBondContact O-CG 3.28Å; K167-Q171 PolarHBondContact O-N 3.39Å; K167-Q171 VanDerWaalsContact O-N 3.08Å; R168-Q171 WeakPolarHBondContact O-CB 3.47Å; R168-Q171 PolarHBondContact O-N 2.86Å; R168-Q171 VanDerWaalsContact O-N 3.16Å; D169-Q171 VanDerWaalsContact C-N 3.31Å; D169-Q171 PolarHBondContact O-N 3.35Å; Q171-K174 PolarHBondContact O-N 3.12Å; Q171-A175 PolarHBondContact O-N 2.9Å
172L89.4Confident81.5Confident124 Ų12499.3 Ų99.365%0.64949%0.493SS*.Hα-helixtrans-66.1-46.4176.6-175.366.1000111.6R168 D169 I170 K174 A175 Y176R168-L172 PolarHBondContact O-N 3.39Å; D169-L172 PolarHBondContact O-N 3.45Å; D169-L172 VanDerWaalsContact O-N 3.17Å; I170-L172 VanDerWaalsContact C-N 3.33Å; L172-K174 VanDerWaalsContact C-N 3.31Å; L172-K174 PolarHBondContact O-N 3.25Å; L172-A175 WeakPolarHBondContact O-CB 3.45Å; L172-A175 PolarHBondContact O-N 3.45Å; L172-A175 VanDerWaalsContact O-N 3.12Å; L172-Y176 WeakPolarHBondContact O-CB 3.46Å; L172-Y176 PolarHBondContact O-N 3.28Å
173L82.7Confident80.1Confident106 Ų10698.2 Ų98.256%0.55550%0.5SS*.Hα-helixtrans-59.9-41.7175.4-73.9170.8000111.5D169 I170 A175 Y176 M177D169-L173 WeakPolarHBondContact O-CB 3.29Å; D169-L173 WeakPolarHBondContact O-CG 3.34Å; D169-L173 PolarHBondContact O-N 3.41Å; I170-L173 PolarHBondContact O-N 3.43Å; L173-A175 PolarHBondContact O-N 3.17Å; L173-Y176 PolarHBondContact O-N 3.14Å; L173-M177 WeakPolarHBondContact O-CB 3.28Å; L173-M177 WeakPolarHBondContact O-CG 3.45Å; L173-M177 PolarHBondContact O-N 3.46Å
174K74.4Confident78.7Confident111 Ų11196.7 Ų96.748%0.48349%0.493SS..Hα-helixtrans-60.1-44.3173.1-77.2-179.6178.4-167.20111.7I170 Q171 L172 M177 R178I170-K174 HydrophobicContact CG2-CD 4.17Å; I170-K174 HydrophobicContact CG2-CG 4.45Å; I170-K174 WeakPolarHBondContact O-CB 3.4Å; I170-K174 VanDerWaalsContact O-CG 3.25Å; I170-K174 WeakPolarHBondContact O-CG 3.47Å; I170-K174 PolarHBondContact O-N 3.21Å; Q171-K174 PolarHBondContact O-N 3.12Å; L172-K174 VanDerWaalsContact C-N 3.31Å; L172-K174 PolarHBondContact O-N 3.25Å; K174-M177 HydrophobicContact CG-CE 4.32Å; K174-M177 PolarHBondContact O-N 2.89Å; K174-R178 WeakPolarHBondContact O-CG 3.35Å; K174-R178 PolarHBondContact O-N 3.29Å
175A74.4Confident77.2Confident46 Ų4699.7 Ų99.738%0.3851%0.507SS..Hα-helixtrans-63.9-41.6176.700000112.1Q171 L172 L173 R178 A179Q171-A175 PolarHBondContact O-N 2.9Å; L172-A175 WeakPolarHBondContact O-CB 3.45Å; L172-A175 PolarHBondContact O-N 3.45Å; L172-A175 VanDerWaalsContact O-N 3.12Å; L173-A175 PolarHBondContact O-N 3.17Å; A175-R178 PolarHBondContact O-N 3.47Å; A175-A179 PolarHBondContact O-N 3.5Å
176Y74.9Confident75.5Confident150 Ų150102.5 Ų102.559%0.58852%0.524SS*.Hα-helixtrans-64.7-43.8177.1-169.7-110.5000112L172 L173 R178 A179 I180L172-Y176 WeakPolarHBondContact O-CB 3.46Å; L172-Y176 PolarHBondContact O-N 3.28Å; L173-Y176 PolarHBondContact O-N 3.14Å; Y176-R178 PolarHBondContact O-N 3.16Å; Y176-A179 WeakPolarHBondContact O-CB 3.28Å; Y176-A179 PolarHBondContact O-N 3.13Å; Y176-I180 HydrophobicContact CD1-CD1 3.61Å; Y176-I180 HydrophobicContact CD1-CG1 4.39Å; Y176-I180 HydrophobicContact CE1-CD1 3.17Å; Y176-I180 HydrophobicContact CE1-CG1 4.12Å; Y176-I180 HydrophobicContact CE2-CD1 4.48Å; Y176-I180 HydrophobicContact CG-CD1 4.44Å; Y176-I180 WeakPolarHBondContact O-CG1 3.33Å; Y176-I180 PolarHBondContact O-N 2.86Å
177M71.4Confident73.8Confident86 Ų86100 Ų10042%0.42451%0.514SS..Hα-helixtrans-59.4-44.6173.5-76.4-168-69.600111.5L173 K174 A179 I180 R181L173-M177 WeakPolarHBondContact O-CB 3.28Å; L173-M177 WeakPolarHBondContact O-CG 3.45Å; L173-M177 PolarHBondContact O-N 3.46Å; K174-M177 HydrophobicContact CG-CE 4.32Å; K174-M177 PolarHBondContact O-N 2.89Å; M177-A179 VanDerWaalsContact C-N 3.32Å; M177-A179 PolarHBondContact O-N 3.31Å; M177-I180 PolarHBondContact O-N 2.88Å; M177-R181 WeakPolarHBondContact O-CB 3.4Å; M177-R181 WeakPolarHBondContact O-CD 3.32Å; M177-R181 WeakPolarHBondContact O-CG 3.45Å; M177-R181 PolarHBondContact O-N 3.14Å
178R69.5Low72.2Confident160 Ų16099.2 Ų99.260%0.60451%0.513SS*.Hα-helixtrans-59.2-42.3174.5-70.2177.2-158.5142.9-1.2112.2K174 A175 Y176 R181 S182K174-R178 WeakPolarHBondContact O-CG 3.35Å; K174-R178 PolarHBondContact O-N 3.29Å; A175-R178 PolarHBondContact O-N 3.47Å; Y176-R178 PolarHBondContact O-N 3.16Å; R178-R181 PolarHBondContact O-N 2.87Å; R178-S182 PolarHBondContact O-N 3.35Å
179A71.5Confident70.5Confident54 Ų5497.6 Ų97.645%0.44651%0.514SS..Hα-helixtrans-64-46.2177.800000112A175 Y176 M177 R181 S182 A183A175-A179 PolarHBondContact O-N 3.5Å; Y176-A179 WeakPolarHBondContact O-CB 3.28Å; Y176-A179 PolarHBondContact O-N 3.13Å; M177-A179 VanDerWaalsContact C-N 3.32Å; M177-A179 PolarHBondContact O-N 3.31Å; A179-R181 VanDerWaalsContact C-N 3.33Å; A179-R181 PolarHBondContact O-N 2.9Å; A179-S182 PolarHBondContact O-N 3.37Å; A179-S182 PolarHBondContact O-OG 3.46Å; A179-A183 PolarHBondContact O-N 3.16Å
180I68.3Low68.9Low68 Ų6897.7 Ų97.735%0.34951%0.514SS..Hα-helixtrans-61.3-42.2175.3-71.2176.8000111.3Y176 M177 A183 N184 L187Y176-I180 HydrophobicContact CD1-CD1 3.61Å; Y176-I180 HydrophobicContact CD1-CG1 4.39Å; Y176-I180 HydrophobicContact CE1-CD1 3.17Å; Y176-I180 HydrophobicContact CE1-CG1 4.12Å; Y176-I180 HydrophobicContact CE2-CD1 4.48Å; Y176-I180 HydrophobicContact CG-CD1 4.44Å; Y176-I180 WeakPolarHBondContact O-CG1 3.33Å; Y176-I180 PolarHBondContact O-N 2.86Å; M177-I180 PolarHBondContact O-N 2.88Å; I180-A183 WeakPolarHBondContact O-CB 3.41Å; I180-A183 PolarHBondContact O-N 2.98Å; I180-A183 VanDerWaalsContact O-N 3.14Å; I180-N184 PolarHBondContact O-N 3.49Å; I180-L187 HydrophobicContact CG2-CD1 4.22Å
181R60.7Low67.5Low69 Ų6996.6 Ų96.626%0.2651%0.507SS..Hα-helixtrans-62.9-42.2178.2-72.8170.5-170-173.3-0111.8M177 R178 A179 A183 N184 L187 E191M177-R181 WeakPolarHBondContact O-CB 3.4Å; M177-R181 WeakPolarHBondContact O-CD 3.32Å; M177-R181 WeakPolarHBondContact O-CG 3.45Å; M177-R181 PolarHBondContact O-N 3.14Å; R178-R181 PolarHBondContact O-N 2.87Å; A179-R181 VanDerWaalsContact C-N 3.33Å; A179-R181 PolarHBondContact O-N 2.9Å; R181-A183 PolarHBondContact O-N 3.39Å; R181-A183 VanDerWaalsContact O-N 3.13Å; R181-N184 CarbonylContact O-C 3.46Å; R181-N184 PolarHBondContact O-N 2.84Å; R181-L187 HydrophobicContact CG-CB 4.28Å; R181-E191 WeakPolarHBondContact CD-OE2 3.43Å; R181-E191 IonicContact CZ-OE2 3.47Å; R181-E191 IonicContact NH1-OE1 3.06Å; R181-E191 PolarHBondContact NH1-OE1 3.1Å; R181-E191 IonicContact NH1-OE2 3.02Å; R181-E191 PolarHBondContact NH1-OE2 3.26Å
182S64.4Low66.5Low106 Ų10697.2 Ų97.274%0.74151%0.51SS*.Hα-helixtrans-61.9-21.3175.773.60000113.5R178 A179R178-S182 PolarHBondContact O-N 3.35Å; A179-S182 PolarHBondContact O-N 3.37Å; A179-S182 PolarHBondContact O-OG 3.46Å
183A67.9Low65.3Low73 Ų7393.7 Ų93.760%0.60350%0.496SS*.THydrogen-bonded Turntrans-92.5-6.9177.500000113.9A179 I180 R181A179-A183 PolarHBondContact O-N 3.16Å; I180-A183 WeakPolarHBondContact O-CB 3.41Å; I180-A183 PolarHBondContact O-N 2.98Å; I180-A183 VanDerWaalsContact O-N 3.14Å; R181-A183 PolarHBondContact O-N 3.39Å; R181-A183 VanDerWaalsContact O-N 3.13Å
184N63.7Low64.7Low84 Ų8492.7 Ų92.745%0.44949%0.49SS..  trans-140.1104.9-175.7-90.7-59.2000113I180 R181 N186 L187I180-N184 PolarHBondContact O-N 3.49Å; R181-N184 CarbonylContact O-C 3.46Å; R181-N184 PolarHBondContact O-N 2.84Å; N184-N186 VanDerWaalsContact C-N 3.29Å; N184-N186 PolarHBondContact O-N 3.39Å; N184-L187 HydrophobicContact CB-CD1 3.96Å; N184-L187 PolarHBondContact O-N 3.01Å; N184-L187 VanDerWaalsContact O-N 3.16Å
185P61.5Low64.7Low93 Ų9391.3 Ų91.360%0.60449%0.485SS*.G310 helixtrans-59.8-31.1-178.3-23.432.2000114.9L187 Q188P185-L187 PolarHBondContact O-N 2.87Å; P185-Q188 VanDerWaalsContact O-CB 3.31Å; P185-Q188 WeakPolarHBondContact O-CB 3.43Å; P185-Q188 PolarHBondContact O-N 3.21Å
186N61.7Low64.9Low140 Ų14094.1 Ų94.175%0.74949%0.487SS*.G310 helixtrans-68.5-20.2-179.8-73-28.2000113.8N184N184-N186 VanDerWaalsContact C-N 3.29Å; N184-N186 PolarHBondContact O-N 3.39Å
187L55.8Low65.3Low63 Ų6391.1 Ų91.133%0.3348%0.481SS..G310 helixtrans-83.3-15.6176.3-87.8156.4000112.6I180 R181 N184 P185 L190 E191I180-L187 HydrophobicContact CG2-CD1 4.22Å; R181-L187 HydrophobicContact CG-CB 4.28Å; N184-L187 HydrophobicContact CB-CD1 3.96Å; N184-L187 PolarHBondContact O-N 3.01Å; N184-L187 VanDerWaalsContact O-N 3.16Å; P185-L187 PolarHBondContact O-N 2.87Å; L187-L190 HydrophobicContact CD2-CD2 4.27Å; L187-L190 WeakPolarHBondContact O-CB 3.47Å; L187-L190 PolarHBondContact O-N 3.48Å; L187-E191 PolarHBondContact O-N 2.98Å
188Q55.4Low66.1Low118 Ų11891.9 Ų91.955%0.55148%0.484SS*.Hα-helixtrans-71.1-38.9178.9-154.7157.3100111.2P185 L190 E191 E192P185-Q188 VanDerWaalsContact O-CB 3.31Å; P185-Q188 WeakPolarHBondContact O-CB 3.43Å; P185-Q188 PolarHBondContact O-N 3.21Å; Q188-L190 PolarHBondContact O-N 3.17Å; Q188-E191 WeakPolarHBondContact O-CB 3.46Å; Q188-E191 PolarHBondContact O-N 2.97Å; Q188-E191 VanDerWaalsContact O-N 3.13Å; Q188-E192 PolarHBondContact O-N 3.29Å
189N56.7Low67.1Low101 Ų10185.1 Ų85.154%0.5446%0.459SS..Hα-helixtrans-62.4-27.6171.6-66.1-21.7000113S193N189-S193 PolarHBondContact O-N 3.4Å; N189-S193 PolarHBondContact O-OG 3.14Å
190L56.6Low68Low96 Ų9684.9 Ų84.950%0.50345%0.45SS..Hα-helixtrans-74.5-29.5177.2-155.377.7000111.8L187 Q188 S193 I194L187-L190 HydrophobicContact CD2-CD2 4.27Å; L187-L190 WeakPolarHBondContact O-CB 3.47Å; L187-L190 PolarHBondContact O-N 3.48Å; Q188-L190 PolarHBondContact O-N 3.17Å; L190-S193 WeakPolarHBondContact CA-OG 3.45Å; L190-S193 PolarHBondContact O-OG 2.92Å; L190-I194 HydrophobicContact CG-CD1 4.38Å; L190-I194 VanDerWaalsContact O-CG1 3.3Å; L190-I194 WeakPolarHBondContact O-CG1 3.37Å; L190-I194 PolarHBondContact O-N 3.28Å; L190-I194 VanDerWaalsContact O-N 3.16Å
191E55.5Low69.2Low66 Ų6688.5 Ų88.531%0.30847%0.465SS..Hα-helixtrans-70.7-44.8175.6-170.8157-156.900111.4R181 L187 Q188 S193 I194 E195R181-E191 WeakPolarHBondContact CD-OE2 3.43Å; R181-E191 IonicContact CZ-OE2 3.47Å; R181-E191 IonicContact NH1-OE1 3.06Å; R181-E191 PolarHBondContact NH1-OE1 3.1Å; R181-E191 IonicContact NH1-OE2 3.02Å; R181-E191 PolarHBondContact NH1-OE2 3.26Å; L187-E191 PolarHBondContact O-N 2.98Å; Q188-E191 WeakPolarHBondContact O-CB 3.46Å; Q188-E191 PolarHBondContact O-N 2.97Å; Q188-E191 VanDerWaalsContact O-N 3.13Å; E191-S193 VanDerWaalsContact C-N 3.29Å; E191-S193 PolarHBondContact O-N 3.42Å; E191-I194 PolarHBondContact O-N 2.77Å; E191-E195 PolarHBondContact O-N 3.1Å
192E60.5Low70.8Confident128 Ų12885.7 Ų85.760%0.59846%0.455SS*.Hα-helixtrans-58.1-41.2174.5-68.8176.3-17800111.7Q188 Y196Q188-E192 PolarHBondContact O-N 3.29Å; E192-Y196 WeakPolarHBondContact O-CB 3.3Å; E192-Y196 PolarHBondContact O-N 3.17Å
193S64.4Low72.3Confident49 Ų4980.7 Ų80.734%0.34342%0.42SS..Hα-helixtrans-70.3-35.1177.9620000114.5N189 L190 E191 N197N189-S193 PolarHBondContact O-N 3.4Å; N189-S193 PolarHBondContact O-OG 3.14Å; L190-S193 WeakPolarHBondContact CA-OG 3.45Å; L190-S193 PolarHBondContact O-OG 2.92Å; E191-S193 VanDerWaalsContact C-N 3.29Å; E191-S193 PolarHBondContact O-N 3.42Å; S193-N197 PolarHBondContact O-N 2.88Å; S193-N197 VanDerWaalsContact O-N 3.12Å; S193-N197 PolarHBondContact O-ND2 3.39Å
194I70.2Confident73.5Confident85 Ų8582.6 Ų82.644%0.43642%0.42SS..Hα-helixtrans-73.4-46.2177.6-67.7166.7000110.3L190 E191 Y196 N197 E198L190-I194 HydrophobicContact CG-CD1 4.38Å; L190-I194 VanDerWaalsContact O-CG1 3.3Å; L190-I194 WeakPolarHBondContact O-CG1 3.37Å; L190-I194 PolarHBondContact O-N 3.28Å; L190-I194 VanDerWaalsContact O-N 3.16Å; E191-I194 PolarHBondContact O-N 2.77Å; I194-Y196 VanDerWaalsContact C-N 3.3Å; I194-Y196 PolarHBondContact O-N 3.33Å; I194-N197 PolarHBondContact O-N 2.9Å; I194-E198 PolarHBondContact O-N 3.4Å
195E74.4Confident75Confident82 Ų8282.3 Ų82.338%0.38343%0.425SS..Hα-helixtrans-61.1-41.1176.4-71.8-172.2170.400111.2E191 N197 E198 I199E191-E195 PolarHBondContact O-N 3.1Å; E195-N197 VanDerWaalsContact C-N 3.35Å; E195-N197 PolarHBondContact O-N 3.19Å; E195-E198 PolarHBondContact O-N 3.28Å; E195-I199 VanDerWaalsContact O-CG1 3.25Å; E195-I199 WeakPolarHBondContact O-CG1 3.46Å; E195-I199 PolarHBondContact O-N 2.72Å
196Y78.8Confident76.6Confident105 Ų10578.6 Ų78.641%0.41240%0.399SS..Hα-helixtrans-62.7-38.6175.6-171.2-102.6000112.9E192 I194 I199 L200 C291E192-Y196 WeakPolarHBondContact O-CB 3.3Å; E192-Y196 PolarHBondContact O-N 3.17Å; I194-Y196 VanDerWaalsContact C-N 3.3Å; I194-Y196 PolarHBondContact O-N 3.33Å; Y196-I199 PolarHBondContact O-N 3.45Å; Y196-L200 HydrophobicContact CD1-CD1 3.74Å; Y196-L200 HydrophobicContact CD1-CG 4.23Å; Y196-L200 HydrophobicContact CE1-CD1 3.39Å; Y196-L200 HydrophobicContact CE1-CD2 4.45Å; Y196-L200 HydrophobicContact CE1-CG 3.95Å; Y196-L200 WeakPolarHBondContact O-CG 3.44Å; Y196-L200 PolarHBondContact O-N 3.38Å; Y196-C291 HydrophobicContact CE2-CB 4.01Å
197N83Confident78.2Confident88 Ų8877.1 Ų77.147%0.47139%0.388SS..Hα-helixtrans-65.9-42.5175.5-74.4-33.1000112.2S193 I194 E195 I199 L200 E201S193-N197 PolarHBondContact O-N 2.88Å; S193-N197 VanDerWaalsContact O-N 3.12Å; S193-N197 PolarHBondContact O-ND2 3.39Å; I194-N197 PolarHBondContact O-N 2.9Å; E195-N197 VanDerWaalsContact C-N 3.35Å; E195-N197 PolarHBondContact O-N 3.19Å; N197-I199 VanDerWaalsContact C-N 3.29Å; N197-I199 PolarHBondContact O-N 2.81Å; N197-L200 PolarHBondContact O-N 3.37Å; N197-E201 WeakPolarHBondContact O-CG 3.44Å; N197-E201 PolarHBondContact O-N 2.87Å
198E88.3Confident80.2Confident102 Ų10276.7 Ų76.748%0.47739%0.389SS..Hα-helixtrans-60.8-39.8175.4-71.2-175.8-179.100111.6I194 E195 W202 P239I194-E198 PolarHBondContact O-N 3.4Å; E195-E198 PolarHBondContact O-N 3.28Å; E198-W202 PolarHBondContact O-N 3.37Å; E198-W202 VanDerWaalsContact O-N 3.1Å; E198-P239 HydrophobicContact CB-CG 4.46Å
199I90.4Very high82.2Confident18 Ų1871.5 Ų71.59%0.09237%0.366CS..Hα-helixtrans-63.5-48.1175.3-64.8166.9000110.3E195 Y196 N197 E201 W202 V203 P239 I242 M289E195-I199 VanDerWaalsContact O-CG1 3.25Å; E195-I199 WeakPolarHBondContact O-CG1 3.46Å; E195-I199 PolarHBondContact O-N 2.72Å; Y196-I199 PolarHBondContact O-N 3.45Å; N197-I199 VanDerWaalsContact C-N 3.29Å; N197-I199 PolarHBondContact O-N 2.81Å; I199-E201 PolarHBondContact O-N 3.06Å; I199-W202 PolarHBondContact O-N 2.68Å; I199-V203 HydrophobicContact CG2-CG2 4.17Å; I199-V203 WeakPolarHBondContact O-CB 3.47Å; I199-V203 WeakPolarHBondContact O-CG2 3.39Å; I199-V203 PolarHBondContact O-N 3.21Å; I199-P239 HydrophobicContact CG1-CG 4.08Å; I199-I242 HydrophobicContact CD1-CD1 4.26Å; I199-I242 HydrophobicContact CD1-CG2 3.75Å; I199-I242 HydrophobicContact CG1-CD1 3.95Å; I199-I242 HydrophobicContact CG1-CG2 4.39Å; I199-I242 HydrophobicContact CG2-CD1 4.2Å; I199-M289 HydrophobicContact CG2-CE 3.56Å
200L89.9Confident84.1Confident48 Ų4873.4 Ų73.425%0.25137%0.366SS..Hα-helixtrans-61-43178.9-76.4177000112.5Y196 N197 V203 N204Y196-L200 HydrophobicContact CD1-CD1 3.74Å; Y196-L200 HydrophobicContact CD1-CG 4.23Å; Y196-L200 HydrophobicContact CE1-CD1 3.39Å; Y196-L200 HydrophobicContact CE1-CD2 4.45Å; Y196-L200 HydrophobicContact CE1-CG 3.95Å; Y196-L200 WeakPolarHBondContact O-CG 3.44Å; Y196-L200 PolarHBondContact O-N 3.38Å; N197-L200 PolarHBondContact O-N 3.37Å; L200-V203 PolarHBondContact O-N 2.93Å; L200-N204 VanDerWaalsContact O-CB 3.29Å; L200-N204 WeakPolarHBondContact O-CB 3.3Å; L200-N204 PolarHBondContact O-N 3.08Å; L200-N204 PolarHBondContact O-ND2 3.15Å
201E92.9Very high86Confident144 Ų14469.4 Ų69.467%0.67335%0.345SS*.Hα-helixtrans-59.9-46.1176.6-75.8-177.9-179.400111.7N197 I199 N204 S205N197-E201 WeakPolarHBondContact O-CG 3.44Å; N197-E201 PolarHBondContact O-N 2.87Å; I199-E201 PolarHBondContact O-N 3.06Å; E201-N204 PolarHBondContact O-N 3.18Å; E201-S205 PolarHBondContact O-N 3.41Å; E201-S205 VanDerWaalsContact O-N 3.14Å
202W95.4Very high87.9Confident11 Ų1169.1 Ų69.14%0.04235%0.348CS..Hα-helixtrans-61.7-49.9176.3169.361.3000111.8E198 I199 N204 S205 M206 L233 S236 G237 C238 P239 I242 L246 V287 M289E198-W202 PolarHBondContact O-N 3.37Å; E198-W202 VanDerWaalsContact O-N 3.1Å; I199-W202 PolarHBondContact O-N 2.68Å; W202-N204 VanDerWaalsContact C-N 3.29Å; W202-N204 PolarHBondContact O-N 3.12Å; W202-S205 WeakPolarHBondContact O-CB 3.37Å; W202-S205 PolarHBondContact O-N 3.49Å; W202-S205 PolarHBondContact O-OG 3.23Å; W202-M206 HydrophobicContact CD2-SD 4.29Å; W202-M206 VanDerWaalsContact CE2-SD 3.54Å; W202-M206 HydrophobicContact CH2-SD 4.02Å; W202-M206 HydrophobicContact CZ2-CE 4.3Å; W202-M206 HydrophobicContact CZ2-SD 3.39Å; W202-M206 WeakPolarHBondContact CZ2-SD 3.46Å; W202-M206 PolarHBondContact O-N 3.26Å; W202-L233 HydrophobicContact CH2-CD2 4.21Å; W202-L233 HydrophobicContact CZ2-CD2 3.95Å; W202-S236 PolarHBondContact NE1-O 3.41Å; W202-S236 PolarHBondContact NE1-OG 3.14Å; W202-G237 VanDerWaalsContact CD1-C 3.4Å; W202-C238 HydrophobicContact CD2-CB 4.24Å; W202-C238 VanDerWaalsContact CE2-CA 3.48Å; W202-C238 HydrophobicContact CH2-CB 4.08Å; W202-C238 HydrophobicContact CZ2-CB 3.56Å; W202-P239 HydrophobicContact CB-CG 4.4Å; W202-I242 HydrophobicContact CE3-CD1 4.27Å; W202-I242 HydrophobicContact CZ3-CD1 3.88Å; W202-L246 HydrophobicContact CH2-CD1 3.84Å; W202-L246 HydrophobicContact CZ3-CD1 4.11Å; W202-V287 HydrophobicContact CH2-CG1 4.32Å; W202-V287 HydrophobicContact CH2-CG2 4.33Å; W202-M289 HydrophobicContact CZ3-CE 4.31Å; W202-M289 HydrophobicContact CZ3-SD 4Å
203V94.6Very high89.5Confident1 Ų169.8 Ų69.81%0.00635%0.345CS..Hα-helixtrans-60.2-39.3-179.4172.30000112I199 L200 S205 M206 K278 M289 E292I199-V203 HydrophobicContact CG2-CG2 4.17Å; I199-V203 WeakPolarHBondContact O-CB 3.47Å; I199-V203 WeakPolarHBondContact O-CG2 3.39Å; I199-V203 PolarHBondContact O-N 3.21Å; L200-V203 PolarHBondContact O-N 2.93Å; V203-S205 VanDerWaalsContact C-N 3.28Å; V203-S205 PolarHBondContact O-N 3.21Å; V203-M206 PolarHBondContact O-N 3.18Å; V203-K278 HydrophobicContact CG1-CG 4.32Å; V203-M289 HydrophobicContact CG1-CG 4.39Å; V203-M289 HydrophobicContact CG2-CB 4.46Å; V203-M289 HydrophobicContact CG2-CE 4.18Å; V203-M289 HydrophobicContact CG2-CG 3.63Å; V203-M289 HydrophobicContact CG2-SD 4.36Å; V203-E292 HydrophobicContact CG1-CG 4.04Å; V203-E292 WeakPolarHBondContact CG1-OE2 3.03Å
204N93.4Very high91Very high113 Ų11368.4 Ų68.460%0.60433%0.333SS*.Hα-helixtrans-68.5-25.4176.2-74.2-35.7000113.2L200 E201 W202 M206L200-N204 VanDerWaalsContact O-CB 3.29Å; L200-N204 WeakPolarHBondContact O-CB 3.3Å; L200-N204 PolarHBondContact O-N 3.08Å; L200-N204 PolarHBondContact O-ND2 3.15Å; E201-N204 PolarHBondContact O-N 3.18Å; W202-N204 VanDerWaalsContact C-N 3.29Å; W202-N204 PolarHBondContact O-N 3.12Å; N204-M206 VanDerWaalsContact C-N 3.32Å
205S95.7Very high92.1Very high78 Ų7867.4 Ų67.455%0.54534%0.343SS..Hα-helixtrans-76.6-17.617580.20000113.6E201 W202 V203E201-S205 PolarHBondContact O-N 3.41Å; E201-S205 VanDerWaalsContact O-N 3.14Å; W202-S205 WeakPolarHBondContact O-CB 3.37Å; W202-S205 PolarHBondContact O-N 3.49Å; W202-S205 PolarHBondContact O-OG 3.23Å; V203-S205 VanDerWaalsContact C-N 3.28Å; V203-S205 PolarHBondContact O-N 3.21Å
206M95.6Very high93.1Very high14 Ų1464.3 Ų64.37%0.06933%0.333CS..SBendtrans-82.3147.3-177-63.1-170.372.500112.9W202 V203 N204 K278 R279 V287W202-M206 HydrophobicContact CD2-SD 4.29Å; W202-M206 VanDerWaalsContact CE2-SD 3.54Å; W202-M206 HydrophobicContact CH2-SD 4.02Å; W202-M206 HydrophobicContact CZ2-CE 4.3Å; W202-M206 HydrophobicContact CZ2-SD 3.39Å; W202-M206 WeakPolarHBondContact CZ2-SD 3.46Å; W202-M206 PolarHBondContact O-N 3.26Å; V203-M206 PolarHBondContact O-N 3.18Å; N204-M206 VanDerWaalsContact C-N 3.32Å; M206-K278 HydrophobicContact CB-CB 3.82Å; M206-K278 HydrophobicContact CB-CD 4.18Å; M206-K278 HydrophobicContact CB-CG 4.16Å; M206-K278 HydrophobicContact CE-CB 4.15Å; M206-K278 HydrophobicContact SD-CB 4.08Å; M206-R279 WeakPolarHBondContact CE-O 3.41Å; M206-V287 HydrophobicContact CE-CG2 4.32Å
207Q95.7Very high94Very high109 Ų10960.5 Ų60.551%0.50932%0.319SS..PPolyproline II helixtrans-72.6134.4176.5-66.2-59.2-48.500111.5K278 R279Q207-K278 CarbonylContact O-C 3.58Å; Q207-K278 WeakPolarHBondContact O-CA 3.21Å; Q207-R279 PolarHBondContact O-N 3.02Å
208P96.8Very high94.7Very high54 Ų5459 Ų5935%0.35131%0.311SS..EExtended strand (participates in β ladder)trans-60.3142.2170.2-21.433.1000112I317P208-I317 HydrophobicContact CB-CB 4.36Å; P208-I317 HydrophobicContact CB-CD1 4.12Å; P208-I317 PolarHBondContact O-N 2.97Å
209A96.9Very high95.1Very high9 Ų955 Ų557%0.07429%0.294CS..EExtended strand (participates in β ladder)trans-118.2144.1-179.200000111.4A277 R279 V286 V314 E315A209-A277 HydrophobicContact CB-CB 4.29Å; A209-A277 PolarHBondContact N-O 2.83Å; A209-R279 HydrophobicContact CB-CB 3.88Å; A209-V286 HydrophobicContact CB-CG1 3.56Å; A209-V314 HydrophobicContact CB-CG1 4.24Å; A209-E315 WeakPolarHBondContact CA-O 3Å
210R96.3Very high95.4Very high141 Ų14158 Ų5853%0.53231%0.313SS..EExtended strand (participates in β ladder)trans-112.9125.3165.4-172177.868.8173.60.3109.7T212 E315 I317R210-T212 HydrophobicContact CG-CG2 4.47Å; R210-E315 IonicContact CZ-OE2 3.51Å; R210-E315 PolarHBondContact N-O 3.3Å; R210-E315 IonicContact NE-OE2 3.64Å; R210-E315 IonicContact NH2-OE2 3.45Å; R210-E315 PolarHBondContact NH2-OE2 2.79Å; R210-E315 PolarHBondContact O-N 3.21Å; R210-I317 HydrophobicContact CB-CD1 4.16Å; R210-I317 HydrophobicContact CB-CG1 3.89Å
211V97.2Very high95.8Very high13 Ų1355.9 Ų55.98%0.07930%0.302CS..EExtended strand (participates in β ladder)trans-95.6112.8173.6-178.60000109W214 V286 F310 G313 V314V211-W214 HydrophobicContact CB-CD2 4.21Å; V211-W214 HydrophobicContact CB-CH2 4.02Å; V211-W214 HydrophobicContact CB-CZ2 3.63Å; V211-W214 HydrophobicContact CB-CZ3 4.45Å; V211-W214 HydrophobicContact CG1-CD2 3.74Å; V211-W214 HydrophobicContact CG1-CE3 4.02Å; V211-W214 HydrophobicContact CG1-CG 4.18Å; V211-W214 HydrophobicContact CG1-CH2 4.37Å; V211-W214 HydrophobicContact CG1-CZ2 4.12Å; V211-W214 HydrophobicContact CG1-CZ3 4.32Å; V211-W214 HydrophobicContact CG2-CH2 4.06Å; V211-W214 HydrophobicContact CG2-CZ2 4.13Å; V211-W214 PolarHBondContact O-NE1 3.31Å; V211-V286 HydrophobicContact CG2-CG1 4.04Å; V211-V286 HydrophobicContact CG2-CG2 4.33Å; V211-F310 HydrophobicContact CG1-CD1 4.16Å; V211-F310 HydrophobicContact CG1-CE1 3.66Å; V211-F310 HydrophobicContact CG1-CE2 4.23Å; V211-F310 HydrophobicContact CG1-CZ 3.7Å; V211-F310 HydrophobicContact CG2-CE2 4.08Å; V211-F310 HydrophobicContact CG2-CZ 4.15Å; V211-G313 CarbonylContact C-O 3.56Å; V211-G313 WeakPolarHBondContact CA-O 3.5Å; V211-V314 HydrophobicContact CG2-CG2 4.46Å
212T95.5Very high96Very high59 Ų5953.8 Ų53.836%0.36230%0.296SS..SBendtrans-91.4-18.2-179.360.20000113R210 G313 E315R210-T212 HydrophobicContact CG-CG2 4.47Å; T212-G313 PolarHBondContact N-O 3.2Å; T212-G313 WeakPolarHBondContact OG1-CA 3.46Å; T212-G313 PolarHBondContact OG1-O 3.1Å; T212-G313 VanDerWaalsContact OG1-O 3.13Å; T212-E315 HydrophobicContact CG2-CG 4.44Å; T212-E315 WeakPolarHBondContact CG2-OE1 3.38Å; T212-E315 WeakPolarHBondContact CG2-OE2 3.19Å
213R95.1Very high96Very high143 Ų14356.8 Ų56.854%0.5432%0.323SS..  trans-133.573.2-175-65.5-175.6-179.1-128.8-2.7113.1G215 G216 H312R213-G215 PolarHBondContact O-N 3.02Å; R213-G215 VanDerWaalsContact O-N 3.14Å; R213-G216 PolarHBondContact O-N 2.95Å; R213-H312 WeakPolarHBondContact CD-CD2 3.45Å; R213-H312 VanDerWaalsContact CD-NE2 3.33Å; R213-H312 WeakPolarHBondContact CD-NE2 3.26Å; R213-H312 PolarHBondContact NH1-NE2 3.12Å
214W95.8Very high96.2Very high20 Ų2061.7 Ų61.78%0.07635%0.353CS..G310 helixtrans-55.5-30.5176.4-67.9104.2000115V211 G216 M217 R269 Y272 Y275 M308 F310V211-W214 HydrophobicContact CB-CD2 4.21Å; V211-W214 HydrophobicContact CB-CH2 4.02Å; V211-W214 HydrophobicContact CB-CZ2 3.63Å; V211-W214 HydrophobicContact CB-CZ3 4.45Å; V211-W214 HydrophobicContact CG1-CD2 3.74Å; V211-W214 HydrophobicContact CG1-CE3 4.02Å; V211-W214 HydrophobicContact CG1-CG 4.18Å; V211-W214 HydrophobicContact CG1-CH2 4.37Å; V211-W214 HydrophobicContact CG1-CZ2 4.12Å; V211-W214 HydrophobicContact CG1-CZ3 4.32Å; V211-W214 HydrophobicContact CG2-CH2 4.06Å; V211-W214 HydrophobicContact CG2-CZ2 4.13Å; V211-W214 PolarHBondContact O-NE1 3.31Å; W214-G216 PolarHBondContact O-N 3.33Å; W214-M217 HydrophobicContact CE3-CE 3.74Å; W214-M217 HydrophobicContact CZ3-CE 3.97Å; W214-M217 WeakPolarHBondContact O-CB 3.44Å; W214-M217 PolarHBondContact O-N 3.38Å; W214-R269 HydrophobicContact CB-CG 4.25Å; W214-Y272 HydrophobicContact CB-CD2 4.42Å; W214-Y272 HydrophobicContact CD2-CD2 4.19Å; W214-Y272 HydrophobicContact CD2-CG 4.3Å; W214-Y272 AromaticContact CE3-CD2 3.94Å; W214-Y272 HydrophobicContact CE3-CD2 3.94Å; W214-Y272 HydrophobicContact CE3-CG 4.05Å; W214-Y272 HydrophobicContact CG-CD2 4.41Å; W214-Y272 WeakPolarHBondContact CH2-O 3.37Å; W214-Y272 VanDerWaalsContact CZ2-C 3.49Å; W214-Y272 WeakPolarHBondContact CZ2-O 3.24Å; W214-Y272 HydrophobicContact CZ3-CG 4.31Å; W214-Y275 AromaticContact CH2-CD2 3.87Å; W214-Y275 HydrophobicContact CH2-CD2 3.87Å; W214-Y275 HydrophobicContact CZ3-CD2 4.32Å; W214-M308 HydrophobicContact CZ3-SD 3.81Å; W214-F310 HydrophobicContact CE3-CE1 4.08Å; W214-F310 AromaticContact CE3-CZ 3.92Å; W214-F310 HydrophobicContact CE3-CZ 3.92Å; W214-F310 AromaticContact CZ3-CZ 3.89Å; W214-F310 HydrophobicContact CZ3-CZ 3.89Å
215G93.4Very high96.3Very high63 Ų6358.7 Ų58.765%0.64934%0.336SS*.G310 helixtrans-70-12.9176.300000114.7R213 M217R213-G215 PolarHBondContact O-N 3.02Å; R213-G215 VanDerWaalsContact O-N 3.14Å; G215-M217 VanDerWaalsContact C-N 3.26Å
216G94.3Very high96.4Very high17 Ų1756.4 Ų56.418%0.17532%0.317CS..G310 helixtrans-87.511.2176.100000114R213 W214 F310 A311R213-G216 PolarHBondContact O-N 2.95Å; W214-G216 PolarHBondContact O-N 3.33Å; G216-F310 WeakPolarHBondContact O-CA 3.22Å; G216-A311 PolarHBondContact O-N 2.94Å
217M97.3Very high96.5Very high26 Ų2658.4 Ų58.413%0.12834%0.336CS..EExtended strand (participates in β ladder)trans-67.4131.4-179.6-171.4-175.3-70.500111.1W214 G215 W255 L259 M308 I309 F310W214-M217 HydrophobicContact CE3-CE 3.74Å; W214-M217 HydrophobicContact CZ3-CE 3.97Å; W214-M217 WeakPolarHBondContact O-CB 3.44Å; W214-M217 PolarHBondContact O-N 3.38Å; G215-M217 VanDerWaalsContact C-N 3.26Å; M217-W255 HydrophobicContact CG-CH2 3.85Å; M217-W255 HydrophobicContact SD-CH2 3.32Å; M217-W255 WeakPolarHBondContact SD-CH2 3.35Å; M217-W255 HydrophobicContact SD-CZ2 4.2Å; M217-W255 HydrophobicContact SD-CZ3 3.68Å; M217-L259 HydrophobicContact CE-CD2 4.43Å; M217-M308 HydrophobicContact CE-CB 4.45Å; M217-M308 HydrophobicContact CE-CG 4.3Å; M217-M308 HydrophobicContact CE-SD 3.64Å; M217-I309 WeakPolarHBondContact CA-O 3.41Å; M217-F310 HydrophobicContact CB-CD1 3.99Å; M217-F310 HydrophobicContact CB-CE1 3.7Å; M217-F310 HydrophobicContact CB-CZ 4.48Å; M217-F310 HydrophobicContact CE-CE1 3.95Å; M217-F310 HydrophobicContact CE-CZ 3.85Å; M217-F310 HydrophobicContact CG-CE1 4.07Å; M217-F310 HydrophobicContact CG-CZ 4.39Å
218I97.6Very high96.6Very high56 Ų5656.2 Ų56.229%0.28733%0.33SS..EExtended strand (participates in β ladder)trans-93.2101.3175.2-57.5175.6000107.2P221 L225 I309I218-P221 HydrophobicContact CG2-CB 4.35Å; I218-L225 HydrophobicContact CD1-CD2 4.19Å; I218-L225 HydrophobicContact CG2-CD2 4.31Å; I218-I309 HydrophobicContact CB-CB 4.49Å; I218-I309 HydrophobicContact CD1-CG2 4.23Å; I218-I309 PolarHBondContact N-O 2.71Å
219S97.1Very high96.7Very high19 Ų1953.8 Ų53.813%0.13331%0.314CS..SBendtrans-85-16.9-174.9680000114.5P221 H251 E252 W255 R265S219-P221 VanDerWaalsContact C-CD 3.47Å; S219-H251 PolarHBondContact O-ND1 3.43Å; S219-E252 WeakPolarHBondContact CB-OE2 3.43Å; S219-E252 WeakPolarHBondContact O-CG 3.37Å; S219-E252 PolarHBondContact O-N 3.47Å; S219-E252 PolarHBondContact OG-OE2 3.3Å; S219-W255 VanDerWaalsContact CB-CZ3 3.48Å; S219-R265 PolarHBondContact OG-NH2 3.24Å
220T97.2Very high96.7Very high79 Ų7956.7 Ų56.749%0.48533%0.325SS..SBendtrans-127.265.5179.760.80000110.6E252T220-E252 HydrophobicContact CG2-CG 4.01Å; T220-E252 WeakPolarHBondContact CG2-OE1 3.49Å
221P97.1Very high96.8Very high5 Ų558.4 Ų58.43%0.03233%0.331CS..  trans-65.6137.4178.529.5-35.7000110.4I218 S219 L225 Q226 A250 H251 I309I218-P221 HydrophobicContact CG2-CB 4.35Å; S219-P221 VanDerWaalsContact C-CD 3.47Å; P221-L225 HydrophobicContact CB-CB 4.33Å; P221-L225 HydrophobicContact CB-CD2 3.76Å; P221-L225 HydrophobicContact CB-CG 4.1Å; P221-Q226 HydrophobicContact CB-CG 4.13Å; P221-Q226 HydrophobicContact CG-CG 3.97Å; P221-A250 WeakPolarHBondContact CG-O 3.39Å; P221-H251 HydrophobicContact CG-CB 4.44Å; P221-I309 HydrophobicContact CB-CD1 3.81Å; P221-I309 HydrophobicContact CG-CD1 4.04Å
222D97.4Very high96.8Very high99 Ų9958.5 Ų58.553%0.52933%0.333SS..  trans-72.4169.6175.373.42.5000111.9V224 L225 Q226D222-V224 PolarHBondContact O-N 2.73Å; D222-V224 PolarHBondContact OD1-N 2.93Å; D222-L225 PolarHBondContact O-N 3.42Å; D222-L225 WeakPolarHBondContact OD1-CB 3.29Å; D222-L225 PolarHBondContact OD1-N 2.93Å; D222-Q226 WeakPolarHBondContact O-CG 3.41Å; D222-Q226 PolarHBondContact O-N 3.34Å
223A96.2Very high96.9Very high75 Ų7555.7 Ų55.762%0.6232%0.316SS*.Hα-helixtrans-61.3-30.4-177.100000113A227A223-A227 WeakPolarHBondContact O-CB 3.5Å; A223-A227 PolarHBondContact O-N 3.35Å
224V97.7Very high96.9Very high103 Ų10352.5 Ų52.562%0.62431%0.308SS*.Hα-helixtrans-70.2-48.1178.9178.30000109.9D222 Q226 A227 V228D222-V224 PolarHBondContact O-N 2.73Å; D222-V224 PolarHBondContact OD1-N 2.93Å; V224-Q226 PolarHBondContact O-N 2.82Å; V224-A227 PolarHBondContact O-N 3Å; V224-V228 WeakPolarHBondContact O-CG2 3.38Å; V224-V228 PolarHBondContact O-N 3.18Å
225L96.6Very high97Very high50 Ų5057 Ų5726%0.26233%0.334SS..Hα-helixtrans-62.2-43.7177.1-177.555.5000111.1I218 P221 D222 A227 V228 I229 I309I218-L225 HydrophobicContact CD1-CD2 4.19Å; I218-L225 HydrophobicContact CG2-CD2 4.31Å; P221-L225 HydrophobicContact CB-CB 4.33Å; P221-L225 HydrophobicContact CB-CD2 3.76Å; P221-L225 HydrophobicContact CB-CG 4.1Å; D222-L225 PolarHBondContact O-N 3.42Å; D222-L225 WeakPolarHBondContact OD1-CB 3.29Å; D222-L225 PolarHBondContact OD1-N 2.93Å; L225-A227 VanDerWaalsContact C-N 3.35Å; L225-A227 PolarHBondContact O-N 2.98Å; L225-V228 PolarHBondContact O-N 3.36Å; L225-I229 HydrophobicContact CD1-CG1 4.46Å; L225-I229 WeakPolarHBondContact O-CG1 3.43Å; L225-I229 PolarHBondContact O-N 3.3Å; L225-I309 HydrophobicContact CD1-CG2 4.39Å; L225-I309 HydrophobicContact CD2-CD1 4.4Å; L225-I309 HydrophobicContact CD2-CG2 4.16Å; L225-I309 HydrophobicContact CG-CD1 4.18Å; L225-I309 HydrophobicContact CG-CG2 4.47Å
226Q97.5Very high97Very high30 Ų3055.3 Ų55.314%0.1431%0.312CS..Hα-helixtrans-58.2-44.2173.5-73.7-176.6-23.700112.1P221 D222 V224 V228 I229 K230 I247P221-Q226 HydrophobicContact CB-CG 4.13Å; P221-Q226 HydrophobicContact CG-CG 3.97Å; D222-Q226 WeakPolarHBondContact O-CG 3.41Å; D222-Q226 PolarHBondContact O-N 3.34Å; V224-Q226 PolarHBondContact O-N 2.82Å; Q226-V228 PolarHBondContact O-N 3.08Å; Q226-I229 PolarHBondContact O-N 3.18Å; Q226-K230 VanDerWaalsContact O-CB 3.3Å; Q226-K230 WeakPolarHBondContact O-CB 3.46Å; Q226-K230 PolarHBondContact O-N 2.96Å; Q226-I247 HydrophobicContact CB-CG2 4Å; Q226-I247 HydrophobicContact CG-CG2 4.4Å
227A97.4Very high97Very high57 Ų5757 Ų5747%0.47133%0.329SS..Hα-helixtrans-64.6-37.5177.500000112.8A223 V224 L225 K230 R231A223-A227 WeakPolarHBondContact O-CB 3.5Å; A223-A227 PolarHBondContact O-N 3.35Å; V224-A227 PolarHBondContact O-N 3Å; L225-A227 VanDerWaalsContact C-N 3.35Å; L225-A227 PolarHBondContact O-N 2.98Å; A227-K230 PolarHBondContact O-N 2.79Å; A227-R231 PolarHBondContact O-N 3.23Å
228V97.9Very high96.9Very high62 Ų6256 Ų5638%0.37633%0.325SS..Hα-helixtrans-64.8-45.1175.6170.10000111.2V224 L225 Q226 R231 S232 K283V224-V228 WeakPolarHBondContact O-CG2 3.38Å; V224-V228 PolarHBondContact O-N 3.18Å; L225-V228 PolarHBondContact O-N 3.36Å; Q226-V228 PolarHBondContact O-N 3.08Å; V228-R231 PolarHBondContact O-N 3.19Å; V228-S232 PolarHBondContact O-N 3.45Å; V228-S232 PolarHBondContact O-OG 3.44Å; V228-K283 HydrophobicContact CG1-CD 4.34Å
229I98.2Very high96.6Very high4 Ų454 Ų542%0.02132%0.315CS..Hα-helixtrans-65.9-42.5177.2-62.4-57000110.9L225 Q226 R231 S232 L233 I247 I280 K283 A285 V307 I309L225-I229 HydrophobicContact CD1-CG1 4.46Å; L225-I229 WeakPolarHBondContact O-CG1 3.43Å; L225-I229 PolarHBondContact O-N 3.3Å; Q226-I229 PolarHBondContact O-N 3.18Å; I229-R231 VanDerWaalsContact C-N 3.28Å; I229-R231 PolarHBondContact O-N 3.01Å; I229-S232 PolarHBondContact O-N 3.08Å; I229-S232 VanDerWaalsContact O-N 3.1Å; I229-L233 HydrophobicContact CG2-CD1 4.36Å; I229-L233 HydrophobicContact CG2-CG 4.46Å; I229-L233 PolarHBondContact O-N 3.06Å; I229-I247 HydrophobicContact CB-CD1 4.07Å; I229-I247 HydrophobicContact CG2-CD1 3.81Å; I229-I280 HydrophobicContact CG2-CD1 3.66Å; I229-K283 HydrophobicContact CD1-CB 4.03Å; I229-K283 HydrophobicContact CD1-CD 4.15Å; I229-K283 HydrophobicContact CD1-CG 3.86Å; I229-A285 HydrophobicContact CD1-CB 3.9Å; I229-V307 HydrophobicContact CG2-CG1 3.93Å; I229-I309 HydrophobicContact CG1-CD1 3.76Å; I229-I309 HydrophobicContact CG1-CG1 4.13Å
230K98Very high96.2Very high69 Ų6959.2 Ų59.230%0.334%0.341SS..Hα-helixtrans-54.5-45.8175.9-173.3174.5-173.81720111.7Q226 A227 S232 L233 I234 V243 N244 I247Q226-K230 VanDerWaalsContact O-CB 3.3Å; Q226-K230 WeakPolarHBondContact O-CB 3.46Å; Q226-K230 PolarHBondContact O-N 2.96Å; A227-K230 PolarHBondContact O-N 2.79Å; K230-S232 PolarHBondContact O-N 3.48Å; K230-L233 PolarHBondContact O-N 3.3Å; K230-I234 HydrophobicContact CG-CD1 4.25Å; K230-I234 WeakPolarHBondContact O-CG1 3.5Å; K230-I234 PolarHBondContact O-N 3.2Å; K230-I234 VanDerWaalsContact O-N 3.07Å; K230-V243 HydrophobicContact CG-CG2 4.25Å; K230-N244 WeakPolarHBondContact CE-OD1 3.39Å; K230-N244 PolarHBondContact NZ-OD1 3.3Å; K230-I247 HydrophobicContact CB-CD1 3.84Å; K230-I247 HydrophobicContact CB-CG1 3.78Å; K230-I247 HydrophobicContact CG-CG1 4.03Å
231R97.7Very high95.8Very high177 Ų17757.9 Ų57.967%0.66834%0.335SS*.Hα-helixtrans-62-44.3177.8-175164-175.7129.11.9111.8A227 V228 I229 L233 I234 D235A227-R231 PolarHBondContact O-N 3.23Å; V228-R231 PolarHBondContact O-N 3.19Å; I229-R231 VanDerWaalsContact C-N 3.28Å; I229-R231 PolarHBondContact O-N 3.01Å; R231-L233 VanDerWaalsContact C-N 3.33Å; R231-L233 PolarHBondContact O-N 3.4Å; R231-I234 PolarHBondContact O-N 3.34Å; R231-D235 WeakPolarHBondContact O-CB 3.47Å; R231-D235 VanDerWaalsContact O-CG 3.23Å; R231-D235 PolarHBondContact O-N 3.47Å
232S97.8Very high95.6Very high16 Ų1658.2 Ų58.211%0.11234%0.337CS..Hα-helixtrans-65.8-32.4177.7-65.50000113.8V228 I229 K230 S236 K283V228-S232 PolarHBondContact O-N 3.45Å; V228-S232 PolarHBondContact O-OG 3.44Å; I229-S232 PolarHBondContact O-N 3.08Å; I229-S232 VanDerWaalsContact O-N 3.1Å; K230-S232 PolarHBondContact O-N 3.48Å; S232-S236 WeakPolarHBondContact O-CB 3.3Å; S232-S236 PolarHBondContact O-N 3.04Å; S232-S236 VanDerWaalsContact O-N 3.09Å; S232-K283 WeakPolarHBondContact OG-CE 3.39Å
233L97.5Very high95.5Very high0 Ų053.7 Ų53.70%031%0.312CS..Hα-helixtrans-64.5-47.9171.1-71.3173.8000111.2W202 I229 K230 R231 D235 S236 G237 C238 V243 L246 I247 I280 V287 V307W202-L233 HydrophobicContact CH2-CD2 4.21Å; W202-L233 HydrophobicContact CZ2-CD2 3.95Å; I229-L233 HydrophobicContact CG2-CD1 4.36Å; I229-L233 HydrophobicContact CG2-CG 4.46Å; I229-L233 PolarHBondContact O-N 3.06Å; K230-L233 PolarHBondContact O-N 3.3Å; R231-L233 VanDerWaalsContact C-N 3.33Å; R231-L233 PolarHBondContact O-N 3.4Å; L233-D235 PolarHBondContact O-N 3.43Å; L233-S236 PolarHBondContact O-N 2.87Å; L233-S236 VanDerWaalsContact O-N 3.12Å; L233-S236 PolarHBondContact O-OG 2.84Å; L233-G237 PolarHBondContact O-N 3.38Å; L233-C238 HydrophobicContact CB-CB 3.99Å; L233-C238 WeakPolarHBondContact O-CB 3.48Å; L233-C238 PolarHBondContact O-N 3.16Å; L233-C238 VanDerWaalsContact O-N 3.09Å; L233-V243 HydrophobicContact CB-CG2 4.03Å; L233-V243 HydrophobicContact CD1-CG2 4.38Å; L233-L246 HydrophobicContact CD1-CB 4.4Å; L233-I247 HydrophobicContact CD1-CD1 3.82Å; L233-I247 HydrophobicContact CD1-CG1 4.16Å; L233-I280 HydrophobicContact CD2-CD1 3.77Å; L233-I280 HydrophobicContact CD2-CG1 3.99Å; L233-I280 HydrophobicContact CG-CD1 4.23Å; L233-V287 HydrophobicContact CD2-CG2 3.67Å; L233-V307 HydrophobicContact CD1-CG2 4.26Å
234I96.1Very high95.4Very high75 Ų7553.6 Ų53.639%0.38530%0.302SS..Hα-helixtrans-59.9-46.5177.5-65.1169.8000110.7K230 R231 S236 G237 V243K230-I234 HydrophobicContact CG-CD1 4.25Å; K230-I234 WeakPolarHBondContact O-CG1 3.5Å; K230-I234 PolarHBondContact O-N 3.2Å; K230-I234 VanDerWaalsContact O-N 3.07Å; R231-I234 PolarHBondContact O-N 3.34Å; I234-S236 PolarHBondContact O-N 3.35Å; I234-G237 PolarHBondContact O-N 3.06Å; I234-V243 HydrophobicContact CG1-CG2 3.97Å
235D96.1Very high95.3Very high116 Ų11652 Ų5262%0.6229%0.29SS*.Hα-helixtrans-64.1-23.9179.4-66.8-19000112R231 L233 G237R231-D235 WeakPolarHBondContact O-CB 3.47Å; R231-D235 VanDerWaalsContact O-CG 3.23Å; R231-D235 PolarHBondContact O-N 3.47Å; L233-D235 PolarHBondContact O-N 3.43Å; D235-G237 VanDerWaalsContact C-N 3.3Å
236S94.6Very high95.3Very high27 Ų2749.7 Ų49.719%0.18928%0.277CS..THydrogen-bonded Turntrans-82.5-0.617476.90000114.6W202 S232 L233 I234W202-S236 PolarHBondContact NE1-O 3.41Å; W202-S236 PolarHBondContact NE1-OG 3.14Å; S232-S236 WeakPolarHBondContact O-CB 3.3Å; S232-S236 PolarHBondContact O-N 3.04Å; S232-S236 VanDerWaalsContact O-N 3.09Å; L233-S236 PolarHBondContact O-N 2.87Å; L233-S236 VanDerWaalsContact O-N 3.12Å; L233-S236 PolarHBondContact O-OG 2.84Å; I234-S236 PolarHBondContact O-N 3.35Å
237G93.9Very high95.4Very high51 Ų5148.9 Ų48.953%0.52627%0.274SS..THydrogen-bonded Turntrans87.118-177.900000114.9W202 L233 I234 D235W202-G237 VanDerWaalsContact CD1-C 3.4Å; L233-G237 PolarHBondContact O-N 3.38Å; I234-G237 PolarHBondContact O-N 3.06Å; D235-G237 VanDerWaalsContact C-N 3.3Å
238C94.6Very high95.3Very high6 Ų651 Ų514%0.04127%0.274CS..  trans-56.6130.7176.8-178.90000111.1W202 L233 L240W202-C238 HydrophobicContact CD2-CB 4.24Å; W202-C238 VanDerWaalsContact CE2-CA 3.48Å; W202-C238 HydrophobicContact CH2-CB 4.08Å; W202-C238 HydrophobicContact CZ2-CB 3.56Å; L233-C238 HydrophobicContact CB-CB 3.99Å; L233-C238 WeakPolarHBondContact O-CB 3.48Å; L233-C238 PolarHBondContact O-N 3.16Å; L233-C238 VanDerWaalsContact O-N 3.09Å; C238-L240 PolarHBondContact O-N 3.25Å
239P93Very high95.3Very high13 Ų1348.8 Ų48.88%0.08426%0.26CS..  trans-56.2133.8175.6-24.733.1000111.5E198 I199 W202 S241 I242 V243E198-P239 HydrophobicContact CB-CG 4.46Å; I199-P239 HydrophobicContact CG1-CG 4.08Å; W202-P239 HydrophobicContact CB-CG 4.4Å; P239-S241 PolarHBondContact O-N 2.91Å; P239-I242 HydrophobicContact CB-CG1 4.23Å; P239-I242 PolarHBondContact O-N 2.91Å; P239-V243 PolarHBondContact O-N 3.16Å
240L88.1Confident95.2Very high129 Ų12948.6 Ų48.668%0.67526%0.259SS*.THydrogen-bonded Turntrans-67-19.1-177.5-65.7178.1000112.8C238 I242 V243C238-L240 PolarHBondContact O-N 3.25Å; L240-I242 VanDerWaalsContact C-N 3.35Å; L240-V243 HydrophobicContact CD2-CG1 4.45Å
241S88Confident95.2Very high52 Ų5247 Ų4736%0.36425%0.253SS..THydrogen-bonded Turntrans-63.2-38.5174.946.60000112.1P239P239-S241 PolarHBondContact O-N 2.91Å
242I93.3Very high95.1Very high12 Ų1241.3 Ų41.36%0.06223%0.233CC..THydrogen-bonded Turntrans-107.6-13.4-171.963.4165.3000114.9I199 W202 P239 L240 N244 D245 L246 M289 P304I199-I242 HydrophobicContact CD1-CD1 4.26Å; I199-I242 HydrophobicContact CD1-CG2 3.75Å; I199-I242 HydrophobicContact CG1-CD1 3.95Å; I199-I242 HydrophobicContact CG1-CG2 4.39Å; I199-I242 HydrophobicContact CG2-CD1 4.2Å; W202-I242 HydrophobicContact CE3-CD1 4.27Å; W202-I242 HydrophobicContact CZ3-CD1 3.88Å; P239-I242 HydrophobicContact CB-CG1 4.23Å; P239-I242 PolarHBondContact O-N 2.91Å; L240-I242 VanDerWaalsContact C-N 3.35Å; I242-N244 VanDerWaalsContact C-N 3.28Å; I242-N244 PolarHBondContact O-N 2.92Å; I242-D245 PolarHBondContact O-N 3.14Å; I242-L246 HydrophobicContact CD1-CD1 3.99Å; I242-L246 HydrophobicContact CG1-CD1 4.3Å; I242-L246 WeakPolarHBondContact O-CG 3.28Å; I242-L246 PolarHBondContact O-N 3.27Å; I242-M289 HydrophobicContact CD1-CE 3.98Å; I242-P304 HydrophobicContact CB-CB 4.2Å; I242-P304 HydrophobicContact CB-CG 3.73Å; I242-P304 HydrophobicContact CG2-CB 3.88Å; I242-P304 HydrophobicContact CG2-CG 3.84Å
243V95.7Very high95Very high4 Ų448.3 Ų48.32%0.02426%0.258CS..Hα-helixtrans-62.6-31.5-170.870.60000113.8K230 L233 I234 P239 L240 I247K230-V243 HydrophobicContact CG-CG2 4.25Å; L233-V243 HydrophobicContact CB-CG2 4.03Å; L233-V243 HydrophobicContact CD1-CG2 4.38Å; I234-V243 HydrophobicContact CG1-CG2 3.97Å; P239-V243 PolarHBondContact O-N 3.16Å; L240-V243 HydrophobicContact CD2-CG1 4.45Å; V243-I247 VanDerWaalsContact O-CG1 3.26Å; V243-I247 WeakPolarHBondContact O-CG1 3.44Å; V243-I247 PolarHBondContact O-N 2.96Å
244N93.6Very high94.9Very high73 Ų7351.1 Ų51.139%0.3927%0.273SS..Hα-helixtrans-72.1-46.2177.1-66.1-40.7000110.4K230 I242 L246 I247 E248K230-N244 WeakPolarHBondContact CE-OD1 3.39Å; K230-N244 PolarHBondContact NZ-OD1 3.3Å; I242-N244 VanDerWaalsContact C-N 3.28Å; I242-N244 PolarHBondContact O-N 2.92Å; N244-L246 VanDerWaalsContact C-N 3.34Å; N244-L246 PolarHBondContact O-N 3.5Å; N244-I247 PolarHBondContact O-N 3.29Å; N244-E248 WeakPolarHBondContact O-CG 3.13Å; N244-E248 PolarHBondContact O-N 3.08Å
245D95.9Very high95Very high70 Ų7048.3 Ų48.337%0.37426%0.257SS..Hα-helixtrans-61.6-43.2-179.7-54.9-17.4000110.8I242 I247 E248 N249 P304I242-D245 PolarHBondContact O-N 3.14Å; D245-I247 VanDerWaalsContact C-N 3.27Å; D245-I247 PolarHBondContact O-N 3.33Å; D245-E248 PolarHBondContact O-N 3.05Å; D245-N249 VanDerWaalsContact O-CB 3.26Å; D245-N249 WeakPolarHBondContact O-CB 3.38Å; D245-N249 PolarHBondContact O-N 3.07Å; D245-N249 PolarHBondContact O-ND2 3.13Å; D245-N249 PolarHBondContact O-OD1 3.03Å; D245-P304 HydrophobicContact CB-CG 4.08Å
246L97.6Very high95Very high0 Ų043.5 Ų43.50%023%0.232CC..Hα-helixtrans-58-37.8174.2-73.2-178000112.9W202 L233 I242 N244 N249 A250 V287 M289 P304 V307W202-L246 HydrophobicContact CH2-CD1 3.84Å; W202-L246 HydrophobicContact CZ3-CD1 4.11Å; L233-L246 HydrophobicContact CD1-CB 4.4Å; I242-L246 HydrophobicContact CD1-CD1 3.99Å; I242-L246 HydrophobicContact CG1-CD1 4.3Å; I242-L246 WeakPolarHBondContact O-CG 3.28Å; I242-L246 PolarHBondContact O-N 3.27Å; N244-L246 VanDerWaalsContact C-N 3.34Å; N244-L246 PolarHBondContact O-N 3.5Å; L246-N249 CarbonylContact O-C 3.56Å; L246-N249 PolarHBondContact O-N 3.32Å; L246-A250 PolarHBondContact O-N 2.99Å; L246-V287 HydrophobicContact CD1-CG1 4.37Å; L246-V287 HydrophobicContact CD2-CG1 4.31Å; L246-M289 HydrophobicContact CD1-SD 4.47Å; L246-M289 HydrophobicContact CD2-SD 4.12Å; L246-P304 HydrophobicContact CD2-CG 4.23Å; L246-P304 HydrophobicContact CG-CG 4.41Å; L246-V307 HydrophobicContact CB-CG2 3.94Å; L246-V307 VanDerWaalsContact O-CG2 3.25Å; L246-V307 WeakPolarHBondContact O-CG2 3.2Å
247I97.8Very high95Very high14 Ų1449.9 Ų49.97%0.07226%0.259CS..Hα-helixtrans-77.6-35179-67.8-67.3000111.7Q226 I229 K230 L233 V243 N244 D245 N249 A250Q226-I247 HydrophobicContact CB-CG2 4Å; Q226-I247 HydrophobicContact CG-CG2 4.4Å; I229-I247 HydrophobicContact CB-CD1 4.07Å; I229-I247 HydrophobicContact CG2-CD1 3.81Å; K230-I247 HydrophobicContact CB-CD1 3.84Å; K230-I247 HydrophobicContact CB-CG1 3.78Å; K230-I247 HydrophobicContact CG-CG1 4.03Å; L233-I247 HydrophobicContact CD1-CD1 3.82Å; L233-I247 HydrophobicContact CD1-CG1 4.16Å; V243-I247 VanDerWaalsContact O-CG1 3.26Å; V243-I247 WeakPolarHBondContact O-CG1 3.44Å; V243-I247 PolarHBondContact O-N 2.96Å; N244-I247 PolarHBondContact O-N 3.29Å; D245-I247 VanDerWaalsContact C-N 3.27Å; D245-I247 PolarHBondContact O-N 3.33Å; I247-N249 PolarHBondContact O-N 3.27Å; I247-A250 WeakPolarHBondContact O-CB 3.25Å; I247-A250 PolarHBondContact O-N 3.37Å; I247-A250 VanDerWaalsContact O-N 3.13Å
248E96Very high95.1Very high102 Ų10247.5 Ų47.548%0.47724%0.235SC..Hα-helixtrans-61.8-39.3169.6-71.5-174.3-172.800110.7N244 D245 A250 N254N244-E248 WeakPolarHBondContact O-CG 3.13Å; N244-E248 PolarHBondContact O-N 3.08Å; D245-E248 PolarHBondContact O-N 3.05Å; E248-A250 PolarHBondContact O-N 3.01Å; E248-N254 WeakPolarHBondContact O-CB 3.34Å; E248-N254 PolarHBondContact O-ND2 3.11Å
249N97.6Very high95.1Very high15 Ų1547.2 Ų47.28%0.0823%0.233CC..THydrogen-bonded Turntrans-778175.4-65-8.5000113.6D245 L246 I247 H251 W255 L302 G305 L306D245-N249 VanDerWaalsContact O-CB 3.26Å; D245-N249 WeakPolarHBondContact O-CB 3.38Å; D245-N249 PolarHBondContact O-N 3.07Å; D245-N249 PolarHBondContact O-ND2 3.13Å; D245-N249 PolarHBondContact O-OD1 3.03Å; L246-N249 CarbonylContact O-C 3.56Å; L246-N249 PolarHBondContact O-N 3.32Å; I247-N249 PolarHBondContact O-N 3.27Å; N249-H251 VanDerWaalsContact C-N 3.33Å; N249-W255 PolarHBondContact O-NE1 3.44Å; N249-L302 HydrophobicContact CB-CD2 4.24Å; N249-L302 VanDerWaalsContact CG-CD2 3.41Å; N249-L302 WeakPolarHBondContact ND2-CD2 3.29Å; N249-L302 WeakPolarHBondContact OD1-CD2 3.46Å; N249-G305 WeakPolarHBondContact CB-O 3.46Å; N249-G305 PolarHBondContact ND2-O 3.2Å; N249-L306 HydrophobicContact CB-CD2 4.1Å
250A97.4Very high95.1Very high0 Ų048.1 Ų48.10%024%0.241CC..THydrogen-bonded Turntrans-84.7-6.3173.600000113.7P221 L246 I247 E248 V307 I309P221-A250 WeakPolarHBondContact CG-O 3.39Å; L246-A250 PolarHBondContact O-N 2.99Å; I247-A250 WeakPolarHBondContact O-CB 3.25Å; I247-A250 PolarHBondContact O-N 3.37Å; I247-A250 VanDerWaalsContact O-N 3.13Å; E248-A250 PolarHBondContact O-N 3.01Å; A250-V307 WeakPolarHBondContact CA-O 3.47Å; A250-V307 HydrophobicContact CB-CB 3.82Å; A250-V307 HydrophobicContact CB-CG1 3.95Å; A250-I309 HydrophobicContact CB-CD1 4.45Å
251H97.4Very high95.4Very high35 Ų3545.1 Ų45.116%0.16223%0.228CC..SBendtrans-123.7140.8-172.3-169.8-47.4000110.8S219 P221 N249 R253 N254 W255S219-H251 PolarHBondContact O-ND1 3.43Å; P221-H251 HydrophobicContact CG-CB 4.44Å; N249-H251 VanDerWaalsContact C-N 3.33Å; H251-R253 HydrophobicContact CB-CG 4.17Å; H251-R253 PolarHBondContact ND1-N 3.48Å; H251-R253 PolarHBondContact O-N 3.16Å; H251-N254 PolarHBondContact O-N 2.84Å; H251-W255 PolarHBondContact O-N 2.81Å
252E96.1Very high95.7Very high57 Ų5747.9 Ų47.927%0.26624%0.239SC..G310 helixtrans-55.6-22.5-176.168.5-178-16700115.9S219 T220 N254 W255 R265S219-E252 WeakPolarHBondContact CB-OE2 3.43Å; S219-E252 WeakPolarHBondContact O-CG 3.37Å; S219-E252 PolarHBondContact O-N 3.47Å; S219-E252 PolarHBondContact OG-OE2 3.3Å; T220-E252 HydrophobicContact CG2-CG 4.01Å; T220-E252 WeakPolarHBondContact CG2-OE1 3.49Å; E252-N254 PolarHBondContact O-N 2.88Å; E252-W255 HydrophobicContact CB-CD2 4.18Å; E252-W255 HydrophobicContact CB-CE3 3.63Å; E252-W255 HydrophobicContact CB-CZ3 4.03Å; E252-W255 PolarHBondContact O-N 3.2Å; E252-R265 IonicContact OE2-CZ 3.27Å; E252-R265 IonicContact OE2-NH1 2.72Å; E252-R265 PolarHBondContact OE2-NH1 3.09Å; E252-R265 VanDerWaalsContact OE2-NH1 3.1Å; E252-R265 IonicContact OE2-NH2 2.83Å; E252-R265 PolarHBondContact OE2-NH2 3.28Å
253R95.4Very high95.8Very high164 Ų16454.7 Ų54.762%0.61927%0.27SS*.G310 helixtrans-62.1-24.4175.669.7-174.7-176.7-177.6-1.4113H251H251-R253 HydrophobicContact CB-CG 4.17Å; H251-R253 PolarHBondContact ND1-N 3.48Å; H251-R253 PolarHBondContact O-N 3.16Å
254N95.9Very high95.8Very high59 Ų5955.9 Ų55.932%0.31628%0.277SS..G310 helixtrans-116.44.3-178.6-66.6-27.6000111.7E248 H251 E252 L302E248-N254 WeakPolarHBondContact O-CB 3.34Å; E248-N254 PolarHBondContact O-ND2 3.11Å; H251-N254 PolarHBondContact O-N 2.84Å; E252-N254 PolarHBondContact O-N 2.88Å; N254-L302 WeakPolarHBondContact O-CD2 3.21Å
255W96.7Very high96Very high15 Ų1553.9 Ų53.96%0.05726%0.264CS..SBendtrans-76.6151.6178.6-77.6-10000112M217 S219 N249 H251 E252 L259M217-W255 HydrophobicContact CG-CH2 3.85Å; M217-W255 HydrophobicContact SD-CH2 3.32Å; M217-W255 WeakPolarHBondContact SD-CH2 3.35Å; M217-W255 HydrophobicContact SD-CZ2 4.2Å; M217-W255 HydrophobicContact SD-CZ3 3.68Å; S219-W255 VanDerWaalsContact CB-CZ3 3.48Å; N249-W255 PolarHBondContact O-NE1 3.44Å; H251-W255 PolarHBondContact O-N 2.81Å; E252-W255 HydrophobicContact CB-CD2 4.18Å; E252-W255 HydrophobicContact CB-CE3 3.63Å; E252-W255 HydrophobicContact CB-CZ3 4.03Å; E252-W255 PolarHBondContact O-N 3.2Å; W255-L259 HydrophobicContact CB-CB 3.9Å; W255-L259 HydrophobicContact CD2-CB 4.19Å; W255-L259 HydrophobicContact CE3-CB 3.96Å; W255-L259 HydrophobicContact CG-CB 4.22Å
256P96.3Very high95.9Very high16 Ų1656.8 Ų56.810%0.10428%0.276CS..  trans-69.216517634.7-39.6000110.3G258 L259 A260 D299 L306P256-G258 PolarHBondContact O-N 2.61Å; P256-G258 VanDerWaalsContact O-N 3.08Å; P256-L259 HydrophobicContact CG-CD1 4.05Å; P256-L259 PolarHBondContact O-N 2.95Å; P256-A260 PolarHBondContact O-N 3.14Å; P256-D299 CarbonylContact C-O 3.45Å; P256-D299 VanDerWaalsContact CB-O 3.26Å; P256-D299 WeakPolarHBondContact CB-O 3.43Å; P256-L306 HydrophobicContact CG-CD1 4.17Å
257Q95Very high95.8Very high161 Ų16163.7 Ų63.775%0.75231%0.31SS*.Hα-helixtrans-56.2-34.9-167.6-66.6-176.31.700113.3L259 T264 D299Q257-L259 PolarHBondContact O-N 3.29Å; Q257-L259 VanDerWaalsContact O-N 3.13Å; Q257-T264 WeakPolarHBondContact O-CG2 3.49Å; Q257-D299 HydrophobicContact CB-CB 4.43Å; Q257-D299 PolarHBondContact N-O 2.89Å
258G95.1Very high95.7Very high1 Ų164.3 Ų64.31%0.0131%0.313CS..Hα-helixtrans-66.6-6.3177.500000115.5P256 T264 N268 Y272 D299P256-G258 PolarHBondContact O-N 2.61Å; P256-G258 VanDerWaalsContact O-N 3.08Å; G258-T264 WeakPolarHBondContact O-CG2 3.38Å; G258-N268 PolarHBondContact O-ND2 3.13Å; G258-Y272 PolarHBondContact O-OH 2.82Å; G258-D299 VanDerWaalsContact CA-O 3.31Å; G258-D299 WeakPolarHBondContact CA-O 3.43Å; G258-D299 PolarHBondContact N-O 3.31Å
259L95.9Very high95.5Very high0 Ų066.1 Ų66.10%032%0.316CS..Hα-helixtrans-130.6-18-179.7-76.1161.6000113.7M217 W255 P256 Q257 T261 R265 Y272 Y275 L306 M308M217-L259 HydrophobicContact CE-CD2 4.43Å; W255-L259 HydrophobicContact CB-CB 3.9Å; W255-L259 HydrophobicContact CD2-CB 4.19Å; W255-L259 HydrophobicContact CE3-CB 3.96Å; W255-L259 HydrophobicContact CG-CB 4.22Å; P256-L259 HydrophobicContact CG-CD1 4.05Å; P256-L259 PolarHBondContact O-N 2.95Å; Q257-L259 PolarHBondContact O-N 3.29Å; Q257-L259 VanDerWaalsContact O-N 3.13Å; L259-T261 VanDerWaalsContact C-N 3.34Å; L259-T261 PolarHBondContact O-N 2.93Å; L259-R265 WeakPolarHBondContact O-CD 3.46Å; L259-R265 VanDerWaalsContact O-CG 3.3Å; L259-R265 WeakPolarHBondContact O-CG 3.44Å; L259-R265 PolarHBondContact O-NH1 2.97Å; L259-Y272 HydrophobicContact CD2-CD1 4.28Å; L259-Y272 HydrophobicContact CD2-CE1 3.49Å; L259-Y272 VanDerWaalsContact CD2-CE1 3.49Å; L259-Y272 HydrophobicContact CD2-CE2 4.19Å; L259-Y272 VanDerWaalsContact CD2-CZ 3.43Å; L259-Y272 WeakPolarHBondContact CD2-OH 3.41Å; L259-Y272 HydrophobicContact CG-CE1 4.08Å; L259-Y275 WeakPolarHBondContact CD1-OH 3.36Å; L259-L306 HydrophobicContact CD1-CD1 3.63Å; L259-M308 HydrophobicContact CD1-CE 3.58Å; L259-M308 HydrophobicContact CD2-CE 4.12Å
260A92.5Very high95.3Very high32 Ų3275.6 Ų75.626%0.26435%0.35SS..Hα-helixtrans-59.5-36.3-165.800000114.7P256 R265P256-A260 PolarHBondContact O-N 3.14Å; A260-R265 PolarHBondContact O-NH1 2.76Å
261T94.9Very high95.3Very high66 Ų6679.7 Ų79.741%0.40537%0.366SS..SBendtrans-115.7156.5-175.483.10000112.8L259 E263 T264 R265L259-T261 VanDerWaalsContact C-N 3.34Å; L259-T261 PolarHBondContact O-N 2.93Å; T261-E263 VanDerWaalsContact C-N 3.29Å; T261-E263 PolarHBondContact O-N 2.77Å; T261-T264 PolarHBondContact O-N 3.49Å; T261-T264 PolarHBondContact OG1-N 2.92Å; T261-T264 VanDerWaalsContact OG1-N 3.1Å; T261-T264 PolarHBondContact OG1-OG1 2.86Å; T261-R265 WeakPolarHBondContact O-CG 3.35Å; T261-R265 PolarHBondContact O-N 3.47Å
262L94.4Very high95.2Very high110 Ų11078.2 Ų78.258%0.57636%0.359SS*.Hα-helixtrans-58.9-40.5175.5179.762.9000112.3R265 Q266L262-R265 PolarHBondContact O-N 3.44Å; L262-Q266 WeakPolarHBondContact O-CG 3.18Å; L262-Q266 PolarHBondContact O-N 3.34Å
263E95.6Very high95.2Very high155 Ų15582 Ų8272%0.72438%0.377SS*.Hα-helixtrans-63-48.1178.5-175.8175.3-172.200110.8T261 R265 Q266 M267T261-E263 VanDerWaalsContact C-N 3.29Å; T261-E263 PolarHBondContact O-N 2.77Å; E263-R265 VanDerWaalsContact C-N 3.27Å; E263-R265 PolarHBondContact O-N 3Å; E263-Q266 PolarHBondContact O-N 2.94Å; E263-Q266 VanDerWaalsContact O-N 3.15Å; E263-M267 PolarHBondContact O-N 3.19Å
264T95.6Very high95.2Very high29 Ų2978.2 Ų78.218%0.17837%0.369CS..Hα-helixtrans-59.7-40.6175.7-42.40000111.3Q257 G258 T261 Q266 M267 N268Q257-T264 WeakPolarHBondContact O-CG2 3.49Å; G258-T264 WeakPolarHBondContact O-CG2 3.38Å; T261-T264 PolarHBondContact O-N 3.49Å; T261-T264 PolarHBondContact OG1-N 2.92Å; T261-T264 VanDerWaalsContact OG1-N 3.1Å; T261-T264 PolarHBondContact OG1-OG1 2.86Å; T264-Q266 VanDerWaalsContact C-N 3.34Å; T264-Q266 PolarHBondContact O-N 3.04Å; T264-M267 HydrophobicContact CG2-CE 4.37Å; T264-M267 PolarHBondContact O-N 3.09Å; T264-N268 WeakPolarHBondContact O-CB 3.4Å; T264-N268 PolarHBondContact O-N 3.18Å
265R96.2Very high95.3Very high30 Ų3076.3 Ų76.311%0.11336%0.358CS..Hα-helixtrans-64.3-35.1177.1-69.9-172.6-61.9-95.610.3114.2S219 E252 L259 A260 T261 L262 E263 R269 Y272S219-R265 PolarHBondContact OG-NH2 3.24Å; E252-R265 IonicContact OE2-CZ 3.27Å; E252-R265 IonicContact OE2-NH1 2.72Å; E252-R265 PolarHBondContact OE2-NH1 3.09Å; E252-R265 VanDerWaalsContact OE2-NH1 3.1Å; E252-R265 IonicContact OE2-NH2 2.83Å; E252-R265 PolarHBondContact OE2-NH2 3.28Å; L259-R265 WeakPolarHBondContact O-CD 3.46Å; L259-R265 VanDerWaalsContact O-CG 3.3Å; L259-R265 WeakPolarHBondContact O-CG 3.44Å; L259-R265 PolarHBondContact O-NH1 2.97Å; A260-R265 PolarHBondContact O-NH1 2.76Å; T261-R265 WeakPolarHBondContact O-CG 3.35Å; T261-R265 PolarHBondContact O-N 3.47Å; L262-R265 PolarHBondContact O-N 3.44Å; E263-R265 VanDerWaalsContact C-N 3.27Å; E263-R265 PolarHBondContact O-N 3Å; R265-R269 PolarHBondContact O-N 3.09Å; R265-Y272 VanDerWaalsContact CA-OH 3.24Å; R265-Y272 WeakPolarHBondContact CA-OH 3.34Å; R265-Y272 HydrophobicContact CB-CE2 4.38Å; R265-Y272 WeakPolarHBondContact CG-OH 3.41Å
266Q93.6Very high95.3Very high132 Ų13278.3 Ų78.362%0.61737%0.371SS*.Hα-helixtrans-70.6-41.8174.7-71.5178.59.200111.3L262 E263 T264 R269L262-Q266 WeakPolarHBondContact O-CG 3.18Å; L262-Q266 PolarHBondContact O-N 3.34Å; E263-Q266 PolarHBondContact O-N 2.94Å; E263-Q266 VanDerWaalsContact O-N 3.15Å; T264-Q266 VanDerWaalsContact C-N 3.34Å; T264-Q266 PolarHBondContact O-N 3.04Å; Q266-R269 WeakPolarHBondContact O-CB 3.32Å
267M95.8Very high95.4Very high144 Ų14477.9 Ų77.971%0.70937%0.369SS*.Hα-helixtrans-64.6-46.1178.3-174.417467.600112.1E263 T264 R269E263-M267 PolarHBondContact O-N 3.19Å; T264-M267 HydrophobicContact CG2-CE 4.37Å; T264-M267 PolarHBondContact O-N 3.09Å; M267-R269 VanDerWaalsContact C-N 3.31Å; M267-R269 PolarHBondContact O-N 3.26Å
268N96Very high95.5Very high27 Ų2771.2 Ų71.214%0.14434%0.338CS..THydrogen-bonded Turntrans-875.2-175.8-71.6-12.8000114G258 T264 R270 Y271 Y272G258-N268 PolarHBondContact O-ND2 3.13Å; T264-N268 WeakPolarHBondContact O-CB 3.4Å; T264-N268 PolarHBondContact O-N 3.18Å; N268-R270 VanDerWaalsContact C-N 3.27Å; N268-R270 PolarHBondContact O-N 2.94Å; N268-R270 VanDerWaalsContact O-N 3.09Å; N268-Y271 WeakPolarHBondContact O-CA 3.06Å; N268-Y271 WeakPolarHBondContact O-CB 3.29Å; N268-Y271 PolarHBondContact O-N 2.86Å; N268-Y272 HydrophobicContact CB-CD1 4.4Å; N268-Y272 HydrophobicContact CB-CE1 3.66Å; N268-Y272 HydrophobicContact CB-CE2 4.35Å; N268-Y272 PolarHBondContact O-N 2.82Å; N268-Y272 VanDerWaalsContact O-N 3.17Å
269R93.2Very high95.7Very high140 Ų14073.1 Ų73.153%0.52835%0.345SS..THydrogen-bonded Turntrans-50.4-42.4-173.1-179.7177.7174.8170.60.1114.3W214 R265 Q266 M267W214-R269 HydrophobicContact CB-CG 4.25Å; R265-R269 PolarHBondContact O-N 3.09Å; Q266-R269 WeakPolarHBondContact O-CB 3.32Å; M267-R269 VanDerWaalsContact C-N 3.31Å; M267-R269 PolarHBondContact O-N 3.26Å
270R92.9Very high95.7Very high214 Ų21473.1 Ų73.181%0.80835%0.345SS*.THydrogen-bonded Turntrans-75-29.8178.3-68.4-174.5179.8-179.80.3112.1N268 Y272 E273N268-R270 VanDerWaalsContact C-N 3.27Å; N268-R270 PolarHBondContact O-N 2.94Å; N268-R270 VanDerWaalsContact O-N 3.09Å; R270-Y272 VanDerWaalsContact C-N 3.28Å; R270-Y272 PolarHBondContact O-N 3.33Å; R270-E273 WeakPolarHBondContact O-CB 3.33Å; R270-E273 PolarHBondContact O-N 3.47Å
271Y96.1Very high95.9Very high87 Ų8775 Ų7534%0.34135%0.354SS..G310 helixtrans-70.8-28.3-178.5-167.3-132.1000111.9N268 E273 N274 M296 M300N268-Y271 WeakPolarHBondContact O-CA 3.06Å; N268-Y271 WeakPolarHBondContact O-CB 3.29Å; N268-Y271 PolarHBondContact O-N 2.86Å; Y271-E273 PolarHBondContact O-N 3.22Å; Y271-N274 WeakPolarHBondContact CD2-ND2 3.49Å; Y271-N274 WeakPolarHBondContact CE2-ND2 3.41Å; Y271-N274 WeakPolarHBondContact O-CB 3.33Å; Y271-N274 PolarHBondContact O-N 3.13Å; Y271-N274 VanDerWaalsContact O-N 3.09Å; Y271-N274 PolarHBondContact O-ND2 2.87Å; Y271-M296 HydrophobicContact CD1-CE 4.19Å; Y271-M296 HydrophobicContact CE1-CE 3.92Å; Y271-M300 HydrophobicContact CD1-CE 3.41Å; Y271-M300 VanDerWaalsContact CD1-CE 3.41Å; Y271-M300 HydrophobicContact CD1-CG 4.24Å; Y271-M300 HydrophobicContact CD1-SD 4.08Å; Y271-M300 HydrophobicContact CE1-CE 3.89Å; Y271-M300 HydrophobicContact CE1-CG 3.85Å; Y271-M300 HydrophobicContact CE1-SD 4.3Å; Y271-M300 HydrophobicContact CG-CE 4.4Å
272Y96.6Very high95.9Very high3 Ų375 Ų751%0.01237%0.367CS..G310 helixtrans-60.9-23.4174.8-57.3-31.2000114.3W214 G258 L259 R265 N268 R270 N274 Y275 M300W214-Y272 HydrophobicContact CB-CD2 4.42Å; W214-Y272 HydrophobicContact CD2-CD2 4.19Å; W214-Y272 HydrophobicContact CD2-CG 4.3Å; W214-Y272 AromaticContact CE3-CD2 3.94Å; W214-Y272 HydrophobicContact CE3-CD2 3.94Å; W214-Y272 HydrophobicContact CE3-CG 4.05Å; W214-Y272 HydrophobicContact CG-CD2 4.41Å; W214-Y272 WeakPolarHBondContact CH2-O 3.37Å; W214-Y272 VanDerWaalsContact CZ2-C 3.49Å; W214-Y272 WeakPolarHBondContact CZ2-O 3.24Å; W214-Y272 HydrophobicContact CZ3-CG 4.31Å; G258-Y272 PolarHBondContact O-OH 2.82Å; L259-Y272 HydrophobicContact CD2-CD1 4.28Å; L259-Y272 HydrophobicContact CD2-CE1 3.49Å; L259-Y272 VanDerWaalsContact CD2-CE1 3.49Å; L259-Y272 HydrophobicContact CD2-CE2 4.19Å; L259-Y272 VanDerWaalsContact CD2-CZ 3.43Å; L259-Y272 WeakPolarHBondContact CD2-OH 3.41Å; L259-Y272 HydrophobicContact CG-CE1 4.08Å; R265-Y272 VanDerWaalsContact CA-OH 3.24Å; R265-Y272 WeakPolarHBondContact CA-OH 3.34Å; R265-Y272 HydrophobicContact CB-CE2 4.38Å; R265-Y272 WeakPolarHBondContact CG-OH 3.41Å; N268-Y272 HydrophobicContact CB-CD1 4.4Å; N268-Y272 HydrophobicContact CB-CE1 3.66Å; N268-Y272 HydrophobicContact CB-CE2 4.35Å; N268-Y272 PolarHBondContact O-N 2.82Å; N268-Y272 VanDerWaalsContact O-N 3.17Å; R270-Y272 VanDerWaalsContact C-N 3.28Å; R270-Y272 PolarHBondContact O-N 3.33Å; Y272-N274 PolarHBondContact O-N 2.99Å; Y272-N274 VanDerWaalsContact O-N 3.1Å; Y272-Y275 HydrophobicContact CD1-CD2 4.22Å; Y272-Y275 AromaticContact CD1-CE2 3.53Å; Y272-Y275 HydrophobicContact CD1-CE2 3.53Å; Y272-Y275 HydrophobicContact CE1-CE2 4.27Å; Y272-Y275 HydrophobicContact CG-CE2 4.2Å; Y272-Y275 WeakPolarHBondContact O-CB 3.3Å; Y272-Y275 VanDerWaalsContact O-CD2 3.31Å; Y272-Y275 WeakPolarHBondContact O-CD2 3.44Å; Y272-Y275 PolarHBondContact O-N 3.27Å; Y272-M300 HydrophobicContact CD1-CE 3.42Å; Y272-M300 VanDerWaalsContact CD1-CE 3.42Å; Y272-M300 HydrophobicContact CE1-CE 3.31Å; Y272-M300 HydrophobicContact CE1-SD 4.23Å
273E94.7Very high96Very high138 Ų13872.8 Ų72.865%0.64535%0.353SS*.G310 helixtrans-62.3-17.1175.5-63.3177.6-171.700112.8R270 Y271R270-E273 WeakPolarHBondContact O-CB 3.33Å; R270-E273 PolarHBondContact O-N 3.47Å; Y271-E273 PolarHBondContact O-N 3.22Å
274N96.8Very high96.1Very high84 Ų8468.4 Ų68.445%0.44933%0.332SS..G310 helixtrans-84.5-5.7176.8-59.8-45.1000113.9Y271 Y272 H295 M296Y271-N274 WeakPolarHBondContact CD2-ND2 3.49Å; Y271-N274 WeakPolarHBondContact CE2-ND2 3.41Å; Y271-N274 WeakPolarHBondContact O-CB 3.33Å; Y271-N274 PolarHBondContact O-N 3.13Å; Y271-N274 VanDerWaalsContact O-N 3.09Å; Y271-N274 PolarHBondContact O-ND2 2.87Å; Y272-N274 PolarHBondContact O-N 2.99Å; Y272-N274 VanDerWaalsContact O-N 3.1Å; N274-H295 PolarHBondContact O-NE2 3.13Å; N274-M296 HydrophobicContact CB-CE 4.22Å; N274-M296 HydrophobicContact CB-SD 3.64Å
275Y97.9Very high96.3Very high18 Ų1867 Ų677%0.07132%0.324CS..  trans-66.8135.9176.3-79.2-58.1000111.7W214 L259 Y272 A277 V288 M296 M300 M308W214-Y275 AromaticContact CH2-CD2 3.87Å; W214-Y275 HydrophobicContact CH2-CD2 3.87Å; W214-Y275 HydrophobicContact CZ3-CD2 4.32Å; L259-Y275 WeakPolarHBondContact CD1-OH 3.36Å; Y272-Y275 HydrophobicContact CD1-CD2 4.22Å; Y272-Y275 AromaticContact CD1-CE2 3.53Å; Y272-Y275 HydrophobicContact CD1-CE2 3.53Å; Y272-Y275 HydrophobicContact CE1-CE2 4.27Å; Y272-Y275 HydrophobicContact CG-CE2 4.2Å; Y272-Y275 WeakPolarHBondContact O-CB 3.3Å; Y272-Y275 VanDerWaalsContact O-CD2 3.31Å; Y272-Y275 WeakPolarHBondContact O-CD2 3.44Å; Y272-Y275 PolarHBondContact O-N 3.27Å; Y275-A277 PolarHBondContact O-N 3.23Å; Y275-V288 HydrophobicContact CD1-CG1 3.38Å; Y275-V288 HydrophobicContact CE1-CG1 3.74Å; Y275-V288 HydrophobicContact CG-CG1 4.04Å; Y275-V288 HydrophobicContact CG-CG2 4.42Å; Y275-M296 HydrophobicContact CD1-CE 3.75Å; Y275-M296 HydrophobicContact CD1-CG 3.91Å; Y275-M296 HydrophobicContact CD1-SD 4.32Å; Y275-M296 HydrophobicContact CD2-CE 4.34Å; Y275-M296 HydrophobicContact CE1-CE 3.69Å; Y275-M296 HydrophobicContact CE1-CG 4.05Å; Y275-M296 HydrophobicContact CE2-CE 4.29Å; Y275-M296 HydrophobicContact CG-CE 4.09Å; Y275-M300 HydrophobicContact CE1-CB 4.44Å; Y275-M300 WeakPolarHBondContact CE1-O 3.3Å; Y275-M300 HydrophobicContact CE2-CE 4.1Å; Y275-M300 WeakPolarHBondContact OH-CE 3.45Å; Y275-M300 PolarHBondContact OH-O 3.49Å; Y275-M308 HydrophobicContact CD2-CE 4.38Å; Y275-M308 HydrophobicContact CE2-CE 3.81Å
276V97.3Very high96.4Very high57 Ų5765.6 Ų65.635%0.34532%0.318SS..  trans-83.6109.1162.3-179.80000107.3E292 N293V276-E292 HydrophobicContact CB-CB 4.36Å; V276-E292 HydrophobicContact CG1-CB 4.1Å; V276-N293 PolarHBondContact N-OD1 3.06Å; V276-N293 PolarHBondContact O-ND2 3.43Å
277A97.5Very high96.6Very high7 Ų759.3 Ų59.36%0.05829%0.289CS..EExtended strand (participates in β ladder)trans-116.5138.7-174.600000111.2A209 Y275 V286 V288A209-A277 HydrophobicContact CB-CB 4.29Å; A209-A277 PolarHBondContact N-O 2.83Å; Y275-A277 PolarHBondContact O-N 3.23Å; A277-V286 HydrophobicContact CB-CB 4.02Å; A277-V286 HydrophobicContact CB-CG1 4.3Å; A277-V286 HydrophobicContact CB-CG2 4.09Å; A277-V288 HydrophobicContact CB-CG2 4.3Å
278K97.8Very high96.7Very high22 Ų2252.6 Ų52.610%0.09626%0.256CS..EExtended strand (participates in β ladder)trans-108.9139.6172.9-58.4-68.7177.6160.50110.3V203 M206 Q207 V286 V287 E292V203-K278 HydrophobicContact CG1-CG 4.32Å; M206-K278 HydrophobicContact CB-CB 3.82Å; M206-K278 HydrophobicContact CB-CD 4.18Å; M206-K278 HydrophobicContact CB-CG 4.16Å; M206-K278 HydrophobicContact CE-CB 4.15Å; M206-K278 HydrophobicContact SD-CB 4.08Å; Q207-K278 CarbonylContact O-C 3.58Å; Q207-K278 WeakPolarHBondContact O-CA 3.21Å; K278-V286 CarbonylContact O-C 3.48Å; K278-V286 WeakPolarHBondContact O-CA 3.33Å; K278-V286 WeakPolarHBondContact O-CB 3.4Å; K278-V287 PolarHBondContact N-O 3.45Å; K278-V287 PolarHBondContact O-N 2.96Å; K278-E292 WeakPolarHBondContact CE-OE1 3.37Å; K278-E292 WeakPolarHBondContact CE-OE2 3.24Å; K278-E292 IonicContact NZ-OE1 2.74Å; K278-E292 PolarHBondContact NZ-OE1 3.47Å; K278-E292 IonicContact NZ-OE2 3.62Å
279R97.6Very high96.8Very high41 Ų4151.4 Ų51.416%0.15525%0.249CC..EExtended strand (participates in β ladder)trans-80130.1-175.3-174154.5-174.1-120.1-4.8111.5M206 Q207 A209 P281 K283 V314 E316M206-R279 WeakPolarHBondContact CE-O 3.41Å; Q207-R279 PolarHBondContact O-N 3.02Å; A209-R279 HydrophobicContact CB-CB 3.88Å; R279-P281 WeakPolarHBondContact O-CD 3.32Å; R279-K283 PolarHBondContact NE-O 3.01Å; R279-K283 PolarHBondContact NH2-O 2.74Å; R279-V314 HydrophobicContact CG-CG1 4.34Å; R279-E316 IonicContact CZ-OE1 3.4Å; R279-E316 IonicContact NH1-OE1 3.1Å; R279-E316 PolarHBondContact NH1-OE1 3.42Å
280I97.6Very high96.8Very high0 Ų044.8 Ų44.80%023%0.225CC..PPolyproline II helixtrans-75.2120.5167.6-58.5-177.9000108.6I229 L233 G282 K283 A285 V287 V307I229-I280 HydrophobicContact CG2-CD1 3.66Å; L233-I280 HydrophobicContact CD2-CD1 3.77Å; L233-I280 HydrophobicContact CD2-CG1 3.99Å; L233-I280 HydrophobicContact CG-CD1 4.23Å; I280-G282 PolarHBondContact O-N 3.34Å; I280-K283 HydrophobicContact CB-CB 4.23Å; I280-K283 HydrophobicContact CG2-CB 4.11Å; I280-K283 HydrophobicContact CG2-CG 3.9Å; I280-K283 PolarHBondContact O-N 3.08Å; I280-K283 VanDerWaalsContact O-N 3.1Å; I280-A285 HydrophobicContact CB-CB 4.3Å; I280-A285 HydrophobicContact CD1-CB 3.85Å; I280-A285 HydrophobicContact CG1-CB 4.34Å; I280-A285 PolarHBondContact N-O 2.9Å; I280-V287 HydrophobicContact CD1-CG2 3.85Å; I280-V287 HydrophobicContact CG1-CG2 3.69Å; I280-V307 HydrophobicContact CD1-CG1 4.09Å
281P96Very high96.8Very high71 Ų7135.8 Ų35.846%0.46119%0.194SC..THydrogen-bonded Turntrans-55.4129.5-172.5-28.536000113.3R279 K283R279-P281 WeakPolarHBondContact O-CD 3.32Å; P281-K283 PolarHBondContact O-N 3.26Å
282G94.9Very high96.7Very high65 Ų6533.8 Ų33.867%0.6719%0.188SC*.THydrogen-bonded Turntrans67.112.9177.900000115.1I280I280-G282 PolarHBondContact O-N 3.34Å
283K97.4Very high96.7Very high65 Ų6533.7 Ų33.728%0.28319%0.188SC..SBendtrans-120.9158.9178.3-56-60.4169-157.10111.7V228 I229 S232 R279 I280 P281 A285V228-K283 HydrophobicContact CG1-CD 4.34Å; I229-K283 HydrophobicContact CD1-CB 4.03Å; I229-K283 HydrophobicContact CD1-CD 4.15Å; I229-K283 HydrophobicContact CD1-CG 3.86Å; S232-K283 WeakPolarHBondContact OG-CE 3.39Å; R279-K283 PolarHBondContact NE-O 3.01Å; R279-K283 PolarHBondContact NH2-O 2.74Å; I280-K283 HydrophobicContact CB-CB 4.23Å; I280-K283 HydrophobicContact CG2-CB 4.11Å; I280-K283 HydrophobicContact CG2-CG 3.9Å; I280-K283 PolarHBondContact O-N 3.08Å; I280-K283 VanDerWaalsContact O-N 3.1Å; P281-K283 PolarHBondContact O-N 3.26Å; K283-A285 HydrophobicContact CB-CB 4.14Å; K283-A285 PolarHBondContact O-N 3.01Å
284Q97.7Very high96.7Very high62 Ų6234 Ų3429%0.2919%0.19SC..SBendtrans-90.563.2164-72.6-66.9-61.700107.9F310 H312 V314Q284-F310 WeakPolarHBondContact CB-O 3.46Å; Q284-F310 PolarHBondContact O-N 3.33Å; Q284-H312 VanDerWaalsContact OE1-C 3.25Å; Q284-H312 VanDerWaalsContact OE1-CA 3.3Å; Q284-V314 PolarHBondContact NE2-O 3.18Å; Q284-V314 VanDerWaalsContact NE2-O 3.11Å
285A98.2Very high96.6Very high0 Ų035.2 Ų35.20%019%0.192CC..EExtended strand (participates in β ladder)trans-151.4153-178.500000109.9I229 I280 K283 M308 I309I229-A285 HydrophobicContact CD1-CB 3.9Å; I280-A285 HydrophobicContact CB-CB 4.3Å; I280-A285 HydrophobicContact CD1-CB 3.85Å; I280-A285 HydrophobicContact CG1-CB 4.34Å; I280-A285 PolarHBondContact N-O 2.9Å; K283-A285 HydrophobicContact CB-CB 4.14Å; K283-A285 PolarHBondContact O-N 3.01Å; A285-M308 CarbonylContact C-O 3.59Å; A285-M308 WeakPolarHBondContact CA-O 3.39Å; A285-I309 HydrophobicContact CB-CB 4.46Å; A285-I309 HydrophobicContact CB-CG1 4.22Å; A285-I309 HydrophobicContact CB-CG2 4.41Å
286V98.3Very high96.6Very high0 Ų034.8 Ų34.80%019%0.191CC..EExtended strand (participates in β ladder)trans-131.1154.4178.1-57.50000110.8A209 V211 A277 K278 V288 V307 M308 F310 V314A209-V286 HydrophobicContact CB-CG1 3.56Å; V211-V286 HydrophobicContact CG2-CG1 4.04Å; V211-V286 HydrophobicContact CG2-CG2 4.33Å; A277-V286 HydrophobicContact CB-CB 4.02Å; A277-V286 HydrophobicContact CB-CG1 4.3Å; A277-V286 HydrophobicContact CB-CG2 4.09Å; K278-V286 CarbonylContact O-C 3.48Å; K278-V286 WeakPolarHBondContact O-CA 3.33Å; K278-V286 WeakPolarHBondContact O-CB 3.4Å; V286-V288 HydrophobicContact CG2-CG2 4.31Å; V286-V307 WeakPolarHBondContact O-CA 3.47Å; V286-M308 HydrophobicContact CG2-CB 4.02Å; V286-M308 PolarHBondContact N-O 3.33Å; V286-M308 PolarHBondContact O-N 3.06Å; V286-F310 HydrophobicContact CG2-CE2 4.06Å; V286-V314 HydrophobicContact CG1-CG1 3.58Å; V286-V314 HydrophobicContact CG1-CG2 4.28Å
287V98.1Very high96.4Very high0 Ų033.1 Ų33.10%019%0.185CC..EExtended strand (participates in β ladder)trans-103134.4166.3-170.90000108.1W202 M206 L233 L246 K278 I280 M289 L306 V307W202-V287 HydrophobicContact CH2-CG1 4.32Å; W202-V287 HydrophobicContact CH2-CG2 4.33Å; M206-V287 HydrophobicContact CE-CG2 4.32Å; L233-V287 HydrophobicContact CD2-CG2 3.67Å; L246-V287 HydrophobicContact CD1-CG1 4.37Å; L246-V287 HydrophobicContact CD2-CG1 4.31Å; K278-V287 PolarHBondContact N-O 3.45Å; K278-V287 PolarHBondContact O-N 2.96Å; I280-V287 HydrophobicContact CD1-CG2 3.85Å; I280-V287 HydrophobicContact CG1-CG2 3.69Å; V287-M289 HydrophobicContact CG1-CG 3.82Å; V287-M289 HydrophobicContact CG1-SD 3.37Å; V287-M289 WeakPolarHBondContact CG1-SD 3.27Å; V287-L306 WeakPolarHBondContact CA-O 2.88Å; V287-V307 HydrophobicContact CG2-CG2 4.47Å
288V97.9Very high96.1Very high3 Ų341.4 Ų41.42%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-11898.1173.6178.50000106.7Y275 A277 V286 N293 G305 L306 M308Y275-V288 HydrophobicContact CD1-CG1 3.38Å; Y275-V288 HydrophobicContact CE1-CG1 3.74Å; Y275-V288 HydrophobicContact CG-CG1 4.04Å; Y275-V288 HydrophobicContact CG-CG2 4.42Å; A277-V288 HydrophobicContact CB-CG2 4.3Å; V286-V288 HydrophobicContact CG2-CG2 4.31Å; V288-N293 HydrophobicContact CG1-CB 4.36Å; V288-N293 WeakPolarHBondContact CG1-ND2 3.46Å; V288-G305 CarbonylContact O-C 3.52Å; V288-G305 VanDerWaalsContact O-CA 3.23Å; V288-G305 WeakPolarHBondContact O-CA 3.19Å; V288-L306 HydrophobicContact CB-CB 4.38Å; V288-L306 PolarHBondContact N-O 2.8Å; V288-L306 PolarHBondContact O-N 3.02Å; V288-M308 HydrophobicContact CG2-CE 4.2Å; V288-M308 HydrophobicContact CG2-SD 4.41Å
289M97.5Very high95.9Very high2 Ų244 Ų441%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-82.1137.9-175.6-65.3-61.3-6400111I199 W202 V203 I242 L246 V287 C291 E292 N293 P304I199-M289 HydrophobicContact CG2-CE 3.56Å; W202-M289 HydrophobicContact CZ3-CE 4.31Å; W202-M289 HydrophobicContact CZ3-SD 4Å; V203-M289 HydrophobicContact CG1-CG 4.39Å; V203-M289 HydrophobicContact CG2-CB 4.46Å; V203-M289 HydrophobicContact CG2-CE 4.18Å; V203-M289 HydrophobicContact CG2-CG 3.63Å; V203-M289 HydrophobicContact CG2-SD 4.36Å; I242-M289 HydrophobicContact CD1-CE 3.98Å; L246-M289 HydrophobicContact CD1-SD 4.47Å; L246-M289 HydrophobicContact CD2-SD 4.12Å; V287-M289 HydrophobicContact CG1-CG 3.82Å; V287-M289 HydrophobicContact CG1-SD 3.37Å; V287-M289 WeakPolarHBondContact CG1-SD 3.27Å; M289-C291 VanDerWaalsContact C-N 3.26Å; M289-C291 PolarHBondContact O-N 3Å; M289-E292 PolarHBondContact O-N 2.82Å; M289-N293 WeakPolarHBondContact O-CB 3.32Å; M289-N293 PolarHBondContact O-N 3.41Å; M289-N293 PolarHBondContact O-ND2 2.97Å; M289-P304 VanDerWaalsContact CE-O 3.3Å; M289-P304 WeakPolarHBondContact CE-O 3.27Å
290A94.8Very high95.8Very high2 Ų242 Ų422%0.01723%0.23CC..G310 helixtrans-60.6-38.6179.700000111.7E292 N293 Q294 E303 P304A290-E292 VanDerWaalsContact C-N 3.28Å; A290-E292 PolarHBondContact O-N 3.05Å; A290-N293 PolarHBondContact O-N 3.43Å; A290-Q294 PolarHBondContact O-N 2.93Å; A290-E303 VanDerWaalsContact CB-CD 3.5Å; A290-E303 HydrophobicContact CB-CG 4.39Å; A290-E303 VanDerWaalsContact CB-OE1 3.28Å; A290-E303 WeakPolarHBondContact CB-OE1 3.45Å; A290-P304 PolarHBondContact N-O 3.07Å
291C91.8Very high95.7Very high24 Ų2443.7 Ų43.716%0.16224%0.239CC..G310 helixtrans-61.7-28.3178.761.70000114.6Y196 M289Y196-C291 HydrophobicContact CE2-CB 4.01Å; M289-C291 VanDerWaalsContact C-N 3.26Å; M289-C291 PolarHBondContact O-N 3Å
292E95.1Very high95.6Very high46 Ų4643 Ų4322%0.21523%0.231CC..G310 helixtrans-96-4.3176-72.6-170.8128.400113.2V203 V276 K278 M289 A290V203-E292 HydrophobicContact CG1-CG 4.04Å; V203-E292 WeakPolarHBondContact CG1-OE2 3.03Å; V276-E292 HydrophobicContact CB-CB 4.36Å; V276-E292 HydrophobicContact CG1-CB 4.1Å; K278-E292 WeakPolarHBondContact CE-OE1 3.37Å; K278-E292 WeakPolarHBondContact CE-OE2 3.24Å; K278-E292 IonicContact NZ-OE1 2.74Å; K278-E292 PolarHBondContact NZ-OE1 3.47Å; K278-E292 IonicContact NZ-OE2 3.62Å; M289-E292 PolarHBondContact O-N 2.82Å; A290-E292 VanDerWaalsContact C-N 3.28Å; A290-E292 PolarHBondContact O-N 3.05Å
293N96.6Very high95.4Very high0 Ų046.4 Ų46.40%023%0.229CC..  trans-123.624.3-172.5-71.7-87000113.9V276 V288 M289 A290 H295 M296 I301V276-N293 PolarHBondContact N-OD1 3.06Å; V276-N293 PolarHBondContact O-ND2 3.43Å; V288-N293 HydrophobicContact CG1-CB 4.36Å; V288-N293 WeakPolarHBondContact CG1-ND2 3.46Å; M289-N293 WeakPolarHBondContact O-CB 3.32Å; M289-N293 PolarHBondContact O-N 3.41Å; M289-N293 PolarHBondContact O-ND2 2.97Å; A290-N293 PolarHBondContact O-N 3.43Å; N293-H295 PolarHBondContact O-N 2.91Å; N293-H295 VanDerWaalsContact O-N 3.08Å; N293-M296 HydrophobicContact CB-CG 4.09Å; N293-M296 WeakPolarHBondContact O-CB 3.31Å; N293-M296 PolarHBondContact O-N 3.22Å; N293-I301 HydrophobicContact CB-CG2 3.88Å
294Q93.6Very high95.2Very high146 Ų14644.1 Ų44.168%0.68222%0.221SC*.THydrogen-bonded Turntrans-61.5-15.5177.2-62.8179.8-3.900113.8A290 M296A290-Q294 PolarHBondContact O-N 2.93Å; Q294-M296 VanDerWaalsContact C-N 3.33Å
295H95.6Very high95.2Very high109 Ų10941.2 Ų41.251%0.50521%0.207SC..THydrogen-bonded Turntrans-78.7-15.9173.363.4-73.5000113.7N274 N293N274-H295 PolarHBondContact O-NE2 3.13Å; N293-H295 PolarHBondContact O-N 2.91Å; N293-H295 VanDerWaalsContact O-N 3.08Å
296M97.3Very high95.1Very high9 Ų941.2 Ų41.24%0.04421%0.208CC..SBendtrans-80.5156174.8-60.2-64.6-72.100109.9Y271 N274 Y275 N293 Q294 M300 I301Y271-M296 HydrophobicContact CD1-CE 4.19Å; Y271-M296 HydrophobicContact CE1-CE 3.92Å; N274-M296 HydrophobicContact CB-CE 4.22Å; N274-M296 HydrophobicContact CB-SD 3.64Å; Y275-M296 HydrophobicContact CD1-CE 3.75Å; Y275-M296 HydrophobicContact CD1-CG 3.91Å; Y275-M296 HydrophobicContact CD1-SD 4.32Å; Y275-M296 HydrophobicContact CD2-CE 4.34Å; Y275-M296 HydrophobicContact CE1-CE 3.69Å; Y275-M296 HydrophobicContact CE1-CG 4.05Å; Y275-M296 HydrophobicContact CE2-CE 4.29Å; Y275-M296 HydrophobicContact CG-CE 4.09Å; N293-M296 HydrophobicContact CB-CG 4.09Å; N293-M296 WeakPolarHBondContact O-CB 3.31Å; N293-M296 PolarHBondContact O-N 3.22Å; Q294-M296 VanDerWaalsContact C-N 3.33Å; M296-M300 HydrophobicContact CB-CB 4.26Å; M296-M300 HydrophobicContact CE-CB 4.45Å; M296-M300 HydrophobicContact CE-CE 3.96Å; M296-I301 HydrophobicContact CB-CG2 3.81Å
297G92.7Very high95.1Very high22 Ų2241.2 Ų41.223%0.22721%0.208CC..  trans-60.3151.3174.700000113D299 M300 I301G297-D299 PolarHBondContact O-N 3.49Å; G297-D299 VanDerWaalsContact O-N 3.16Å; G297-M300 WeakPolarHBondContact O-CA 3.39Å; G297-M300 VanDerWaalsContact O-CB 3.32Å; G297-M300 WeakPolarHBondContact O-CB 3.49Å; G297-M300 PolarHBondContact O-N 3.39Å; G297-I301 PolarHBondContact O-N 3.21Å
298E91.3Very high95.2Very high181 Ų18141.2 Ų41.285%0.84621%0.208SC*.THydrogen-bonded Turntrans-59-26.6177.9-67.1-176.6173.400112.7M300E298-M300 PolarHBondContact O-N 3.28Å
299D94.3Very high95.2Very high75 Ų7541.3 Ų41.340%0.40121%0.208SC..THydrogen-bonded Turntrans-76.9-2.2175.167.7-45.7000113.8P256 Q257 G258 G297P256-D299 CarbonylContact C-O 3.45Å; P256-D299 VanDerWaalsContact CB-O 3.26Å; P256-D299 WeakPolarHBondContact CB-O 3.43Å; Q257-D299 HydrophobicContact CB-CB 4.43Å; Q257-D299 PolarHBondContact N-O 2.89Å; G258-D299 VanDerWaalsContact CA-O 3.31Å; G258-D299 WeakPolarHBondContact CA-O 3.43Å; G258-D299 PolarHBondContact N-O 3.31Å; G297-D299 PolarHBondContact O-N 3.49Å; G297-D299 VanDerWaalsContact O-N 3.16Å
300M95.9Very high95.2Very high0 Ų041.5 Ų41.50%021%0.209CC..THydrogen-bonded Turntrans-116.9-10.9-175.9-61.2-74.3-6700113Y271 Y272 Y275 M296 G297 E298Y271-M300 HydrophobicContact CD1-CE 3.41Å; Y271-M300 VanDerWaalsContact CD1-CE 3.41Å; Y271-M300 HydrophobicContact CD1-CG 4.24Å; Y271-M300 HydrophobicContact CD1-SD 4.08Å; Y271-M300 HydrophobicContact CE1-CE 3.89Å; Y271-M300 HydrophobicContact CE1-CG 3.85Å; Y271-M300 HydrophobicContact CE1-SD 4.3Å; Y271-M300 HydrophobicContact CG-CE 4.4Å; Y272-M300 HydrophobicContact CD1-CE 3.42Å; Y272-M300 VanDerWaalsContact CD1-CE 3.42Å; Y272-M300 HydrophobicContact CE1-CE 3.31Å; Y272-M300 HydrophobicContact CE1-SD 4.23Å; Y275-M300 HydrophobicContact CE1-CB 4.44Å; Y275-M300 WeakPolarHBondContact CE1-O 3.3Å; Y275-M300 HydrophobicContact CE2-CE 4.1Å; Y275-M300 WeakPolarHBondContact OH-CE 3.45Å; Y275-M300 PolarHBondContact OH-O 3.49Å; M296-M300 HydrophobicContact CB-CB 4.26Å; M296-M300 HydrophobicContact CE-CB 4.45Å; M296-M300 HydrophobicContact CE-CE 3.96Å; G297-M300 WeakPolarHBondContact O-CA 3.39Å; G297-M300 VanDerWaalsContact O-CB 3.32Å; G297-M300 WeakPolarHBondContact O-CB 3.49Å; G297-M300 PolarHBondContact O-N 3.39Å; E298-M300 PolarHBondContact O-N 3.28Å
301I95Very high95.2Very high36 Ų3644.6 Ų44.619%0.18523%0.234CC..  trans-119159.6179.761.6173.6000110.4N293 M296 G297N293-I301 HydrophobicContact CB-CG2 3.88Å; M296-I301 HydrophobicContact CB-CG2 3.81Å; G297-I301 PolarHBondContact O-N 3.21Å
302L94Very high95.4Very high55 Ų5547.5 Ų47.529%0.28825%0.245SC..  trans-149.6136.9175.8-17362.8000108.5N249 N254 P304 G305 L306N249-L302 HydrophobicContact CB-CD2 4.24Å; N249-L302 VanDerWaalsContact CG-CD2 3.41Å; N249-L302 WeakPolarHBondContact ND2-CD2 3.29Å; N249-L302 WeakPolarHBondContact OD1-CD2 3.46Å; N254-L302 WeakPolarHBondContact O-CD2 3.21Å; L302-P304 CarbonylContact O-C 3.57Å; L302-G305 CarbonylContact O-C 3.56Å; L302-G305 WeakPolarHBondContact O-CA 3.47Å; L302-G305 PolarHBondContact O-N 3.42Å; L302-L306 HydrophobicContact CB-CD2 3.61Å; L302-L306 HydrophobicContact CB-CG 4.13Å; L302-L306 HydrophobicContact CD2-CD2 3.89Å; L302-L306 HydrophobicContact CG-CD2 4.39Å
303E90.8Very high95.3Very high137 Ų13745.9 Ų45.964%0.6424%0.241SC*.SBendtrans-75.9141174.5-71-65.3163.200110.9A290 G305A290-E303 VanDerWaalsContact CB-CD 3.5Å; A290-E303 HydrophobicContact CB-CG 4.39Å; A290-E303 VanDerWaalsContact CB-OE1 3.28Å; A290-E303 WeakPolarHBondContact CB-OE1 3.45Å; E303-G305 VanDerWaalsContact C-N 3.33Å
304P93.8Very high95.3Very high18 Ų1846.1 Ų46.112%0.11724%0.243CC..SBendcis-78.5-15.2-7.231-32.6000113.3I242 D245 L246 M289 A290 L302I242-P304 HydrophobicContact CB-CB 4.2Å; I242-P304 HydrophobicContact CB-CG 3.73Å; I242-P304 HydrophobicContact CG2-CB 3.88Å; I242-P304 HydrophobicContact CG2-CG 3.84Å; D245-P304 HydrophobicContact CB-CG 4.08Å; L246-P304 HydrophobicContact CD2-CG 4.23Å; L246-P304 HydrophobicContact CG-CG 4.41Å; M289-P304 VanDerWaalsContact CE-O 3.3Å; M289-P304 WeakPolarHBondContact CE-O 3.27Å; A290-P304 PolarHBondContact N-O 3.07Å; L302-P304 CarbonylContact O-C 3.57Å
305G96.8Very high95.4Very high0 Ų043 Ų430%023%0.228CC..EExtended strand (participates in β ladder)trans176.3-178.2177.300000111.9N249 V288 L302 E303N249-G305 WeakPolarHBondContact CB-O 3.46Å; N249-G305 PolarHBondContact ND2-O 3.2Å; V288-G305 CarbonylContact O-C 3.52Å; V288-G305 VanDerWaalsContact O-CA 3.23Å; V288-G305 WeakPolarHBondContact O-CA 3.19Å; L302-G305 CarbonylContact O-C 3.56Å; L302-G305 WeakPolarHBondContact O-CA 3.47Å; L302-G305 PolarHBondContact O-N 3.42Å; E303-G305 VanDerWaalsContact C-N 3.33Å
306L97.2Very high95.1Very high1 Ų142.6 Ų42.61%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-117.1148.4176.7-60.5170000110.4N249 P256 L259 V287 V288 L302 M308N249-L306 HydrophobicContact CB-CD2 4.1Å; P256-L306 HydrophobicContact CG-CD1 4.17Å; L259-L306 HydrophobicContact CD1-CD1 3.63Å; V287-L306 WeakPolarHBondContact CA-O 2.88Å; V288-L306 HydrophobicContact CB-CB 4.38Å; V288-L306 PolarHBondContact N-O 2.8Å; V288-L306 PolarHBondContact O-N 3.02Å; L302-L306 HydrophobicContact CB-CD2 3.61Å; L302-L306 HydrophobicContact CB-CG 4.13Å; L302-L306 HydrophobicContact CD2-CD2 3.89Å; L302-L306 HydrophobicContact CG-CD2 4.39Å; L306-M308 HydrophobicContact CB-CE 4.35Å; L306-M308 HydrophobicContact CD1-CE 3.95Å
307V98.3Very high94.4Very high0 Ų046.6 Ų46.60%025%0.247CC..EExtended strand (participates in β ladder)trans-111.3127.1167.3171.80000108.4I229 L233 L246 A250 I280 V286 V287 I309I229-V307 HydrophobicContact CG2-CG1 3.93Å; L233-V307 HydrophobicContact CD1-CG2 4.26Å; L246-V307 HydrophobicContact CB-CG2 3.94Å; L246-V307 VanDerWaalsContact O-CG2 3.25Å; L246-V307 WeakPolarHBondContact O-CG2 3.2Å; A250-V307 WeakPolarHBondContact CA-O 3.47Å; A250-V307 HydrophobicContact CB-CB 3.82Å; A250-V307 HydrophobicContact CB-CG1 3.95Å; I280-V307 HydrophobicContact CD1-CG1 4.09Å; V286-V307 WeakPolarHBondContact O-CA 3.47Å; V287-V307 HydrophobicContact CG2-CG2 4.47Å; V307-I309 HydrophobicContact CG1-CG1 4.09Å
308M98.2Very high92.9Very high0 Ų056.5 Ų56.50%029%0.294CS..EExtended strand (participates in β ladder)trans-118.3121.6176.8-61-179.2-169.300109.3W214 M217 L259 Y275 A285 V286 V288 L306 F310W214-M308 HydrophobicContact CZ3-SD 3.81Å; M217-M308 HydrophobicContact CE-CB 4.45Å; M217-M308 HydrophobicContact CE-CG 4.3Å; M217-M308 HydrophobicContact CE-SD 3.64Å; L259-M308 HydrophobicContact CD1-CE 3.58Å; L259-M308 HydrophobicContact CD2-CE 4.12Å; Y275-M308 HydrophobicContact CD2-CE 4.38Å; Y275-M308 HydrophobicContact CE2-CE 3.81Å; A285-M308 CarbonylContact C-O 3.59Å; A285-M308 WeakPolarHBondContact CA-O 3.39Å; V286-M308 HydrophobicContact CG2-CB 4.02Å; V286-M308 PolarHBondContact N-O 3.33Å; V286-M308 PolarHBondContact O-N 3.06Å; V288-M308 HydrophobicContact CG2-CE 4.2Å; V288-M308 HydrophobicContact CG2-SD 4.41Å; L306-M308 HydrophobicContact CB-CE 4.35Å; L306-M308 HydrophobicContact CD1-CE 3.95Å; M308-F310 HydrophobicContact CB-CE2 3.58Å; M308-F310 HydrophobicContact CB-CZ 3.85Å; M308-F310 WeakPolarHBondContact O-CE2 3.32Å
309I98.3Very high93Very high5 Ų550.3 Ų50.33%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-105.5138.7-177.6-50.4168.3000108.3M217 I218 P221 L225 I229 A250 A285 V307M217-I309 WeakPolarHBondContact CA-O 3.41Å; I218-I309 HydrophobicContact CB-CB 4.49Å; I218-I309 HydrophobicContact CD1-CG2 4.23Å; I218-I309 PolarHBondContact N-O 2.71Å; P221-I309 HydrophobicContact CB-CD1 3.81Å; P221-I309 HydrophobicContact CG-CD1 4.04Å; L225-I309 HydrophobicContact CD1-CG2 4.39Å; L225-I309 HydrophobicContact CD2-CD1 4.4Å; L225-I309 HydrophobicContact CD2-CG2 4.16Å; L225-I309 HydrophobicContact CG-CD1 4.18Å; L225-I309 HydrophobicContact CG-CG2 4.47Å; I229-I309 HydrophobicContact CG1-CD1 3.76Å; I229-I309 HydrophobicContact CG1-CG1 4.13Å; A250-I309 HydrophobicContact CB-CD1 4.45Å; A285-I309 HydrophobicContact CB-CB 4.46Å; A285-I309 HydrophobicContact CB-CG1 4.22Å; A285-I309 HydrophobicContact CB-CG2 4.41Å; V307-I309 HydrophobicContact CG1-CG1 4.09Å
310F98.1Very high92.9Very high5 Ų549 Ų492%0.02226%0.259CS..EExtended strand (participates in β ladder)trans-128.2149.5-176.7-60.9-92.4000110.4V211 W214 G216 M217 Q284 V286 M308 H312 V314V211-F310 HydrophobicContact CG1-CD1 4.16Å; V211-F310 HydrophobicContact CG1-CE1 3.66Å; V211-F310 HydrophobicContact CG1-CE2 4.23Å; V211-F310 HydrophobicContact CG1-CZ 3.7Å; V211-F310 HydrophobicContact CG2-CE2 4.08Å; V211-F310 HydrophobicContact CG2-CZ 4.15Å; W214-F310 HydrophobicContact CE3-CE1 4.08Å; W214-F310 AromaticContact CE3-CZ 3.92Å; W214-F310 HydrophobicContact CE3-CZ 3.92Å; W214-F310 AromaticContact CZ3-CZ 3.89Å; W214-F310 HydrophobicContact CZ3-CZ 3.89Å; G216-F310 WeakPolarHBondContact O-CA 3.22Å; M217-F310 HydrophobicContact CB-CD1 3.99Å; M217-F310 HydrophobicContact CB-CE1 3.7Å; M217-F310 HydrophobicContact CB-CZ 4.48Å; M217-F310 HydrophobicContact CE-CE1 3.95Å; M217-F310 HydrophobicContact CE-CZ 3.85Å; M217-F310 HydrophobicContact CG-CE1 4.07Å; M217-F310 HydrophobicContact CG-CZ 4.39Å; Q284-F310 WeakPolarHBondContact CB-O 3.46Å; Q284-F310 PolarHBondContact O-N 3.33Å; V286-F310 HydrophobicContact CG2-CE2 4.06Å; M308-F310 HydrophobicContact CB-CE2 3.58Å; M308-F310 HydrophobicContact CB-CZ 3.85Å; M308-F310 WeakPolarHBondContact O-CE2 3.32Å; F310-H312 VanDerWaalsContact C-N 3.31Å; F310-V314 HydrophobicContact CB-CG2 4.06Å; F310-V314 HydrophobicContact CD2-CG2 3.55Å; F310-V314 HydrophobicContact CE2-CG2 4.3Å; F310-V314 HydrophobicContact CG-CG2 4Å
311A95.4Very high92.7Very high67 Ų6751.7 Ų51.755%0.55427%0.273SS*.SBendtrans-68-35.516900000111.6G216G216-A311 PolarHBondContact O-N 2.94Å
312H94.7Very high92.6Very high85 Ų8552.6 Ų52.639%0.39428%0.278SS..SBendtrans-167.6165.1-178.856.7-67.3000110.5R213 Q284 F310R213-H312 WeakPolarHBondContact CD-CD2 3.45Å; R213-H312 VanDerWaalsContact CD-NE2 3.33Å; R213-H312 WeakPolarHBondContact CD-NE2 3.26Å; R213-H312 PolarHBondContact NH1-NE2 3.12Å; Q284-H312 VanDerWaalsContact OE1-C 3.25Å; Q284-H312 VanDerWaalsContact OE1-CA 3.3Å; F310-H312 VanDerWaalsContact C-N 3.31Å
313G93.4Very high92.5Very high12 Ų1252.5 Ų52.512%0.12428%0.278CS..  trans97.215.5172.600000115.6V211 T212V211-G313 CarbonylContact C-O 3.56Å; V211-G313 WeakPolarHBondContact CA-O 3.5Å; T212-G313 PolarHBondContact N-O 3.2Å; T212-G313 WeakPolarHBondContact OG1-CA 3.46Å; T212-G313 PolarHBondContact OG1-O 3.1Å; T212-G313 VanDerWaalsContact OG1-O 3.13Å
314V96.9Very high92.6Very high6 Ų646.9 Ų46.94%0.03625%0.254CS..EExtended strand (participates in β ladder)trans-94.2117.7167-175.80000108.9A209 V211 R279 Q284 V286 F310A209-V314 HydrophobicContact CB-CG1 4.24Å; V211-V314 HydrophobicContact CG2-CG2 4.46Å; R279-V314 HydrophobicContact CG-CG1 4.34Å; Q284-V314 PolarHBondContact NE2-O 3.18Å; Q284-V314 VanDerWaalsContact NE2-O 3.11Å; V286-V314 HydrophobicContact CG1-CG1 3.58Å; V286-V314 HydrophobicContact CG1-CG2 4.28Å; F310-V314 HydrophobicContact CB-CG2 4.06Å; F310-V314 HydrophobicContact CD2-CG2 3.55Å; F310-V314 HydrophobicContact CE2-CG2 4.3Å; F310-V314 HydrophobicContact CG-CG2 4Å
315E94.8Very high92.5Very high80 Ų8048.9 Ų48.937%0.37426%0.263SS..EExtended strand (participates in β ladder)trans-118.4152.2-178.3-67169.5-164.300110.6A209 R210 T212A209-E315 WeakPolarHBondContact CA-O 3Å; R210-E315 IonicContact CZ-OE2 3.51Å; R210-E315 PolarHBondContact N-O 3.3Å; R210-E315 IonicContact NE-OE2 3.64Å; R210-E315 IonicContact NH2-OE2 3.45Å; R210-E315 PolarHBondContact NH2-OE2 2.79Å; R210-E315 PolarHBondContact O-N 3.21Å; T212-E315 HydrophobicContact CG2-CG 4.44Å; T212-E315 WeakPolarHBondContact CG2-OE1 3.38Å; T212-E315 WeakPolarHBondContact CG2-OE2 3.19Å
316E89.1Confident92.2Very high101 Ų10152.7 Ų52.747%0.47228%0.284SS..EExtended strand (participates in β ladder)trans-82.4143.3170.9-71.1173.2-174.900109.9R279R279-E316 IonicContact CZ-OE1 3.4Å; R279-E316 IonicContact NH1-OE1 3.1Å; R279-E316 PolarHBondContact NH1-OE1 3.42Å
317I82.6Confident91.8Very high92 Ų9257 Ų5747%0.47231%0.307SS..  trans-89.6107.8170.9-55.9175.6000106.4P208 R210P208-I317 HydrophobicContact CB-CB 4.36Å; P208-I317 HydrophobicContact CB-CD1 4.12Å; P208-I317 PolarHBondContact O-N 2.97Å; R210-I317 HydrophobicContact CB-CD1 4.16Å; R210-I317 HydrophobicContact CB-CG1 3.89Å
318L61.6Low91.2Very high231 Ų23162.2 Ų62.2100%1.20934%0.335SS*.  trans-71.20170.8-69.7170000111.1

Retrieved 318 of 318 residues in 126 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).