A0A3Q0KLF0_SCHMA Loading...

Nuclear movement protein related

AlphaFold DB , UniProt , Accession A0A3Q0KLF0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 322 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
1M42.7Very low75.8Confident201 Ų201114.4 Ų114.499%0.9960%0.604SS**  0118.50-79.1162.1172.300108.3N3M1-N3 PolarHBondContact O-N 3.17Å; M1-N3 VanDerWaalsContact O-N 3.12Å
2T50.5Low77.3Confident61 Ų61110.8 Ų110.837%0.37459%0.585SS.*  trans-59.4113.4150360000104.3V4 T67T2-V4 PolarHBondContact O-N 3.12Å; T2-T67 HydrophobicContact CG2-CG2 3.93Å
3N56.5Low78.4Confident157 Ų157108.2 Ų108.284%0.8457%0.571SS**  trans-69.584.4-177.4-143.6-15.3000106.1M1 N5M1-N3 PolarHBondContact O-N 3.17Å; M1-N3 VanDerWaalsContact O-N 3.12Å; N3-N5 PolarHBondContact O-N 2.78Å; N3-N5 VanDerWaalsContact O-N 3.14Å
4V68.9Low79.3Confident94 Ų94103.1 Ų103.157%0.5756%0.558SS**  trans-69111.3176.5-177.60000104.8T2 I6T2-V4 PolarHBondContact O-N 3.12Å; V4-I6 PolarHBondContact O-N 2.89Å; V4-I6 VanDerWaalsContact O-N 3.13Å
5N77.6Confident80.3Confident88 Ų88100.5 Ų100.547%0.47154%0.542SS..  trans-75.9103.2-175.7-175.50.4000109.4N3 Q7N3-N5 PolarHBondContact O-N 2.78Å; N3-N5 VanDerWaalsContact O-N 3.14Å; N5-Q7 PolarHBondContact ND2-OE1 3.12Å; N5-Q7 PolarHBondContact O-N 3.2Å; N5-Q7 WeakPolarHBondContact OD1-CB 3.41Å; N5-Q7 PolarHBondContact OD1-N 3.21Å
6I87.6Confident81.1Confident124 Ų12498.1 Ų98.164%0.63653%0.529SS*.G310 helixtrans-75.3-2.9179.762.9170.9000113.9V4 Y8 D9V4-I6 PolarHBondContact O-N 2.89Å; V4-I6 VanDerWaalsContact O-N 3.13Å; I6-Y8 PolarHBondContact O-N 2.94Å; I6-Y8 VanDerWaalsContact O-N 3.13Å; I6-D9 WeakPolarHBondContact CA-OD1 3.32Å; I6-D9 WeakPolarHBondContact CA-OD2 3.21Å; I6-D9 WeakPolarHBondContact CB-OD2 3.47Å; I6-D9 WeakPolarHBondContact CG2-OD2 3.45Å; I6-D9 WeakPolarHBondContact O-CB 3.48Å; I6-D9 PolarHBondContact O-N 2.83Å
7Q89.2Confident81.7Confident130 Ų13098.7 Ų98.761%0.60753%0.527SS*.G310 helixtrans-56.9-30.7-176.9-178.9-177.910.500113.1N5N5-Q7 PolarHBondContact ND2-OE1 3.12Å; N5-Q7 PolarHBondContact O-N 3.2Å; N5-Q7 WeakPolarHBondContact OD1-CB 3.41Å; N5-Q7 PolarHBondContact OD1-N 3.21Å
8Y90.7Very high82.3Confident129 Ų129100.6 Ų100.651%0.50654%0.537SS..G310 helixtrans-1055.2-174.6-55.7-69.2000113.3I6 N10 A11 L12I6-Y8 PolarHBondContact O-N 2.94Å; I6-Y8 VanDerWaalsContact O-N 3.13Å; Y8-N10 VanDerWaalsContact C-N 3.32Å; Y8-N10 PolarHBondContact O-N 3.19Å; Y8-A11 PolarHBondContact O-N 3.21Å; Y8-A11 VanDerWaalsContact O-N 3.08Å; Y8-L12 WeakPolarHBondContact O-CG 3.28Å; Y8-L12 PolarHBondContact O-N 2.84Å
9D90.2Very high82.8Confident74 Ų7498.4 Ų98.440%0.39652%0.523SS..Hα-helixtrans-59.1-43.2-174-72.92.2000111.4I6 A11 L12 L13I6-D9 WeakPolarHBondContact CA-OD1 3.32Å; I6-D9 WeakPolarHBondContact CA-OD2 3.21Å; I6-D9 WeakPolarHBondContact CB-OD2 3.47Å; I6-D9 WeakPolarHBondContact CG2-OD2 3.45Å; I6-D9 WeakPolarHBondContact O-CB 3.48Å; I6-D9 PolarHBondContact O-N 2.83Å; D9-A11 VanDerWaalsContact C-N 3.32Å; D9-A11 PolarHBondContact O-N 2.87Å; D9-L12 PolarHBondContact O-N 2.94Å; D9-L13 WeakPolarHBondContact O-CB 3.42Å; D9-L13 PolarHBondContact O-N 3.37Å
10N88.7Confident83Confident136 Ų13696.6 Ų96.673%0.72753%0.53SS*.Hα-helixtrans-61.4-39.2177.6-69.6-34.6000112.9Y8 G14Y8-N10 VanDerWaalsContact C-N 3.32Å; Y8-N10 PolarHBondContact O-N 3.19Å; N10-G14 PolarHBondContact O-N 2.75Å; N10-G14 VanDerWaalsContact O-N 3.14Å
11A91.2Very high83.3Confident64 Ų6498.5 Ų98.553%0.52953%0.533SS..Hα-helixtrans-71-41.617900000111.3Y8 D9 I15Y8-A11 PolarHBondContact O-N 3.21Å; Y8-A11 VanDerWaalsContact O-N 3.08Å; D9-A11 VanDerWaalsContact C-N 3.32Å; D9-A11 PolarHBondContact O-N 2.87Å; A11-I15 WeakPolarHBondContact O-CG1 3.43Å; A11-I15 PolarHBondContact O-N 2.83Å
12L93.4Very high85.6Confident72 Ų7294.2 Ų94.238%0.37751%0.513SS..Hα-helixtrans-70.6-38.5178.1-66.6173.1000111.9Y8 D9 I15 L16 F25 I29Y8-L12 WeakPolarHBondContact O-CG 3.28Å; Y8-L12 PolarHBondContact O-N 2.84Å; D9-L12 PolarHBondContact O-N 2.94Å; L12-I15 PolarHBondContact O-N 2.9Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 PolarHBondContact O-N 2.88Å; L12-F25 HydrophobicContact CD2-CZ 4.36Å; L12-I29 HydrophobicContact CD2-CD1 4.18Å
13L91.7Very high87.7Confident77 Ų7798.4 Ų98.440%0.40353%0.529SS..Hα-helixtrans-63-42.7177-176.263.5000111D9 I15 L16 Q17D9-L13 WeakPolarHBondContact O-CB 3.42Å; D9-L13 PolarHBondContact O-N 3.37Å; L13-I15 VanDerWaalsContact C-N 3.29Å; L13-I15 PolarHBondContact O-N 2.94Å; L13-L16 PolarHBondContact O-N 2.75Å; L13-Q17 HydrophobicContact CD1-CG 4.29Å; L13-Q17 HydrophobicContact CG-CG 4.35Å; L13-Q17 WeakPolarHBondContact O-CB 3.19Å; L13-Q17 VanDerWaalsContact O-CG 3.31Å; L13-Q17 WeakPolarHBondContact O-CG 3.43Å; L13-Q17 PolarHBondContact O-N 3.09Å
14G91.6Very high89.5Confident37 Ų3793.9 Ų93.938%0.38151%0.505SS..Hα-helixtrans-59.8-38.4175.100000113N10 N18N10-G14 PolarHBondContact O-N 2.75Å; N10-G14 VanDerWaalsContact O-N 3.14Å; G14-N18 WeakPolarHBondContact O-CB 3.46Å; G14-N18 PolarHBondContact O-N 2.69Å; G14-N18 VanDerWaalsContact O-N 3.16Å
15I93.3Very high90.8Very high64 Ų6490.8 Ų90.833%0.32848%0.483SS..Hα-helixtrans-68.1-46.8174-58.9167.3000110.2A11 L12 L13 Q17 N18 E19 F25 V28A11-I15 WeakPolarHBondContact O-CG1 3.43Å; A11-I15 PolarHBondContact O-N 2.83Å; L12-I15 PolarHBondContact O-N 2.9Å; L13-I15 VanDerWaalsContact C-N 3.29Å; L13-I15 PolarHBondContact O-N 2.94Å; I15-Q17 VanDerWaalsContact C-N 3.33Å; I15-Q17 PolarHBondContact O-N 3.01Å; I15-N18 PolarHBondContact O-N 2.82Å; I15-E19 HydrophobicContact CG2-CG 4.29Å; I15-E19 WeakPolarHBondContact O-CG 3.42Å; I15-E19 PolarHBondContact O-N 2.91Å; I15-F25 HydrophobicContact CB-CD2 4.23Å; I15-F25 HydrophobicContact CB-CE2 4.1Å; I15-F25 HydrophobicContact CG2-CD2 3.82Å; I15-F25 HydrophobicContact CG2-CE2 4.04Å; I15-V28 HydrophobicContact CG2-CB 4.41Å; I15-V28 HydrophobicContact CG2-CG1 3.83Å
16L93.5Very high91.6Very high62 Ų6290 Ų9033%0.32548%0.479SS..Hα-helixtrans-60.1-42.2-179.2179.761.7000112.1L12 L13 E19 G20 L22 F25L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 PolarHBondContact O-N 2.88Å; L13-L16 PolarHBondContact O-N 2.75Å; L16-E19 PolarHBondContact O-N 3Å; L16-G20 PolarHBondContact O-N 2.84Å; L16-G20 VanDerWaalsContact O-N 3.08Å; L16-L22 HydrophobicContact CD1-CD1 4.42Å; L16-F25 HydrophobicContact CB-CD2 3.76Å; L16-F25 HydrophobicContact CB-CE2 4.07Å; L16-F25 HydrophobicContact CB-CG 4.23Å; L16-F25 HydrophobicContact CD1-CB 3.53Å; L16-F25 HydrophobicContact CD1-CD1 4.1Å; L16-F25 HydrophobicContact CD1-CD2 4.06Å; L16-F25 HydrophobicContact CD1-CG 3.63Å
17Q91.7Very high92Very high108 Ų10889.4 Ų89.451%0.50548%0.477SS..Hα-helixtrans-63.2-44175.6-74.4174.8-3300111.6L13 I15 E19 G20L13-Q17 HydrophobicContact CD1-CG 4.29Å; L13-Q17 HydrophobicContact CG-CG 4.35Å; L13-Q17 WeakPolarHBondContact O-CB 3.19Å; L13-Q17 VanDerWaalsContact O-CG 3.31Å; L13-Q17 WeakPolarHBondContact O-CG 3.43Å; L13-Q17 PolarHBondContact O-N 3.09Å; I15-Q17 VanDerWaalsContact C-N 3.33Å; I15-Q17 PolarHBondContact O-N 3.01Å; Q17-E19 PolarHBondContact O-N 3.45Å; Q17-G20 PolarHBondContact O-N 3.07Å
18N92.1Very high92.3Very high132 Ų13285.3 Ų85.371%0.70646%0.461SS*.Hα-helixtrans-64.6-39.6178.8-175.376.5000112.9G14 I15 G20G14-N18 WeakPolarHBondContact O-CB 3.46Å; G14-N18 PolarHBondContact O-N 2.69Å; G14-N18 VanDerWaalsContact O-N 3.16Å; I15-N18 PolarHBondContact O-N 2.82Å; N18-G20 VanDerWaalsContact C-N 3.33Å
19E92.3Very high92.6Very high59 Ų5981.4 Ų81.428%0.27645%0.448SS..Hα-helixtrans-76.7-20.2179.5-66.5-51.9130.800113.3I15 L16 Q17 K21 N24 F25 V28I15-E19 HydrophobicContact CG2-CG 4.29Å; I15-E19 WeakPolarHBondContact O-CG 3.42Å; I15-E19 PolarHBondContact O-N 2.91Å; L16-E19 PolarHBondContact O-N 3Å; Q17-E19 PolarHBondContact O-N 3.45Å; E19-K21 PolarHBondContact O-N 2.99Å; E19-N24 HydrophobicContact CB-CB 3.82Å; E19-N24 HydrophobicContact CG-CB 4.47Å; E19-N24 PolarHBondContact O-ND2 3.2Å; E19-N24 VanDerWaalsContact O-ND2 3.09Å; E19-F25 HydrophobicContact CB-CB 4.32Å; E19-V28 VanDerWaalsContact CD-CG2 3.43Å; E19-V28 HydrophobicContact CG-CG2 3.69Å
20G86.5Confident92.8Very high63 Ų6381.1 Ų81.165%0.64944%0.443SS*.  trans70.6-26.6173.500000115.8L16 Q17 N18L16-G20 PolarHBondContact O-N 2.84Å; L16-G20 VanDerWaalsContact O-N 3.08Å; Q17-G20 PolarHBondContact O-N 3.07Å; N18-G20 VanDerWaalsContact C-N 3.33Å
21K90.1Very high93.1Very high137 Ų13775.1 Ų75.160%0.59641%0.414SS*.SBendtrans-125.7144.1177.3-66.2-173.3178.2-173.90110.9E19 E23 N24 F25E19-K21 PolarHBondContact O-N 2.99Å; K21-E23 VanDerWaalsContact C-N 3.25Å; K21-E23 PolarHBondContact O-N 3.29Å; K21-N24 HydrophobicContact CB-CB 4.48Å; K21-N24 PolarHBondContact O-N 3.02Å; K21-F25 PolarHBondContact O-N 2.99Å
22L91.1Very high93.4Very high111 Ų11177.1 Ų77.158%0.58141%0.411SS*.Hα-helixtrans-58.1-38.4176.6-17962.6000112.1L16 F25 L26L16-L22 HydrophobicContact CD1-CD1 4.42Å; L22-F25 HydrophobicContact CD1-CD1 4.11Å; L22-F25 PolarHBondContact O-N 2.87Å; L22-L26 HydrophobicContact CD1-CG 4.36Å; L22-L26 HydrophobicContact CG-CD1 4.24Å; L22-L26 HydrophobicContact CG-CG 4.43Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 3.13Å
23E93.7Very high93.4Very high148 Ų14875.7 Ų75.769%0.69240%0.404SS*.Hα-helixtrans-61-48.5178.1-66179.4-177.100111.8K21 F25 L26 D27K21-E23 VanDerWaalsContact C-N 3.25Å; K21-E23 PolarHBondContact O-N 3.29Å; E23-F25 VanDerWaalsContact C-N 3.35Å; E23-F25 PolarHBondContact O-N 3.07Å; E23-L26 WeakPolarHBondContact O-CB 3.31Å; E23-L26 PolarHBondContact O-N 2.75Å; E23-L26 VanDerWaalsContact O-N 3.16Å; E23-D27 PolarHBondContact O-N 3.42Å
24N94.6Very high93.5Very high63 Ų6377 Ų7734%0.33741%0.409SS..Hα-helixtrans-62.3-41.7176.1-64.9-6.3000111.7E19 K21 L26 D27 V28E19-N24 HydrophobicContact CB-CB 3.82Å; E19-N24 HydrophobicContact CG-CB 4.47Å; E19-N24 PolarHBondContact O-ND2 3.2Å; E19-N24 VanDerWaalsContact O-ND2 3.09Å; K21-N24 HydrophobicContact CB-CB 4.48Å; K21-N24 PolarHBondContact O-N 3.02Å; N24-L26 VanDerWaalsContact C-N 3.32Å; N24-L26 PolarHBondContact O-N 2.88Å; N24-D27 WeakPolarHBondContact O-CB 3.38Å; N24-D27 PolarHBondContact O-N 3.4Å; N24-V28 WeakPolarHBondContact O-CG2 3.21Å; N24-V28 PolarHBondContact O-N 2.8Å
25F95.8Very high93.5Very high28 Ų2883.3 Ų83.312%0.12342%0.421CS..Hα-helixtrans-59.1-44.3173.8170.9-98.4000111.7L12 I15 L16 E19 K21 L22 E23 D27 V28 I29L12-F25 HydrophobicContact CD2-CZ 4.36Å; I15-F25 HydrophobicContact CB-CD2 4.23Å; I15-F25 HydrophobicContact CB-CE2 4.1Å; I15-F25 HydrophobicContact CG2-CD2 3.82Å; I15-F25 HydrophobicContact CG2-CE2 4.04Å; L16-F25 HydrophobicContact CB-CD2 3.76Å; L16-F25 HydrophobicContact CB-CE2 4.07Å; L16-F25 HydrophobicContact CB-CG 4.23Å; L16-F25 HydrophobicContact CD1-CB 3.53Å; L16-F25 HydrophobicContact CD1-CD1 4.1Å; L16-F25 HydrophobicContact CD1-CD2 4.06Å; L16-F25 HydrophobicContact CD1-CG 3.63Å; E19-F25 HydrophobicContact CB-CB 4.32Å; K21-F25 PolarHBondContact O-N 2.99Å; L22-F25 HydrophobicContact CD1-CD1 4.11Å; L22-F25 PolarHBondContact O-N 2.87Å; E23-F25 VanDerWaalsContact C-N 3.35Å; E23-F25 PolarHBondContact O-N 3.07Å; F25-D27 VanDerWaalsContact C-N 3.33Å; F25-D27 PolarHBondContact O-N 2.82Å; F25-V28 WeakPolarHBondContact O-CB 3.44Å; F25-V28 PolarHBondContact O-N 2.87Å; F25-I29 HydrophobicContact CD1-CG1 4.28Å; F25-I29 HydrophobicContact CE1-CD1 4.49Å; F25-I29 HydrophobicContact CE1-CG1 3.84Å; F25-I29 HydrophobicContact CE2-CD1 4.1Å; F25-I29 HydrophobicContact CE2-CG1 4.09Å; F25-I29 HydrophobicContact CZ-CD1 3.9Å; F25-I29 HydrophobicContact CZ-CG1 3.74Å; F25-I29 WeakPolarHBondContact O-CG1 3.2Å; F25-I29 PolarHBondContact O-N 3.42Å
26L95.7Very high93.5Very high71 Ų7189.7 Ų89.737%0.37244%0.441SS..Hα-helixtrans-63-39.4175.5-70174.7000111.5L22 E23 N24 V28 I29 F30L22-L26 HydrophobicContact CD1-CG 4.36Å; L22-L26 HydrophobicContact CG-CD1 4.24Å; L22-L26 HydrophobicContact CG-CG 4.43Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 3.13Å; E23-L26 WeakPolarHBondContact O-CB 3.31Å; E23-L26 PolarHBondContact O-N 2.75Å; E23-L26 VanDerWaalsContact O-N 3.16Å; N24-L26 VanDerWaalsContact C-N 3.32Å; N24-L26 PolarHBondContact O-N 2.88Å; L26-V28 VanDerWaalsContact C-N 3.31Å; L26-V28 PolarHBondContact O-N 2.82Å; L26-I29 PolarHBondContact O-N 3.24Å; L26-F30 HydrophobicContact CB-CD2 4.24Å; L26-F30 HydrophobicContact CB-CE2 4.22Å; L26-F30 HydrophobicContact CD2-CE2 4.27Å; L26-F30 WeakPolarHBondContact O-CB 3.45Å; L26-F30 WeakPolarHBondContact O-CD2 3.21Å; L26-F30 PolarHBondContact O-N 2.83Å
27D95.6Very high93.4Very high113 Ų11389.1 Ų89.160%0.60444%0.441SS*.Hα-helixtrans-60.4-39.5173.2-75.1-16.4000112.1E23 N24 F25 G31E23-D27 PolarHBondContact O-N 3.42Å; N24-D27 WeakPolarHBondContact O-CB 3.38Å; N24-D27 PolarHBondContact O-N 3.4Å; F25-D27 VanDerWaalsContact C-N 3.33Å; F25-D27 PolarHBondContact O-N 2.82Å; D27-G31 WeakPolarHBondContact O-CA 3.4Å; D27-G31 PolarHBondContact O-N 2.85Å
28V95.4Very high93.4Very high44 Ų4487 Ų8727%0.26743%0.433SS..Hα-helixtrans-64.3-45.9174.2171.80000111.3I15 E19 N24 F25 L26 G31 F32I15-V28 HydrophobicContact CG2-CB 4.41Å; I15-V28 HydrophobicContact CG2-CG1 3.83Å; E19-V28 VanDerWaalsContact CD-CG2 3.43Å; E19-V28 HydrophobicContact CG-CG2 3.69Å; N24-V28 WeakPolarHBondContact O-CG2 3.21Å; N24-V28 PolarHBondContact O-N 2.8Å; F25-V28 WeakPolarHBondContact O-CB 3.44Å; F25-V28 PolarHBondContact O-N 2.87Å; L26-V28 VanDerWaalsContact C-N 3.31Å; L26-V28 PolarHBondContact O-N 2.82Å; V28-G31 PolarHBondContact O-N 3.04Å; V28-F32 WeakPolarHBondContact O-CB 3.27Å; V28-F32 PolarHBondContact O-N 2.99Å
29I95.8Very high93.4Very high47 Ų4781.8 Ų81.824%0.24140%0.404CS..Hα-helixtrans-64.1-49.4179.4-64.9-61.7000110.9L12 F25 L26 G31 F32 L33L12-I29 HydrophobicContact CD2-CD1 4.18Å; F25-I29 HydrophobicContact CD1-CG1 4.28Å; F25-I29 HydrophobicContact CE1-CD1 4.49Å; F25-I29 HydrophobicContact CE1-CG1 3.84Å; F25-I29 HydrophobicContact CE2-CD1 4.1Å; F25-I29 HydrophobicContact CE2-CG1 4.09Å; F25-I29 HydrophobicContact CZ-CD1 3.9Å; F25-I29 HydrophobicContact CZ-CG1 3.74Å; F25-I29 WeakPolarHBondContact O-CG1 3.2Å; F25-I29 PolarHBondContact O-N 3.42Å; L26-I29 PolarHBondContact O-N 3.24Å; I29-G31 VanDerWaalsContact C-N 3.35Å; I29-F32 WeakPolarHBondContact O-CB 3.23Å; I29-F32 PolarHBondContact O-N 3.42Å; I29-L33 WeakPolarHBondContact O-CG 3.48Å; I29-L33 PolarHBondContact O-N 2.88Å
30F95.7Very high93.4Very high67 Ų6783.7 Ų83.729%0.29441%0.411SS..Hα-helixtrans-68.6-35.4178.5-71.7-58.5000111.9L26 L33 M34 F40 I61L26-F30 HydrophobicContact CB-CD2 4.24Å; L26-F30 HydrophobicContact CB-CE2 4.22Å; L26-F30 HydrophobicContact CD2-CE2 4.27Å; L26-F30 WeakPolarHBondContact O-CB 3.45Å; L26-F30 WeakPolarHBondContact O-CD2 3.21Å; L26-F30 PolarHBondContact O-N 2.83Å; F30-L33 HydrophobicContact CD1-CD1 4.11Å; F30-L33 HydrophobicContact CE1-CD1 4.45Å; F30-L33 PolarHBondContact O-N 2.75Å; F30-M34 WeakPolarHBondContact O-CB 3.32Å; F30-M34 PolarHBondContact O-N 2.64Å; F30-F40 HydrophobicContact CB-CE2 4.47Å; F30-F40 HydrophobicContact CB-CZ 4.15Å; F30-F40 HydrophobicContact CD1-CE2 4.46Å; F30-F40 AromaticContact CD1-CZ 3.95Å; F30-F40 HydrophobicContact CD1-CZ 3.95Å; F30-F40 HydrophobicContact CG-CZ 4.41Å; F30-F40 WeakPolarHBondContact O-CE2 3.23Å; F30-I61 HydrophobicContact CE1-CD1 3.56Å; F30-I61 HydrophobicContact CE1-CG1 4.41Å; F30-I61 HydrophobicContact CZ-CD1 4.16Å
31G95Very high93.5Very high11 Ų1187.2 Ų87.211%0.11341%0.406CS..Hα-helixtrans-63-39.6171.500000112.5D27 V28 I29 M34 R35D27-G31 WeakPolarHBondContact O-CA 3.4Å; D27-G31 PolarHBondContact O-N 2.85Å; V28-G31 PolarHBondContact O-N 3.04Å; I29-G31 VanDerWaalsContact C-N 3.35Å; G31-M34 PolarHBondContact O-N 3.34Å; G31-R35 WeakPolarHBondContact O-CB 3.31Å; G31-R35 WeakPolarHBondContact O-CG 3.33Å; G31-R35 PolarHBondContact O-N 3.01Å; G31-R35 PolarHBondContact O-NH1 2.74Å
32F96.2Very high93.4Very high105 Ų10586.1 Ų86.146%0.46141%0.405SS..Hα-helixtrans-61.6-49.5172.2166.7-93.6000110.9V28 I29 M34 R35 R36V28-F32 WeakPolarHBondContact O-CB 3.27Å; V28-F32 PolarHBondContact O-N 2.99Å; I29-F32 WeakPolarHBondContact O-CB 3.23Å; I29-F32 PolarHBondContact O-N 3.42Å; F32-M34 VanDerWaalsContact C-N 3.32Å; F32-M34 PolarHBondContact O-N 3.08Å; F32-R35 PolarHBondContact O-N 2.92Å; F32-R36 HydrophobicContact CD2-CB 4.15Å; F32-R36 HydrophobicContact CD2-CG 3.79Å; F32-R36 HydrophobicContact CE2-CB 3.85Å; F32-R36 HydrophobicContact CE2-CG 3.69Å; F32-R36 HydrophobicContact CZ-CB 4.07Å; F32-R36 HydrophobicContact CZ-CG 4.42Å; F32-R36 VanDerWaalsContact O-CB 3.31Å; F32-R36 WeakPolarHBondContact O-CB 3.38Å; F32-R36 PolarHBondContact O-N 2.99Å
33L95.1Very high93.1Very high43 Ų4384.2 Ų84.223%0.22539%0.394CS..Hα-helixtrans-58.2-45.3177-68.7176.3000110.9I29 F30 R35 T37 F39 F40I29-L33 WeakPolarHBondContact O-CG 3.48Å; I29-L33 PolarHBondContact O-N 2.88Å; F30-L33 HydrophobicContact CD1-CD1 4.11Å; F30-L33 HydrophobicContact CE1-CD1 4.45Å; F30-L33 PolarHBondContact O-N 2.75Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 2.84Å; L33-T37 HydrophobicContact CD2-CG2 4.05Å; L33-T37 PolarHBondContact O-N 2.86Å; L33-T37 PolarHBondContact O-OG1 2.98Å; L33-F39 HydrophobicContact CB-CB 4.24Å; L33-F39 HydrophobicContact CB-CD1 4.36Å; L33-F39 HydrophobicContact CB-CG 4.45Å; L33-F39 HydrophobicContact CD1-CD1 4.25Å; L33-F39 HydrophobicContact CD1-CG 4.43Å; L33-F40 HydrophobicContact CB-CE2 4.07Å
34M91.8Very high92.5Very high104 Ų10479.6 Ų79.651%0.51238%0.376SS..Hα-helixtrans-59.5-40.3177.3-175.3-175.167.500113.3F30 G31 F32 F40F30-M34 WeakPolarHBondContact O-CB 3.32Å; F30-M34 PolarHBondContact O-N 2.64Å; G31-M34 PolarHBondContact O-N 3.34Å; F32-M34 VanDerWaalsContact C-N 3.32Å; F32-M34 PolarHBondContact O-N 3.08Å; M34-F40 HydrophobicContact CB-CD2 3.7Å; M34-F40 HydrophobicContact CB-CE2 3.99Å; M34-F40 HydrophobicContact CB-CG 4.5Å; M34-F40 HydrophobicContact CG-CD2 4.28Å
35R93.4Very high91.6Very high169 Ų16982 Ų8264%0.63840%0.395SS*.Hα-helixtrans-87-28.1-175.5-67.7-171.5-55-882.3114.2G31 F32 L33G31-R35 WeakPolarHBondContact O-CB 3.31Å; G31-R35 WeakPolarHBondContact O-CG 3.33Å; G31-R35 PolarHBondContact O-N 3.01Å; G31-R35 PolarHBondContact O-NH1 2.74Å; F32-R35 PolarHBondContact O-N 2.92Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 2.84Å
36R93.1Very high90.6Very high198 Ų19888.7 Ų88.775%0.74743%0.427SS*.Hα-helixtrans-116.4-8.5-168.1-63.3-60-136.6178.76114.2F32F32-R36 HydrophobicContact CD2-CB 4.15Å; F32-R36 HydrophobicContact CD2-CG 3.79Å; F32-R36 HydrophobicContact CE2-CB 3.85Å; F32-R36 HydrophobicContact CE2-CG 3.69Å; F32-R36 HydrophobicContact CZ-CB 4.07Å; F32-R36 HydrophobicContact CZ-CG 4.42Å; F32-R36 VanDerWaalsContact O-CB 3.31Å; F32-R36 WeakPolarHBondContact O-CB 3.38Å; F32-R36 PolarHBondContact O-N 2.99Å
37T91.9Very high89.2Confident51 Ų5190.8 Ų90.831%0.31344%0.435SS..SBendtrans-133.1172.7177.478.70000110.4L33 F39L33-T37 HydrophobicContact CD2-CG2 4.05Å; L33-T37 PolarHBondContact O-N 2.86Å; L33-T37 PolarHBondContact O-OG1 2.98Å; T37-F39 WeakPolarHBondContact OG1-CB 3.14Å; T37-F39 PolarHBondContact OG1-N 2.8Å
38D90.8Very high87.9Confident64 Ų6493.6 Ų93.634%0.34244%0.442SS..SBendtrans-88.313.2174.162.8-18.6000112.8F40 Y41 I50 G51D38-F40 VanDerWaalsContact C-N 3.29Å; D38-F40 PolarHBondContact O-N 2.87Å; D38-F40 VanDerWaalsContact O-N 3.15Å; D38-Y41 VanDerWaalsContact CA-CD2 3.5Å; D38-Y41 HydrophobicContact CB-CD2 4.18Å; D38-Y41 WeakPolarHBondContact O-CB 3.33Å; D38-Y41 PolarHBondContact O-N 2.88Å; D38-I50 HydrophobicContact CB-CG2 3.9Å; D38-G51 WeakPolarHBondContact O-CA 3.45Å; D38-G51 PolarHBondContact OD2-N 2.82Å
39F92.8Very high87Confident21 Ų21101 Ų1019%0.09247%0.47CS..THydrogen-bonded Turntrans-57.2-35.7-170.2-175.2-96.2000114.8L33 T37 F52 S57 I61L33-F39 HydrophobicContact CB-CB 4.24Å; L33-F39 HydrophobicContact CB-CD1 4.36Å; L33-F39 HydrophobicContact CB-CG 4.45Å; L33-F39 HydrophobicContact CD1-CD1 4.25Å; L33-F39 HydrophobicContact CD1-CG 4.43Å; T37-F39 WeakPolarHBondContact OG1-CB 3.14Å; T37-F39 PolarHBondContact OG1-N 2.8Å; F39-F52 HydrophobicContact CD2-CE2 4.28Å; F39-S57 WeakPolarHBondContact CZ-O 3.32Å; F39-S57 WeakPolarHBondContact O-CB 3.45Å; F39-S57 PolarHBondContact O-OG 2.76Å; F39-I61 HydrophobicContact CE1-CD1 3.57Å; F39-I61 HydrophobicContact CE1-CG1 4.32Å; F39-I61 HydrophobicContact CE2-CG1 4.49Å; F39-I61 HydrophobicContact CZ-CD1 3.36Å; F39-I61 HydrophobicContact CZ-CG1 3.62Å
40F90.8Very high86.4Confident99 Ų99102.8 Ų102.843%0.43448%0.479SS..THydrogen-bonded Turntrans-96.6-1.4178.5-70.3-85.8000113.8F30 L33 M34 D38F30-F40 HydrophobicContact CB-CE2 4.47Å; F30-F40 HydrophobicContact CB-CZ 4.15Å; F30-F40 HydrophobicContact CD1-CE2 4.46Å; F30-F40 AromaticContact CD1-CZ 3.95Å; F30-F40 HydrophobicContact CD1-CZ 3.95Å; F30-F40 HydrophobicContact CG-CZ 4.41Å; F30-F40 WeakPolarHBondContact O-CE2 3.23Å; L33-F40 HydrophobicContact CB-CE2 4.07Å; M34-F40 HydrophobicContact CB-CD2 3.7Å; M34-F40 HydrophobicContact CB-CE2 3.99Å; M34-F40 HydrophobicContact CB-CG 4.5Å; M34-F40 HydrophobicContact CG-CD2 4.28Å; D38-F40 VanDerWaalsContact C-N 3.29Å; D38-F40 PolarHBondContact O-N 2.87Å; D38-F40 VanDerWaalsContact O-N 3.15Å
41Y89.7Confident86Confident137 Ų137100.3 Ų100.354%0.53747%0.473SS..PPolyproline II helixtrans-77.7127.5178.4-70.7-103.4000109.4D38 I50 G51 F52D38-Y41 VanDerWaalsContact CA-CD2 3.5Å; D38-Y41 HydrophobicContact CB-CD2 4.18Å; D38-Y41 WeakPolarHBondContact O-CB 3.33Å; D38-Y41 PolarHBondContact O-N 2.88Å; Y41-I50 HydrophobicContact CD1-CG2 4.28Å; Y41-I50 HydrophobicContact CG-CG2 4.19Å; Y41-G51 CarbonylContact O-C 3.53Å; Y41-G51 WeakPolarHBondContact O-CA 3.38Å; Y41-F52 PolarHBondContact O-N 2.85Å
42I86.5Confident85.7Confident114 Ų114102.2 Ų102.259%0.58548%0.478SS*.BIsolated β-bridgetrans-85.6120.2174.3-61.2177000107.8T44 F52 P54I42-T44 PolarHBondContact O-N 2.91Å; I42-F52 WeakPolarHBondContact CA-O 3.28Å; I42-P54 HydrophobicContact CG2-CB 4.48Å; I42-P54 HydrophobicContact CG2-CG 3.74Å
43M85.6Confident85.3Confident72 Ų7299.8 Ų99.836%0.35547%0.473SS..PPolyproline II helixtrans-63.4117.1178.6-173.8174.171.200109.9F52 P53M43-F52 PolarHBondContact N-O 3.25Å; M43-P53 HydrophobicContact CE-CG 3.83Å
44T81.2Confident85Confident50 Ų50102.4 Ų102.431%0.30749%0.492SS..PPolyproline II helixtrans-89.8156.7172.965.30000110.7I42 E46 Q47I42-T44 PolarHBondContact O-N 2.91Å; T44-E46 PolarHBondContact O-N 3.22Å; T44-E46 VanDerWaalsContact O-N 3.16Å; T44-Q47 CarbonylContact O-C 3.57Å; T44-Q47 PolarHBondContact O-N 3.23Å; T44-Q47 WeakPolarHBondContact OG1-CB 3.37Å; T44-Q47 PolarHBondContact OG1-N 3.45Å
45P76.1Confident84.9Confident113 Ų11399.5 Ų99.573%0.73449%0.489SS*.THydrogen-bonded Turntrans-56.9-29.8178.7-25.434.9000114
46E74.1Confident84.8Confident170 Ų17093.9 Ų93.979%0.79447%0.474SS*.THydrogen-bonded Turntrans-79.1-26.8178-60112.2-154.200112.9T44T44-E46 PolarHBondContact O-N 3.22Å; T44-E46 VanDerWaalsContact O-N 3.16Å
47Q65.8Low84.7Confident115 Ų11585.5 Ų85.554%0.53745%0.446SS..  trans-115.969.7-172.6-63.7179.7-23.300111.6T44 K49T44-Q47 CarbonylContact O-C 3.57Å; T44-Q47 PolarHBondContact O-N 3.23Å; T44-Q47 WeakPolarHBondContact OG1-CB 3.37Å; T44-Q47 PolarHBondContact OG1-N 3.45Å; Q47-K49 PolarHBondContact O-N 3.05Å
48K68.9Low84.8Confident171 Ų17187.6 Ų87.674%0.74345%0.454SS*.THydrogen-bonded Turntrans-66.82.4-176.8-66.5-174178.3179.30116.6
49K77Confident84.9Confident200 Ų20090.4 Ų90.487%0.8747%0.465SS*.THydrogen-bonded Turntrans-119.1-5.5-170.3-74-169.9178.7-177.10114.8Q47Q47-K49 PolarHBondContact O-N 3.05Å
50I83.4Confident84.9Confident85 Ų8593.3 Ų93.344%0.43648%0.48SS..SBendtrans-128.3125.5-174.9-57.4177.3000108.6D38 Y41D38-I50 HydrophobicContact CB-CG2 3.9Å; Y41-I50 HydrophobicContact CD1-CG2 4.28Å; Y41-I50 HydrophobicContact CG-CG2 4.19Å
51G86.7Confident85Confident15 Ų1591.1 Ų91.116%0.15547%0.472CS..SBendtrans84.2-165.5172.200000114.8D38 Y41D38-G51 WeakPolarHBondContact O-CA 3.45Å; D38-G51 PolarHBondContact OD2-N 2.82Å; Y41-G51 CarbonylContact O-C 3.53Å; Y41-G51 WeakPolarHBondContact O-CA 3.38Å
52F88.5Confident85.3Confident50 Ų5089 Ų8922%0.21947%0.469CS..BIsolated β-bridgetrans-120.1149.6-172.6-67.7-85.7000110.9F39 Y41 I42 M43 V56 M60F39-F52 HydrophobicContact CD2-CE2 4.28Å; Y41-F52 PolarHBondContact O-N 2.85Å; I42-F52 WeakPolarHBondContact CA-O 3.28Å; M43-F52 PolarHBondContact N-O 3.25Å; F52-V56 HydrophobicContact CB-CB 4.21Å; F52-V56 HydrophobicContact CB-CG1 4.48Å; F52-V56 HydrophobicContact CD1-CG1 3.98Å; F52-M60 HydrophobicContact CD1-CE 4.31Å; F52-M60 HydrophobicContact CE1-CE 3.58Å; F52-M60 HydrophobicContact CZ-CE 4.02Å
53P88.3Confident85.6Confident55 Ų5590.3 Ų90.336%0.35747%0.471SS..SBendtrans-54.1152.4167.5-17.826.6000111M43 G55 V56M43-P53 HydrophobicContact CE-CG 3.83Å; P53-G55 PolarHBondContact O-N 3.09Å; P53-V56 HydrophobicContact CB-CG2 3.78Å; P53-V56 HydrophobicContact CG-CG2 3.93Å; P53-V56 WeakPolarHBondContact O-CB 3.25Å; P53-V56 PolarHBondContact O-N 3.49Å
54P88.3Confident86Confident97 Ų9793.5 Ų93.563%0.6348%0.483SS*.THydrogen-bonded Turntrans-48.9125.2178.7-25.231000112.1I42 V56I42-P54 HydrophobicContact CG2-CB 4.48Å; I42-P54 HydrophobicContact CG2-CG 3.74Å; P54-V56 VanDerWaalsContact C-N 3.35Å; P54-V56 PolarHBondContact O-N 3.35Å
55G89.6Confident86.5Confident44 Ų4498 Ų9845%0.45450%0.495SS..THydrogen-bonded Turntrans86.4-14.8177.500000116.3P53 I58 E59P53-G55 PolarHBondContact O-N 3.09Å; G55-I58 WeakPolarHBondContact O-CG2 2.85Å; G55-E59 WeakPolarHBondContact O-CB 3.5Å; G55-E59 PolarHBondContact O-N 3.08Å; G55-E59 VanDerWaalsContact O-N 3.09Å
56V91.8Very high87.3Confident51 Ų5198.9 Ų98.931%0.30949%0.487SS..Hα-helixtrans-71.5-37.4-175.3173.60000112.4F52 P53 P54 E59 M60F52-V56 HydrophobicContact CB-CB 4.21Å; F52-V56 HydrophobicContact CB-CG1 4.48Å; F52-V56 HydrophobicContact CD1-CG1 3.98Å; P53-V56 HydrophobicContact CB-CG2 3.78Å; P53-V56 HydrophobicContact CG-CG2 3.93Å; P53-V56 WeakPolarHBondContact O-CB 3.25Å; P53-V56 PolarHBondContact O-N 3.49Å; P54-V56 VanDerWaalsContact C-N 3.35Å; P54-V56 PolarHBondContact O-N 3.35Å; V56-E59 PolarHBondContact O-N 3.34Å; V56-M60 PolarHBondContact O-N 2.84Å
57S91.5Very high88.1Confident22 Ų2293.5 Ų93.515%0.15447%0.466CS..Hα-helixtrans-64.1-44.117955.20000112.2F39 M60 I61F39-S57 WeakPolarHBondContact CZ-O 3.32Å; F39-S57 WeakPolarHBondContact O-CB 3.45Å; F39-S57 PolarHBondContact O-OG 2.76Å; S57-M60 WeakPolarHBondContact O-CB 3.43Å; S57-M60 PolarHBondContact O-N 3.46Å; S57-I61 PolarHBondContact O-N 3.12Å
58I93.1Very high89.2Confident95 Ų9592.6 Ų92.649%0.48746%0.464SS..Hα-helixtrans-67.5-38.9176-171.972.2000111.7G55 M60 I61 L62G55-I58 WeakPolarHBondContact O-CG2 2.85Å; I58-M60 VanDerWaalsContact C-N 3.26Å; I58-M60 PolarHBondContact O-N 3.17Å; I58-I61 PolarHBondContact O-N 2.89Å; I58-L62 HydrophobicContact CG1-CD1 4.36Å; I58-L62 WeakPolarHBondContact O-CG 3.38Å; I58-L62 PolarHBondContact O-N 2.64Å
59E93.3Very high90.2Very high123 Ų12388.7 Ų88.758%0.57545%0.447SS*.Hα-helixtrans-60.8-37.9174.7-168.3-173.4162.700111.4G55 V56 I61 L62 K63G55-E59 WeakPolarHBondContact O-CB 3.5Å; G55-E59 PolarHBondContact O-N 3.08Å; G55-E59 VanDerWaalsContact O-N 3.09Å; V56-E59 PolarHBondContact O-N 3.34Å; E59-I61 PolarHBondContact O-N 3.05Å; E59-L62 PolarHBondContact O-N 3.23Å; E59-K63 VanDerWaalsContact O-CB 3.29Å; E59-K63 WeakPolarHBondContact O-CB 3.39Å; E59-K63 PolarHBondContact O-N 2.63Å
60M92.8Very high90.7Very high82 Ų8284.2 Ų84.240%0.40443%0.43SS..Hα-helixtrans-60.2-45.7176.2-168.6-176.9-60.700112.1F52 V56 S57 I58 K64F52-M60 HydrophobicContact CD1-CE 4.31Å; F52-M60 HydrophobicContact CE1-CE 3.58Å; F52-M60 HydrophobicContact CZ-CE 4.02Å; V56-M60 PolarHBondContact O-N 2.84Å; S57-M60 WeakPolarHBondContact O-CB 3.43Å; S57-M60 PolarHBondContact O-N 3.46Å; I58-M60 VanDerWaalsContact C-N 3.26Å; I58-M60 PolarHBondContact O-N 3.17Å; M60-K64 WeakPolarHBondContact O-CG 3.37Å; M60-K64 PolarHBondContact O-N 3.17Å
61I93.5Very high90.9Very high52 Ų5280.3 Ų80.327%0.26741%0.41SS..Hα-helixtrans-60.5-51.9175.6-69.7161.8000110.1F30 F39 S57 I58 E59 K63 K64 Y65F30-I61 HydrophobicContact CE1-CD1 3.56Å; F30-I61 HydrophobicContact CE1-CG1 4.41Å; F30-I61 HydrophobicContact CZ-CD1 4.16Å; F39-I61 HydrophobicContact CE1-CD1 3.57Å; F39-I61 HydrophobicContact CE1-CG1 4.32Å; F39-I61 HydrophobicContact CE2-CG1 4.49Å; F39-I61 HydrophobicContact CZ-CD1 3.36Å; F39-I61 HydrophobicContact CZ-CG1 3.62Å; S57-I61 PolarHBondContact O-N 3.12Å; I58-I61 PolarHBondContact O-N 2.89Å; E59-I61 PolarHBondContact O-N 3.05Å; I61-K63 VanDerWaalsContact C-N 3.3Å; I61-K63 PolarHBondContact O-N 2.91Å; I61-K64 PolarHBondContact O-N 2.97Å; I61-K64 VanDerWaalsContact O-N 3.16Å; I61-Y65 WeakPolarHBondContact O-CB 3.33Å; I61-Y65 PolarHBondContact O-N 2.89Å
62L94.6Very high90.6Very high92 Ų9286.1 Ų86.148%0.48243%0.428SS..Hα-helixtrans-60.3-41.2-176.7-69.1174.4000111.8I58 E59 K66I58-L62 HydrophobicContact CG1-CD1 4.36Å; I58-L62 WeakPolarHBondContact O-CG 3.38Å; I58-L62 PolarHBondContact O-N 2.64Å; E59-L62 PolarHBondContact O-N 3.23Å; L62-K66 WeakPolarHBondContact O-CB 3.4Å; L62-K66 VanDerWaalsContact O-CG 3.29Å; L62-K66 WeakPolarHBondContact O-CG 3.49Å; L62-K66 PolarHBondContact O-N 2.95Å
63K94.2Very high90.4Very high143 Ų14386.8 Ų86.862%0.62243%0.432SS*.Hα-helixtrans-63.6-44.7176.2-176.6176.2-179.1175.10111.8E59 I61 T67E59-K63 VanDerWaalsContact O-CB 3.29Å; E59-K63 WeakPolarHBondContact O-CB 3.39Å; E59-K63 PolarHBondContact O-N 2.63Å; I61-K63 VanDerWaalsContact C-N 3.3Å; I61-K63 PolarHBondContact O-N 2.91Å; K63-T67 PolarHBondContact O-N 2.87Å; K63-T67 PolarHBondContact O-OG1 3.45Å
64K92.2Very high90.1Very high139 Ų13990.7 Ų90.760%0.60444%0.439SS*.Hα-helixtrans-66-44.9178.5-72.9-69.3-175.7176.90111.7M60 I61 T67 I68M60-K64 WeakPolarHBondContact O-CG 3.37Å; M60-K64 PolarHBondContact O-N 3.17Å; I61-K64 PolarHBondContact O-N 2.97Å; I61-K64 VanDerWaalsContact O-N 3.16Å; K64-T67 PolarHBondContact O-N 2.66Å; K64-I68 WeakPolarHBondContact O-CG1 3.39Å; K64-I68 PolarHBondContact O-N 2.78Å
65Y92.7Very high89.4Confident145 Ų14590.3 Ų90.357%0.56943%0.429SS*.Hα-helixtrans-55.6-52.6174.4175.9-96000111.5I61 T67 I68 F69I61-Y65 WeakPolarHBondContact O-CB 3.33Å; I61-Y65 PolarHBondContact O-N 2.89Å; Y65-T67 VanDerWaalsContact C-N 3.34Å; Y65-T67 PolarHBondContact O-N 3.41Å; Y65-I68 PolarHBondContact O-N 2.93Å; Y65-F69 HydrophobicContact CE1-CB 4.49Å; Y65-F69 VanDerWaalsContact O-CB 3.3Å; Y65-F69 WeakPolarHBondContact O-CB 3.48Å; Y65-F69 PolarHBondContact O-N 2.87Å
66K92.5Very high88.8Confident130 Ų13095.4 Ų95.457%0.56544%0.435SS*.Hα-helixtrans-55.5-47.2177.7-74.6176.7-178.9-176.30112.1L62 I68 F69 E70L62-K66 WeakPolarHBondContact O-CB 3.4Å; L62-K66 VanDerWaalsContact O-CG 3.29Å; L62-K66 WeakPolarHBondContact O-CG 3.49Å; L62-K66 PolarHBondContact O-N 2.95Å; K66-I68 PolarHBondContact O-N 3.21Å; K66-F69 PolarHBondContact O-N 3.02Å; K66-E70 WeakPolarHBondContact O-CB 3.49Å; K66-E70 VanDerWaalsContact O-CG 3.29Å; K66-E70 WeakPolarHBondContact O-CG 3.12Å; K66-E70 PolarHBondContact O-N 2.7Å
67T91.3Very high87.6Confident58 Ų5898.9 Ų98.936%0.35645%0.447SS..Hα-helixtrans-60.6-44.3-179.6-53.20000112.1T2 K63 K64 Y65 G71T2-T67 HydrophobicContact CG2-CG2 3.93Å; K63-T67 PolarHBondContact O-N 2.87Å; K63-T67 PolarHBondContact O-OG1 3.45Å; K64-T67 PolarHBondContact O-N 2.66Å; Y65-T67 VanDerWaalsContact C-N 3.34Å; Y65-T67 PolarHBondContact O-N 3.41Å; T67-G71 PolarHBondContact O-N 2.96Å
68I88.7Confident86.1Confident95 Ų95101.3 Ų101.349%0.48746%0.461SS..Hα-helixtrans-69-45179.2-67169.5000110.4K64 Y65 K66 G71 Y72K64-I68 WeakPolarHBondContact O-CG1 3.39Å; K64-I68 PolarHBondContact O-N 2.78Å; Y65-I68 PolarHBondContact O-N 2.93Å; K66-I68 PolarHBondContact O-N 3.21Å; I68-G71 CarbonylContact O-C 3.43Å; I68-G71 WeakPolarHBondContact O-CA 3.41Å; I68-G71 PolarHBondContact O-N 3.23Å; I68-G71 VanDerWaalsContact O-N 3.09Å; I68-Y72 PolarHBondContact O-N 3.48Å
69F89.5Confident84.4Confident90 Ų90101.5 Ų101.540%0.39546%0.463SS..Hα-helixtrans-62.4-44.1-179.5-176.2-103.9000112.6Y65 K66 G71 Y72 Q73Y65-F69 HydrophobicContact CE1-CB 4.49Å; Y65-F69 VanDerWaalsContact O-CB 3.3Å; Y65-F69 WeakPolarHBondContact O-CB 3.48Å; Y65-F69 PolarHBondContact O-N 2.87Å; K66-F69 PolarHBondContact O-N 3.02Å; F69-G71 VanDerWaalsContact C-N 3.25Å; F69-G71 PolarHBondContact O-N 3.43Å; F69-Y72 WeakPolarHBondContact O-CB 3.32Å; F69-Y72 PolarHBondContact O-N 3.18Å; F69-Q73 HydrophobicContact CD1-CG 4.22Å; F69-Q73 HydrophobicContact CE1-CG 3.93Å; F69-Q73 HydrophobicContact CZ-CG 4.1Å; F69-Q73 WeakPolarHBondContact O-CG 3.38Å; F69-Q73 PolarHBondContact O-N 3.37Å
70E89.1Confident82.5Confident106 Ų10699.9 Ų99.950%0.49546%0.462SS..Hα-helixtrans-61.4-36.8172.9-72.2171.9-16800112K66 R74K66-E70 WeakPolarHBondContact O-CB 3.49Å; K66-E70 VanDerWaalsContact O-CG 3.29Å; K66-E70 WeakPolarHBondContact O-CG 3.12Å; K66-E70 PolarHBondContact O-N 2.7Å; E70-R74 WeakPolarHBondContact O-CG 3.26Å; E70-R74 PolarHBondContact O-N 3.36Å; E70-R74 VanDerWaalsContact O-N 3.16Å; E70-R74 PolarHBondContact O-NE 3.24Å; E70-R74 IonicContact OE2-NH2 2.69Å
71G86.1Confident80.5Confident2 Ų2101 Ų1012%0.02147%0.469CS..Hα-helixtrans-58.8-51.7171.800000111.7T67 I68 F69 R74 H75T67-G71 PolarHBondContact O-N 2.96Å; I68-G71 CarbonylContact O-C 3.43Å; I68-G71 WeakPolarHBondContact O-CA 3.41Å; I68-G71 PolarHBondContact O-N 3.23Å; I68-G71 VanDerWaalsContact O-N 3.09Å; F69-G71 VanDerWaalsContact C-N 3.25Å; F69-G71 PolarHBondContact O-N 3.43Å; G71-R74 PolarHBondContact O-N 3.19Å; G71-H75 PolarHBondContact O-N 2.93Å; G71-H75 PolarHBondContact O-ND1 2.76Å
72Y82.1Confident78.4Confident138 Ų138104.3 Ų104.354%0.54148%0.484SS..Hα-helixtrans-58.1-48.5178.1173.3-97.4000112.3I68 F69 R74 H75 R76I68-Y72 PolarHBondContact O-N 3.48Å; F69-Y72 WeakPolarHBondContact O-CB 3.32Å; F69-Y72 PolarHBondContact O-N 3.18Å; Y72-R74 VanDerWaalsContact C-N 3.33Å; Y72-R74 PolarHBondContact O-N 2.91Å; Y72-H75 PolarHBondContact O-N 3.34Å; Y72-R76 PolarHBondContact O-N 3.41Å
73Q83.6Confident76.1Confident63 Ų63103.7 Ų103.729%0.29449%0.487SS..Hα-helixtrans-60.9-39.6180-68.8-68.82.500112.8F69 H75 R76 Q77F69-Q73 HydrophobicContact CD1-CG 4.22Å; F69-Q73 HydrophobicContact CE1-CG 3.93Å; F69-Q73 HydrophobicContact CZ-CG 4.1Å; F69-Q73 WeakPolarHBondContact O-CG 3.38Å; F69-Q73 PolarHBondContact O-N 3.37Å; Q73-H75 PolarHBondContact O-N 2.99Å; Q73-R76 PolarHBondContact O-N 2.98Å; Q73-Q77 WeakPolarHBondContact O-CG 3.29Å; Q73-Q77 PolarHBondContact O-N 3.45Å; Q73-Q77 VanDerWaalsContact O-N 3.12Å
74R81Confident73.7Confident137 Ų137101.7 Ų101.752%0.51749%0.487SS..Hα-helixtrans-62.4-41.1176.5-80-176.3-102106.5-2.4112.5E70 G71 Y72 V78E70-R74 WeakPolarHBondContact O-CG 3.26Å; E70-R74 PolarHBondContact O-N 3.36Å; E70-R74 VanDerWaalsContact O-N 3.16Å; E70-R74 PolarHBondContact O-NE 3.24Å; E70-R74 IonicContact OE2-NH2 2.69Å; G71-R74 PolarHBondContact O-N 3.19Å; Y72-R74 VanDerWaalsContact C-N 3.33Å; Y72-R74 PolarHBondContact O-N 2.91Å; R74-V78 VanDerWaalsContact O-CG2 3.31Å; R74-V78 WeakPolarHBondContact O-CG2 3.41Å; R74-V78 PolarHBondContact O-N 3.44Å
75H74.8Confident71.4Confident90 Ų90103.2 Ų103.242%0.41749%0.493SS..Hα-helixtrans-70-42.5178.5-67.781.6000111.1G71 Y72 Q73 Q77 V78 D79G71-H75 PolarHBondContact O-N 2.93Å; G71-H75 PolarHBondContact O-ND1 2.76Å; Y72-H75 PolarHBondContact O-N 3.34Å; Q73-H75 PolarHBondContact O-N 2.99Å; H75-Q77 VanDerWaalsContact C-N 3.28Å; H75-Q77 PolarHBondContact O-N 3.16Å; H75-V78 PolarHBondContact O-N 3.29Å; H75-D79 PolarHBondContact O-N 3.21Å
76R75.7Confident69.1Low150 Ų150100.1 Ų100.157%0.56649%0.493SS*.Hα-helixtrans-57.2-40.6177.4-162.5179.5-176.4-1552.7112.4Y72 Q73 T80Y72-R76 PolarHBondContact O-N 3.41Å; Q73-R76 PolarHBondContact O-N 2.98Å; R76-T80 PolarHBondContact O-N 3.16Å; R76-T80 PolarHBondContact O-OG1 2.91Å
77Q67.2Low66.8Low124 Ų12499.8 Ų99.858%0.57950%0.502SS*.Hα-helixtrans-70-30.4176-70.4-176.412.700113.8Q73 H75 N81Q73-Q77 WeakPolarHBondContact O-CG 3.29Å; Q73-Q77 PolarHBondContact O-N 3.45Å; Q73-Q77 VanDerWaalsContact O-N 3.12Å; H75-Q77 VanDerWaalsContact C-N 3.28Å; H75-Q77 PolarHBondContact O-N 3.16Å; Q77-N81 WeakPolarHBondContact O-CB 3.29Å; Q77-N81 PolarHBondContact O-N 3.49Å; Q77-N81 VanDerWaalsContact O-N 3.14Å; Q77-N81 PolarHBondContact O-ND2 3.5Å
78V60.8Low64.6Low74 Ų74103.9 Ų103.945%0.44852%0.52SS..Hα-helixtrans-72.4-40.1177.4174.60000110.4R74 H75 T80 N81 Q82R74-V78 VanDerWaalsContact O-CG2 3.31Å; R74-V78 WeakPolarHBondContact O-CG2 3.41Å; R74-V78 PolarHBondContact O-N 3.44Å; H75-V78 PolarHBondContact O-N 3.29Å; V78-T80 VanDerWaalsContact C-N 3.35Å; V78-T80 PolarHBondContact O-N 3.19Å; V78-N81 PolarHBondContact O-N 3.14Å; V78-Q82 HydrophobicContact CG1-CG 4.22Å; V78-Q82 WeakPolarHBondContact O-CB 3.09Å; V78-Q82 WeakPolarHBondContact O-CG 3.35Å; V78-Q82 PolarHBondContact O-N 2.8Å
79D57.8Low62.2Low99 Ų99107.3 Ų107.353%0.52953%0.531SS..Hα-helixtrans-64.6-39.1176.3-65.9-32.8000111.6H75 N81 S83H75-D79 PolarHBondContact O-N 3.21Å; D79-N81 PolarHBondContact O-N 2.84Å; D79-S83 PolarHBondContact O-N 3.36Å; D79-S83 VanDerWaalsContact O-N 3.11Å
80T52Low59.7Low88 Ų88112 Ų11254%0.5455%0.554SS.*Hα-helixtrans-63.5-40.4172.8-46.90000112.1R76 V78 V84R76-T80 PolarHBondContact O-N 3.16Å; R76-T80 PolarHBondContact O-OG1 2.91Å; V78-T80 VanDerWaalsContact C-N 3.35Å; V78-T80 PolarHBondContact O-N 3.19Å; T80-V84 WeakPolarHBondContact O-CG2 3.17Å
81N50.8Low57.1Low105 Ų105116 Ų11656%0.56157%0.573SS**Hα-helixtrans-79.2-25.2-179-76.7-51000114Q77 V78 D79 K85Q77-N81 WeakPolarHBondContact O-CB 3.29Å; Q77-N81 PolarHBondContact O-N 3.49Å; Q77-N81 VanDerWaalsContact O-N 3.14Å; Q77-N81 PolarHBondContact O-ND2 3.5Å; V78-N81 PolarHBondContact O-N 3.14Å; D79-N81 PolarHBondContact O-N 2.84Å; N81-K85 PolarHBondContact O-N 2.88Å
82Q49.8Very low54.5Low123 Ų123121.1 Ų121.158%0.57561%0.606SS**Hα-helixtrans-77.9-38.2175-78.5-177.9-1.300111.8V78 V84 K85 S86V78-Q82 HydrophobicContact CG1-CG 4.22Å; V78-Q82 WeakPolarHBondContact O-CB 3.09Å; V78-Q82 WeakPolarHBondContact O-CG 3.35Å; V78-Q82 PolarHBondContact O-N 2.8Å; Q82-V84 PolarHBondContact O-N 3.22Å; Q82-K85 PolarHBondContact O-N 3.31Å; Q82-S86 PolarHBondContact O-N 3.19Å; Q82-S86 PolarHBondContact O-OG 3.07Å
83S46.6Very low52Low79 Ų79124.7 Ų124.755%0.55262%0.624SS**Hα-helixtrans-62.6-27.4172.6-92.90000113.7D79 V87D79-S83 PolarHBondContact O-N 3.36Å; D79-S83 VanDerWaalsContact O-N 3.11Å; S83-V87 VanDerWaalsContact O-CG2 3.28Å; S83-V87 WeakPolarHBondContact O-CG2 3.2Å
84V44Very low49.4Very low100 Ų100130 Ų13061%0.60665%0.649SS**Hα-helixtrans-80.8-27.1176.2179.80000112.1T80 Q82T80-V84 WeakPolarHBondContact O-CG2 3.17Å; Q82-V84 PolarHBondContact O-N 3.22Å
85K44Very low47Very low172 Ų172129.5 Ų129.575%0.74866%0.663SS**Hα-helixtrans-88.2-27.3-179.8-79.1-177.9177178.10114.2N81 Q82N81-K85 PolarHBondContact O-N 2.88Å; Q82-K85 PolarHBondContact O-N 3.31Å
86S43.4Very low44.8Very low79 Ų79131.6 Ų131.655%0.55268%0.678SS**Hα-helixtrans-79.8-16.1-179.852.70000114.1Q82 I88Q82-S86 PolarHBondContact O-N 3.19Å; Q82-S86 PolarHBondContact O-OG 3.07Å; S86-I88 VanDerWaalsContact C-N 3.26Å; S86-I88 PolarHBondContact O-N 3.3Å
87V44.7Very low42.8Very low124 Ų124132.2 Ų132.275%0.75269%0.691SS**THydrogen-bonded Turntrans-74.7-11.7178.6174.60000113.2S83S83-V87 VanDerWaalsContact O-CG2 3.28Å; S83-V87 WeakPolarHBondContact O-CG2 3.2Å
88I45.2Very low40.9Very low144 Ų144131.4 Ų131.474%0.73869%0.694SS**THydrogen-bonded Turntrans-104.8-4.3-173.3-59.6175.9000113.1S86S86-I88 VanDerWaalsContact C-N 3.26Å; S86-I88 PolarHBondContact O-N 3.3Å
89K38.6Very low39.5Very low167 Ų167134.3 Ų134.373%0.72671%0.712SS**SBendtrans-139120.1-179.4-78.6-175.6177.1-177.60112.1
90E37.1Very low38.4Very low188 Ų188136.6 Ų136.688%0.87972%0.723SS**  trans108105.2150.4-65.8169.9-175.800118.8
91E34.1Very low37.5Very low191 Ų191138.1 Ų138.189%0.89373%0.734SS**  trans-71.3161.3152.7-102.5-172.4141.300111.8
92P31.1Very low36.6Very low109 Ų109138.1 Ų138.171%0.70874%0.743SS**  trans-107.1152.4-139.238.4-33.9000115
93K30.2Very low36.2Very low213 Ų213140.1 Ų140.193%0.92676%0.758SS**  trans-147.2116.3150.5-74.6-170-179.7174.80110.9
94Q29.5Very low35.5Very low173 Ų173144.8 Ų144.881%0.80877%0.771SS**  trans-132.7142158.5-76.2-170.3-14.500108.7
95P30.2Very low35.2Very low127 Ų127145.8 Ų145.883%0.82577%0.772SS**  trans-102127.5150.731.5-19.7000110.1
96N29Very low34.8Very low134 Ų134145.9 Ų145.972%0.71777%0.773SS**  trans-67.4146.2171.3-79.2-25.4000111.6
97I31.9Very low34.2Very low164 Ų164149.4 Ų149.484%0.84179%0.785SS**  trans-123.9110.5153.1-61.1178.9000107.2
98T28.9Very low33.7Very low107 Ų107149 Ų14966%0.65678%0.783SS**  trans-103.5131.2168.7-58.80000107.5L100T98-L100 HydrophobicContact CG2-CG 4.38Å
99V31.7Very low33Very low134 Ų134147.9 Ų147.981%0.81279%0.788SS**  trans-101.4122.6167.8-177.90000108
100L33.4Very low32.6Very low147 Ų147143.6 Ų143.677%0.7779%0.792SS**  trans-115.4149.5170.7-83.1153.8000108.1T98T98-L100 HydrophobicContact CG2-CG 4.38Å
101P33.6Very low32Very low120 Ų120140.7 Ų140.778%0.77979%0.791SS**  trans-92.5141.1149.75.514.7000110.6
102S31.7Very low32.1Very low105 Ų105136.5 Ų136.573%0.73478%0.78SS**  trans-56.6145.2-179.544.50000116.2
103N40.8Very low32.1Very low166 Ų166136.3 Ų136.389%0.88878%0.781SS**  trans-159.1143.4130.9-90.3-21.6000111.2
104E32.6Very low32.3Very low177 Ų177132.3 Ų132.383%0.82778%0.78SS**  trans-74140.5-168.7-58.8172.3131.800113.5
105D37Very low32.3Very low120 Ų120130.1 Ų130.164%0.64278%0.778SS**  163118.8109.2-104.7-39.6000112.5
106K37.1Very low32.3Very low174 Ų174133 Ų13376%0.75778%0.778SS**  trans48.4104137.2-66.6171.6-168.2127.60122.3
107N30Very low32.3Very low153 Ų153133.3 Ų133.382%0.81878%0.779SS**  92.7133.3103.8-1448.6000120.9
108V33.5Very low32.1Very low116 Ų116132.1 Ų132.170%0.70377%0.774SS**  trans99.193.3149.4-162.60000119.9
109S31.3Very low32.2Very low120 Ų120133.5 Ų133.584%0.83978%0.782SS**  79.1125.8118.5-157.40000122.8
110G30.9Very low32.6Very low78 Ų78130.4 Ų130.480%0.80477%0.767SS**  trans130.896.7139.700000117.4
111C24.5Very low33.1Very low127 Ų127129.7 Ų129.786%0.85876%0.757SS**  trans-101.5-179.5164.7-126.70000108.9
112P35.9Very low33.7Very low103 Ų103128.1 Ų128.167%0.66975%0.749SS**  cis-142.6-175.8-8.433-9.4000116
113S30.6Very low34.6Very low105 Ų105129.9 Ų129.973%0.73475%0.746SS**  trans77.3112.3143.953.60000122.3
114S33.7Very low35.2Very low128 Ų128125.9 Ų125.990%0.89572%0.722SS**  -165.6145.1119.7-100.30000114.5
115V30.3Very low36.3Very low128 Ų128120.7 Ų120.778%0.77670%0.7SS**  trans-71.3142.1-174.1-173.10000111.3
116K29.8Very low37.5Very low187 Ų187120 Ų12081%0.81370%0.696SS**  166.7139.9122.6-90168.2-174.4-179.60115
117N29.8Very low39.1Very low140 Ų140116.3 Ų116.375%0.74968%0.682SS**  trans9388.6154.6-61.8-3.7000118.8
118L27.8Very low41Very low140 Ų140109.6 Ų109.673%0.73365%0.645SS**  trans-93106.5152.5-83.784.7000108.3
119T29.2Very low42.6Very low135 Ų135110.6 Ų110.683%0.82864%0.64SS**  trans-156.44.9164.110.60000115.9
120S40.4Very low44.5Very low69 Ų69109.3 Ų109.348%0.48363%0.627SS.*  trans-117.83-176.258.10000116.1S122S120-S122 PolarHBondContact O-N 3.09Å
121K44Very low46.7Very low133 Ų133106.6 Ų106.658%0.57859%0.593SS**THydrogen-bonded Turntrans-75.2-14.2-164.1-75.5-177.8177.3176.20116.4
122S46.1Very low49.1Very low86 Ų86103.1 Ų103.160%0.60156%0.564SS**THydrogen-bonded Turntrans-82.2-40.1-177.347.90000112.8S120 N125S120-S122 PolarHBondContact O-N 3.09Å; S122-N125 PolarHBondContact O-N 3.12Å
123E51.5Low50.9Low142 Ų142102.3 Ų102.366%0.66457%0.566SS**Hα-helixtrans-71.2-41.1-175.3-67.3173.917200111.4N125 D126 E127E123-N125 PolarHBondContact O-N 2.97Å; E123-N125 VanDerWaalsContact O-N 3.1Å; E123-D126 PolarHBondContact O-N 3.49Å; E123-D126 VanDerWaalsContact O-N 3.09Å; E123-E127 PolarHBondContact O-N 2.85Å
124E54.2Low53.2Low82 Ų82100.2 Ų100.238%0.38355%0.546SS..Hα-helixtrans-56-31.2176.7-71.1175.6-168.200113.7L128E124-L128 WeakPolarHBondContact O-CG 3.43Å; E124-L128 PolarHBondContact O-N 2.87Å
125N54.6Low55.5Low69 Ų6998.9 Ų98.937%0.36954%0.535SS..Hα-helixtrans-74.4-31.7-178.7-92.3-24.2000112.9S122 E123 K243S122-N125 PolarHBondContact O-N 3.12Å; E123-N125 PolarHBondContact O-N 2.97Å; E123-N125 VanDerWaalsContact O-N 3.1Å; N125-K243 WeakPolarHBondContact OD1-CD 3.46Å; N125-K243 WeakPolarHBondContact OD1-CE 3.5Å; N125-K243 PolarHBondContact OD1-NZ 3.36Å
126D63.1Low58.2Low106 Ų10695.7 Ų95.757%0.56751%0.513SS*.Hα-helixtrans-82.3-35.8-178.8-76.9-22.1000110.6E123 K129 V130E123-D126 PolarHBondContact O-N 3.49Å; E123-D126 VanDerWaalsContact O-N 3.09Å; D126-K129 PolarHBondContact O-N 2.86Å; D126-V130 WeakPolarHBondContact O-CG2 3.26Å; D126-V130 PolarHBondContact O-N 3.23Å
127E69.6Low61.1Low96 Ų9686.8 Ų86.845%0.44948%0.475SS..Hα-helixtrans-60.5-47.1174.3-71.8-170.6-172.600112.7E123 K129 V130 Y131E123-E127 PolarHBondContact O-N 2.85Å; E127-K129 VanDerWaalsContact C-N 3.26Å; E127-K129 PolarHBondContact O-N 3.49Å; E127-V130 WeakPolarHBondContact O-CB 3.49Å; E127-V130 PolarHBondContact O-N 2.81Å; E127-Y131 HydrophobicContact CB-CE2 3.87Å; E127-Y131 WeakPolarHBondContact O-CD2 3.31Å; E127-Y131 VanDerWaalsContact O-CG 3.3Å; E127-Y131 PolarHBondContact O-N 3.4Å; E127-Y131 PolarHBondContact OE2-OH 2.83Å
128L69.9Low63.9Low11 Ų1183.2 Ų83.26%0.05845%0.451CS..Hα-helixtrans-59.4-36.8179.7-76.3169.3000112.7E124 V130 Y131 Q132 L239 N240 K243E124-L128 WeakPolarHBondContact O-CG 3.43Å; E124-L128 PolarHBondContact O-N 2.87Å; L128-V130 VanDerWaalsContact C-N 3.35Å; L128-Y131 PolarHBondContact O-N 3.1Å; L128-Q132 WeakPolarHBondContact O-CB 3.48Å; L128-Q132 VanDerWaalsContact O-CG 3.25Å; L128-Q132 WeakPolarHBondContact O-CG 3.35Å; L128-Q132 PolarHBondContact O-N 2.86Å; L128-L239 HydrophobicContact CD2-CD2 4.02Å; L128-N240 HydrophobicContact CD1-CB 4.46Å; L128-K243 HydrophobicContact CD1-CB 3.91Å; L128-K243 HydrophobicContact CD1-CD 4.05Å
129K67.4Low66.9Low137 Ų13776.6 Ų76.660%0.59642%0.417SS*.Hα-helixtrans-69.8-33.4176.3-72.9179.3-178.5173.30112.5D126 E127 A133D126-K129 PolarHBondContact O-N 2.86Å; E127-K129 VanDerWaalsContact C-N 3.26Å; E127-K129 PolarHBondContact O-N 3.49Å; K129-A133 PolarHBondContact O-N 3.36Å
130V71.2Confident69.9Low93 Ų9370.2 Ų70.256%0.56438%0.377SS*.Hα-helixtrans-66.7-46.2174.4173.40000109.4D126 E127 L128 Q132 A133D126-V130 WeakPolarHBondContact O-CG2 3.26Å; D126-V130 PolarHBondContact O-N 3.23Å; E127-V130 WeakPolarHBondContact O-CB 3.49Å; E127-V130 PolarHBondContact O-N 2.81Å; L128-V130 VanDerWaalsContact C-N 3.35Å; V130-Q132 PolarHBondContact O-N 2.71Å; V130-A133 PolarHBondContact O-N 3.2Å
131Y77.7Confident72.3Confident21 Ų2166.9 Ų66.98%0.08235%0.354CS..Hα-helixtrans-63.7-40.8178.5-58.6-29.9000112.5E127 L128 A133 D134 C137 Y138 G140 A141 I142E127-Y131 HydrophobicContact CB-CE2 3.87Å; E127-Y131 WeakPolarHBondContact O-CD2 3.31Å; E127-Y131 VanDerWaalsContact O-CG 3.3Å; E127-Y131 PolarHBondContact O-N 3.4Å; E127-Y131 PolarHBondContact OE2-OH 2.83Å; L128-Y131 PolarHBondContact O-N 3.1Å; Y131-A133 PolarHBondContact O-N 3.03Å; Y131-D134 PolarHBondContact O-N 3.41Å; Y131-D134 VanDerWaalsContact O-N 3.17Å; Y131-C137 WeakPolarHBondContact CB-O 3.41Å; Y131-C137 HydrophobicContact CD1-CB 4.28Å; Y131-C137 CarbonylContact O-C 3.5Å; Y131-Y138 WeakPolarHBondContact O-CA 3.43Å; Y131-Y138 PolarHBondContact O-N 3.26Å; Y131-G140 VanDerWaalsContact CD2-O 3.27Å; Y131-G140 WeakPolarHBondContact CD2-O 3.43Å; Y131-A141 HydrophobicContact CD2-CB 4.47Å; Y131-A141 HydrophobicContact CE2-CB 4.11Å; Y131-I142 HydrophobicContact CD1-CD1 4.36Å; Y131-I142 HydrophobicContact CD1-CG1 4.25Å; Y131-I142 HydrophobicContact CE1-CB 4.18Å; Y131-I142 HydrophobicContact CE1-CD1 4.17Å; Y131-I142 HydrophobicContact CE1-CG1 4Å
132Q74.9Confident74.6Confident55 Ų5564 Ų6426%0.25734%0.344SS..THydrogen-bonded Turntrans-65.7-16.2176.4-76.6172.4-13.500114.7L128 V130 Y138 N139 K243L128-Q132 WeakPolarHBondContact O-CB 3.48Å; L128-Q132 VanDerWaalsContact O-CG 3.25Å; L128-Q132 WeakPolarHBondContact O-CG 3.35Å; L128-Q132 PolarHBondContact O-N 2.86Å; V130-Q132 PolarHBondContact O-N 2.71Å; Q132-Y138 HydrophobicContact CB-CD2 4.48Å; Q132-Y138 HydrophobicContact CB-CE2 4.43Å; Q132-Y138 HydrophobicContact CG-CE2 4.49Å; Q132-Y138 WeakPolarHBondContact O-CD2 3.32Å; Q132-N139 WeakPolarHBondContact CG-OD1 3.19Å; Q132-N139 PolarHBondContact NE2-OD1 2.97Å; Q132-K243 PolarHBondContact NE2-O 2.93Å
133A72.4Confident76.8Confident85 Ų8562.1 Ų62.170%0.70232%0.324SS*.THydrogen-bonded Turntrans-90.4-14.3177.100000113.1K129 V130 Y131K129-A133 PolarHBondContact O-N 3.36Å; V130-A133 PolarHBondContact O-N 3.2Å; Y131-A133 PolarHBondContact O-N 3.03Å
134D79.3Confident78.6Confident61 Ų6162.6 Ų62.633%0.32633%0.331SS..  trans-113118.9-176.2-176.5-15.1000109.8Y131 D136 C137 Y138Y131-D134 PolarHBondContact O-N 3.41Å; Y131-D134 VanDerWaalsContact O-N 3.17Å; D134-D136 PolarHBondContact O-N 2.82Å; D134-D136 VanDerWaalsContact O-N 3.14Å; D134-D136 WeakPolarHBondContact OD1-CB 3.49Å; D134-D136 PolarHBondContact OD1-N 2.99Å; D134-C137 CarbonylContact O-C 3.6Å; D134-C137 PolarHBondContact O-N 3.31Å; D134-Y138 WeakPolarHBondContact O-CA 3.4Å; D134-Y138 PolarHBondContact O-N 3.45Å
135P82.9Confident80.3Confident100 Ų10061.7 Ų61.765%0.64933%0.334SS*.G310 helixtrans-57.7-29179.825.3-35.3000113.1C137P135-C137 VanDerWaalsContact C-N 3.27Å; P135-C137 PolarHBondContact O-N 2.84Å
136D86.8Confident82.2Confident62 Ų6259.2 Ų59.233%0.33232%0.32SS..G310 helixtrans-72.9-22.3-175.9-74.6-4.5000113D134 T147 W148 S149 K158D134-D136 PolarHBondContact O-N 2.82Å; D134-D136 VanDerWaalsContact O-N 3.14Å; D134-D136 WeakPolarHBondContact OD1-CB 3.49Å; D134-D136 PolarHBondContact OD1-N 2.99Å; D136-T147 WeakPolarHBondContact O-CG2 3.49Å; D136-W148 CarbonylContact O-C 3.54Å; D136-S149 WeakPolarHBondContact O-CB 3.27Å; D136-K158 IonicContact OD1-NZ 3.86Å; D136-K158 PolarHBondContact OD1-NZ 3.26Å; D136-K158 IonicContact OD2-NZ 3.79Å; D136-K158 PolarHBondContact OD2-NZ 3.43Å
137C90Very high83.7Confident0 Ų055.3 Ų55.30%030%0.299CS..G310 helixtrans-128.119.9175.9570000113.6Y131 D134 P135 N139 G140 I142 T147 W148Y131-C137 WeakPolarHBondContact CB-O 3.41Å; Y131-C137 HydrophobicContact CD1-CB 4.28Å; Y131-C137 CarbonylContact O-C 3.5Å; D134-C137 CarbonylContact O-C 3.6Å; D134-C137 PolarHBondContact O-N 3.31Å; P135-C137 VanDerWaalsContact C-N 3.27Å; P135-C137 PolarHBondContact O-N 2.84Å; C137-N139 PolarHBondContact O-N 2.83Å; C137-N139 VanDerWaalsContact O-N 3.12Å; C137-G140 CarbonylContact O-C 3.52Å; C137-G140 WeakPolarHBondContact O-CA 3.48Å; C137-G140 PolarHBondContact O-N 2.97Å; C137-I142 HydrophobicContact CB-CG1 3.82Å; C137-T147 HydrophobicContact CB-CG2 3.75Å; C137-W148 VanDerWaalsContact CA-O 3.32Å; C137-W148 WeakPolarHBondContact CA-O 3.49Å
138Y89Confident85Confident65 Ų6550.7 Ų50.726%0.25528%0.278SS..THydrogen-bonded Turntrans-54.8120.3-179.1-178.5-101.8000110.8Y131 Q132 D134 G140 S149 Q150 D245Y131-Y138 WeakPolarHBondContact O-CA 3.43Å; Y131-Y138 PolarHBondContact O-N 3.26Å; Q132-Y138 HydrophobicContact CB-CD2 4.48Å; Q132-Y138 HydrophobicContact CB-CE2 4.43Å; Q132-Y138 HydrophobicContact CG-CE2 4.49Å; Q132-Y138 WeakPolarHBondContact O-CD2 3.32Å; D134-Y138 WeakPolarHBondContact O-CA 3.4Å; D134-Y138 PolarHBondContact O-N 3.45Å; Y138-G140 PolarHBondContact O-N 2.8Å; Y138-S149 WeakPolarHBondContact O-CA 3.29Å; Y138-S149 WeakPolarHBondContact O-CB 3.45Å; Y138-Q150 PolarHBondContact O-N 3.11Å; Y138-D245 VanDerWaalsContact OH-CG 3.27Å; Y138-D245 PolarHBondContact OH-OD2 3.46Å
139N90Very high86.2Confident1 Ų151 Ų511%0.00528%0.28CS..THydrogen-bonded Turntrans55.412.3-175.1-70.2-27.2000115.5Q132 C137 Q150 W228 I244 D245Q132-N139 WeakPolarHBondContact CG-OD1 3.19Å; Q132-N139 PolarHBondContact NE2-OD1 2.97Å; C137-N139 PolarHBondContact O-N 2.83Å; C137-N139 VanDerWaalsContact O-N 3.12Å; N139-Q150 HydrophobicContact CB-CG 4.16Å; N139-Q150 WeakPolarHBondContact O-CG 3.36Å; N139-Q150 PolarHBondContact O-NE2 3.17Å; N139-W228 HydrophobicContact CB-CE3 4.43Å; N139-W228 HydrophobicContact CB-CZ3 3.82Å; N139-W228 WeakPolarHBondContact ND2-CH2 3.41Å; N139-I244 HydrophobicContact CB-CG2 3.64Å; N139-I244 WeakPolarHBondContact ND2-CG2 3.31Å; N139-I244 VanDerWaalsContact OD1-CG2 3.23Å; N139-I244 WeakPolarHBondContact OD1-CG2 3.31Å; N139-D245 PolarHBondContact ND2-O 3.24Å; N139-D245 PolarHBondContact OD1-N 2.88Å
140G92.4Very high87.5Confident0 Ų044.6 Ų44.60%025%0.253CS..SBendtrans-117.4-137.4173.500000110.2Y131 C137 Y138 W148 L239Y131-G140 VanDerWaalsContact CD2-O 3.27Å; Y131-G140 WeakPolarHBondContact CD2-O 3.43Å; C137-G140 CarbonylContact O-C 3.52Å; C137-G140 WeakPolarHBondContact O-CA 3.48Å; C137-G140 PolarHBondContact O-N 2.97Å; Y138-G140 PolarHBondContact O-N 2.8Å; G140-W148 CarbonylContact C-O 3.58Å; G140-W148 VanDerWaalsContact CA-O 3.29Å; G140-W148 WeakPolarHBondContact CA-O 3.34Å; G140-L239 VanDerWaalsContact O-CD1 3.29Å; G140-L239 WeakPolarHBondContact O-CD1 3.41Å
141A91.8Very high88.4Confident0 Ų042.8 Ų42.80%024%0.242CC..EExtended strand (participates in β ladder)trans-156160.7-177.600000113.4Y131 R143 W148 L239Y131-A141 HydrophobicContact CD2-CB 4.47Å; Y131-A141 HydrophobicContact CE2-CB 4.11Å; A141-R143 VanDerWaalsContact CB-NH2 3.27Å; A141-W148 HydrophobicContact CB-CZ2 4.43Å; A141-W148 PolarHBondContact N-O 3.14Å; A141-W148 PolarHBondContact O-N 3.17Å; A141-L239 HydrophobicContact CB-CD2 4.26Å
142I91.8Very high89Confident73 Ų7343.5 Ų43.537%0.37425%0.247SC..EExtended strand (participates in β ladder)trans-98.4128.9168.9-57.8172.3000108.1Y131 C137 T147Y131-I142 HydrophobicContact CD1-CD1 4.36Å; Y131-I142 HydrophobicContact CD1-CG1 4.25Å; Y131-I142 HydrophobicContact CE1-CB 4.18Å; Y131-I142 HydrophobicContact CE1-CD1 4.17Å; Y131-I142 HydrophobicContact CE1-CG1 4Å; C137-I142 HydrophobicContact CB-CG1 3.82Å; I142-T147 HydrophobicContact CG1-CG2 3.86Å
143R91.9Very high89.8Confident45 Ų4544.6 Ų44.617%0.1725%0.251CS..  trans-122.6173.3174-52.5-62.1175.7-141.29110.6A141 Y146 K160 E236 D237A141-R143 VanDerWaalsContact CB-NH2 3.27Å; R143-Y146 CarbonylContact C-O 3.48Å; R143-Y146 VanDerWaalsContact CA-O 3.29Å; R143-Y146 WeakPolarHBondContact CA-O 3.48Å; R143-Y146 HydrophobicContact CB-CD1 4.32Å; R143-Y146 HydrophobicContact CB-CE1 4.1Å; R143-Y146 HydrophobicContact CB-CE2 4.41Å; R143-Y146 VanDerWaalsContact CB-O 3.26Å; R143-Y146 WeakPolarHBondContact CB-O 3.37Å; R143-Y146 HydrophobicContact CG-CE1 4.25Å; R143-Y146 HydrophobicContact CG-CE2 3.94Å; R143-Y146 PolarHBondContact N-O 2.96Å; R143-Y146 VanDerWaalsContact O-O 3.12Å; R143-K160 PolarHBondContact O-NZ 3.02Å; R143-E236 IonicContact CZ-OE1 2.64Å; R143-E236 IonicContact NE-OE1 3.49Å; R143-E236 PolarHBondContact NE-OE1 3.24Å; R143-E236 IonicContact NH2-OE1 2.7Å; R143-E236 PolarHBondContact NH2-OE1 3.4Å; R143-D237 PolarHBondContact NH2-O 3.36Å; R143-D237 VanDerWaalsContact NH2-O 3.1Å
144D89.3Confident90.9Very high152 Ų15242.7 Ų42.781%0.81323%0.229SC*.SBendtrans-62.7-48.1-178.8-69.9-21.1000111.5K160D144-K160 WeakPolarHBondContact O-CD 3.11Å; D144-K160 PolarHBondContact O-NZ 2.9Å
145S90.8Very high91.7Very high63 Ų6339.8 Ų39.844%0.44121%0.214SC..SBendtrans-92.5-21.8-174.5-52.40000114.5K160S145-K160 PolarHBondContact O-N 2.95Å
146Y94.5Very high92.4Very high18 Ų1837 Ų377%0.07119%0.193CC..EExtended strand (participates in β ladder)trans-153160.8-176.263-82.2000111.4R143 W148 I157 K158 F193 A232 F233 E236R143-Y146 CarbonylContact C-O 3.48Å; R143-Y146 VanDerWaalsContact CA-O 3.29Å; R143-Y146 WeakPolarHBondContact CA-O 3.48Å; R143-Y146 HydrophobicContact CB-CD1 4.32Å; R143-Y146 HydrophobicContact CB-CE1 4.1Å; R143-Y146 HydrophobicContact CB-CE2 4.41Å; R143-Y146 VanDerWaalsContact CB-O 3.26Å; R143-Y146 WeakPolarHBondContact CB-O 3.37Å; R143-Y146 HydrophobicContact CG-CE1 4.25Å; R143-Y146 HydrophobicContact CG-CE2 3.94Å; R143-Y146 PolarHBondContact N-O 2.96Å; R143-Y146 VanDerWaalsContact O-O 3.12Å; Y146-W148 HydrophobicContact CD2-CB 4.47Å; Y146-W148 AromaticContact CD2-CD1 3.92Å; Y146-W148 AromaticContact CE2-CD1 3.53Å; Y146-W148 HydrophobicContact CE2-CG 4.34Å; Y146-I157 HydrophobicContact CD2-CG2 4.04Å; Y146-I157 HydrophobicContact CG-CG2 4.42Å; Y146-K158 CarbonylContact C-O 3.59Å; Y146-K158 WeakPolarHBondContact CA-O 3.28Å; Y146-K158 WeakPolarHBondContact CB-O 3.42Å; Y146-F193 HydrophobicContact CD1-CD2 4.08Å; Y146-F193 AromaticContact CD1-CE2 3.37Å; Y146-F193 HydrophobicContact CD1-CE2 3.37Å; Y146-F193 HydrophobicContact CD1-CZ 4.08Å; Y146-F193 AromaticContact CE1-CE2 3.6Å; Y146-F193 HydrophobicContact CE1-CE2 3.6Å; Y146-F193 HydrophobicContact CE1-CZ 4.07Å; Y146-F193 HydrophobicContact CG-CE2 4.28Å; Y146-A232 HydrophobicContact CE2-CB 4.09Å; Y146-F233 HydrophobicContact CD2-CD2 4.36Å; Y146-F233 HydrophobicContact CD2-CE2 4.01Å; Y146-F233 AromaticContact CE1-CD2 4Å; Y146-F233 HydrophobicContact CE1-CD2 4Å; Y146-F233 HydrophobicContact CE1-CE2 4.28Å; Y146-F233 AromaticContact CE2-CD2 3.61Å; Y146-F233 HydrophobicContact CE2-CD2 3.61Å; Y146-F233 AromaticContact CE2-CE2 3.72Å; Y146-F233 HydrophobicContact CE2-CE2 3.72Å; Y146-F233 HydrophobicContact CG-CE2 4.42Å; Y146-F233 AromaticContact CZ-CD2 3.41Å; Y146-F233 VanDerWaalsContact CZ-CD2 3.41Å; Y146-F233 AromaticContact CZ-CE2 3.88Å; Y146-F233 WeakPolarHBondContact OH-CD2 3.45Å; Y146-E236 VanDerWaalsContact OH-CD 3.24Å; Y146-E236 PolarHBondContact OH-OE2 3.29Å
147T94.5Very high92.9Very high23 Ų2334 Ų3414%0.14118%0.177CC..EExtended strand (participates in β ladder)trans-120.2145.4168.8-57.50000107.7D136 C137 I142 I157 K158D136-T147 WeakPolarHBondContact O-CG2 3.49Å; C137-T147 HydrophobicContact CB-CG2 3.75Å; I142-T147 HydrophobicContact CG1-CG2 3.86Å; T147-I157 CarbonylContact O-C 3.55Å; T147-K158 PolarHBondContact N-O 3.03Å; T147-K158 PolarHBondContact O-N 2.94Å
148W96.7Very high93.2Very high0 Ų035.1 Ų35.10%018%0.182CC..EExtended strand (participates in β ladder)trans-141.8146.917766.6-80.2000112.3D136 C137 G140 A141 Y146 Q150 I155 D156 I157 W229 A232 E236 L239D136-W148 CarbonylContact O-C 3.54Å; C137-W148 VanDerWaalsContact CA-O 3.32Å; C137-W148 WeakPolarHBondContact CA-O 3.49Å; G140-W148 CarbonylContact C-O 3.58Å; G140-W148 VanDerWaalsContact CA-O 3.29Å; G140-W148 WeakPolarHBondContact CA-O 3.34Å; A141-W148 HydrophobicContact CB-CZ2 4.43Å; A141-W148 PolarHBondContact N-O 3.14Å; A141-W148 PolarHBondContact O-N 3.17Å; Y146-W148 HydrophobicContact CD2-CB 4.47Å; Y146-W148 AromaticContact CD2-CD1 3.92Å; Y146-W148 AromaticContact CE2-CD1 3.53Å; Y146-W148 HydrophobicContact CE2-CG 4.34Å; W148-Q150 HydrophobicContact CE3-CB 4.41Å; W148-Q150 HydrophobicContact CE3-CG 4.35Å; W148-Q150 HydrophobicContact CZ3-CB 4.15Å; W148-Q150 VanDerWaalsContact CZ3-CD 3.48Å; W148-Q150 HydrophobicContact CZ3-CG 3.75Å; W148-Q150 VanDerWaalsContact CZ3-NE2 3.32Å; W148-I155 HydrophobicContact CD2-CD1 4.3Å; W148-I155 HydrophobicContact CE3-CD1 3.54Å; W148-I155 HydrophobicContact CE3-CG1 3.88Å; W148-I155 HydrophobicContact CZ3-CD1 3.91Å; W148-I155 HydrophobicContact CZ3-CG1 4.46Å; W148-D156 CarbonylContact C-O 3.54Å; W148-D156 WeakPolarHBondContact CA-O 3.11Å; W148-D156 WeakPolarHBondContact CB-O 3.36Å; W148-I157 HydrophobicContact CB-CG1 4.11Å; W148-W229 HydrophobicContact CH2-CB 4.44Å; W148-W229 HydrophobicContact CZ3-CB 4.41Å; W148-A232 HydrophobicContact CB-CB 4.45Å; W148-A232 HydrophobicContact CD2-CB 3.75Å; W148-A232 HydrophobicContact CE3-CB 4.26Å; W148-A232 HydrophobicContact CG-CB 3.83Å; W148-A232 HydrophobicContact CZ2-CB 4.4Å; W148-E236 PolarHBondContact NE1-OE1 2.75Å; W148-L239 HydrophobicContact CH2-CD1 3.6Å; W148-L239 HydrophobicContact CZ2-CD1 3.57Å; W148-L239 HydrophobicContact CZ2-CG 4.31Å
149S94.5Very high93.5Very high16 Ų1632 Ų3211%0.11217%0.17CC..EExtended strand (participates in β ladder)trans-127.2163.4172.453.20000109.2D136 Y138 I155 D156D136-S149 WeakPolarHBondContact O-CB 3.27Å; Y138-S149 WeakPolarHBondContact O-CA 3.29Å; Y138-S149 WeakPolarHBondContact O-CB 3.45Å; S149-I155 WeakPolarHBondContact O-CA 3.35Å; S149-I155 WeakPolarHBondContact O-CG1 3.45Å; S149-D156 PolarHBondContact N-O 3.43Å; S149-D156 PolarHBondContact O-N 2.94Å; S149-D156 WeakPolarHBondContact OG-CB 3.46Å
150Q94.3Very high93.7Very high3 Ų337.1 Ų37.11%0.01419%0.192CC..EExtended strand (participates in β ladder)trans-151.4153.4-179.357.5170.5-28.200112.7Y138 N139 W148 I155 W228 W229Y138-Q150 PolarHBondContact O-N 3.11Å; N139-Q150 HydrophobicContact CB-CG 4.16Å; N139-Q150 WeakPolarHBondContact O-CG 3.36Å; N139-Q150 PolarHBondContact O-NE2 3.17Å; W148-Q150 HydrophobicContact CE3-CB 4.41Å; W148-Q150 HydrophobicContact CE3-CG 4.35Å; W148-Q150 HydrophobicContact CZ3-CB 4.15Å; W148-Q150 VanDerWaalsContact CZ3-CD 3.48Å; W148-Q150 HydrophobicContact CZ3-CG 3.75Å; W148-Q150 VanDerWaalsContact CZ3-NE2 3.32Å; Q150-I155 HydrophobicContact CB-CB 4.41Å; Q150-I155 HydrophobicContact CB-CG1 4.33Å; Q150-W228 HydrophobicContact CG-CE3 4Å; Q150-W228 HydrophobicContact CG-CZ3 3.99Å; Q150-W228 WeakPolarHBondContact O-CZ3 3.31Å; Q150-W229 PolarHBondContact NE2-O 3.41Å
151T91Very high93.6Very high56 Ų5637.8 Ų37.834%0.34420%0.195SC..  trans-107.7-172158.472.80000109.6K153 D154 K223T151-K153 PolarHBondContact O-N 2.78Å; T151-K153 PolarHBondContact OG1-N 3.17Å; T151-K153 VanDerWaalsContact OG1-N 3.12Å; T151-D154 WeakPolarHBondContact CB-OD1 3.35Å; T151-D154 WeakPolarHBondContact CG2-OD1 3.43Å; T151-D154 PolarHBondContact N-O 3.18Å; T151-D154 VanDerWaalsContact N-O 3.09Å; T151-D154 PolarHBondContact N-OD1 3.31Å; T151-D154 PolarHBondContact OG1-N 3.48Å; T151-D154 PolarHBondContact OG1-OD1 3.29Å; T151-D154 PolarHBondContact OG1-OD2 2.81Å; T151-K223 PolarHBondContact O-NZ 3.13Å
152I91Very high93.5Very high36 Ų3639.9 Ų39.919%0.18521%0.209CC..SBendtrans-67.8-23.8171.5-162.4174.5000112.4E226 R227 W228I152-E226 HydrophobicContact CD1-CB 4.43Å; I152-E226 HydrophobicContact CG1-CB 4.14Å; I152-E226 CarbonylContact O-C 3.52Å; I152-E226 VanDerWaalsContact O-CA 3.31Å; I152-E226 WeakPolarHBondContact O-CA 3.4Å; I152-R227 PolarHBondContact O-N 2.9Å; I152-W228 HydrophobicContact CB-CZ2 4.1Å
153K91.5Very high93.3Very high78 Ų7842.6 Ų42.634%0.33922%0.22SC..SBendtrans-102.7-30.9-171.9-66.2-178.9179.3170.80114T151 K223 E226T151-K153 PolarHBondContact O-N 2.78Å; T151-K153 PolarHBondContact OG1-N 3.17Å; T151-K153 VanDerWaalsContact OG1-N 3.12Å; K153-K223 WeakPolarHBondContact O-CB 3.43Å; K153-K223 WeakPolarHBondContact O-CG 3.34Å; K153-K223 PolarHBondContact O-N 3.24Å; K153-E226 WeakPolarHBondContact CE-OE1 3.42Å; K153-E226 HydrophobicContact CG-CG 4.21Å
154D94.6Very high93Very high45 Ų4547 Ų4724%0.24125%0.247CC..EExtended strand (participates in β ladder)trans-137.9169.2-171.452.444.7000112T151 L221 K223T151-D154 WeakPolarHBondContact CB-OD1 3.35Å; T151-D154 WeakPolarHBondContact CG2-OD1 3.43Å; T151-D154 PolarHBondContact N-O 3.18Å; T151-D154 VanDerWaalsContact N-O 3.09Å; T151-D154 PolarHBondContact N-OD1 3.31Å; T151-D154 PolarHBondContact OG1-N 3.48Å; T151-D154 PolarHBondContact OG1-OD1 3.29Å; T151-D154 PolarHBondContact OG1-OD2 2.81Å; D154-L221 CarbonylContact C-O 3.54Å; D154-L221 WeakPolarHBondContact CA-O 3.36Å; D154-K223 WeakPolarHBondContact O-CE 3.45Å; D154-K223 PolarHBondContact O-NZ 3.3Å
155I96.5Very high92.9Very high0 Ų040 Ų400%021%0.21CC..EExtended strand (participates in β ladder)trans-137.4132.7173.2-172.9173.7000109.1W148 S149 Q150 I157 L221 W229 A232W148-I155 HydrophobicContact CD2-CD1 4.3Å; W148-I155 HydrophobicContact CE3-CD1 3.54Å; W148-I155 HydrophobicContact CE3-CG1 3.88Å; W148-I155 HydrophobicContact CZ3-CD1 3.91Å; W148-I155 HydrophobicContact CZ3-CG1 4.46Å; S149-I155 WeakPolarHBondContact O-CA 3.35Å; S149-I155 WeakPolarHBondContact O-CG1 3.45Å; Q150-I155 HydrophobicContact CB-CB 4.41Å; Q150-I155 HydrophobicContact CB-CG1 4.33Å; I155-I157 HydrophobicContact CD1-CD1 4.28Å; I155-I157 HydrophobicContact CD1-CG1 4.28Å; I155-I157 HydrophobicContact CG1-CG1 4.08Å; I155-L221 HydrophobicContact CG2-CB 3.76Å; I155-L221 HydrophobicContact CG2-CD1 4.15Å; I155-L221 HydrophobicContact CG2-CG 4.41Å; I155-L221 PolarHBondContact N-O 3.35Å; I155-L221 PolarHBondContact O-N 3Å; I155-W229 HydrophobicContact CD1-CD2 4.33Å; I155-W229 HydrophobicContact CD1-CE3 3.79Å; I155-W229 HydrophobicContact CD1-CZ3 4.07Å; I155-W229 HydrophobicContact CG2-CH2 4.46Å; I155-A232 HydrophobicContact CD1-CB 3.9Å
156D96.9Very high92.7Very high40 Ų4040.8 Ų40.821%0.21421%0.209CC..EExtended strand (participates in β ladder)trans-108.3124.6175.7-92.3-84.3000109W148 S149 Q218 L219 C220W148-D156 CarbonylContact C-O 3.54Å; W148-D156 WeakPolarHBondContact CA-O 3.11Å; W148-D156 WeakPolarHBondContact CB-O 3.36Å; S149-D156 PolarHBondContact N-O 3.43Å; S149-D156 PolarHBondContact O-N 2.94Å; S149-D156 WeakPolarHBondContact OG-CB 3.46Å; D156-Q218 PolarHBondContact OD1-NE2 3.35Å; D156-L219 CarbonylContact C-O 3.52Å; D156-L219 WeakPolarHBondContact CA-O 3.16Å; D156-C220 PolarHBondContact OD1-SG 3.34Å
157I97.3Very high92.5Very high0 Ų042.9 Ų42.90%023%0.23CC..EExtended strand (participates in β ladder)trans-123.5122.7-177.4-51.8178.4000109.7Y146 T147 W148 I155 I159 I179 L197 Q218 L219 L221 F233Y146-I157 HydrophobicContact CD2-CG2 4.04Å; Y146-I157 HydrophobicContact CG-CG2 4.42Å; T147-I157 CarbonylContact O-C 3.55Å; W148-I157 HydrophobicContact CB-CG1 4.11Å; I155-I157 HydrophobicContact CD1-CD1 4.28Å; I155-I157 HydrophobicContact CD1-CG1 4.28Å; I155-I157 HydrophobicContact CG1-CG1 4.08Å; I157-I159 HydrophobicContact CG2-CG1 3.98Å; I157-I179 HydrophobicContact CD1-CD1 4.12Å; I157-L197 HydrophobicContact CD1-CD2 4.09Å; I157-Q218 CarbonylContact O-C 3.51Å; I157-Q218 WeakPolarHBondContact O-CA 3.49Å; I157-L219 HydrophobicContact CB-CB 4.27Å; I157-L219 HydrophobicContact CB-CD1 4.49Å; I157-L219 PolarHBondContact N-O 3.05Å; I157-L219 PolarHBondContact O-N 3.3Å; I157-L221 HydrophobicContact CD1-CD1 3.82Å; I157-L221 HydrophobicContact CG1-CD1 4.46Å; I157-F233 HydrophobicContact CD1-CE2 3.9Å; I157-F233 HydrophobicContact CD1-CZ 3.79Å; I157-F233 HydrophobicContact CG2-CE2 4.21Å; I157-F233 HydrophobicContact CG2-CZ 4.46Å
158K96.1Very high92.3Very high24 Ų2451.4 Ų51.410%0.10426%0.26CS..EExtended strand (participates in β ladder)trans-106.8104.9175.2-60.1-172.5-173.6-170.80110.2D136 Y146 T147 I217 Q218D136-K158 IonicContact OD1-NZ 3.86Å; D136-K158 PolarHBondContact OD1-NZ 3.26Å; D136-K158 IonicContact OD2-NZ 3.79Å; D136-K158 PolarHBondContact OD2-NZ 3.43Å; Y146-K158 CarbonylContact C-O 3.59Å; Y146-K158 WeakPolarHBondContact CA-O 3.28Å; Y146-K158 WeakPolarHBondContact CB-O 3.42Å; T147-K158 PolarHBondContact N-O 3.03Å; T147-K158 PolarHBondContact O-N 2.94Å; K158-I217 CarbonylContact C-O 3.56Å; K158-I217 WeakPolarHBondContact CA-O 3.45Å; K158-Q218 HydrophobicContact CG-CB 4.44Å; K158-Q218 HydrophobicContact CG-CG 4.29Å
159I95.9Very high92Very high0 Ų053.6 Ų53.60%027%0.271CS..EExtended strand (participates in β ladder)trans-91.9127.9-180-62170000109.2I157 I179 V181 F193 Q216 I217 L219I157-I159 HydrophobicContact CG2-CG1 3.98Å; I159-I179 HydrophobicContact CD1-CG2 4.28Å; I159-V181 HydrophobicContact CD1-CG2 3.65Å; I159-F193 HydrophobicContact CD1-CB 4.09Å; I159-F193 HydrophobicContact CD1-CD1 3.84Å; I159-F193 HydrophobicContact CD1-CG 3.95Å; I159-F193 HydrophobicContact CG1-CG 4.36Å; I159-F193 HydrophobicContact CG2-CB 3.64Å; I159-F193 HydrophobicContact CG2-CG 4.19Å; I159-Q216 CarbonylContact O-C 3.5Å; I159-Q216 WeakPolarHBondContact O-CA 3.13Å; I159-Q216 WeakPolarHBondContact O-CB 3.48Å; I159-I217 PolarHBondContact N-O 3.3Å; I159-I217 PolarHBondContact O-N 3.23Å; I159-L219 HydrophobicContact CD1-CD1 3.67Å; I159-L219 HydrophobicContact CD1-CG 4.43Å
160K93.3Very high92Very high107 Ų10753.6 Ų53.647%0.46527%0.271SS..EExtended strand (participates in β ladder)trans-73.3138.7176.2-62.1175.4-170.1160.10110R143 D144 S145R143-K160 PolarHBondContact O-NZ 3.02Å; D144-K160 WeakPolarHBondContact O-CD 3.11Å; D144-K160 PolarHBondContact O-NZ 2.9Å; S145-K160 PolarHBondContact O-N 2.95Å
161I92.3Very high91.9Very high15 Ų1556.4 Ų56.48%0.07729%0.29CS..  trans-125.5162.3175.968.1152.3000111.9V165 C192 F210 N215 I217I161-V165 HydrophobicContact CD1-CB 3.94Å; I161-V165 HydrophobicContact CD1-CG1 4.07Å; I161-V165 HydrophobicContact CD1-CG2 4.29Å; I161-C192 HydrophobicContact CG2-CB 4.43Å; I161-F210 HydrophobicContact CD1-CD2 3.96Å; I161-F210 HydrophobicContact CD1-CE2 3.15Å; I161-F210 HydrophobicContact CD1-CZ 3.75Å; I161-F210 HydrophobicContact CG1-CE2 4.09Å; I161-N215 HydrophobicContact CG1-CB 4.26Å; I161-N215 WeakPolarHBondContact CG1-O 3.17Å; I161-N215 PolarHBondContact N-O 3.38Å; I161-I217 HydrophobicContact CG2-CD1 3.6Å; I161-I217 HydrophobicContact CG2-CG1 3.98Å
162P89.1Confident92.2Very high44 Ų4454.9 Ų54.929%0.28628%0.281SS..  trans-62.4152.9176.1-22.634000113.3V165 I190P162-V165 HydrophobicContact CB-CG2 4.47Å; P162-V165 WeakPolarHBondContact O-CG2 3.33Å; P162-I190 HydrophobicContact CG-CG2 4.25Å
163E88Confident92.4Very high129 Ų12956.9 Ų56.960%0.60329%0.292SS*.SBendtrans-67.5154.2175.6-55.8-172.7165.100112.9K185E163-K185 PolarHBondContact O-NZ 3.19Å
164N85.1Confident92.7Very high138 Ų13854.3 Ų54.374%0.73828%0.282SS*.SBendtrans63.850.1176.3-55.5-59.2000113.5
165V87.5Confident92.8Very high6 Ų655.9 Ų55.94%0.03629%0.288CS..  trans-110.9127.6177.8174.60000109.7I161 P162 N169 V170 V183 F210I161-V165 HydrophobicContact CD1-CB 3.94Å; I161-V165 HydrophobicContact CD1-CG1 4.07Å; I161-V165 HydrophobicContact CD1-CG2 4.29Å; P162-V165 HydrophobicContact CB-CG2 4.47Å; P162-V165 WeakPolarHBondContact O-CG2 3.33Å; V165-N169 HydrophobicContact CG1-CB 4.45Å; V165-V170 HydrophobicContact CG1-CG2 3.76Å; V165-V183 HydrophobicContact CB-CG1 4.13Å; V165-V183 HydrophobicContact CG1-CB 4.44Å; V165-V183 HydrophobicContact CG1-CG1 3.37Å; V165-V183 HydrophobicContact CG1-CG2 4.17Å; V165-V183 HydrophobicContact CG2-CG1 3.59Å; V165-F210 WeakPolarHBondContact O-CZ 3.22Å
166D87.2Confident92.8Very high78 Ų7862.3 Ų62.342%0.41731%0.312SS..  trans-79145.5170.7-69-27.2000110.4R168 N169D166-R168 HydrophobicContact CB-CG 3.87Å; D166-R168 PolarHBondContact O-N 3.1Å; D166-R168 VanDerWaalsContact O-N 3.12Å; D166-R168 IonicContact OD2-CZ 3.39Å; D166-R168 IonicContact OD2-NE 3.17Å; D166-R168 PolarHBondContact OD2-NE 3.49Å; D166-R168 VanDerWaalsContact OD2-NE 3.17Å; D166-R168 IonicContact OD2-NH2 2.78Å; D166-R168 PolarHBondContact OD2-NH2 3.46Å; D166-N169 WeakPolarHBondContact O-CB 3.4Å; D166-N169 PolarHBondContact O-N 3.14Å
167A88.3Confident92.8Very high62 Ų6264.5 Ų64.551%0.51232%0.319SS..G310 helixtrans-53.1-36.7177.900000113.7N169 V170 F210A167-N169 PolarHBondContact O-N 2.9Å; A167-V170 WeakPolarHBondContact O-CB 3.24Å; A167-V170 PolarHBondContact O-N 2.78Å; A167-F210 HydrophobicContact CB-CD1 3.65Å; A167-F210 HydrophobicContact CB-CE1 4.14Å
168R90.5Very high92.8Very high203 Ų20367 Ų6777%0.76633%0.331SS*.G310 helixtrans-64.9-18.317965.4-177.8168.5-179.7-4.9114.3D166D166-R168 HydrophobicContact CB-CG 3.87Å; D166-R168 PolarHBondContact O-N 3.1Å; D166-R168 VanDerWaalsContact O-N 3.12Å; D166-R168 IonicContact OD2-CZ 3.39Å; D166-R168 IonicContact OD2-NE 3.17Å; D166-R168 PolarHBondContact OD2-NE 3.49Å; D166-R168 VanDerWaalsContact OD2-NE 3.17Å; D166-R168 IonicContact OD2-NH2 2.78Å; D166-R168 PolarHBondContact OD2-NH2 3.46Å
169N91.9Very high92.9Very high46 Ų4665.9 Ų65.925%0.24633%0.326CS..G310 helixtrans-95.4-3.9-178.7-67.4-12.4000112V165 D166 A167 V183 Q184V165-N169 HydrophobicContact CG1-CB 4.45Å; D166-N169 WeakPolarHBondContact O-CB 3.4Å; D166-N169 PolarHBondContact O-N 3.14Å; A167-N169 PolarHBondContact O-N 2.9Å; N169-V183 CarbonylContact O-C 3.53Å; N169-V183 VanDerWaalsContact O-CA 3.32Å; N169-V183 WeakPolarHBondContact O-CA 3.29Å; N169-Q184 HydrophobicContact CB-CB 4.18Å; N169-Q184 WeakPolarHBondContact CB-O 3.29Å; N169-Q184 VanDerWaalsContact CG-O 3.28Å; N169-Q184 PolarHBondContact ND2-O 3.43Å; N169-Q184 VanDerWaalsContact ND2-O 3.12Å; N169-Q184 PolarHBondContact O-N 3.2Å
170V93.1Very high92.9Very high16 Ų1668.2 Ų68.210%0.09734%0.337CS..EExtended strand (participates in β ladder)trans-87.7128.7179.4177.90000109V165 A167 V172 V183 W208 F210 I217V165-V170 HydrophobicContact CG1-CG2 3.76Å; A167-V170 WeakPolarHBondContact O-CB 3.24Å; A167-V170 PolarHBondContact O-N 2.78Å; V170-V172 HydrophobicContact CG1-CG2 3.82Å; V170-V183 HydrophobicContact CG2-CG2 4.29Å; V170-W208 HydrophobicContact CG1-CZ3 4.29Å; V170-F210 HydrophobicContact CG2-CD1 4.38Å; V170-F210 HydrophobicContact CG2-CD2 4.35Å; V170-F210 HydrophobicContact CG2-CG 4.27Å; V170-I217 HydrophobicContact CG1-CD1 3.35Å; V170-I217 HydrophobicContact CG1-CG1 4.16Å
171S93.8Very high93Very high61 Ų6163.1 Ų63.143%0.42732%0.315SS..EExtended strand (participates in β ladder)trans-118.9121172.7-174.20000108.9V181 S182S171-V181 WeakPolarHBondContact O-CA 3.23Å; S171-S182 PolarHBondContact N-O 3.46Å; S171-S182 PolarHBondContact O-N 2.64Å
172V95.8Very high93.1Very high24 Ų2462.5 Ų62.515%0.14531%0.312CS..EExtended strand (participates in β ladder)trans-121.5118.3178.3-174.40000107.9V170 I174 V181 W208 I217 L219V170-V172 HydrophobicContact CG1-CG2 3.82Å; V172-I174 HydrophobicContact CG1-CD1 4.04Å; V172-I174 HydrophobicContact CG1-CG1 3.78Å; V172-V181 HydrophobicContact CG1-CG2 4.3Å; V172-W208 HydrophobicContact CB-CD2 4.06Å; V172-W208 HydrophobicContact CB-CG 4.16Å; V172-W208 HydrophobicContact CG1-CB 4.3Å; V172-W208 HydrophobicContact CG1-CD2 4.5Å; V172-W208 HydrophobicContact CG1-CG 4.11Å; V172-W208 HydrophobicContact CG2-CD2 3.86Å; V172-W208 HydrophobicContact CG2-CE3 3.82Å; V172-W208 HydrophobicContact CG2-CG 4.29Å; V172-W208 HydrophobicContact CG2-CZ3 4.19Å; V172-I217 HydrophobicContact CG2-CD1 4.23Å; V172-I217 HydrophobicContact CG2-CG2 4.11Å; V172-L219 HydrophobicContact CG1-CD2 3.86Å
173N96.3Very high93.3Very high78 Ų7860.4 Ų60.442%0.41730%0.298SS..EExtended strand (participates in β ladder)trans-112.1120.5172.7-172.79.7000109.3H180N173-H180 HydrophobicContact CB-CB 4.35Å; N173-H180 PolarHBondContact N-O 2.97Å; N173-H180 PolarHBondContact O-N 2.89Å
174I97.1Very high93.4Very high25 Ų2559.6 Ų59.613%0.12829%0.294CS..EExtended strand (participates in β ladder)trans-119.2111.1-177.9-51.5176.8000107.9V172 I201 A206 W208 L219 L221V172-I174 HydrophobicContact CG1-CD1 4.04Å; V172-I174 HydrophobicContact CG1-CG1 3.78Å; I174-I201 HydrophobicContact CG2-CD1 3.63Å; I174-A206 HydrophobicContact CD1-CB 4.07Å; I174-A206 HydrophobicContact CG2-CB 3.9Å; I174-W208 HydrophobicContact CD1-CB 4.35Å; I174-L219 HydrophobicContact CD1-CD2 4.06Å; I174-L221 HydrophobicContact CD1-CD2 4.28Å; I174-L221 HydrophobicContact CG2-CD2 4.14Å
175E97.3Very high93.2Very high78 Ų7856 Ų5636%0.36427%0.273SS..EExtended strand (participates in β ladder)trans-105.8172170.9-70.2-64.9173.100110.6K177 H178 K203E175-K177 PolarHBondContact O-N 2.98Å; E175-H178 HydrophobicContact CB-CB 4.28Å; E175-H178 PolarHBondContact N-O 3.27Å; E175-H178 PolarHBondContact O-N 3.42Å; E175-K203 IonicContact OE1-NZ 3.94Å; E175-K203 IonicContact OE2-NZ 2.83Å; E175-K203 PolarHBondContact OE2-NZ 3.09Å
176R96.9Very high93Very high135 Ų13562.5 Ų62.551%0.50931%0.307SS..THydrogen-bonded Turntrans-53.6-30.8-173.8-66-173.7-178.6-121.1-2.2114.3E200 I201 K203R176-E200 CarbonylContact O-C 3.54Å; R176-E200 VanDerWaalsContact O-CA 3.23Å; R176-E200 WeakPolarHBondContact O-CA 3.46Å; R176-I201 VanDerWaalsContact O-CG1 3.27Å; R176-I201 WeakPolarHBondContact O-CG1 3.31Å; R176-I201 PolarHBondContact O-N 2.96Å; R176-K203 HydrophobicContact CG-CB 4.34Å; R176-K203 HydrophobicContact CG-CD 4Å; R176-K203 HydrophobicContact CG-CG 4.38Å
177K96.9Very high92.6Very high85 Ų8569 Ų6937%0.3733%0.331SS..THydrogen-bonded Turntrans-140.316.7-175-152.5-166.8163.8-165.90112.3E175 D196 L197 E200 D234E175-K177 PolarHBondContact O-N 2.98Å; K177-D196 CarbonylContact O-C 3.43Å; K177-D196 VanDerWaalsContact O-CA 3.31Å; K177-D196 WeakPolarHBondContact O-CA 3.39Å; K177-L197 WeakPolarHBondContact CE-O 3.47Å; K177-L197 HydrophobicContact CG-CB 4.37Å; K177-L197 WeakPolarHBondContact CG-O 3.5Å; K177-L197 PolarHBondContact O-N 3.5Å; K177-E200 HydrophobicContact CB-CG 4.47Å; K177-E200 HydrophobicContact CG-CG 4.48Å; K177-D234 IonicContact NZ-OD2 2.88Å; K177-D234 PolarHBondContact NZ-OD2 3.14Å
178H97.7Very high92.4Very high54 Ų5473.4 Ų73.425%0.2534%0.339CS..EExtended strand (participates in β ladder)trans-150.4136.1-172.5-174.685.5000110.7E175 D194 D196E175-H178 HydrophobicContact CB-CB 4.28Å; E175-H178 PolarHBondContact N-O 3.27Å; E175-H178 PolarHBondContact O-N 3.42Å; H178-D194 IonicContact CE1-OD1 2.83Å; H178-D194 PolarHBondContact CE1-OD1 2.81Å; H178-D194 IonicContact ND1-OD1 4Å; H178-D194 IonicContact NE2-OD1 3.29Å; H178-D194 PolarHBondContact NE2-OD1 3.43Å; H178-D196 IonicContact CE1-OD1 3.02Å; H178-D196 IonicContact CG-OD1 3.58Å; H178-D196 IonicContact ND1-OD1 2.75Å; H178-D196 PolarHBondContact ND1-OD1 3.01Å
179I96.9Very high92.2Very high0 Ų069.8 Ų69.80%033%0.331CS..EExtended strand (participates in β ladder)trans-126.5128.8179.9-64.2173.6000108.5I157 I159 V181 F193 D194 G195 L197 L219 L221 F233I157-I179 HydrophobicContact CD1-CD1 4.12Å; I159-I179 HydrophobicContact CD1-CG2 4.28Å; I179-V181 HydrophobicContact CG2-CG2 4.09Å; I179-F193 HydrophobicContact CG2-CD1 4.33Å; I179-D194 VanDerWaalsContact O-CA 3.31Å; I179-D194 WeakPolarHBondContact O-CA 3.25Å; I179-G195 PolarHBondContact N-O 3.18Å; I179-G195 PolarHBondContact O-N 3.2Å; I179-L197 HydrophobicContact CD1-CD1 4.01Å; I179-L197 HydrophobicContact CD1-CD2 3.72Å; I179-L197 HydrophobicContact CD1-CG 4.03Å; I179-L197 HydrophobicContact CG1-CD1 4.19Å; I179-L197 HydrophobicContact CG1-CD2 4.48Å; I179-L197 HydrophobicContact CG1-CG 4.29Å; I179-L219 HydrophobicContact CD1-CD1 3.81Å; I179-L219 HydrophobicContact CG2-CD1 3.68Å; I179-L221 HydrophobicContact CD1-CD1 3.68Å; I179-F233 HydrophobicContact CB-CE1 4.22Å; I179-F233 HydrophobicContact CD1-CE1 3.99Å; I179-F233 HydrophobicContact CD1-CZ 3.94Å; I179-F233 HydrophobicContact CG1-CE1 4.44Å
180H96.1Very high91.9Very high49 Ų4970.5 Ų70.523%0.22733%0.334CS..EExtended strand (participates in β ladder)trans-127.8128.8174.4-177.492000110.4N173 F193 D194N173-H180 HydrophobicContact CB-CB 4.35Å; N173-H180 PolarHBondContact N-O 2.97Å; N173-H180 PolarHBondContact O-N 2.89Å; H180-F193 CarbonylContact C-O 3.49Å; H180-F193 WeakPolarHBondContact CA-O 3.38Å; H180-D194 IonicContact CE1-OD2 3.77Å; H180-D194 IonicContact ND1-OD2 2.64Å; H180-D194 PolarHBondContact ND1-OD2 3.35Å
181V95.7Very high91.5Very high0 Ų075.7 Ų75.70%036%0.355CS..EExtended strand (participates in β ladder)trans-129.1119.4-179.4-178.10000109.2I159 S171 V172 I179 C192 F193 I217I159-V181 HydrophobicContact CD1-CG2 3.65Å; S171-V181 WeakPolarHBondContact O-CA 3.23Å; V172-V181 HydrophobicContact CG1-CG2 4.3Å; I179-V181 HydrophobicContact CG2-CG2 4.09Å; V181-C192 HydrophobicContact CB-CB 4.4Å; V181-C192 HydrophobicContact CG1-CB 4.01Å; V181-C192 WeakPolarHBondContact O-CB 3.28Å; V181-C192 PolarHBondContact O-N 3.21Å; V181-F193 HydrophobicContact CB-CB 4.17Å; V181-F193 HydrophobicContact CG2-CB 4.47Å; V181-F193 PolarHBondContact N-O 3.15Å; V181-F193 PolarHBondContact O-N 3.15Å; V181-F193 VanDerWaalsContact O-N 3.09Å; V181-I217 HydrophobicContact CG1-CD1 3.41Å; V181-I217 VanDerWaalsContact CG1-CD1 3.41Å
182S94.1Very high91.2Very high2 Ų273.8 Ų73.81%0.01434%0.342CS..EExtended strand (participates in β ladder)trans-129.5154.4175.175.70000111.6S171 E189 I190S171-S182 PolarHBondContact N-O 3.46Å; S171-S182 PolarHBondContact O-N 2.64Å; S182-E189 VanDerWaalsContact CB-OE1 3.28Å; S182-E189 WeakPolarHBondContact CB-OE1 3.34Å; S182-E189 PolarHBondContact OG-OE1 2.91Å; S182-I190 WeakPolarHBondContact CA-O 3.41Å
183V92.5Very high91.1Very high0 Ų073.4 Ų73.40%034%0.338CS..EExtended strand (participates in β ladder)trans-129.6131.6179.9170.70000110V165 N169 V170 I190 C192V165-V183 HydrophobicContact CB-CG1 4.13Å; V165-V183 HydrophobicContact CG1-CB 4.44Å; V165-V183 HydrophobicContact CG1-CG1 3.37Å; V165-V183 HydrophobicContact CG1-CG2 4.17Å; V165-V183 HydrophobicContact CG2-CG1 3.59Å; N169-V183 CarbonylContact O-C 3.53Å; N169-V183 VanDerWaalsContact O-CA 3.32Å; N169-V183 WeakPolarHBondContact O-CA 3.29Å; V170-V183 HydrophobicContact CG2-CG2 4.29Å; V183-I190 PolarHBondContact N-O 3.22Å; V183-I190 PolarHBondContact O-N 3.44Å; V183-C192 VanDerWaalsContact CG2-SG 3.52Å
184Q89.9Confident91Very high111 Ų11173.4 Ų73.452%0.51934%0.338SS..EExtended strand (participates in β ladder)trans-87.4114.5172.8-64.7-169.4-4.900111.4N169 K188N169-Q184 HydrophobicContact CB-CB 4.18Å; N169-Q184 WeakPolarHBondContact CB-O 3.29Å; N169-Q184 VanDerWaalsContact CG-O 3.28Å; N169-Q184 PolarHBondContact ND2-O 3.43Å; N169-Q184 VanDerWaalsContact ND2-O 3.12Å; N169-Q184 PolarHBondContact O-N 3.2Å; Q184-K188 WeakPolarHBondContact CA-O 3.4Å
185K82.7Confident90.9Very high64 Ų6472.9 Ų72.928%0.27834%0.339SS..EExtended strand (participates in β ladder)trans-130.9129.1175.7-169.6171.3-178.5169.60109.7E163 K187 K188 I190E163-K185 PolarHBondContact O-NZ 3.19Å; K185-K187 VanDerWaalsContact C-N 3.26Å; K185-K187 PolarHBondContact O-N 3.2Å; K185-K188 PolarHBondContact N-O 3.32Å; K185-K188 PolarHBondContact O-N 3.08Å; K185-I190 HydrophobicContact CB-CD1 3.65Å; K185-I190 HydrophobicContact CB-CG1 4.36Å; K185-I190 HydrophobicContact CD-CD1 4.02Å; K185-I190 HydrophobicContact CG-CD1 4.37Å
186D82.2Confident90.9Very high141 Ų14173.1 Ų73.175%0.75434%0.342SS*.THydrogen-bonded Turntrans52.939.9179.7-55.3-42.3000114.2K188D186-K188 PolarHBondContact O-N 3.35Å
187K78.5Confident90.9Very high215 Ų21566.7 Ų66.794%0.93532%0.318SS*.THydrogen-bonded Turntrans61.316.2-174.9-53178.8179.5177.70114.7K185K185-K187 VanDerWaalsContact C-N 3.26Å; K185-K187 PolarHBondContact O-N 3.2Å
188K85.1Confident90.9Very high155 Ų15564 Ų6467%0.67431%0.31SS*.EExtended strand (participates in β ladder)trans-112.2139.6170.6-65.4-177.8180179.10109.4Q184 K185 D186Q184-K188 WeakPolarHBondContact CA-O 3.4Å; K185-K188 PolarHBondContact N-O 3.32Å; K185-K188 PolarHBondContact O-N 3.08Å; D186-K188 PolarHBondContact O-N 3.35Å
189E85.7Confident90.8Very high127 Ų12766.4 Ų66.459%0.59332%0.317SS*.EExtended strand (participates in β ladder)trans-80.9122.4170.2-172.9166.4-153.900108.8S182S182-E189 VanDerWaalsContact CB-OE1 3.28Å; S182-E189 WeakPolarHBondContact CB-OE1 3.34Å; S182-E189 PolarHBondContact OG-OE1 2.91Å
190I86.1Confident90.9Very high60 Ų6071 Ų7131%0.30834%0.338SS..EExtended strand (participates in β ladder)trans-102.7115.7174.6-58.8-179000107.2P162 S182 V183 K185 C192P162-I190 HydrophobicContact CG-CG2 4.25Å; S182-I190 WeakPolarHBondContact CA-O 3.41Å; V183-I190 PolarHBondContact N-O 3.22Å; V183-I190 PolarHBondContact O-N 3.44Å; K185-I190 HydrophobicContact CB-CD1 3.65Å; K185-I190 HydrophobicContact CB-CG1 4.36Å; K185-I190 HydrophobicContact CD-CD1 4.02Å; K185-I190 HydrophobicContact CG-CD1 4.37Å; I190-C192 PolarHBondContact O-N 3.43Å
191F84.5Confident90.9Very high125 Ų12568.7 Ų68.755%0.54833%0.327SS..EExtended strand (participates in β ladder)trans-65.2120.3169.8169.1-109.1000110.1F193 D194F191-F193 WeakPolarHBondContact CE2-O 3.39Å; F191-F193 VanDerWaalsContact CZ-C 3.45Å; F191-D194 HydrophobicContact CD2-CB 4.24Å; F191-D194 HydrophobicContact CE2-CB 3.17Å; F191-D194 HydrophobicContact CZ-CB 3.59Å
192C86.8Confident91Very high21 Ų2172.5 Ų72.514%0.14235%0.345CS..EExtended strand (participates in β ladder)trans-102.6-46.5177.2-61.30000111.3I161 V181 V183 I190I161-C192 HydrophobicContact CG2-CB 4.43Å; V181-C192 HydrophobicContact CB-CB 4.4Å; V181-C192 HydrophobicContact CG1-CB 4.01Å; V181-C192 WeakPolarHBondContact O-CB 3.28Å; V181-C192 PolarHBondContact O-N 3.21Å; V183-C192 VanDerWaalsContact CG2-SG 3.52Å; I190-C192 PolarHBondContact O-N 3.43Å
193F93.3Very high91Very high17 Ų1776 Ų768%0.07536%0.36CS..EExtended strand (participates in β ladder)trans-159.6138.5-177.3-172.3-87.9000112.3Y146 I159 I179 H180 V181 F191 F233Y146-F193 HydrophobicContact CD1-CD2 4.08Å; Y146-F193 AromaticContact CD1-CE2 3.37Å; Y146-F193 HydrophobicContact CD1-CE2 3.37Å; Y146-F193 HydrophobicContact CD1-CZ 4.08Å; Y146-F193 AromaticContact CE1-CE2 3.6Å; Y146-F193 HydrophobicContact CE1-CE2 3.6Å; Y146-F193 HydrophobicContact CE1-CZ 4.07Å; Y146-F193 HydrophobicContact CG-CE2 4.28Å; I159-F193 HydrophobicContact CD1-CB 4.09Å; I159-F193 HydrophobicContact CD1-CD1 3.84Å; I159-F193 HydrophobicContact CD1-CG 3.95Å; I159-F193 HydrophobicContact CG1-CG 4.36Å; I159-F193 HydrophobicContact CG2-CB 3.64Å; I159-F193 HydrophobicContact CG2-CG 4.19Å; I179-F193 HydrophobicContact CG2-CD1 4.33Å; H180-F193 CarbonylContact C-O 3.49Å; H180-F193 WeakPolarHBondContact CA-O 3.38Å; V181-F193 HydrophobicContact CB-CB 4.17Å; V181-F193 HydrophobicContact CG2-CB 4.47Å; V181-F193 PolarHBondContact N-O 3.15Å; V181-F193 PolarHBondContact O-N 3.15Å; V181-F193 VanDerWaalsContact O-N 3.09Å; F191-F193 WeakPolarHBondContact CE2-O 3.39Å; F191-F193 VanDerWaalsContact CZ-C 3.45Å; F193-F233 HydrophobicContact CD1-CZ 4.36Å; F193-F233 AromaticContact CE1-CD1 3.9Å; F193-F233 HydrophobicContact CE1-CD1 3.9Å; F193-F233 HydrophobicContact CE1-CD2 4.43Å; F193-F233 AromaticContact CE1-CE1 3.3Å; F193-F233 HydrophobicContact CE1-CE1 3.3Å; F193-F233 AromaticContact CE1-CE2 3.87Å; F193-F233 HydrophobicContact CE1-CE2 3.87Å; F193-F233 HydrophobicContact CE1-CG 4.43Å; F193-F233 AromaticContact CE1-CZ 3.26Å; F193-F233 HydrophobicContact CE1-CZ 3.26Å; F193-F233 HydrophobicContact CE2-CE2 4.39Å; F193-F233 AromaticContact CZ-CD1 3.8Å; F193-F233 HydrophobicContact CZ-CD1 3.8Å; F193-F233 AromaticContact CZ-CD2 3.73Å; F193-F233 HydrophobicContact CZ-CD2 3.73Å; F193-F233 AromaticContact CZ-CE1 3.58Å; F193-F233 HydrophobicContact CZ-CE1 3.58Å; F193-F233 AromaticContact CZ-CE2 3.46Å; F193-F233 HydrophobicContact CZ-CE2 3.46Å; F193-F233 VanDerWaalsContact CZ-CE2 3.46Å; F193-F233 AromaticContact CZ-CG 3.87Å; F193-F233 HydrophobicContact CZ-CG 3.87Å; F193-F233 AromaticContact CZ-CZ 3.38Å; F193-F233 HydrophobicContact CZ-CZ 3.38Å
194D94.5Very high91.1Very high78 Ų7882.6 Ų82.642%0.41740%0.395SS..EExtended strand (participates in β ladder)trans-153118.4178.1178.9-27.2000106.6H178 I179 H180 F191H178-D194 IonicContact CE1-OD1 2.83Å; H178-D194 PolarHBondContact CE1-OD1 2.81Å; H178-D194 IonicContact ND1-OD1 4Å; H178-D194 IonicContact NE2-OD1 3.29Å; H178-D194 PolarHBondContact NE2-OD1 3.43Å; I179-D194 VanDerWaalsContact O-CA 3.31Å; I179-D194 WeakPolarHBondContact O-CA 3.25Å; H180-D194 IonicContact CE1-OD2 3.77Å; H180-D194 IonicContact ND1-OD2 2.64Å; H180-D194 PolarHBondContact ND1-OD2 3.35Å; F191-D194 HydrophobicContact CD2-CB 4.24Å; F191-D194 HydrophobicContact CE2-CB 3.17Å; F191-D194 HydrophobicContact CZ-CB 3.59Å
195G95.3Very high91.3Very high13 Ų1381.6 Ų81.613%0.13439%0.393CS..EExtended strand (participates in β ladder)trans-162.9145.3-17500000112.8I179I179-G195 PolarHBondContact N-O 3.18Å; I179-G195 PolarHBondContact O-N 3.2Å
196D97.3Very high91.9Very high83 Ų8379.5 Ų79.544%0.44439%0.388SS..EExtended strand (participates in β ladder)trans-83129.6171.5-67.1-47.3000110.1K177 H178 F233 D234K177-D196 CarbonylContact O-C 3.43Å; K177-D196 VanDerWaalsContact O-CA 3.31Å; K177-D196 WeakPolarHBondContact O-CA 3.39Å; H178-D196 IonicContact CE1-OD1 3.02Å; H178-D196 IonicContact CG-OD1 3.58Å; H178-D196 IonicContact ND1-OD1 2.75Å; H178-D196 PolarHBondContact ND1-OD1 3.01Å; D196-F233 CarbonylContact O-C 3.5Å; D196-F233 VanDerWaalsContact O-CA 3.25Å; D196-F233 WeakPolarHBondContact O-CA 3.35Å; D196-F233 WeakPolarHBondContact O-CD1 3.41Å; D196-D234 HydrophobicContact CB-CB 4.39Å; D196-D234 PolarHBondContact O-N 3.37Å
197L97.4Very high92.6Very high0 Ų077.8 Ų77.80%038%0.378CS..BIsolated β-bridgetrans-71147.5176.4-69.3167.5000110.3I157 K177 I179 W199 I201 L221 W229 A232 F233I157-L197 HydrophobicContact CD1-CD2 4.09Å; K177-L197 WeakPolarHBondContact CE-O 3.47Å; K177-L197 HydrophobicContact CG-CB 4.37Å; K177-L197 WeakPolarHBondContact CG-O 3.5Å; K177-L197 PolarHBondContact O-N 3.5Å; I179-L197 HydrophobicContact CD1-CD1 4.01Å; I179-L197 HydrophobicContact CD1-CD2 3.72Å; I179-L197 HydrophobicContact CD1-CG 4.03Å; I179-L197 HydrophobicContact CG1-CD1 4.19Å; I179-L197 HydrophobicContact CG1-CD2 4.48Å; I179-L197 HydrophobicContact CG1-CG 4.29Å; L197-W199 WeakPolarHBondContact CB-O 3.46Å; L197-W199 PolarHBondContact O-N 3.02Å; L197-I201 HydrophobicContact CD1-CD1 4.22Å; L197-I201 HydrophobicContact CD1-CG1 3.96Å; L197-I201 HydrophobicContact CD1-CG2 3.97Å; L197-L221 HydrophobicContact CD1-CD1 4.46Å; L197-W229 HydrophobicContact CB-CH2 4.08Å; L197-W229 HydrophobicContact CB-CZ3 4.04Å; L197-W229 HydrophobicContact CD1-CH2 4.44Å; L197-W229 HydrophobicContact CD2-CH2 4.23Å; L197-W229 HydrophobicContact CD2-CZ3 3.89Å; L197-W229 HydrophobicContact CG-CH2 4.5Å; L197-W229 HydrophobicContact CG-CZ3 4.48Å; L197-A232 WeakPolarHBondContact CA-O 3.07Å; L197-A232 WeakPolarHBondContact CD2-O 3.46Å; L197-F233 HydrophobicContact CD2-CD1 4.08Å; L197-F233 HydrophobicContact CD2-CE1 3.65Å; L197-F233 HydrophobicContact CD2-CZ 4.01Å; L197-F233 HydrophobicContact CG-CE1 4.23Å
198C96.1Very high93.4Very high28 Ų2872.8 Ų72.819%0.18935%0.353CS..SBendtrans-63.6-29.4176-75.50000113.5W229 A231 A232 F233 D234C198-W229 HydrophobicContact CB-CE3 4.38Å; C198-A231 WeakPolarHBondContact CB-O 3.48Å; C198-A232 PolarHBondContact N-O 3.34Å; C198-F233 PolarHBondContact SG-O 3.37Å; C198-F233 VanDerWaalsContact SG-O 3.36Å; C198-D234 WeakPolarHBondContact CA-OD1 3.44Å; C198-D234 PolarHBondContact SG-OD1 3.35Å; C198-D234 VanDerWaalsContact SG-OD1 3.35Å
199W96.8Very high93.9Very high105 Ų10568.3 Ų68.340%0.39834%0.339SS..SBendtrans-137.9164.7-179.6-59.692.9000112L197 R227 W229L197-W199 WeakPolarHBondContact CB-O 3.46Å; L197-W199 PolarHBondContact O-N 3.02Å; W199-R227 VanDerWaalsContact CH2-CZ 3.41Å; W199-W229 HydrophobicContact CB-CD2 4.31Å; W199-W229 HydrophobicContact CB-CH2 4Å; W199-W229 HydrophobicContact CB-CZ2 3.5Å; W199-W229 VanDerWaalsContact CB-CZ2 3.5Å; W199-W229 AromaticContact CD1-CD1 3.91Å; W199-W229 AromaticContact CD1-CD2 3.75Å; W199-W229 AromaticContact CD1-CE2 3.84Å; W199-W229 AromaticContact CD1-CG 3.85Å; W199-W229 AromaticContact CD1-NE1 3.84Å; W199-W229 HydrophobicContact CG-CD2 4.41Å; W199-W229 HydrophobicContact CG-CZ2 4.4Å; W199-W229 VanDerWaalsContact O-CH2 3.28Å; W199-W229 WeakPolarHBondContact O-CH2 3.17Å
200E97.4Very high94.3Very high96 Ų9663.8 Ų63.845%0.44932%0.318SS..  trans-77.1145.9179.4-63.6-172.7-167.900113R176 K177 I224R176-E200 CarbonylContact O-C 3.54Å; R176-E200 VanDerWaalsContact O-CA 3.23Å; R176-E200 WeakPolarHBondContact O-CA 3.46Å; K177-E200 HydrophobicContact CB-CG 4.47Å; K177-E200 HydrophobicContact CG-CG 4.48Å; E200-I224 HydrophobicContact CB-CD1 3.49Å; E200-I224 VanDerWaalsContact CB-CD1 3.49Å; E200-I224 HydrophobicContact CB-CG1 4.14Å; E200-I224 PolarHBondContact O-N 3.33Å
201I97.6Very high94.6Very high1 Ų163.6 Ų63.61%0.00532%0.315CS..BIsolated β-bridgetrans-119.1160.2176.959147.9000112.2I174 R176 L197 K203 A206 L221 D222 W229I174-I201 HydrophobicContact CG2-CD1 3.63Å; R176-I201 VanDerWaalsContact O-CG1 3.27Å; R176-I201 WeakPolarHBondContact O-CG1 3.31Å; R176-I201 PolarHBondContact O-N 2.96Å; L197-I201 HydrophobicContact CD1-CD1 4.22Å; L197-I201 HydrophobicContact CD1-CG1 3.96Å; L197-I201 HydrophobicContact CD1-CG2 3.97Å; I201-K203 VanDerWaalsContact C-N 3.34Å; I201-K203 PolarHBondContact O-N 3.22Å; I201-A206 HydrophobicContact CD1-CB 4.34Å; I201-L221 HydrophobicContact CB-CB 4.49Å; I201-L221 HydrophobicContact CD1-CB 4.23Å; I201-L221 HydrophobicContact CD1-CD1 4.3Å; I201-L221 HydrophobicContact CD1-CD2 3.89Å; I201-L221 HydrophobicContact CD1-CG 4.37Å; I201-L221 HydrophobicContact CG2-CB 4.06Å; I201-D222 CarbonylContact C-O 3.54Å; I201-D222 VanDerWaalsContact CA-O 3.23Å; I201-D222 WeakPolarHBondContact CA-O 3.41Å; I201-D222 WeakPolarHBondContact CB-O 3.36Å; I201-W229 HydrophobicContact CG2-CH2 3.94Å; I201-W229 HydrophobicContact CG2-CZ2 4.11Å
202H96.2Very high94.7Very high80 Ų8061.1 Ų61.137%0.3731%0.313SS..  trans-74.283.9168.6-73.4-82.9000110.6N204 D205 A206 D222 K223H202-N204 PolarHBondContact O-N 3.44Å; H202-D205 HydrophobicContact CB-CB 4.12Å; H202-D205 WeakPolarHBondContact CB-OD2 3.46Å; H202-D205 IonicContact CG-OD2 3.17Å; H202-D205 PolarHBondContact O-N 3.1Å; H202-A206 PolarHBondContact O-N 2.68Å; H202-D222 HydrophobicContact CB-CB 4.16Å; H202-D222 PolarHBondContact N-O 2.86Å; H202-K223 PolarHBondContact CD2-O 3.4Å
203K95.6Very high94.8Very high76 Ų7669.8 Ų69.833%0.3335%0.349SS..THydrogen-bonded Turntrans-54.3-29.6-175.184.9175.7-165.5169.40115.2E175 R176 I201 D205E175-K203 IonicContact OE1-NZ 3.94Å; E175-K203 IonicContact OE2-NZ 2.83Å; E175-K203 PolarHBondContact OE2-NZ 3.09Å; R176-K203 HydrophobicContact CG-CB 4.34Å; R176-K203 HydrophobicContact CG-CD 4Å; R176-K203 HydrophobicContact CG-CG 4.38Å; I201-K203 VanDerWaalsContact C-N 3.34Å; I201-K203 PolarHBondContact O-N 3.22Å; K203-D205 VanDerWaalsContact C-N 3.29Å
204N94.9Very high94.6Very high139 Ų13974.7 Ų74.774%0.74337%0.372SS*.THydrogen-bonded Turntrans-76.4-21.1-178.1-65-18000112.4H202H202-N204 PolarHBondContact O-N 3.44Å
205D93.5Very high94.4Very high89 Ų8972.9 Ų72.948%0.47636%0.362SS..THydrogen-bonded Turntrans-100.5-5.7-179.2-54.6-38.8000111.1H202 K203 I207H202-D205 HydrophobicContact CB-CB 4.12Å; H202-D205 WeakPolarHBondContact CB-OD2 3.46Å; H202-D205 IonicContact CG-OD2 3.17Å; H202-D205 PolarHBondContact O-N 3.1Å; K203-D205 VanDerWaalsContact C-N 3.29Å; D205-I207 PolarHBondContact O-N 3.28Å
206A96Very high94.3Very high21 Ų2173.5 Ų73.517%0.17436%0.362CS..  trans-64.7128.2177.800000111.6I174 I201 H202 L221I174-A206 HydrophobicContact CD1-CB 4.07Å; I174-A206 HydrophobicContact CG2-CB 3.9Å; I201-A206 HydrophobicContact CD1-CB 4.34Å; H202-A206 PolarHBondContact O-N 2.68Å; A206-L221 HydrophobicContact CB-CD2 3.65Å
207I95.4Very high94.2Very high105 Ų10569.5 Ų69.554%0.53834%0.34SS..EExtended strand (participates in β ladder)trans-115.7141.4177.8-61.5171.5000108.7D205 L219 C220D205-I207 PolarHBondContact O-N 3.28Å; I207-L219 CarbonylContact O-C 3.48Å; I207-L219 WeakPolarHBondContact O-CA 3.32Å; I207-C220 HydrophobicContact CB-CB 4.48Å; I207-C220 PolarHBondContact N-O 3.16Å; I207-C220 PolarHBondContact O-N 2.85Å
208W96.2Very high94.2Very high109 Ų10971.7 Ų71.741%0.41335%0.35SS..EExtended strand (participates in β ladder)trans-128.1146.1170.867.9-89.7000111.4V170 V172 I174 F210 I217 Q218 L219V170-W208 HydrophobicContact CG1-CZ3 4.29Å; V172-W208 HydrophobicContact CB-CD2 4.06Å; V172-W208 HydrophobicContact CB-CG 4.16Å; V172-W208 HydrophobicContact CG1-CB 4.3Å; V172-W208 HydrophobicContact CG1-CD2 4.5Å; V172-W208 HydrophobicContact CG1-CG 4.11Å; V172-W208 HydrophobicContact CG2-CD2 3.86Å; V172-W208 HydrophobicContact CG2-CE3 3.82Å; V172-W208 HydrophobicContact CG2-CG 4.29Å; V172-W208 HydrophobicContact CG2-CZ3 4.19Å; I174-W208 HydrophobicContact CD1-CB 4.35Å; W208-F210 HydrophobicContact CZ3-CB 4.18Å; W208-I217 HydrophobicContact CE3-CG2 4.48Å; W208-Q218 CarbonylContact C-O 3.4Å; W208-Q218 WeakPolarHBondContact CA-O 3.46Å; W208-L219 HydrophobicContact CB-CD2 3.43Å; W208-L219 VanDerWaalsContact CB-CD2 3.43Å
209T94.8Very high94.3Very high61 Ų6170.3 Ų70.337%0.37434%0.341SS..EExtended strand (participates in β ladder)trans-134.6133.3179-60.10000110.1I217 Q218T209-I217 WeakPolarHBondContact O-CA 3.32Å; T209-Q218 PolarHBondContact N-O 3.16Å; T209-Q218 PolarHBondContact O-N 3.49Å
210F94.9Very high94.2Very high33 Ų3367.3 Ų67.315%0.14534%0.336CS..EExtended strand (participates in β ladder)trans-96.1120.8174.5173.2-126.1000111.5I161 V165 A167 V170 W208 Q216 I217I161-F210 HydrophobicContact CD1-CD2 3.96Å; I161-F210 HydrophobicContact CD1-CE2 3.15Å; I161-F210 HydrophobicContact CD1-CZ 3.75Å; I161-F210 HydrophobicContact CG1-CE2 4.09Å; V165-F210 WeakPolarHBondContact O-CZ 3.22Å; A167-F210 HydrophobicContact CB-CD1 3.65Å; A167-F210 HydrophobicContact CB-CE1 4.14Å; V170-F210 HydrophobicContact CG2-CD1 4.38Å; V170-F210 HydrophobicContact CG2-CD2 4.35Å; V170-F210 HydrophobicContact CG2-CG 4.27Å; W208-F210 HydrophobicContact CZ3-CB 4.18Å; F210-Q216 WeakPolarHBondContact CD2-O 3.44Å; F210-I217 HydrophobicContact CD2-CG1 3.93Å
211H91.9Very high94.3Very high55 Ų5562.8 Ų62.826%0.25532%0.315SS..EExtended strand (participates in β ladder)trans-10387.8179-63.3-69.8000110.5K213 E214 N215 Q216 Q218H211-K213 VanDerWaalsContact C-N 3.27Å; H211-K213 PolarHBondContact O-N 3.18Å; H211-E214 HydrophobicContact CB-CB 4.34Å; H211-E214 PolarHBondContact O-N 3.42Å; H211-E214 VanDerWaalsContact O-N 3.13Å; H211-N215 PolarHBondContact O-N 2.98Å; H211-Q216 HydrophobicContact CB-CG 3.8Å; H211-Q216 PolarHBondContact N-O 2.96Å; H211-Q216 PolarHBondContact O-N 3.04Å; H211-Q218 PolarHBondContact NE2-OE1 2.93Å
212S87.5Confident94.2Very high73 Ų7366 Ų6651%0.5133%0.332SS..THydrogen-bonded Turntrans-58.2-32.7-175.5176.50000114.4N215S212-N215 PolarHBondContact O-OD1 2.84Å
213K87.9Confident94.2Very high203 Ų20362.8 Ų62.888%0.88332%0.317SS*.THydrogen-bonded Turntrans-72.1-29.9179.5-67.9-176179.8178.80113.5H211H211-K213 VanDerWaalsContact C-N 3.27Å; H211-K213 PolarHBondContact O-N 3.18Å
214E89.3Confident94.2Very high120 Ų12062.1 Ų62.156%0.56132%0.316SS*.THydrogen-bonded Turntrans-102.5-0.2-175.2-67.8174.6-153.400111.5H211 Q216H211-E214 HydrophobicContact CB-CB 4.34Å; H211-E214 PolarHBondContact O-N 3.42Å; H211-E214 VanDerWaalsContact O-N 3.13Å; E214-Q216 VanDerWaalsContact C-N 3.27Å; E214-Q216 HydrophobicContact CB-CG 3.88Å; E214-Q216 PolarHBondContact O-N 3.06Å; E214-Q216 PolarHBondContact OE2-NE2 3.09Å
215N91Very high94.1Very high41 Ų4160.9 Ų60.922%0.21931%0.306CS..THydrogen-bonded Turntrans48.748.8-175.7-56.9-54.4000111.9I161 H211 S212I161-N215 HydrophobicContact CG1-CB 4.26Å; I161-N215 WeakPolarHBondContact CG1-O 3.17Å; I161-N215 PolarHBondContact N-O 3.38Å; H211-N215 PolarHBondContact O-N 2.98Å; S212-N215 PolarHBondContact O-OD1 2.84Å
216Q93.5Very high94Very high25 Ų2562.1 Ų62.112%0.11731%0.309CS..EExtended strand (participates in β ladder)trans-140.1155.1-179.269.1-175.47.700112.6I159 F210 H211 E214I159-Q216 CarbonylContact O-C 3.5Å; I159-Q216 WeakPolarHBondContact O-CA 3.13Å; I159-Q216 WeakPolarHBondContact O-CB 3.48Å; F210-Q216 WeakPolarHBondContact CD2-O 3.44Å; H211-Q216 HydrophobicContact CB-CG 3.8Å; H211-Q216 PolarHBondContact N-O 2.96Å; H211-Q216 PolarHBondContact O-N 3.04Å; E214-Q216 VanDerWaalsContact C-N 3.27Å; E214-Q216 HydrophobicContact CB-CG 3.88Å; E214-Q216 PolarHBondContact O-N 3.06Å; E214-Q216 PolarHBondContact OE2-NE2 3.09Å
217I95.4Very high93.8Very high0 Ų064.8 Ų64.80%032%0.315CS..EExtended strand (participates in β ladder)trans-112.3122.2170-66.4163.3000107.5K158 I159 I161 V170 V172 V181 W208 T209 F210 L219K158-I217 CarbonylContact C-O 3.56Å; K158-I217 WeakPolarHBondContact CA-O 3.45Å; I159-I217 PolarHBondContact N-O 3.3Å; I159-I217 PolarHBondContact O-N 3.23Å; I161-I217 HydrophobicContact CG2-CD1 3.6Å; I161-I217 HydrophobicContact CG2-CG1 3.98Å; V170-I217 HydrophobicContact CG1-CD1 3.35Å; V170-I217 HydrophobicContact CG1-CG1 4.16Å; V172-I217 HydrophobicContact CG2-CD1 4.23Å; V172-I217 HydrophobicContact CG2-CG2 4.11Å; V181-I217 HydrophobicContact CG1-CD1 3.41Å; V181-I217 VanDerWaalsContact CG1-CD1 3.41Å; W208-I217 HydrophobicContact CE3-CG2 4.48Å; T209-I217 WeakPolarHBondContact O-CA 3.32Å; F210-I217 HydrophobicContact CD2-CG1 3.93Å; I217-L219 HydrophobicContact CG2-CD2 3.82Å; I217-L219 HydrophobicContact CG2-CG 4.47Å
218Q96.4Very high93.7Very high45 Ų4562.2 Ų62.221%0.2130%0.298CS..EExtended strand (participates in β ladder)trans-95.3132.9173.7-177.7177.8-5.800109.6D156 I157 K158 W208 T209 H211D156-Q218 PolarHBondContact OD1-NE2 3.35Å; I157-Q218 CarbonylContact O-C 3.51Å; I157-Q218 WeakPolarHBondContact O-CA 3.49Å; K158-Q218 HydrophobicContact CG-CB 4.44Å; K158-Q218 HydrophobicContact CG-CG 4.29Å; W208-Q218 CarbonylContact C-O 3.4Å; W208-Q218 WeakPolarHBondContact CA-O 3.46Å; T209-Q218 PolarHBondContact N-O 3.16Å; T209-Q218 PolarHBondContact O-N 3.49Å; H211-Q218 PolarHBondContact NE2-OE1 2.93Å
219L97.3Very high93.6Very high0 Ų057.1 Ų57.10%028%0.279CS..EExtended strand (participates in β ladder)trans-117123.4175.4-50.5178.5000108.1D156 I157 I159 V172 I174 I179 I207 W208 I217 L221D156-L219 CarbonylContact C-O 3.52Å; D156-L219 WeakPolarHBondContact CA-O 3.16Å; I157-L219 HydrophobicContact CB-CB 4.27Å; I157-L219 HydrophobicContact CB-CD1 4.49Å; I157-L219 PolarHBondContact N-O 3.05Å; I157-L219 PolarHBondContact O-N 3.3Å; I159-L219 HydrophobicContact CD1-CD1 3.67Å; I159-L219 HydrophobicContact CD1-CG 4.43Å; V172-L219 HydrophobicContact CG1-CD2 3.86Å; I174-L219 HydrophobicContact CD1-CD2 4.06Å; I179-L219 HydrophobicContact CD1-CD1 3.81Å; I179-L219 HydrophobicContact CG2-CD1 3.68Å; I207-L219 CarbonylContact O-C 3.48Å; I207-L219 WeakPolarHBondContact O-CA 3.32Å; W208-L219 HydrophobicContact CB-CD2 3.43Å; W208-L219 VanDerWaalsContact CB-CD2 3.43Å; I217-L219 HydrophobicContact CG2-CD2 3.82Å; I217-L219 HydrophobicContact CG2-CG 4.47Å; L219-L221 HydrophobicContact CB-CD1 4.45Å; L219-L221 HydrophobicContact CB-CD2 4.11Å; L219-L221 HydrophobicContact CB-CG 4.2Å
220C96.8Very high93.6Very high41 Ų4158 Ų5828%0.27728%0.279SS..EExtended strand (participates in β ladder)trans-107.3114.4173.8-54.40000107.5D156 I207D156-C220 PolarHBondContact OD1-SG 3.34Å; I207-C220 HydrophobicContact CB-CB 4.48Å; I207-C220 PolarHBondContact N-O 3.16Å; I207-C220 PolarHBondContact O-N 2.85Å
221L97.4Very high93.6Very high1 Ų156.6 Ų56.61%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-126.8123-168.4-47.2173.8000111.3D154 I155 I157 I174 I179 L197 I201 A206 L219D154-L221 CarbonylContact C-O 3.54Å; D154-L221 WeakPolarHBondContact CA-O 3.36Å; I155-L221 HydrophobicContact CG2-CB 3.76Å; I155-L221 HydrophobicContact CG2-CD1 4.15Å; I155-L221 HydrophobicContact CG2-CG 4.41Å; I155-L221 PolarHBondContact N-O 3.35Å; I155-L221 PolarHBondContact O-N 3Å; I157-L221 HydrophobicContact CD1-CD1 3.82Å; I157-L221 HydrophobicContact CG1-CD1 4.46Å; I174-L221 HydrophobicContact CD1-CD2 4.28Å; I174-L221 HydrophobicContact CG2-CD2 4.14Å; I179-L221 HydrophobicContact CD1-CD1 3.68Å; L197-L221 HydrophobicContact CD1-CD1 4.46Å; I201-L221 HydrophobicContact CB-CB 4.49Å; I201-L221 HydrophobicContact CD1-CB 4.23Å; I201-L221 HydrophobicContact CD1-CD1 4.3Å; I201-L221 HydrophobicContact CD1-CD2 3.89Å; I201-L221 HydrophobicContact CD1-CG 4.37Å; I201-L221 HydrophobicContact CG2-CB 4.06Å; A206-L221 HydrophobicContact CB-CD2 3.65Å; L219-L221 HydrophobicContact CB-CD1 4.45Å; L219-L221 HydrophobicContact CB-CD2 4.11Å; L219-L221 HydrophobicContact CB-CG 4.2Å
222D96.3Very high93.8Very high70 Ų7054 Ų5437%0.37426%0.261SS..EExtended strand (participates in β ladder)trans-81.8131.4175.4-72.6-15.3000111.4I201 H202I201-D222 CarbonylContact C-O 3.54Å; I201-D222 VanDerWaalsContact CA-O 3.23Å; I201-D222 WeakPolarHBondContact CA-O 3.41Å; I201-D222 WeakPolarHBondContact CB-O 3.36Å; H202-D222 HydrophobicContact CB-CB 4.16Å; H202-D222 PolarHBondContact N-O 2.86Å
223K96.7Very high94.2Very high12 Ų1251 Ų515%0.05224%0.239CC..BIsolated β-bridgetrans-78.6141.5179.6-59.8168.5173.8172.70110.1T151 K153 D154 H202 Q225 R227 W229T151-K223 PolarHBondContact O-NZ 3.13Å; K153-K223 WeakPolarHBondContact O-CB 3.43Å; K153-K223 WeakPolarHBondContact O-CG 3.34Å; K153-K223 PolarHBondContact O-N 3.24Å; D154-K223 WeakPolarHBondContact O-CE 3.45Å; D154-K223 PolarHBondContact O-NZ 3.3Å; H202-K223 PolarHBondContact CD2-O 3.4Å; K223-Q225 VanDerWaalsContact C-N 3.28Å; K223-Q225 PolarHBondContact O-N 2.94Å; K223-R227 PolarHBondContact NZ-O 3.13Å; K223-W229 VanDerWaalsContact CE-NE1 3.31Å; K223-W229 HydrophobicContact CG-CZ2 4.04Å
224I94.6Very high94.5Very high62 Ų6245.4 Ų45.432%0.31822%0.219SC..SBendtrans-68.3-30.9173-64-172.4000112E200E200-I224 HydrophobicContact CB-CD1 3.49Å; E200-I224 VanDerWaalsContact CB-CD1 3.49Å; E200-I224 HydrophobicContact CB-CG1 4.14Å; E200-I224 PolarHBondContact O-N 3.33Å
225Q93Very high94.6Very high112 Ų11243.9 Ų43.952%0.52324%0.235SC..SBendtrans-124.7128.6-179.4-63.9177.55.600109.2K223 R227K223-Q225 VanDerWaalsContact C-N 3.28Å; K223-Q225 PolarHBondContact O-N 2.94Å; Q225-R227 PolarHBondContact O-N 2.9Å
226E90.9Very high94.6Very high116 Ų11643.1 Ų43.154%0.54223%0.231SC..  trans-58.9104.9171.8-71.7-161.7179.600109.8I152 K153 R248I152-E226 HydrophobicContact CD1-CB 4.43Å; I152-E226 HydrophobicContact CG1-CB 4.14Å; I152-E226 CarbonylContact O-C 3.52Å; I152-E226 VanDerWaalsContact O-CA 3.31Å; I152-E226 WeakPolarHBondContact O-CA 3.4Å; K153-E226 WeakPolarHBondContact CE-OE1 3.42Å; K153-E226 HydrophobicContact CG-CG 4.21Å; E226-R248 IonicContact OE2-NH1 2.76Å; E226-R248 PolarHBondContact OE2-NH1 3.38Å
227R92.6Very high94.5Very high77 Ų7748.1 Ų48.129%0.29126%0.258SS..  trans-161.5153.9-177.980.7-170.4-47.8147.111.9113.1I152 W199 K223 Q225I152-R227 PolarHBondContact O-N 2.9Å; W199-R227 VanDerWaalsContact CH2-CZ 3.41Å; K223-R227 PolarHBondContact NZ-O 3.13Å; Q225-R227 PolarHBondContact O-N 2.9Å
228W93.1Very high94.3Very high51 Ų5155.2 Ų55.219%0.19329%0.289CS..  trans-82.4122.9166.8-63.6106.6000110.1N139 Q150 I152 T241 I244 C246N139-W228 HydrophobicContact CB-CE3 4.43Å; N139-W228 HydrophobicContact CB-CZ3 3.82Å; N139-W228 WeakPolarHBondContact ND2-CH2 3.41Å; Q150-W228 HydrophobicContact CG-CE3 4Å; Q150-W228 HydrophobicContact CG-CZ3 3.99Å; Q150-W228 WeakPolarHBondContact O-CZ3 3.31Å; I152-W228 HydrophobicContact CB-CZ2 4.1Å; W228-T241 HydrophobicContact CB-CG2 3.94Å; W228-I244 HydrophobicContact CD2-CG2 4.07Å; W228-I244 HydrophobicContact CE3-CG2 3.84Å; W228-I244 HydrophobicContact CH2-CG2 4.4Å; W228-I244 HydrophobicContact CZ3-CG2 4.01Å; W228-C246 HydrophobicContact CZ2-CB 4.38Å; W228-C246 PolarHBondContact NE1-SG 3.04Å
229W94.6Very high93.9Very high1 Ų153.9 Ų53.90%0.00428%0.283CS..  trans-82.5133.6176.7-71.931.6000108.9W148 Q150 I155 L197 C198 W199 I201 K223 A231 A232W148-W229 HydrophobicContact CH2-CB 4.44Å; W148-W229 HydrophobicContact CZ3-CB 4.41Å; Q150-W229 PolarHBondContact NE2-O 3.41Å; I155-W229 HydrophobicContact CD1-CD2 4.33Å; I155-W229 HydrophobicContact CD1-CE3 3.79Å; I155-W229 HydrophobicContact CD1-CZ3 4.07Å; I155-W229 HydrophobicContact CG2-CH2 4.46Å; L197-W229 HydrophobicContact CB-CH2 4.08Å; L197-W229 HydrophobicContact CB-CZ3 4.04Å; L197-W229 HydrophobicContact CD1-CH2 4.44Å; L197-W229 HydrophobicContact CD2-CH2 4.23Å; L197-W229 HydrophobicContact CD2-CZ3 3.89Å; L197-W229 HydrophobicContact CG-CH2 4.5Å; L197-W229 HydrophobicContact CG-CZ3 4.48Å; C198-W229 HydrophobicContact CB-CE3 4.38Å; W199-W229 HydrophobicContact CB-CD2 4.31Å; W199-W229 HydrophobicContact CB-CH2 4Å; W199-W229 HydrophobicContact CB-CZ2 3.5Å; W199-W229 VanDerWaalsContact CB-CZ2 3.5Å; W199-W229 AromaticContact CD1-CD1 3.91Å; W199-W229 AromaticContact CD1-CD2 3.75Å; W199-W229 AromaticContact CD1-CE2 3.84Å; W199-W229 AromaticContact CD1-CG 3.85Å; W199-W229 AromaticContact CD1-NE1 3.84Å; W199-W229 HydrophobicContact CG-CD2 4.41Å; W199-W229 HydrophobicContact CG-CZ2 4.4Å; W199-W229 VanDerWaalsContact O-CH2 3.28Å; W199-W229 WeakPolarHBondContact O-CH2 3.17Å; I201-W229 HydrophobicContact CG2-CH2 3.94Å; I201-W229 HydrophobicContact CG2-CZ2 4.11Å; K223-W229 VanDerWaalsContact CE-NE1 3.31Å; K223-W229 HydrophobicContact CG-CZ2 4.04Å; W229-A231 VanDerWaalsContact C-N 3.3Å; W229-A232 WeakPolarHBondContact CZ3-O 3.21Å
230E94.2Very high93.3Very high80 Ų8056.6 Ų56.637%0.37430%0.297SS..SBendtrans-76-25.9173.2-64.7173.9172.800110.9K238 L239 T241E230-K238 HydrophobicContact CB-CB 4.1Å; E230-K238 HydrophobicContact CB-CD 4.46Å; E230-K238 HydrophobicContact CB-CG 4.11Å; E230-K238 CarbonylContact O-C 3.51Å; E230-K238 WeakPolarHBondContact O-CA 3.39Å; E230-K238 WeakPolarHBondContact OE2-CD 3.47Å; E230-K238 IonicContact OE2-NZ 3.49Å; E230-K238 PolarHBondContact OE2-NZ 3.06Å; E230-L239 WeakPolarHBondContact O-CB 3.3Å; E230-L239 PolarHBondContact O-N 2.77Å; E230-T241 HydrophobicContact CB-CG2 4.45Å; E230-T241 HydrophobicContact CG-CG2 3.66Å
231A95.3Very high92.7Very high4 Ų456.3 Ų56.33%0.03330%0.295CS..  trans-153.3149.8-179.400000108.2C198 W229 E236C198-A231 WeakPolarHBondContact CB-O 3.48Å; W229-A231 VanDerWaalsContact C-N 3.3Å; A231-E236 HydrophobicContact CB-CB 3.89Å; A231-E236 HydrophobicContact CB-CG 4.36Å
232A95.5Very high92Very high0 Ų067.4 Ų67.40%034%0.337CS..SBendtrans-73.8-44.9173.200000110.6Y146 W148 I155 L197 C198 W229 E236Y146-A232 HydrophobicContact CE2-CB 4.09Å; W148-A232 HydrophobicContact CB-CB 4.45Å; W148-A232 HydrophobicContact CD2-CB 3.75Å; W148-A232 HydrophobicContact CE3-CB 4.26Å; W148-A232 HydrophobicContact CG-CB 3.83Å; W148-A232 HydrophobicContact CZ2-CB 4.4Å; I155-A232 HydrophobicContact CD1-CB 3.9Å; L197-A232 WeakPolarHBondContact CA-O 3.07Å; L197-A232 WeakPolarHBondContact CD2-O 3.46Å; C198-A232 PolarHBondContact N-O 3.34Å; W229-A232 WeakPolarHBondContact CZ3-O 3.21Å; A232-E236 PolarHBondContact N-OE2 2.91Å
233F96.8Very high91.2Very high9 Ų967.9 Ų67.94%0.03934%0.335CS..BIsolated β-bridgetrans-122.6151-174.9-63.2-86.3000113.2Y146 I157 I179 F193 D196 L197 C198 G235 E236Y146-F233 HydrophobicContact CD2-CD2 4.36Å; Y146-F233 HydrophobicContact CD2-CE2 4.01Å; Y146-F233 AromaticContact CE1-CD2 4Å; Y146-F233 HydrophobicContact CE1-CD2 4Å; Y146-F233 HydrophobicContact CE1-CE2 4.28Å; Y146-F233 AromaticContact CE2-CD2 3.61Å; Y146-F233 HydrophobicContact CE2-CD2 3.61Å; Y146-F233 AromaticContact CE2-CE2 3.72Å; Y146-F233 HydrophobicContact CE2-CE2 3.72Å; Y146-F233 HydrophobicContact CG-CE2 4.42Å; Y146-F233 AromaticContact CZ-CD2 3.41Å; Y146-F233 VanDerWaalsContact CZ-CD2 3.41Å; Y146-F233 AromaticContact CZ-CE2 3.88Å; Y146-F233 WeakPolarHBondContact OH-CD2 3.45Å; I157-F233 HydrophobicContact CD1-CE2 3.9Å; I157-F233 HydrophobicContact CD1-CZ 3.79Å; I157-F233 HydrophobicContact CG2-CE2 4.21Å; I157-F233 HydrophobicContact CG2-CZ 4.46Å; I179-F233 HydrophobicContact CB-CE1 4.22Å; I179-F233 HydrophobicContact CD1-CE1 3.99Å; I179-F233 HydrophobicContact CD1-CZ 3.94Å; I179-F233 HydrophobicContact CG1-CE1 4.44Å; F193-F233 HydrophobicContact CD1-CZ 4.36Å; F193-F233 AromaticContact CE1-CD1 3.9Å; F193-F233 HydrophobicContact CE1-CD1 3.9Å; F193-F233 HydrophobicContact CE1-CD2 4.43Å; F193-F233 AromaticContact CE1-CE1 3.3Å; F193-F233 HydrophobicContact CE1-CE1 3.3Å; F193-F233 AromaticContact CE1-CE2 3.87Å; F193-F233 HydrophobicContact CE1-CE2 3.87Å; F193-F233 HydrophobicContact CE1-CG 4.43Å; F193-F233 AromaticContact CE1-CZ 3.26Å; F193-F233 HydrophobicContact CE1-CZ 3.26Å; F193-F233 HydrophobicContact CE2-CE2 4.39Å; F193-F233 AromaticContact CZ-CD1 3.8Å; F193-F233 HydrophobicContact CZ-CD1 3.8Å; F193-F233 AromaticContact CZ-CD2 3.73Å; F193-F233 HydrophobicContact CZ-CD2 3.73Å; F193-F233 AromaticContact CZ-CE1 3.58Å; F193-F233 HydrophobicContact CZ-CE1 3.58Å; F193-F233 AromaticContact CZ-CE2 3.46Å; F193-F233 HydrophobicContact CZ-CE2 3.46Å; F193-F233 VanDerWaalsContact CZ-CE2 3.46Å; F193-F233 AromaticContact CZ-CG 3.87Å; F193-F233 HydrophobicContact CZ-CG 3.87Å; F193-F233 AromaticContact CZ-CZ 3.38Å; F193-F233 HydrophobicContact CZ-CZ 3.38Å; D196-F233 CarbonylContact O-C 3.5Å; D196-F233 VanDerWaalsContact O-CA 3.25Å; D196-F233 WeakPolarHBondContact O-CA 3.35Å; D196-F233 WeakPolarHBondContact O-CD1 3.41Å; L197-F233 HydrophobicContact CD2-CD1 4.08Å; L197-F233 HydrophobicContact CD2-CE1 3.65Å; L197-F233 HydrophobicContact CD2-CZ 4.01Å; L197-F233 HydrophobicContact CG-CE1 4.23Å; C198-F233 PolarHBondContact SG-O 3.37Å; C198-F233 VanDerWaalsContact SG-O 3.36Å; F233-G235 PolarHBondContact O-N 2.87Å; F233-E236 PolarHBondContact N-OE2 3.42Å; F233-E236 VanDerWaalsContact O-CB 3.26Å; F233-E236 WeakPolarHBondContact O-CB 3.29Å; F233-E236 PolarHBondContact O-N 3.18Å
234D94.9Very high90.6Very high87 Ų8767.8 Ų67.847%0.46534%0.335SS..THydrogen-bonded Turntrans-60.5129.1177-77.8-19.7000110.5K177 D196 C198K177-D234 IonicContact NZ-OD2 2.88Å; K177-D234 PolarHBondContact NZ-OD2 3.14Å; D196-D234 HydrophobicContact CB-CB 4.39Å; D196-D234 PolarHBondContact O-N 3.37Å; C198-D234 WeakPolarHBondContact CA-OD1 3.44Å; C198-D234 PolarHBondContact SG-OD1 3.35Å; C198-D234 VanDerWaalsContact SG-OD1 3.35Å
235G90.2Very high89.8Confident88 Ų8867.8 Ų67.891%0.90734%0.336SS*.THydrogen-bonded Turntrans90.7-3.2-178.500000115.6F233F233-G235 PolarHBondContact O-N 2.87Å
236E90.4Very high89.2Confident25 Ų2565.9 Ų65.912%0.11733%0.334CS..SBendtrans-73.4152.8172.2-171.6-165.8161.200112.1R143 Y146 W148 A231 A232 F233 K238R143-E236 IonicContact CZ-OE1 2.64Å; R143-E236 IonicContact NE-OE1 3.49Å; R143-E236 PolarHBondContact NE-OE1 3.24Å; R143-E236 IonicContact NH2-OE1 2.7Å; R143-E236 PolarHBondContact NH2-OE1 3.4Å; Y146-E236 VanDerWaalsContact OH-CD 3.24Å; Y146-E236 PolarHBondContact OH-OE2 3.29Å; W148-E236 PolarHBondContact NE1-OE1 2.75Å; A231-E236 HydrophobicContact CB-CB 3.89Å; A231-E236 HydrophobicContact CB-CG 4.36Å; A232-E236 PolarHBondContact N-OE2 2.91Å; F233-E236 PolarHBondContact N-OE2 3.42Å; F233-E236 VanDerWaalsContact O-CB 3.26Å; F233-E236 WeakPolarHBondContact O-CB 3.29Å; F233-E236 PolarHBondContact O-N 3.18Å; E236-K238 PolarHBondContact O-N 2.88Å
237D91.6Very high88.6Confident130 Ų13064.3 Ų64.370%0.69534%0.336SS*.PPolyproline II helixtrans-60.2128.2169.9-71.6-40.3000111.8R143R143-D237 PolarHBondContact NH2-O 3.36Å; R143-D237 VanDerWaalsContact NH2-O 3.1Å
238K92Very high87.9Confident149 Ų14964.7 Ų64.765%0.64834%0.337SS*.PPolyproline II helixtrans-82.8128.8-173.2-70.6179.3166.3-139.50112.7E230 E236E230-K238 HydrophobicContact CB-CB 4.1Å; E230-K238 HydrophobicContact CB-CD 4.46Å; E230-K238 HydrophobicContact CB-CG 4.11Å; E230-K238 CarbonylContact O-C 3.51Å; E230-K238 WeakPolarHBondContact O-CA 3.39Å; E230-K238 WeakPolarHBondContact OE2-CD 3.47Å; E230-K238 IonicContact OE2-NZ 3.49Å; E230-K238 PolarHBondContact OE2-NZ 3.06Å; E236-K238 PolarHBondContact O-N 2.88Å
239L87.8Confident87Confident17 Ų1763.6 Ų63.69%0.08934%0.337CS..PPolyproline II helixtrans-69.8145.8168.1-59.7177000111.6L128 G140 A141 W148 E230 T241L128-L239 HydrophobicContact CD2-CD2 4.02Å; G140-L239 VanDerWaalsContact O-CD1 3.29Å; G140-L239 WeakPolarHBondContact O-CD1 3.41Å; A141-L239 HydrophobicContact CB-CD2 4.26Å; W148-L239 HydrophobicContact CH2-CD1 3.6Å; W148-L239 HydrophobicContact CZ2-CD1 3.57Å; W148-L239 HydrophobicContact CZ2-CG 4.31Å; E230-L239 WeakPolarHBondContact O-CB 3.3Å; E230-L239 PolarHBondContact O-N 2.77Å; L239-T241 PolarHBondContact O-N 3.01Å; L239-T241 VanDerWaalsContact O-N 3.14Å
240N85.5Confident85.9Confident56 Ų5667 Ų6730%0.29935%0.354SS..  trans-82.790.6171-169-22.1000110.5L128 R242 K243L128-N240 HydrophobicContact CD1-CB 4.46Å; N240-R242 PolarHBondContact O-N 3.3Å; N240-R242 WeakPolarHBondContact OD1-CB 3.35Å; N240-R242 PolarHBondContact OD1-N 3.2Å; N240-K243 HydrophobicContact CB-CD 4.37Å; N240-K243 PolarHBondContact O-N 3.07Å
241T84.4Confident85.1Confident36 Ų3669.5 Ų69.522%0.22137%0.365CS..G310 helixtrans-57.3-17.1-178.752.80000114.8W228 E230 L239 K243 I244W228-T241 HydrophobicContact CB-CG2 3.94Å; E230-T241 HydrophobicContact CB-CG2 4.45Å; E230-T241 HydrophobicContact CG-CG2 3.66Å; L239-T241 PolarHBondContact O-N 3.01Å; L239-T241 VanDerWaalsContact O-N 3.14Å; T241-K243 VanDerWaalsContact C-N 3.27Å; T241-K243 PolarHBondContact O-N 3.43Å; T241-I244 HydrophobicContact CG2-CD1 4.03Å
242R81.9Confident84.3Confident234 Ų23472.9 Ų72.988%0.88338%0.38SS*.G310 helixtrans-75.1-15176.6-58.4-176.3179.9-176.3-0.1114N240N240-R242 PolarHBondContact O-N 3.3Å; N240-R242 WeakPolarHBondContact OD1-CB 3.35Å; N240-R242 PolarHBondContact OD1-N 3.2Å
243K80.4Confident83.6Confident79 Ų7974 Ų7434%0.34339%0.386SS..G310 helixtrans-106.6-3-179.3-62.7178.5-176.7169.30112.8N125 L128 Q132 N240 T241N125-K243 WeakPolarHBondContact OD1-CD 3.46Å; N125-K243 WeakPolarHBondContact OD1-CE 3.5Å; N125-K243 PolarHBondContact OD1-NZ 3.36Å; L128-K243 HydrophobicContact CD1-CB 3.91Å; L128-K243 HydrophobicContact CD1-CD 4.05Å; Q132-K243 PolarHBondContact NE2-O 2.93Å; N240-K243 HydrophobicContact CB-CD 4.37Å; N240-K243 PolarHBondContact O-N 3.07Å; T241-K243 VanDerWaalsContact C-N 3.27Å; T241-K243 PolarHBondContact O-N 3.43Å
244I82.7Confident83Confident10 Ų1077.9 Ų77.95%0.05141%0.407CS..SBendtrans-70.8145.5179-69.8-172.2000109.4N139 W228 T241 C246N139-I244 HydrophobicContact CB-CG2 3.64Å; N139-I244 WeakPolarHBondContact ND2-CG2 3.31Å; N139-I244 VanDerWaalsContact OD1-CG2 3.23Å; N139-I244 WeakPolarHBondContact OD1-CG2 3.31Å; W228-I244 HydrophobicContact CD2-CG2 4.07Å; W228-I244 HydrophobicContact CE3-CG2 3.84Å; W228-I244 HydrophobicContact CH2-CG2 4.4Å; W228-I244 HydrophobicContact CZ3-CG2 4.01Å; T241-I244 HydrophobicContact CG2-CD1 4.03Å; I244-C246 PolarHBondContact O-N 3.49Å; I244-C246 PolarHBondContact O-SG 3.14Å
245D78.9Confident82.6Confident62 Ų6280.2 Ų80.233%0.33242%0.42SS..  trans-74.6107.5174.4178.910.3000108.6Y138 N139 S247Y138-D245 VanDerWaalsContact OH-CG 3.27Å; Y138-D245 PolarHBondContact OH-OD2 3.46Å; N139-D245 PolarHBondContact ND2-O 3.24Å; N139-D245 PolarHBondContact OD1-N 2.88Å; D245-S247 VanDerWaalsContact C-N 3.3Å; D245-S247 VanDerWaalsContact CG-OG 3.31Å; D245-S247 WeakPolarHBondContact OD1-CB 3.38Å; D245-S247 PolarHBondContact OD1-N 2.78Å; D245-S247 PolarHBondContact OD1-OG 3.21Å; D245-S247 PolarHBondContact OD2-OG 2.87Å
246C80.7Confident82.6Confident73 Ų7382 Ų8249%0.49340%0.404SS..  trans-92.511.3179.5-55.90000112.7W228 I244W228-C246 HydrophobicContact CZ2-CB 4.38Å; W228-C246 PolarHBondContact NE1-SG 3.04Å; I244-C246 PolarHBondContact O-N 3.49Å; I244-C246 PolarHBondContact O-SG 3.14Å
247S78.4Confident82.4Confident83 Ų8382 Ų8258%0.5841%0.409SS*.  trans-65.3137.2-18069.10000110.6D245D245-S247 VanDerWaalsContact C-N 3.3Å; D245-S247 VanDerWaalsContact CG-OG 3.31Å; D245-S247 WeakPolarHBondContact OD1-CB 3.38Å; D245-S247 PolarHBondContact OD1-N 2.78Å; D245-S247 PolarHBondContact OD1-OG 3.21Å; D245-S247 PolarHBondContact OD2-OG 2.87Å
248R76.6Confident82.2Confident84 Ų8477.7 Ų77.732%0.31738%0.384SS..  trans-140.7149.8174.562.5-174.8179.3164.714.8110.2E226 L253E226-R248 IonicContact OE2-NH1 2.76Å; E226-R248 PolarHBondContact OE2-NH1 3.38Å; R248-L253 HydrophobicContact CG-CD2 3.72Å
249P73.4Confident82Confident29 Ų2973.1 Ų73.119%0.18837%0.374CS..  trans-55.7143.1175.9-2534000112.2H251 E252P249-H251 WeakPolarHBondContact CB-CE1 3.29Å; P249-H251 VanDerWaalsContact CB-ND1 3.31Å; P249-H251 WeakPolarHBondContact CB-ND1 3.33Å; P249-H251 PolarHBondContact O-N 3.09Å; P249-H251 VanDerWaalsContact O-N 3.11Å; P249-E252 HydrophobicContact CB-CG 4.36Å; P249-E252 HydrophobicContact CG-CG 4.48Å; P249-E252 PolarHBondContact O-N 2.94Å
250M71.5Confident82.1Confident72 Ų7277.5 Ų77.536%0.35539%0.393SS..G310 helixtrans-50.9-39.4179.4-170.959.355.400113E252 L253 Q258 I261M250-E252 PolarHBondContact O-N 3.04Å; M250-L253 HydrophobicContact CE-CD1 4.44Å; M250-L253 VanDerWaalsContact O-CB 3.29Å; M250-L253 WeakPolarHBondContact O-CB 3.44Å; M250-L253 VanDerWaalsContact O-CG 3.29Å; M250-L253 WeakPolarHBondContact O-CG 3.34Å; M250-L253 PolarHBondContact O-N 3.44Å; M250-L253 HydrophobicContact SD-CD1 3.6Å; M250-L253 VanDerWaalsContact SD-CD1 3.6Å; M250-Q258 HydrophobicContact CG-CG 4.38Å; M250-Q258 VanDerWaalsContact O-CG 3.24Å; M250-Q258 WeakPolarHBondContact O-CG 3.48Å; M250-Q258 PolarHBondContact O-NE2 3.48Å; M250-Q258 HydrophobicContact SD-CG 4.46Å; M250-I261 HydrophobicContact CE-CB 3.71Å; M250-I261 HydrophobicContact CE-CD1 3.63Å; M250-I261 HydrophobicContact CE-CG1 4.22Å; M250-I261 HydrophobicContact CE-CG2 3.2Å; M250-I261 HydrophobicContact SD-CB 3.73Å; M250-I261 HydrophobicContact SD-CD1 3.51Å; M250-I261 VanDerWaalsContact SD-CD1 3.51Å; M250-I261 HydrophobicContact SD-CG1 4.21Å; M250-I261 HydrophobicContact SD-CG2 3.93Å
251H79.3Confident82.1Confident133 Ų13377.4 Ų77.462%0.61639%0.392SS*.G310 helixtrans-72.1-14.5-17468.6-92.4000113.8P249 L253 Q258P249-H251 WeakPolarHBondContact CB-CE1 3.29Å; P249-H251 VanDerWaalsContact CB-ND1 3.31Å; P249-H251 WeakPolarHBondContact CB-ND1 3.33Å; P249-H251 PolarHBondContact O-N 3.09Å; P249-H251 VanDerWaalsContact O-N 3.11Å; H251-L253 VanDerWaalsContact C-N 3.35Å; H251-Q258 PolarHBondContact O-NE2 3.02Å
252E77.3Confident82.3Confident75 Ų7581.2 Ų81.235%0.3541%0.407SS..G310 helixtrans-86.2-10.6174.8-66-177.5-168.600113.1P249 M250P249-E252 HydrophobicContact CB-CG 4.36Å; P249-E252 HydrophobicContact CG-CG 4.48Å; P249-E252 PolarHBondContact O-N 2.94Å; M250-E252 PolarHBondContact O-N 3.04Å
253L80.6Confident82.7Confident23 Ų2373.5 Ų73.512%0.1238%0.381CS..SBendtrans-74.1155.3174.2-51.4-177000110.2R248 M250 H251 A257 Q258 I261R248-L253 HydrophobicContact CG-CD2 3.72Å; M250-L253 HydrophobicContact CE-CD1 4.44Å; M250-L253 VanDerWaalsContact O-CB 3.29Å; M250-L253 WeakPolarHBondContact O-CB 3.44Å; M250-L253 VanDerWaalsContact O-CG 3.29Å; M250-L253 WeakPolarHBondContact O-CG 3.34Å; M250-L253 PolarHBondContact O-N 3.44Å; M250-L253 HydrophobicContact SD-CD1 3.6Å; M250-L253 VanDerWaalsContact SD-CD1 3.6Å; H251-L253 VanDerWaalsContact C-N 3.35Å; L253-A257 HydrophobicContact CB-CB 4Å; L253-A257 HydrophobicContact CD1-CB 4.4Å; L253-Q258 HydrophobicContact CB-CG 3.87Å; L253-Q258 PolarHBondContact O-NE2 3.01Å; L253-I261 HydrophobicContact CD1-CD1 3.26Å
254D85.6Confident83.2Confident90 Ų9075.1 Ų75.148%0.48139%0.393SS..  trans-63.8156.6169.56278.1000111.9E256 A257 Q258D254-E256 PolarHBondContact O-N 3.19Å; D254-E256 VanDerWaalsContact O-N 3.14Å; D254-E256 WeakPolarHBondContact OD1-CB 3.37Å; D254-E256 PolarHBondContact OD1-N 3.35Å; D254-A257 PolarHBondContact O-N 3.37Å; D254-A257 VanDerWaalsContact O-N 3.1Å; D254-A257 WeakPolarHBondContact OD1-CB 3.01Å; D254-A257 PolarHBondContact OD1-N 3.12Å; D254-Q258 WeakPolarHBondContact O-CG 3.37Å; D254-Q258 PolarHBondContact O-N 3.5Å
255D86.1Confident83.5Confident136 Ų13680.2 Ų80.273%0.72742%0.418SS*.Hα-helixtrans-56.2-33.3-175.5-67.8-17.4000112.9A259D255-A259 VanDerWaalsContact O-CB 3.28Å; D255-A259 WeakPolarHBondContact O-CB 3.35Å; D255-A259 PolarHBondContact O-N 3.26Å
256E89.6Confident84Confident125 Ų12582.5 Ų82.558%0.58442%0.423SS*.Hα-helixtrans-70-45.1179-171-172.4157.400111.1D254 A259 K260D254-E256 PolarHBondContact O-N 3.19Å; D254-E256 VanDerWaalsContact O-N 3.14Å; D254-E256 WeakPolarHBondContact OD1-CB 3.37Å; D254-E256 PolarHBondContact OD1-N 3.35Å; E256-A259 PolarHBondContact O-N 2.95Å; E256-K260 WeakPolarHBondContact O-CG 3.29Å; E256-K260 PolarHBondContact O-N 2.74Å; E256-K260 VanDerWaalsContact OE1-CE 3.31Å; E256-K260 WeakPolarHBondContact OE1-CE 3.45Å; E256-K260 IonicContact OE1-NZ 2.65Å; E256-K260 PolarHBondContact OE1-NZ 3.29Å
257A86.9Confident84.5Confident25 Ų2579.7 Ų79.721%0.20740%0.403CS..Hα-helixtrans-64.3-42.8175.100000111.5L253 D254 K260 I261L253-A257 HydrophobicContact CB-CB 4Å; L253-A257 HydrophobicContact CD1-CB 4.4Å; D254-A257 PolarHBondContact O-N 3.37Å; D254-A257 VanDerWaalsContact O-N 3.1Å; D254-A257 WeakPolarHBondContact OD1-CB 3.01Å; D254-A257 PolarHBondContact OD1-N 3.12Å; A257-K260 PolarHBondContact O-N 2.83Å; A257-I261 WeakPolarHBondContact O-CG1 3.31Å; A257-I261 PolarHBondContact O-N 3.08Å
258Q86.1Confident85Confident40 Ų4080.4 Ų80.419%0.18740%0.397CS..Hα-helixtrans-58.8-48.4174.2-68.4-171.325.300111.5M250 H251 L253 D254 K260 I261 Q262M250-Q258 HydrophobicContact CG-CG 4.38Å; M250-Q258 VanDerWaalsContact O-CG 3.24Å; M250-Q258 WeakPolarHBondContact O-CG 3.48Å; M250-Q258 PolarHBondContact O-NE2 3.48Å; M250-Q258 HydrophobicContact SD-CG 4.46Å; H251-Q258 PolarHBondContact O-NE2 3.02Å; L253-Q258 HydrophobicContact CB-CG 3.87Å; L253-Q258 PolarHBondContact O-NE2 3.01Å; D254-Q258 WeakPolarHBondContact O-CG 3.37Å; D254-Q258 PolarHBondContact O-N 3.5Å; Q258-K260 VanDerWaalsContact C-N 3.34Å; Q258-K260 PolarHBondContact O-N 3.44Å; Q258-I261 PolarHBondContact O-N 2.98Å; Q258-Q262 WeakPolarHBondContact O-CG 3.42Å; Q258-Q262 PolarHBondContact O-N 3.26Å
259A88.7Confident85.7Confident53 Ų5382 Ų8244%0.43841%0.408SS..Hα-helixtrans-60.7-42.5179.500000112D255 E256 I261 Q262 Q263D255-A259 VanDerWaalsContact O-CB 3.28Å; D255-A259 WeakPolarHBondContact O-CB 3.35Å; D255-A259 PolarHBondContact O-N 3.26Å; E256-A259 PolarHBondContact O-N 2.95Å; A259-I261 PolarHBondContact O-N 3.22Å; A259-Q262 PolarHBondContact O-N 3Å; A259-Q263 WeakPolarHBondContact O-CB 3.46Å; A259-Q263 PolarHBondContact O-N 3.39Å
260K89.3Confident86.5Confident109 Ų10981.7 Ų81.747%0.47440%0.403SS..Hα-helixtrans-61.5-43.3175.6-75.8172.7-172.91650111.9E256 A257 Q258 Q263 L264E256-K260 WeakPolarHBondContact O-CG 3.29Å; E256-K260 PolarHBondContact O-N 2.74Å; E256-K260 VanDerWaalsContact OE1-CE 3.31Å; E256-K260 WeakPolarHBondContact OE1-CE 3.45Å; E256-K260 IonicContact OE1-NZ 2.65Å; E256-K260 PolarHBondContact OE1-NZ 3.29Å; A257-K260 PolarHBondContact O-N 2.83Å; Q258-K260 VanDerWaalsContact C-N 3.34Å; Q258-K260 PolarHBondContact O-N 3.44Å; K260-Q263 WeakPolarHBondContact O-CB 3.33Å; K260-Q263 PolarHBondContact O-N 2.87Å; K260-L264 WeakPolarHBondContact O-CG 3.48Å; K260-L264 PolarHBondContact O-N 2.65Å
261I86.6Confident87.4Confident55 Ų5584.8 Ų84.828%0.28241%0.414SS..Hα-helixtrans-70.9-39.6-179.2-61.2161.6000110.9M250 L253 A257 Q258 A259 Q263 L264 M265M250-I261 HydrophobicContact CE-CB 3.71Å; M250-I261 HydrophobicContact CE-CD1 3.63Å; M250-I261 HydrophobicContact CE-CG1 4.22Å; M250-I261 HydrophobicContact CE-CG2 3.2Å; M250-I261 HydrophobicContact SD-CB 3.73Å; M250-I261 HydrophobicContact SD-CD1 3.51Å; M250-I261 VanDerWaalsContact SD-CD1 3.51Å; M250-I261 HydrophobicContact SD-CG1 4.21Å; M250-I261 HydrophobicContact SD-CG2 3.93Å; L253-I261 HydrophobicContact CD1-CD1 3.26Å; A257-I261 WeakPolarHBondContact O-CG1 3.31Å; A257-I261 PolarHBondContact O-N 3.08Å; Q258-I261 PolarHBondContact O-N 2.98Å; A259-I261 PolarHBondContact O-N 3.22Å; I261-Q263 VanDerWaalsContact C-N 3.3Å; I261-Q263 PolarHBondContact O-N 2.92Å; I261-L264 PolarHBondContact O-N 2.81Å; I261-M265 HydrophobicContact CG2-CG 4.27Å; I261-M265 HydrophobicContact CG2-SD 4.27Å; I261-M265 WeakPolarHBondContact O-CG 3.4Å; I261-M265 PolarHBondContact O-N 3.49Å
262Q88.3Confident87.9Confident116 Ų11687.9 Ų87.954%0.54242%0.421SS..Hα-helixtrans-58.8-42.8172.1-71.5175.911.100111.8Q258 A259 M265 Y266Q258-Q262 WeakPolarHBondContact O-CG 3.42Å; Q258-Q262 PolarHBondContact O-N 3.26Å; A259-Q262 PolarHBondContact O-N 3Å; Q262-M265 PolarHBondContact O-N 3.46Å; Q262-Y266 WeakPolarHBondContact O-CB 3.27Å; Q262-Y266 PolarHBondContact O-N 3.11Å
263Q90.6Very high88.5Confident72 Ų7290.1 Ų90.134%0.33643%0.431SS..Hα-helixtrans-59.2-46.7174.2-174.5-174.5-29.700111.4A259 K260 I261 Y266 D267 I278A259-Q263 WeakPolarHBondContact O-CB 3.46Å; A259-Q263 PolarHBondContact O-N 3.39Å; K260-Q263 WeakPolarHBondContact O-CB 3.33Å; K260-Q263 PolarHBondContact O-N 2.87Å; I261-Q263 VanDerWaalsContact C-N 3.3Å; I261-Q263 PolarHBondContact O-N 2.92Å; Q263-Y266 PolarHBondContact O-N 3.49Å; Q263-D267 WeakPolarHBondContact O-CB 3.43Å; Q263-D267 PolarHBondContact O-N 3.37Å; Q263-I278 HydrophobicContact CG-CD1 3.83Å
264L90.4Very high88.8Confident113 Ų11392.3 Ų92.359%0.59246%0.459SS*.Hα-helixtrans-62.7-42.6178.1-72.3170.9000112.3K260 I261 D267 E268K260-L264 WeakPolarHBondContact O-CG 3.48Å; K260-L264 PolarHBondContact O-N 2.65Å; I261-L264 PolarHBondContact O-N 2.81Å; L264-D267 PolarHBondContact O-N 3.33Å; L264-E268 WeakPolarHBondContact O-CB 3.27Å; L264-E268 PolarHBondContact O-N 2.93Å
265M89.3Confident88.9Confident116 Ų11691.9 Ų91.957%0.57146%0.456SS*.Hα-helixtrans-62.7-42.8176.5-72.1179.869.800111.6I261 Q262 E268 Q269I261-M265 HydrophobicContact CG2-CG 4.27Å; I261-M265 HydrophobicContact CG2-SD 4.27Å; I261-M265 WeakPolarHBondContact O-CG 3.4Å; I261-M265 PolarHBondContact O-N 3.49Å; Q262-M265 PolarHBondContact O-N 3.46Å; M265-E268 PolarHBondContact O-N 3.14Å; M265-Q269 PolarHBondContact O-N 3.3Å
266Y88.4Confident88.9Confident111 Ų11186.7 Ų86.744%0.43543%0.431SS..Hα-helixtrans-63.1-45.5176.2-179.4-96.1000111.6Q262 Q263 E268 Q269 R270 I278Q262-Y266 WeakPolarHBondContact O-CB 3.27Å; Q262-Y266 PolarHBondContact O-N 3.11Å; Q263-Y266 PolarHBondContact O-N 3.49Å; Y266-E268 VanDerWaalsContact C-N 3.34Å; Y266-E268 PolarHBondContact O-N 3.15Å; Y266-Q269 PolarHBondContact O-N 2.78Å; Y266-R270 HydrophobicContact CD1-CG 4.41Å; Y266-R270 HydrophobicContact CE1-CG 4.1Å; Y266-R270 WeakPolarHBondContact O-CG 3.48Å; Y266-R270 PolarHBondContact O-N 2.88Å; Y266-I278 HydrophobicContact CD1-CD1 3.34Å; Y266-I278 HydrophobicContact CD1-CG1 3.55Å; Y266-I278 HydrophobicContact CE1-CD1 3.73Å; Y266-I278 HydrophobicContact CE1-CG1 3.49Å; Y266-I278 VanDerWaalsContact CE1-CG1 3.49Å; Y266-I278 HydrophobicContact CG-CD1 4.27Å
267D92.4Very high89Confident14 Ų1481.2 Ų81.28%0.07541%0.405CS..Hα-helixtrans-63.5-38.3176.7-79.7-15.2000112.2Q263 L264 R270 K271 T277 I278Q263-D267 WeakPolarHBondContact O-CB 3.43Å; Q263-D267 PolarHBondContact O-N 3.37Å; L264-D267 PolarHBondContact O-N 3.33Å; D267-R270 PolarHBondContact O-N 2.95Å; D267-K271 WeakPolarHBondContact O-CB 3.43Å; D267-K271 VanDerWaalsContact O-CG 3.31Å; D267-K271 WeakPolarHBondContact O-CG 3.41Å; D267-K271 PolarHBondContact O-N 3.42Å; D267-T277 HydrophobicContact CB-CG2 3.91Å; D267-T277 WeakPolarHBondContact OD1-CA 3.43Å; D267-T277 WeakPolarHBondContact OD1-CB 3.31Å; D267-I278 PolarHBondContact OD1-N 2.84Å
268E88.1Confident88.9Confident98 Ų9882 Ų8246%0.45841%0.405SS..Hα-helixtrans-63.8-43.7174.5-169.3-176.6168.500111.5L264 M265 Y266 R270 K271 R272L264-E268 WeakPolarHBondContact O-CB 3.27Å; L264-E268 PolarHBondContact O-N 2.93Å; M265-E268 PolarHBondContact O-N 3.14Å; Y266-E268 VanDerWaalsContact C-N 3.34Å; Y266-E268 PolarHBondContact O-N 3.15Å; E268-R270 PolarHBondContact O-N 3.12Å; E268-K271 PolarHBondContact O-N 3.2Å; E268-R272 WeakPolarHBondContact O-CG 3.35Å; E268-R272 PolarHBondContact O-N 3.32Å; E268-R272 IonicContact OE1-CZ 2.86Å; E268-R272 IonicContact OE1-NE 3.21Å; E268-R272 PolarHBondContact OE1-NE 3.38Å; E268-R272 IonicContact OE1-NH2 2.83Å; E268-R272 PolarHBondContact OE1-NH2 3.47Å
269Q90.7Very high88.9Confident118 Ų11886.2 Ų86.255%0.55143%0.425SS*.Hα-helixtrans-62.2-42.6176.8-176.4172-1.900111.8M265 Y266 R272 Q273M265-Q269 PolarHBondContact O-N 3.3Å; Y266-Q269 PolarHBondContact O-N 2.78Å; Q269-R272 PolarHBondContact O-N 2.81Å; Q269-Q273 WeakPolarHBondContact O-CG 3.35Å; Q269-Q273 PolarHBondContact O-N 2.69Å
270R90.7Very high88.8Confident22 Ų2288.3 Ų88.38%0.08343%0.426CS..Hα-helixtrans-65-44.9176-72.7-171.378.5-175.911112.3Y266 D267 E268 R272 Q273 G274 L275 P276 E281Y266-R270 HydrophobicContact CD1-CG 4.41Å; Y266-R270 HydrophobicContact CE1-CG 4.1Å; Y266-R270 WeakPolarHBondContact O-CG 3.48Å; Y266-R270 PolarHBondContact O-N 2.88Å; D267-R270 PolarHBondContact O-N 2.95Å; E268-R270 PolarHBondContact O-N 3.12Å; R270-R272 VanDerWaalsContact C-N 3.29Å; R270-R272 PolarHBondContact O-N 2.95Å; R270-Q273 CarbonylContact O-C 3.42Å; R270-Q273 WeakPolarHBondContact O-CA 3.46Å; R270-Q273 WeakPolarHBondContact O-CB 3.25Å; R270-Q273 PolarHBondContact O-N 3.14Å; R270-G274 PolarHBondContact O-N 3.34Å; R270-G274 VanDerWaalsContact O-N 3.09Å; R270-L275 CarbonylContact C-O 3.55Å; R270-L275 HydrophobicContact CB-CB 3.97Å; R270-L275 HydrophobicContact CG-CB 4.34Å; R270-L275 PolarHBondContact O-N 3.39Å; R270-P276 WeakPolarHBondContact CD-O 3.38Å; R270-P276 PolarHBondContact NE-O 3.16Å; R270-P276 PolarHBondContact NH1-O 3.29Å; R270-P276 VanDerWaalsContact NH1-O 3.08Å; R270-P276 PolarHBondContact NH2-O 3.38Å; R270-E281 IonicContact CZ-OE2 3.47Å; R270-E281 IonicContact NH1-OE2 3.38Å; R270-E281 PolarHBondContact NH1-OE2 2.82Å; R270-E281 IonicContact NH2-OE2 3.91Å; R270-E281 PolarHBondContact NH2-OE2 3.35Å
271K91.3Very high88.7Confident136 Ų13686.7 Ų86.759%0.59142%0.42SS*.Hα-helixtrans-56.2-43174.5-78.6175.5178.2171.30111.9D267 E268 Q273 G274 T277D267-K271 WeakPolarHBondContact O-CB 3.43Å; D267-K271 VanDerWaalsContact O-CG 3.31Å; D267-K271 WeakPolarHBondContact O-CG 3.41Å; D267-K271 PolarHBondContact O-N 3.42Å; E268-K271 PolarHBondContact O-N 3.2Å; K271-Q273 PolarHBondContact O-N 2.9Å; K271-G274 PolarHBondContact O-N 2.99Å; K271-T277 HydrophobicContact CD-CG2 4.22Å; K271-T277 HydrophobicContact CG-CG2 4.08Å
272R88.9Confident88.8Confident199 Ų19990.1 Ų90.175%0.75143%0.433SS*.Hα-helixtrans-63.3-27.6175.4-72.9-179.6-175.8-172.53.8113.2E268 Q269 R270 G274E268-R272 WeakPolarHBondContact O-CG 3.35Å; E268-R272 PolarHBondContact O-N 3.32Å; E268-R272 IonicContact OE1-CZ 2.86Å; E268-R272 IonicContact OE1-NE 3.21Å; E268-R272 PolarHBondContact OE1-NE 3.38Å; E268-R272 IonicContact OE1-NH2 2.83Å; E268-R272 PolarHBondContact OE1-NH2 3.47Å; Q269-R272 PolarHBondContact O-N 2.81Å; R270-R272 VanDerWaalsContact C-N 3.29Å; R270-R272 PolarHBondContact O-N 2.95Å; R272-G274 VanDerWaalsContact C-N 3.35Å
273Q89.7Confident88.7Confident121 Ų12188.8 Ų88.857%0.56543%0.428SS*.THydrogen-bonded Turntrans-88.50.5175.1-66.2175.20.500113.2Q269 R270 K271 L275Q269-Q273 WeakPolarHBondContact O-CG 3.35Å; Q269-Q273 PolarHBondContact O-N 2.69Å; R270-Q273 CarbonylContact O-C 3.42Å; R270-Q273 WeakPolarHBondContact O-CA 3.46Å; R270-Q273 WeakPolarHBondContact O-CB 3.25Å; R270-Q273 PolarHBondContact O-N 3.14Å; K271-Q273 PolarHBondContact O-N 2.9Å; Q273-L275 HydrophobicContact CB-CD1 4.16Å; Q273-L275 HydrophobicContact CB-CG 4.15Å; Q273-L275 PolarHBondContact O-N 3.49Å
274G87.2Confident88.5Confident69 Ų6989 Ų8971%0.71143%0.429SS*.THydrogen-bonded Turntrans70.813.4-17400000114.2R270 K271 R272R270-G274 PolarHBondContact O-N 3.34Å; R270-G274 VanDerWaalsContact O-N 3.09Å; K271-G274 PolarHBondContact O-N 2.99Å; R272-G274 VanDerWaalsContact C-N 3.35Å
275L88.5Confident88.3Confident81 Ų8187.9 Ų87.942%0.42442%0.423SS..PPolyproline II helixtrans-87.4151.9175.9-64.9173.8000110.5R270 Q273R270-L275 CarbonylContact C-O 3.55Å; R270-L275 HydrophobicContact CB-CB 3.97Å; R270-L275 HydrophobicContact CG-CB 4.34Å; R270-L275 PolarHBondContact O-N 3.39Å; Q273-L275 HydrophobicContact CB-CD1 4.16Å; Q273-L275 HydrophobicContact CB-CG 4.15Å; Q273-L275 PolarHBondContact O-N 3.49Å
276P86.2Confident88.2Confident28 Ų2887.7 Ų87.718%0.18242%0.424CS..PPolyproline II helixtrans-62.8154.5176.425.4-33.2000111.7R270 Q280 E281R270-P276 WeakPolarHBondContact CD-O 3.38Å; R270-P276 PolarHBondContact NE-O 3.16Å; R270-P276 PolarHBondContact NH1-O 3.29Å; R270-P276 VanDerWaalsContact NH1-O 3.08Å; R270-P276 PolarHBondContact NH2-O 3.38Å; P276-Q280 HydrophobicContact CB-CB 3.61Å; P276-E281 HydrophobicContact CG-CB 4.41Å
277T89.6Confident88.2Confident9 Ų983.4 Ų83.46%0.05541%0.408CS..PPolyproline II helixtrans-67.5168.7167.861.70000111.8D267 K271 E279 Q280 E281D267-T277 HydrophobicContact CB-CG2 3.91Å; D267-T277 WeakPolarHBondContact OD1-CA 3.43Å; D267-T277 WeakPolarHBondContact OD1-CB 3.31Å; K271-T277 HydrophobicContact CD-CG2 4.22Å; K271-T277 HydrophobicContact CG-CG2 4.08Å; T277-E279 PolarHBondContact O-N 3.47Å; T277-Q280 PolarHBondContact O-N 3.19Å; T277-Q280 VanDerWaalsContact O-N 3.15Å; T277-Q280 WeakPolarHBondContact OG1-CB 3.4Å; T277-Q280 VanDerWaalsContact OG1-CG 3.27Å; T277-Q280 WeakPolarHBondContact OG1-CG 3.48Å; T277-Q280 PolarHBondContact OG1-N 3.42Å; T277-Q280 VanDerWaalsContact OG1-N 3.14Å; T277-E281 WeakPolarHBondContact O-CB 3.41Å; T277-E281 PolarHBondContact O-N 2.89Å
278I86.7Confident87.8Confident41 Ų4183.9 Ų83.921%0.2141%0.414CS..Hα-helixtrans-53.5-43.4172-70.5165.4000110.8Q263 Y266 D267 K282Q263-I278 HydrophobicContact CG-CD1 3.83Å; Y266-I278 HydrophobicContact CD1-CD1 3.34Å; Y266-I278 HydrophobicContact CD1-CG1 3.55Å; Y266-I278 HydrophobicContact CE1-CD1 3.73Å; Y266-I278 HydrophobicContact CE1-CG1 3.49Å; Y266-I278 VanDerWaalsContact CE1-CG1 3.49Å; Y266-I278 HydrophobicContact CG-CD1 4.27Å; D267-I278 PolarHBondContact OD1-N 2.84Å; I278-K282 HydrophobicContact CG2-CD 4.12Å; I278-K282 WeakPolarHBondContact O-CB 3.4Å; I278-K282 VanDerWaalsContact O-CG 3.27Å; I278-K282 WeakPolarHBondContact O-CG 3.34Å; I278-K282 PolarHBondContact O-N 2.97Å
279E85.4Confident87.7Confident129 Ų12986.7 Ų86.760%0.60343%0.427SS*.Hα-helixtrans-66.1-42.6177.8-69.3-177.6177.500112.4T277 K282 M283T277-E279 PolarHBondContact O-N 3.47Å; E279-K282 PolarHBondContact O-N 3.04Å; E279-M283 WeakPolarHBondContact O-CB 3.48Å; E279-M283 PolarHBondContact O-N 3.31Å
280Q87.2Confident87.5Confident98 Ų9883.7 Ų83.746%0.45842%0.422SS..Hα-helixtrans-66.7-38.6177.6-72.9171.7-23.700111.9P276 T277 M283 Q284P276-Q280 HydrophobicContact CB-CB 3.61Å; T277-Q280 PolarHBondContact O-N 3.19Å; T277-Q280 VanDerWaalsContact O-N 3.15Å; T277-Q280 WeakPolarHBondContact OG1-CB 3.4Å; T277-Q280 VanDerWaalsContact OG1-CG 3.27Å; T277-Q280 WeakPolarHBondContact OG1-CG 3.48Å; T277-Q280 PolarHBondContact OG1-N 3.42Å; T277-Q280 VanDerWaalsContact OG1-N 3.14Å; Q280-M283 WeakPolarHBondContact O-CB 3.46Å; Q280-M283 PolarHBondContact O-N 3.35Å; Q280-Q284 WeakPolarHBondContact O-CB 3.27Å; Q280-Q284 VanDerWaalsContact O-CG 3.28Å; Q280-Q284 WeakPolarHBondContact O-CG 3.28Å; Q280-Q284 PolarHBondContact O-N 2.83Å
281E87.2Confident87.2Confident74 Ų7483.2 Ų83.235%0.34642%0.42SS..Hα-helixtrans-67.1-43.9174.9179.9174.6-171.300111.4R270 P276 T277 M283 Q284 N285R270-E281 IonicContact CZ-OE2 3.47Å; R270-E281 IonicContact NH1-OE2 3.38Å; R270-E281 PolarHBondContact NH1-OE2 2.82Å; R270-E281 IonicContact NH2-OE2 3.91Å; R270-E281 PolarHBondContact NH2-OE2 3.35Å; P276-E281 HydrophobicContact CG-CB 4.41Å; T277-E281 WeakPolarHBondContact O-CB 3.41Å; T277-E281 PolarHBondContact O-N 2.89Å; E281-M283 VanDerWaalsContact C-N 3.27Å; E281-M283 PolarHBondContact O-N 3.22Å; E281-Q284 PolarHBondContact O-N 3.39Å; E281-N285 WeakPolarHBondContact O-CB 3.45Å; E281-N285 VanDerWaalsContact O-CG 3.28Å; E281-N285 PolarHBondContact O-N 3.24Å; E281-N285 PolarHBondContact O-ND2 3.45Å
282K87.8Confident86.8Confident127 Ų12780.7 Ų80.755%0.55241%0.413SS*.Hα-helixtrans-56.7-44.9171.9-76.7174.3-179.1176.70110.7I278 E279 N285 I286I278-K282 HydrophobicContact CG2-CD 4.12Å; I278-K282 WeakPolarHBondContact O-CB 3.4Å; I278-K282 VanDerWaalsContact O-CG 3.27Å; I278-K282 WeakPolarHBondContact O-CG 3.34Å; I278-K282 PolarHBondContact O-N 2.97Å; E279-K282 PolarHBondContact O-N 3.04Å; K282-N285 PolarHBondContact O-N 2.87Å; K282-I286 VanDerWaalsContact O-CG1 3.25Å; K282-I286 WeakPolarHBondContact O-CG1 3.28Å; K282-I286 PolarHBondContact O-N 3.18Å
283M86.8Confident86.5Confident89 Ų8978.6 Ų78.644%0.43841%0.41SS..Hα-helixtrans-60.4-48.1175.8-170.670.571.700111.5E279 Q280 E281 N285 I286 L287 L310E279-M283 WeakPolarHBondContact O-CB 3.48Å; E279-M283 PolarHBondContact O-N 3.31Å; Q280-M283 WeakPolarHBondContact O-CB 3.46Å; Q280-M283 PolarHBondContact O-N 3.35Å; E281-M283 VanDerWaalsContact C-N 3.27Å; E281-M283 PolarHBondContact O-N 3.22Å; M283-N285 VanDerWaalsContact C-N 3.33Å; M283-N285 PolarHBondContact O-N 3.5Å; M283-I286 PolarHBondContact O-N 3.35Å; M283-L287 HydrophobicContact CG-CD1 4.1Å; M283-L287 WeakPolarHBondContact O-CB 3.26Å; M283-L287 VanDerWaalsContact O-CG 3.26Å; M283-L287 WeakPolarHBondContact O-CG 3.46Å; M283-L287 PolarHBondContact O-N 3.49Å; M283-L310 HydrophobicContact CG-CD1 3.7Å
284Q85.9Confident86Confident77 Ų7780.7 Ų80.736%0.3642%0.42SS..Hα-helixtrans-60.6-40.8177.3-75.7174.81.800111.9Q280 E281 L287 A288Q280-Q284 WeakPolarHBondContact O-CB 3.27Å; Q280-Q284 VanDerWaalsContact O-CG 3.28Å; Q280-Q284 WeakPolarHBondContact O-CG 3.28Å; Q280-Q284 PolarHBondContact O-N 2.83Å; E281-Q284 PolarHBondContact O-N 3.39Å; Q284-L287 PolarHBondContact O-N 3.34Å; Q284-A288 VanDerWaalsContact O-CB 3.27Å; Q284-A288 WeakPolarHBondContact O-CB 3.36Å; Q284-A288 PolarHBondContact O-N 3.47Å
285N86.9Confident85.6Confident88 Ų8881.2 Ų81.247%0.47142%0.424SS..Hα-helixtrans-66-40.8177-73.9-26.4000112.3E281 K282 M283 A288 H289E281-N285 WeakPolarHBondContact O-CB 3.45Å; E281-N285 VanDerWaalsContact O-CG 3.28Å; E281-N285 PolarHBondContact O-N 3.24Å; E281-N285 PolarHBondContact O-ND2 3.45Å; K282-N285 PolarHBondContact O-N 2.87Å; M283-N285 VanDerWaalsContact C-N 3.33Å; M283-N285 PolarHBondContact O-N 3.5Å; N285-A288 PolarHBondContact O-N 2.82Å; N285-H289 WeakPolarHBondContact O-CB 3.4Å; N285-H289 PolarHBondContact O-N 2.82Å
286I87.2Confident85.1Confident112 Ų11278.4 Ų78.457%0.57441%0.412SS*.Hα-helixtrans-62.7-46.4174.3-70164.8000110.1K282 M283 H289 A290K282-I286 VanDerWaalsContact O-CG1 3.25Å; K282-I286 WeakPolarHBondContact O-CG1 3.28Å; K282-I286 PolarHBondContact O-N 3.18Å; M283-I286 PolarHBondContact O-N 3.35Å; I286-H289 PolarHBondContact O-N 3.36Å; I286-A290 WeakPolarHBondContact O-CB 3.42Å; I286-A290 PolarHBondContact O-N 3.04Å
287L86.9Confident84.8Confident22 Ų2282.5 Ų82.512%0.11544%0.438CS..Hα-helixtrans-62.5-43.8177.7-71.3168.9000111.9M283 Q284 H289 A290 W291 Y303 V308 L310 M315M283-L287 HydrophobicContact CG-CD1 4.1Å; M283-L287 WeakPolarHBondContact O-CB 3.26Å; M283-L287 VanDerWaalsContact O-CG 3.26Å; M283-L287 WeakPolarHBondContact O-CG 3.46Å; M283-L287 PolarHBondContact O-N 3.49Å; Q284-L287 PolarHBondContact O-N 3.34Å; L287-H289 PolarHBondContact O-N 2.9Å; L287-A290 PolarHBondContact O-N 3.09Å; L287-W291 WeakPolarHBondContact O-CB 3.32Å; L287-W291 PolarHBondContact O-N 2.95Å; L287-Y303 HydrophobicContact CB-CE2 4.1Å; L287-V308 HydrophobicContact CD1-CG1 3.82Å; L287-V308 HydrophobicContact CD2-CG1 4.25Å; L287-L310 HydrophobicContact CD1-CD1 4.14Å; L287-M315 HydrophobicContact CD2-CE 4.36Å; L287-M315 HydrophobicContact CD2-SD 3.6Å; L287-M315 VanDerWaalsContact CD2-SD 3.6Å
288A85.4Confident84.2Confident23 Ų2383.3 Ų83.319%0.1944%0.441CS..Hα-helixtrans-63.9-39.117700000112.2Q284 N285 Y303Q284-A288 VanDerWaalsContact O-CB 3.27Å; Q284-A288 WeakPolarHBondContact O-CB 3.36Å; Q284-A288 PolarHBondContact O-N 3.47Å; N285-A288 PolarHBondContact O-N 2.82Å; A288-Y303 HydrophobicContact CB-CD1 4.02Å; A288-Y303 HydrophobicContact CB-CD2 4.19Å; A288-Y303 HydrophobicContact CB-CE1 4.27Å; A288-Y303 HydrophobicContact CB-CE2 4.44Å; A288-Y303 HydrophobicContact CB-CG 3.97Å
289H85.6Confident83.8Confident157 Ų15786.9 Ų86.973%0.72746%0.455SS*.Hα-helixtrans-65.3-43.8172.1-102.676.1000112.1N285 I286 L287 W291 N292 K293N285-H289 WeakPolarHBondContact O-CB 3.4Å; N285-H289 PolarHBondContact O-N 2.82Å; I286-H289 PolarHBondContact O-N 3.36Å; L287-H289 PolarHBondContact O-N 2.9Å; H289-W291 VanDerWaalsContact C-N 3.33Å; H289-W291 PolarHBondContact O-N 3.26Å; H289-N292 PolarHBondContact O-N 3.35Å; H289-K293 PolarHBondContact O-N 3.24Å
290A85.9Confident83.4Confident55 Ų5584.1 Ų84.146%0.45546%0.461SS..Hα-helixtrans-65-37.4178.300000112.1I286 L287 N292 K293I286-A290 WeakPolarHBondContact O-CB 3.42Å; I286-A290 PolarHBondContact O-N 3.04Å; L287-A290 PolarHBondContact O-N 3.09Å; A290-N292 VanDerWaalsContact C-N 3.27Å; A290-N292 PolarHBondContact O-N 3.1Å; A290-K293 PolarHBondContact O-N 3.3Å
291W84.5Confident83.2Confident12 Ų1282.5 Ų82.55%0.04546%0.458CS..Hα-helixtrans-56.8-38.7178.5-168.9-84.4000112.8L287 H289 S296 F298 T301 Y303 Q307 V308 I317L287-W291 WeakPolarHBondContact O-CB 3.32Å; L287-W291 PolarHBondContact O-N 2.95Å; H289-W291 VanDerWaalsContact C-N 3.33Å; H289-W291 PolarHBondContact O-N 3.26Å; W291-S296 WeakPolarHBondContact O-CB 3.14Å; W291-S296 PolarHBondContact O-OG 3.37Å; W291-F298 HydrophobicContact CD2-CB 3.62Å; W291-F298 HydrophobicContact CD2-CD2 4.1Å; W291-F298 AromaticContact CD2-CG 3.93Å; W291-F298 HydrophobicContact CD2-CG 3.93Å; W291-F298 AromaticContact CE2-CG 3.59Å; W291-F298 HydrophobicContact CE3-CB 4.29Å; W291-F298 AromaticContact CE3-CD2 3.9Å; W291-F298 HydrophobicContact CE3-CD2 3.9Å; W291-F298 HydrophobicContact CE3-CG 4.09Å; W291-F298 HydrophobicContact CG-CB 3.98Å; W291-F298 HydrophobicContact CH2-CB 4.17Å; W291-F298 AromaticContact CH2-CD1 3.55Å; W291-F298 HydrophobicContact CH2-CD1 3.55Å; W291-F298 AromaticContact CH2-CD2 3.98Å; W291-F298 HydrophobicContact CH2-CD2 3.98Å; W291-F298 AromaticContact CH2-CE1 3.88Å; W291-F298 HydrophobicContact CH2-CE1 3.88Å; W291-F298 HydrophobicContact CH2-CE2 4.3Å; W291-F298 AromaticContact CH2-CG 3.62Å; W291-F298 HydrophobicContact CH2-CG 3.62Å; W291-F298 HydrophobicContact CH2-CZ 4.27Å; W291-F298 HydrophobicContact CZ2-CB 3.5Å; W291-F298 VanDerWaalsContact CZ2-CB 3.5Å; W291-F298 AromaticContact CZ2-CD1 3.46Å; W291-F298 HydrophobicContact CZ2-CD1 3.46Å; W291-F298 VanDerWaalsContact CZ2-CD1 3.46Å; W291-F298 HydrophobicContact CZ2-CD2 4.19Å; W291-F298 HydrophobicContact CZ2-CE1 4.25Å; W291-F298 AromaticContact CZ2-CG 3.45Å; W291-F298 HydrophobicContact CZ2-CG 3.45Å; W291-F298 VanDerWaalsContact CZ2-CG 3.45Å; W291-F298 HydrophobicContact CZ3-CD1 4.25Å; W291-F298 AromaticContact CZ3-CD2 3.84Å; W291-F298 HydrophobicContact CZ3-CD2 3.84Å; W291-F298 HydrophobicContact CZ3-CE1 4.48Å; W291-F298 HydrophobicContact CZ3-CE2 4.11Å; W291-F298 AromaticContact CZ3-CG 3.95Å; W291-F298 HydrophobicContact CZ3-CG 3.95Å; W291-F298 HydrophobicContact CZ3-CZ 4.44Å; W291-F298 VanDerWaalsContact NE1-CB 3.25Å; W291-F298 PolarHBondContact NE1-O 3.35Å; W291-T301 PolarHBondContact NE1-O 3.36Å; W291-T301 PolarHBondContact NE1-OG1 3.25Å; W291-Y303 HydrophobicContact CB-CD2 4.2Å; W291-Y303 HydrophobicContact CD2-CD2 4.06Å; W291-Y303 HydrophobicContact CE3-CD2 4.15Å; W291-Y303 HydrophobicContact CE3-CE2 4.46Å; W291-Y303 HydrophobicContact CG-CD2 4.12Å; W291-Q307 HydrophobicContact CH2-CB 4.27Å; W291-V308 HydrophobicContact CZ3-CG2 4.11Å; W291-I317 HydrophobicContact CZ3-CG2 4.18Å
292N82.4Confident82.8Confident83 Ų8384.4 Ų84.444%0.44448%0.477SS..THydrogen-bonded Turntrans-97.21.3-177-74.7-48.4000114.5H289 A290H289-N292 PolarHBondContact O-N 3.35Å; A290-N292 VanDerWaalsContact C-N 3.27Å; A290-N292 PolarHBondContact O-N 3.1Å
293K84Confident82.4Confident155 Ų15581.2 Ų81.267%0.67446%0.462SS*.SBendtrans-70.6149.6179.6-162.7173.3-179-179.70111H289 A290 G295 S296H289-K293 PolarHBondContact O-N 3.24Å; A290-K293 PolarHBondContact O-N 3.3Å; K293-G295 PolarHBondContact O-N 2.71Å; K293-S296 VanDerWaalsContact O-CB 3.24Å; K293-S296 WeakPolarHBondContact O-CB 3.46Å; K293-S296 PolarHBondContact O-N 3.19Å
294E78Confident82Confident166 Ų16679.7 Ų79.778%0.77646%0.456SS*.THydrogen-bonded Turntrans-59.6127.3174.4-171159.8-139.900111.4K299E294-K299 IonicContact OE1-NZ 3.81Å
295G79Confident81.3Confident79 Ų7979.4 Ų79.481%0.81446%0.46SS*.THydrogen-bonded Turntrans97.2-10.3-171.700000114.9K293K293-G295 PolarHBondContact O-N 2.71Å
296S79Confident80.7Confident23 Ų2379.2 Ų79.216%0.16147%0.466CS..  trans-70.8133171.2173.90000110.7W291 K293 F298 K299W291-S296 WeakPolarHBondContact O-CB 3.14Å; W291-S296 PolarHBondContact O-OG 3.37Å; K293-S296 VanDerWaalsContact O-CB 3.24Å; K293-S296 WeakPolarHBondContact O-CB 3.46Å; K293-S296 PolarHBondContact O-N 3.19Å; S296-F298 PolarHBondContact O-N 3.12Å; S296-F298 VanDerWaalsContact O-N 3.12Å; S296-F298 PolarHBondContact OG-N 3.04Å; S296-K299 WeakPolarHBondContact O-CB 3.24Å; S296-K299 PolarHBondContact O-N 3.18Å
297P79.5Confident79.8Confident114 Ų11477 Ų7774%0.7445%0.453SS*.THydrogen-bonded Turntrans-65.1-12.6174.127.4-32.9000112.8
298F76.7Confident78.8Confident26 Ų2676.9 Ų76.911%0.11445%0.453CS..THydrogen-bonded Turntrans-103.46.4179.7-48.2-76.8000114W291 S296 G300 T301 I317 T319W291-F298 HydrophobicContact CD2-CB 3.62Å; W291-F298 HydrophobicContact CD2-CD2 4.1Å; W291-F298 AromaticContact CD2-CG 3.93Å; W291-F298 HydrophobicContact CD2-CG 3.93Å; W291-F298 AromaticContact CE2-CG 3.59Å; W291-F298 HydrophobicContact CE3-CB 4.29Å; W291-F298 AromaticContact CE3-CD2 3.9Å; W291-F298 HydrophobicContact CE3-CD2 3.9Å; W291-F298 HydrophobicContact CE3-CG 4.09Å; W291-F298 HydrophobicContact CG-CB 3.98Å; W291-F298 HydrophobicContact CH2-CB 4.17Å; W291-F298 AromaticContact CH2-CD1 3.55Å; W291-F298 HydrophobicContact CH2-CD1 3.55Å; W291-F298 AromaticContact CH2-CD2 3.98Å; W291-F298 HydrophobicContact CH2-CD2 3.98Å; W291-F298 AromaticContact CH2-CE1 3.88Å; W291-F298 HydrophobicContact CH2-CE1 3.88Å; W291-F298 HydrophobicContact CH2-CE2 4.3Å; W291-F298 AromaticContact CH2-CG 3.62Å; W291-F298 HydrophobicContact CH2-CG 3.62Å; W291-F298 HydrophobicContact CH2-CZ 4.27Å; W291-F298 HydrophobicContact CZ2-CB 3.5Å; W291-F298 VanDerWaalsContact CZ2-CB 3.5Å; W291-F298 AromaticContact CZ2-CD1 3.46Å; W291-F298 HydrophobicContact CZ2-CD1 3.46Å; W291-F298 VanDerWaalsContact CZ2-CD1 3.46Å; W291-F298 HydrophobicContact CZ2-CD2 4.19Å; W291-F298 HydrophobicContact CZ2-CE1 4.25Å; W291-F298 AromaticContact CZ2-CG 3.45Å; W291-F298 HydrophobicContact CZ2-CG 3.45Å; W291-F298 VanDerWaalsContact CZ2-CG 3.45Å; W291-F298 HydrophobicContact CZ3-CD1 4.25Å; W291-F298 AromaticContact CZ3-CD2 3.84Å; W291-F298 HydrophobicContact CZ3-CD2 3.84Å; W291-F298 HydrophobicContact CZ3-CE1 4.48Å; W291-F298 HydrophobicContact CZ3-CE2 4.11Å; W291-F298 AromaticContact CZ3-CG 3.95Å; W291-F298 HydrophobicContact CZ3-CG 3.95Å; W291-F298 HydrophobicContact CZ3-CZ 4.44Å; W291-F298 VanDerWaalsContact NE1-CB 3.25Å; W291-F298 PolarHBondContact NE1-O 3.35Å; S296-F298 PolarHBondContact O-N 3.12Å; S296-F298 VanDerWaalsContact O-N 3.12Å; S296-F298 PolarHBondContact OG-N 3.04Å; F298-G300 PolarHBondContact O-N 3.42Å; F298-G300 VanDerWaalsContact O-N 3.1Å; F298-T301 PolarHBondContact O-N 2.75Å; F298-T301 PolarHBondContact O-OG1 2.65Å; F298-I317 HydrophobicContact CE1-CG2 4.09Å; F298-I317 HydrophobicContact CE2-CB 4.4Å; F298-I317 HydrophobicContact CE2-CD1 3.85Å; F298-I317 HydrophobicContact CE2-CG2 3.62Å; F298-I317 HydrophobicContact CZ-CB 4.21Å; F298-I317 HydrophobicContact CZ-CG2 3.24Å; F298-T319 HydrophobicContact CE1-CG2 3.98Å; F298-T319 HydrophobicContact CZ-CG2 3.8Å
299K79.2Confident77.7Confident115 Ų11581.5 Ų81.550%0.547%0.469SS..THydrogen-bonded Turntrans-55.6121-179.5-176.8-178-178.7-177.20110.3E294 S296E294-K299 IonicContact OE1-NZ 3.81Å; S296-K299 WeakPolarHBondContact O-CB 3.24Å; S296-K299 PolarHBondContact O-N 3.18Å
300G77.2Confident76.3Confident71 Ų7178.1 Ų78.173%0.73246%0.456SS*.THydrogen-bonded Turntrans94.6-3.8179.200000115.1F298F298-G300 PolarHBondContact O-N 3.42Å; F298-G300 VanDerWaalsContact O-N 3.1Å
301T81.8Confident74.5Confident64 Ų6483.1 Ų83.139%0.39347%0.47SS..SBendtrans-92.5148.2168.168.50000110.6W291 F298W291-T301 PolarHBondContact NE1-O 3.36Å; W291-T301 PolarHBondContact NE1-OG1 3.25Å; F298-T301 PolarHBondContact O-N 2.75Å; F298-T301 PolarHBondContact O-OG1 2.65Å
302P79.7Confident72.7Confident115 Ų11585.8 Ų85.875%0.74750%0.501SS*.PPolyproline II helixtrans-61.7138.9173.525.4-32.8000110.4D304P302-D304 PolarHBondContact O-N 2.94Å
303Y79.8Confident70.9Confident60 Ų6089.8 Ų89.824%0.23553%0.529CS..PPolyproline II helixtrans-63.5120.7177.2173.5-110.8000110.1L287 A288 W291 P305 V308L287-Y303 HydrophobicContact CB-CE2 4.1Å; A288-Y303 HydrophobicContact CB-CD1 4.02Å; A288-Y303 HydrophobicContact CB-CD2 4.19Å; A288-Y303 HydrophobicContact CB-CE1 4.27Å; A288-Y303 HydrophobicContact CB-CE2 4.44Å; A288-Y303 HydrophobicContact CB-CG 3.97Å; W291-Y303 HydrophobicContact CB-CD2 4.2Å; W291-Y303 HydrophobicContact CD2-CD2 4.06Å; W291-Y303 HydrophobicContact CE3-CD2 4.15Å; W291-Y303 HydrophobicContact CE3-CE2 4.46Å; W291-Y303 HydrophobicContact CG-CD2 4.12Å; Y303-P305 HydrophobicContact CE1-CB 3.94Å; Y303-P305 HydrophobicContact CE1-CG 4.37Å; Y303-V308 HydrophobicContact CE2-CG2 4.4Å
304D77.3Confident69Low57 Ų5786 Ų8631%0.30552%0.522SS..  trans-112.2104176.2-176.9-4.5000109.8P302 S306 Q307P302-D304 PolarHBondContact O-N 2.94Å; D304-S306 PolarHBondContact O-N 3.46Å; D304-S306 VanDerWaalsContact O-N 3.14Å; D304-S306 VanDerWaalsContact OD1-CB 3.31Å; D304-S306 WeakPolarHBondContact OD1-CB 3.31Å; D304-S306 PolarHBondContact OD1-N 2.93Å; D304-S306 PolarHBondContact OD1-OG 2.98Å; D304-S306 PolarHBondContact OD2-OG 3Å; D304-S306 VanDerWaalsContact OD2-OG 3.1Å; D304-Q307 HydrophobicContact CB-CG 4.11Å; D304-Q307 PolarHBondContact O-N 3.14Å; D304-Q307 VanDerWaalsContact O-N 3.16Å
305P70.9Confident67.8Low70 Ų7083.6 Ų83.646%0.45551%0.512SS..G310 helixtrans-63.9-17.9-179.224-31.3000113.1Y303 Q307 V308Y303-P305 HydrophobicContact CE1-CB 3.94Å; Y303-P305 HydrophobicContact CE1-CG 4.37Å; P305-Q307 VanDerWaalsContact C-N 3.3Å; P305-Q307 PolarHBondContact O-N 3.16Å; P305-V308 PolarHBondContact O-N 3.4Å
306S74.7Confident66.7Low84 Ų8486.2 Ų86.259%0.58750%0.503SS*.G310 helixtrans-73.3-21.3177.675.50000113.5D304 V308D304-S306 PolarHBondContact O-N 3.46Å; D304-S306 VanDerWaalsContact O-N 3.14Å; D304-S306 VanDerWaalsContact OD1-CB 3.31Å; D304-S306 WeakPolarHBondContact OD1-CB 3.31Å; D304-S306 PolarHBondContact OD1-N 2.93Å; D304-S306 PolarHBondContact OD1-OG 2.98Å; D304-S306 PolarHBondContact OD2-OG 3Å; D304-S306 VanDerWaalsContact OD2-OG 3.1Å; S306-V308 VanDerWaalsContact C-N 3.29Å
307Q68.9Low65.8Low67 Ų6788.4 Ų88.431%0.31351%0.512SS..G310 helixtrans-80.7-10.9176.9-63.5-165.114.900113.3W291 D304 P305W291-Q307 HydrophobicContact CH2-CB 4.27Å; D304-Q307 HydrophobicContact CB-CG 4.11Å; D304-Q307 PolarHBondContact O-N 3.14Å; D304-Q307 VanDerWaalsContact O-N 3.16Å; P305-Q307 VanDerWaalsContact C-N 3.3Å; P305-Q307 PolarHBondContact O-N 3.16Å
308V65.3Low64.6Low18 Ų1888.9 Ų88.911%0.10950%0.504CS..EExtended strand (participates in β ladder)trans-108.394.3179.7-1700000109.1L287 W291 Y303 P305 S306 L310L287-V308 HydrophobicContact CD1-CG1 3.82Å; L287-V308 HydrophobicContact CD2-CG1 4.25Å; W291-V308 HydrophobicContact CZ3-CG2 4.11Å; Y303-V308 HydrophobicContact CE2-CG2 4.4Å; P305-V308 PolarHBondContact O-N 3.4Å; S306-V308 VanDerWaalsContact C-N 3.29Å; V308-L310 HydrophobicContact CG1-CD2 4.2Å; V308-L310 HydrophobicContact CG1-CG 4.25Å
309K61.7Low63.5Low120 Ų12092.3 Ų92.352%0.52253%0.528SS..EExtended strand (participates in β ladder)trans-88.8110.4170.2-69.9-176.2-178.6178.60109E311K309-E311 PolarHBondContact O-N 3.47Å
310L57.4Low61.7Low86 Ų8695.4 Ų95.445%0.4554%0.544SS..EExtended strand (participates in β ladder)trans-90.388.5170.7-63.5173.3000108.2M283 L287 V308 M315M283-L310 HydrophobicContact CG-CD1 3.7Å; L287-L310 HydrophobicContact CD1-CD1 4.14Å; V308-L310 HydrophobicContact CG1-CD2 4.2Å; V308-L310 HydrophobicContact CG1-CG 4.25Å; L310-M315 HydrophobicContact CD2-CG 3.72Å; L310-M315 HydrophobicContact CD2-SD 3.97Å
311E46.9Very low60.1Low160 Ų16097.9 Ų97.975%0.74855%0.547SS*.EExtended strand (participates in β ladder)trans-106.9102.9169.2-75.5-173.8-176.700108.8K309K309-E311 PolarHBondContact O-N 3.47Å
312G47.7Very low58Low69 Ų69107.5 Ų107.571%0.71159%0.591SS**THydrogen-bonded Turntrans60.9-166.2-177.800000112.5S314G312-S314 PolarHBondContact O-N 3.1Å
313T43.9Very low56.9Low166 Ų166107.2 Ų107.2100%1.01858%0.583SS**THydrogen-bonded Turntrans-63.312.5-172.3-21.90000115.5
314S43.8Very low55.7Low75 Ų75109.6 Ų109.652%0.52460%0.601SS.*EExtended strand (participates in β ladder)trans-120.9124.9-176.3-1690000110.8G312G312-S314 PolarHBondContact O-N 3.1Å
315M54.3Low54.5Low116 Ų116112.6 Ų112.657%0.57162%0.618SS**EExtended strand (participates in β ladder)trans-89.6117171-62.2-154.3-64.400109.3L287 L310L287-M315 HydrophobicContact CD2-CE 4.36Å; L287-M315 HydrophobicContact CD2-SD 3.6Å; L287-M315 VanDerWaalsContact CD2-SD 3.6Å; L310-M315 HydrophobicContact CD2-CG 3.72Å; L310-M315 HydrophobicContact CD2-SD 3.97Å
316H55.6Low53.6Low135 Ų135115.1 Ų115.163%0.62563%0.627SS**EExtended strand (participates in β ladder)trans-106.1120.2171.7-147.371.9000109.3
317I59.1Low52.3Low69 Ų69117 Ų11735%0.35463%0.63SS.*EExtended strand (participates in β ladder)trans-108.5118.8175.6-47.8174.4000108.2W291 F298 T319W291-I317 HydrophobicContact CZ3-CG2 4.18Å; F298-I317 HydrophobicContact CE1-CG2 4.09Å; F298-I317 HydrophobicContact CE2-CB 4.4Å; F298-I317 HydrophobicContact CE2-CD1 3.85Å; F298-I317 HydrophobicContact CE2-CG2 3.62Å; F298-I317 HydrophobicContact CZ-CB 4.21Å; F298-I317 HydrophobicContact CZ-CG2 3.24Å; I317-T319 PolarHBondContact O-N 3.31Å
318Q55.4Low51.2Low123 Ų123120.3 Ų120.358%0.57565%0.651SS**  trans-87.299.3-175.9-166.4153.5-2.500110.3
319T53.6Low50.1Low99 Ų99127.6 Ų127.661%0.60769%0.69SS**PPolyproline II helixtrans-82.9117.8172.454.60000109.8F298 I317F298-T319 HydrophobicContact CE1-CG2 3.98Å; F298-T319 HydrophobicContact CZ-CG2 3.8Å; I317-T319 PolarHBondContact O-N 3.31Å
320Q41.5Very low49.3Very low180 Ų180128.2 Ų128.284%0.84170%0.703SS**PPolyproline II helixtrans-74.1133.2164.8-79-172.5-15.500109.5
321P43.2Very low48.6Very low122 Ų122131.8 Ų131.879%0.79272%0.724SS**PPolyproline II helixtrans-69.2138.6169.428.2-29.7000109.6
322M38Very low48.7Very low267 Ų267129.2 Ų129.2100%1.31572%0.721SS**  trans-57.90171.8-91-126.2-121.300112.7

Retrieved 322 of 322 residues in 515.9 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).