A0A096MXU5_PAPAN Loading...

Protein kinase C and casein kinase substrate in neurons 3

Plays a role in endocytosis and regulates internalization of plasma membrane proteins. Overexpression impairs internalization of SLC2A1/GLUT1 and TRPV4 and increases the levels of SLC2A1/GLUT1 and TRPV4 at the cell membrane. Inhibits the TRPV4 calcium channel activity.

AlphaFold DB (Q9UKS6), UniProt , Accession A0A096MXU5, Species PAPAN (Papio anubis, Olive baboon), Gene PACSIN3, Length 424 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.1Very low39.2Very low254 Ų254134.6 Ų134.6100%1.25182%0.821SS**  087.50-86.8-166.4-77.400108.8
2A42.9Very low40.3Very low89 Ų89133.8 Ų133.874%0.73681%0.807SS**  trans-150.4129.2149.200000102.3
3P47.7Very low41.8Very low111 Ų111129.7 Ų129.772%0.72181%0.808SS**  trans-72138.2-173.129.7-30.6000109.5E5P3-E5 PolarHBondContact O-N 3.21Å
4E42.8Very low44.7Very low202 Ų202122.4 Ų122.494%0.94477%0.771SS**  trans-63.399.2164.5-67.5-177.5137.300107.9D6E4-D6 PolarHBondContact O-N 2.94Å
5E42.2Very low48.1Very low173 Ų173118.1 Ų118.181%0.80875%0.746SS**  trans-85.699.2168.8-73.8-174.2156.300109.1P3 A7P3-E5 PolarHBondContact O-N 3.21Å; E5-A7 PolarHBondContact O-N 3.17Å
6D36.3Very low51.1Low147 Ų147113.9 Ų113.979%0.78671%0.714SS**  34.680.1127.3-162.224000116.4E4 G8E4-D6 PolarHBondContact O-N 2.94Å; D6-G8 PolarHBondContact O-N 3.29Å; D6-G8 WeakPolarHBondContact OD1-CA 3.31Å; D6-G8 PolarHBondContact OD1-N 3.31Å; D6-G8 VanDerWaalsContact OD1-N 3.15Å
7A37.1Very low53.8Low106 Ų106112.5 Ų112.588%0.87669%0.692SS**  trans-84.564.4152.500000109E5 G9E5-A7 PolarHBondContact O-N 3.17Å; A7-G9 VanDerWaalsContact C-N 3.33Å; A7-G9 PolarHBondContact O-N 2.93Å
8G31.1Very low56Low60 Ų60111.8 Ų111.862%0.61968%0.68SS**  trans-63.587.9169.200000111D6D6-G8 PolarHBondContact O-N 3.29Å; D6-G8 WeakPolarHBondContact OD1-CA 3.31Å; D6-G8 PolarHBondContact OD1-N 3.31Å; D6-G8 VanDerWaalsContact OD1-N 3.15Å
9G32.9Very low58Low66 Ų66109.1 Ų109.168%0.6867%0.67SS**  trans-89.5107.115200000107.4A7 A11A7-G9 VanDerWaalsContact C-N 3.33Å; A7-G9 PolarHBondContact O-N 2.93Å; G9-A11 PolarHBondContact O-N 3Å; G9-A11 VanDerWaalsContact O-N 3.13Å
10E36.7Very low59.8Low180 Ų180103.9 Ų103.984%0.84164%0.639SS**  trans-38.8122.2172.6-72.1179.5140.500110.3L12E10-L12 PolarHBondContact O-N 3.17Å
11A40.1Very low61.5Low93 Ų93100.9 Ų100.977%0.76962%0.619SS**  trans-62.684.917100000108.2G9 G13G9-A11 PolarHBondContact O-N 3Å; G9-A11 VanDerWaalsContact O-N 3.13Å; A11-G13 WeakPolarHBondContact O-CA 3.43Å; A11-G13 PolarHBondContact O-N 2.99Å
12L52Low64.2Low125 Ų12589.3 Ų89.365%0.65456%0.561SS**  trans-51113.8160.1-69.3169.2000104.3E10 G14 R24E10-L12 PolarHBondContact O-N 3.17Å; L12-G14 PolarHBondContact O-N 3.32Å; L12-R24 PolarHBondContact O-NH1 3.1Å; L12-R24 PolarHBondContact O-NH2 3.36Å
13G60.6Low66.8Low80 Ų8092.5 Ų92.583%0.82555%0.554SS**SBendtrans-92.398.3-146.900000113.7A11A11-G13 WeakPolarHBondContact O-CA 3.43Å; A11-G13 PolarHBondContact O-N 2.99Å
14G82.9Confident69Low28 Ų2893.1 Ų93.129%0.28954%0.542SS..  trans-175.1142.3172.200000112.9L12 E18 N21L12-G14 PolarHBondContact O-N 3.32Å; G14-E18 WeakPolarHBondContact CA-OE2 3.31Å; G14-N21 VanDerWaalsContact CA-ND2 3.31Å; G14-N21 WeakPolarHBondContact CA-ND2 3.27Å
15S94.6Very high71.6Confident57 Ų5784.2 Ų84.240%0.39950%0.502SS..  trans-71.5141.8178.3174.50000110.8W17 E18 N21S15-W17 PolarHBondContact O-N 3.44Å; S15-W17 PolarHBondContact OG-N 3.4Å; S15-E18 PolarHBondContact N-OE2 2.97Å; S15-E18 WeakPolarHBondContact O-CB 3.5Å; S15-E18 PolarHBondContact O-N 3.44Å; S15-N21 PolarHBondContact N-ND2 3.13Å; S15-N21 WeakPolarHBondContact O-CB 3.39Å; S15-N21 PolarHBondContact O-ND2 3.46Å
16F96.6Very high74.3Confident52 Ų5276.5 Ų76.523%0.22847%0.466CS..THydrogen-bonded Turntrans-49.7-35.1175.2168.1-99.7000112.8E18 F136 M224 F228F16-E18 VanDerWaalsContact C-N 3.27Å; F16-E18 PolarHBondContact O-N 3.25Å; F16-F136 HydrophobicContact CE2-CE1 4.03Å; F16-F136 HydrophobicContact CE2-CZ 4.4Å; F16-F136 AromaticContact CZ-CE1 3.84Å; F16-F136 HydrophobicContact CZ-CE1 3.84Å; F16-M224 HydrophobicContact CE1-CB 4.27Å; F16-M224 HydrophobicContact CE1-CE 3.9Å; F16-M224 HydrophobicContact CE2-CE 4.28Å; F16-M224 HydrophobicContact CZ-CB 4.45Å; F16-M224 HydrophobicContact CZ-CE 3.67Å; F16-F228 HydrophobicContact CE2-CD2 4.14Å; F16-F228 HydrophobicContact CZ-CB 4.41Å; F16-F228 HydrophobicContact CZ-CD2 4.32Å
17W97Very high77.1Confident90 Ų9073.5 Ų73.534%0.34145%0.448SS..THydrogen-bonded Turntrans-72.2-16.9-176.8-59.7113.2000114.3S15 Y220 M221 M224 E225S15-W17 PolarHBondContact O-N 3.44Å; S15-W17 PolarHBondContact OG-N 3.4Å; W17-Y220 HydrophobicContact CE3-CE1 4.01Å; W17-Y220 PolarHBondContact O-OH 2.93Å; W17-M221 HydrophobicContact CE3-CG 4.44Å; W17-M221 HydrophobicContact CH2-CB 4.13Å; W17-M221 HydrophobicContact CH2-CE 4.33Å; W17-M221 HydrophobicContact CH2-CG 4.01Å; W17-M221 HydrophobicContact CZ2-CE 4.32Å; W17-M221 HydrophobicContact CZ3-CB 4.16Å; W17-M221 HydrophobicContact CZ3-CG 3.88Å; W17-M224 HydrophobicContact CZ3-CB 3.92Å; W17-M224 HydrophobicContact CZ3-CG 4.43Å; W17-E225 HydrophobicContact CH2-CG 4.2Å
18E94.1Very high80Confident100 Ų10071.8 Ų71.847%0.46742%0.418SS..SBendtrans-74.9157.8176.8-67.6166.9-177.200111.5G14 S15 F16 G20 N21 Q140G14-E18 WeakPolarHBondContact CA-OE2 3.31Å; S15-E18 PolarHBondContact N-OE2 2.97Å; S15-E18 WeakPolarHBondContact O-CB 3.5Å; S15-E18 PolarHBondContact O-N 3.44Å; F16-E18 VanDerWaalsContact C-N 3.27Å; F16-E18 PolarHBondContact O-N 3.25Å; E18-G20 PolarHBondContact O-N 2.94Å; E18-G20 VanDerWaalsContact O-N 3.12Å; E18-N21 WeakPolarHBondContact CB-ND2 2.96Å; E18-N21 PolarHBondContact O-N 3.01Å; E18-N21 PolarHBondContact OE2-ND2 3.36Å; E18-Q140 PolarHBondContact O-NE2 2.96Å
19A92.8Very high83Confident59 Ų5970 Ų7049%0.48840%0.396SS..THydrogen-bonded Turntrans-54.8118.3-175.400000111.9N21 L144A19-N21 VanDerWaalsContact C-N 3.31Å; A19-N21 PolarHBondContact O-N 2.96Å; A19-L144 HydrophobicContact CB-CD2 3.56Å
20G93.6Very high86Confident5 Ų570.4 Ų70.45%0.05238%0.38CS..THydrogen-bonded Turntrans76.6-1.217600000117E18 Y22 R23E18-G20 PolarHBondContact O-N 2.94Å; E18-G20 VanDerWaalsContact O-N 3.12Å; G20-Y22 PolarHBondContact O-N 2.63Å; G20-R23 WeakPolarHBondContact O-CB 3.36Å; G20-R23 WeakPolarHBondContact O-CG 3.41Å; G20-R23 PolarHBondContact O-N 2.97Å
21N96.7Very high88.9Confident42 Ų4264.9 Ų64.923%0.22536%0.356CS..THydrogen-bonded Turntrans-72.7-14.1179.5-78.6-13000113.7G14 S15 E18 A19 R23G14-N21 VanDerWaalsContact CA-ND2 3.31Å; G14-N21 WeakPolarHBondContact CA-ND2 3.27Å; S15-N21 PolarHBondContact N-ND2 3.13Å; S15-N21 WeakPolarHBondContact O-CB 3.39Å; S15-N21 PolarHBondContact O-ND2 3.46Å; E18-N21 WeakPolarHBondContact CB-ND2 2.96Å; E18-N21 PolarHBondContact O-N 3.01Å; E18-N21 PolarHBondContact OE2-ND2 3.36Å; A19-N21 VanDerWaalsContact C-N 3.31Å; A19-N21 PolarHBondContact O-N 2.96Å; N21-R23 PolarHBondContact O-N 3.3Å; N21-R23 VanDerWaalsContact O-N 3.13Å
22Y97.3Very high91.6Very high10 Ų1060.5 Ų60.54%0.03932%0.32CS..THydrogen-bonded Turntrans-59.5-17.2168.466.6-105.1000113.5G20 R24 T25 V26 E133 F136 M224G20-Y22 PolarHBondContact O-N 2.63Å; Y22-R24 PolarHBondContact O-N 3.14Å; Y22-R24 VanDerWaalsContact O-N 3.09Å; Y22-T25 WeakPolarHBondContact O-CA 3.5Å; Y22-T25 VanDerWaalsContact O-CB 3.3Å; Y22-T25 WeakPolarHBondContact O-CB 3.41Å; Y22-T25 PolarHBondContact O-N 2.96Å; Y22-V26 HydrophobicContact CD2-CG2 3.99Å; Y22-V26 HydrophobicContact CE2-CG2 4.32Å; Y22-V26 PolarHBondContact O-N 3.42Å; Y22-E133 WeakPolarHBondContact CE2-OE1 3.48Å; Y22-E133 PolarHBondContact OH-OE1 3.46Å; Y22-F136 HydrophobicContact CD1-CB 3.82Å; Y22-F136 HydrophobicContact CD1-CG 4.29Å; Y22-F136 HydrophobicContact CD2-CB 3.34Å; Y22-F136 HydrophobicContact CD2-CD1 4.37Å; Y22-F136 AromaticContact CD2-CD2 3.5Å; Y22-F136 HydrophobicContact CD2-CD2 3.5Å; Y22-F136 HydrophobicContact CD2-CE2 4.39Å; Y22-F136 AromaticContact CD2-CG 3.49Å; Y22-F136 HydrophobicContact CD2-CG 3.49Å; Y22-F136 VanDerWaalsContact CD2-CG 3.49Å; Y22-F136 HydrophobicContact CE1-CB 3.92Å; Y22-F136 HydrophobicContact CE2-CB 3.49Å; Y22-F136 VanDerWaalsContact CE2-CB 3.49Å; Y22-F136 HydrophobicContact CE2-CD2 4.23Å; Y22-F136 HydrophobicContact CE2-CG 4.14Å; Y22-F136 HydrophobicContact CG-CB 3.54Å; Y22-F136 HydrophobicContact CG-CD1 4.05Å; Y22-F136 AromaticContact CG-CD2 3.99Å; Y22-F136 HydrophobicContact CG-CD2 3.99Å; Y22-F136 AromaticContact CG-CG 3.6Å; Y22-F136 HydrophobicContact CG-CG 3.6Å; Y22-M224 HydrophobicContact CD1-CE 4.13Å; Y22-M224 HydrophobicContact CG-CE 4.49Å
23R96.7Very high93.8Very high156 Ų15657.4 Ų57.459%0.58930%0.302SS*.Hα-helixtrans-56.9-25.5-179.5-75.5178.9-165.4137.62.3113.5G20 N21 T25 V26 Q27G20-R23 WeakPolarHBondContact O-CB 3.36Å; G20-R23 WeakPolarHBondContact O-CG 3.41Å; G20-R23 PolarHBondContact O-N 2.97Å; N21-R23 PolarHBondContact O-N 3.3Å; N21-R23 VanDerWaalsContact O-N 3.13Å; R23-T25 VanDerWaalsContact C-N 3.3Å; R23-T25 PolarHBondContact O-N 2.92Å; R23-V26 PolarHBondContact O-N 3.43Å; R23-Q27 WeakPolarHBondContact O-CB 3.45Å; R23-Q27 PolarHBondContact O-N 3.33Å
24R95.8Very high95.5Very high124 Ų12461.6 Ų61.647%0.46829%0.293SS..Hα-helixtrans-62.4-39.7172.6-63.1-174.8-160.6174.512.5112L12 Y22 V26 Q27 R28L12-R24 PolarHBondContact O-NH1 3.1Å; L12-R24 PolarHBondContact O-NH2 3.36Å; Y22-R24 PolarHBondContact O-N 3.14Å; Y22-R24 VanDerWaalsContact O-N 3.09Å; R24-V26 VanDerWaalsContact C-N 3.34Å; R24-Q27 PolarHBondContact O-N 3.11Å; R24-R28 PolarHBondContact O-N 3.23Å; R24-R28 VanDerWaalsContact O-N 3.13Å
25T97.2Very high96.3Very high15 Ų1563.6 Ų63.69%0.09230%0.297CS..Hα-helixtrans-66.7-38.2175.4-52.60000111.1Y22 R23 R28 F136 F228 C231Y22-T25 WeakPolarHBondContact O-CA 3.5Å; Y22-T25 VanDerWaalsContact O-CB 3.3Å; Y22-T25 WeakPolarHBondContact O-CB 3.41Å; Y22-T25 PolarHBondContact O-N 2.96Å; R23-T25 VanDerWaalsContact C-N 3.3Å; R23-T25 PolarHBondContact O-N 2.92Å; T25-R28 WeakPolarHBondContact O-CB 3.35Å; T25-R28 PolarHBondContact O-N 2.9Å; T25-F136 HydrophobicContact CG2-CE2 4.15Å; T25-F136 HydrophobicContact CG2-CZ 4.05Å; T25-F228 HydrophobicContact CG2-CD2 3.87Å; T25-F228 HydrophobicContact CG2-CE2 4.02Å; T25-C231 HydrophobicContact CG2-CB 3.63Å
26V97.2Very high96.4Very high11 Ų1160.9 Ų60.97%0.06728%0.278CS..Hα-helixtrans-67-43.5175.1-179.80000111Y22 R23 R24 R28 V29 A132 E133 F136Y22-V26 HydrophobicContact CD2-CG2 3.99Å; Y22-V26 HydrophobicContact CE2-CG2 4.32Å; Y22-V26 PolarHBondContact O-N 3.42Å; R23-V26 PolarHBondContact O-N 3.43Å; R24-V26 VanDerWaalsContact C-N 3.34Å; V26-R28 PolarHBondContact O-N 3.34Å; V26-V29 WeakPolarHBondContact O-CB 3.24Å; V26-V29 PolarHBondContact O-N 3.09Å; V26-A132 HydrophobicContact CG2-CB 4.16Å; V26-E133 HydrophobicContact CG1-CB 4.3Å; V26-F136 HydrophobicContact CG2-CD2 3.76Å; V26-F136 HydrophobicContact CG2-CE2 4.03Å
27Q96.5Very high96.5Very high85 Ų8559.9 Ų59.940%0.39728%0.282SS..Hα-helixtrans-57.9-38.2177.8-17458.85200111.8R23 R24 V29 E30 D31R23-Q27 WeakPolarHBondContact O-CB 3.45Å; R23-Q27 PolarHBondContact O-N 3.33Å; R24-Q27 PolarHBondContact O-N 3.11Å; Q27-V29 PolarHBondContact O-N 2.92Å; Q27-V29 VanDerWaalsContact O-N 3.07Å; Q27-E30 PolarHBondContact NE2-OE2 3.19Å; Q27-E30 WeakPolarHBondContact O-CA 3.41Å; Q27-E30 WeakPolarHBondContact O-CB 3.41Å; Q27-E30 PolarHBondContact O-N 3.24Å; Q27-D31 PolarHBondContact NE2-OD1 3.14Å; Q27-D31 VanDerWaalsContact O-CG 3.27Å; Q27-D31 PolarHBondContact O-N 2.84Å
28R97Very high96.6Very high69 Ų6959.2 Ų59.226%0.2629%0.285SS..Hα-helixtrans-55.1-29.2176.4-167.8176.365.2-174.31.3113.3R24 T25 V26 G32 C231 Q232R24-R28 PolarHBondContact O-N 3.23Å; R24-R28 VanDerWaalsContact O-N 3.13Å; T25-R28 WeakPolarHBondContact O-CB 3.35Å; T25-R28 PolarHBondContact O-N 2.9Å; V26-R28 PolarHBondContact O-N 3.34Å; R28-G32 PolarHBondContact O-N 3.21Å; R28-C231 PolarHBondContact NH2-O 2.89Å; R28-Q232 VanDerWaalsContact CZ-OE1 3.24Å
29V95.7Very high96.8Very high23 Ų2355.4 Ų55.414%0.13927%0.268CS..Hα-helixtrans-67.3-44.2175.1-176.40000110.8V26 Q27 G32 H33 F118 E128 S129V26-V29 WeakPolarHBondContact O-CB 3.24Å; V26-V29 PolarHBondContact O-N 3.09Å; Q27-V29 PolarHBondContact O-N 2.92Å; Q27-V29 VanDerWaalsContact O-N 3.07Å; V29-G32 PolarHBondContact O-N 2.97Å; V29-H33 PolarHBondContact O-N 3Å; V29-F118 HydrophobicContact CG1-CE1 4.12Å; V29-F118 VanDerWaalsContact O-CE1 3.23Å; V29-F118 WeakPolarHBondContact O-CE1 3.2Å; V29-E128 HydrophobicContact CG1-CB 3.83Å; V29-S129 WeakPolarHBondContact CG1-OG 3.48Å
30E94.5Very high97Very high74 Ų7453.2 Ų53.235%0.34625%0.249SC..Hα-helixtrans-68.2-40.9176.9-58.2-170.2164.700111.6Q27 G32 H33 R34 F126 S129Q27-E30 PolarHBondContact NE2-OE2 3.19Å; Q27-E30 WeakPolarHBondContact O-CA 3.41Å; Q27-E30 WeakPolarHBondContact O-CB 3.41Å; Q27-E30 PolarHBondContact O-N 3.24Å; E30-G32 VanDerWaalsContact C-N 3.25Å; E30-G32 PolarHBondContact O-N 3.44Å; E30-H33 WeakPolarHBondContact O-CB 3.43Å; E30-H33 PolarHBondContact O-N 3.42Å; E30-H33 VanDerWaalsContact O-N 3.16Å; E30-R34 PolarHBondContact O-N 3.04Å; E30-R34 VanDerWaalsContact O-N 3.09Å; E30-F126 HydrophobicContact CG-CD2 4.43Å; E30-S129 WeakPolarHBondContact CG-OG 3.49Å
31D97.1Very high97.3Very high64 Ų6455.3 Ų55.334%0.34226%0.263SS..Hα-helixtrans-61.6-37.7175.3-59.2-20.1000110.7Q27 H33 R34 L35Q27-D31 PolarHBondContact NE2-OD1 3.14Å; Q27-D31 VanDerWaalsContact O-CG 3.27Å; Q27-D31 PolarHBondContact O-N 2.84Å; D31-H33 VanDerWaalsContact C-N 3.32Å; D31-H33 PolarHBondContact O-N 3.2Å; D31-R34 WeakPolarHBondContact O-CB 3.47Å; D31-R34 PolarHBondContact O-N 3.01Å; D31-R34 VanDerWaalsContact O-N 3.14Å; D31-L35 WeakPolarHBondContact O-CB 3.5Å; D31-L35 VanDerWaalsContact O-CG 3.26Å; D31-L35 WeakPolarHBondContact O-CG 3.47Å; D31-L35 PolarHBondContact O-N 2.99Å
32G97.4Very high97.4Very high2 Ų256.7 Ų56.72%0.02128%0.275CS..Hα-helixtrans-57.2-42.2174.300000113.1R28 V29 E30 C36R28-G32 PolarHBondContact O-N 3.21Å; V29-G32 PolarHBondContact O-N 2.97Å; E30-G32 VanDerWaalsContact C-N 3.25Å; E30-G32 PolarHBondContact O-N 3.44Å; G32-C36 PolarHBondContact O-N 3.23Å; G32-C36 PolarHBondContact O-SG 2.72Å
33H97.6Very high97.4Very high60 Ų6058 Ų5828%0.27828%0.281SS..Hα-helixtrans-65.8-44.3174171.8-78.6000111.5V29 E30 D31 C36 Q114 F118 F126V29-H33 PolarHBondContact O-N 3Å; E30-H33 WeakPolarHBondContact O-CB 3.43Å; E30-H33 PolarHBondContact O-N 3.42Å; E30-H33 VanDerWaalsContact O-N 3.16Å; D31-H33 VanDerWaalsContact C-N 3.32Å; D31-H33 PolarHBondContact O-N 3.2Å; H33-C36 WeakPolarHBondContact O-CB 3.41Å; H33-C36 PolarHBondContact O-N 2.9Å; H33-Q114 PolarHBondContact CE1-NE2 3.3Å; H33-Q114 PolarHBondContact NE2-NE2 3.49Å; H33-Q114 PolarHBondContact O-NE2 2.96Å; H33-F118 HydrophobicContact CB-CD1 3.93Å; H33-F118 HydrophobicContact CB-CD2 3.86Å; H33-F118 HydrophobicContact CB-CE1 3.98Å; H33-F118 HydrophobicContact CB-CE2 3.9Å; H33-F118 HydrophobicContact CB-CG 3.87Å; H33-F118 HydrophobicContact CB-CZ 3.98Å; H33-F118 AromaticContact CD2-CD2 3.88Å; H33-F118 AromaticContact CD2-CG 3.9Å; H33-F118 VanDerWaalsContact N-CZ 3.29Å; H33-F126 HydrophobicContact CB-CE2 3.74Å; H33-F126 HydrophobicContact CB-CZ 3.8Å; H33-F126 AromaticContact CD2-CE1 3.52Å; H33-F126 AromaticContact CD2-CZ 3.25Å; H33-F126 WeakPolarHBondContact CD2-CZ 3.35Å; H33-F126 AromaticContact CE1-CZ 3.75Å; H33-F126 AromaticContact CG-CE1 3.99Å; H33-F126 AromaticContact CG-CE2 3.72Å; H33-F126 AromaticContact CG-CZ 3.25Å; H33-F126 AromaticContact ND1-CZ 3.57Å; H33-F126 AromaticContact NE2-CE1 3.83Å; H33-F126 AromaticContact NE2-CZ 3.57Å
34R97.6Very high97.5Very high167 Ų16752.3 Ų52.363%0.6326%0.261SS*.Hα-helixtrans-60-46.3178.5179.3-174.9170.1174.60.9111.4E30 D31 C36 G37 D38E30-R34 PolarHBondContact O-N 3.04Å; E30-R34 VanDerWaalsContact O-N 3.09Å; D31-R34 WeakPolarHBondContact O-CB 3.47Å; D31-R34 PolarHBondContact O-N 3.01Å; D31-R34 VanDerWaalsContact O-N 3.14Å; R34-C36 PolarHBondContact O-N 3.44Å; R34-G37 WeakPolarHBondContact O-CA 3.46Å; R34-G37 PolarHBondContact O-N 2.8Å; R34-D38 IonicContact NE-OD2 3.81Å; R34-D38 PolarHBondContact O-N 3.36Å
35L98.5Very high97.7Very high71 Ų7151.3 Ų51.337%0.37226%0.261SS..Hα-helixtrans-59.7-30-180-74170.6000113D31 G37 D38 L39 F242D31-L35 WeakPolarHBondContact O-CB 3.5Å; D31-L35 VanDerWaalsContact O-CG 3.26Å; D31-L35 WeakPolarHBondContact O-CG 3.47Å; D31-L35 PolarHBondContact O-N 2.99Å; L35-G37 VanDerWaalsContact C-N 3.34Å; L35-D38 PolarHBondContact O-N 2.88Å; L35-L39 WeakPolarHBondContact O-CB 3.31Å; L35-L39 PolarHBondContact O-N 3.33Å; L35-F242 HydrophobicContact CB-CE1 4.15Å; L35-F242 HydrophobicContact CB-CZ 3.92Å
36C98.2Very high97.7Very high0 Ų055.2 Ų55.20%027%0.274CS..Hα-helixtrans-63.8-40.6171.3-68.70000111.8G32 H33 R34 V40 V110 W113 Q114G32-C36 PolarHBondContact O-N 3.23Å; G32-C36 PolarHBondContact O-SG 2.72Å; H33-C36 WeakPolarHBondContact O-CB 3.41Å; H33-C36 PolarHBondContact O-N 2.9Å; R34-C36 PolarHBondContact O-N 3.44Å; C36-V40 WeakPolarHBondContact O-CG2 3.33Å; C36-V40 PolarHBondContact O-N 2.94Å; C36-V40 VanDerWaalsContact O-N 3.14Å; C36-V110 HydrophobicContact CB-CG1 3.93Å; C36-W113 VanDerWaalsContact SG-CZ3 3.54Å; C36-Q114 HydrophobicContact CB-CB 4.15Å; C36-Q114 HydrophobicContact CB-CG 3.94Å
37G97.9Very high97.8Very high31 Ų3154.7 Ų54.732%0.3227%0.271SS..Hα-helixtrans-65.1-4517500000112R34 L35 L39 V40 S41R34-G37 WeakPolarHBondContact O-CA 3.46Å; R34-G37 PolarHBondContact O-N 2.8Å; L35-G37 VanDerWaalsContact C-N 3.34Å; G37-L39 VanDerWaalsContact C-N 3.35Å; G37-L39 PolarHBondContact O-N 3.46Å; G37-V40 PolarHBondContact O-N 3.02Å; G37-S41 PolarHBondContact O-N 3.44Å
38D98.6Very high97.9Very high75 Ų7557.1 Ų57.140%0.40128%0.277SS..Hα-helixtrans-61.6-42.8178.1-62.6-20.4000111.1R34 L35 V40 S41 C42R34-D38 IonicContact NE-OD2 3.81Å; R34-D38 PolarHBondContact O-N 3.36Å; L35-D38 PolarHBondContact O-N 2.88Å; D38-V40 PolarHBondContact O-N 3.21Å; D38-S41 PolarHBondContact O-N 3.36Å; D38-C42 VanDerWaalsContact O-CB 3.25Å; D38-C42 WeakPolarHBondContact O-CB 3.45Å; D38-C42 PolarHBondContact O-N 2.98Å
39L98.5Very high98Very high20 Ų2059 Ų5911%0.10529%0.291CS..Hα-helixtrans-60.5-45176-176.168.6000111.7L35 G37 F43 V110 F242 L246 L249L35-L39 WeakPolarHBondContact O-CB 3.31Å; L35-L39 PolarHBondContact O-N 3.33Å; G37-L39 VanDerWaalsContact C-N 3.35Å; G37-L39 PolarHBondContact O-N 3.46Å; L39-F43 HydrophobicContact CD1-CD2 3.85Å; L39-F43 HydrophobicContact CD1-CE2 3.66Å; L39-F43 HydrophobicContact CG-CD2 4.43Å; L39-F43 WeakPolarHBondContact O-CD2 3.47Å; L39-F43 PolarHBondContact O-N 2.93Å; L39-V110 HydrophobicContact CD2-CG1 4.49Å; L39-V110 HydrophobicContact CD2-CG2 3.97Å; L39-F242 HydrophobicContact CB-CE1 4.4Å; L39-F242 HydrophobicContact CD2-CD1 4.26Å; L39-F242 HydrophobicContact CD2-CE1 4.1Å; L39-F242 HydrophobicContact CD2-CZ 4.35Å; L39-L246 HydrophobicContact CD1-CD2 4.08Å; L39-L249 HydrophobicContact CD1-CD1 4.49Å
40V98.6Very high98.1Very high13 Ų1358.4 Ų58.48%0.07929%0.287CS..Hα-helixtrans-63.3-47.1176.6170.80000111.1C36 G37 D38 C42 F43 Q44 V110 R111C36-V40 WeakPolarHBondContact O-CG2 3.33Å; C36-V40 PolarHBondContact O-N 2.94Å; C36-V40 VanDerWaalsContact O-N 3.14Å; G37-V40 PolarHBondContact O-N 3.02Å; D38-V40 PolarHBondContact O-N 3.21Å; V40-C42 VanDerWaalsContact C-N 3.35Å; V40-C42 PolarHBondContact O-N 3.42Å; V40-F43 PolarHBondContact O-N 3.33Å; V40-Q44 HydrophobicContact CG1-CG 4.22Å; V40-Q44 WeakPolarHBondContact O-CB 3.34Å; V40-Q44 VanDerWaalsContact O-CG 3.26Å; V40-Q44 WeakPolarHBondContact O-CG 3.33Å; V40-Q44 PolarHBondContact O-N 3.06Å; V40-V110 HydrophobicContact CG2-CB 3.67Å; V40-V110 HydrophobicContact CG2-CG1 3.58Å; V40-V110 HydrophobicContact CG2-CG2 4.41Å; V40-R111 VanDerWaalsContact CG1-NH2 3.25Å
41S98.5Very high98.3Very high50 Ų5059.6 Ų59.635%0.3529%0.291SS..Hα-helixtrans-60.1-46.3-180-165.60000111.6G37 D38 F43 Q44 E45G37-S41 PolarHBondContact O-N 3.44Å; D38-S41 PolarHBondContact O-N 3.36Å; S41-F43 PolarHBondContact O-N 3.34Å; S41-Q44 PolarHBondContact O-N 2.86Å; S41-E45 PolarHBondContact O-N 2.74Å; S41-E45 PolarHBondContact OG-OE1 2.93Å
42C98.7Very high98.4Very high71 Ų7158.7 Ų58.748%0.4829%0.292SS..Hα-helixtrans-54.5-50.3178.7178.30000112D38 V40 E45 R46D38-C42 VanDerWaalsContact O-CB 3.25Å; D38-C42 WeakPolarHBondContact O-CB 3.45Å; D38-C42 PolarHBondContact O-N 2.98Å; V40-C42 VanDerWaalsContact C-N 3.35Å; V40-C42 PolarHBondContact O-N 3.42Å; C42-E45 WeakPolarHBondContact O-CB 3.41Å; C42-E45 PolarHBondContact O-N 3.39Å; C42-R46 PolarHBondContact O-N 2.93Å; C42-R46 VanDerWaalsContact O-N 3.11Å
43F98.6Very high98.5Very high38 Ų3863.6 Ų63.617%0.16731%0.311CS..Hα-helixtrans-80.5-20.3-178.6-76.5-82.2000113.9L39 V40 S41 R46 A47 L102 L246 L249 L253L39-F43 HydrophobicContact CD1-CD2 3.85Å; L39-F43 HydrophobicContact CD1-CE2 3.66Å; L39-F43 HydrophobicContact CG-CD2 4.43Å; L39-F43 WeakPolarHBondContact O-CD2 3.47Å; L39-F43 PolarHBondContact O-N 2.93Å; V40-F43 PolarHBondContact O-N 3.33Å; S41-F43 PolarHBondContact O-N 3.34Å; F43-R46 PolarHBondContact O-N 3.29Å; F43-A47 WeakPolarHBondContact O-CB 3.47Å; F43-A47 PolarHBondContact O-N 3.32Å; F43-L102 HydrophobicContact CD1-CD2 4.25Å; F43-L246 HydrophobicContact CE2-CD2 4.16Å; F43-L246 HydrophobicContact CZ-CD2 4.27Å; F43-L249 HydrophobicContact CB-CD2 4.1Å; F43-L249 HydrophobicContact CD1-CB 4.41Å; F43-L249 HydrophobicContact CD1-CD1 4.23Å; F43-L249 HydrophobicContact CD1-CD2 3.66Å; F43-L249 HydrophobicContact CD1-CG 4.32Å; F43-L249 HydrophobicContact CD2-CD1 3.66Å; F43-L249 HydrophobicContact CD2-CD2 4.23Å; F43-L249 HydrophobicContact CE1-CB 4Å; F43-L249 HydrophobicContact CE1-CD1 4.08Å; F43-L249 HydrophobicContact CE1-CD2 4.11Å; F43-L249 HydrophobicContact CE1-CG 4.29Å; F43-L249 HydrophobicContact CE2-CD1 3.53Å; F43-L249 HydrophobicContact CG-CD1 4.02Å; F43-L249 HydrophobicContact CG-CD2 3.71Å; F43-L249 HydrophobicContact CG-CG 4.43Å; F43-L249 HydrophobicContact CZ-CB 4.24Å; F43-L249 HydrophobicContact CZ-CD1 3.74Å; F43-L249 HydrophobicContact CZ-CG 4.41Å; F43-L253 HydrophobicContact CE1-CD1 4.24Å
44Q98.3Very high98.5Very high35 Ų3560.7 Ų60.716%0.16430%0.298CS..Hα-helixtrans-69.4-37.5166.8-76.3-169.8-19.900112.3V40 S41 A47 R48 Q103V40-Q44 HydrophobicContact CG1-CG 4.22Å; V40-Q44 WeakPolarHBondContact O-CB 3.34Å; V40-Q44 VanDerWaalsContact O-CG 3.26Å; V40-Q44 WeakPolarHBondContact O-CG 3.33Å; V40-Q44 PolarHBondContact O-N 3.06Å; S41-Q44 PolarHBondContact O-N 2.86Å; Q44-A47 WeakPolarHBondContact O-CB 3.44Å; Q44-A47 PolarHBondContact O-N 3.11Å; Q44-R48 WeakPolarHBondContact O-CG 3.41Å; Q44-R48 PolarHBondContact O-N 3.05Å; Q44-R48 VanDerWaalsContact O-N 3.07Å; Q44-Q103 HydrophobicContact CG-CG 4.5Å
45E98.6Very high98.6Very high103 Ų10357 Ų5748%0.48129%0.287SS..Hα-helixtrans-61.6-46.3170.9-76.7168.7-145.300110.8S41 C42 A47 R48 I49S41-E45 PolarHBondContact O-N 2.74Å; S41-E45 PolarHBondContact OG-OE1 2.93Å; C42-E45 WeakPolarHBondContact O-CB 3.41Å; C42-E45 PolarHBondContact O-N 3.39Å; E45-A47 VanDerWaalsContact C-N 3.31Å; E45-A47 PolarHBondContact O-N 2.98Å; E45-R48 WeakPolarHBondContact O-CB 3.48Å; E45-R48 PolarHBondContact O-N 2.91Å; E45-R48 VanDerWaalsContact O-N 3.12Å; E45-I49 PolarHBondContact O-N 3.01Å
46R98.7Very high98.6Very high97 Ų9760.1 Ų60.137%0.36630%0.3SS..Hα-helixtrans-56.6-44.4172.1178.858.4-172.2-84.81.7112.2C42 F43 R48 I49 E50 L102 L253C42-R46 PolarHBondContact O-N 2.93Å; C42-R46 VanDerWaalsContact O-N 3.11Å; F43-R46 PolarHBondContact O-N 3.29Å; R46-R48 VanDerWaalsContact C-N 3.26Å; R46-R48 PolarHBondContact O-N 2.88Å; R46-I49 WeakPolarHBondContact O-CB 3.45Å; R46-I49 PolarHBondContact O-N 3.02Å; R46-E50 IonicContact CZ-OE1 3.91Å; R46-E50 IonicContact NE-OE1 3.14Å; R46-E50 PolarHBondContact NE-OE1 2.96Å; R46-E50 IonicContact NH2-OE1 3.17Å; R46-E50 PolarHBondContact NH2-OE1 3.4Å; R46-E50 WeakPolarHBondContact O-CG 3.43Å; R46-E50 PolarHBondContact O-N 3.44Å; R46-E50 VanDerWaalsContact O-N 3.1Å; R46-L102 HydrophobicContact CG-CD1 4.01Å; R46-L253 HydrophobicContact CG-CD2 4.31Å; R46-L253 VanDerWaalsContact CZ-CD2 3.45Å
47A98.7Very high98.6Very high0 Ų061.3 Ų61.30%031%0.306CS..Hα-helixtrans-61.3-31.8178.300000113.2F43 Q44 E45 E50 K51 R99 L102 Q103F43-A47 WeakPolarHBondContact O-CB 3.47Å; F43-A47 PolarHBondContact O-N 3.32Å; Q44-A47 WeakPolarHBondContact O-CB 3.44Å; Q44-A47 PolarHBondContact O-N 3.11Å; E45-A47 VanDerWaalsContact C-N 3.31Å; E45-A47 PolarHBondContact O-N 2.98Å; A47-E50 PolarHBondContact O-N 2.88Å; A47-K51 PolarHBondContact O-N 3.44Å; A47-K51 VanDerWaalsContact O-N 3.09Å; A47-R99 HydrophobicContact CB-CG 4.09Å; A47-R99 VanDerWaalsContact O-CG 3.25Å; A47-R99 WeakPolarHBondContact O-CG 3.29Å; A47-L102 HydrophobicContact CB-CB 3.85Å; A47-L102 HydrophobicContact CB-CD1 4.21Å; A47-Q103 HydrophobicContact CB-CB 4.08Å
48R98.7Very high98.7Very high137 Ų13760.6 Ų60.652%0.51730%0.298SS..Hα-helixtrans-67.6-37.3173.4-67177.9-158117.56.2111.9Q44 E45 R46 K51 A52Q44-R48 WeakPolarHBondContact O-CG 3.41Å; Q44-R48 PolarHBondContact O-N 3.05Å; Q44-R48 VanDerWaalsContact O-N 3.07Å; E45-R48 WeakPolarHBondContact O-CB 3.48Å; E45-R48 PolarHBondContact O-N 2.91Å; E45-R48 VanDerWaalsContact O-N 3.12Å; R46-R48 VanDerWaalsContact C-N 3.26Å; R46-R48 PolarHBondContact O-N 2.88Å; R48-K51 PolarHBondContact O-N 3.05Å; R48-A52 WeakPolarHBondContact O-CB 3.5Å; R48-A52 PolarHBondContact O-N 3.42Å
49I98.8Very high98.7Very high108 Ų10860.2 Ų60.255%0.55430%0.295SS*.Hα-helixtrans-62.1-47.2174.8-61.2170.5000109.9E45 R46 K51 A52 Y53E45-I49 PolarHBondContact O-N 3.01Å; R46-I49 WeakPolarHBondContact O-CB 3.45Å; R46-I49 PolarHBondContact O-N 3.02Å; I49-K51 VanDerWaalsContact C-N 3.35Å; I49-K51 PolarHBondContact O-N 3.25Å; I49-A52 PolarHBondContact O-N 2.9Å; I49-A52 VanDerWaalsContact O-N 3.16Å; I49-Y53 PolarHBondContact O-N 2.81Å
50E98.8Very high98.7Very high11 Ų1164.3 Ų64.35%0.05131%0.309CS..Hα-helixtrans-57-46.2176.9-61.6-58.8146.100111.9R46 A47 A52 Y53 A54 H95 V98 R99 L102R46-E50 IonicContact CZ-OE1 3.91Å; R46-E50 IonicContact NE-OE1 3.14Å; R46-E50 PolarHBondContact NE-OE1 2.96Å; R46-E50 IonicContact NH2-OE1 3.17Å; R46-E50 PolarHBondContact NH2-OE1 3.4Å; R46-E50 WeakPolarHBondContact O-CG 3.43Å; R46-E50 PolarHBondContact O-N 3.44Å; R46-E50 VanDerWaalsContact O-N 3.1Å; A47-E50 PolarHBondContact O-N 2.88Å; E50-A52 PolarHBondContact O-N 3.3Å; E50-Y53 PolarHBondContact O-N 2.91Å; E50-A54 WeakPolarHBondContact O-CB 3.24Å; E50-A54 PolarHBondContact O-N 3.4Å; E50-H95 IonicContact OE2-CE1 3.96Å; E50-H95 IonicContact OE2-CG 3.66Å; E50-H95 IonicContact OE2-ND1 2.73Å; E50-H95 PolarHBondContact OE2-ND1 3.32Å; E50-V98 HydrophobicContact CG-CG1 3.96Å; E50-R99 HydrophobicContact CB-CB 4.14Å; E50-L102 HydrophobicContact CG-CD1 4.4Å
51K98.7Very high98.7Very high98 Ų9863.7 Ų63.743%0.42631%0.306SS..Hα-helixtrans-61.3-43.4175.7-179.1177177.9-178.20112.6A47 R48 I49 A54 Q55 L96 R99A47-K51 PolarHBondContact O-N 3.44Å; A47-K51 VanDerWaalsContact O-N 3.09Å; R48-K51 PolarHBondContact O-N 3.05Å; I49-K51 VanDerWaalsContact C-N 3.35Å; I49-K51 PolarHBondContact O-N 3.25Å; K51-A54 PolarHBondContact O-N 2.95Å; K51-Q55 WeakPolarHBondContact O-CB 3.45Å; K51-Q55 PolarHBondContact O-N 3.39Å; K51-L96 HydrophobicContact CG-CD2 4.3Å; K51-R99 HydrophobicContact CB-CG 4.11Å
52A98.8Very high98.7Very high46 Ų4668.3 Ų68.338%0.3832%0.316SS..Hα-helixtrans-63.9-43.1-178.100000111.3R48 I49 E50 Q55 Q56R48-A52 WeakPolarHBondContact O-CB 3.5Å; R48-A52 PolarHBondContact O-N 3.42Å; I49-A52 PolarHBondContact O-N 2.9Å; I49-A52 VanDerWaalsContact O-N 3.16Å; E50-A52 PolarHBondContact O-N 3.3Å; A52-Q55 PolarHBondContact O-N 3.19Å; A52-Q56 WeakPolarHBondContact O-CG 3.36Å; A52-Q56 PolarHBondContact O-N 3.49Å; A52-Q56 VanDerWaalsContact O-N 3.08Å
53Y98.8Very high98.7Very high104 Ų10471.5 Ų71.541%0.40832%0.321SS..Hα-helixtrans-63.7-46.6175.9-179.7-125.3000112I49 E50 Q55 Q56 L57 H95I49-Y53 PolarHBondContact O-N 2.81Å; E50-Y53 PolarHBondContact O-N 2.91Å; Y53-Q55 VanDerWaalsContact C-N 3.33Å; Y53-Q55 PolarHBondContact O-N 3.37Å; Y53-Q56 PolarHBondContact O-N 2.89Å; Y53-L57 HydrophobicContact CD1-CD1 4.06Å; Y53-L57 HydrophobicContact CD2-CG 4.41Å; Y53-L57 HydrophobicContact CE1-CD1 3.6Å; Y53-L57 HydrophobicContact CE1-CG 4.39Å; Y53-L57 HydrophobicContact CE2-CD1 4.11Å; Y53-L57 HydrophobicContact CE2-CD2 4.25Å; Y53-L57 HydrophobicContact CE2-CG 4Å; Y53-L57 PolarHBondContact O-N 3.37Å; Y53-H95 AromaticContact CD1-CD2 3.71Å; Y53-H95 AromaticContact CD1-CE1 3.75Å; Y53-H95 AromaticContact CD1-CG 3.85Å; Y53-H95 AromaticContact CD1-ND1 3.86Å; Y53-H95 AromaticContact CD1-NE2 3.66Å; Y53-H95 AromaticContact CE1-CD2 3.69Å; Y53-H95 AromaticContact CE1-CE1 3.87Å; Y53-H95 AromaticContact CE1-NE2 3.4Å; Y53-H95 WeakPolarHBondContact CE1-NE2 3.41Å
54A98.8Very high98.7Very high0 Ų074.4 Ų74.40%033%0.331CS..Hα-helixtrans-56.8-46.2175.800000112.3E50 K51 Q56 L57 A58 S92 H95 L96E50-A54 WeakPolarHBondContact O-CB 3.24Å; E50-A54 PolarHBondContact O-N 3.4Å; K51-A54 PolarHBondContact O-N 2.95Å; A54-Q56 PolarHBondContact O-N 3.06Å; A54-L57 WeakPolarHBondContact O-CB 3.1Å; A54-L57 PolarHBondContact O-N 2.95Å; A54-A58 PolarHBondContact O-N 3.06Å; A54-S92 WeakPolarHBondContact CB-O 3.48Å; A54-S92 WeakPolarHBondContact O-CB 3.39Å; A54-S92 PolarHBondContact O-OG 3.32Å; A54-H95 HydrophobicContact CB-CB 3.89Å; A54-L96 HydrophobicContact CB-CD2 3.87Å; A54-L96 HydrophobicContact CB-CG 3.73Å
55Q98.7Very high98.7Very high88 Ų8875.1 Ų75.141%0.41133%0.332SS..Hα-helixtrans-60.7-45.1178.9-173.261.25600111.8K51 A52 Y53 L57 A58 D59K51-Q55 WeakPolarHBondContact O-CB 3.45Å; K51-Q55 PolarHBondContact O-N 3.39Å; A52-Q55 PolarHBondContact O-N 3.19Å; Y53-Q55 VanDerWaalsContact C-N 3.33Å; Y53-Q55 PolarHBondContact O-N 3.37Å; Q55-L57 VanDerWaalsContact C-N 3.34Å; Q55-L57 PolarHBondContact O-N 2.89Å; Q55-A58 PolarHBondContact O-N 3.36Å; Q55-D59 VanDerWaalsContact NE2-CG 3.26Å; Q55-D59 PolarHBondContact NE2-OD1 3.27Å; Q55-D59 PolarHBondContact NE2-OD2 3.47Å; Q55-D59 WeakPolarHBondContact O-CB 3.44Å; Q55-D59 VanDerWaalsContact O-CG 3.25Å; Q55-D59 PolarHBondContact O-N 3.01Å
56Q98.8Very high98.7Very high138 Ų13871.4 Ų71.465%0.64532%0.321SS*.Hα-helixtrans-62.8-39.6177.7-71.8-178.340.400112.4A52 Y53 A54 W60A52-Q56 WeakPolarHBondContact O-CG 3.36Å; A52-Q56 PolarHBondContact O-N 3.49Å; A52-Q56 VanDerWaalsContact O-N 3.08Å; Y53-Q56 PolarHBondContact O-N 2.89Å; A54-Q56 PolarHBondContact O-N 3.06Å; Q56-W60 VanDerWaalsContact O-CB 3.29Å; Q56-W60 WeakPolarHBondContact O-CB 3.46Å; Q56-W60 PolarHBondContact O-N 3.21Å
57L98.8Very high98.6Very high24 Ų2470.2 Ų70.213%0.12633%0.325CS..Hα-helixtrans-61.6-47.9173.9-76.4173.1000111.9Y53 A54 Q55 D59 W60 A61 A88 L91Y53-L57 HydrophobicContact CD1-CD1 4.06Å; Y53-L57 HydrophobicContact CD2-CG 4.41Å; Y53-L57 HydrophobicContact CE1-CD1 3.6Å; Y53-L57 HydrophobicContact CE1-CG 4.39Å; Y53-L57 HydrophobicContact CE2-CD1 4.11Å; Y53-L57 HydrophobicContact CE2-CD2 4.25Å; Y53-L57 HydrophobicContact CE2-CG 4Å; Y53-L57 PolarHBondContact O-N 3.37Å; A54-L57 WeakPolarHBondContact O-CB 3.1Å; A54-L57 PolarHBondContact O-N 2.95Å; Q55-L57 VanDerWaalsContact C-N 3.34Å; Q55-L57 PolarHBondContact O-N 2.89Å; L57-D59 PolarHBondContact O-N 3.49Å; L57-W60 PolarHBondContact O-N 2.89Å; L57-A61 WeakPolarHBondContact O-CB 3.43Å; L57-A61 PolarHBondContact O-N 3Å; L57-A88 HydrophobicContact CD2-CB 4.28Å; L57-L91 HydrophobicContact CD1-CB 4.16Å; L57-L91 HydrophobicContact CD1-CD2 3.84Å; L57-L91 HydrophobicContact CD1-CG 3.77Å
58A98.7Very high98.6Very high17 Ų1770.6 Ų70.614%0.1433%0.327CS..Hα-helixtrans-63.7-40.2179.700000112.3A54 Q55 R62A54-A58 PolarHBondContact O-N 3.06Å; Q55-A58 PolarHBondContact O-N 3.36Å; A58-R62 WeakPolarHBondContact O-CB 3.47Å; A58-R62 PolarHBondContact O-N 2.95Å
59D98.6Very high98.5Very high66 Ų6669.3 Ų69.335%0.35333%0.327SS..Hα-helixtrans-70-39.6178.2-68.1-26000111.9Q55 L57 R62 K63Q55-D59 VanDerWaalsContact NE2-CG 3.26Å; Q55-D59 PolarHBondContact NE2-OD1 3.27Å; Q55-D59 PolarHBondContact NE2-OD2 3.47Å; Q55-D59 WeakPolarHBondContact O-CB 3.44Å; Q55-D59 VanDerWaalsContact O-CG 3.25Å; Q55-D59 PolarHBondContact O-N 3.01Å; L57-D59 PolarHBondContact O-N 3.49Å; D59-R62 IonicContact OD1-CZ 3.57Å; D59-R62 IonicContact OD1-NH1 2.77Å; D59-R62 PolarHBondContact OD1-NH1 3.04Å; D59-R62 IonicContact OD1-NH2 3.74Å; D59-K63 VanDerWaalsContact O-CB 3.31Å; D59-K63 WeakPolarHBondContact O-CB 3.46Å; D59-K63 PolarHBondContact O-N 3.29Å
60W98.8Very high98.5Very high106 Ų10673.2 Ų73.240%0.40234%0.34SS..Hα-helixtrans-60-49.1172.5174.790.1000111.5Q56 L57 K63 W64 F84 F85 A88Q56-W60 VanDerWaalsContact O-CB 3.29Å; Q56-W60 WeakPolarHBondContact O-CB 3.46Å; Q56-W60 PolarHBondContact O-N 3.21Å; L57-W60 PolarHBondContact O-N 2.89Å; W60-K63 PolarHBondContact O-N 3.13Å; W60-W64 AromaticContact CD1-CD1 3.42Å; W60-W64 VanDerWaalsContact CD1-CD1 3.42Å; W60-W64 AromaticContact CD1-NE1 3.53Å; W60-W64 AromaticContact CE2-CD1 3.64Å; W60-W64 AromaticContact CG-CD1 3.89Å; W60-W64 AromaticContact NE1-CD1 3.23Å; W60-W64 AromaticContact NE1-NE1 3.31Å; W60-W64 VanDerWaalsContact O-CD1 3.31Å; W60-W64 PolarHBondContact O-N 2.72Å; W60-F84 HydrophobicContact CH2-CB 4.28Å; W60-F85 HydrophobicContact CE3-CD1 4.43Å; W60-F85 AromaticContact CH2-CD1 3.7Å; W60-F85 HydrophobicContact CH2-CD1 3.7Å; W60-F85 AromaticContact CH2-CE1 3.9Å; W60-F85 HydrophobicContact CH2-CE1 3.9Å; W60-F85 HydrophobicContact CZ2-CD1 4.42Å; W60-F85 HydrophobicContact CZ2-CE1 4.27Å; W60-F85 AromaticContact CZ3-CD1 3.71Å; W60-F85 HydrophobicContact CZ3-CD1 3.71Å; W60-F85 HydrophobicContact CZ3-CE1 4.36Å; W60-A88 HydrophobicContact CE3-CB 3.79Å; W60-A88 HydrophobicContact CZ3-CB 3.64Å
61A98.7Very high98.4Very high0 Ų074.3 Ų74.30%035%0.354CS..Hα-helixtrans-60.7-48.1179.600000111.5L57 K63 W64 R65 F85 A88 E89L57-A61 WeakPolarHBondContact O-CB 3.43Å; L57-A61 PolarHBondContact O-N 3Å; A61-K63 PolarHBondContact O-N 3.41Å; A61-W64 PolarHBondContact O-N 2.95Å; A61-R65 WeakPolarHBondContact O-CB 3.49Å; A61-R65 PolarHBondContact O-N 2.95Å; A61-F85 HydrophobicContact CB-CB 4.06Å; A61-A88 HydrophobicContact CB-CB 4.19Å; A61-E89 HydrophobicContact CB-CG 3.67Å
62R98.6Very high98.4Very high148 Ų14875.7 Ų75.756%0.55837%0.373SS*.Hα-helixtrans-59.9-44.3178.1-169-174.8-53113.69.8112.2A58 D59 G66A58-R62 WeakPolarHBondContact O-CB 3.47Å; A58-R62 PolarHBondContact O-N 2.95Å; D59-R62 IonicContact OD1-CZ 3.57Å; D59-R62 IonicContact OD1-NH1 2.77Å; D59-R62 PolarHBondContact OD1-NH1 3.04Å; D59-R62 IonicContact OD1-NH2 3.74Å; R62-G66 PolarHBondContact O-N 3.49Å
63K98.6Very high98.3Very high137 Ų13776.1 Ų76.160%0.59637%0.367SS*.Hα-helixtrans-61.4-52.4179.3176.1-177174.6-178.80111.4D59 W60 A61 T67D59-K63 VanDerWaalsContact O-CB 3.31Å; D59-K63 WeakPolarHBondContact O-CB 3.46Å; D59-K63 PolarHBondContact O-N 3.29Å; W60-K63 PolarHBondContact O-N 3.13Å; A61-K63 PolarHBondContact O-N 3.41Å; K63-T67 PolarHBondContact O-N 3.39Å; K63-T67 VanDerWaalsContact O-N 3.14Å; K63-T67 PolarHBondContact O-OG1 3.48Å
64W98.7Very high98.3Very high99 Ų9974 Ų7438%0.37536%0.359SS..Hα-helixtrans-75.7-34.2-173.7-76.1106.3000112.8W60 A61 G66 T67 V68 F85W60-W64 AromaticContact CD1-CD1 3.42Å; W60-W64 VanDerWaalsContact CD1-CD1 3.42Å; W60-W64 AromaticContact CD1-NE1 3.53Å; W60-W64 AromaticContact CE2-CD1 3.64Å; W60-W64 AromaticContact CG-CD1 3.89Å; W60-W64 AromaticContact NE1-CD1 3.23Å; W60-W64 AromaticContact NE1-NE1 3.31Å; W60-W64 VanDerWaalsContact O-CD1 3.31Å; W60-W64 PolarHBondContact O-N 2.72Å; A61-W64 PolarHBondContact O-N 2.95Å; W64-G66 PolarHBondContact O-N 3.5Å; W64-T67 HydrophobicContact CE3-CG2 4.26Å; W64-T67 HydrophobicContact CZ3-CG2 4.32Å; W64-T67 PolarHBondContact O-N 3.24Å; W64-T67 VanDerWaalsContact O-N 3.09Å; W64-V68 WeakPolarHBondContact O-CG2 3.47Å; W64-V68 PolarHBondContact O-N 3.04Å; W64-F85 HydrophobicContact CB-CD1 3.99Å; W64-F85 HydrophobicContact CB-CE1 3.4Å; W64-F85 VanDerWaalsContact CB-CE1 3.4Å; W64-F85 HydrophobicContact CB-CE2 4.42Å; W64-F85 HydrophobicContact CB-CZ 3.67Å; W64-F85 HydrophobicContact CG-CE1 4.36Å
65R98.4Very high98.2Very high51 Ų5175.2 Ų75.219%0.19237%0.372CS..Hα-helixtrans-52.6-55.6170.8-179.2179.3-57.5-71.86.4111.1A61 T67 V68 E69 H82 F85 T86 E89A61-R65 WeakPolarHBondContact O-CB 3.49Å; A61-R65 PolarHBondContact O-N 2.95Å; R65-T67 PolarHBondContact O-N 3Å; R65-V68 PolarHBondContact O-N 3.36Å; R65-E69 WeakPolarHBondContact CG-OE1 3.47Å; R65-E69 WeakPolarHBondContact O-CB 3.46Å; R65-E69 WeakPolarHBondContact O-CG 3.19Å; R65-E69 PolarHBondContact O-N 2.84Å; R65-H82 PolarHBondContact NH1-ND1 3.44Å; R65-F85 HydrophobicContact CB-CB 4.44Å; R65-F85 HydrophobicContact CB-CD2 3.81Å; R65-F85 HydrophobicContact CB-CE2 4.48Å; R65-F85 HydrophobicContact CB-CG 4.3Å; R65-F85 HydrophobicContact CG-CD2 4.46Å; R65-T86 PolarHBondContact NH2-OG1 2.78Å; R65-T86 VanDerWaalsContact NH2-OG1 3.11Å; R65-E89 IonicContact CZ-OE2 2.67Å; R65-E89 IonicContact NE-OE1 3.88Å; R65-E89 IonicContact NE-OE2 3.45Å; R65-E89 IonicContact NH2-OE1 2.8Å; R65-E89 IonicContact NH2-OE2 3.82Å; R65-E89 PolarHBondContact NH2-OE2 3.25Å
66G97.8Very high98.2Very high24 Ų2471.8 Ų71.825%0.24736%0.356CS..Hα-helixtrans-69.2-18.8178.800000114.6R62 W64 K70R62-G66 PolarHBondContact O-N 3.49Å; W64-G66 PolarHBondContact O-N 3.5Å; G66-K70 WeakPolarHBondContact O-CD 3.5Å; G66-K70 VanDerWaalsContact O-CG 3.29Å; G66-K70 WeakPolarHBondContact O-CG 3.4Å
67T98.3Very high98.2Very high73 Ų7369.3 Ų69.345%0.44835%0.347SS..Hα-helixtrans-80.2-42174.7-57.30000111.1K63 W64 R65 G71K63-T67 PolarHBondContact O-N 3.39Å; K63-T67 VanDerWaalsContact O-N 3.14Å; K63-T67 PolarHBondContact O-OG1 3.48Å; W64-T67 HydrophobicContact CE3-CG2 4.26Å; W64-T67 HydrophobicContact CZ3-CG2 4.32Å; W64-T67 PolarHBondContact O-N 3.24Å; W64-T67 VanDerWaalsContact O-N 3.09Å; R65-T67 PolarHBondContact O-N 3Å; T67-G71 PolarHBondContact O-N 2.94Å; T67-G71 VanDerWaalsContact O-N 3.1Å
68V98.1Very high98.2Very high7 Ų770.3 Ų70.34%0.04235%0.351CS..Hα-helixtrans-68.7-44.4177.5173.10000110.8W64 R65 K70 G71 E78 W81 F85W64-V68 WeakPolarHBondContact O-CG2 3.47Å; W64-V68 PolarHBondContact O-N 3.04Å; R65-V68 PolarHBondContact O-N 3.36Å; V68-K70 PolarHBondContact O-N 3.18Å; V68-G71 WeakPolarHBondContact O-CA 3.45Å; V68-G71 PolarHBondContact O-N 2.96Å; V68-E78 HydrophobicContact CG1-CG 3.92Å; V68-W81 HydrophobicContact CG1-CD2 4.42Å; V68-W81 HydrophobicContact CG1-CE3 4.21Å; V68-W81 HydrophobicContact CG2-CD2 3.94Å; V68-W81 HydrophobicContact CG2-CE3 4.16Å; V68-W81 HydrophobicContact CG2-CG 4.42Å; V68-W81 HydrophobicContact CG2-CH2 4.42Å; V68-W81 HydrophobicContact CG2-CZ2 4.21Å; V68-W81 HydrophobicContact CG2-CZ3 4.39Å; V68-F85 HydrophobicContact CB-CE2 4.2Å; V68-F85 HydrophobicContact CG2-CE2 3.92Å; V68-F85 HydrophobicContact CG2-CZ 3.79Å
69E97.1Very high98.1Very high111 Ų11176.7 Ų76.752%0.51938%0.376SS..Hα-helixtrans-58.7-31.5177.2-79.7163.4-170.100113.4R65 H82R65-E69 WeakPolarHBondContact CG-OE1 3.47Å; R65-E69 WeakPolarHBondContact O-CB 3.46Å; R65-E69 WeakPolarHBondContact O-CG 3.19Å; R65-E69 PolarHBondContact O-N 2.84Å; E69-H82 IonicContact OE1-CE1 3.68Å
70K97.8Very high98.1Very high190 Ų19073.8 Ų73.883%0.82636%0.361SS*.THydrogen-bonded Turntrans-90.7-8.8176.3-66.9177-174.1177.10112.7G66 V68G66-K70 WeakPolarHBondContact O-CD 3.5Å; G66-K70 VanDerWaalsContact O-CG 3.29Å; G66-K70 WeakPolarHBondContact O-CG 3.4Å; V68-K70 PolarHBondContact O-N 3.18Å
71G97.4Very high98.1Very high33 Ų3374.2 Ų74.234%0.3436%0.363SS..SBendtrans-78175.6-179.600000111.8T67 V68 Q73T67-G71 PolarHBondContact O-N 2.94Å; T67-G71 VanDerWaalsContact O-N 3.1Å; V68-G71 WeakPolarHBondContact O-CA 3.45Å; V68-G71 PolarHBondContact O-N 2.96Å; G71-Q73 VanDerWaalsContact C-N 3.28Å; G71-Q73 PolarHBondContact O-N 3.39Å
72P97.7Very high98.1Very high128 Ų12875.4 Ų75.483%0.83137%0.368SS*.SBendtrans-83.6-1178.434.7-36.6000113.5Y74P72-Y74 WeakPolarHBondContact O-CD1 3.42Å
73Q98.1Very high98.1Very high55 Ų5569.1 Ų69.126%0.25735%0.348SS..  trans-75.9138.4178.7-17758.157.800109.5G71 E78 W81G71-Q73 VanDerWaalsContact C-N 3.28Å; G71-Q73 PolarHBondContact O-N 3.39Å; Q73-E78 HydrophobicContact CG-CB 4.02Å; Q73-E78 HydrophobicContact CG-CG 4.34Å; Q73-W81 HydrophobicContact CG-CE3 4.2Å; Q73-W81 HydrophobicContact CG-CZ3 4.46Å
74Y97.1Very high98.1Very high60 Ų6067.1 Ų67.124%0.23534%0.339CS..  trans-138.5178.1-177.858.3-90.6000111.3P72 E78 D280 W283 W284P72-Y74 WeakPolarHBondContact O-CD1 3.42Å; Y74-E78 VanDerWaalsContact C-CB 3.46Å; Y74-E78 VanDerWaalsContact CA-OE2 3.32Å; Y74-E78 WeakPolarHBondContact CA-OE2 3.42Å; Y74-E78 PolarHBondContact O-N 3.14Å; Y74-D280 HydrophobicContact CE2-CB 4.49Å; Y74-W283 HydrophobicContact CD1-CZ3 4.4Å; Y74-W283 AromaticContact CD2-CE3 3.52Å; Y74-W283 HydrophobicContact CD2-CE3 3.52Å; Y74-W283 HydrophobicContact CD2-CH2 4.45Å; Y74-W283 AromaticContact CD2-CZ3 3.43Å; Y74-W283 HydrophobicContact CD2-CZ3 3.43Å; Y74-W283 VanDerWaalsContact CD2-CZ3 3.43Å; Y74-W283 AromaticContact CE2-CE3 3.63Å; Y74-W283 HydrophobicContact CE2-CE3 3.63Å; Y74-W283 AromaticContact CE2-CZ3 3.75Å; Y74-W283 HydrophobicContact CE2-CZ3 3.75Å; Y74-W283 HydrophobicContact CG-CE3 4.36Å; Y74-W283 AromaticContact CG-CZ3 3.81Å; Y74-W283 HydrophobicContact CG-CZ3 3.81Å; Y74-W284 HydrophobicContact CD1-CE3 4.12Å; Y74-W284 AromaticContact CD1-CZ3 3.85Å; Y74-W284 HydrophobicContact CD1-CZ3 3.85Å; Y74-W284 HydrophobicContact CE1-CD2 4.35Å; Y74-W284 AromaticContact CE1-CE3 3.3Å; Y74-W284 HydrophobicContact CE1-CE3 3.3Å; Y74-W284 HydrophobicContact CE1-CH2 4.25Å; Y74-W284 AromaticContact CE1-CZ3 3.22Å; Y74-W284 HydrophobicContact CE1-CZ3 3.22Å; Y74-W284 HydrophobicContact CE2-CB 4.45Å; Y74-W284 AromaticContact CE2-CE3 3.84Å; Y74-W284 HydrophobicContact CE2-CE3 3.84Å; Y74-W284 AromaticContact CZ-CD2 3.93Å; Y74-W284 AromaticContact CZ-CE3 3.14Å; Y74-W284 AromaticContact CZ-CZ3 3.64Å
75G97.7Very high98.1Very high25 Ų2562.4 Ų62.426%0.25832%0.322SS..Hα-helixtrans78.5-154.7164.100000114.4L77 E78 K79G75-L77 VanDerWaalsContact C-N 3.34Å; G75-E78 PolarHBondContact O-N 2.89Å; G75-K79 PolarHBondContact O-N 3.34Å
76T98.3Very high98.1Very high15 Ų1562.8 Ų62.89%0.09233%0.329CS..Hα-helixtrans-69.1-32.7179.962.80000111.9K79 A80 S276 E279 D280T76-K79 WeakPolarHBondContact O-CB 3.38Å; T76-K79 PolarHBondContact O-N 3.24Å; T76-A80 PolarHBondContact O-N 3.43Å; T76-S276 PolarHBondContact OG1-N 2.84Å; T76-S276 PolarHBondContact OG1-O 3.09Å; T76-E279 HydrophobicContact CG2-CB 4.47Å; T76-E279 VanDerWaalsContact CG2-OE2 3.27Å; T76-E279 WeakPolarHBondContact CG2-OE2 3.45Å; T76-D280 WeakPolarHBondContact CB-OD1 3.34Å; T76-D280 WeakPolarHBondContact CG2-OD1 3.31Å; T76-D280 PolarHBondContact N-OD1 3.41Å; T76-D280 PolarHBondContact N-OD2 3.49Å; T76-D280 PolarHBondContact OG1-OD1 3.13Å; T76-D280 PolarHBondContact OG1-OD2 3.13Å
77L98.4Very high98.1Very high86 Ų8662.1 Ų62.145%0.4532%0.322SS..Hα-helixtrans-66.8-36.1174.7-175.962000112.5G75 A80 W81 D280G75-L77 VanDerWaalsContact C-N 3.34Å; L77-A80 PolarHBondContact O-N 3.05Å; L77-W81 PolarHBondContact O-N 3.5Å; L77-D280 PolarHBondContact N-OD2 3.41Å; L77-D280 VanDerWaalsContact N-OD2 3.09Å
78E98.4Very high98.1Very high45 Ų4559 Ų5921%0.2130%0.304CS..Hα-helixtrans-61.2-44.8172.3-166-163.8170.300110.9V68 Q73 Y74 G75 A80 W81 H82V68-E78 HydrophobicContact CG1-CG 3.92Å; Q73-E78 HydrophobicContact CG-CB 4.02Å; Q73-E78 HydrophobicContact CG-CG 4.34Å; Y74-E78 VanDerWaalsContact C-CB 3.46Å; Y74-E78 VanDerWaalsContact CA-OE2 3.32Å; Y74-E78 WeakPolarHBondContact CA-OE2 3.42Å; Y74-E78 PolarHBondContact O-N 3.14Å; G75-E78 PolarHBondContact O-N 2.89Å; E78-A80 PolarHBondContact O-N 2.98Å; E78-W81 WeakPolarHBondContact O-CB 3.44Å; E78-W81 PolarHBondContact O-N 3.45Å; E78-W81 VanDerWaalsContact O-N 3.15Å; E78-H82 PolarHBondContact O-CD2 3.37Å; E78-H82 PolarHBondContact O-N 3.27Å; E78-H82 IonicContact OE1-NE2 2.71Å
79K98.1Very high98.2Very high151 Ų15162.2 Ų62.266%0.65732%0.318SS*.Hα-helixtrans-61-42.5176.2-66.5176-176173.50112.2G75 T76 W81 H82 A83G75-K79 PolarHBondContact O-N 3.34Å; T76-K79 WeakPolarHBondContact O-CB 3.38Å; T76-K79 PolarHBondContact O-N 3.24Å; K79-W81 VanDerWaalsContact C-N 3.31Å; K79-W81 PolarHBondContact O-N 3.18Å; K79-H82 WeakPolarHBondContact O-CB 3.29Å; K79-H82 PolarHBondContact O-N 2.94Å; K79-A83 PolarHBondContact O-N 3.46Å
80A98.5Very high98.2Very high5 Ų560.5 Ų60.54%0.04131%0.307CS..Hα-helixtrans-61-39.8174.600000111.9T76 L77 E78 A83 G271 A275T76-A80 PolarHBondContact O-N 3.43Å; L77-A80 PolarHBondContact O-N 3.05Å; E78-A80 PolarHBondContact O-N 2.98Å; A80-A83 VanDerWaalsContact O-CB 3.29Å; A80-A83 WeakPolarHBondContact O-CB 3.39Å; A80-A83 PolarHBondContact O-N 2.93Å; A80-G271 WeakPolarHBondContact CB-O 3.41Å; A80-A275 HydrophobicContact CB-CB 4.01Å
81W98.3Very high98.3Very high116 Ų11652.5 Ų52.544%0.43927%0.273SS..Hα-helixtrans-66-43174.2-157.6-12000111.6V68 Q73 L77 E78 K79 A83 F84 F85V68-W81 HydrophobicContact CG1-CD2 4.42Å; V68-W81 HydrophobicContact CG1-CE3 4.21Å; V68-W81 HydrophobicContact CG2-CD2 3.94Å; V68-W81 HydrophobicContact CG2-CE3 4.16Å; V68-W81 HydrophobicContact CG2-CG 4.42Å; V68-W81 HydrophobicContact CG2-CH2 4.42Å; V68-W81 HydrophobicContact CG2-CZ2 4.21Å; V68-W81 HydrophobicContact CG2-CZ3 4.39Å; Q73-W81 HydrophobicContact CG-CE3 4.2Å; Q73-W81 HydrophobicContact CG-CZ3 4.46Å; L77-W81 PolarHBondContact O-N 3.5Å; E78-W81 WeakPolarHBondContact O-CB 3.44Å; E78-W81 PolarHBondContact O-N 3.45Å; E78-W81 VanDerWaalsContact O-N 3.15Å; K79-W81 VanDerWaalsContact C-N 3.31Å; K79-W81 PolarHBondContact O-N 3.18Å; W81-A83 PolarHBondContact O-N 2.93Å; W81-F84 WeakPolarHBondContact O-CB 3.39Å; W81-F84 PolarHBondContact O-N 3.09Å; W81-F84 VanDerWaalsContact O-N 3.14Å; W81-F85 AromaticContact CD1-CZ 3.58Å; W81-F85 HydrophobicContact CG-CZ 4.3Å; W81-F85 AromaticContact NE1-CZ 3.75Å
82H98.5Very high98.3Very high24 Ų2451.3 Ų51.311%0.11126%0.259CS..Hα-helixtrans-60-27.5174.5-83.7-66.4000114R65 E69 E78 K79 F84 F85 T86R65-H82 PolarHBondContact NH1-ND1 3.44Å; E69-H82 IonicContact OE1-CE1 3.68Å; E78-H82 PolarHBondContact O-CD2 3.37Å; E78-H82 PolarHBondContact O-N 3.27Å; E78-H82 IonicContact OE1-NE2 2.71Å; K79-H82 WeakPolarHBondContact O-CB 3.29Å; K79-H82 PolarHBondContact O-N 2.94Å; H82-F84 PolarHBondContact O-N 3.38Å; H82-F85 HydrophobicContact CB-CD2 4.45Å; H82-F85 AromaticContact ND1-CD2 3.48Å; H82-F85 WeakPolarHBondContact ND1-CD2 3.47Å; H82-F85 AromaticContact ND1-CE2 3.76Å; H82-F85 PolarHBondContact O-N 3.02Å; H82-F85 VanDerWaalsContact O-N 3.13Å; H82-T86 PolarHBondContact O-N 2.86Å; H82-T86 VanDerWaalsContact O-N 3.13Å; H82-T86 PolarHBondContact O-OG1 2.78Å
83A98.5Very high98.4Very high17 Ų1747.4 Ų47.414%0.1424%0.238CC..Hα-helixtrans-59.6-33.5176.400000112.2K79 A80 W81 F85 T86 A87 L268K79-A83 PolarHBondContact O-N 3.46Å; A80-A83 VanDerWaalsContact O-CB 3.29Å; A80-A83 WeakPolarHBondContact O-CB 3.39Å; A80-A83 PolarHBondContact O-N 2.93Å; W81-A83 PolarHBondContact O-N 2.93Å; A83-F85 PolarHBondContact O-N 3.43Å; A83-T86 PolarHBondContact O-N 3.49Å; A83-A87 WeakPolarHBondContact O-CB 3.5Å; A83-A87 PolarHBondContact O-N 3.09Å; A83-L268 HydrophobicContact CB-CD1 3.81Å
84F98.7Very high98.4Very high95 Ų9545.2 Ų45.242%0.41723%0.228SC..Hα-helixtrans-63-41.4174.9-77-93.1000112.4W60 W81 H82 A87 A88 L268 I272W60-F84 HydrophobicContact CH2-CB 4.28Å; W81-F84 WeakPolarHBondContact O-CB 3.39Å; W81-F84 PolarHBondContact O-N 3.09Å; W81-F84 VanDerWaalsContact O-N 3.14Å; H82-F84 PolarHBondContact O-N 3.38Å; F84-A87 PolarHBondContact O-N 3.29Å; F84-A88 PolarHBondContact O-N 3.32Å; F84-L268 HydrophobicContact CB-CD1 4.45Å; F84-L268 HydrophobicContact CD1-CD1 4.16Å; F84-L268 HydrophobicContact CD1-CD2 4.25Å; F84-L268 HydrophobicContact CD2-CD1 3.94Å; F84-L268 HydrophobicContact CE1-CD1 4.4Å; F84-L268 HydrophobicContact CE1-CD2 4.28Å; F84-L268 HydrophobicContact CE2-CD1 4.19Å; F84-L268 HydrophobicContact CG-CD1 3.93Å; F84-L268 HydrophobicContact CZ-CD1 4.42Å; F84-I272 HydrophobicContact CE2-CD1 3.65Å; F84-I272 HydrophobicContact CE2-CG1 4Å; F84-I272 HydrophobicContact CZ-CD1 3.66Å
85F98.5Very high98.5Very high0 Ų043.6 Ų43.60%022%0.222CC..Hα-helixtrans-68.6-40.5-179.9-46.3-37.8000110.7W60 A61 W64 R65 V68 W81 H82 A83 A88 E89W60-F85 HydrophobicContact CE3-CD1 4.43Å; W60-F85 AromaticContact CH2-CD1 3.7Å; W60-F85 HydrophobicContact CH2-CD1 3.7Å; W60-F85 AromaticContact CH2-CE1 3.9Å; W60-F85 HydrophobicContact CH2-CE1 3.9Å; W60-F85 HydrophobicContact CZ2-CD1 4.42Å; W60-F85 HydrophobicContact CZ2-CE1 4.27Å; W60-F85 AromaticContact CZ3-CD1 3.71Å; W60-F85 HydrophobicContact CZ3-CD1 3.71Å; W60-F85 HydrophobicContact CZ3-CE1 4.36Å; A61-F85 HydrophobicContact CB-CB 4.06Å; W64-F85 HydrophobicContact CB-CD1 3.99Å; W64-F85 HydrophobicContact CB-CE1 3.4Å; W64-F85 VanDerWaalsContact CB-CE1 3.4Å; W64-F85 HydrophobicContact CB-CE2 4.42Å; W64-F85 HydrophobicContact CB-CZ 3.67Å; W64-F85 HydrophobicContact CG-CE1 4.36Å; R65-F85 HydrophobicContact CB-CB 4.44Å; R65-F85 HydrophobicContact CB-CD2 3.81Å; R65-F85 HydrophobicContact CB-CE2 4.48Å; R65-F85 HydrophobicContact CB-CG 4.3Å; R65-F85 HydrophobicContact CG-CD2 4.46Å; V68-F85 HydrophobicContact CB-CE2 4.2Å; V68-F85 HydrophobicContact CG2-CE2 3.92Å; V68-F85 HydrophobicContact CG2-CZ 3.79Å; W81-F85 AromaticContact CD1-CZ 3.58Å; W81-F85 HydrophobicContact CG-CZ 4.3Å; W81-F85 AromaticContact NE1-CZ 3.75Å; H82-F85 HydrophobicContact CB-CD2 4.45Å; H82-F85 AromaticContact ND1-CD2 3.48Å; H82-F85 WeakPolarHBondContact ND1-CD2 3.47Å; H82-F85 AromaticContact ND1-CE2 3.76Å; H82-F85 PolarHBondContact O-N 3.02Å; H82-F85 VanDerWaalsContact O-N 3.13Å; A83-F85 PolarHBondContact O-N 3.43Å; F85-A88 PolarHBondContact O-N 3.22Å; F85-E89 WeakPolarHBondContact O-CG 3.48Å; F85-E89 PolarHBondContact O-N 3.2Å
86T98.5Very high98.5Very high58 Ų5845.4 Ų45.436%0.35623%0.226SC..Hα-helixtrans-63.1-41.6174.6-57.50000111.6R65 H82 A83 E89 R90R65-T86 PolarHBondContact NH2-OG1 2.78Å; R65-T86 VanDerWaalsContact NH2-OG1 3.11Å; H82-T86 PolarHBondContact O-N 2.86Å; H82-T86 VanDerWaalsContact O-N 3.13Å; H82-T86 PolarHBondContact O-OG1 2.78Å; A83-T86 PolarHBondContact O-N 3.49Å; T86-E89 PolarHBondContact O-N 3.3Å; T86-R90 WeakPolarHBondContact O-CG 3.45Å; T86-R90 PolarHBondContact O-N 3.2Å
87A98.6Very high98.5Very high10 Ų1048.3 Ų48.38%0.08324%0.239CC..Hα-helixtrans-62.8-42.2175.100000111.9A83 F84 R90 L91 L264 L268A83-A87 WeakPolarHBondContact O-CB 3.5Å; A83-A87 PolarHBondContact O-N 3.09Å; F84-A87 PolarHBondContact O-N 3.29Å; A87-R90 PolarHBondContact O-N 3.35Å; A87-L91 WeakPolarHBondContact O-CB 3.43Å; A87-L91 PolarHBondContact O-N 2.97Å; A87-L264 HydrophobicContact CB-CD1 4.05Å; A87-L268 HydrophobicContact CB-CB 4.21Å; A87-L268 HydrophobicContact CB-CD1 4.45Å; A87-L268 HydrophobicContact CB-CD2 4.11Å
88A98.7Very high98.5Very high9 Ų944.4 Ų44.47%0.07422%0.218CC..Hα-helixtrans-65.1-40.2176.500000113L57 W60 A61 F84 F85 L91 S92L57-A88 HydrophobicContact CD2-CB 4.28Å; W60-A88 HydrophobicContact CE3-CB 3.79Å; W60-A88 HydrophobicContact CZ3-CB 3.64Å; A61-A88 HydrophobicContact CB-CB 4.19Å; F84-A88 PolarHBondContact O-N 3.32Å; F85-A88 PolarHBondContact O-N 3.22Å; A88-L91 PolarHBondContact O-N 3.13Å; A88-S92 WeakPolarHBondContact O-CB 3.34Å; A88-S92 PolarHBondContact O-N 3.42Å
89E98.5Very high98.5Very high73 Ų7344.7 Ų44.734%0.34122%0.218SC..Hα-helixtrans-63.3-41.2174.8-74.9166162.100111.7A61 R65 F85 T86 S92 A93A61-E89 HydrophobicContact CB-CG 3.67Å; R65-E89 IonicContact CZ-OE2 2.67Å; R65-E89 IonicContact NE-OE1 3.88Å; R65-E89 IonicContact NE-OE2 3.45Å; R65-E89 IonicContact NH2-OE1 2.8Å; R65-E89 IonicContact NH2-OE2 3.82Å; R65-E89 PolarHBondContact NH2-OE2 3.25Å; F85-E89 WeakPolarHBondContact O-CG 3.48Å; F85-E89 PolarHBondContact O-N 3.2Å; T86-E89 PolarHBondContact O-N 3.3Å; E89-S92 WeakPolarHBondContact O-CB 3.45Å; E89-S92 PolarHBondContact O-N 3.09Å; E89-A93 PolarHBondContact O-N 3.46Å
90R98.5Very high98.5Very high75 Ų7542.1 Ų42.128%0.28321%0.208SC..Hα-helixtrans-66.9-42.6175-71.3173.170.8179.16.5112.2T86 A87 S92 A93 L94 E263 L264 D267T86-R90 WeakPolarHBondContact O-CG 3.45Å; T86-R90 PolarHBondContact O-N 3.2Å; A87-R90 PolarHBondContact O-N 3.35Å; R90-S92 VanDerWaalsContact C-N 3.34Å; R90-A93 WeakPolarHBondContact O-CB 3.42Å; R90-A93 PolarHBondContact O-N 3.48Å; R90-L94 PolarHBondContact O-N 2.71Å; R90-L94 VanDerWaalsContact O-N 3.1Å; R90-E263 VanDerWaalsContact NH2-CG 3.35Å; R90-E263 IonicContact NH2-OE2 3.86Å; R90-E263 PolarHBondContact NH2-OE2 2.95Å; R90-L264 HydrophobicContact CB-CB 4.19Å; R90-D267 IonicContact CZ-OD2 3.66Å; R90-D267 IonicContact NH1-OD2 3.24Å; R90-D267 PolarHBondContact NH1-OD2 3.25Å; R90-D267 IonicContact NH2-OD2 3.63Å; R90-D267 PolarHBondContact NH2-OD2 3.4Å
91L98.7Very high98.5Very high22 Ų2245 Ų4512%0.11522%0.219CC..Hα-helixtrans-62.9-43175.5-178.459.5000111.1L57 A87 A88 A93 L94 H95 F261 L264L57-L91 HydrophobicContact CD1-CB 4.16Å; L57-L91 HydrophobicContact CD1-CD2 3.84Å; L57-L91 HydrophobicContact CD1-CG 3.77Å; A87-L91 WeakPolarHBondContact O-CB 3.43Å; A87-L91 PolarHBondContact O-N 2.97Å; A88-L91 PolarHBondContact O-N 3.13Å; L91-A93 VanDerWaalsContact C-N 3.32Å; L91-A93 PolarHBondContact O-N 3.13Å; L91-L94 WeakPolarHBondContact O-CB 3.31Å; L91-L94 PolarHBondContact O-N 3.12Å; L91-L94 VanDerWaalsContact O-N 3.17Å; L91-H95 PolarHBondContact O-CD2 3.02Å; L91-H95 VanDerWaalsContact O-CD2 3.29Å; L91-H95 PolarHBondContact O-N 2.82Å; L91-H95 VanDerWaalsContact O-N 3.07Å; L91-F261 HydrophobicContact CD1-CD2 3.95Å; L91-F261 HydrophobicContact CD1-CE2 3.72Å; L91-L264 HydrophobicContact CB-CD2 4.27Å; L91-L264 HydrophobicContact CD1-CD2 4.43Å
92S98.7Very high98.5Very high8 Ų839.5 Ų39.56%0.05620%0.198CC..Hα-helixtrans-54.2-47.7171.8165.40000111.7A54 A88 E89 R90 L94 H95 L96A54-S92 WeakPolarHBondContact CB-O 3.48Å; A54-S92 WeakPolarHBondContact O-CB 3.39Å; A54-S92 PolarHBondContact O-OG 3.32Å; A88-S92 WeakPolarHBondContact O-CB 3.34Å; A88-S92 PolarHBondContact O-N 3.42Å; E89-S92 WeakPolarHBondContact O-CB 3.45Å; E89-S92 PolarHBondContact O-N 3.09Å; R90-S92 VanDerWaalsContact C-N 3.34Å; S92-L94 VanDerWaalsContact C-N 3.31Å; S92-L94 PolarHBondContact O-N 2.6Å; S92-H95 PolarHBondContact O-N 3.05Å; S92-L96 WeakPolarHBondContact O-CG 3.41Å; S92-L96 PolarHBondContact O-N 3.36Å
93A98.6Very high98.5Very high46 Ų4641.3 Ų41.338%0.3821%0.207SC..Hα-helixtrans-59.6-40.117800000112.5E89 R90 L91 L96 E97E89-A93 PolarHBondContact O-N 3.46Å; R90-A93 WeakPolarHBondContact O-CB 3.42Å; R90-A93 PolarHBondContact O-N 3.48Å; L91-A93 VanDerWaalsContact C-N 3.32Å; L91-A93 PolarHBondContact O-N 3.13Å; A93-L96 PolarHBondContact O-N 2.79Å; A93-E97 WeakPolarHBondContact O-CG 3.26Å; A93-E97 PolarHBondContact O-N 2.95Å
94L98.6Very high98.4Very high10 Ų1041.9 Ų41.95%0.05222%0.215CC..Hα-helixtrans-61.8-46.3175-68.5174.7000112.1R90 L91 S92 L96 E97 V98 L255 K260 F261 L264R90-L94 PolarHBondContact O-N 2.71Å; R90-L94 VanDerWaalsContact O-N 3.1Å; L91-L94 WeakPolarHBondContact O-CB 3.31Å; L91-L94 PolarHBondContact O-N 3.12Å; L91-L94 VanDerWaalsContact O-N 3.17Å; S92-L94 VanDerWaalsContact C-N 3.31Å; S92-L94 PolarHBondContact O-N 2.6Å; L94-L96 VanDerWaalsContact C-N 3.29Å; L94-L96 PolarHBondContact O-N 2.98Å; L94-E97 WeakPolarHBondContact O-CB 3.16Å; L94-E97 PolarHBondContact O-N 2.81Å; L94-E97 VanDerWaalsContact O-N 3.12Å; L94-V98 WeakPolarHBondContact O-CG2 3.39Å; L94-V98 PolarHBondContact O-N 3.15Å; L94-L255 HydrophobicContact CB-CD2 4.34Å; L94-K260 HydrophobicContact CD1-CB 4.46Å; L94-K260 HydrophobicContact CD2-CB 3.83Å; L94-K260 HydrophobicContact CD2-CD 3.81Å; L94-F261 HydrophobicContact CD1-CB 3.93Å; L94-F261 HydrophobicContact CD1-CD2 4.09Å; L94-L264 HydrophobicContact CD1-CD2 3.73Å
95H98.8Very high98.3Very high25 Ų2543.4 Ų43.412%0.11622%0.223CC..Hα-helixtrans-65.2-31.8177.4-79.2-80.9000112.6E50 Y53 A54 L91 S92 V98 R99E50-H95 IonicContact OE2-CE1 3.96Å; E50-H95 IonicContact OE2-CG 3.66Å; E50-H95 IonicContact OE2-ND1 2.73Å; E50-H95 PolarHBondContact OE2-ND1 3.32Å; Y53-H95 AromaticContact CD1-CD2 3.71Å; Y53-H95 AromaticContact CD1-CE1 3.75Å; Y53-H95 AromaticContact CD1-CG 3.85Å; Y53-H95 AromaticContact CD1-ND1 3.86Å; Y53-H95 AromaticContact CD1-NE2 3.66Å; Y53-H95 AromaticContact CE1-CD2 3.69Å; Y53-H95 AromaticContact CE1-CE1 3.87Å; Y53-H95 AromaticContact CE1-NE2 3.4Å; Y53-H95 WeakPolarHBondContact CE1-NE2 3.41Å; A54-H95 HydrophobicContact CB-CB 3.89Å; L91-H95 PolarHBondContact O-CD2 3.02Å; L91-H95 VanDerWaalsContact O-CD2 3.29Å; L91-H95 PolarHBondContact O-N 2.82Å; L91-H95 VanDerWaalsContact O-N 3.07Å; S92-H95 PolarHBondContact O-N 3.05Å; H95-V98 PolarHBondContact O-N 3Å; H95-R99 PolarHBondContact O-N 3.24Å
96L98.6Very high98.3Very high64 Ų6443.7 Ų43.734%0.33523%0.225SC..Hα-helixtrans-66.7-41.4169.6-69.2175.5000112.1K51 A54 S92 A93 L94 V98 R99 E100K51-L96 HydrophobicContact CG-CD2 4.3Å; A54-L96 HydrophobicContact CB-CD2 3.87Å; A54-L96 HydrophobicContact CB-CG 3.73Å; S92-L96 WeakPolarHBondContact O-CG 3.41Å; S92-L96 PolarHBondContact O-N 3.36Å; A93-L96 PolarHBondContact O-N 2.79Å; L94-L96 VanDerWaalsContact C-N 3.29Å; L94-L96 PolarHBondContact O-N 2.98Å; L96-V98 VanDerWaalsContact C-N 3.31Å; L96-V98 PolarHBondContact O-N 3.2Å; L96-R99 WeakPolarHBondContact O-CB 3.39Å; L96-R99 PolarHBondContact O-N 3.37Å; L96-E100 WeakPolarHBondContact O-CG 3.5Å; L96-E100 PolarHBondContact O-N 3.07Å
97E98.3Very high98.3Very high76 Ų7641.1 Ų41.136%0.35521%0.209SC..Hα-helixtrans-58.5-42.4173.3-71.2-178.7-159.900111.4A93 L94 E100 K101 K260A93-E97 WeakPolarHBondContact O-CG 3.26Å; A93-E97 PolarHBondContact O-N 2.95Å; L94-E97 WeakPolarHBondContact O-CB 3.16Å; L94-E97 PolarHBondContact O-N 2.81Å; L94-E97 VanDerWaalsContact O-N 3.12Å; E97-E100 PolarHBondContact O-N 3.04Å; E97-K101 WeakPolarHBondContact O-CG 3.35Å; E97-K101 PolarHBondContact O-N 3.02Å; E97-K101 VanDerWaalsContact O-N 3.1Å; E97-K260 IonicContact OE1-NZ 3.28Å; E97-K260 PolarHBondContact OE1-NZ 3.12Å; E97-K260 IonicContact OE2-NZ 3.71Å; E97-K260 PolarHBondContact OE2-NZ 3.06Å
98V98.6Very high98.3Very high4 Ų444.7 Ų44.72%0.02422%0.224CC..Hα-helixtrans-59.3-49.2174.1177.10000110.4E50 L94 H95 L96 E100 K101 L102 H252 L253 L255E50-V98 HydrophobicContact CG-CG1 3.96Å; L94-V98 WeakPolarHBondContact O-CG2 3.39Å; L94-V98 PolarHBondContact O-N 3.15Å; H95-V98 PolarHBondContact O-N 3Å; L96-V98 VanDerWaalsContact C-N 3.31Å; L96-V98 PolarHBondContact O-N 3.2Å; V98-E100 VanDerWaalsContact C-N 3.34Å; V98-E100 PolarHBondContact O-N 3.32Å; V98-K101 PolarHBondContact O-N 3.31Å; V98-L102 HydrophobicContact CG1-CD1 3.97Å; V98-L102 HydrophobicContact CG1-CG 4.29Å; V98-L102 WeakPolarHBondContact O-CG 3.47Å; V98-L102 PolarHBondContact O-N 3.4Å; V98-H252 WeakPolarHBondContact CG2-O 3.21Å; V98-L253 HydrophobicContact CG1-CD2 3.77Å; V98-L255 HydrophobicContact CG2-CD2 3.89Å; V98-L255 HydrophobicContact CG2-CG 4.46Å
99R98.4Very high98.3Very high51 Ų5149.2 Ų49.219%0.19224%0.239CC..Hα-helixtrans-56.3-45.7177.1175.2-98178.4174.5-1.8112.4A47 E50 K51 H95 L96 K101 L102 Q103A47-R99 HydrophobicContact CB-CG 4.09Å; A47-R99 VanDerWaalsContact O-CG 3.25Å; A47-R99 WeakPolarHBondContact O-CG 3.29Å; E50-R99 HydrophobicContact CB-CB 4.14Å; K51-R99 HydrophobicContact CB-CG 4.11Å; H95-R99 PolarHBondContact O-N 3.24Å; L96-R99 WeakPolarHBondContact O-CB 3.39Å; L96-R99 PolarHBondContact O-N 3.37Å; R99-K101 VanDerWaalsContact C-N 3.32Å; R99-K101 PolarHBondContact O-N 2.93Å; R99-L102 PolarHBondContact O-N 3.05Å; R99-Q103 WeakPolarHBondContact O-CB 3.13Å; R99-Q103 PolarHBondContact O-N 3.19Å
100E98.4Very high98.3Very high96 Ų9646 Ų4645%0.44922%0.224SC..Hα-helixtrans-62.4-39.9179.8-68.7-44.6129.200112.1L96 E97 V98 G104L96-E100 WeakPolarHBondContact O-CG 3.5Å; L96-E100 PolarHBondContact O-N 3.07Å; E97-E100 PolarHBondContact O-N 3.04Å; V98-E100 VanDerWaalsContact C-N 3.34Å; V98-E100 PolarHBondContact O-N 3.32Å; E100-G104 VanDerWaalsContact O-CA 3.25Å; E100-G104 WeakPolarHBondContact O-CA 3.28Å; E100-G104 PolarHBondContact O-N 2.99Å
101K98.4Very high98.3Very high66 Ų6645.4 Ų45.429%0.28722%0.222SC..Iπ-helixtrans-64.4-49.9177-71.4171.9-179.2177.10111.7E97 V98 R99 Q105 D106 H252E97-K101 WeakPolarHBondContact O-CG 3.35Å; E97-K101 PolarHBondContact O-N 3.02Å; E97-K101 VanDerWaalsContact O-N 3.1Å; V98-K101 PolarHBondContact O-N 3.31Å; R99-K101 VanDerWaalsContact C-N 3.32Å; R99-K101 PolarHBondContact O-N 2.93Å; K101-Q105 PolarHBondContact O-N 3.2Å; K101-D106 PolarHBondContact O-N 3.3Å; K101-H252 HydrophobicContact CB-CB 4.22Å; K101-H252 HydrophobicContact CD-CB 4.15Å
102L98.5Very high98.2Very high0 Ų046.7 Ų46.70%024%0.236CC..Iπ-helixtrans-63.5-50.7-179.2-65179000112.4F43 R46 A47 E50 V98 R99 S107 L249 L253F43-L102 HydrophobicContact CD1-CD2 4.25Å; R46-L102 HydrophobicContact CG-CD1 4.01Å; A47-L102 HydrophobicContact CB-CB 3.85Å; A47-L102 HydrophobicContact CB-CD1 4.21Å; E50-L102 HydrophobicContact CG-CD1 4.4Å; V98-L102 HydrophobicContact CG1-CD1 3.97Å; V98-L102 HydrophobicContact CG1-CG 4.29Å; V98-L102 WeakPolarHBondContact O-CG 3.47Å; V98-L102 PolarHBondContact O-N 3.4Å; R99-L102 PolarHBondContact O-N 3.05Å; L102-S107 PolarHBondContact O-N 2.74Å; L102-S107 PolarHBondContact O-OG 2.95Å; L102-L249 HydrophobicContact CD2-CD2 3.51Å; L102-L253 HydrophobicContact CD1-CD2 3.86Å; L102-L253 HydrophobicContact CD2-CG 4.4Å
103Q96.8Very high98.2Very high63 Ų6349.1 Ų49.129%0.29424%0.244SC..Iπ-helixtrans-78.9-30.8-175-177.8169.67.800113.1Q44 A47 R99 S107Q44-Q103 HydrophobicContact CG-CG 4.5Å; A47-Q103 HydrophobicContact CB-CB 4.08Å; R99-Q103 WeakPolarHBondContact O-CB 3.13Å; R99-Q103 PolarHBondContact O-N 3.19Å; Q103-S107 WeakPolarHBondContact O-CB 3.4Å; Q103-S107 PolarHBondContact O-OG 2.98Å
104G96.8Very high98.2Very high29 Ų2948.5 Ų48.530%0.29923%0.233SC..Iπ-helixtrans-92.6-84.7179.800000111.3E100 D106 E108E100-G104 VanDerWaalsContact O-CA 3.25Å; E100-G104 WeakPolarHBondContact O-CA 3.28Å; E100-G104 PolarHBondContact O-N 2.99Å; G104-D106 PolarHBondContact O-N 3.09Å; G104-E108 WeakPolarHBondContact O-CB 3.19Å; G104-E108 PolarHBondContact O-N 3.45Å
105Q97.3Very high98.1Very high127 Ų12755 Ų5559%0.59326%0.257SS*.Iπ-helixtrans-60-51.6-168.1-59.6-177.623.700112.8K101 E108 R109K101-Q105 PolarHBondContact O-N 3.2Å; Q105-E108 PolarHBondContact O-N 3.44Å; Q105-R109 WeakPolarHBondContact O-CB 3.37Å; Q105-R109 PolarHBondContact O-N 3.13Å
106D98.3Very high98Very high6 Ų656.3 Ų56.33%0.03228%0.277CS..Iπ-helixtrans-69.8-43.2-175.5-63.3-33.5000111.6K101 G104 E108 R109 V110 M245 T248 L249 H252K101-D106 PolarHBondContact O-N 3.3Å; G104-D106 PolarHBondContact O-N 3.09Å; D106-E108 PolarHBondContact O-N 2.84Å; D106-R109 WeakPolarHBondContact O-CB 3.48Å; D106-R109 PolarHBondContact O-N 2.84Å; D106-V110 WeakPolarHBondContact O-CG2 3.45Å; D106-V110 PolarHBondContact O-N 3.39Å; D106-M245 HydrophobicContact CB-CE 3.93Å; D106-T248 WeakPolarHBondContact OD1-CG2 3.37Å; D106-L249 HydrophobicContact CB-CD2 3.8Å; D106-L249 WeakPolarHBondContact OD2-CD2 3.4Å; D106-H252 VanDerWaalsContact CG-ND1 3.31Å; D106-H252 IonicContact OD1-CE1 2.92Å; D106-H252 PolarHBondContact OD1-CE1 2.98Å; D106-H252 IonicContact OD1-ND1 3.75Å; D106-H252 PolarHBondContact OD1-ND1 3.25Å; D106-H252 VanDerWaalsContact OD1-ND1 3.14Å; D106-H252 IonicContact OD2-CE1 3.66Å; D106-H252 IonicContact OD2-CG 2.73Å; D106-H252 IonicContact OD2-ND1 3.76Å; D106-H252 PolarHBondContact OD2-ND1 3.46Å
107S98.4Very high97.9Very high3 Ų354.7 Ų54.72%0.02127%0.273CS..Hα-helixtrans-60.3-44.9175.8-67.50000111.7L102 Q103 R109 V110 R111L102-S107 PolarHBondContact O-N 2.74Å; L102-S107 PolarHBondContact O-OG 2.95Å; Q103-S107 WeakPolarHBondContact O-CB 3.4Å; Q103-S107 PolarHBondContact O-OG 2.98Å; S107-R109 VanDerWaalsContact C-N 3.34Å; S107-V110 PolarHBondContact O-N 3.25Å; S107-R111 WeakPolarHBondContact O-CG 3.41Å; S107-R111 PolarHBondContact O-N 3.46Å
108E98.3Very high97.8Very high85 Ų8552.2 Ų52.240%0.39726%0.261SS..Hα-helixtrans-67.4-34.5176.6-79.2-50.4119.300112.7G104 Q105 D106 R111 A112 R115G104-E108 WeakPolarHBondContact O-CB 3.19Å; G104-E108 PolarHBondContact O-N 3.45Å; Q105-E108 PolarHBondContact O-N 3.44Å; D106-E108 PolarHBondContact O-N 2.84Å; E108-R111 PolarHBondContact O-N 2.81Å; E108-R111 WeakPolarHBondContact OE1-CD 3.48Å; E108-R111 IonicContact OE1-CZ 3.59Å; E108-R111 IonicContact OE1-NE 3.96Å; E108-R111 IonicContact OE1-NH1 3.3Å; E108-R111 PolarHBondContact OE1-NH1 3.41Å; E108-A112 WeakPolarHBondContact O-CB 3.29Å; E108-A112 PolarHBondContact O-N 3.24Å; E108-R115 IonicContact OE2-NH1 3.75Å; E108-R115 IonicContact OE2-NH2 3.1Å
109R98.4Very high97.7Very high105 Ų10555.8 Ų55.840%0.39628%0.277SS..Hα-helixtrans-61.9-44.4175.1-171.4167.6179.7-152.1-1.8111.7Q105 D106 S107 W113 F241 D244 M245 T248Q105-R109 WeakPolarHBondContact O-CB 3.37Å; Q105-R109 PolarHBondContact O-N 3.13Å; D106-R109 WeakPolarHBondContact O-CB 3.48Å; D106-R109 PolarHBondContact O-N 2.84Å; S107-R109 VanDerWaalsContact C-N 3.34Å; R109-W113 WeakPolarHBondContact O-CB 3.37Å; R109-W113 PolarHBondContact O-N 3.44Å; R109-F241 HydrophobicContact CG-CE2 4.38Å; R109-D244 IonicContact CZ-OD2 3.29Å; R109-D244 IonicContact NH1-OD2 3.79Å; R109-D244 PolarHBondContact NH1-OD2 2.96Å; R109-D244 IonicContact NH2-OD2 3.15Å; R109-D244 PolarHBondContact NH2-OD2 3.14Å; R109-M245 HydrophobicContact CB-SD 4.09Å; R109-M245 WeakPolarHBondContact CD-SD 3.47Å; R109-M245 HydrophobicContact CG-SD 3.68Å; R109-T248 PolarHBondContact NH1-OG1 2.84Å; R109-T248 VanDerWaalsContact NH1-OG1 3.09Å
110V98.6Very high97.4Very high4 Ų463 Ų632%0.02430%0.304CS..Hα-helixtrans-64.8-46.4174.5179.10000111.5C36 L39 V40 D106 S107 A112 W113 Q114 F241 M245C36-V110 HydrophobicContact CB-CG1 3.93Å; L39-V110 HydrophobicContact CD2-CG1 4.49Å; L39-V110 HydrophobicContact CD2-CG2 3.97Å; V40-V110 HydrophobicContact CG2-CB 3.67Å; V40-V110 HydrophobicContact CG2-CG1 3.58Å; V40-V110 HydrophobicContact CG2-CG2 4.41Å; D106-V110 WeakPolarHBondContact O-CG2 3.45Å; D106-V110 PolarHBondContact O-N 3.39Å; S107-V110 PolarHBondContact O-N 3.25Å; V110-A112 PolarHBondContact O-N 3.48Å; V110-W113 PolarHBondContact O-N 2.8Å; V110-Q114 WeakPolarHBondContact O-CB 3.2Å; V110-Q114 PolarHBondContact O-N 3.38Å; V110-F241 HydrophobicContact CB-CZ 4.48Å; V110-F241 HydrophobicContact CG1-CE1 4.45Å; V110-F241 HydrophobicContact CG2-CE1 4.22Å; V110-F241 HydrophobicContact CG2-CZ 4.15Å; V110-M245 HydrophobicContact CG2-CE 4.45Å; V110-M245 HydrophobicContact CG2-CG 4.05Å; V110-M245 HydrophobicContact CG2-SD 4.33Å
111R98.1Very high96.9Very high63 Ų6359.6 Ų59.624%0.23829%0.291CS..Hα-helixtrans-63.8-38.8178.3-69.9179.9-168.7112.710.4112.7V40 S107 E108 Q114 R115V40-R111 VanDerWaalsContact CG1-NH2 3.25Å; S107-R111 WeakPolarHBondContact O-CG 3.41Å; S107-R111 PolarHBondContact O-N 3.46Å; E108-R111 PolarHBondContact O-N 2.81Å; E108-R111 WeakPolarHBondContact OE1-CD 3.48Å; E108-R111 IonicContact OE1-CZ 3.59Å; E108-R111 IonicContact OE1-NE 3.96Å; E108-R111 IonicContact OE1-NH1 3.3Å; E108-R111 PolarHBondContact OE1-NH1 3.41Å; R111-Q114 PolarHBondContact O-N 3.47Å; R111-R115 WeakPolarHBondContact O-CG 3.45Å; R111-R115 PolarHBondContact O-N 3.31Å
112A98.3Very high96.3Very high49 Ų4964 Ų6441%0.40532%0.323SS..Hα-helixtrans-64.9-45.6177.200000111.2E108 V110 R115 G116E108-A112 WeakPolarHBondContact O-CB 3.29Å; E108-A112 PolarHBondContact O-N 3.24Å; V110-A112 PolarHBondContact O-N 3.48Å; A112-R115 PolarHBondContact O-N 2.9Å; A112-G116 PolarHBondContact O-N 3.02Å; A112-G116 VanDerWaalsContact O-N 3.12Å
113W98.5Very high95.5Very high60 Ų6070.9 Ų70.923%0.22736%0.359CS..Hα-helixtrans-60.9-45.8173.9-174.889.7000111.4C36 R109 V110 R115 G116 A117 F118 R238 F241C36-W113 VanDerWaalsContact SG-CZ3 3.54Å; R109-W113 WeakPolarHBondContact O-CB 3.37Å; R109-W113 PolarHBondContact O-N 3.44Å; V110-W113 PolarHBondContact O-N 2.8Å; W113-R115 PolarHBondContact O-N 3.26Å; W113-G116 PolarHBondContact O-N 3.33Å; W113-G116 VanDerWaalsContact O-N 3.12Å; W113-A117 HydrophobicContact CD2-CB 4.24Å; W113-A117 HydrophobicContact CE3-CB 4.14Å; W113-A117 HydrophobicContact CH2-CB 3.79Å; W113-A117 HydrophobicContact CZ2-CB 3.95Å; W113-A117 HydrophobicContact CZ3-CB 3.92Å; W113-A117 VanDerWaalsContact O-CB 3.32Å; W113-A117 WeakPolarHBondContact O-CB 3.3Å; W113-A117 PolarHBondContact O-N 2.9Å; W113-F118 HydrophobicContact CH2-CE2 4.25Å; W113-F118 AromaticContact CZ3-CE2 3.76Å; W113-F118 HydrophobicContact CZ3-CE2 3.76Å; W113-F118 HydrophobicContact CZ3-CZ 4.41Å; W113-R238 HydrophobicContact CH2-CB 3.65Å; W113-R238 HydrophobicContact CH2-CG 3.58Å; W113-R238 HydrophobicContact CZ2-CB 4.11Å; W113-R238 HydrophobicContact CZ2-CG 4.41Å; W113-R238 HydrophobicContact CZ3-CG 4.07Å; W113-F241 HydrophobicContact CB-CD1 4.32Å; W113-F241 HydrophobicContact CB-CD2 4.2Å; W113-F241 HydrophobicContact CB-CE1 3.82Å; W113-F241 HydrophobicContact CB-CE2 3.67Å; W113-F241 HydrophobicContact CB-CZ 3.47Å; W113-F241 VanDerWaalsContact CB-CZ 3.47Å; W113-F241 AromaticContact CD1-CD2 3.46Å; W113-F241 VanDerWaalsContact CD1-CD2 3.46Å; W113-F241 AromaticContact CD1-CE2 3.81Å; W113-F241 AromaticContact CD1-CG 3.66Å; W113-F241 HydrophobicContact CD2-CB 4.38Å; W113-F241 AromaticContact CD2-CD1 3.51Å; W113-F241 HydrophobicContact CD2-CD1 3.51Å; W113-F241 HydrophobicContact CD2-CD2 4.24Å; W113-F241 AromaticContact CD2-CE1 3.82Å; W113-F241 HydrophobicContact CD2-CE1 3.82Å; W113-F241 HydrophobicContact CD2-CE2 4.49Å; W113-F241 AromaticContact CD2-CG 3.76Å; W113-F241 HydrophobicContact CD2-CG 3.76Å; W113-F241 HydrophobicContact CD2-CZ 4.31Å; W113-F241 AromaticContact CE2-CD1 3.9Å; W113-F241 AromaticContact CE2-CG 3.77Å; W113-F241 AromaticContact CE3-CD1 3.76Å; W113-F241 HydrophobicContact CE3-CD1 3.76Å; W113-F241 AromaticContact CE3-CE1 3.94Å; W113-F241 HydrophobicContact CE3-CE1 3.94Å; W113-F241 HydrophobicContact CE3-CG 4.45Å; W113-F241 AromaticContact CG-CD1 3.74Å; W113-F241 HydrophobicContact CG-CD1 3.74Å; W113-F241 AromaticContact CG-CD2 3.7Å; W113-F241 HydrophobicContact CG-CD2 3.7Å; W113-F241 AromaticContact CG-CE1 3.75Å; W113-F241 HydrophobicContact CG-CE1 3.75Å; W113-F241 AromaticContact CG-CE2 3.7Å; W113-F241 HydrophobicContact CG-CE2 3.7Å; W113-F241 AromaticContact CG-CG 3.73Å; W113-F241 HydrophobicContact CG-CG 3.73Å; W113-F241 AromaticContact CG-CZ 3.74Å; W113-F241 HydrophobicContact CG-CZ 3.74Å; W113-F241 HydrophobicContact CZ2-CB 4.28Å; W113-F241 HydrophobicContact CZ3-CD1 4.38Å; W113-F241 AromaticContact NE1-CD2 3.87Å; W113-F241 AromaticContact NE1-CG 3.66Å
114Q97.6Very high95.1Very high32 Ų3269 Ų6915%0.1536%0.356CS..Hα-helixtrans-58.7-44.9178.2-172.1-173.337.100112H33 C36 V110 R111 G116 A117 F118H33-Q114 PolarHBondContact CE1-NE2 3.3Å; H33-Q114 PolarHBondContact NE2-NE2 3.49Å; H33-Q114 PolarHBondContact O-NE2 2.96Å; C36-Q114 HydrophobicContact CB-CB 4.15Å; C36-Q114 HydrophobicContact CB-CG 3.94Å; V110-Q114 WeakPolarHBondContact O-CB 3.2Å; V110-Q114 PolarHBondContact O-N 3.38Å; R111-Q114 PolarHBondContact O-N 3.47Å; Q114-G116 VanDerWaalsContact C-N 3.29Å; Q114-G116 PolarHBondContact O-N 2.87Å; Q114-A117 PolarHBondContact O-N 3.46Å; Q114-F118 HydrophobicContact CG-CD2 3.97Å; Q114-F118 WeakPolarHBondContact O-CD2 3.48Å; Q114-F118 PolarHBondContact O-N 3.13Å
115R96.5Very high94.7Very high148 Ų14869.1 Ų69.156%0.55836%0.358SS*.Hα-helixtrans-62.7-34.4176-74.3-174.3-61.6-100.24.5113E108 R111 A112 W113E108-R115 IonicContact OE2-NH1 3.75Å; E108-R115 IonicContact OE2-NH2 3.1Å; R111-R115 WeakPolarHBondContact O-CG 3.45Å; R111-R115 PolarHBondContact O-N 3.31Å; A112-R115 PolarHBondContact O-N 2.9Å; W113-R115 PolarHBondContact O-N 3.26Å
116G96.8Very high94.6Very high52 Ų5264.3 Ų64.354%0.53634%0.335SS..Hα-helixtrans-80.8-27.6178.100000114A112 W113 Q114 H119A112-G116 PolarHBondContact O-N 3.02Å; A112-G116 VanDerWaalsContact O-N 3.12Å; W113-G116 PolarHBondContact O-N 3.33Å; W113-G116 VanDerWaalsContact O-N 3.12Å; Q114-G116 VanDerWaalsContact C-N 3.29Å; Q114-G116 PolarHBondContact O-N 2.87Å; G116-H119 PolarHBondContact O-CE1 3.45Å
117A96.7Very high94.5Very high30 Ų3071.8 Ų71.825%0.24836%0.363CS..Hα-helixtrans-88.9-28.4-177.800000113.5W113 Q114W113-A117 HydrophobicContact CD2-CB 4.24Å; W113-A117 HydrophobicContact CE3-CB 4.14Å; W113-A117 HydrophobicContact CH2-CB 3.79Å; W113-A117 HydrophobicContact CZ2-CB 3.95Å; W113-A117 HydrophobicContact CZ3-CB 3.92Å; W113-A117 VanDerWaalsContact O-CB 3.32Å; W113-A117 WeakPolarHBondContact O-CB 3.3Å; W113-A117 PolarHBondContact O-N 2.9Å; Q114-A117 PolarHBondContact O-N 3.46Å
118F96.8Very high94.4Very high23 Ų2374.3 Ų74.310%0.10137%0.374CS..  trans-126.3117.6-173.5-58.4-75.9000112V29 H33 W113 Q114 F126V29-F118 HydrophobicContact CG1-CE1 4.12Å; V29-F118 VanDerWaalsContact O-CE1 3.23Å; V29-F118 WeakPolarHBondContact O-CE1 3.2Å; H33-F118 HydrophobicContact CB-CD1 3.93Å; H33-F118 HydrophobicContact CB-CD2 3.86Å; H33-F118 HydrophobicContact CB-CE1 3.98Å; H33-F118 HydrophobicContact CB-CE2 3.9Å; H33-F118 HydrophobicContact CB-CG 3.87Å; H33-F118 HydrophobicContact CB-CZ 3.98Å; H33-F118 AromaticContact CD2-CD2 3.88Å; H33-F118 AromaticContact CD2-CG 3.9Å; H33-F118 VanDerWaalsContact N-CZ 3.29Å; W113-F118 HydrophobicContact CH2-CE2 4.25Å; W113-F118 AromaticContact CZ3-CE2 3.76Å; W113-F118 HydrophobicContact CZ3-CE2 3.76Å; W113-F118 HydrophobicContact CZ3-CZ 4.41Å; Q114-F118 HydrophobicContact CG-CD2 3.97Å; Q114-F118 WeakPolarHBondContact O-CD2 3.48Å; Q114-F118 PolarHBondContact O-N 3.13Å; F118-F126 HydrophobicContact CB-CD1 3.74Å; F118-F126 HydrophobicContact CB-CE1 3.91Å; F118-F126 HydrophobicContact CB-CG 4.33Å; F118-F126 HydrophobicContact CD1-CG 4.46Å
119H96.5Very high94.3Very high79 Ų7970.5 Ų70.537%0.36636%0.357SS..  trans-106.6119.9-175.1-62.187.9000111.8G116 P121 F126 R127 E128G116-H119 PolarHBondContact O-CE1 3.45Å; H119-P121 WeakPolarHBondContact O-CD 3.22Å; H119-F126 WeakPolarHBondContact O-CA 3.42Å; H119-R127 HydrophobicContact CB-CB 4.22Å; H119-R127 HydrophobicContact CB-CG 3.98Å; H119-R127 PolarHBondContact O-N 3.29Å; H119-E128 IonicContact CE1-OE1 3.69Å; H119-E128 IonicContact CG-OE1 2.84Å; H119-E128 PolarHBondContact N-OE2 3.04Å; H119-E128 IonicContact ND1-OE1 3.7Å; H119-E128 PolarHBondContact ND1-OE1 3.28Å
120R91.6Very high94.2Very high202 Ų20270.1 Ų70.176%0.76236%0.355SS*.  trans-70.679.6176.3172-142.7-152.9-127.59.5118.7G125 F126R120-G125 WeakPolarHBondContact CB-O 3.32Å; R120-F126 HydrophobicContact CB-CD1 3.89Å; R120-F126 HydrophobicContact CB-CE1 4.05Å
121P87.1Confident94.1Very high26 Ų2673 Ų7317%0.16938%0.38CS..  trans-69.2157.9174.130.4-38.5000112.5H119 L123 G124 G125 R127H119-P121 WeakPolarHBondContact O-CD 3.22Å; P121-L123 PolarHBondContact O-N 2.96Å; P121-L123 VanDerWaalsContact O-N 3.15Å; P121-G124 PolarHBondContact O-N 2.85Å; P121-G124 VanDerWaalsContact O-N 3.11Å; P121-G125 VanDerWaalsContact CD-O 3.27Å; P121-G125 WeakPolarHBondContact CD-O 3.4Å; P121-R127 HydrophobicContact CG-CG 4.3Å
122V85.8Confident94Very high158 Ų15870.6 Ų70.696%0.95837%0.373SS*.THydrogen-bonded Turntrans-55.1-33.9179.4179.20000112.8G124V122-G124 PolarHBondContact O-N 2.9Å
123L82.6Confident94Very high144 Ų14470.9 Ų70.975%0.75437%0.366SS*.THydrogen-bonded Turntrans-80.39.1-177-70.1165.9000114P121 R130P121-L123 PolarHBondContact O-N 2.96Å; P121-L123 VanDerWaalsContact O-N 3.15Å; L123-R130 VanDerWaalsContact C-NH2 3.27Å; L123-R130 PolarHBondContact O-NH2 3.32Å
124G87.4Confident93.9Very high23 Ų2372.8 Ų72.824%0.23738%0.381CS..SBendtrans78.6170.4-178.400000114.7P121 V122 R130P121-G124 PolarHBondContact O-N 2.85Å; P121-G124 VanDerWaalsContact O-N 3.11Å; V122-G124 PolarHBondContact O-N 2.9Å; G124-R130 VanDerWaalsContact O-CZ 3.27Å; G124-R130 PolarHBondContact O-NE 2.91Å; G124-R130 PolarHBondContact O-NH2 3.39Å
125G89.2Confident93.9Very high33 Ų3372.7 Ų72.734%0.3439%0.389SS..SBendtrans66.8-174.1-169.700000112.8R120 P121R120-G125 WeakPolarHBondContact CB-O 3.32Å; P121-G125 VanDerWaalsContact CD-O 3.27Å; P121-G125 WeakPolarHBondContact CD-O 3.4Å
126F94.9Very high94Very high26 Ų2665.7 Ų65.711%0.11436%0.362CS..  trans-106.9148.8175.8-60.5-68.8000111.4E30 H33 F118 H119 R120 E128 S129 R130E30-F126 HydrophobicContact CG-CD2 4.43Å; H33-F126 HydrophobicContact CB-CE2 3.74Å; H33-F126 HydrophobicContact CB-CZ 3.8Å; H33-F126 AromaticContact CD2-CE1 3.52Å; H33-F126 AromaticContact CD2-CZ 3.25Å; H33-F126 WeakPolarHBondContact CD2-CZ 3.35Å; H33-F126 AromaticContact CE1-CZ 3.75Å; H33-F126 AromaticContact CG-CE1 3.99Å; H33-F126 AromaticContact CG-CE2 3.72Å; H33-F126 AromaticContact CG-CZ 3.25Å; H33-F126 AromaticContact ND1-CZ 3.57Å; H33-F126 AromaticContact NE2-CE1 3.83Å; H33-F126 AromaticContact NE2-CZ 3.57Å; F118-F126 HydrophobicContact CB-CD1 3.74Å; F118-F126 HydrophobicContact CB-CE1 3.91Å; F118-F126 HydrophobicContact CB-CG 4.33Å; F118-F126 HydrophobicContact CD1-CG 4.46Å; H119-F126 WeakPolarHBondContact O-CA 3.42Å; R120-F126 HydrophobicContact CB-CD1 3.89Å; R120-F126 HydrophobicContact CB-CE1 4.05Å; F126-E128 PolarHBondContact O-N 3.14Å; F126-S129 PolarHBondContact O-N 3.45Å; F126-R130 WeakPolarHBondContact O-CG 3.46Å; F126-R130 PolarHBondContact O-N 3.39Å; F126-R130 VanDerWaalsContact O-N 3.1Å
127R96.1Very high94.1Very high163 Ų16370.9 Ų70.962%0.61537%0.366SS*.Hα-helixtrans-58.5-37.1175.1-68.9-171.3178.7176.2-1.4111.1H119 P121 R130 A131H119-R127 HydrophobicContact CB-CB 4.22Å; H119-R127 HydrophobicContact CB-CG 3.98Å; H119-R127 PolarHBondContact O-N 3.29Å; P121-R127 HydrophobicContact CG-CG 4.3Å; R127-R130 PolarHBondContact O-N 2.75Å; R127-A131 WeakPolarHBondContact O-CB 3.48Å; R127-A131 PolarHBondContact O-N 2.92Å
128E96.7Very high94.1Very high55 Ų5577.7 Ų77.726%0.25739%0.39SS..Hα-helixtrans-66.2-47.8-178.3-64.169.9-149.600111.2V29 H119 F126 R130 A131 A132V29-E128 HydrophobicContact CG1-CB 3.83Å; H119-E128 IonicContact CE1-OE1 3.69Å; H119-E128 IonicContact CG-OE1 2.84Å; H119-E128 PolarHBondContact N-OE2 3.04Å; H119-E128 IonicContact ND1-OE1 3.7Å; H119-E128 PolarHBondContact ND1-OE1 3.28Å; F126-E128 PolarHBondContact O-N 3.14Å; E128-R130 VanDerWaalsContact C-N 3.34Å; E128-R130 PolarHBondContact O-N 3.15Å; E128-A131 PolarHBondContact O-N 3.07Å; E128-A132 PolarHBondContact O-N 2.88Å
129S96Very high94.2Very high5 Ų576.8 Ų76.84%0.03539%0.387CS..Hα-helixtrans-63.6-40176.2-48.70000111.7V29 E30 F126 A132 E133V29-S129 WeakPolarHBondContact CG1-OG 3.48Å; E30-S129 WeakPolarHBondContact CG-OG 3.49Å; F126-S129 PolarHBondContact O-N 3.45Å; S129-A132 PolarHBondContact O-N 3.34Å; S129-E133 WeakPolarHBondContact O-CB 3.42Å; S129-E133 PolarHBondContact O-N 3.24Å
130R95.6Very high94.3Very high97 Ų9773.2 Ų73.237%0.36637%0.37SS..Hα-helixtrans-64.4-43.2175.5-71.2177.8179.9-143-5.2112L123 G124 F126 R127 E128 A132 E133 D134L123-R130 VanDerWaalsContact C-NH2 3.27Å; L123-R130 PolarHBondContact O-NH2 3.32Å; G124-R130 VanDerWaalsContact O-CZ 3.27Å; G124-R130 PolarHBondContact O-NE 2.91Å; G124-R130 PolarHBondContact O-NH2 3.39Å; F126-R130 WeakPolarHBondContact O-CG 3.46Å; F126-R130 PolarHBondContact O-N 3.39Å; F126-R130 VanDerWaalsContact O-N 3.1Å; R127-R130 PolarHBondContact O-N 2.75Å; E128-R130 VanDerWaalsContact C-N 3.34Å; E128-R130 PolarHBondContact O-N 3.15Å; R130-A132 VanDerWaalsContact C-N 3.31Å; R130-A132 PolarHBondContact O-N 2.78Å; R130-E133 PolarHBondContact O-N 3.25Å; R130-D134 WeakPolarHBondContact O-CB 3.44Å; R130-D134 PolarHBondContact O-N 3.01Å
131A96.4Very high94.6Very high65 Ų6570.7 Ų70.754%0.53737%0.365SS..Hα-helixtrans-62.4-40177.200000111.6R127 E128 G135R127-A131 WeakPolarHBondContact O-CB 3.48Å; R127-A131 PolarHBondContact O-N 2.92Å; E128-A131 PolarHBondContact O-N 3.07Å; A131-G135 PolarHBondContact O-N 3.46Å
132A97.4Very high95.1Very high13 Ų1371.4 Ų71.411%0.10737%0.369CS..Hα-helixtrans-63.7-48.7173.600000112V26 E128 S129 R130 D134 G135 F136V26-A132 HydrophobicContact CG2-CB 4.16Å; E128-A132 PolarHBondContact O-N 2.88Å; S129-A132 PolarHBondContact O-N 3.34Å; R130-A132 VanDerWaalsContact C-N 3.31Å; R130-A132 PolarHBondContact O-N 2.78Å; A132-D134 PolarHBondContact O-N 3.1Å; A132-G135 PolarHBondContact O-N 3.3Å; A132-F136 WeakPolarHBondContact O-CD2 3.35Å; A132-F136 PolarHBondContact O-N 3.32Å
133E97.4Very high95.7Very high54 Ų5465.5 Ų65.525%0.25233%0.33SS..Hα-helixtrans-58.4-47.2177.2-176.464.9-145.100111.7Y22 V26 S129 R130 G135 F136 R137Y22-E133 WeakPolarHBondContact CE2-OE1 3.48Å; Y22-E133 PolarHBondContact OH-OE1 3.46Å; V26-E133 HydrophobicContact CG1-CB 4.3Å; S129-E133 WeakPolarHBondContact O-CB 3.42Å; S129-E133 PolarHBondContact O-N 3.24Å; R130-E133 PolarHBondContact O-N 3.25Å; E133-G135 VanDerWaalsContact C-N 3.33Å; E133-G135 PolarHBondContact O-N 3.46Å; E133-F136 PolarHBondContact O-N 2.87Å; E133-R137 WeakPolarHBondContact O-CB 3.39Å; E133-R137 PolarHBondContact O-N 3.43Å
134D97.3Very high96.4Very high101 Ų10161.4 Ų61.454%0.5431%0.308SS..Hα-helixtrans-65.2-37.7178.8-76.9-24.2000111.9R130 A132 K138R130-D134 WeakPolarHBondContact O-CB 3.44Å; R130-D134 PolarHBondContact O-N 3.01Å; A132-D134 PolarHBondContact O-N 3.1Å; D134-K138 VanDerWaalsContact O-CB 3.22Å; D134-K138 WeakPolarHBondContact O-CB 3.5Å; D134-K138 PolarHBondContact O-N 3.35Å
135G97.8Very high96.9Very high30 Ų3067 Ų6731%0.30933%0.326SS..Hα-helixtrans-58.9-54.8174.400000112.1A131 A132 E133 K138 A139A131-G135 PolarHBondContact O-N 3.46Å; A132-G135 PolarHBondContact O-N 3.3Å; E133-G135 VanDerWaalsContact C-N 3.33Å; E133-G135 PolarHBondContact O-N 3.46Å; G135-K138 PolarHBondContact O-N 3.04Å; G135-A139 PolarHBondContact O-N 2.93Å
136F98.5Very high97.3Very high0 Ų069 Ų690%032%0.323CS..Hα-helixtrans-63.9-42177.5-74-60.3000112.5F16 Y22 T25 V26 A132 E133 K138 A139 Q140 M224 A227 F228F16-F136 HydrophobicContact CE2-CE1 4.03Å; F16-F136 HydrophobicContact CE2-CZ 4.4Å; F16-F136 AromaticContact CZ-CE1 3.84Å; F16-F136 HydrophobicContact CZ-CE1 3.84Å; Y22-F136 HydrophobicContact CD1-CB 3.82Å; Y22-F136 HydrophobicContact CD1-CG 4.29Å; Y22-F136 HydrophobicContact CD2-CB 3.34Å; Y22-F136 HydrophobicContact CD2-CD1 4.37Å; Y22-F136 AromaticContact CD2-CD2 3.5Å; Y22-F136 HydrophobicContact CD2-CD2 3.5Å; Y22-F136 HydrophobicContact CD2-CE2 4.39Å; Y22-F136 AromaticContact CD2-CG 3.49Å; Y22-F136 HydrophobicContact CD2-CG 3.49Å; Y22-F136 VanDerWaalsContact CD2-CG 3.49Å; Y22-F136 HydrophobicContact CE1-CB 3.92Å; Y22-F136 HydrophobicContact CE2-CB 3.49Å; Y22-F136 VanDerWaalsContact CE2-CB 3.49Å; Y22-F136 HydrophobicContact CE2-CD2 4.23Å; Y22-F136 HydrophobicContact CE2-CG 4.14Å; Y22-F136 HydrophobicContact CG-CB 3.54Å; Y22-F136 HydrophobicContact CG-CD1 4.05Å; Y22-F136 AromaticContact CG-CD2 3.99Å; Y22-F136 HydrophobicContact CG-CD2 3.99Å; Y22-F136 AromaticContact CG-CG 3.6Å; Y22-F136 HydrophobicContact CG-CG 3.6Å; T25-F136 HydrophobicContact CG2-CE2 4.15Å; T25-F136 HydrophobicContact CG2-CZ 4.05Å; V26-F136 HydrophobicContact CG2-CD2 3.76Å; V26-F136 HydrophobicContact CG2-CE2 4.03Å; A132-F136 WeakPolarHBondContact O-CD2 3.35Å; A132-F136 PolarHBondContact O-N 3.32Å; E133-F136 PolarHBondContact O-N 2.87Å; F136-K138 VanDerWaalsContact C-N 3.3Å; F136-K138 PolarHBondContact O-N 3.39Å; F136-A139 PolarHBondContact O-N 3.47Å; F136-Q140 VanDerWaalsContact O-CB 3.29Å; F136-Q140 WeakPolarHBondContact O-CB 3.32Å; F136-Q140 PolarHBondContact O-N 2.99Å; F136-M224 HydrophobicContact CD1-CE 3.86Å; F136-M224 HydrophobicContact CD1-SD 3.9Å; F136-M224 HydrophobicContact CE1-CE 4.41Å; F136-A227 HydrophobicContact CD1-CB 3.7Å; F136-A227 HydrophobicContact CE1-CB 3.68Å; F136-A227 HydrophobicContact CG-CB 4.23Å; F136-A227 HydrophobicContact CZ-CB 4.22Å; F136-F228 HydrophobicContact CE1-CB 4.18Å; F136-F228 HydrophobicContact CZ-CB 4.2Å; F136-F228 HydrophobicContact CZ-CD2 4.49Å
137R97.8Very high97.4Very high161 Ų16169.7 Ų69.761%0.60833%0.328SS*.Hα-helixtrans-61.3-41177.8-173.1179.2-177.4179.42.9111.5E133 K141E133-R137 WeakPolarHBondContact O-CB 3.39Å; E133-R137 PolarHBondContact O-N 3.43Å; R137-K141 WeakPolarHBondContact O-CB 3.26Å; R137-K141 PolarHBondContact O-N 2.9Å
138K98Very high97.5Very high173 Ų17369.3 Ų69.375%0.75233%0.331SS*.Hα-helixtrans-65.8-41.8177-174.8-179.6176.5-173.80111.5D134 G135 F136 P142D134-K138 VanDerWaalsContact O-CB 3.22Å; D134-K138 WeakPolarHBondContact O-CB 3.5Å; D134-K138 PolarHBondContact O-N 3.35Å; G135-K138 PolarHBondContact O-N 3.04Å; F136-K138 VanDerWaalsContact C-N 3.3Å; F136-K138 PolarHBondContact O-N 3.39Å; K138-P142 WeakPolarHBondContact O-CD 3.39Å
139A98Very high97.6Very high5 Ų570.3 Ų70.34%0.04134%0.335CS..Hα-helixtrans-66.1-43.2176.700000112.6G135 F136 P142 D223 M224G135-A139 PolarHBondContact O-N 2.93Å; F136-A139 PolarHBondContact O-N 3.47Å; A139-P142 WeakPolarHBondContact O-CD 3.41Å; A139-D223 HydrophobicContact CB-CB 3.65Å; A139-M224 HydrophobicContact CB-CG 4.14Å; A139-M224 HydrophobicContact CB-SD 3.78Å
140Q98Very high97.7Very high4 Ų470.5 Ų70.52%0.01934%0.336CS..Hα-helixtrans-83.5-30.4-172.9-170.7172.676.300113.7E18 F136 W143 L144 Y220 M224E18-Q140 PolarHBondContact O-NE2 2.96Å; F136-Q140 VanDerWaalsContact O-CB 3.29Å; F136-Q140 WeakPolarHBondContact O-CB 3.32Å; F136-Q140 PolarHBondContact O-N 2.99Å; Q140-W143 PolarHBondContact O-N 3.33Å; Q140-W143 VanDerWaalsContact O-N 3.12Å; Q140-L144 HydrophobicContact CG-CD1 3.77Å; Q140-L144 HydrophobicContact CG-CD2 4.39Å; Q140-L144 HydrophobicContact CG-CG 3.78Å; Q140-L144 PolarHBondContact O-N 3.45Å; Q140-Y220 HydrophobicContact CB-CE2 3.92Å; Q140-Y220 HydrophobicContact CG-CE2 3.81Å; Q140-Y220 PolarHBondContact NE2-OH 2.69Å; Q140-M224 HydrophobicContact CB-SD 3.99Å
141K97.9Very high97.8Very high149 Ų14971.1 Ų71.165%0.64834%0.344SS*.Hα-helixtrans-52.9-45.4-174.8177.6-179.2-177.9-176.70114.6R137 W143 L144 K145R137-K141 WeakPolarHBondContact O-CB 3.26Å; R137-K141 PolarHBondContact O-N 2.9Å; K141-W143 VanDerWaalsContact C-N 3.33Å; K141-W143 PolarHBondContact O-N 2.96Å; K141-L144 PolarHBondContact O-N 3.16Å; K141-K145 PolarHBondContact O-N 3.22Å; K141-K145 VanDerWaalsContact O-N 3.09Å
142P97.8Very high97.9Very high40 Ų4070.8 Ų70.826%0.2634%0.34SS..Hα-helixtrans-70.7-28.2-178.8-17.331.8000113.4K138 A139 R146 Y216K138-P142 WeakPolarHBondContact O-CD 3.39Å; A139-P142 WeakPolarHBondContact O-CD 3.41Å; P142-R146 PolarHBondContact O-NH1 3.02Å; P142-Y216 HydrophobicContact CB-CE1 3.71Å; P142-Y216 VanDerWaalsContact CB-OH 3.28Å; P142-Y216 WeakPolarHBondContact CB-OH 3.39Å; P142-Y216 WeakPolarHBondContact CG-OH 3.35Å
143W98.3Very high97.9Very high35 Ų3570.6 Ų70.613%0.13334%0.338CS..Hα-helixtrans-73.1-44.3174.1-176.590.9000110.8Q140 K141 K145 R146 L147 L213 Y216 Y220Q140-W143 PolarHBondContact O-N 3.33Å; Q140-W143 VanDerWaalsContact O-N 3.12Å; K141-W143 VanDerWaalsContact C-N 3.33Å; K141-W143 PolarHBondContact O-N 2.96Å; W143-K145 VanDerWaalsContact C-N 3.3Å; W143-K145 PolarHBondContact O-N 3.5Å; W143-R146 PolarHBondContact O-N 3.43Å; W143-R146 VanDerWaalsContact O-N 3.09Å; W143-L147 HydrophobicContact CE3-CD2 4.47Å; W143-L147 HydrophobicContact CH2-CD1 4.42Å; W143-L147 HydrophobicContact CH2-CD2 3.71Å; W143-L147 HydrophobicContact CH2-CG 4.46Å; W143-L147 HydrophobicContact CZ3-CB 4.38Å; W143-L147 HydrophobicContact CZ3-CD2 3.61Å; W143-L147 PolarHBondContact O-N 2.85Å; W143-L213 HydrophobicContact CD2-CD1 4.34Å; W143-L213 HydrophobicContact CG-CD1 4.21Å; W143-Y216 HydrophobicContact CB-CD1 4.19Å; W143-Y216 HydrophobicContact CB-CE1 4.19Å; W143-Y220 HydrophobicContact CB-CD1 4.29Å; W143-Y220 HydrophobicContact CB-CD2 3.71Å; W143-Y220 HydrophobicContact CB-CE2 4.25Å; W143-Y220 HydrophobicContact CB-CG 3.72Å; W143-Y220 AromaticContact CD1-CD1 3.56Å; W143-Y220 AromaticContact CD1-CG 3.68Å; W143-Y220 HydrophobicContact CD2-CD1 4.02Å; W143-Y220 AromaticContact CD2-CE1 3.96Å; W143-Y220 HydrophobicContact CD2-CE1 3.96Å; W143-Y220 HydrophobicContact CD2-CG 4.35Å; W143-Y220 HydrophobicContact CE3-CE1 4.37Å; W143-Y220 AromaticContact CG-CD1 3.72Å; W143-Y220 HydrophobicContact CG-CD1 3.72Å; W143-Y220 HydrophobicContact CG-CD2 4.03Å; W143-Y220 HydrophobicContact CG-CE1 4.13Å; W143-Y220 HydrophobicContact CG-CE2 4.42Å; W143-Y220 AromaticContact CG-CG 3.65Å; W143-Y220 HydrophobicContact CG-CG 3.65Å; W143-Y220 AromaticContact NE1-CD1 3.79Å
144L97.5Very high98Very high57 Ų5772.6 Ų72.630%0.29835%0.346SS..Hα-helixtrans-60.8-36.4175.4-70.1174.3000113.2A19 Q140 K141 R146 L147 K148A19-L144 HydrophobicContact CB-CD2 3.56Å; Q140-L144 HydrophobicContact CG-CD1 3.77Å; Q140-L144 HydrophobicContact CG-CD2 4.39Å; Q140-L144 HydrophobicContact CG-CG 3.78Å; Q140-L144 PolarHBondContact O-N 3.45Å; K141-L144 PolarHBondContact O-N 3.16Å; L144-R146 VanDerWaalsContact C-N 3.31Å; L144-R146 PolarHBondContact O-N 2.85Å; L144-L147 HydrophobicContact CD2-CD2 4.37Å; L144-L147 PolarHBondContact O-N 2.86Å; L144-K148 WeakPolarHBondContact O-CB 3.45Å; L144-K148 PolarHBondContact O-N 3.04Å
145K97.9Very high98Very high140 Ų14075.6 Ų75.661%0.60935%0.354SS*.Hα-helixtrans-59.1-44.7174.7-174.8-176.5173.1-172.20111.1K141 W143 K148 E149K141-K145 PolarHBondContact O-N 3.22Å; K141-K145 VanDerWaalsContact O-N 3.09Å; W143-K145 VanDerWaalsContact C-N 3.3Å; W143-K145 PolarHBondContact O-N 3.5Å; K145-K148 WeakPolarHBondContact O-CB 3.13Å; K145-K148 PolarHBondContact O-N 3.14Å; K145-E149 PolarHBondContact O-N 3.09Å
146R98.2Very high98.1Very high75 Ų7577.2 Ų77.228%0.28336%0.361SS..Hα-helixtrans-70.3-39.9177.7-71.4169.8171.278.82112.1P142 W143 L144 K148 E149 V150 L213P142-R146 PolarHBondContact O-NH1 3.02Å; W143-R146 PolarHBondContact O-N 3.43Å; W143-R146 VanDerWaalsContact O-N 3.09Å; L144-R146 VanDerWaalsContact C-N 3.31Å; L144-R146 PolarHBondContact O-N 2.85Å; R146-K148 VanDerWaalsContact C-N 3.26Å; R146-K148 PolarHBondContact O-N 2.89Å; R146-E149 WeakPolarHBondContact O-CB 3.39Å; R146-E149 PolarHBondContact O-N 3.27Å; R146-E149 VanDerWaalsContact O-N 3.09Å; R146-V150 WeakPolarHBondContact O-CG2 3.39Å; R146-V150 PolarHBondContact O-N 3.23Å; R146-L213 HydrophobicContact CB-CD1 3.66Å
147L97.6Very high98.1Very high42 Ų4279.5 Ų79.522%0.2237%0.37CS..Hα-helixtrans-58.2-42174.3-17866.5000111W143 L144 E149 V150 E151 L213W143-L147 HydrophobicContact CE3-CD2 4.47Å; W143-L147 HydrophobicContact CH2-CD1 4.42Å; W143-L147 HydrophobicContact CH2-CD2 3.71Å; W143-L147 HydrophobicContact CH2-CG 4.46Å; W143-L147 HydrophobicContact CZ3-CB 4.38Å; W143-L147 HydrophobicContact CZ3-CD2 3.61Å; W143-L147 PolarHBondContact O-N 2.85Å; L144-L147 HydrophobicContact CD2-CD2 4.37Å; L144-L147 PolarHBondContact O-N 2.86Å; L147-E149 VanDerWaalsContact C-N 3.31Å; L147-E149 PolarHBondContact O-N 3.26Å; L147-V150 WeakPolarHBondContact O-CB 3.31Å; L147-V150 PolarHBondContact O-N 3.11Å; L147-E151 WeakPolarHBondContact O-CG 3.37Å; L147-E151 PolarHBondContact O-N 2.89Å; L147-L213 HydrophobicContact CB-CD1 4.49Å; L147-L213 HydrophobicContact CD1-CD2 4.13Å
148K97.9Very high98.1Very high154 Ų15476.9 Ų76.967%0.6736%0.364SS*.Hα-helixtrans-61.9-36.7175.4-173.3178.2179.9178.50112.8L144 K145 R146 A152L144-K148 WeakPolarHBondContact O-CB 3.45Å; L144-K148 PolarHBondContact O-N 3.04Å; K145-K148 WeakPolarHBondContact O-CB 3.13Å; K145-K148 PolarHBondContact O-N 3.14Å; R146-K148 VanDerWaalsContact C-N 3.26Å; R146-K148 PolarHBondContact O-N 2.89Å; K148-A152 WeakPolarHBondContact O-CB 3.48Å; K148-A152 PolarHBondContact O-N 2.69Å
149E98.1Very high98.1Very high76 Ų7670.9 Ų70.936%0.35535%0.348SS..Hα-helixtrans-67-41.1174.5-69.4165.3-168.300111.2K145 R146 L147 A152 S153 T209K145-E149 PolarHBondContact O-N 3.09Å; R146-E149 WeakPolarHBondContact O-CB 3.39Å; R146-E149 PolarHBondContact O-N 3.27Å; R146-E149 VanDerWaalsContact O-N 3.09Å; L147-E149 VanDerWaalsContact C-N 3.31Å; L147-E149 PolarHBondContact O-N 3.26Å; E149-A152 PolarHBondContact O-N 3.23Å; E149-S153 PolarHBondContact O-N 2.88Å; E149-S153 PolarHBondContact O-OG 3.14Å; E149-S153 VanDerWaalsContact O-OG 3.13Å; E149-T209 HydrophobicContact CB-CG2 4.4Å
150V98.3Very high98.1Very high9 Ų971.1 Ų71.16%0.05535%0.35CS..Hα-helixtrans-62-43.8172.8171.80000112R146 L147 A152 S153 K154 Y206 T209 L210 L213R146-V150 WeakPolarHBondContact O-CG2 3.39Å; R146-V150 PolarHBondContact O-N 3.23Å; L147-V150 WeakPolarHBondContact O-CB 3.31Å; L147-V150 PolarHBondContact O-N 3.11Å; V150-A152 VanDerWaalsContact C-N 3.33Å; V150-A152 PolarHBondContact O-N 3.48Å; V150-S153 WeakPolarHBondContact CA-OG 3.46Å; V150-S153 PolarHBondContact O-N 3.21Å; V150-S153 PolarHBondContact O-OG 3.09Å; V150-K154 WeakPolarHBondContact O-CB 3.48Å; V150-K154 PolarHBondContact O-N 3.32Å; V150-Y206 HydrophobicContact CG1-CD2 4.44Å; V150-Y206 HydrophobicContact CG1-CE2 3.8Å; V150-T209 VanDerWaalsContact CG2-C 3.49Å; V150-T209 VanDerWaalsContact CG2-O 3.29Å; V150-T209 WeakPolarHBondContact CG2-O 3.27Å; V150-L210 HydrophobicContact CG1-CD2 3.54Å; V150-L210 HydrophobicContact CG1-CG 4.08Å; V150-L210 HydrophobicContact CG2-CD2 4.32Å; V150-L213 HydrophobicContact CG2-CB 4.04Å; V150-L213 HydrophobicContact CG2-CD2 4.04Å
151E98Very high98.1Very high111 Ų11174.7 Ų74.752%0.51936%0.363SS..Hα-helixtrans-64.1-39.2177-73.3174.3168.700111.9L147 K155L147-E151 WeakPolarHBondContact O-CG 3.37Å; L147-E151 PolarHBondContact O-N 2.89Å; E151-K155 WeakPolarHBondContact O-CB 3.43Å; E151-K155 PolarHBondContact O-N 3.39Å
152A98.4Very high98.1Very high57 Ų5774.7 Ų74.747%0.47136%0.363SS..Hα-helixtrans-67.1-47176.800000112.1K148 E149 V150 K155 S156K148-A152 WeakPolarHBondContact O-CB 3.48Å; K148-A152 PolarHBondContact O-N 2.69Å; E149-A152 PolarHBondContact O-N 3.23Å; V150-A152 VanDerWaalsContact C-N 3.33Å; V150-A152 PolarHBondContact O-N 3.48Å; A152-K155 PolarHBondContact O-N 3.4Å; A152-S156 PolarHBondContact O-N 2.93Å; A152-S156 PolarHBondContact O-OG 3.01Å
153S98.2Very high98Very high9 Ų977.3 Ų77.36%0.06337%0.374CS..Hα-helixtrans-66.8-37.8178.160.90000112E149 V150 K155 S156 Y157 Y206 T209E149-S153 PolarHBondContact O-N 2.88Å; E149-S153 PolarHBondContact O-OG 3.14Å; E149-S153 VanDerWaalsContact O-OG 3.13Å; V150-S153 WeakPolarHBondContact CA-OG 3.46Å; V150-S153 PolarHBondContact O-N 3.21Å; V150-S153 PolarHBondContact O-OG 3.09Å; S153-K155 PolarHBondContact O-N 2.96Å; S153-S156 PolarHBondContact O-N 3.41Å; S153-Y157 WeakPolarHBondContact O-CB 3.39Å; S153-Y157 PolarHBondContact O-N 3.47Å; S153-Y206 WeakPolarHBondContact OG-CD2 3.25Å; S153-T209 PolarHBondContact OG-OG1 2.89Å
154K98.5Very high98Very high96 Ų9676.7 Ų76.742%0.41737%0.373SS..Hα-helixtrans-56.5-48170.2-178.7-179.9175.5179.60111.6V150 S156 Y157 H158 Y206V150-K154 WeakPolarHBondContact O-CB 3.48Å; V150-K154 PolarHBondContact O-N 3.32Å; K154-S156 PolarHBondContact O-N 2.83Å; K154-Y157 PolarHBondContact O-N 3.16Å; K154-H158 WeakPolarHBondContact O-CB 3.35Å; K154-H158 PolarHBondContact O-CD2 3.37Å; K154-H158 VanDerWaalsContact O-CG 3.31Å; K154-H158 PolarHBondContact O-N 3.38Å; K154-Y206 HydrophobicContact CB-CD2 4.02Å; K154-Y206 HydrophobicContact CB-CE2 3.62Å; K154-Y206 HydrophobicContact CG-CE2 4.23Å
155K98.4Very high98Very high164 Ų16480.3 Ų80.371%0.71339%0.386SS*.Hα-helixtrans-62-43178.6-173.3178.4179-179.90111.6E151 A152 S153 H158 A159E151-K155 WeakPolarHBondContact O-CB 3.43Å; E151-K155 PolarHBondContact O-N 3.39Å; A152-K155 PolarHBondContact O-N 3.4Å; S153-K155 PolarHBondContact O-N 2.96Å; K155-H158 PolarHBondContact O-N 3.32Å; K155-A159 WeakPolarHBondContact O-CB 3.33Å; K155-A159 PolarHBondContact O-N 3.31Å
156S98.2Very high97.9Very high65 Ų6576.3 Ų76.346%0.45537%0.374SS..Hα-helixtrans-62.8-44.7176.3-63.70000112.3A152 S153 K154 A159 A160A152-S156 PolarHBondContact O-N 2.93Å; A152-S156 PolarHBondContact O-OG 3.01Å; S153-S156 PolarHBondContact O-N 3.41Å; K154-S156 PolarHBondContact O-N 2.83Å; S156-A159 PolarHBondContact O-N 3.14Å; S156-A160 WeakPolarHBondContact O-CB 3.42Å; S156-A160 PolarHBondContact O-N 3.47Å
157Y98.4Very high97.8Very high47 Ų4772.8 Ų72.818%0.18436%0.361CS..Hα-helixtrans-61.9-45.7175.7172-118.8000112.1S153 K154 A159 A160 R161 K203 Y206S153-Y157 WeakPolarHBondContact O-CB 3.39Å; S153-Y157 PolarHBondContact O-N 3.47Å; K154-Y157 PolarHBondContact O-N 3.16Å; Y157-A159 VanDerWaalsContact C-N 3.31Å; Y157-A159 PolarHBondContact O-N 3.39Å; Y157-A160 PolarHBondContact O-N 3.39Å; Y157-R161 HydrophobicContact CD2-CG 4.1Å; Y157-R161 HydrophobicContact CE1-CG 4.33Å; Y157-R161 HydrophobicContact CE2-CG 3.53Å; Y157-R161 WeakPolarHBondContact O-CG 3.24Å; Y157-R161 PolarHBondContact O-N 3Å; Y157-R161 PolarHBondContact OH-NE 3Å; Y157-K203 HydrophobicContact CD2-CB 3.72Å; Y157-K203 HydrophobicContact CD2-CG 4.47Å; Y157-K203 HydrophobicContact CE2-CB 3.62Å; Y157-K203 HydrophobicContact CE2-CD 4.41Å; Y157-K203 HydrophobicContact CE2-CG 4.06Å; Y157-Y206 HydrophobicContact CD1-CD1 4.23Å
158H98.3Very high97.8Very high106 Ų10674.1 Ų74.149%0.49137%0.366SS..Hα-helixtrans-62-38.6177.2-74.4-157.2000112K154 K155 K162K154-H158 WeakPolarHBondContact O-CB 3.35Å; K154-H158 PolarHBondContact O-CD2 3.37Å; K154-H158 VanDerWaalsContact O-CG 3.31Å; K154-H158 PolarHBondContact O-N 3.38Å; K155-H158 PolarHBondContact O-N 3.32Å; H158-K162 WeakPolarHBondContact O-CB 3.45Å; H158-K162 PolarHBondContact O-N 3.43Å
159A98.2Very high97.7Very high48 Ų4869.5 Ų69.540%0.39735%0.351SS..Hα-helixtrans-65.9-46.8175.100000111.7K155 S156 Y157 R161 K162 D163K155-A159 WeakPolarHBondContact O-CB 3.33Å; K155-A159 PolarHBondContact O-N 3.31Å; S156-A159 PolarHBondContact O-N 3.14Å; Y157-A159 VanDerWaalsContact C-N 3.31Å; Y157-A159 PolarHBondContact O-N 3.39Å; A159-R161 VanDerWaalsContact C-N 3.32Å; A159-R161 PolarHBondContact O-N 3.47Å; A159-K162 WeakPolarHBondContact O-CB 3.42Å; A159-K162 PolarHBondContact O-N 3.43Å; A159-K162 VanDerWaalsContact O-N 3.11Å; A159-D163 PolarHBondContact O-N 2.89Å
160A97.8Very high97.5Very high10 Ų1072 Ų728%0.08336%0.357CS..Hα-helixtrans-60.4-40.9177.600000112.1S156 Y157 D163 E164 A199 T202S156-A160 WeakPolarHBondContact O-CB 3.42Å; S156-A160 PolarHBondContact O-N 3.47Å; Y157-A160 PolarHBondContact O-N 3.39Å; A160-D163 PolarHBondContact O-N 2.86Å; A160-E164 WeakPolarHBondContact O-CB 3.27Å; A160-E164 PolarHBondContact O-N 3.27Å; A160-A199 HydrophobicContact CB-CB 4.21Å; A160-T202 HydrophobicContact CB-CG2 4.31Å; A160-T202 WeakPolarHBondContact CB-OG1 3.23Å
161R97.6Very high97.3Very high78 Ų7872.9 Ų72.929%0.29436%0.36SS..Hα-helixtrans-63.8-38.5173.6-77-65.4-171.3-158-7.8113Y157 A159 E164 K165 E200Y157-R161 HydrophobicContact CD2-CG 4.1Å; Y157-R161 HydrophobicContact CE1-CG 4.33Å; Y157-R161 HydrophobicContact CE2-CG 3.53Å; Y157-R161 WeakPolarHBondContact O-CG 3.24Å; Y157-R161 PolarHBondContact O-N 3Å; Y157-R161 PolarHBondContact OH-NE 3Å; A159-R161 VanDerWaalsContact C-N 3.32Å; A159-R161 PolarHBondContact O-N 3.47Å; R161-E164 WeakPolarHBondContact CD-OE2 3.46Å; R161-E164 IonicContact CZ-OE2 3.91Å; R161-E164 IonicContact NE-OE2 2.96Å; R161-E164 IonicContact NH1-OE1 3.34Å; R161-E164 IonicContact NH1-OE2 2.69Å; R161-E164 PolarHBondContact NH1-OE2 3.12Å; R161-K165 WeakPolarHBondContact O-CB 3.32Å; R161-K165 PolarHBondContact O-N 3.32Å; R161-E200 IonicContact CZ-OE1 3.34Å; R161-E200 IonicContact NH1-OE1 2.9Å; R161-E200 IonicContact NH2-OE1 2.73Å; R161-E200 PolarHBondContact NH2-OE1 3.1Å
162K97.9Very high97.1Very high150 Ų15071.2 Ų71.265%0.65236%0.361SS*.Hα-helixtrans-65.4-41.6175-174.2-178.4178.1-178.30111.7H158 A159 K165 T166H158-K162 WeakPolarHBondContact O-CB 3.45Å; H158-K162 PolarHBondContact O-N 3.43Å; A159-K162 WeakPolarHBondContact O-CB 3.42Å; A159-K162 PolarHBondContact O-N 3.43Å; A159-K162 VanDerWaalsContact O-N 3.11Å; K162-K165 PolarHBondContact O-N 3.34Å; K162-T166 WeakPolarHBondContact O-CB 3.44Å; K162-T166 PolarHBondContact O-N 2.71Å; K162-T166 PolarHBondContact O-OG1 2.92Å
163D97.3Very high96.9Very high94 Ų9474.7 Ų74.750%0.50337%0.367SS..Hα-helixtrans-69-41.5178.4-74.8-13.3000112.1A159 A160 T166 A167A159-D163 PolarHBondContact O-N 2.89Å; A160-D163 PolarHBondContact O-N 2.86Å; D163-T166 PolarHBondContact O-N 2.81Å; D163-A167 WeakPolarHBondContact O-CB 3.2Å; D163-A167 PolarHBondContact O-N 2.86Å
164E97Very high96.6Very high23 Ų2374.9 Ų74.911%0.10737%0.369CS..Hα-helixtrans-55.9-50.9171.5-177.2-170.6-166.400110.8A160 R161 T166 A167 Q168 C195A160-E164 WeakPolarHBondContact O-CB 3.27Å; A160-E164 PolarHBondContact O-N 3.27Å; R161-E164 WeakPolarHBondContact CD-OE2 3.46Å; R161-E164 IonicContact CZ-OE2 3.91Å; R161-E164 IonicContact NE-OE2 2.96Å; R161-E164 IonicContact NH1-OE1 3.34Å; R161-E164 IonicContact NH1-OE2 2.69Å; R161-E164 PolarHBondContact NH1-OE2 3.12Å; E164-T166 VanDerWaalsContact C-N 3.28Å; E164-T166 PolarHBondContact O-N 3.01Å; E164-A167 PolarHBondContact O-N 3.09Å; E164-Q168 WeakPolarHBondContact O-CB 3.21Å; E164-Q168 VanDerWaalsContact O-CG 3.31Å; E164-Q168 WeakPolarHBondContact O-CG 3.44Å; E164-Q168 PolarHBondContact O-N 3.43Å; E164-Q168 PolarHBondContact OE1-NE2 2.83Å; E164-C195 HydrophobicContact CB-CB 4.05Å
165K97.2Very high96.2Very high132 Ų13276 Ų7657%0.57437%0.374SS*.Hα-helixtrans-60.8-38.4178.1-173.661.4177.1179.40112.2R161 K162 T169R161-K165 WeakPolarHBondContact O-CB 3.32Å; R161-K165 PolarHBondContact O-N 3.32Å; K162-K165 PolarHBondContact O-N 3.34Å; K165-T169 WeakPolarHBondContact O-CB 3.43Å; K165-T169 PolarHBondContact O-N 3Å; K165-T169 PolarHBondContact O-OG1 2.56Å
166T97.2Very high95.9Very high56 Ų5672.4 Ų72.434%0.34438%0.375SS..Hα-helixtrans-67-42.7177.3-57.60000111.4K162 D163 E164 T169 R170K162-T166 WeakPolarHBondContact O-CB 3.44Å; K162-T166 PolarHBondContact O-N 2.71Å; K162-T166 PolarHBondContact O-OG1 2.92Å; D163-T166 PolarHBondContact O-N 2.81Å; E164-T166 VanDerWaalsContact C-N 3.28Å; E164-T166 PolarHBondContact O-N 3.01Å; T166-T169 PolarHBondContact O-N 3.44Å; T166-R170 WeakPolarHBondContact O-CG 3.24Å; T166-R170 PolarHBondContact O-N 2.88Å; T166-R170 VanDerWaalsContact O-N 3.09Å
167A96Very high95.5Very high2 Ų273.3 Ų73.32%0.01738%0.375CS..Hα-helixtrans-63.9-45.8176.500000111.4D163 E164 T169 R170 E171 R191 V192 C195D163-A167 WeakPolarHBondContact O-CB 3.2Å; D163-A167 PolarHBondContact O-N 2.86Å; E164-A167 PolarHBondContact O-N 3.09Å; A167-T169 VanDerWaalsContact C-N 3.32Å; A167-T169 PolarHBondContact O-N 2.88Å; A167-R170 PolarHBondContact O-N 2.89Å; A167-E171 WeakPolarHBondContact O-CB 3.48Å; A167-E171 PolarHBondContact O-N 2.88Å; A167-R191 HydrophobicContact CB-CG 4.25Å; A167-V192 VanDerWaalsContact C-CG2 3.48Å; A167-V192 HydrophobicContact CB-CG2 3.81Å; A167-C195 HydrophobicContact CB-CB 4.46Å
168Q96.2Very high94.9Very high69 Ų6977.2 Ų77.232%0.32241%0.409SS..Hα-helixtrans-59.8-42176.7-73.3171.1-7.500111.7E164 E171 S172 V192E164-Q168 WeakPolarHBondContact O-CB 3.21Å; E164-Q168 VanDerWaalsContact O-CG 3.31Å; E164-Q168 WeakPolarHBondContact O-CG 3.44Å; E164-Q168 PolarHBondContact O-N 3.43Å; E164-Q168 PolarHBondContact OE1-NE2 2.83Å; Q168-E171 PolarHBondContact O-N 3.28Å; Q168-S172 WeakPolarHBondContact O-CB 3.4Å; Q168-S172 PolarHBondContact O-N 3.44Å; Q168-V192 HydrophobicContact CG-CG1 3.83Å; Q168-V192 HydrophobicContact CG-CG2 4.37Å
169T96.2Very high94.5Very high57 Ų5776.1 Ų76.135%0.3542%0.419SS..Hα-helixtrans-63-45.7177.8-560000110.7K165 T166 A167 S172 H173K165-T169 WeakPolarHBondContact O-CB 3.43Å; K165-T169 PolarHBondContact O-N 3Å; K165-T169 PolarHBondContact O-OG1 2.56Å; T166-T169 PolarHBondContact O-N 3.44Å; A167-T169 VanDerWaalsContact C-N 3.32Å; A167-T169 PolarHBondContact O-N 2.88Å; T169-S172 PolarHBondContact O-N 3.33Å; T169-H173 PolarHBondContact O-CD2 3.33Å; T169-H173 PolarHBondContact O-N 3.15Å
170R94.1Very high93.9Very high130 Ų13075.8 Ų75.849%0.49141%0.411SS..Hα-helixtrans-64-41.4177.2-71.3178.2-178-163.8-0.3113T166 A167 H173 A174 L188T166-R170 WeakPolarHBondContact O-CG 3.24Å; T166-R170 PolarHBondContact O-N 2.88Å; T166-R170 VanDerWaalsContact O-N 3.09Å; A167-R170 PolarHBondContact O-N 2.89Å; R170-H173 PolarHBondContact O-N 3.39Å; R170-A174 WeakPolarHBondContact O-CB 3.15Å; R170-A174 PolarHBondContact O-N 2.92Å; R170-L188 HydrophobicContact CB-CD2 4.34Å
171E94.3Very high93.6Very high26 Ų2677.9 Ų77.912%0.12143%0.426CS..Hα-helixtrans-62.2-44.8174.5-171.1-146.4173.700110.9A167 Q168 H173 A174 K175 L188 Q189 V192A167-E171 WeakPolarHBondContact O-CB 3.48Å; A167-E171 PolarHBondContact O-N 2.88Å; Q168-E171 PolarHBondContact O-N 3.28Å; E171-H173 PolarHBondContact O-N 3.23Å; E171-A174 PolarHBondContact O-N 3.26Å; E171-K175 WeakPolarHBondContact O-CG 3.49Å; E171-K175 PolarHBondContact O-N 3.46Å; E171-K175 WeakPolarHBondContact OE1-CE 3.32Å; E171-K175 IonicContact OE1-NZ 2.63Å; E171-K175 PolarHBondContact OE1-NZ 3.38Å; E171-K175 IonicContact OE2-NZ 3.92Å; E171-L188 HydrophobicContact CB-CB 4.3Å; E171-L188 HydrophobicContact CG-CB 4.32Å; E171-Q189 HydrophobicContact CG-CG 4.18Å; E171-Q189 VanDerWaalsContact OE1-CG 3.24Å; E171-Q189 WeakPolarHBondContact OE1-CG 3.49Å; E171-V192 HydrophobicContact CB-CG2 3.89Å; E171-V192 HydrophobicContact CG-CG2 4.37Å
172S93.8Very high93.2Very high77 Ų7782.7 Ų82.754%0.53845%0.452SS..Hα-helixtrans-60.9-42.6177.1-172.50000112.3Q168 T169 A176Q168-S172 WeakPolarHBondContact O-CB 3.4Å; Q168-S172 PolarHBondContact O-N 3.44Å; T169-S172 PolarHBondContact O-N 3.33Å; S172-A176 PolarHBondContact O-N 3.13Å
173H93.6Very high92.9Very high130 Ų13079.5 Ų79.560%0.60244%0.439SS*.Hα-helixtrans-65.6-42.5175.5-75.4-66.5000111.8T169 R170 E171 K175 A176 D177T169-H173 PolarHBondContact O-CD2 3.33Å; T169-H173 PolarHBondContact O-N 3.15Å; R170-H173 PolarHBondContact O-N 3.39Å; E171-H173 PolarHBondContact O-N 3.23Å; H173-K175 VanDerWaalsContact C-N 3.33Å; H173-K175 PolarHBondContact O-N 3.4Å; H173-A176 PolarHBondContact O-N 2.92Å; H173-A176 VanDerWaalsContact O-N 3.13Å; H173-D177 PolarHBondContact O-N 2.94Å
174A92.1Very high92.7Very high12 Ų1280 Ų8010%0.09944%0.438CS..Hα-helixtrans-65.8-33.3178.700000113.2R170 E171 A176 D177 V180 L185 L188R170-A174 WeakPolarHBondContact O-CB 3.15Å; R170-A174 PolarHBondContact O-N 2.92Å; E171-A174 PolarHBondContact O-N 3.26Å; A174-A176 PolarHBondContact O-N 3.49Å; A174-D177 PolarHBondContact O-N 3.11Å; A174-V180 HydrophobicContact CB-CG1 4.26Å; A174-V180 HydrophobicContact CB-CG2 4.24Å; A174-L185 HydrophobicContact CB-CD1 4.5Å; A174-L188 HydrophobicContact CB-CD1 3.26Å
175K91Very high92.4Very high119 Ų11981 Ų8152%0.51744%0.444SS..Hα-helixtrans-64.6-27.8172.8-76.1179.1-178.5167.70113.2E171 H173 L185E171-K175 WeakPolarHBondContact O-CG 3.49Å; E171-K175 PolarHBondContact O-N 3.46Å; E171-K175 WeakPolarHBondContact OE1-CE 3.32Å; E171-K175 IonicContact OE1-NZ 2.63Å; E171-K175 PolarHBondContact OE1-NZ 3.38Å; E171-K175 IonicContact OE2-NZ 3.92Å; H173-K175 VanDerWaalsContact C-N 3.33Å; H173-K175 PolarHBondContact O-N 3.4Å; K175-L185 HydrophobicContact CG-CD1 3.56Å; K175-L185 HydrophobicContact CG-CD2 4.37Å
176A91.3Very high92.2Very high90 Ų9080.8 Ų80.874%0.74444%0.44SS*.Hα-helixtrans-86.3-11.2178.900000113S172 H173 A174S172-A176 PolarHBondContact O-N 3.13Å; H173-A176 PolarHBondContact O-N 2.92Å; H173-A176 VanDerWaalsContact O-N 3.13Å; A174-A176 PolarHBondContact O-N 3.49Å
177D90.4Very high92.1Very high83 Ų8384 Ų8444%0.44445%0.449SS..  trans-102.8109.8-177.5-177.4-0.9000111.1H173 A174 A179 V180H173-D177 PolarHBondContact O-N 2.94Å; A174-D177 PolarHBondContact O-N 3.11Å; D177-A179 PolarHBondContact O-N 3.49Å; D177-A179 VanDerWaalsContact O-N 3.17Å; D177-A179 VanDerWaalsContact OD1-CB 3.31Å; D177-A179 WeakPolarHBondContact OD1-CB 3.5Å; D177-A179 PolarHBondContact OD1-N 3.41Å; D177-V180 HydrophobicContact CB-CG2 3.86Å; D177-V180 PolarHBondContact O-N 3.21Å
178S86.3Confident92Very high130 Ų13085.8 Ų85.891%0.90946%0.458SS*.THydrogen-bonded Turntrans-65.7-13.618054.20000114.4V180S178-V180 VanDerWaalsContact C-N 3.34Å
179A89.9Confident91.9Very high83 Ų8386 Ų8669%0.68646%0.459SS*.THydrogen-bonded Turntrans-81.1-14.4177.200000113.2D177D177-A179 PolarHBondContact O-N 3.49Å; D177-A179 VanDerWaalsContact O-N 3.17Å; D177-A179 VanDerWaalsContact OD1-CB 3.31Å; D177-A179 WeakPolarHBondContact OD1-CB 3.5Å; D177-A179 PolarHBondContact OD1-N 3.41Å
180V85.6Confident91.9Very high40 Ų4087.1 Ų87.124%0.24246%0.46CS..SBendtrans-77126.5-178.2-179.80000110.2A174 D177 S178 Q184A174-V180 HydrophobicContact CB-CG1 4.26Å; A174-V180 HydrophobicContact CB-CG2 4.24Å; D177-V180 HydrophobicContact CB-CG2 3.86Å; D177-V180 PolarHBondContact O-N 3.21Å; S178-V180 VanDerWaalsContact C-N 3.34Å; V180-Q184 HydrophobicContact CG1-CB 3.58Å
181S90.1Very high91.9Very high55 Ų5585.8 Ų85.839%0.38546%0.455SS..  trans-68.8151.6177.964.10000111.8E183 Q184 L185S181-E183 PolarHBondContact O-N 3.45Å; S181-E183 VanDerWaalsContact O-N 3.17Å; S181-Q184 WeakPolarHBondContact O-CB 3.21Å; S181-Q184 PolarHBondContact O-N 2.92Å; S181-Q184 VanDerWaalsContact OG-CG 3.27Å; S181-Q184 WeakPolarHBondContact OG-CG 2.88Å; S181-Q184 PolarHBondContact OG-N 3.41Å; S181-Q184 PolarHBondContact OG-OE1 3.36Å; S181-L185 PolarHBondContact O-N 2.92Å
182Q90Very high92Very high179 Ų17985.4 Ų85.484%0.83646%0.455SS*.Hα-helixtrans-55.6-34.9175.9-72.9-173.4-11.200112.5L185 R186Q182-L185 PolarHBondContact O-N 2.85Å; Q182-R186 WeakPolarHBondContact O-CB 3.48Å; Q182-R186 PolarHBondContact O-N 3.47Å
183E91.9Very high92.1Very high82 Ų8287.4 Ų87.438%0.38346%0.455SS..Hα-helixtrans-66.7-38.6176.2-178.357.8-159.500112.3S181 R186 K187S181-E183 PolarHBondContact O-N 3.45Å; S181-E183 VanDerWaalsContact O-N 3.17Å; E183-R186 VanDerWaalsContact CD-NH2 3.33Å; E183-R186 IonicContact OE1-CZ 3.15Å; E183-R186 IonicContact OE1-NE 3.96Å; E183-R186 IonicContact OE1-NH2 3.7Å; E183-R186 PolarHBondContact OE1-NH2 3.14Å; E183-R186 IonicContact OE2-CZ 3.86Å; E183-R186 VanDerWaalsContact OE2-CZ 3.27Å; E183-R186 IonicContact OE2-NE 3.94Å; E183-R186 PolarHBondContact OE2-NE 3.1Å; E183-R186 IonicContact OE2-NH2 2.97Å; E183-R186 PolarHBondContact OE2-NH2 3.37Å; E183-K187 WeakPolarHBondContact O-CG 3.44Å; E183-K187 PolarHBondContact O-N 2.88Å; E183-K187 VanDerWaalsContact O-N 3.11Å; E183-K187 VanDerWaalsContact OE1-CE 3.31Å; E183-K187 WeakPolarHBondContact OE1-CE 3.32Å
184Q91.7Very high92.3Very high104 Ų10488.7 Ų88.749%0.48646%0.455SS..Hα-helixtrans-66.5-40.9174.1-76.7168.9-48.900111.6V180 S181 K187 L188V180-Q184 HydrophobicContact CG1-CB 3.58Å; S181-Q184 WeakPolarHBondContact O-CB 3.21Å; S181-Q184 PolarHBondContact O-N 2.92Å; S181-Q184 VanDerWaalsContact OG-CG 3.27Å; S181-Q184 WeakPolarHBondContact OG-CG 2.88Å; S181-Q184 PolarHBondContact OG-N 3.41Å; S181-Q184 PolarHBondContact OG-OE1 3.36Å; Q184-K187 PolarHBondContact O-N 3.02Å; Q184-L188 PolarHBondContact O-N 2.84Å; Q184-L188 VanDerWaalsContact O-N 3.1Å
185L91.8Very high92.5Very high44 Ų4489.1 Ų89.123%0.2346%0.457CS..Hα-helixtrans-62.6-44176.5-178.361.1000111.3A174 K175 S181 Q182 K187 L188 Q189A174-L185 HydrophobicContact CB-CD1 4.5Å; K175-L185 HydrophobicContact CG-CD1 3.56Å; K175-L185 HydrophobicContact CG-CD2 4.37Å; S181-L185 PolarHBondContact O-N 2.92Å; Q182-L185 PolarHBondContact O-N 2.85Å; L185-K187 VanDerWaalsContact C-N 3.34Å; L185-K187 PolarHBondContact O-N 2.73Å; L185-L188 PolarHBondContact O-N 3.1Å; L185-L188 VanDerWaalsContact O-N 3.14Å; L185-Q189 WeakPolarHBondContact O-CG 3.25Å; L185-Q189 PolarHBondContact O-N 2.99Å
186R92.9Very high92.8Very high128 Ų12884.9 Ų84.948%0.48344%0.444SS..Hα-helixtrans-58.6-44175.5-168.918070.4166.7-1.1111.9Q182 E183 L188 Q189 E190Q182-R186 WeakPolarHBondContact O-CB 3.48Å; Q182-R186 PolarHBondContact O-N 3.47Å; E183-R186 VanDerWaalsContact CD-NH2 3.33Å; E183-R186 IonicContact OE1-CZ 3.15Å; E183-R186 IonicContact OE1-NE 3.96Å; E183-R186 IonicContact OE1-NH2 3.7Å; E183-R186 PolarHBondContact OE1-NH2 3.14Å; E183-R186 IonicContact OE2-CZ 3.86Å; E183-R186 VanDerWaalsContact OE2-CZ 3.27Å; E183-R186 IonicContact OE2-NE 3.94Å; E183-R186 PolarHBondContact OE2-NE 3.1Å; E183-R186 IonicContact OE2-NH2 2.97Å; E183-R186 PolarHBondContact OE2-NH2 3.37Å; R186-L188 VanDerWaalsContact C-N 3.3Å; R186-L188 PolarHBondContact O-N 3.49Å; R186-Q189 WeakPolarHBondContact O-CB 3.43Å; R186-Q189 PolarHBondContact O-N 3.32Å; R186-E190 IonicContact NE-OE1 3.27Å; R186-E190 WeakPolarHBondContact O-CG 3.37Å; R186-E190 PolarHBondContact O-N 3.33Å
187K94.3Very high93.1Very high124 Ų12488 Ų8854%0.53944%0.441SS..Hα-helixtrans-62.1-35.1176.2-74.4176.6-179.2177.30113.2E183 Q184 L185 R191E183-K187 WeakPolarHBondContact O-CG 3.44Å; E183-K187 PolarHBondContact O-N 2.88Å; E183-K187 VanDerWaalsContact O-N 3.11Å; E183-K187 VanDerWaalsContact OE1-CE 3.31Å; E183-K187 WeakPolarHBondContact OE1-CE 3.32Å; Q184-K187 PolarHBondContact O-N 3.02Å; L185-K187 VanDerWaalsContact C-N 3.34Å; L185-K187 PolarHBondContact O-N 2.73Å; K187-R191 WeakPolarHBondContact O-CB 3.42Å; K187-R191 PolarHBondContact O-N 3.05Å; K187-R191 VanDerWaalsContact O-N 3.14Å
188L94.2Very high93.4Very high39 Ų3988 Ų8820%0.20444%0.438CS..Hα-helixtrans-71.2-40.7175.4-72.1171.3000111.6R170 E171 A174 Q184 L185 R186 R191 V192R170-L188 HydrophobicContact CB-CD2 4.34Å; E171-L188 HydrophobicContact CB-CB 4.3Å; E171-L188 HydrophobicContact CG-CB 4.32Å; A174-L188 HydrophobicContact CB-CD1 3.26Å; Q184-L188 PolarHBondContact O-N 2.84Å; Q184-L188 VanDerWaalsContact O-N 3.1Å; L185-L188 PolarHBondContact O-N 3.1Å; L185-L188 VanDerWaalsContact O-N 3.14Å; R186-L188 VanDerWaalsContact C-N 3.3Å; R186-L188 PolarHBondContact O-N 3.49Å; L188-R191 WeakPolarHBondContact O-CB 3.47Å; L188-R191 PolarHBondContact O-N 2.98Å; L188-V192 WeakPolarHBondContact O-CG2 3.32Å; L188-V192 PolarHBondContact O-N 3.31Å
189Q94.3Very high94Very high73 Ų7381.8 Ų81.834%0.34140%0.395SS..Hα-helixtrans-59.4-50.2173.2-75.5172-25.800111.8E171 L185 R186 R191 V192 E193E171-Q189 HydrophobicContact CG-CG 4.18Å; E171-Q189 VanDerWaalsContact OE1-CG 3.24Å; E171-Q189 WeakPolarHBondContact OE1-CG 3.49Å; L185-Q189 WeakPolarHBondContact O-CG 3.25Å; L185-Q189 PolarHBondContact O-N 2.99Å; R186-Q189 WeakPolarHBondContact O-CB 3.43Å; R186-Q189 PolarHBondContact O-N 3.32Å; Q189-R191 PolarHBondContact O-N 3.48Å; Q189-V192 WeakPolarHBondContact O-CB 3.48Å; Q189-V192 PolarHBondContact O-N 3.32Å; Q189-E193 PolarHBondContact O-N 2.99Å
190E95.5Very high94.4Very high81 Ų8182.2 Ų82.238%0.37938%0.383SS..Hα-helixtrans-57.6-34.8175.5-72.9173.6-169.200112.3R186 R194R186-E190 IonicContact NE-OE1 3.27Å; R186-E190 WeakPolarHBondContact O-CG 3.37Å; R186-E190 PolarHBondContact O-N 3.33Å; E190-R194 WeakPolarHBondContact O-CB 3.42Å; E190-R194 PolarHBondContact O-N 2.88Å
191R95.2Very high95Very high102 Ų10286.1 Ų86.139%0.38540%0.396SS..Hα-helixtrans-68.5-42.6175.3-177.1178178.1163.52.4111.7A167 K187 L188 Q189 R194 C195A167-R191 HydrophobicContact CB-CG 4.25Å; K187-R191 WeakPolarHBondContact O-CB 3.42Å; K187-R191 PolarHBondContact O-N 3.05Å; K187-R191 VanDerWaalsContact O-N 3.14Å; L188-R191 WeakPolarHBondContact O-CB 3.47Å; L188-R191 PolarHBondContact O-N 2.98Å; Q189-R191 PolarHBondContact O-N 3.48Å; R191-R194 PolarHBondContact O-N 2.79Å; R191-C195 PolarHBondContact O-N 2.88Å; R191-C195 PolarHBondContact O-SG 2.85Å; R191-C195 VanDerWaalsContact O-SG 3.36Å
192V96.3Very high95.3Very high19 Ų1984.3 Ų84.312%0.11538%0.383CS..Hα-helixtrans-60.2-48.6175.5171.50000110.3A167 Q168 E171 L188 Q189 R194 C195 A196A167-V192 VanDerWaalsContact C-CG2 3.48Å; A167-V192 HydrophobicContact CB-CG2 3.81Å; Q168-V192 HydrophobicContact CG-CG1 3.83Å; Q168-V192 HydrophobicContact CG-CG2 4.37Å; E171-V192 HydrophobicContact CB-CG2 3.89Å; E171-V192 HydrophobicContact CG-CG2 4.37Å; L188-V192 WeakPolarHBondContact O-CG2 3.32Å; L188-V192 PolarHBondContact O-N 3.31Å; Q189-V192 WeakPolarHBondContact O-CB 3.48Å; Q189-V192 PolarHBondContact O-N 3.32Å; V192-R194 VanDerWaalsContact C-N 3.3Å; V192-R194 PolarHBondContact O-N 3.31Å; V192-C195 PolarHBondContact O-N 2.82Å; V192-A196 WeakPolarHBondContact O-CB 3.48Å; V192-A196 PolarHBondContact O-N 3.03Å
193E96.5Very high95.7Very high118 Ų11878.8 Ų78.855%0.55136%0.356SS*.Hα-helixtrans-59.2-40.8177.1-70.4-178.3-175.800112.4Q189 A196 K197Q189-E193 PolarHBondContact O-N 2.99Å; E193-A196 PolarHBondContact O-N 2.89Å; E193-K197 WeakPolarHBondContact O-CG 3.45Å; E193-K197 PolarHBondContact O-N 2.86Å
194R96.8Very high96Very high157 Ų15777.4 Ų77.459%0.59236%0.359SS*.Hα-helixtrans-64.1-45.7176.3-167.9-175-53.8128.29111.8E190 R191 V192 A196 K197 E198E190-R194 WeakPolarHBondContact O-CB 3.42Å; E190-R194 PolarHBondContact O-N 2.88Å; R191-R194 PolarHBondContact O-N 2.79Å; V192-R194 VanDerWaalsContact C-N 3.3Å; V192-R194 PolarHBondContact O-N 3.31Å; R194-A196 VanDerWaalsContact C-N 3.35Å; R194-K197 PolarHBondContact O-N 2.95Å; R194-E198 PolarHBondContact O-N 3.39Å
195C97.1Very high96.3Very high22 Ų2277.3 Ų77.315%0.14936%0.358CS..Hα-helixtrans-64.1-39.3176.6-70.60000111.9E164 A167 R191 V192 E198 A199E164-C195 HydrophobicContact CB-CB 4.05Å; A167-C195 HydrophobicContact CB-CB 4.46Å; R191-C195 PolarHBondContact O-N 2.88Å; R191-C195 PolarHBondContact O-SG 2.85Å; R191-C195 VanDerWaalsContact O-SG 3.36Å; V192-C195 PolarHBondContact O-N 2.82Å; C195-E198 PolarHBondContact O-N 2.86Å; C195-A199 WeakPolarHBondContact O-CB 3.46Å; C195-A199 PolarHBondContact O-N 2.98Å
196A96.9Very high96.7Very high29 Ų2977.6 Ų77.624%0.2436%0.357CS..Hα-helixtrans-63.8-44.2176.300000112.1V192 E193 R194 E198 A199 E200V192-A196 WeakPolarHBondContact O-CB 3.48Å; V192-A196 PolarHBondContact O-N 3.03Å; E193-A196 PolarHBondContact O-N 2.89Å; R194-A196 VanDerWaalsContact C-N 3.35Å; A196-E198 VanDerWaalsContact C-N 3.33Å; A196-E198 PolarHBondContact O-N 2.87Å; A196-A199 PolarHBondContact O-N 3.41Å; A196-E200 PolarHBondContact O-N 3.29Å
197K97.5Very high96.9Very high156 Ų15676.5 Ų76.568%0.67836%0.357SS*.Hα-helixtrans-60.8-40.3174-74.3176.9-178.6173.80112.2E193 R194 K201E193-K197 WeakPolarHBondContact O-CG 3.45Å; E193-K197 PolarHBondContact O-N 2.86Å; R194-K197 PolarHBondContact O-N 2.95Å; K197-K201 WeakPolarHBondContact O-CB 3.41Å; K197-K201 PolarHBondContact O-N 3.47Å
198E97.7Very high97.1Very high82 Ų8275.5 Ų75.538%0.38335%0.354SS..Hα-helixtrans-69.6-36.1176.5-167.961.9-153.600112.2R194 C195 A196 K201 T202R194-E198 PolarHBondContact O-N 3.39Å; C195-E198 PolarHBondContact O-N 2.86Å; A196-E198 VanDerWaalsContact C-N 3.33Å; A196-E198 PolarHBondContact O-N 2.87Å; E198-K201 PolarHBondContact O-N 3.16Å; E198-K201 IonicContact OE1-NZ 3.78Å; E198-K201 PolarHBondContact OE1-NZ 2.77Å; E198-K201 IonicContact OE2-NZ 3.58Å; E198-K201 PolarHBondContact OE2-NZ 2.96Å; E198-T202 HydrophobicContact CG-CG2 4.47Å; E198-T202 WeakPolarHBondContact O-CB 3.36Å; E198-T202 WeakPolarHBondContact O-CG2 3.11Å; E198-T202 PolarHBondContact O-N 2.94Å; E198-T202 PolarHBondContact O-OG1 2.97Å
199A97.6Very high97.3Very high0 Ų074.3 Ų74.30%035%0.349CS..Hα-helixtrans-63.2-43.5174.400000112.1A160 C195 A196 T202 K203A160-A199 HydrophobicContact CB-CB 4.21Å; C195-A199 WeakPolarHBondContact O-CB 3.46Å; C195-A199 PolarHBondContact O-N 2.98Å; A196-A199 PolarHBondContact O-N 3.41Å; A199-T202 WeakPolarHBondContact CA-OG1 3.25Å; A199-T202 PolarHBondContact O-OG1 3.36Å; A199-T202 VanDerWaalsContact O-OG1 3.05Å; A199-K203 VanDerWaalsContact O-CB 3.24Å; A199-K203 WeakPolarHBondContact O-CB 3.44Å; A199-K203 PolarHBondContact O-N 3.07Å
200E97.8Very high97.5Very high92 Ų9273 Ų7343%0.4334%0.344SS..Hα-helixtrans-69.4-37.6176-69.9-54.3126.300112.4R161 A196 K203 A204R161-E200 IonicContact CZ-OE1 3.34Å; R161-E200 IonicContact NH1-OE1 2.9Å; R161-E200 IonicContact NH2-OE1 2.73Å; R161-E200 PolarHBondContact NH2-OE1 3.1Å; A196-E200 PolarHBondContact O-N 3.29Å; E200-K203 WeakPolarHBondContact O-CB 3.19Å; E200-K203 PolarHBondContact O-N 3.29Å; E200-K203 IonicContact OE2-NZ 3.16Å; E200-A204 PolarHBondContact O-N 2.8Å
201K98.2Very high97.6Very high123 Ų12372 Ų7254%0.53535%0.349SS..Hα-helixtrans-61.7-48173.7177.7-172.1164-151.40112.1K197 E198 K203 A204 Q205K197-K201 WeakPolarHBondContact O-CB 3.41Å; K197-K201 PolarHBondContact O-N 3.47Å; E198-K201 PolarHBondContact O-N 3.16Å; E198-K201 IonicContact OE1-NZ 3.78Å; E198-K201 PolarHBondContact OE1-NZ 2.77Å; E198-K201 IonicContact OE2-NZ 3.58Å; E198-K201 PolarHBondContact OE2-NZ 2.96Å; K201-K203 VanDerWaalsContact C-N 3.33Å; K201-A204 PolarHBondContact O-N 3.4Å; K201-Q205 PolarHBondContact O-N 3.02Å
202T98.2Very high97.8Very high16 Ų1670.9 Ų70.910%0.09835%0.348CS..Hα-helixtrans-69.1-31.4178.650.50000112.3A160 E198 A199 Q205 Y206A160-T202 HydrophobicContact CB-CG2 4.31Å; A160-T202 WeakPolarHBondContact CB-OG1 3.23Å; E198-T202 HydrophobicContact CG-CG2 4.47Å; E198-T202 WeakPolarHBondContact O-CB 3.36Å; E198-T202 WeakPolarHBondContact O-CG2 3.11Å; E198-T202 PolarHBondContact O-N 2.94Å; E198-T202 PolarHBondContact O-OG1 2.97Å; A199-T202 WeakPolarHBondContact CA-OG1 3.25Å; A199-T202 PolarHBondContact O-OG1 3.36Å; A199-T202 VanDerWaalsContact O-OG1 3.05Å; T202-Q205 PolarHBondContact O-N 3.05Å; T202-Y206 WeakPolarHBondContact O-CB 3.16Å; T202-Y206 PolarHBondContact O-N 3.27Å
203K98.4Very high97.9Very high64 Ų6470.6 Ų70.628%0.27835%0.346SS..Hα-helixtrans-62-50.5170-176.9-175.1164.6-163.40111.6Y157 A199 E200 K201 Q205 Y206 E207Y157-K203 HydrophobicContact CD2-CB 3.72Å; Y157-K203 HydrophobicContact CD2-CG 4.47Å; Y157-K203 HydrophobicContact CE2-CB 3.62Å; Y157-K203 HydrophobicContact CE2-CD 4.41Å; Y157-K203 HydrophobicContact CE2-CG 4.06Å; A199-K203 VanDerWaalsContact O-CB 3.24Å; A199-K203 WeakPolarHBondContact O-CB 3.44Å; A199-K203 PolarHBondContact O-N 3.07Å; E200-K203 WeakPolarHBondContact O-CB 3.19Å; E200-K203 PolarHBondContact O-N 3.29Å; E200-K203 IonicContact OE2-NZ 3.16Å; K201-K203 VanDerWaalsContact C-N 3.33Å; K203-Q205 VanDerWaalsContact C-N 3.28Å; K203-Q205 PolarHBondContact O-N 3.12Å; K203-Y206 WeakPolarHBondContact O-CB 3.33Å; K203-Y206 PolarHBondContact O-N 3.37Å; K203-E207 WeakPolarHBondContact CE-OE1 3.4Å; K203-E207 WeakPolarHBondContact O-CG 3.46Å; K203-E207 PolarHBondContact O-N 2.88Å
204A98.3Very high97.9Very high53 Ų5371 Ų7144%0.43835%0.348SS..Hα-helixtrans-59.5-39.8177.700000111.9E200 K201 E207 Q208E200-A204 PolarHBondContact O-N 2.8Å; K201-A204 PolarHBondContact O-N 3.4Å; A204-E207 PolarHBondContact O-N 2.77Å; A204-Q208 WeakPolarHBondContact O-CB 3.35Å; A204-Q208 PolarHBondContact O-N 3.36Å
205Q98Very high98Very high102 Ų10274.1 Ų74.148%0.47736%0.36SS..Hα-helixtrans-62.2-43.5172.9-172102.349.100111.9K201 T202 K203 Q208 T209K201-Q205 PolarHBondContact O-N 3.02Å; T202-Q205 PolarHBondContact O-N 3.05Å; K203-Q205 VanDerWaalsContact C-N 3.28Å; K203-Q205 PolarHBondContact O-N 3.12Å; Q205-Q208 PolarHBondContact O-N 2.87Å; Q205-T209 WeakPolarHBondContact O-CG2 3.42Å; Q205-T209 PolarHBondContact O-N 3.25Å; Q205-T209 PolarHBondContact O-OG1 3.29Å
206Y98.5Very high98Very high50 Ų5075.2 Ų75.220%0.19636%0.361CS..Hα-helixtrans-62.9-47.2177.4176.9-136.2000111.7V150 S153 K154 Y157 T202 K203 Q208 T209 L210V150-Y206 HydrophobicContact CG1-CD2 4.44Å; V150-Y206 HydrophobicContact CG1-CE2 3.8Å; S153-Y206 WeakPolarHBondContact OG-CD2 3.25Å; K154-Y206 HydrophobicContact CB-CD2 4.02Å; K154-Y206 HydrophobicContact CB-CE2 3.62Å; K154-Y206 HydrophobicContact CG-CE2 4.23Å; Y157-Y206 HydrophobicContact CD1-CD1 4.23Å; T202-Y206 WeakPolarHBondContact O-CB 3.16Å; T202-Y206 PolarHBondContact O-N 3.27Å; K203-Y206 WeakPolarHBondContact O-CB 3.33Å; K203-Y206 PolarHBondContact O-N 3.37Å; Y206-Q208 VanDerWaalsContact C-N 3.32Å; Y206-Q208 PolarHBondContact O-N 3.12Å; Y206-T209 WeakPolarHBondContact CA-OG1 3.5Å; Y206-T209 PolarHBondContact O-N 3.42Å; Y206-T209 PolarHBondContact O-OG1 2.99Å; Y206-L210 HydrophobicContact CD1-CD1 4.25Å; Y206-L210 HydrophobicContact CD2-CD1 4.04Å; Y206-L210 HydrophobicContact CD2-CG 4.1Å; Y206-L210 HydrophobicContact CE1-CD1 3.83Å; Y206-L210 HydrophobicContact CE2-CD1 3.63Å; Y206-L210 HydrophobicContact CE2-CD2 4.19Å; Y206-L210 HydrophobicContact CE2-CG 3.75Å; Y206-L210 HydrophobicContact CG-CD1 4.35Å; Y206-L210 PolarHBondContact O-N 3.45Å
207E98.5Very high98.1Very high104 Ų10475.7 Ų75.749%0.48636%0.361SS..Hα-helixtrans-58.8-41.4175.3-71.3173.2170.700112K203 A204 L210 A211K203-E207 WeakPolarHBondContact CE-OE1 3.4Å; K203-E207 WeakPolarHBondContact O-CG 3.46Å; K203-E207 PolarHBondContact O-N 2.88Å; A204-E207 PolarHBondContact O-N 2.77Å; E207-L210 PolarHBondContact O-N 3.41Å; E207-A211 WeakPolarHBondContact O-CB 2.88Å; E207-A211 PolarHBondContact O-N 3.36Å
208Q98.4Very high98.1Very high103 Ų10372.3 Ų72.348%0.48136%0.355SS..Hα-helixtrans-61.5-50.4174.6-177-174.6-1.400111.8A204 Q205 Y206 L210 A211 E212A204-Q208 WeakPolarHBondContact O-CB 3.35Å; A204-Q208 PolarHBondContact O-N 3.36Å; Q205-Q208 PolarHBondContact O-N 2.87Å; Y206-Q208 VanDerWaalsContact C-N 3.32Å; Y206-Q208 PolarHBondContact O-N 3.12Å; Q208-L210 VanDerWaalsContact C-N 3.27Å; Q208-L210 PolarHBondContact O-N 2.94Å; Q208-A211 PolarHBondContact O-N 2.74Å; Q208-E212 PolarHBondContact NE2-OE1 3.04Å; Q208-E212 VanDerWaalsContact NE2-OE1 3.14Å; Q208-E212 WeakPolarHBondContact O-CG 3.48Å; Q208-E212 PolarHBondContact O-N 3.24Å
209T98.2Very high98.1Very high15 Ų1574 Ų749%0.09236%0.357CS..Hα-helixtrans-61.9-36.1179.653.50000112.1E149 V150 S153 Q205 Y206 E212 L213E149-T209 HydrophobicContact CB-CG2 4.4Å; V150-T209 VanDerWaalsContact CG2-C 3.49Å; V150-T209 VanDerWaalsContact CG2-O 3.29Å; V150-T209 WeakPolarHBondContact CG2-O 3.27Å; S153-T209 PolarHBondContact OG-OG1 2.89Å; Q205-T209 WeakPolarHBondContact O-CG2 3.42Å; Q205-T209 PolarHBondContact O-N 3.25Å; Q205-T209 PolarHBondContact O-OG1 3.29Å; Y206-T209 WeakPolarHBondContact CA-OG1 3.5Å; Y206-T209 PolarHBondContact O-N 3.42Å; Y206-T209 PolarHBondContact O-OG1 2.99Å; T209-E212 PolarHBondContact O-N 3.12Å; T209-L213 PolarHBondContact O-N 3.41Å
210L98.4Very high98.2Very high45 Ų4574.2 Ų74.224%0.23636%0.358CS..Hα-helixtrans-65.8-44.6174.1-80.3171.9000111.9V150 Y206 E207 Q208 E212 L213 H214V150-L210 HydrophobicContact CG1-CD2 3.54Å; V150-L210 HydrophobicContact CG1-CG 4.08Å; V150-L210 HydrophobicContact CG2-CD2 4.32Å; Y206-L210 HydrophobicContact CD1-CD1 4.25Å; Y206-L210 HydrophobicContact CD2-CD1 4.04Å; Y206-L210 HydrophobicContact CD2-CG 4.1Å; Y206-L210 HydrophobicContact CE1-CD1 3.83Å; Y206-L210 HydrophobicContact CE2-CD1 3.63Å; Y206-L210 HydrophobicContact CE2-CD2 4.19Å; Y206-L210 HydrophobicContact CE2-CG 3.75Å; Y206-L210 HydrophobicContact CG-CD1 4.35Å; Y206-L210 PolarHBondContact O-N 3.45Å; E207-L210 PolarHBondContact O-N 3.41Å; Q208-L210 VanDerWaalsContact C-N 3.27Å; Q208-L210 PolarHBondContact O-N 2.94Å; L210-E212 VanDerWaalsContact C-N 3.31Å; L210-E212 PolarHBondContact O-N 3.42Å; L210-L213 PolarHBondContact O-N 3.13Å; L210-H214 PolarHBondContact O-N 2.66Å
211A98.3Very high98.2Very high59 Ų5973.3 Ų73.349%0.48836%0.355SS..Hα-helixtrans-61.4-40.2177.100000111.9E207 Q208 H214 R215E207-A211 WeakPolarHBondContact O-CB 2.88Å; E207-A211 PolarHBondContact O-N 3.36Å; Q208-A211 PolarHBondContact O-N 2.74Å; A211-H214 PolarHBondContact O-N 2.72Å; A211-R215 WeakPolarHBondContact O-CB 3.23Å; A211-R215 PolarHBondContact O-N 2.76Å
212E97.7Very high98.2Very high80 Ų8072.5 Ų72.537%0.37435%0.353SS..Hα-helixtrans-65.1-39.7175-71.5-179.9-162.200112.7Q208 T209 L210 Y216Q208-E212 PolarHBondContact NE2-OE1 3.04Å; Q208-E212 VanDerWaalsContact NE2-OE1 3.14Å; Q208-E212 WeakPolarHBondContact O-CG 3.48Å; Q208-E212 PolarHBondContact O-N 3.24Å; T209-E212 PolarHBondContact O-N 3.12Å; L210-E212 VanDerWaalsContact C-N 3.31Å; L210-E212 PolarHBondContact O-N 3.42Å; E212-Y216 PolarHBondContact O-N 2.94Å
213L98.1Very high98.2Very high12 Ų1273.6 Ų73.66%0.06336%0.358CS..Hα-helixtrans-63.6-48.5173.9-176.669.1000111.3W143 R146 L147 V150 T209 L210 R215 Y216 T217W143-L213 HydrophobicContact CD2-CD1 4.34Å; W143-L213 HydrophobicContact CG-CD1 4.21Å; R146-L213 HydrophobicContact CB-CD1 3.66Å; L147-L213 HydrophobicContact CB-CD1 4.49Å; L147-L213 HydrophobicContact CD1-CD2 4.13Å; V150-L213 HydrophobicContact CG2-CB 4.04Å; V150-L213 HydrophobicContact CG2-CD2 4.04Å; T209-L213 PolarHBondContact O-N 3.41Å; L210-L213 PolarHBondContact O-N 3.13Å; L213-R215 VanDerWaalsContact C-N 3.32Å; L213-R215 PolarHBondContact O-N 3.05Å; L213-Y216 PolarHBondContact O-N 3.06Å; L213-Y216 VanDerWaalsContact O-N 3.13Å; L213-T217 PolarHBondContact O-N 3.33Å; L213-T217 PolarHBondContact O-OG1 2.93Å
214H97.8Very high98.2Very high127 Ų12770.5 Ų70.559%0.58835%0.345SS*.Hα-helixtrans-60.6-40.9177.7-70.2165.3000111.8L210 A211 Y216 T217 P218L210-H214 PolarHBondContact O-N 2.66Å; A211-H214 PolarHBondContact O-N 2.72Å; H214-Y216 PolarHBondContact O-N 3.11Å; H214-T217 PolarHBondContact O-N 3.4Å; H214-P218 VanDerWaalsContact O-CD 3.26Å; H214-P218 WeakPolarHBondContact O-CD 3.36Å
215R98.3Very high98.2Very high223 Ų22372.8 Ų72.884%0.84235%0.346SS*.Hα-helixtrans-62.4-31.8176.5-162.2-179.493156.45.4112.9A211 L213A211-R215 WeakPolarHBondContact O-CB 3.23Å; A211-R215 PolarHBondContact O-N 2.76Å; L213-R215 VanDerWaalsContact C-N 3.32Å; L213-R215 PolarHBondContact O-N 3.05Å
216Y97.8Very high98.3Very high45 Ų4574.1 Ų74.118%0.17635%0.353CS..Hα-helixtrans-87.1-19.2179-167.3-101.2000113.5P142 W143 E212 L213 H214 R219 Y220P142-Y216 HydrophobicContact CB-CE1 3.71Å; P142-Y216 VanDerWaalsContact CB-OH 3.28Å; P142-Y216 WeakPolarHBondContact CB-OH 3.39Å; P142-Y216 WeakPolarHBondContact CG-OH 3.35Å; W143-Y216 HydrophobicContact CB-CD1 4.19Å; W143-Y216 HydrophobicContact CB-CE1 4.19Å; E212-Y216 PolarHBondContact O-N 2.94Å; L213-Y216 PolarHBondContact O-N 3.06Å; L213-Y216 VanDerWaalsContact O-N 3.13Å; H214-Y216 PolarHBondContact O-N 3.11Å; Y216-R219 HydrophobicContact CD2-CB 4.44Å; Y216-R219 HydrophobicContact CE2-CB 4.22Å; Y216-R219 HydrophobicContact CE2-CG 4.06Å; Y216-R219 PolarHBondContact O-N 3.1Å; Y216-R219 VanDerWaalsContact O-N 3.07Å; Y216-Y220 PolarHBondContact O-N 3.09Å
217T98Very high98.3Very high38 Ų3872.4 Ų72.423%0.23335%0.349CS..Hα-helixtrans-57.5-41.9-174.2-63.20000113.7L213 H214 R219 Y220 M221L213-T217 PolarHBondContact O-N 3.33Å; L213-T217 PolarHBondContact O-OG1 2.93Å; H214-T217 PolarHBondContact O-N 3.4Å; T217-R219 VanDerWaalsContact C-N 3.3Å; T217-R219 PolarHBondContact O-N 2.99Å; T217-Y220 WeakPolarHBondContact O-CB 3.47Å; T217-Y220 PolarHBondContact O-N 3.38Å; T217-M221 HydrophobicContact CG2-CG 4.38Å; T217-M221 HydrophobicContact CG2-SD 4.13Å; T217-M221 WeakPolarHBondContact O-CG 3.49Å; T217-M221 PolarHBondContact O-N 2.55Å
218P98.4Very high98.3Very high85 Ų8570.2 Ų70.255%0.55234%0.338SS*.Hα-helixtrans-58-40.1174.7-26.935.4000113.4H214 M221 E222H214-P218 VanDerWaalsContact O-CD 3.26Å; H214-P218 WeakPolarHBondContact O-CD 3.36Å; P218-M221 PolarHBondContact O-N 2.99Å; P218-E222 PolarHBondContact O-N 3.12Å
219R98.1Very high98.3Very high117 Ų11770.4 Ų70.444%0.44234%0.339SS..Hα-helixtrans-69-39.5177.6-179.658.9-171.2-1705.6112.1Y216 T217 M221 E222 D223Y216-R219 HydrophobicContact CD2-CB 4.44Å; Y216-R219 HydrophobicContact CE2-CB 4.22Å; Y216-R219 HydrophobicContact CE2-CG 4.06Å; Y216-R219 PolarHBondContact O-N 3.1Å; Y216-R219 VanDerWaalsContact O-N 3.07Å; T217-R219 VanDerWaalsContact C-N 3.3Å; T217-R219 PolarHBondContact O-N 2.99Å; R219-M221 VanDerWaalsContact C-N 3.33Å; R219-E222 VanDerWaalsContact CD-OE2 3.29Å; R219-E222 WeakPolarHBondContact CD-OE2 3.44Å; R219-E222 IonicContact CZ-OE2 2.66Å; R219-E222 IonicContact NE-OE2 3.73Å; R219-E222 VanDerWaalsContact NH1-CD 3.33Å; R219-E222 IonicContact NH1-OE1 2.74Å; R219-E222 PolarHBondContact NH1-OE1 2.77Å; R219-E222 IonicContact NH1-OE2 3.5Å; R219-E222 PolarHBondContact NH1-OE2 2.84Å; R219-E222 PolarHBondContact O-N 3.4Å; R219-D223 IonicContact CZ-OD1 3.62Å; R219-D223 IonicContact CZ-OD2 3.71Å; R219-D223 VanDerWaalsContact NE-CG 3.35Å; R219-D223 IonicContact NE-OD1 2.76Å; R219-D223 PolarHBondContact NE-OD1 3.47Å; R219-D223 VanDerWaalsContact NE-OD1 3.15Å; R219-D223 IonicContact NE-OD2 3.96Å; R219-D223 PolarHBondContact NE-OD2 3.33Å; R219-D223 IonicContact NH2-OD1 2.72Å; R219-D223 PolarHBondContact NH2-OD1 2.93Å; R219-D223 IonicContact NH2-OD2 3.15Å; R219-D223 WeakPolarHBondContact O-CB 3.44Å; R219-D223 PolarHBondContact O-N 3.39Å
220Y98.2Very high98.2Very high5 Ų573.8 Ų73.82%0.0236%0.36CS..Hα-helixtrans-58.5-45.8172.8165.3-120.6000111.6W17 Q140 W143 Y216 T217 D223 M224W17-Y220 HydrophobicContact CE3-CE1 4.01Å; W17-Y220 PolarHBondContact O-OH 2.93Å; Q140-Y220 HydrophobicContact CB-CE2 3.92Å; Q140-Y220 HydrophobicContact CG-CE2 3.81Å; Q140-Y220 PolarHBondContact NE2-OH 2.69Å; W143-Y220 HydrophobicContact CB-CD1 4.29Å; W143-Y220 HydrophobicContact CB-CD2 3.71Å; W143-Y220 HydrophobicContact CB-CE2 4.25Å; W143-Y220 HydrophobicContact CB-CG 3.72Å; W143-Y220 AromaticContact CD1-CD1 3.56Å; W143-Y220 AromaticContact CD1-CG 3.68Å; W143-Y220 HydrophobicContact CD2-CD1 4.02Å; W143-Y220 AromaticContact CD2-CE1 3.96Å; W143-Y220 HydrophobicContact CD2-CE1 3.96Å; W143-Y220 HydrophobicContact CD2-CG 4.35Å; W143-Y220 HydrophobicContact CE3-CE1 4.37Å; W143-Y220 AromaticContact CG-CD1 3.72Å; W143-Y220 HydrophobicContact CG-CD1 3.72Å; W143-Y220 HydrophobicContact CG-CD2 4.03Å; W143-Y220 HydrophobicContact CG-CE1 4.13Å; W143-Y220 HydrophobicContact CG-CE2 4.42Å; W143-Y220 AromaticContact CG-CG 3.65Å; W143-Y220 HydrophobicContact CG-CG 3.65Å; W143-Y220 AromaticContact NE1-CD1 3.79Å; Y216-Y220 PolarHBondContact O-N 3.09Å; T217-Y220 WeakPolarHBondContact O-CB 3.47Å; T217-Y220 PolarHBondContact O-N 3.38Å; Y220-D223 PolarHBondContact O-N 2.62Å; Y220-M224 HydrophobicContact CD2-CG 3.59Å; Y220-M224 HydrophobicContact CD2-SD 4.43Å; Y220-M224 HydrophobicContact CE2-CE 4.28Å; Y220-M224 HydrophobicContact CE2-CG 3.19Å; Y220-M224 HydrophobicContact CE2-SD 3.68Å; Y220-M224 HydrophobicContact CG-CG 4.44Å; Y220-M224 WeakPolarHBondContact O-CB 3.46Å; Y220-M224 WeakPolarHBondContact O-CG 3.49Å; Y220-M224 PolarHBondContact O-N 2.84Å
221M98.4Very high98.2Very high73 Ų7372.1 Ų72.136%0.3635%0.351SS..Hα-helixtrans-61.4-48.8177.7-68.317465.500111.6W17 T217 P218 R219 D223 M224 E225W17-M221 HydrophobicContact CE3-CG 4.44Å; W17-M221 HydrophobicContact CH2-CB 4.13Å; W17-M221 HydrophobicContact CH2-CE 4.33Å; W17-M221 HydrophobicContact CH2-CG 4.01Å; W17-M221 HydrophobicContact CZ2-CE 4.32Å; W17-M221 HydrophobicContact CZ3-CB 4.16Å; W17-M221 HydrophobicContact CZ3-CG 3.88Å; T217-M221 HydrophobicContact CG2-CG 4.38Å; T217-M221 HydrophobicContact CG2-SD 4.13Å; T217-M221 WeakPolarHBondContact O-CG 3.49Å; T217-M221 PolarHBondContact O-N 2.55Å; P218-M221 PolarHBondContact O-N 2.99Å; R219-M221 VanDerWaalsContact C-N 3.33Å; M221-D223 PolarHBondContact O-N 3.03Å; M221-M224 PolarHBondContact O-N 2.9Å; M221-E225 WeakPolarHBondContact O-CB 3.26Å; M221-E225 WeakPolarHBondContact O-CG 3.37Å; M221-E225 PolarHBondContact O-N 3.2Å
222E98.5Very high98.2Very high106 Ų10672.4 Ų72.450%0.49534%0.343SS..Hα-helixtrans-55.5-49.6176.5-175.1-168.8-176.700112.1P218 R219 M224 E225 Q226P218-E222 PolarHBondContact O-N 3.12Å; R219-E222 VanDerWaalsContact CD-OE2 3.29Å; R219-E222 WeakPolarHBondContact CD-OE2 3.44Å; R219-E222 IonicContact CZ-OE2 2.66Å; R219-E222 IonicContact NE-OE2 3.73Å; R219-E222 VanDerWaalsContact NH1-CD 3.33Å; R219-E222 IonicContact NH1-OE1 2.74Å; R219-E222 PolarHBondContact NH1-OE1 2.77Å; R219-E222 IonicContact NH1-OE2 3.5Å; R219-E222 PolarHBondContact NH1-OE2 2.84Å; R219-E222 PolarHBondContact O-N 3.4Å; E222-M224 PolarHBondContact O-N 3.41Å; E222-E225 PolarHBondContact O-N 2.84Å; E222-Q226 WeakPolarHBondContact O-CB 3.02Å; E222-Q226 PolarHBondContact O-N 3.48Å
223D98.4Very high98.3Very high39 Ų3971.2 Ų71.221%0.20935%0.347CS..Hα-helixtrans-66.9-35.5-179-72.1-35.8000111.9A139 R219 Y220 M221 A227A139-D223 HydrophobicContact CB-CB 3.65Å; R219-D223 IonicContact CZ-OD1 3.62Å; R219-D223 IonicContact CZ-OD2 3.71Å; R219-D223 VanDerWaalsContact NE-CG 3.35Å; R219-D223 IonicContact NE-OD1 2.76Å; R219-D223 PolarHBondContact NE-OD1 3.47Å; R219-D223 VanDerWaalsContact NE-OD1 3.15Å; R219-D223 IonicContact NE-OD2 3.96Å; R219-D223 PolarHBondContact NE-OD2 3.33Å; R219-D223 IonicContact NH2-OD1 2.72Å; R219-D223 PolarHBondContact NH2-OD1 2.93Å; R219-D223 IonicContact NH2-OD2 3.15Å; R219-D223 WeakPolarHBondContact O-CB 3.44Å; R219-D223 PolarHBondContact O-N 3.39Å; Y220-D223 PolarHBondContact O-N 2.62Å; M221-D223 PolarHBondContact O-N 3.03Å; D223-A227 PolarHBondContact O-N 2.9Å
224M98.6Very high98.2Very high0 Ų073.6 Ų73.60%037%0.368CS..Hα-helixtrans-71.2-42.3176.1-73.1-68.7-74.600112.4F16 W17 Y22 F136 A139 Q140 Y220 M221 E222 Q226 A227 F228F16-M224 HydrophobicContact CE1-CB 4.27Å; F16-M224 HydrophobicContact CE1-CE 3.9Å; F16-M224 HydrophobicContact CE2-CE 4.28Å; F16-M224 HydrophobicContact CZ-CB 4.45Å; F16-M224 HydrophobicContact CZ-CE 3.67Å; W17-M224 HydrophobicContact CZ3-CB 3.92Å; W17-M224 HydrophobicContact CZ3-CG 4.43Å; Y22-M224 HydrophobicContact CD1-CE 4.13Å; Y22-M224 HydrophobicContact CG-CE 4.49Å; F136-M224 HydrophobicContact CD1-CE 3.86Å; F136-M224 HydrophobicContact CD1-SD 3.9Å; F136-M224 HydrophobicContact CE1-CE 4.41Å; A139-M224 HydrophobicContact CB-CG 4.14Å; A139-M224 HydrophobicContact CB-SD 3.78Å; Q140-M224 HydrophobicContact CB-SD 3.99Å; Y220-M224 HydrophobicContact CD2-CG 3.59Å; Y220-M224 HydrophobicContact CD2-SD 4.43Å; Y220-M224 HydrophobicContact CE2-CE 4.28Å; Y220-M224 HydrophobicContact CE2-CG 3.19Å; Y220-M224 HydrophobicContact CE2-SD 3.68Å; Y220-M224 HydrophobicContact CG-CG 4.44Å; Y220-M224 WeakPolarHBondContact O-CB 3.46Å; Y220-M224 WeakPolarHBondContact O-CG 3.49Å; Y220-M224 PolarHBondContact O-N 2.84Å; M221-M224 PolarHBondContact O-N 2.9Å; E222-M224 PolarHBondContact O-N 3.41Å; M224-Q226 VanDerWaalsContact C-N 3.34Å; M224-A227 PolarHBondContact O-N 2.93Å; M224-F228 WeakPolarHBondContact O-CB 3.33Å; M224-F228 PolarHBondContact O-N 3.43Å
225E98.6Very high98.2Very high100 Ų10068.7 Ų68.747%0.46735%0.345SS..Hα-helixtrans-62.6-41.6175.2-76.5176.8-172.100110.7W17 M221 E222 A227 F228 E229W17-E225 HydrophobicContact CH2-CG 4.2Å; M221-E225 WeakPolarHBondContact O-CB 3.26Å; M221-E225 WeakPolarHBondContact O-CG 3.37Å; M221-E225 PolarHBondContact O-N 3.2Å; E222-E225 PolarHBondContact O-N 2.84Å; E225-A227 VanDerWaalsContact C-N 3.34Å; E225-A227 PolarHBondContact O-N 3.05Å; E225-F228 CarbonylContact O-C 3.56Å; E225-F228 WeakPolarHBondContact O-CB 3.35Å; E225-F228 PolarHBondContact O-N 2.73Å; E225-F228 VanDerWaalsContact O-N 3.14Å; E225-E229 WeakPolarHBondContact O-CB 3.2Å; E225-E229 WeakPolarHBondContact O-CG 3.36Å; E225-E229 PolarHBondContact O-N 3.25Å
226Q98.4Very high98.2Very high130 Ų13066.1 Ų66.161%0.60734%0.336SS*.Hα-helixtrans-60.9-41.3176-175.360.461.900112.8E222 M224 T230E222-Q226 WeakPolarHBondContact O-CB 3.02Å; E222-Q226 PolarHBondContact O-N 3.48Å; M224-Q226 VanDerWaalsContact C-N 3.34Å; Q226-T230 PolarHBondContact O-N 2.94Å; Q226-T230 PolarHBondContact O-OG1 3.44Å
227A98.2Very high98.3Very high14 Ų1469.6 Ų69.612%0.11635%0.353CS..Hα-helixtrans-67.4-39.5174.300000111.7F136 D223 M224 E225 T230 C231F136-A227 HydrophobicContact CD1-CB 3.7Å; F136-A227 HydrophobicContact CE1-CB 3.68Å; F136-A227 HydrophobicContact CG-CB 4.23Å; F136-A227 HydrophobicContact CZ-CB 4.22Å; D223-A227 PolarHBondContact O-N 2.9Å; M224-A227 PolarHBondContact O-N 2.93Å; E225-A227 VanDerWaalsContact C-N 3.34Å; E225-A227 PolarHBondContact O-N 3.05Å; A227-T230 WeakPolarHBondContact O-CB 3.45Å; A227-T230 PolarHBondContact O-N 3.44Å; A227-C231 PolarHBondContact O-N 3.36Å; A227-C231 PolarHBondContact O-SG 2.81Å
228F98.6Very high98.3Very high58 Ų5868.9 Ų68.925%0.25435%0.347SS..Hα-helixtrans-64.8-47.1177-177.4-97.4000112.4F16 T25 F136 M224 E225 T230 C231 Q232F16-F228 HydrophobicContact CE2-CD2 4.14Å; F16-F228 HydrophobicContact CZ-CB 4.41Å; F16-F228 HydrophobicContact CZ-CD2 4.32Å; T25-F228 HydrophobicContact CG2-CD2 3.87Å; T25-F228 HydrophobicContact CG2-CE2 4.02Å; F136-F228 HydrophobicContact CE1-CB 4.18Å; F136-F228 HydrophobicContact CZ-CB 4.2Å; F136-F228 HydrophobicContact CZ-CD2 4.49Å; M224-F228 WeakPolarHBondContact O-CB 3.33Å; M224-F228 PolarHBondContact O-N 3.43Å; E225-F228 CarbonylContact O-C 3.56Å; E225-F228 WeakPolarHBondContact O-CB 3.35Å; E225-F228 PolarHBondContact O-N 2.73Å; E225-F228 VanDerWaalsContact O-N 3.14Å; F228-T230 VanDerWaalsContact C-N 3.26Å; F228-T230 PolarHBondContact O-N 3.45Å; F228-C231 CarbonylContact O-C 3.54Å; F228-C231 WeakPolarHBondContact O-CA 3.49Å; F228-C231 VanDerWaalsContact O-CB 3.32Å; F228-C231 WeakPolarHBondContact O-CB 3.35Å; F228-C231 PolarHBondContact O-N 3.26Å; F228-Q232 HydrophobicContact CD1-CG 3.69Å; F228-Q232 HydrophobicContact CE1-CG 3.34Å; F228-Q232 HydrophobicContact CG-CG 4.44Å; F228-Q232 HydrophobicContact CZ-CG 3.83Å; F228-Q232 WeakPolarHBondContact O-CG 3.32Å; F228-Q232 PolarHBondContact O-N 3.01Å
229E98.5Very high98.3Very high108 Ų10869.3 Ų69.351%0.50534%0.343SS..Hα-helixtrans-62.4-33.3178.1-75.3-55.1140.700112.3E225 C231 Q232 A233E225-E229 WeakPolarHBondContact O-CB 3.2Å; E225-E229 WeakPolarHBondContact O-CG 3.36Å; E225-E229 PolarHBondContact O-N 3.25Å; E229-C231 VanDerWaalsContact C-N 3.31Å; E229-C231 PolarHBondContact O-N 3.05Å; E229-Q232 PolarHBondContact O-N 3.39Å; E229-A233 WeakPolarHBondContact O-CB 3.24Å; E229-A233 PolarHBondContact O-N 3.46Å
230T97.7Very high98.3Very high86 Ų8668 Ų6853%0.52835%0.345SS..Hα-helixtrans-60.8-42.7171-54.80000111.1Q226 A227 F228 A233 A234Q226-T230 PolarHBondContact O-N 2.94Å; Q226-T230 PolarHBondContact O-OG1 3.44Å; A227-T230 WeakPolarHBondContact O-CB 3.45Å; A227-T230 PolarHBondContact O-N 3.44Å; F228-T230 VanDerWaalsContact C-N 3.26Å; F228-T230 PolarHBondContact O-N 3.45Å; T230-A233 PolarHBondContact O-N 3.08Å; T230-A234 PolarHBondContact O-N 3.44Å
231C98.1Very high98.3Very high9 Ų968.9 Ų68.96%0.06135%0.349CS..Hα-helixtrans-69.5-35.3175.9-59.40000112.4T25 R28 A227 F228 E229 E235T25-C231 HydrophobicContact CG2-CB 3.63Å; R28-C231 PolarHBondContact NH2-O 2.89Å; A227-C231 PolarHBondContact O-N 3.36Å; A227-C231 PolarHBondContact O-SG 2.81Å; F228-C231 CarbonylContact O-C 3.54Å; F228-C231 WeakPolarHBondContact O-CA 3.49Å; F228-C231 VanDerWaalsContact O-CB 3.32Å; F228-C231 WeakPolarHBondContact O-CB 3.35Å; F228-C231 PolarHBondContact O-N 3.26Å; E229-C231 VanDerWaalsContact C-N 3.31Å; E229-C231 PolarHBondContact O-N 3.05Å; C231-E235 WeakPolarHBondContact O-CB 3.47Å; C231-E235 PolarHBondContact O-N 3.09Å
232Q98.5Very high98.3Very high65 Ų6566.7 Ų66.730%0.30434%0.337SS..Hα-helixtrans-66.3-41.5175.2-69.1-71.8100.900111.6R28 F228 E229 E235 R236R28-Q232 VanDerWaalsContact CZ-OE1 3.24Å; F228-Q232 HydrophobicContact CD1-CG 3.69Å; F228-Q232 HydrophobicContact CE1-CG 3.34Å; F228-Q232 HydrophobicContact CG-CG 4.44Å; F228-Q232 HydrophobicContact CZ-CG 3.83Å; F228-Q232 WeakPolarHBondContact O-CG 3.32Å; F228-Q232 PolarHBondContact O-N 3.01Å; E229-Q232 PolarHBondContact O-N 3.39Å; Q232-E235 PolarHBondContact O-N 3.37Å; Q232-R236 WeakPolarHBondContact O-CB 3.49Å; Q232-R236 PolarHBondContact O-N 3.44Å
233A98.1Very high98.4Very high56 Ų5668.3 Ų68.346%0.46334%0.343SS..Hα-helixtrans-62.8-43177.400000111.9E229 T230 R236 Q237E229-A233 WeakPolarHBondContact O-CB 3.24Å; E229-A233 PolarHBondContact O-N 3.46Å; T230-A233 PolarHBondContact O-N 3.08Å; A233-R236 PolarHBondContact O-N 3.47Å; A233-Q237 PolarHBondContact O-N 2.94Å
234A96.7Very high98.4Very high61 Ų6169.7 Ų69.750%0.50435%0.35SS..Hα-helixtrans-63.8-45.3174.300000111.8T230 R236 Q237 R238T230-A234 PolarHBondContact O-N 3.44Å; A234-R236 VanDerWaalsContact C-N 3.31Å; A234-R236 PolarHBondContact O-N 3.43Å; A234-Q237 WeakPolarHBondContact O-CB 3.46Å; A234-Q237 PolarHBondContact O-N 2.94Å; A234-Q237 VanDerWaalsContact O-N 3.14Å; A234-R238 PolarHBondContact O-N 3.48Å
235E98.4Very high98.4Very high25 Ų2569.7 Ų69.712%0.11735%0.35CS..Hα-helixtrans-63.2-37.2177.8178.859.5-173.100112.1C231 Q232 Q237 R238 L239C231-E235 WeakPolarHBondContact O-CB 3.47Å; C231-E235 PolarHBondContact O-N 3.09Å; Q232-E235 PolarHBondContact O-N 3.37Å; E235-Q237 VanDerWaalsContact C-N 3.28Å; E235-Q237 PolarHBondContact O-N 2.87Å; E235-R238 WeakPolarHBondContact O-CB 3.48Å; E235-R238 PolarHBondContact O-N 2.93Å; E235-R238 VanDerWaalsContact O-N 3.12Å; E235-R238 IonicContact OE1-CZ 3.32Å; E235-R238 IonicContact OE1-NE 2.62Å; E235-R238 PolarHBondContact OE1-NE 2.92Å; E235-R238 VanDerWaalsContact OE1-NE 3.16Å; E235-R238 IonicContact OE1-NH2 3.68Å; E235-R238 PolarHBondContact OE1-NH2 3.49Å; E235-R238 IonicContact OE2-CZ 3.81Å; E235-R238 IonicContact OE2-NE 3.38Å; E235-R238 PolarHBondContact OE2-NE 3.38Å; E235-R238 IonicContact OE2-NH2 2.74Å; E235-L239 HydrophobicContact CG-CD1 4.05Å; E235-L239 HydrophobicContact CG-CG 4.23Å; E235-L239 WeakPolarHBondContact O-CG 3.25Å; E235-L239 PolarHBondContact O-N 3.29Å
236R98.5Very high98.4Very high168 Ų16869 Ų6963%0.63435%0.349SS*.Hα-helixtrans-57.4-40173.9-179.6177.4-179.1135.90.9112.2Q232 A233 A234 L239 L240Q232-R236 WeakPolarHBondContact O-CB 3.49Å; Q232-R236 PolarHBondContact O-N 3.44Å; A233-R236 PolarHBondContact O-N 3.47Å; A234-R236 VanDerWaalsContact C-N 3.31Å; A234-R236 PolarHBondContact O-N 3.43Å; R236-L239 PolarHBondContact O-N 2.99Å; R236-L240 HydrophobicContact CG-CD1 4.03Å; R236-L240 HydrophobicContact CG-CG 4.44Å; R236-L240 WeakPolarHBondContact O-CB 3.45Å; R236-L240 VanDerWaalsContact O-CG 3.32Å; R236-L240 WeakPolarHBondContact O-CG 3.5Å; R236-L240 PolarHBondContact O-N 3.21Å
237Q98.3Very high98.4Very high118 Ų11867 Ų6755%0.55134%0.343SS*.Hα-helixtrans-62.5-44176.2-63.2-59-44.800111.3A233 A234 E235 F241A233-Q237 PolarHBondContact O-N 2.94Å; A234-Q237 WeakPolarHBondContact O-CB 3.46Å; A234-Q237 PolarHBondContact O-N 2.94Å; A234-Q237 VanDerWaalsContact O-N 3.14Å; E235-Q237 VanDerWaalsContact C-N 3.28Å; E235-Q237 PolarHBondContact O-N 2.87Å; Q237-F241 WeakPolarHBondContact O-CB 3.44Å; Q237-F241 PolarHBondContact O-N 3.18Å
238R98.4Very high98.4Very high24 Ų2467.2 Ų67.29%0.09134%0.342CS..Hα-helixtrans-61.6-47.6176-169.4-16873.377.2-0.4111.6W113 A234 E235 L240 F241 F242W113-R238 HydrophobicContact CH2-CB 3.65Å; W113-R238 HydrophobicContact CH2-CG 3.58Å; W113-R238 HydrophobicContact CZ2-CB 4.11Å; W113-R238 HydrophobicContact CZ2-CG 4.41Å; W113-R238 HydrophobicContact CZ3-CG 4.07Å; A234-R238 PolarHBondContact O-N 3.48Å; E235-R238 WeakPolarHBondContact O-CB 3.48Å; E235-R238 PolarHBondContact O-N 2.93Å; E235-R238 VanDerWaalsContact O-N 3.12Å; E235-R238 IonicContact OE1-CZ 3.32Å; E235-R238 IonicContact OE1-NE 2.62Å; E235-R238 PolarHBondContact OE1-NE 2.92Å; E235-R238 VanDerWaalsContact OE1-NE 3.16Å; E235-R238 IonicContact OE1-NH2 3.68Å; E235-R238 PolarHBondContact OE1-NH2 3.49Å; E235-R238 IonicContact OE2-CZ 3.81Å; E235-R238 IonicContact OE2-NE 3.38Å; E235-R238 PolarHBondContact OE2-NE 3.38Å; E235-R238 IonicContact OE2-NH2 2.74Å; R238-L240 PolarHBondContact O-N 3.07Å; R238-F241 PolarHBondContact O-N 3.43Å; R238-F242 HydrophobicContact CG-CD2 3.86Å; R238-F242 HydrophobicContact CG-CE2 3.72Å; R238-F242 VanDerWaalsContact O-CD2 3.24Å; R238-F242 WeakPolarHBondContact O-CD2 3.48Å; R238-F242 PolarHBondContact O-N 3.47Å
239L98.7Very high98.4Very high93 Ų9364.7 Ų64.749%0.48733%0.331SS..Hα-helixtrans-61.9-43.2-179.2-68.5173.8000112.3E235 R236 F242 K243E235-L239 HydrophobicContact CG-CD1 4.05Å; E235-L239 HydrophobicContact CG-CG 4.23Å; E235-L239 WeakPolarHBondContact O-CG 3.25Å; E235-L239 PolarHBondContact O-N 3.29Å; R236-L239 PolarHBondContact O-N 2.99Å; L239-F242 PolarHBondContact O-N 3.43Å; L239-K243 PolarHBondContact O-N 3.03Å
240L98.7Very high98.4Very high90 Ų9065.1 Ų65.147%0.47133%0.333SS..Hα-helixtrans-64.3-42.8175.7-72172.5000111.6R236 R238 K243 D244R236-L240 HydrophobicContact CG-CD1 4.03Å; R236-L240 HydrophobicContact CG-CG 4.44Å; R236-L240 WeakPolarHBondContact O-CB 3.45Å; R236-L240 VanDerWaalsContact O-CG 3.32Å; R236-L240 WeakPolarHBondContact O-CG 3.5Å; R236-L240 PolarHBondContact O-N 3.21Å; R238-L240 PolarHBondContact O-N 3.07Å; L240-K243 PolarHBondContact O-N 3.22Å; L240-D244 PolarHBondContact O-N 2.99Å
241F98.7Very high98.4Very high23 Ų2367 Ų6710%0.10134%0.336CS..Hα-helixtrans-60.8-46175.3174.9-104.4000112.1R109 V110 W113 Q237 R238 K243 D244 M245R109-F241 HydrophobicContact CG-CE2 4.38Å; V110-F241 HydrophobicContact CB-CZ 4.48Å; V110-F241 HydrophobicContact CG1-CE1 4.45Å; V110-F241 HydrophobicContact CG2-CE1 4.22Å; V110-F241 HydrophobicContact CG2-CZ 4.15Å; W113-F241 HydrophobicContact CB-CD1 4.32Å; W113-F241 HydrophobicContact CB-CD2 4.2Å; W113-F241 HydrophobicContact CB-CE1 3.82Å; W113-F241 HydrophobicContact CB-CE2 3.67Å; W113-F241 HydrophobicContact CB-CZ 3.47Å; W113-F241 VanDerWaalsContact CB-CZ 3.47Å; W113-F241 AromaticContact CD1-CD2 3.46Å; W113-F241 VanDerWaalsContact CD1-CD2 3.46Å; W113-F241 AromaticContact CD1-CE2 3.81Å; W113-F241 AromaticContact CD1-CG 3.66Å; W113-F241 HydrophobicContact CD2-CB 4.38Å; W113-F241 AromaticContact CD2-CD1 3.51Å; W113-F241 HydrophobicContact CD2-CD1 3.51Å; W113-F241 HydrophobicContact CD2-CD2 4.24Å; W113-F241 AromaticContact CD2-CE1 3.82Å; W113-F241 HydrophobicContact CD2-CE1 3.82Å; W113-F241 HydrophobicContact CD2-CE2 4.49Å; W113-F241 AromaticContact CD2-CG 3.76Å; W113-F241 HydrophobicContact CD2-CG 3.76Å; W113-F241 HydrophobicContact CD2-CZ 4.31Å; W113-F241 AromaticContact CE2-CD1 3.9Å; W113-F241 AromaticContact CE2-CG 3.77Å; W113-F241 AromaticContact CE3-CD1 3.76Å; W113-F241 HydrophobicContact CE3-CD1 3.76Å; W113-F241 AromaticContact CE3-CE1 3.94Å; W113-F241 HydrophobicContact CE3-CE1 3.94Å; W113-F241 HydrophobicContact CE3-CG 4.45Å; W113-F241 AromaticContact CG-CD1 3.74Å; W113-F241 HydrophobicContact CG-CD1 3.74Å; W113-F241 AromaticContact CG-CD2 3.7Å; W113-F241 HydrophobicContact CG-CD2 3.7Å; W113-F241 AromaticContact CG-CE1 3.75Å; W113-F241 HydrophobicContact CG-CE1 3.75Å; W113-F241 AromaticContact CG-CE2 3.7Å; W113-F241 HydrophobicContact CG-CE2 3.7Å; W113-F241 AromaticContact CG-CG 3.73Å; W113-F241 HydrophobicContact CG-CG 3.73Å; W113-F241 AromaticContact CG-CZ 3.74Å; W113-F241 HydrophobicContact CG-CZ 3.74Å; W113-F241 HydrophobicContact CZ2-CB 4.28Å; W113-F241 HydrophobicContact CZ3-CD1 4.38Å; W113-F241 AromaticContact NE1-CD2 3.87Å; W113-F241 AromaticContact NE1-CG 3.66Å; Q237-F241 WeakPolarHBondContact O-CB 3.44Å; Q237-F241 PolarHBondContact O-N 3.18Å; R238-F241 PolarHBondContact O-N 3.43Å; F241-K243 PolarHBondContact O-N 3.42Å; F241-D244 PolarHBondContact O-N 2.9Å; F241-M245 HydrophobicContact CD1-CG 4.38Å; F241-M245 HydrophobicContact CD2-CG 4.31Å; F241-M245 HydrophobicContact CE1-CG 3.77Å; F241-M245 HydrophobicContact CE2-CG 3.7Å; F241-M245 HydrophobicContact CE2-SD 4.19Å; F241-M245 HydrophobicContact CZ-CG 3.37Å; F241-M245 HydrophobicContact CZ-SD 4.05Å; F241-M245 WeakPolarHBondContact O-CB 3.42Å; F241-M245 PolarHBondContact O-N 2.94Å
242F98.7Very high98.4Very high28 Ų2868 Ų6812%0.12334%0.34CS..Hα-helixtrans-61.5-44.2177.9-90.5-122.6000111.5L35 L39 R238 L239 D244 M245 L246L35-F242 HydrophobicContact CB-CE1 4.15Å; L35-F242 HydrophobicContact CB-CZ 3.92Å; L39-F242 HydrophobicContact CB-CE1 4.4Å; L39-F242 HydrophobicContact CD2-CD1 4.26Å; L39-F242 HydrophobicContact CD2-CE1 4.1Å; L39-F242 HydrophobicContact CD2-CZ 4.35Å; R238-F242 HydrophobicContact CG-CD2 3.86Å; R238-F242 HydrophobicContact CG-CE2 3.72Å; R238-F242 VanDerWaalsContact O-CD2 3.24Å; R238-F242 WeakPolarHBondContact O-CD2 3.48Å; R238-F242 PolarHBondContact O-N 3.47Å; L239-F242 PolarHBondContact O-N 3.43Å; F242-D244 PolarHBondContact O-N 3.06Å; F242-M245 PolarHBondContact O-N 3.21Å; F242-L246 WeakPolarHBondContact O-CB 3.49Å; F242-L246 VanDerWaalsContact O-CG 3.27Å; F242-L246 WeakPolarHBondContact O-CG 3.3Å; F242-L246 PolarHBondContact O-N 2.76Å
243K98.8Very high98.4Very high139 Ų13966.9 Ų66.960%0.60434%0.335SS*.Hα-helixtrans-58.5-48.7176.5179.6-179175.91800111.5L239 L240 F241 M245 L246 L247L239-K243 PolarHBondContact O-N 3.03Å; L240-K243 PolarHBondContact O-N 3.22Å; F241-K243 PolarHBondContact O-N 3.42Å; K243-M245 VanDerWaalsContact C-N 3.33Å; K243-M245 PolarHBondContact O-N 3.06Å; K243-L246 PolarHBondContact O-N 2.79Å; K243-L247 HydrophobicContact CG-CD1 4.39Å; K243-L247 WeakPolarHBondContact O-CG 3.27Å; K243-L247 PolarHBondContact O-N 3.24Å; K243-L247 VanDerWaalsContact O-N 3.1Å
244D98.7Very high98.4Very high69 Ų6966.4 Ų66.437%0.36933%0.325SS..Hα-helixtrans-62.7-40.6178.9-174.872.7000112R109 L240 F241 F242 L247 T248R109-D244 IonicContact CZ-OD2 3.29Å; R109-D244 IonicContact NH1-OD2 3.79Å; R109-D244 PolarHBondContact NH1-OD2 2.96Å; R109-D244 IonicContact NH2-OD2 3.15Å; R109-D244 PolarHBondContact NH2-OD2 3.14Å; L240-D244 PolarHBondContact O-N 2.99Å; F241-D244 PolarHBondContact O-N 2.9Å; F242-D244 PolarHBondContact O-N 3.06Å; D244-L247 PolarHBondContact O-N 2.9Å; D244-T248 PolarHBondContact O-N 3.1Å; D244-T248 PolarHBondContact O-OG1 3.17Å; D244-T248 VanDerWaalsContact O-OG1 3.05Å
245M98.5Very high98.5Very high0 Ų064.9 Ų64.90%031%0.308CS..Hα-helixtrans-63.8-45.6175.1-83-51.6-34.800112.9D106 R109 V110 F241 F242 K243 L247 T248 L249D106-M245 HydrophobicContact CB-CE 3.93Å; R109-M245 HydrophobicContact CB-SD 4.09Å; R109-M245 WeakPolarHBondContact CD-SD 3.47Å; R109-M245 HydrophobicContact CG-SD 3.68Å; V110-M245 HydrophobicContact CG2-CE 4.45Å; V110-M245 HydrophobicContact CG2-CG 4.05Å; V110-M245 HydrophobicContact CG2-SD 4.33Å; F241-M245 HydrophobicContact CD1-CG 4.38Å; F241-M245 HydrophobicContact CD2-CG 4.31Å; F241-M245 HydrophobicContact CE1-CG 3.77Å; F241-M245 HydrophobicContact CE2-CG 3.7Å; F241-M245 HydrophobicContact CE2-SD 4.19Å; F241-M245 HydrophobicContact CZ-CG 3.37Å; F241-M245 HydrophobicContact CZ-SD 4.05Å; F241-M245 WeakPolarHBondContact O-CB 3.42Å; F241-M245 PolarHBondContact O-N 2.94Å; F242-M245 PolarHBondContact O-N 3.21Å; K243-M245 VanDerWaalsContact C-N 3.33Å; K243-M245 PolarHBondContact O-N 3.06Å; M245-L247 PolarHBondContact O-N 3.21Å; M245-T248 HydrophobicContact CE-CG2 4.4Å; M245-T248 WeakPolarHBondContact O-CB 3.34Å; M245-T248 PolarHBondContact O-N 3.31Å; M245-T248 VanDerWaalsContact O-N 3.1Å; M245-L249 HydrophobicContact CE-CD1 4.39Å; M245-L249 HydrophobicContact CE-CG 4.14Å; M245-L249 WeakPolarHBondContact O-CB 3.33Å; M245-L249 WeakPolarHBondContact O-CD1 3.46Å; M245-L249 VanDerWaalsContact O-CG 3.24Å; M245-L249 WeakPolarHBondContact O-CG 3.43Å; M245-L249 PolarHBondContact O-N 3.23Å
246L98.7Very high98.4Very high85 Ų8567.5 Ų67.545%0.44533%0.329SS..Hα-helixtrans-61.6-34.2177.9-70173.3000111.9L39 F43 F242 K243 L249 H250L39-L246 HydrophobicContact CD1-CD2 4.08Å; F43-L246 HydrophobicContact CE2-CD2 4.16Å; F43-L246 HydrophobicContact CZ-CD2 4.27Å; F242-L246 WeakPolarHBondContact O-CB 3.49Å; F242-L246 VanDerWaalsContact O-CG 3.27Å; F242-L246 WeakPolarHBondContact O-CG 3.3Å; F242-L246 PolarHBondContact O-N 2.76Å; K243-L246 PolarHBondContact O-N 2.79Å; L246-L249 HydrophobicContact CD2-CD1 4.22Å; L246-H250 WeakPolarHBondContact O-CB 3.5Å; L246-H250 PolarHBondContact O-N 3.15Å
247L98.6Very high98.3Very high89 Ų8963.6 Ų63.647%0.46633%0.328SS..Hα-helixtrans-67.8-41172.5-71.5168.7000112.4K243 D244 M245 H250 Q251K243-L247 HydrophobicContact CG-CD1 4.39Å; K243-L247 WeakPolarHBondContact O-CG 3.27Å; K243-L247 PolarHBondContact O-N 3.24Å; K243-L247 VanDerWaalsContact O-N 3.1Å; D244-L247 PolarHBondContact O-N 2.9Å; M245-L247 PolarHBondContact O-N 3.21Å; L247-H250 WeakPolarHBondContact O-CB 3.28Å; L247-H250 PolarHBondContact O-N 3Å; L247-Q251 WeakPolarHBondContact O-CG 3.39Å; L247-Q251 PolarHBondContact O-N 2.73Å
248T98.5Very high98.2Very high17 Ų1759.4 Ų59.410%0.10431%0.311CS..Hα-helixtrans-64-45.4175.7-57.50000110.9D106 R109 D244 M245 H250 Q251 H252D106-T248 WeakPolarHBondContact OD1-CG2 3.37Å; R109-T248 PolarHBondContact NH1-OG1 2.84Å; R109-T248 VanDerWaalsContact NH1-OG1 3.09Å; D244-T248 PolarHBondContact O-N 3.1Å; D244-T248 PolarHBondContact O-OG1 3.17Å; D244-T248 VanDerWaalsContact O-OG1 3.05Å; M245-T248 HydrophobicContact CE-CG2 4.4Å; M245-T248 WeakPolarHBondContact O-CB 3.34Å; M245-T248 PolarHBondContact O-N 3.31Å; M245-T248 VanDerWaalsContact O-N 3.1Å; T248-H250 VanDerWaalsContact C-N 3.31Å; T248-H250 PolarHBondContact O-N 2.97Å; T248-Q251 WeakPolarHBondContact O-CB 2.93Å; T248-Q251 PolarHBondContact O-N 2.99Å; T248-Q251 VanDerWaalsContact O-N 3.12Å; T248-H252 PolarHBondContact O-N 2.94Å
249L98.5Very high98.1Very high5 Ų565.6 Ų65.63%0.02634%0.341CS..Hα-helixtrans-59.4-42.7176.6-71.1160.5000111.3L39 F43 L102 D106 M245 L246 H252 L253L39-L249 HydrophobicContact CD1-CD1 4.49Å; F43-L249 HydrophobicContact CB-CD2 4.1Å; F43-L249 HydrophobicContact CD1-CB 4.41Å; F43-L249 HydrophobicContact CD1-CD1 4.23Å; F43-L249 HydrophobicContact CD1-CD2 3.66Å; F43-L249 HydrophobicContact CD1-CG 4.32Å; F43-L249 HydrophobicContact CD2-CD1 3.66Å; F43-L249 HydrophobicContact CD2-CD2 4.23Å; F43-L249 HydrophobicContact CE1-CB 4Å; F43-L249 HydrophobicContact CE1-CD1 4.08Å; F43-L249 HydrophobicContact CE1-CD2 4.11Å; F43-L249 HydrophobicContact CE1-CG 4.29Å; F43-L249 HydrophobicContact CE2-CD1 3.53Å; F43-L249 HydrophobicContact CG-CD1 4.02Å; F43-L249 HydrophobicContact CG-CD2 3.71Å; F43-L249 HydrophobicContact CG-CG 4.43Å; F43-L249 HydrophobicContact CZ-CB 4.24Å; F43-L249 HydrophobicContact CZ-CD1 3.74Å; F43-L249 HydrophobicContact CZ-CG 4.41Å; L102-L249 HydrophobicContact CD2-CD2 3.51Å; D106-L249 HydrophobicContact CB-CD2 3.8Å; D106-L249 WeakPolarHBondContact OD2-CD2 3.4Å; M245-L249 HydrophobicContact CE-CD1 4.39Å; M245-L249 HydrophobicContact CE-CG 4.14Å; M245-L249 WeakPolarHBondContact O-CB 3.33Å; M245-L249 WeakPolarHBondContact O-CD1 3.46Å; M245-L249 VanDerWaalsContact O-CG 3.24Å; M245-L249 WeakPolarHBondContact O-CG 3.43Å; M245-L249 PolarHBondContact O-N 3.23Å; L246-L249 HydrophobicContact CD2-CD1 4.22Å; L249-H252 PolarHBondContact O-N 3.03Å; L249-L253 WeakPolarHBondContact O-CB 3.37Å; L249-L253 WeakPolarHBondContact O-CD1 3.25Å; L249-L253 VanDerWaalsContact O-CG 3.25Å; L249-L253 WeakPolarHBondContact O-CG 3.46Å; L249-L253 PolarHBondContact O-N 3.39Å; L249-L253 VanDerWaalsContact O-N 3.1Å
250H98.5Very high98.1Very high117 Ų11766 Ų6654%0.54234%0.339SS..Hα-helixtrans-58.4-50.1172167.1-81.2000111.8L246 L247 T248 H252 L253 D254L246-H250 WeakPolarHBondContact O-CB 3.5Å; L246-H250 PolarHBondContact O-N 3.15Å; L247-H250 WeakPolarHBondContact O-CB 3.28Å; L247-H250 PolarHBondContact O-N 3Å; T248-H250 VanDerWaalsContact C-N 3.31Å; T248-H250 PolarHBondContact O-N 2.97Å; H250-H252 VanDerWaalsContact C-N 3.28Å; H250-H252 PolarHBondContact O-N 3.35Å; H250-L253 PolarHBondContact O-N 2.94Å; H250-L253 VanDerWaalsContact O-N 3.11Å; H250-D254 WeakPolarHBondContact O-CB 3.08Å; H250-D254 PolarHBondContact O-N 2.92Å
251Q98.1Very high98.1Very high125 Ų12564.1 Ų64.158%0.58433%0.327SS*.Hα-helixtrans-60.2-36.8179.7-72.7170.3-7.900112.7L247 T248 L253L247-Q251 WeakPolarHBondContact O-CG 3.39Å; L247-Q251 PolarHBondContact O-N 2.73Å; T248-Q251 WeakPolarHBondContact O-CB 2.93Å; T248-Q251 PolarHBondContact O-N 2.99Å; T248-Q251 VanDerWaalsContact O-N 3.12Å; Q251-L253 VanDerWaalsContact C-N 3.34Å
252H98.2Very high98Very high32 Ų3267.6 Ų67.615%0.14834%0.344CS..Hα-helixtrans-71.9-28.6176.9-69169000113.3V98 K101 D106 T248 L249 H250V98-H252 WeakPolarHBondContact CG2-O 3.21Å; K101-H252 HydrophobicContact CB-CB 4.22Å; K101-H252 HydrophobicContact CD-CB 4.15Å; D106-H252 VanDerWaalsContact CG-ND1 3.31Å; D106-H252 IonicContact OD1-CE1 2.92Å; D106-H252 PolarHBondContact OD1-CE1 2.98Å; D106-H252 IonicContact OD1-ND1 3.75Å; D106-H252 PolarHBondContact OD1-ND1 3.25Å; D106-H252 VanDerWaalsContact OD1-ND1 3.14Å; D106-H252 IonicContact OD2-CE1 3.66Å; D106-H252 IonicContact OD2-CG 2.73Å; D106-H252 IonicContact OD2-ND1 3.76Å; D106-H252 PolarHBondContact OD2-ND1 3.46Å; T248-H252 PolarHBondContact O-N 2.94Å; L249-H252 PolarHBondContact O-N 3.03Å; H250-H252 VanDerWaalsContact C-N 3.28Å; H250-H252 PolarHBondContact O-N 3.35Å
253L98.5Very high98Very high40 Ų4069.6 Ų69.621%0.20935%0.354CS..Hα-helixtrans-83.6-23.4177.1-73.7170.7000113.3F43 R46 V98 L102 L249 H250 Q251 L255F43-L253 HydrophobicContact CE1-CD1 4.24Å; R46-L253 HydrophobicContact CG-CD2 4.31Å; R46-L253 VanDerWaalsContact CZ-CD2 3.45Å; V98-L253 HydrophobicContact CG1-CD2 3.77Å; L102-L253 HydrophobicContact CD1-CD2 3.86Å; L102-L253 HydrophobicContact CD2-CG 4.4Å; L249-L253 WeakPolarHBondContact O-CB 3.37Å; L249-L253 WeakPolarHBondContact O-CD1 3.25Å; L249-L253 VanDerWaalsContact O-CG 3.25Å; L249-L253 WeakPolarHBondContact O-CG 3.46Å; L249-L253 PolarHBondContact O-N 3.39Å; L249-L253 VanDerWaalsContact O-N 3.1Å; H250-L253 PolarHBondContact O-N 2.94Å; H250-L253 VanDerWaalsContact O-N 3.11Å; Q251-L253 VanDerWaalsContact C-N 3.34Å; L253-L255 PolarHBondContact O-N 3.48Å
254D98.4Very high97.9Very high46 Ų4663.1 Ų63.125%0.24633%0.325CS..  trans-77.590.7-175.8178.627.5000112.2H250 S256 S257H250-D254 WeakPolarHBondContact O-CB 3.08Å; H250-D254 PolarHBondContact O-N 2.92Å; D254-S256 VanDerWaalsContact C-N 3.26Å; D254-S256 PolarHBondContact O-N 2.95Å; D254-S256 VanDerWaalsContact OD1-CB 3.27Å; D254-S256 WeakPolarHBondContact OD1-CB 3.46Å; D254-S256 PolarHBondContact OD1-N 3.37Å; D254-S256 PolarHBondContact OD1-OG 2.99Å; D254-S257 PolarHBondContact O-OG 3.29Å; D254-S257 WeakPolarHBondContact OD2-CB 3.36Å; D254-S257 PolarHBondContact OD2-OG 2.97Å
255L98Very high97.9Very high29 Ų2964 Ų6415%0.15233%0.327CS..G310 helixtrans-75.2-13.1171.7-64-179.1000113.2L94 V98 L253 S257 S258 F261L94-L255 HydrophobicContact CB-CD2 4.34Å; V98-L255 HydrophobicContact CG2-CD2 3.89Å; V98-L255 HydrophobicContact CG2-CG 4.46Å; L253-L255 PolarHBondContact O-N 3.48Å; L255-S257 PolarHBondContact O-N 2.95Å; L255-S258 VanDerWaalsContact O-CB 3.31Å; L255-S258 WeakPolarHBondContact O-CB 3.25Å; L255-S258 PolarHBondContact O-N 3.42Å; L255-F261 HydrophobicContact CB-CD2 4.11Å; L255-F261 HydrophobicContact CB-CG 4.2Å; L255-F261 HydrophobicContact CD1-CD2 4.36Å; L255-F261 WeakPolarHBondContact O-CB 3.17Å
256S97.4Very high97.9Very high80 Ų8069.2 Ų69.256%0.55935%0.347SS*.G310 helixtrans-70.5-20.8-177.979.30000113D254 H262D254-S256 VanDerWaalsContact C-N 3.26Å; D254-S256 PolarHBondContact O-N 2.95Å; D254-S256 VanDerWaalsContact OD1-CB 3.27Å; D254-S256 WeakPolarHBondContact OD1-CB 3.46Å; D254-S256 PolarHBondContact OD1-N 3.37Å; D254-S256 PolarHBondContact OD1-OG 2.99Å; S256-H262 PolarHBondContact O-NE2 3.17Å
257S95.2Very high97.9Very high87 Ų8767.8 Ų67.861%0.60834%0.34SS*.G310 helixtrans-92.3-2.9172.252.70000113.8D254 L255D254-S257 PolarHBondContact O-OG 3.29Å; D254-S257 WeakPolarHBondContact OD2-CB 3.36Å; D254-S257 PolarHBondContact OD2-OG 2.97Å; L255-S257 PolarHBondContact O-N 2.95Å
258S95.7Very high97.9Very high29 Ų2964.9 Ų64.920%0.20332%0.324CS..  trans-82120.1-177.7179.20000112.2L255 K260 F261 H262L255-S258 VanDerWaalsContact O-CB 3.31Å; L255-S258 WeakPolarHBondContact O-CB 3.25Å; L255-S258 PolarHBondContact O-N 3.42Å; S258-K260 VanDerWaalsContact C-N 3.31Å; S258-K260 PolarHBondContact O-N 2.85Å; S258-F261 WeakPolarHBondContact O-CB 3.4Å; S258-F261 PolarHBondContact O-N 3.29Å; S258-F261 VanDerWaalsContact O-N 3.12Å; S258-F261 PolarHBondContact OG-N 3.41Å; S258-H262 PolarHBondContact O-CD2 3.4Å; S258-H262 PolarHBondContact O-N 3.23Å
259E97.5Very high97.9Very high154 Ų15469.2 Ų69.272%0.7234%0.343SS*.Hα-helixtrans-60.6-40175.2-175.6174.5-167.300112.1F261 H262 E263E259-F261 PolarHBondContact O-N 3.02Å; E259-H262 PolarHBondContact O-N 3.46Å; E259-H262 VanDerWaalsContact O-N 3.16Å; E259-E263 VanDerWaalsContact O-CB 3.28Å; E259-E263 WeakPolarHBondContact O-CB 3.4Å; E259-E263 PolarHBondContact O-N 3.4Å
260K97.8Very high97.9Very high102 Ų10274 Ų7444%0.44337%0.365SS..Hα-helixtrans-59.1-35.1175.8-65178.3-179.71750112.2L94 E97 S258 L264L94-K260 HydrophobicContact CD1-CB 4.46Å; L94-K260 HydrophobicContact CD2-CB 3.83Å; L94-K260 HydrophobicContact CD2-CD 3.81Å; E97-K260 IonicContact OE1-NZ 3.28Å; E97-K260 PolarHBondContact OE1-NZ 3.12Å; E97-K260 IonicContact OE2-NZ 3.71Å; E97-K260 PolarHBondContact OE2-NZ 3.06Å; S258-K260 VanDerWaalsContact C-N 3.31Å; S258-K260 PolarHBondContact O-N 2.85Å; K260-L264 PolarHBondContact O-N 3.12Å; K260-L264 VanDerWaalsContact O-N 3.12Å
261F98.2Very high97.9Very high50 Ų5069.5 Ų69.522%0.21935%0.351CS..Hα-helixtrans-68.7-44177.2-178-98.5000111L91 L94 L255 S258 E259 L264 H265L91-F261 HydrophobicContact CD1-CD2 3.95Å; L91-F261 HydrophobicContact CD1-CE2 3.72Å; L94-F261 HydrophobicContact CD1-CB 3.93Å; L94-F261 HydrophobicContact CD1-CD2 4.09Å; L255-F261 HydrophobicContact CB-CD2 4.11Å; L255-F261 HydrophobicContact CB-CG 4.2Å; L255-F261 HydrophobicContact CD1-CD2 4.36Å; L255-F261 WeakPolarHBondContact O-CB 3.17Å; S258-F261 WeakPolarHBondContact O-CB 3.4Å; S258-F261 PolarHBondContact O-N 3.29Å; S258-F261 VanDerWaalsContact O-N 3.12Å; S258-F261 PolarHBondContact OG-N 3.41Å; E259-F261 PolarHBondContact O-N 3.02Å; F261-L264 HydrophobicContact CD2-CD2 4.28Å; F261-L264 WeakPolarHBondContact O-CG 3.41Å; F261-H265 AromaticContact CE2-NE2 3.78Å; F261-H265 AromaticContact CZ-NE2 3.56Å; F261-H265 PolarHBondContact O-CD2 3.29Å
262H98.2Very high97.9Very high97 Ų9767 Ų6745%0.44934%0.341SS..Hα-helixtrans-68.1-39.2175-66.2-64000112.7S256 S258 E259 H265 R266S256-H262 PolarHBondContact O-NE2 3.17Å; S258-H262 PolarHBondContact O-CD2 3.4Å; S258-H262 PolarHBondContact O-N 3.23Å; E259-H262 PolarHBondContact O-N 3.46Å; E259-H262 VanDerWaalsContact O-N 3.16Å; H262-H265 PolarHBondContact O-N 3.1Å; H262-R266 PolarHBondContact O-N 3.24Å; H262-R266 VanDerWaalsContact O-N 3.09Å
263E98.3Very high97.9Very high70 Ų7071.6 Ų71.633%0.32736%0.362SS..Hα-helixtrans-61.5-44.9179.3-177.3-176.5-145.900112.1R90 E259 H265 R266 D267R90-E263 VanDerWaalsContact NH2-CG 3.35Å; R90-E263 IonicContact NH2-OE2 3.86Å; R90-E263 PolarHBondContact NH2-OE2 2.95Å; E259-E263 VanDerWaalsContact O-CB 3.28Å; E259-E263 WeakPolarHBondContact O-CB 3.4Å; E259-E263 PolarHBondContact O-N 3.4Å; E263-H265 VanDerWaalsContact C-N 3.26Å; E263-H265 PolarHBondContact O-N 2.95Å; E263-R266 PolarHBondContact O-N 3.29Å; E263-D267 WeakPolarHBondContact O-CB 3.42Å; E263-D267 PolarHBondContact O-N 3.03Å
264L97.3Very high97.9Very high2 Ų273 Ų731%0.0138%0.379CS..Hα-helixtrans-60.4-36.5-179.580.290.5000112.6A87 R90 L91 L94 K260 F261 L268A87-L264 HydrophobicContact CB-CD1 4.05Å; R90-L264 HydrophobicContact CB-CB 4.19Å; L91-L264 HydrophobicContact CB-CD2 4.27Å; L91-L264 HydrophobicContact CD1-CD2 4.43Å; L94-L264 HydrophobicContact CD1-CD2 3.73Å; K260-L264 PolarHBondContact O-N 3.12Å; K260-L264 VanDerWaalsContact O-N 3.12Å; F261-L264 HydrophobicContact CD2-CD2 4.28Å; F261-L264 WeakPolarHBondContact O-CG 3.41Å; L264-L268 WeakPolarHBondContact O-CB 3.37Å; L264-L268 PolarHBondContact O-N 3.36Å
265H98Very high97.8Very high87 Ų8772.6 Ų72.640%0.40338%0.382SS..Hα-helixtrans-75.3-36.1178.7-72.7-65.6000112.1F261 H262 E263 L268 H269F261-H265 AromaticContact CE2-NE2 3.78Å; F261-H265 AromaticContact CZ-NE2 3.56Å; F261-H265 PolarHBondContact O-CD2 3.29Å; H262-H265 PolarHBondContact O-N 3.1Å; E263-H265 VanDerWaalsContact C-N 3.26Å; E263-H265 PolarHBondContact O-N 2.95Å; H265-L268 PolarHBondContact O-N 2.88Å; H265-H269 PolarHBondContact O-N 3.12Å
266R98.5Very high97.9Very high111 Ų11173 Ų7342%0.41939%0.387SS..Hα-helixtrans-64.8-44.1173.3-177.8177.260.9-111.45.7111.5H262 E263 L268 H269 Q270H262-R266 PolarHBondContact O-N 3.24Å; H262-R266 VanDerWaalsContact O-N 3.09Å; E263-R266 PolarHBondContact O-N 3.29Å; R266-L268 VanDerWaalsContact C-N 3.33Å; R266-H269 WeakPolarHBondContact O-CB 3.38Å; R266-H269 PolarHBondContact O-N 2.81Å; R266-Q270 WeakPolarHBondContact O-CG 3.38Å; R266-Q270 PolarHBondContact O-N 3.49Å
267D98.4Very high97.9Very high55 Ų5575.1 Ų75.129%0.29439%0.393SS..Hα-helixtrans-67.5-36.6178.9-64.1-9.6000111.2R90 E263 Q270 G271R90-D267 IonicContact CZ-OD2 3.66Å; R90-D267 IonicContact NH1-OD2 3.24Å; R90-D267 PolarHBondContact NH1-OD2 3.25Å; R90-D267 IonicContact NH2-OD2 3.63Å; R90-D267 PolarHBondContact NH2-OD2 3.4Å; E263-D267 WeakPolarHBondContact O-CB 3.42Å; E263-D267 PolarHBondContact O-N 3.03Å; D267-Q270 PolarHBondContact O-N 3.49Å; D267-G271 PolarHBondContact O-N 3.12Å
268L98.6Very high98.1Very high27 Ų2776.9 Ų76.914%0.14139%0.391CS..Hα-helixtrans-59.1-48.4170.9174.859.9000111.3A83 F84 A87 L264 H265 R266 Q270 G271 I272A83-L268 HydrophobicContact CB-CD1 3.81Å; F84-L268 HydrophobicContact CB-CD1 4.45Å; F84-L268 HydrophobicContact CD1-CD1 4.16Å; F84-L268 HydrophobicContact CD1-CD2 4.25Å; F84-L268 HydrophobicContact CD2-CD1 3.94Å; F84-L268 HydrophobicContact CE1-CD1 4.4Å; F84-L268 HydrophobicContact CE1-CD2 4.28Å; F84-L268 HydrophobicContact CE2-CD1 4.19Å; F84-L268 HydrophobicContact CG-CD1 3.93Å; F84-L268 HydrophobicContact CZ-CD1 4.42Å; A87-L268 HydrophobicContact CB-CB 4.21Å; A87-L268 HydrophobicContact CB-CD1 4.45Å; A87-L268 HydrophobicContact CB-CD2 4.11Å; L264-L268 WeakPolarHBondContact O-CB 3.37Å; L264-L268 PolarHBondContact O-N 3.36Å; H265-L268 PolarHBondContact O-N 2.88Å; R266-L268 VanDerWaalsContact C-N 3.33Å; L268-Q270 PolarHBondContact O-N 3.04Å; L268-G271 PolarHBondContact O-N 3.4Å; L268-I272 HydrophobicContact CD1-CD1 3.9Å; L268-I272 HydrophobicContact CD1-CG1 4.31Å; L268-I272 HydrophobicContact CG-CD1 4Å; L268-I272 VanDerWaalsContact O-CG1 3.31Å; L268-I272 WeakPolarHBondContact O-CG1 3.31Å; L268-I272 PolarHBondContact O-N 3.15Å
269H98.6Very high98.2Very high108 Ų10880.4 Ų80.450%0.541%0.405SS..Hα-helixtrans-58.5-49.4178.2-176.4-92.3000111.7H265 R266 G271 I272 E273H265-H269 PolarHBondContact O-N 3.12Å; R266-H269 WeakPolarHBondContact O-CB 3.38Å; R266-H269 PolarHBondContact O-N 2.81Å; H269-G271 VanDerWaalsContact C-N 3.3Å; H269-G271 PolarHBondContact O-N 3.16Å; H269-I272 PolarHBondContact O-N 3.1Å; H269-I272 VanDerWaalsContact O-N 3.12Å; H269-E273 IonicContact CE1-OE1 2.95Å; H269-E273 PolarHBondContact CE1-OE1 3.24Å; H269-E273 IonicContact CE1-OE2 3.75Å; H269-E273 PolarHBondContact CE1-OE2 3.28Å; H269-E273 VanDerWaalsContact ND1-CD 3.28Å; H269-E273 IonicContact ND1-OE1 2.8Å; H269-E273 IonicContact ND1-OE2 3.59Å; H269-E273 PolarHBondContact ND1-OE2 3.16Å; H269-E273 PolarHBondContact O-N 2.68Å
270Q98.4Very high98.2Very high105 Ų10573.9 Ų73.949%0.49138%0.375SS..Hα-helixtrans-61.8-38.5177.8-70.4177.11.400112.1R266 D267 L268 I272 E273 A274R266-Q270 WeakPolarHBondContact O-CG 3.38Å; R266-Q270 PolarHBondContact O-N 3.49Å; D267-Q270 PolarHBondContact O-N 3.49Å; L268-Q270 PolarHBondContact O-N 3.04Å; Q270-I272 VanDerWaalsContact C-N 3.28Å; Q270-I272 PolarHBondContact O-N 2.92Å; Q270-E273 PolarHBondContact O-N 2.76Å; Q270-A274 WeakPolarHBondContact O-CB 3.39Å; Q270-A274 PolarHBondContact O-N 3.14Å
271G97.8Very high98.3Very high23 Ų2374.5 Ų74.524%0.23738%0.382CS..Hα-helixtrans-62.7-33.7175.400000113.1A80 D267 L268 H269A80-G271 WeakPolarHBondContact CB-O 3.41Å; D267-G271 PolarHBondContact O-N 3.12Å; L268-G271 PolarHBondContact O-N 3.4Å; H269-G271 VanDerWaalsContact C-N 3.3Å; H269-G271 PolarHBondContact O-N 3.16Å
272I98.4Very high98.3Very high73 Ų7378.1 Ų78.137%0.37439%0.394SS..Hα-helixtrans-76.2-45175.5-63.5162.3000111F84 L268 H269 Q270 A274 A275F84-I272 HydrophobicContact CE2-CD1 3.65Å; F84-I272 HydrophobicContact CE2-CG1 4Å; F84-I272 HydrophobicContact CZ-CD1 3.66Å; L268-I272 HydrophobicContact CD1-CD1 3.9Å; L268-I272 HydrophobicContact CD1-CG1 4.31Å; L268-I272 HydrophobicContact CG-CD1 4Å; L268-I272 VanDerWaalsContact O-CG1 3.31Å; L268-I272 WeakPolarHBondContact O-CG1 3.31Å; L268-I272 PolarHBondContact O-N 3.15Å; H269-I272 PolarHBondContact O-N 3.1Å; H269-I272 VanDerWaalsContact O-N 3.12Å; Q270-I272 VanDerWaalsContact C-N 3.28Å; Q270-I272 PolarHBondContact O-N 2.92Å; I272-A274 PolarHBondContact O-N 3.09Å; I272-A275 VanDerWaalsContact O-CB 3.31Å; I272-A275 WeakPolarHBondContact O-CB 3.47Å; I272-A275 PolarHBondContact O-N 3.18Å; I272-A275 VanDerWaalsContact O-N 3.09Å
273E98.3Very high98.3Very high129 Ų12979.1 Ų79.160%0.60339%0.394SS*.Hα-helixtrans-61.8-27.2177.7-74.1-176.7129.300113.1H269 Q270 A275H269-E273 IonicContact CE1-OE1 2.95Å; H269-E273 PolarHBondContact CE1-OE1 3.24Å; H269-E273 IonicContact CE1-OE2 3.75Å; H269-E273 PolarHBondContact CE1-OE2 3.28Å; H269-E273 VanDerWaalsContact ND1-CD 3.28Å; H269-E273 IonicContact ND1-OE1 2.8Å; H269-E273 IonicContact ND1-OE2 3.59Å; H269-E273 PolarHBondContact ND1-OE2 3.16Å; H269-E273 PolarHBondContact O-N 2.68Å; Q270-E273 PolarHBondContact O-N 2.76Å; E273-A275 PolarHBondContact O-N 3.1Å
274A98.1Very high98.3Very high68 Ų6881.2 Ų81.256%0.56240%0.399SS*.THydrogen-bonded Turntrans-72.7-7.5176.600000114.1Q270 I272 S276Q270-A274 WeakPolarHBondContact O-CB 3.39Å; Q270-A274 PolarHBondContact O-N 3.14Å; I272-A274 PolarHBondContact O-N 3.09Å; A274-S276 PolarHBondContact O-N 3.31Å
275A98.3Very high98.3Very high38 Ų3888.4 Ų88.431%0.31443%0.426SS..  trans-66.5124174.300000110.6A80 I272 E273A80-A275 HydrophobicContact CB-CB 4.01Å; I272-A275 VanDerWaalsContact O-CB 3.31Å; I272-A275 WeakPolarHBondContact O-CB 3.47Å; I272-A275 PolarHBondContact O-N 3.18Å; I272-A275 VanDerWaalsContact O-N 3.09Å; E273-A275 PolarHBondContact O-N 3.1Å
276S98.5Very high98.3Very high37 Ų3787.8 Ų87.826%0.25943%0.432SS..  trans-122.1109.9-179.8-178.60000110.3T76 A274 E278 E279 D280T76-S276 PolarHBondContact OG1-N 2.84Å; T76-S276 PolarHBondContact OG1-O 3.09Å; A274-S276 PolarHBondContact O-N 3.31Å; S276-E278 VanDerWaalsContact C-N 3.27Å; S276-E278 PolarHBondContact O-N 3.26Å; S276-E279 PolarHBondContact O-N 3.46Å; S276-E279 PolarHBondContact OG-N 3.44Å; S276-D280 PolarHBondContact O-N 2.89Å; S276-D280 VanDerWaalsContact O-N 3.09Å
277D98.2Very high98.2Very high126 Ų12685 Ų8567%0.67443%0.427SS*.Hα-helixtrans-58.8-40.7171.963.1-35.4000111.5E279 D280 L281D277-E279 PolarHBondContact O-N 3.43Å; D277-D280 PolarHBondContact O-N 3.33Å; D277-L281 VanDerWaalsContact O-CB 3.29Å; D277-L281 WeakPolarHBondContact O-CB 3.45Å; D277-L281 WeakPolarHBondContact O-CG 3.38Å; D277-L281 PolarHBondContact O-N 3Å
278E98.4Very high98.1Very high123 Ų12387.4 Ų87.458%0.57544%0.436SS*.Hα-helixtrans-63.3-42.9178.5-158.4-168.7160.400112.1S276 R282S276-E278 VanDerWaalsContact C-N 3.27Å; S276-E278 PolarHBondContact O-N 3.26Å; E278-R282 WeakPolarHBondContact O-CB 3.29Å; E278-R282 PolarHBondContact O-N 3.11Å; E278-R282 IonicContact OE1-CZ 3.38Å; E278-R282 IonicContact OE1-NH2 3.15Å; E278-R282 PolarHBondContact OE1-NH2 3.05Å; E278-R282 IonicContact OE2-NH2 2.75Å
279E98.1Very high98Very high104 Ų10487.1 Ų87.149%0.48644%0.44SS..Hα-helixtrans-67.3-43.2179.5-151.9172-141.700111.6T76 S276 D277 R282 W283T76-E279 HydrophobicContact CG2-CB 4.47Å; T76-E279 VanDerWaalsContact CG2-OE2 3.27Å; T76-E279 WeakPolarHBondContact CG2-OE2 3.45Å; S276-E279 PolarHBondContact O-N 3.46Å; S276-E279 PolarHBondContact OG-N 3.44Å; D277-E279 PolarHBondContact O-N 3.43Å; E279-R282 PolarHBondContact O-N 2.77Å; E279-W283 WeakPolarHBondContact O-CB 3.4Å; E279-W283 PolarHBondContact O-N 3.37Å
280D98.4Very high97.9Very high17 Ų1787.5 Ų87.59%0.09145%0.452CS..Hα-helixtrans-66.6-43.2179.1-71.75.1000112Y74 T76 L77 S276 D277 W283 W284Y74-D280 HydrophobicContact CE2-CB 4.49Å; T76-D280 WeakPolarHBondContact CB-OD1 3.34Å; T76-D280 WeakPolarHBondContact CG2-OD1 3.31Å; T76-D280 PolarHBondContact N-OD1 3.41Å; T76-D280 PolarHBondContact N-OD2 3.49Å; T76-D280 PolarHBondContact OG1-OD1 3.13Å; T76-D280 PolarHBondContact OG1-OD2 3.13Å; L77-D280 PolarHBondContact N-OD2 3.41Å; L77-D280 VanDerWaalsContact N-OD2 3.09Å; S276-D280 PolarHBondContact O-N 2.89Å; S276-D280 VanDerWaalsContact O-N 3.09Å; D277-D280 PolarHBondContact O-N 3.33Å; D280-W283 PolarHBondContact O-N 3.36Å; D280-W284 PolarHBondContact O-N 3.14Å
281L98.5Very high97.7Very high114 Ų11484.8 Ų84.860%0.59745%0.452SS*.Hα-helixtrans-68-36.4176.2-70.6174000112D277 W284 R285D277-L281 VanDerWaalsContact O-CB 3.29Å; D277-L281 WeakPolarHBondContact O-CB 3.45Å; D277-L281 WeakPolarHBondContact O-CG 3.38Å; D277-L281 PolarHBondContact O-N 3Å; L281-W284 PolarHBondContact O-N 3.22Å; L281-R285 WeakPolarHBondContact O-CB 3.48Å; L281-R285 PolarHBondContact O-N 3.15Å
282R98.4Very high97.7Very high126 Ų12688.7 Ų88.748%0.47547%0.465SS..Hα-helixtrans-65.6-44.4175.7-169.3-174.3-55.8117.4-3.6110.9E278 E279 R285 S286E278-R282 WeakPolarHBondContact O-CB 3.29Å; E278-R282 PolarHBondContact O-N 3.11Å; E278-R282 IonicContact OE1-CZ 3.38Å; E278-R282 IonicContact OE1-NH2 3.15Å; E278-R282 PolarHBondContact OE1-NH2 3.05Å; E278-R282 IonicContact OE2-NH2 2.75Å; E279-R282 PolarHBondContact O-N 2.77Å; R282-R285 PolarHBondContact O-N 3.3Å; R282-S286 PolarHBondContact O-N 3.31Å; R282-S286 VanDerWaalsContact O-N 3.12Å
283W98.3Very high97.5Very high119 Ų11990 Ų9045%0.45149%0.487SS..Hα-helixtrans-59.3-4917418086.3000111.2Y74 E279 D280 R285 S286 T287Y74-W283 HydrophobicContact CD1-CZ3 4.4Å; Y74-W283 AromaticContact CD2-CE3 3.52Å; Y74-W283 HydrophobicContact CD2-CE3 3.52Å; Y74-W283 HydrophobicContact CD2-CH2 4.45Å; Y74-W283 AromaticContact CD2-CZ3 3.43Å; Y74-W283 HydrophobicContact CD2-CZ3 3.43Å; Y74-W283 VanDerWaalsContact CD2-CZ3 3.43Å; Y74-W283 AromaticContact CE2-CE3 3.63Å; Y74-W283 HydrophobicContact CE2-CE3 3.63Å; Y74-W283 AromaticContact CE2-CZ3 3.75Å; Y74-W283 HydrophobicContact CE2-CZ3 3.75Å; Y74-W283 HydrophobicContact CG-CE3 4.36Å; Y74-W283 AromaticContact CG-CZ3 3.81Å; Y74-W283 HydrophobicContact CG-CZ3 3.81Å; E279-W283 WeakPolarHBondContact O-CB 3.4Å; E279-W283 PolarHBondContact O-N 3.37Å; D280-W283 PolarHBondContact O-N 3.36Å; W283-R285 PolarHBondContact O-N 2.99Å; W283-S286 PolarHBondContact O-N 3.23Å; W283-S286 VanDerWaalsContact O-N 3.14Å; W283-T287 HydrophobicContact CH2-CG2 4.23Å; W283-T287 HydrophobicContact CZ2-CG2 3.95Å; W283-T287 WeakPolarHBondContact O-CB 3.48Å; W283-T287 PolarHBondContact O-N 2.91Å; W283-T287 PolarHBondContact O-OG1 2.87Å
284W98.2Very high97.2Very high113 Ų11388.9 Ų88.943%0.42848%0.483SS..Hα-helixtrans-61.2-44179.4-171.4-89.6000112.7Y74 D280 L281 S286 T287 H288 G289Y74-W284 HydrophobicContact CD1-CE3 4.12Å; Y74-W284 AromaticContact CD1-CZ3 3.85Å; Y74-W284 HydrophobicContact CD1-CZ3 3.85Å; Y74-W284 HydrophobicContact CE1-CD2 4.35Å; Y74-W284 AromaticContact CE1-CE3 3.3Å; Y74-W284 HydrophobicContact CE1-CE3 3.3Å; Y74-W284 HydrophobicContact CE1-CH2 4.25Å; Y74-W284 AromaticContact CE1-CZ3 3.22Å; Y74-W284 HydrophobicContact CE1-CZ3 3.22Å; Y74-W284 HydrophobicContact CE2-CB 4.45Å; Y74-W284 AromaticContact CE2-CE3 3.84Å; Y74-W284 HydrophobicContact CE2-CE3 3.84Å; Y74-W284 AromaticContact CZ-CD2 3.93Å; Y74-W284 AromaticContact CZ-CE3 3.14Å; Y74-W284 AromaticContact CZ-CZ3 3.64Å; D280-W284 PolarHBondContact O-N 3.14Å; L281-W284 PolarHBondContact O-N 3.22Å; W284-S286 PolarHBondContact O-N 3.46Å; W284-T287 PolarHBondContact O-N 3.01Å; W284-H288 HydrophobicContact CD2-CB 4.12Å; W284-H288 AromaticContact CD2-CD2 3.99Å; W284-H288 AromaticContact CE3-CD2 3.62Å; W284-H288 HydrophobicContact CG-CB 4.48Å; W284-H288 HydrophobicContact CZ2-CB 4.17Å; W284-H288 AromaticContact CZ3-CD2 3.66Å; W284-H288 WeakPolarHBondContact O-CA 3.41Å; W284-H288 PolarHBondContact O-N 2.8Å; W284-G289 PolarHBondContact O-N 3.26Å
285R98Very high96.9Very high154 Ų15493 Ų9358%0.58150%0.496SS*.Hα-helixtrans-57.8-38.9176.4177.9-178.5-67.4-84.9-0111.9L281 R282 W283 G289 G291L281-R285 WeakPolarHBondContact O-CB 3.48Å; L281-R285 PolarHBondContact O-N 3.15Å; R282-R285 PolarHBondContact O-N 3.3Å; W283-R285 PolarHBondContact O-N 2.99Å; R285-G289 CarbonylContact O-C 3.12Å; R285-G289 VanDerWaalsContact O-CA 3.23Å; R285-G289 WeakPolarHBondContact O-CA 3.46Å; R285-G289 PolarHBondContact O-N 3.09Å; R285-G291 WeakPolarHBondContact O-CA 3.39Å; R285-G291 PolarHBondContact O-N 3.26Å
286S97.5Very high96.5Very high73 Ų73100.3 Ų100.351%0.5152%0.516SS..Hα-helixtrans-74.8-39.3179.8-172.10000112.8R282 W283 W284 M292R282-S286 PolarHBondContact O-N 3.31Å; R282-S286 VanDerWaalsContact O-N 3.12Å; W283-S286 PolarHBondContact O-N 3.23Å; W283-S286 VanDerWaalsContact O-N 3.14Å; W284-S286 PolarHBondContact O-N 3.46Å; S286-M292 WeakPolarHBondContact O-CG 3.46Å
287T97.1Very high96.2Very high53 Ų53104.2 Ų104.233%0.32554%0.54SS..Hα-helixtrans-91.1-35.1-170.9-520000113.5W283 W284 M292W283-T287 HydrophobicContact CH2-CG2 4.23Å; W283-T287 HydrophobicContact CZ2-CG2 3.95Å; W283-T287 WeakPolarHBondContact O-CB 3.48Å; W283-T287 PolarHBondContact O-N 2.91Å; W283-T287 PolarHBondContact O-OG1 2.87Å; W284-T287 PolarHBondContact O-N 3.01Å; T287-M292 WeakPolarHBondContact O-CE 3.32Å; T287-M292 WeakPolarHBondContact O-CG 3.44Å
288H96.6Very high95.7Very high106 Ų106106.1 Ų106.149%0.49155%0.545SS..Hα-helixtrans-130.12-172.6-65.9-61.7000113.6W284 M292W284-H288 HydrophobicContact CD2-CB 4.12Å; W284-H288 AromaticContact CD2-CD2 3.99Å; W284-H288 AromaticContact CE3-CD2 3.62Å; W284-H288 HydrophobicContact CG-CB 4.48Å; W284-H288 HydrophobicContact CZ2-CB 4.17Å; W284-H288 AromaticContact CZ3-CD2 3.66Å; W284-H288 WeakPolarHBondContact O-CA 3.41Å; W284-H288 PolarHBondContact O-N 2.8Å; H288-M292 VanDerWaalsContact CA-SD 3.56Å
289G95.6Very high95.2Very high20 Ų20108.7 Ų108.721%0.20655%0.554CS.*SBendtrans-125.2-160.9-171.500000114.2W284 R285 G291 M292W284-G289 PolarHBondContact O-N 3.26Å; R285-G289 CarbonylContact O-C 3.12Å; R285-G289 VanDerWaalsContact O-CA 3.23Å; R285-G289 WeakPolarHBondContact O-CA 3.46Å; R285-G289 PolarHBondContact O-N 3.09Å; G289-G291 PolarHBondContact O-N 3.41Å; G289-M292 WeakPolarHBondContact O-CB 3.4Å; G289-M292 WeakPolarHBondContact O-CG 3.49Å; G289-M292 PolarHBondContact O-N 3.12Å
290P96.3Very high94.5Very high116 Ų116111.2 Ų111.275%0.75357%0.566SS**THydrogen-bonded Turntrans-60.6-10-178-26.234.9000116.2M292P290-M292 VanDerWaalsContact C-N 3.35Å
291G95Very high93.7Very high48 Ų48117.9 Ų117.950%0.49560%0.597SS.*THydrogen-bonded Turntrans-82.7-10.2174.600000114R285 G289R285-G291 WeakPolarHBondContact O-CA 3.39Å; R285-G291 PolarHBondContact O-N 3.26Å; G289-G291 PolarHBondContact O-N 3.41Å
292M96.5Very high92.8Very high105 Ų105120.7 Ų120.752%0.51760%0.6SS.*SBendtrans-63.7141.1173.4-65.3176.377.500110.3S286 T287 H288 G289 P290 M294S286-M292 WeakPolarHBondContact O-CG 3.46Å; T287-M292 WeakPolarHBondContact O-CE 3.32Å; T287-M292 WeakPolarHBondContact O-CG 3.44Å; H288-M292 VanDerWaalsContact CA-SD 3.56Å; G289-M292 WeakPolarHBondContact O-CB 3.4Å; G289-M292 WeakPolarHBondContact O-CG 3.49Å; G289-M292 PolarHBondContact O-N 3.12Å; P290-M292 VanDerWaalsContact C-N 3.35Å; M292-M294 PolarHBondContact O-N 3.05Å
293A94.4Very high91.6Very high102 Ų102117.1 Ų117.184%0.84359%0.594SS**  trans-61.5129.9173.500000110.1
294M93.1Very high89.9Confident105 Ų105117.5 Ų117.552%0.51760%0.604SS.*  trans-119.9120.7172.4177.957.3-173.700108.9M292 W296M292-M294 PolarHBondContact O-N 3.05Å; M294-W296 VanDerWaalsContact C-N 3.27Å; M294-W296 HydrophobicContact CB-CD2 4.39Å; M294-W296 HydrophobicContact CB-CZ2 4.1Å; M294-W296 HydrophobicContact CE-CE3 4.27Å; M294-W296 HydrophobicContact CG-CD2 3.61Å; M294-W296 HydrophobicContact CG-CE3 3.91Å; M294-W296 HydrophobicContact CG-CG 4.09Å; M294-W296 HydrophobicContact CG-CH2 4.1Å; M294-W296 HydrophobicContact CG-CZ2 3.81Å; M294-W296 HydrophobicContact CG-CZ3 4.15Å; M294-W296 PolarHBondContact O-N 3.26Å
295N92.2Very high88.2Confident155 Ų155117.8 Ų117.883%0.82961%0.614SS**  trans-79.283.4168.8-66.7-28.4000107.8
296W90.3Very high86.3Confident191 Ų191114.6 Ų114.672%0.72361%0.612SS**  trans-57.5138.4176.4-63.6103.5000109.8M294 Q298M294-W296 VanDerWaalsContact C-N 3.27Å; M294-W296 HydrophobicContact CB-CD2 4.39Å; M294-W296 HydrophobicContact CB-CZ2 4.1Å; M294-W296 HydrophobicContact CE-CE3 4.27Å; M294-W296 HydrophobicContact CG-CD2 3.61Å; M294-W296 HydrophobicContact CG-CE3 3.91Å; M294-W296 HydrophobicContact CG-CG 4.09Å; M294-W296 HydrophobicContact CG-CH2 4.1Å; M294-W296 HydrophobicContact CG-CZ2 3.81Å; M294-W296 HydrophobicContact CG-CZ3 4.15Å; M294-W296 PolarHBondContact O-N 3.26Å; W296-Q298 PolarHBondContact O-N 2.88Å; W296-Q298 VanDerWaalsContact O-N 3.12Å
297P91Very high84.2Confident118 Ų118116.7 Ų116.777%0.76661%0.613SS**  trans-52.6122.5179-2734.6000111
298Q87.4Confident82.1Confident166 Ų166123.6 Ų123.678%0.77663%0.634SS**  trans-108.4166.5172.2-66.6-172.9-5.500108.8W296 E300W296-Q298 PolarHBondContact O-N 2.88Å; W296-Q298 VanDerWaalsContact O-N 3.12Å; Q298-E300 PolarHBondContact O-N 3.39Å; Q298-E300 VanDerWaalsContact O-N 3.15Å
299F87.8Confident79.6Confident178 Ų178124.2 Ų124.278%0.78165%0.645SS**PPolyproline II helixtrans-60.4121.2171.2176.9-99.5000109.3E301F299-E301 HydrophobicContact CD1-CG 4.32Å; F299-E301 HydrophobicContact CE1-CB 4.31Å; F299-E301 HydrophobicContact CE1-CG 3.59Å; F299-E301 HydrophobicContact CZ-CG 4.49Å
300E84.8Confident77.4Confident156 Ų156131.1 Ų131.173%0.72968%0.675SS**PPolyproline II helixtrans-97.5118.1172.5-67.5174.4-153.800107.5Q298 W302Q298-E300 PolarHBondContact O-N 3.39Å; Q298-E300 VanDerWaalsContact O-N 3.15Å; E300-W302 PolarHBondContact O-N 3.5Å
301E81.3Confident75Confident158 Ų158130.5 Ų130.574%0.73867%0.674SS**PPolyproline II helixtrans-60.6124.6176.4-94.3-172.2167.600109.9F299 S303F299-E301 HydrophobicContact CD1-CG 4.32Å; F299-E301 HydrophobicContact CE1-CB 4.31Å; F299-E301 HydrophobicContact CE1-CG 3.59Å; F299-E301 HydrophobicContact CZ-CG 4.49Å; E301-S303 PolarHBondContact O-N 3.48Å; E301-S303 VanDerWaalsContact O-N 3.13Å
302W78.5Confident72.4Confident173 Ų173138.4 Ų138.466%0.65569%0.689SS**PPolyproline II helixtrans-59.2120171.9-178.287.1000109.2E300 L304E300-W302 PolarHBondContact O-N 3.5Å; W302-L304 HydrophobicContact CH2-CD1 4.49Å; W302-L304 HydrophobicContact CH2-CG 3.98Å
303S73Confident69.7Low50 Ų50143.3 Ų143.335%0.3571%0.707SS.*  trans-129.3150.3172.167.40000110E301 D305 T306E301-S303 PolarHBondContact O-N 3.48Å; E301-S303 VanDerWaalsContact O-N 3.13Å; S303-D305 PolarHBondContact O-N 2.67Å; S303-T306 PolarHBondContact N-OG1 2.86Å; S303-T306 PolarHBondContact O-N 3.28Å; S303-T306 PolarHBondContact O-OG1 3.17Å
304L62.4Low67.3Low128 Ų128145.4 Ų145.467%0.6770%0.7SS**G310 helixtrans-57.1-22.1174.3-86.5141.8000112.7W302 Q307W302-L304 HydrophobicContact CH2-CD1 4.49Å; W302-L304 HydrophobicContact CH2-CG 3.98Å; L304-Q307 PolarHBondContact O-N 3.24Å
305D63.4Low64.9Low118 Ų118150.5 Ų150.563%0.63172%0.719SS**G310 helixtrans-71-26.4173.1-81.1-36.8000113.5S303 Q307 R308S303-D305 PolarHBondContact O-N 2.67Å; D305-Q307 PolarHBondContact O-N 3.02Å; D305-R308 PolarHBondContact O-N 3.4Å; D305-R308 IonicContact OD1-NH2 3.96Å
306T58.6Low62.3Low88 Ų88145.5 Ų145.554%0.5470%0.704SS.*G310 helixtrans-72.9-6.2173.1550000114S303 R308S303-T306 PolarHBondContact N-OG1 2.86Å; S303-T306 PolarHBondContact O-N 3.28Å; S303-T306 PolarHBondContact O-OG1 3.17Å; T306-R308 VanDerWaalsContact C-N 3.35Å
307Q54.1Low59.7Low116 Ų116140.9 Ų140.954%0.54272%0.716SS.*G310 helixtrans-87.86.9174.5-72-168.3-17.800114.5L304 D305 T309L304-Q307 PolarHBondContact O-N 3.24Å; D305-Q307 PolarHBondContact O-N 3.02Å; Q307-T309 PolarHBondContact O-N 2.92Å; Q307-T309 PolarHBondContact O-OG1 2.97Å
308R51.3Low57.2Low199 Ų199145.6 Ų145.675%0.75172%0.718SS**  trans-71.586.4170.8-68.5-170.1-173.5-170.75.2110.2D305 T306 I310D305-R308 PolarHBondContact O-N 3.4Å; D305-R308 IonicContact OD1-NH2 3.96Å; T306-R308 VanDerWaalsContact C-N 3.35Å; R308-I310 PolarHBondContact O-N 3.04Å
309T45.2Very low55.2Low119 Ų119143.7 Ų143.773%0.7372%0.723SS**  trans-51.8110.5167.9-47.30000107.8Q307 S311Q307-T309 PolarHBondContact O-N 2.92Å; Q307-T309 PolarHBondContact O-OG1 2.97Å; T309-S311 PolarHBondContact O-N 3.23Å; T309-S311 PolarHBondContact O-OG 3.49Å
310I48.2Very low52.9Low165 Ų165139.3 Ų139.385%0.84671%0.713SS**  trans-6594.1171.5-61.2175.5000106.2R308 R312R308-I310 PolarHBondContact O-N 3.04Å; I310-R312 PolarHBondContact O-N 2.88Å
311S45.9Very low50.6Low103 Ų103140.6 Ų140.672%0.7273%0.725SS**  trans-68.2103.6177.2-66.60000108.1T309 K313T309-S311 PolarHBondContact O-N 3.23Å; T309-S311 PolarHBondContact O-OG 3.49Å; S311-K313 PolarHBondContact O-N 3.21Å; S311-K313 VanDerWaalsContact O-N 3.12Å
312R41Very low48.5Very low214 Ų214140.2 Ų140.281%0.80872%0.723SS**  trans-50107.1162.1-159.8178.8-170.3162.42.4108.8I310 E314I310-R312 PolarHBondContact O-N 2.88Å; R312-E314 HydrophobicContact CG-CG 4.28Å
313K40.8Very low46.6Very low207 Ų207139 Ų13990%0.973%0.734SS**  trans-93.597.1162.4-164.3174-176.7177.60108.4S311S311-K313 PolarHBondContact O-N 3.21Å; S311-K313 VanDerWaalsContact O-N 3.12Å
314E43.7Very low45Very low147 Ų147142.3 Ų142.369%0.68775%0.753SS**  trans-69.1131.2164.7-66.5178.8137.900111R312R312-E314 HydrophobicContact CG-CG 4.28Å
315K42.2Very low43.8Very low211 Ų211143.2 Ų143.292%0.91776%0.757SS**  trans-177.2113139.1-112.6-178.7177.1-179.20108.7
316G37.1Very low42.5Very low51 Ų51144.5 Ų144.553%0.52677%0.769SS.*SBendcis-159.3145.10.700000110.3R318G316-R318 WeakPolarHBondContact O-CG 3.38Å; G316-R318 PolarHBondContact O-N 3Å
317G37Very low41.6Very low94 Ų94145.4 Ų145.497%0.96978%0.78SS**  trans48.251.1166.600000115.6
318R36.9Very low41Very low216 Ų216147.6 Ų147.682%0.81579%0.793SS**  trans-131.9125.9-175-81.5170.1178.4-173-2.5108.5G316 P320G316-R318 WeakPolarHBondContact O-CG 3.38Å; G316-R318 PolarHBondContact O-N 3Å; R318-P320 VanDerWaalsContact O-CD 3.24Å; R318-P320 WeakPolarHBondContact O-CD 3.41Å
319S45.2Very low40.6Very low126 Ų126144.1 Ų144.188%0.88179%0.794SS**  trans-82.8119.5169.953.60000109.2
320P39.8Very low40.4Very low87 Ų87143.7 Ų143.757%0.56579%0.793SS**  trans-139.8124144.734.5-18.7000111R318 E322R318-P320 VanDerWaalsContact O-CD 3.24Å; R318-P320 WeakPolarHBondContact O-CD 3.41Å; P320-E322 HydrophobicContact CB-CB 4.18Å; P320-E322 PolarHBondContact O-N 3.32Å
321D37.1Very low40Very low183 Ų183142.7 Ų142.798%0.97980%0.795SS**  trans-69.690156.3-87.2-29.6000106.6
322E37.8Very low39.8Very low150 Ų150149 Ų14970%0.70180%0.803SS**  trans-133.3101.8179-161.5172.3-169.400109P320P320-E322 HydrophobicContact CB-CB 4.18Å; P320-E322 PolarHBondContact O-N 3.32Å
323V37.4Very low39.8Very low146 Ų146147 Ų14789%0.88581%0.809SS**  trans-84.3123.7172.2174.80000107.5
324T39.2Very low39.7Very low121 Ų121140.1 Ų140.174%0.74280%0.796SS**  trans-124.6115.5176.2-3.10000113.3
325L37.5Very low39.6Very low147 Ų147140.5 Ų140.577%0.7781%0.808SS**  trans-15.7140.7156.5-72147000120.2
326T35.7Very low39.5Very low144 Ų144134.8 Ų134.888%0.88380%0.8SS**  166.1142.5117.425.80000108.5
327S40.4Very low39.7Very low108 Ų108138.3 Ų138.376%0.75581%0.814SS**  cis-161.1134.543.1174.10000109.5
328I40.7Very low40.1Very low162 Ų162139.4 Ų139.483%0.83180%0.804SS**  trans-91.6128.9178-63.1163.6000109.1
329V44.7Very low40.5Very low125 Ų125134.8 Ų134.876%0.75880%0.802SS**  trans-117.9125.7163.8-177.40000107.7
330P40.7Very low40.1Very low110 Ų110138.1 Ų138.171%0.71480%0.804SS**PPolyproline II helixtrans-90.4127.4-17632.3-29.4000111.9
331T39.9Very low40.6Very low144 Ų144139.7 Ų139.788%0.88382%0.817SS**PPolyproline II helixtrans-91.6125.116946.20000110.9
332R40Very low40.8Very low235 Ų235137.1 Ų137.189%0.88781%0.811SS**PPolyproline II helixtrans-84.8140.8174.6-69.9166.6145.7176.5-6.9110.7
333D41.9Very low40.8Very low174 Ų174133.3 Ų133.393%0.9381%0.812SS**  trans178.6131147.7-90.2-22.9000105.5
334G39.4Very low41.1Very low62 Ų62132.3 Ų132.364%0.63981%0.811SS**  cis-178.1174.7100000108.1
335T40.6Very low41.1Very low154 Ų154132.9 Ų132.995%0.94582%0.817SS**  trans89.6115.517165.60000119.4
336A40Very low41.1Very low91 Ų91128.7 Ų128.775%0.75281%0.809SS**  trans-92.816617700000112
337P42.3Very low41.3Very low126 Ų126129 Ų12982%0.81881%0.811SS**  -146.1165.695.635.9-18.2000116.2
338P45.6Very low41Very low116 Ų116127.3 Ų127.375%0.75381%0.811SS**  trans-115.3-169.5-173.442.5-30.2000113.7
339P45.3Very low40.9Very low120 Ų120128.5 Ų128.578%0.77981%0.813SS**  cis-124.2163.4-38.430.2-11.5000113.3
340Q36.1Very low40.3Very low195 Ų195129.9 Ų129.991%0.91182%0.815SS**  trans-101.2144170.1-70.5-179.216.100112
341S50.3Low40.2Very low121 Ų121133.5 Ų133.585%0.84682%0.823SS**  trans-87.8156.4174.8-60.60000112.4
342P41.7Very low39.9Very low129 Ų129134.8 Ų134.884%0.83882%0.819SS**  trans-106.3159.7-16038.4-30.2000114.7
343G36.5Very low39.8Very low70 Ų70134.3 Ų134.372%0.72282%0.817SS**  trans128.1109.2143.100000116.7
344S44.8Very low39.5Very low124 Ų124130.3 Ų130.387%0.86780%0.803SS**  -178.3141.3101.6-79.80000112.1
345P40Very low39.3Very low134 Ų134135.3 Ų135.387%0.8782%0.815SS**  trans-101.1164179.439.1-31.2000112.3
346G36.9Very low39.2Very low59 Ų59136.2 Ų136.261%0.60881%0.808SS**  trans156.880.1169.300000112.3
347T38.7Very low38.9Very low151 Ų151140 Ų14093%0.92681%0.81SS**  80.212010154.20000114.3
348G35.4Very low38.5Very low72 Ų72139.9 Ų139.974%0.74281%0.813SS**  trans148.884.414400000116.9
349Q37.4Very low38.2Very low187 Ų187139.4 Ų139.487%0.87481%0.81SS**  trans79.591139.1-69.9168.7800118.8
350D33Very low37.6Very low153 Ų153145 Ų14582%0.81882%0.815SS**  trans-27.3132.1135.6-44.7-65.4000114.4
351E39.3Very low37.5Very low187 Ų187145.8 Ų145.887%0.87482%0.816SS**  -146.2128.1129-79.2-144.5160.200109.8
352E33.4Very low36.8Very low171 Ų171143.8 Ų143.880%0.79981%0.807SS**  trans-122.8111.1-165.8171.9-173.3-144.700106.6
353W37.4Very low37Very low225 Ų225140.1 Ų140.185%0.85279%0.787SS**  trans-155.492.8165.9-72.199.5000108.4
354S35.1Very low38.1Very low89 Ų89143.9 Ų143.962%0.62280%0.796SS**  84.411189.3770000113.2E356S354-E356 PolarHBondContact O-N 3.19Å
355D35.4Very low39.3Very low167 Ų167139 Ų13989%0.89377%0.766SS**  trans-44.4123.5160.9-88.1-48.4000111.5
356E38.1Very low41.5Very low173 Ų173136.3 Ų136.381%0.80875%0.747SS**  trans-159.7124.3149.4-110.9176.1148.100111S354S354-E356 PolarHBondContact O-N 3.19Å
357E33.6Very low44.1Very low170 Ų170141 Ų14179%0.79475%0.746SS**  trans46.894.1158.2-68.1-169.8107.400119.7P359E357-P359 VanDerWaalsContact O-CD 3.26Å; E357-P359 WeakPolarHBondContact O-CD 3.31Å
358S34.4Very low46.7Very low124 Ų124133.9 Ų133.987%0.86770%0.702SS**  trans-76.9113141-106.10000108.7R360S358-R360 PolarHBondContact O-N 3.43Å
359P40Very low49.5Very low106 Ų106135 Ų13569%0.68868%0.684SS**  trans-64.4126.2169.127.5-31.2000107.2E357 K361E357-P359 VanDerWaalsContact O-CD 3.26Å; E357-P359 WeakPolarHBondContact O-CD 3.31Å; P359-K361 PolarHBondContact O-N 3.36Å
360R33.1Very low52.1Low237 Ų237126.2 Ų126.289%0.89464%0.644SS**  trans-41.8119.4162.2-63.4174.5178.3-165.3-2.1106.6S358 A362S358-R360 PolarHBondContact O-N 3.43Å; R360-A362 PolarHBondContact O-N 3.09Å
361K33.6Very low54.9Low212 Ų212122.3 Ų122.392%0.92262%0.622SS**  trans-61.286.2164.2-80.5-172.3177.8-178.10106.4P359 A363P359-K361 PolarHBondContact O-N 3.36Å; K361-A363 PolarHBondContact O-N 3.33Å
362A35.2Very low57.3Low80 Ų80120 Ų12066%0.66161%0.606SS**  trans-51.9120.7160.100000104.9R360 T364R360-A362 PolarHBondContact O-N 3.09Å; A362-T364 PolarHBondContact O-N 3.45Å
363A45.3Very low60Low51 Ų51117.1 Ų117.142%0.42160%0.596SS.*  trans-48.6106.9173.600000107.6K361 G365 L391K361-A363 PolarHBondContact O-N 3.33Å; A363-G365 PolarHBondContact O-N 2.97Å; A363-L391 HydrophobicContact CB-CD2 3.7Å
364T59.3Low62.6Low149 Ų149107.5 Ų107.591%0.91456%0.56SS**  trans-68.975.7167.9380000106.5A362A362-T364 PolarHBondContact O-N 3.45Å
365G70.1Confident65.3Low22 Ų22106.7 Ų106.723%0.22756%0.559CS.*  trans-112.7146.2171.900000110.3A363 L391 K392A363-G365 PolarHBondContact O-N 2.97Å; G365-L391 WeakPolarHBondContact O-CD1 3.39Å; G365-K392 CarbonylContact C-O 3.58Å; G365-K392 WeakPolarHBondContact CA-O 3.39Å
366V86.2Confident67.8Low78 Ų7899.9 Ų99.947%0.47353%0.528SS..EExtended strand (participates in β ladder)trans-83.5133.1176.1179.70000107.7V368 K392 C421V366-V368 PolarHBondContact O-N 3.27Å; V366-K392 HydrophobicContact CB-CB 4.48Å; V366-K392 PolarHBondContact N-O 2.71Å; V366-K392 WeakPolarHBondContact O-CB 3.41Å; V366-K392 PolarHBondContact O-N 2.93Å; V366-C421 HydrophobicContact CG1-CB 4.48Å
367R91.9Very high69.9Low158 Ų15899.4 Ų99.460%0.59653%0.526SS*.EExtended strand (participates in β ladder)trans-71.2125.8175-119.9-177.2-79.6167.4-2.7109E389 V422R367-E389 WeakPolarHBondContact CD-OE2 3.42Å; R367-V422 HydrophobicContact CB-CB 4.43Å; R367-V422 PolarHBondContact O-N 2.59Å
368V93.5Very high72.3Confident1 Ų197.4 Ų97.41%0.00652%0.516CS..EExtended strand (participates in β ladder)trans-123.5147.7178.1-61.20000109.6V366 E389 L390 K392 V419 E420V366-V368 PolarHBondContact O-N 3.27Å; V368-E389 CarbonylContact O-C 3.53Å; V368-E389 WeakPolarHBondContact O-CA 3.31Å; V368-L390 HydrophobicContact CG2-CB 3.9Å; V368-L390 HydrophobicContact CG2-CD1 4.12Å; V368-L390 WeakPolarHBondContact CG2-O 3.48Å; V368-L390 PolarHBondContact N-O 3.16Å; V368-L390 PolarHBondContact O-N 3.26Å; V368-K392 HydrophobicContact CG1-CB 3.88Å; V368-K392 HydrophobicContact CG1-CD 4.38Å; V368-K392 HydrophobicContact CG2-CB 4.38Å; V368-V419 HydrophobicContact CB-CB 3.91Å; V368-V419 HydrophobicContact CB-CG2 3.77Å; V368-V419 HydrophobicContact CG1-CG2 4.12Å; V368-V419 HydrophobicContact CG2-CB 4.03Å; V368-V419 HydrophobicContact CG2-CG1 4.19Å; V368-V419 HydrophobicContact CG2-CG2 3.92Å; V368-E420 CarbonylContact C-O 3.56Å; V368-E420 WeakPolarHBondContact CA-O 3.45Å; V368-E420 WeakPolarHBondContact CB-O 3.36Å
369R93.5Very high74.7Confident95 Ų9595.9 Ų95.936%0.35851%0.511SS..EExtended strand (participates in β ladder)trans-113.9131.9178.4179175-66.2172.92.5109.6L371 E389 V419 E420 V422R369-L371 PolarHBondContact O-N 3.5Å; R369-E389 IonicContact CZ-OE1 3.74Å; R369-E389 IonicContact NE-OE1 3.39Å; R369-E389 IonicContact NH2-OE1 2.88Å; R369-E389 PolarHBondContact NH2-OE1 2.93Å; R369-V419 CarbonylContact O-C 3.37Å; R369-V419 WeakPolarHBondContact O-CA 3.24Å; R369-E420 HydrophobicContact CB-CG 4.18Å; R369-E420 PolarHBondContact N-O 2.9Å; R369-E420 PolarHBondContact O-N 3.33Å; R369-V422 HydrophobicContact CB-CG2 3.65Å
370A92.6Very high77.1Confident3 Ų395 Ų953%0.02550%0.501CS..EExtended strand (participates in β ladder)trans-64.3125.6175.600000111.5F384 R385 G387 E388 L390 Y418A370-F384 HydrophobicContact CB-CD2 3.32Å; A370-F384 HydrophobicContact CB-CE2 3.57Å; A370-F384 HydrophobicContact CB-CG 4.4Å; A370-R385 VanDerWaalsContact CB-O 3.25Å; A370-R385 WeakPolarHBondContact CB-O 3.29Å; A370-G387 PolarHBondContact O-N 2.96Å; A370-E388 PolarHBondContact N-O 3.47Å; A370-L390 HydrophobicContact CB-CD1 4.32Å; A370-Y418 WeakPolarHBondContact CA-O 3.44Å
371L91.2Very high79.9Confident71 Ų7184.5 Ų84.537%0.37246%0.462SS..SBendtrans-82.4-28.4173.8-67.5174.1000111.9R369 Y418 E420R369-L371 PolarHBondContact O-N 3.5Å; L371-Y418 PolarHBondContact N-O 3.28Å; L371-E420 HydrophobicContact CD1-CB 4.28Å; L371-E420 HydrophobicContact CD2-CB 4.09Å; L371-E420 HydrophobicContact CD2-CG 3.79Å; L371-E420 HydrophobicContact CG-CB 4.23Å; L371-E420 HydrophobicContact CG-CG 4.25Å
372Y90.1Very high82.6Confident138 Ų13874.4 Ų74.454%0.54142%0.418SS..SBendtrans-137.2159.3-176.7-49.4-75.4000110.6Y418Y372-Y418 HydrophobicContact CD2-CD1 4.25Å; Y372-Y418 HydrophobicContact CD2-CG 4.41Å
373D90Very high85.3Confident110 Ų11073.1 Ų73.159%0.58841%0.405SS*.  trans-66133.3166.5-67.8-13.6000109.2R385 A386D373-R385 WeakPolarHBondContact OD1-CA 3.39Å; D373-R385 WeakPolarHBondContact OD1-CB 3.33Å; D373-A386 PolarHBondContact OD1-N 3.09Å
374Y92.3Very high87.5Confident23 Ų2371 Ų719%0.0939%0.386CS..BIsolated β-bridgetrans-127.8127.5174.4-171-107.6000109.9E381 L382 S383 F384 W401 P415 Y418Y374-E381 HydrophobicContact CE1-CB 4.47Å; Y374-E381 PolarHBondContact OH-OE2 2.98Å; Y374-L382 WeakPolarHBondContact CD1-O 3.43Å; Y374-L382 WeakPolarHBondContact CE1-O 3.4Å; Y374-S383 CarbonylContact O-C 3.59Å; Y374-S383 WeakPolarHBondContact O-CA 3.28Å; Y374-F384 VanDerWaalsContact CB-CZ 3.45Å; Y374-F384 AromaticContact CD1-CE1 3.86Å; Y374-F384 HydrophobicContact CD1-CE1 3.86Å; Y374-F384 HydrophobicContact CD1-CZ 4.14Å; Y374-F384 HydrophobicContact CG-CE1 4.18Å; Y374-F384 HydrophobicContact CG-CZ 4.01Å; Y374-F384 PolarHBondContact N-O 3.33Å; Y374-F384 PolarHBondContact O-N 3.44Å; Y374-F384 VanDerWaalsContact O-O 3.11Å; Y374-W401 HydrophobicContact CE1-CZ3 4.45Å; Y374-W401 WeakPolarHBondContact OH-CH2 3.32Å; Y374-W401 WeakPolarHBondContact OH-CZ3 3.1Å; Y374-P415 HydrophobicContact CD2-CG 4.14Å; Y374-P415 HydrophobicContact CE1-CG 4.43Å; Y374-P415 HydrophobicContact CE2-CG 3.56Å; Y374-Y418 AromaticContact CD2-CD1 3.79Å; Y374-Y418 HydrophobicContact CD2-CD1 3.79Å; Y374-Y418 AromaticContact CD2-CE1 3.67Å; Y374-Y418 HydrophobicContact CD2-CE1 3.67Å; Y374-Y418 HydrophobicContact CD2-CG 4.36Å; Y374-Y418 HydrophobicContact CG-CD1 4.19Å; Y374-Y418 HydrophobicContact CG-CE1 4.43Å
375A92.1Very high89Confident73 Ų7372.9 Ų72.960%0.60338%0.376SS*.  trans-112.4109.2173.400000108.2Q377A375-Q377 PolarHBondContact O-N 2.74Å
376G87.7Confident90.1Very high23 Ų2374.4 Ų74.424%0.23739%0.386CS..  trans-56.6133.1179.100000111.7E381 L382 S383G376-E381 VanDerWaalsContact CA-OE2 3.24Å; G376-E381 WeakPolarHBondContact CA-OE2 3.37Å; G376-L382 PolarHBondContact N-O 3.21Å; G376-S383 PolarHBondContact N-OG 2.75Å
377Q82.8Confident90.3Very high163 Ų16372.9 Ų72.976%0.76239%0.387SS*.SBendtrans-90-36.3-178-61.1-177.428.500111.2A375 E381A375-Q377 PolarHBondContact O-N 2.74Å; Q377-E381 PolarHBondContact N-OE2 2.87Å
378E83.2Confident90.4Very high128 Ų12868.2 Ų68.260%0.59837%0.372SS*.SBendtrans-104.2163.4176.6-60-61.9156.200112.7D380 E381E378-D380 WeakPolarHBondContact CB-OD1 3.42Å; E378-D380 PolarHBondContact O-N 3.36Å; E378-E381 HydrophobicContact CB-CG 4.19Å; E378-E381 PolarHBondContact N-OE1 3.48Å; E378-E381 WeakPolarHBondContact O-CB 3.48Å; E378-E381 PolarHBondContact O-N 3.33Å; E378-E381 VanDerWaalsContact O-N 3.13Å
379A84.2Confident90.3Very high92 Ų9270.3 Ų70.376%0.7638%0.381SS*.THydrogen-bonded Turntrans-66.2-26.3-173.400000113.9R410A379-R410 PolarHBondContact O-NH2 3.02Å
380D90.4Very high90.3Very high89 Ų8965.9 Ų65.948%0.47637%0.365SS..THydrogen-bonded Turntrans-85.1-6.3177.361.6-25.6000113.3E378 G412 L413E378-D380 WeakPolarHBondContact CB-OD1 3.42Å; E378-D380 PolarHBondContact O-N 3.36Å; D380-G412 CarbonylContact O-C 3.5Å; D380-G412 WeakPolarHBondContact O-CA 3.27Å; D380-L413 PolarHBondContact O-N 3.23Å
381E92.3Very high90.4Very high15 Ų1567.7 Ų67.77%0.0737%0.374CS..BIsolated β-bridgetrans-87.1146176.9-63.4178.3-145.500112.8Y374 G376 Q377 E378 W401 R410 L413Y374-E381 HydrophobicContact CE1-CB 4.47Å; Y374-E381 PolarHBondContact OH-OE2 2.98Å; G376-E381 VanDerWaalsContact CA-OE2 3.24Å; G376-E381 WeakPolarHBondContact CA-OE2 3.37Å; Q377-E381 PolarHBondContact N-OE2 2.87Å; E378-E381 HydrophobicContact CB-CG 4.19Å; E378-E381 PolarHBondContact N-OE1 3.48Å; E378-E381 WeakPolarHBondContact O-CB 3.48Å; E378-E381 PolarHBondContact O-N 3.33Å; E378-E381 VanDerWaalsContact O-N 3.13Å; E381-W401 HydrophobicContact CG-CH2 4.06Å; E381-W401 HydrophobicContact CG-CZ3 3.82Å; E381-R410 PolarHBondContact O-NH2 3.12Å; E381-L413 CarbonylContact C-O 3.45Å; E381-L413 WeakPolarHBondContact CA-O 3.5Å
382L90.9Very high90.4Very high0 Ų066.9 Ų66.90%037%0.367CS..  trans-81.2152.4172-64.6177.9000110.9Y374 G376 F384 L390 L406 R410 L413 Y414Y374-L382 WeakPolarHBondContact CD1-O 3.43Å; Y374-L382 WeakPolarHBondContact CE1-O 3.4Å; G376-L382 PolarHBondContact N-O 3.21Å; L382-F384 HydrophobicContact CB-CD1 4.08Å; L382-F384 HydrophobicContact CB-CE1 4.36Å; L382-L390 HydrophobicContact CD1-CD2 3.96Å; L382-L406 HydrophobicContact CB-CD1 4.46Å; L382-L406 HydrophobicContact CD1-CG 4.21Å; L382-L406 HydrophobicContact CD2-CD1 3.92Å; L382-L406 HydrophobicContact CD2-CG 3.96Å; L382-L406 HydrophobicContact CG-CG 4.47Å; L382-R410 HydrophobicContact CD2-CB 4.39Å; L382-R410 HydrophobicContact CD2-CG 3.98Å; L382-L413 PolarHBondContact N-O 3.45Å; L382-Y414 HydrophobicContact CD1-CD1 4.2Å
383S92.1Very high90.4Very high54 Ų5464.1 Ų64.138%0.37836%0.36SS..  trans-121.3127.6166.6-52.50000108.4Y374 G376Y374-S383 CarbonylContact O-C 3.59Å; Y374-S383 WeakPolarHBondContact O-CA 3.28Å; G376-S383 PolarHBondContact N-OG 2.75Å
384F91.9Very high90.3Very high6 Ų660.9 Ų60.93%0.02635%0.346CS..BIsolated β-bridgetrans-147.8160.1-176.750.9-95.1000110.9A370 Y374 L382 E388 L390 L406 Y414 V419A370-F384 HydrophobicContact CB-CD2 3.32Å; A370-F384 HydrophobicContact CB-CE2 3.57Å; A370-F384 HydrophobicContact CB-CG 4.4Å; Y374-F384 VanDerWaalsContact CB-CZ 3.45Å; Y374-F384 AromaticContact CD1-CE1 3.86Å; Y374-F384 HydrophobicContact CD1-CE1 3.86Å; Y374-F384 HydrophobicContact CD1-CZ 4.14Å; Y374-F384 HydrophobicContact CG-CE1 4.18Å; Y374-F384 HydrophobicContact CG-CZ 4.01Å; Y374-F384 PolarHBondContact N-O 3.33Å; Y374-F384 PolarHBondContact O-N 3.44Å; Y374-F384 VanDerWaalsContact O-O 3.11Å; L382-F384 HydrophobicContact CB-CD1 4.08Å; L382-F384 HydrophobicContact CB-CE1 4.36Å; F384-E388 WeakPolarHBondContact CA-OE2 3.47Å; F384-E388 HydrophobicContact CB-CB 4.36Å; F384-E388 WeakPolarHBondContact CB-OE2 3.45Å; F384-L390 HydrophobicContact CB-CD2 4.32Å; F384-L390 HydrophobicContact CD1-CD2 3.56Å; F384-L390 HydrophobicContact CE1-CD2 3.99Å; F384-L390 HydrophobicContact CG-CD1 4.45Å; F384-L390 HydrophobicContact CG-CD2 3.97Å; F384-L406 HydrophobicContact CB-CD2 3.88Å; F384-Y414 HydrophobicContact CE1-CG 4.23Å; F384-V419 HydrophobicContact CE2-CG1 4.46Å; F384-V419 HydrophobicContact CZ-CG1 4.32Å
385R90.6Very high90Very high188 Ų18868 Ų6871%0.70938%0.38SS*.  trans-102.2155177.3-65.5-175.8-178.7-177.4-0.1111.9A370 D373 G387 E388A370-R385 VanDerWaalsContact CB-O 3.25Å; A370-R385 WeakPolarHBondContact CB-O 3.29Å; D373-R385 WeakPolarHBondContact OD1-CA 3.39Å; D373-R385 WeakPolarHBondContact OD1-CB 3.33Å; R385-G387 PolarHBondContact O-N 3.37Å; R385-E388 PolarHBondContact N-OE2 2.96Å; R385-E388 WeakPolarHBondContact O-CB 3.35Å; R385-E388 PolarHBondContact O-N 3.45Å
386A92.5Very high89.8Confident54 Ų5470.1 Ų70.145%0.44638%0.378SS..THydrogen-bonded Turntrans-51.6129.9171.400000110.1D373D373-A386 PolarHBondContact OD1-N 3.09Å
387G91.1Very high89.7Confident46 Ų4672.1 Ų72.147%0.47438%0.383SS..THydrogen-bonded Turntrans89.6-11.4-174.800000115.4A370 R385A370-G387 PolarHBondContact O-N 2.96Å; R385-G387 PolarHBondContact O-N 3.37Å
388E92.5Very high89.6Confident60 Ų6074.2 Ų74.228%0.2839%0.393SS..  trans-70.5138.6176.7-165.1169.6173.500111.1A370 F384 R385A370-E388 PolarHBondContact N-O 3.47Å; F384-E388 WeakPolarHBondContact CA-OE2 3.47Å; F384-E388 HydrophobicContact CB-CB 4.36Å; F384-E388 WeakPolarHBondContact CB-OE2 3.45Å; R385-E388 PolarHBondContact N-OE2 2.96Å; R385-E388 WeakPolarHBondContact O-CB 3.35Å; R385-E388 PolarHBondContact O-N 3.45Å
389E93Very high89.6Confident45 Ų4575.7 Ų75.721%0.2140%0.4CS..EExtended strand (participates in β ladder)trans-96.3131.2179.3-67.1-170.3174.400111.1R367 V368 R369R367-E389 WeakPolarHBondContact CD-OE2 3.42Å; V368-E389 CarbonylContact O-C 3.53Å; V368-E389 WeakPolarHBondContact O-CA 3.31Å; R369-E389 IonicContact CZ-OE1 3.74Å; R369-E389 IonicContact NE-OE1 3.39Å; R369-E389 IonicContact NH2-OE1 2.88Å; R369-E389 PolarHBondContact NH2-OE1 2.93Å
390L92.8Very high89.7Confident3 Ų372.1 Ų72.12%0.01637%0.372CS..EExtended strand (participates in β ladder)trans-120.4159.6176.9-41.293.3000110.1V368 A370 L382 F384 Q405 L406 V419V368-L390 HydrophobicContact CG2-CB 3.9Å; V368-L390 HydrophobicContact CG2-CD1 4.12Å; V368-L390 WeakPolarHBondContact CG2-O 3.48Å; V368-L390 PolarHBondContact N-O 3.16Å; V368-L390 PolarHBondContact O-N 3.26Å; A370-L390 HydrophobicContact CB-CD1 4.32Å; L382-L390 HydrophobicContact CD1-CD2 3.96Å; F384-L390 HydrophobicContact CB-CD2 4.32Å; F384-L390 HydrophobicContact CD1-CD2 3.56Å; F384-L390 HydrophobicContact CE1-CD2 3.99Å; F384-L390 HydrophobicContact CG-CD1 4.45Å; F384-L390 HydrophobicContact CG-CD2 3.97Å; L390-Q405 WeakPolarHBondContact CA-O 3.29Å; L390-L406 HydrophobicContact CD2-CD2 3.4Å; L390-L406 VanDerWaalsContact CD2-CD2 3.4Å; L390-L406 HydrophobicContact CD2-CG 4.39Å; L390-L406 HydrophobicContact CG-CD2 3.97Å; L390-V419 HydrophobicContact CD1-CG1 3.99Å
391L94Very high89.8Confident40 Ų4070.7 Ų70.721%0.20936%0.36CS..EExtended strand (participates in β ladder)trans-99.4112.5171-166.975.5000109.5A363 G365 M393 G404 Q405A363-L391 HydrophobicContact CB-CD2 3.7Å; G365-L391 WeakPolarHBondContact O-CD1 3.39Å; L391-M393 PolarHBondContact O-N 3.46Å; L391-G404 CarbonylContact O-C 3.44Å; L391-G404 WeakPolarHBondContact O-CA 3.5Å; L391-Q405 HydrophobicContact CB-CB 4.29Å; L391-Q405 PolarHBondContact N-O 3.41Å; L391-Q405 PolarHBondContact O-N 3.14Å
392K92.4Very high89.7Confident55 Ų5570 Ų7024%0.23936%0.357CS..EExtended strand (participates in β ladder)trans-71.8120.1174.3178.1170.9179.5168.50109.9G365 V366 V368 S394 C402 Y414G365-K392 CarbonylContact C-O 3.58Å; G365-K392 WeakPolarHBondContact CA-O 3.39Å; V366-K392 HydrophobicContact CB-CB 4.48Å; V366-K392 PolarHBondContact N-O 2.71Å; V366-K392 WeakPolarHBondContact O-CB 3.41Å; V366-K392 PolarHBondContact O-N 2.93Å; V368-K392 HydrophobicContact CG1-CB 3.88Å; V368-K392 HydrophobicContact CG1-CD 4.38Å; V368-K392 HydrophobicContact CG2-CB 4.38Å; K392-S394 WeakPolarHBondContact CE-O 3.4Å; K392-S394 VanDerWaalsContact CG-O 3.3Å; K392-S394 WeakPolarHBondContact CG-O 3.29Å; K392-C402 VanDerWaalsContact CE-SG 3.54Å; K392-Y414 WeakPolarHBondContact CB-OH 3.41Å; K392-Y414 WeakPolarHBondContact CG-OH 3.32Å
393M89.6Confident89.8Confident80 Ų8074 Ų7439%0.39438%0.376SS..  trans-107.2-20.4-174.6-64.2-169.970.800114.2L391 Q403 Q405 I411L391-M393 PolarHBondContact O-N 3.46Å; M393-Q403 PolarHBondContact N-O 3.31Å; M393-Q405 HydrophobicContact SD-CB 3.99Å; M393-I411 HydrophobicContact SD-CD1 4.13Å; M393-I411 HydrophobicContact SD-CG1 4.31Å; M393-I411 HydrophobicContact SD-CG2 4.33Å
394S88.4Confident89.8Confident41 Ų4171.5 Ų71.529%0.28736%0.358SS..SBendtrans-128.8163.5175.976.20000111.4K392 Q403K392-S394 WeakPolarHBondContact CE-O 3.4Å; K392-S394 VanDerWaalsContact CG-O 3.3Å; K392-S394 WeakPolarHBondContact CG-O 3.29Å; S394-Q403 PolarHBondContact N-O 2.91Å; S394-Q403 WeakPolarHBondContact OG-CB 3.39Å; S394-Q403 PolarHBondContact OG-N 2.84Å
395E86.1Confident89.9Confident172 Ų17273.9 Ų73.980%0.80437%0.369SS*.  trans-71.5170161.3-62.1-157.1163.100110.9
396E88Confident90Very high118 Ų11865.5 Ų65.555%0.55134%0.338SS*.  trans-69.3132.4177.4-174178154.900109.9G400 W401 A416E396-G400 WeakPolarHBondContact OE1-CA 3.47Å; E396-W401 CarbonylContact C-O 3.5Å; E396-W401 VanDerWaalsContact CA-O 3.32Å; E396-W401 WeakPolarHBondContact CA-O 3.4Å; E396-A416 HydrophobicContact CB-CB 4.34Å; E396-A416 HydrophobicContact CG-CB 3.84Å; E396-A416 WeakPolarHBondContact OE2-CB 3.23Å
397D84Confident89.7Confident66 Ų6670.4 Ų70.435%0.35335%0.352SS..  trans-82.5179.4174.774.57.8000112.4Q399 G400 W401D397-Q399 PolarHBondContact O-N 3.42Å; D397-Q399 VanDerWaalsContact O-N 3.09Å; D397-Q399 WeakPolarHBondContact OD1-CA 3.18Å; D397-Q399 PolarHBondContact OD1-N 3.02Å; D397-G400 PolarHBondContact O-N 2.97Å; D397-G400 VanDerWaalsContact O-N 3.14Å; D397-G400 PolarHBondContact OD1-N 3.28Å; D397-W401 PolarHBondContact N-O 2.9Å; D397-W401 PolarHBondContact OD1-N 3.22Å
398E82.2Confident89.5Confident207 Ų20772.8 Ų72.897%0.96736%0.361SS*.THydrogen-bonded Turntrans-64.2-13.8-179.1-62-179.1175.500114.1
399Q82.5Confident89.3Confident158 Ų15871.6 Ų71.674%0.73837%0.366SS*.THydrogen-bonded Turntrans-102.91-179.8-66.2177.997.500112.7D397D397-Q399 PolarHBondContact O-N 3.42Å; D397-Q399 VanDerWaalsContact O-N 3.09Å; D397-Q399 WeakPolarHBondContact OD1-CA 3.18Å; D397-Q399 PolarHBondContact OD1-N 3.02Å
400G85.5Confident89.1Confident18 Ų1874.7 Ų74.719%0.18638%0.375CS..SBendtrans87.119179.300000114.7E396 D397 A416E396-G400 WeakPolarHBondContact OE1-CA 3.47Å; D397-G400 PolarHBondContact O-N 2.97Å; D397-G400 VanDerWaalsContact O-N 3.14Å; D397-G400 PolarHBondContact OD1-N 3.28Å; G400-A416 WeakPolarHBondContact O-CB 3.4Å; G400-A416 PolarHBondContact O-N 3.15Å
401W92.6Very high89.1Confident59 Ų5978.3 Ų78.322%0.22339%0.394CS..EExtended strand (participates in β ladder)trans-103.8146.1-178.4-64.581.1000112.3Y374 E381 E396 D397 L413 P415Y374-W401 HydrophobicContact CE1-CZ3 4.45Å; Y374-W401 WeakPolarHBondContact OH-CH2 3.32Å; Y374-W401 WeakPolarHBondContact OH-CZ3 3.1Å; E381-W401 HydrophobicContact CG-CH2 4.06Å; E381-W401 HydrophobicContact CG-CZ3 3.82Å; E396-W401 CarbonylContact C-O 3.5Å; E396-W401 VanDerWaalsContact CA-O 3.32Å; E396-W401 WeakPolarHBondContact CA-O 3.4Å; D397-W401 PolarHBondContact N-O 2.9Å; D397-W401 PolarHBondContact OD1-N 3.22Å; W401-L413 HydrophobicContact CE3-CB 3.82Å; W401-L413 HydrophobicContact CZ3-CB 4.35Å; W401-P415 HydrophobicContact CE3-CG 4.32Å; W401-P415 HydrophobicContact CH2-CG 4.22Å; W401-P415 HydrophobicContact CZ3-CG 4.01Å
402C90.9Very high89.1Confident0 Ų076.6 Ų76.60%039%0.386CS..EExtended strand (participates in β ladder)trans-121.4147171.5-72.20000109.6K392 L413 Y414K392-C402 VanDerWaalsContact CE-SG 3.54Å; C402-L413 CarbonylContact O-C 3.57Å; C402-L413 WeakPolarHBondContact O-CA 3.36Å; C402-Y414 HydrophobicContact CB-CD1 4.42Å; C402-Y414 HydrophobicContact CB-CE1 3.77Å; C402-Y414 HydrophobicContact CB-CE2 3.85Å; C402-Y414 VanDerWaalsContact CB-CZ 3.45Å; C402-Y414 WeakPolarHBondContact CB-OH 3.44Å; C402-Y414 PolarHBondContact N-O 3.04Å; C402-Y414 VanDerWaalsContact O-CD1 3.23Å; C402-Y414 WeakPolarHBondContact O-CD1 3.15Å; C402-Y414 WeakPolarHBondContact O-CE1 3.49Å; C402-Y414 PolarHBondContact O-N 2.78Å
403Q93.1Very high89.1Confident85 Ų8576.3 Ų76.340%0.39739%0.387SS..EExtended strand (participates in β ladder)trans-86133.8167.6-165.8174.712.200109.7M393 S394 I411 G412 L413M393-Q403 PolarHBondContact N-O 3.31Å; S394-Q403 PolarHBondContact N-O 2.91Å; S394-Q403 WeakPolarHBondContact OG-CB 3.39Å; S394-Q403 PolarHBondContact OG-N 2.84Å; Q403-I411 HydrophobicContact CG-CG2 3.86Å; Q403-I411 VanDerWaalsContact NE2-CG2 3.28Å; Q403-G412 WeakPolarHBondContact CA-O 3.26Å; Q403-L413 HydrophobicContact CB-CD2 4.18Å
404G92.6Very high89.2Confident0 Ų072.5 Ų72.50%037%0.368CS..EExtended strand (participates in β ladder)trans-139.8174176.700000113.5L391 I411 G412L391-G404 CarbonylContact O-C 3.44Å; L391-G404 WeakPolarHBondContact O-CA 3.5Å; G404-I411 VanDerWaalsContact O-CA 3.28Å; G404-I411 WeakPolarHBondContact O-CA 3.47Å; G404-I411 WeakPolarHBondContact O-CG2 3.19Å; G404-G412 PolarHBondContact N-O 3.03Å; G404-G412 PolarHBondContact O-N 3.31Å
405Q94.5Very high89.4Confident57 Ų5771.2 Ų71.227%0.26636%0.359SS..EExtended strand (participates in β ladder)trans-126.6126.8175.2-171176.322.400110.3L390 L391 M393 G409 R410 I411L390-Q405 WeakPolarHBondContact CA-O 3.29Å; L391-Q405 HydrophobicContact CB-CB 4.29Å; L391-Q405 PolarHBondContact N-O 3.41Å; L391-Q405 PolarHBondContact O-N 3.14Å; M393-Q405 HydrophobicContact SD-CB 3.99Å; Q405-G409 PolarHBondContact NE2-O 2.98Å; Q405-R410 WeakPolarHBondContact CA-O 3.39Å; Q405-I411 HydrophobicContact CB-CG1 4.03Å; Q405-I411 HydrophobicContact CG-CG1 3.78Å
406L91.8Very high89.6Confident12 Ų1263.9 Ų63.96%0.06333%0.328CS..  trans-74.1162.7171.6-67.2173000110.9L382 F384 L390 S408 G409 R410L382-L406 HydrophobicContact CB-CD1 4.46Å; L382-L406 HydrophobicContact CD1-CG 4.21Å; L382-L406 HydrophobicContact CD2-CD1 3.92Å; L382-L406 HydrophobicContact CD2-CG 3.96Å; L382-L406 HydrophobicContact CG-CG 4.47Å; F384-L406 HydrophobicContact CB-CD2 3.88Å; L390-L406 HydrophobicContact CD2-CD2 3.4Å; L390-L406 VanDerWaalsContact CD2-CD2 3.4Å; L390-L406 HydrophobicContact CD2-CG 4.39Å; L390-L406 HydrophobicContact CG-CD2 3.97Å; L406-S408 WeakPolarHBondContact CB-OG 3.44Å; L406-S408 PolarHBondContact O-N 3.01Å; L406-S408 VanDerWaalsContact O-N 3.15Å; L406-G409 PolarHBondContact O-N 3.33Å; L406-R410 HydrophobicContact CD1-CB 4.46Å; L406-R410 PolarHBondContact N-O 3.25Å
407Q86.4Confident89.7Confident156 Ų15663.7 Ų63.773%0.72933%0.33SS*.THydrogen-bonded Turntrans-59.4-24.9171.9-66.6-173.5-2.100113.2G409Q407-G409 PolarHBondContact O-N 3.12Å
408S85.8Confident90.1Very high96 Ų9664.1 Ų64.167%0.67133%0.327SS*.THydrogen-bonded Turntrans-68-9.7172.9630000113.8L406 R410L406-S408 WeakPolarHBondContact CB-OG 3.44Å; L406-S408 PolarHBondContact O-N 3.01Å; L406-S408 VanDerWaalsContact O-N 3.15Å; S408-R410 VanDerWaalsContact C-N 3.33Å
409G88.7Confident90.5Very high36 Ų3655.1 Ų55.137%0.37129%0.287SS..SBendtrans89-9.5-17600000114.2Q405 L406 Q407 I411Q405-G409 PolarHBondContact NE2-O 2.98Å; L406-G409 PolarHBondContact O-N 3.33Å; Q407-G409 PolarHBondContact O-N 3.12Å; G409-I411 PolarHBondContact O-N 3.12Å
410R89.1Confident91Very high109 Ų10952 Ų5241%0.41127%0.272SS..  trans-64.8128.6176.6-172.6178.3179.7-153.9-6.4110A379 E381 L382 Q405 L406 S408A379-R410 PolarHBondContact O-NH2 3.02Å; E381-R410 PolarHBondContact O-NH2 3.12Å; L382-R410 HydrophobicContact CD2-CB 4.39Å; L382-R410 HydrophobicContact CD2-CG 3.98Å; Q405-R410 WeakPolarHBondContact CA-O 3.39Å; L406-R410 HydrophobicContact CD1-CB 4.46Å; L406-R410 PolarHBondContact N-O 3.25Å; S408-R410 VanDerWaalsContact C-N 3.33Å
411I94Very high91.1Very high79 Ų7955.2 Ų55.241%0.40529%0.291SS..EExtended strand (participates in β ladder)trans-104137.9175.4-60.2173.8000108.3M393 Q403 G404 Q405 G409M393-I411 HydrophobicContact SD-CD1 4.13Å; M393-I411 HydrophobicContact SD-CG1 4.31Å; M393-I411 HydrophobicContact SD-CG2 4.33Å; Q403-I411 HydrophobicContact CG-CG2 3.86Å; Q403-I411 VanDerWaalsContact NE2-CG2 3.28Å; G404-I411 VanDerWaalsContact O-CA 3.28Å; G404-I411 WeakPolarHBondContact O-CA 3.47Å; G404-I411 WeakPolarHBondContact O-CG2 3.19Å; Q405-I411 HydrophobicContact CB-CG1 4.03Å; Q405-I411 HydrophobicContact CG-CG1 3.78Å; G409-I411 PolarHBondContact O-N 3.12Å
412G92.7Very high90.6Very high5 Ų554.5 Ų54.55%0.05229%0.293CS..EExtended strand (participates in β ladder)trans-173.2-179.8178.400000112.5D380 Q403 G404D380-G412 CarbonylContact O-C 3.5Å; D380-G412 WeakPolarHBondContact O-CA 3.27Å; Q403-G412 WeakPolarHBondContact CA-O 3.26Å; G404-G412 PolarHBondContact N-O 3.03Å; G404-G412 PolarHBondContact O-N 3.31Å
413L93.3Very high89.2Confident48 Ų4857.6 Ų57.625%0.25132%0.324SS..EExtended strand (participates in β ladder)trans-85.7148.7178.5-61.3176.7000111.4D380 E381 L382 W401 C402 Q403D380-L413 PolarHBondContact O-N 3.23Å; E381-L413 CarbonylContact C-O 3.45Å; E381-L413 WeakPolarHBondContact CA-O 3.5Å; L382-L413 PolarHBondContact N-O 3.45Å; W401-L413 HydrophobicContact CE3-CB 3.82Å; W401-L413 HydrophobicContact CZ3-CB 4.35Å; C402-L413 CarbonylContact O-C 3.57Å; C402-L413 WeakPolarHBondContact O-CA 3.36Å; Q403-L413 HydrophobicContact CB-CD2 4.18Å
414Y91.7Very high86.5Confident0 Ų062 Ų620%038%0.376CS..EExtended strand (participates in β ladder)trans-147.7153.3169.866.2-85.8000110.5L382 F384 K392 C402 A416 V419L382-Y414 HydrophobicContact CD1-CD1 4.2Å; F384-Y414 HydrophobicContact CE1-CG 4.23Å; K392-Y414 WeakPolarHBondContact CB-OH 3.41Å; K392-Y414 WeakPolarHBondContact CG-OH 3.32Å; C402-Y414 HydrophobicContact CB-CD1 4.42Å; C402-Y414 HydrophobicContact CB-CE1 3.77Å; C402-Y414 HydrophobicContact CB-CE2 3.85Å; C402-Y414 VanDerWaalsContact CB-CZ 3.45Å; C402-Y414 WeakPolarHBondContact CB-OH 3.44Å; C402-Y414 PolarHBondContact N-O 3.04Å; C402-Y414 VanDerWaalsContact O-CD1 3.23Å; C402-Y414 WeakPolarHBondContact O-CD1 3.15Å; C402-Y414 WeakPolarHBondContact O-CE1 3.49Å; C402-Y414 PolarHBondContact O-N 2.78Å; Y414-A416 PolarHBondContact O-N 3.47Å; Y414-V419 HydrophobicContact CD2-CG1 3.8Å; Y414-V419 HydrophobicContact CD2-CG2 4.35Å; Y414-V419 HydrophobicContact CE2-CB 4.25Å; Y414-V419 HydrophobicContact CE2-CG1 3.66Å; Y414-V419 HydrophobicContact CE2-CG2 3.5Å; Y414-V419 VanDerWaalsContact CE2-CG2 3.5Å
415P91.5Very high86.2Confident15 Ų1565.1 Ų65.110%0.09739%0.394CS..EExtended strand (participates in β ladder)trans-67.8128.7177.1-17.530.6000111Y374 W401 N417 Y418Y374-P415 HydrophobicContact CD2-CG 4.14Å; Y374-P415 HydrophobicContact CE1-CG 4.43Å; Y374-P415 HydrophobicContact CE2-CG 3.56Å; W401-P415 HydrophobicContact CE3-CG 4.32Å; W401-P415 HydrophobicContact CH2-CG 4.22Å; W401-P415 HydrophobicContact CZ3-CG 4.01Å; P415-N417 VanDerWaalsContact CB-OD1 3.31Å; P415-N417 WeakPolarHBondContact CB-OD1 3.5Å; P415-N417 PolarHBondContact O-N 3.22Å; P415-N417 VanDerWaalsContact O-N 3.09Å; P415-Y418 HydrophobicContact CB-CD2 3.75Å; P415-Y418 HydrophobicContact CB-CE2 4.3Å; P415-Y418 HydrophobicContact CB-CG 4.43Å; P415-Y418 HydrophobicContact CG-CD2 4.05Å; P415-Y418 HydrophobicContact CG-CE2 4.36Å; P415-Y418 PolarHBondContact O-N 2.8Å
416A90.5Very high85.8Confident18 Ų1865.5 Ų65.515%0.14940%0.401CS..G310 helixtrans-58.4-29.6-17400000113.4E396 G400 Y414 Y418E396-A416 HydrophobicContact CB-CB 4.34Å; E396-A416 HydrophobicContact CG-CB 3.84Å; E396-A416 WeakPolarHBondContact OE2-CB 3.23Å; G400-A416 WeakPolarHBondContact O-CB 3.4Å; G400-A416 PolarHBondContact O-N 3.15Å; Y414-A416 PolarHBondContact O-N 3.47Å; A416-Y418 VanDerWaalsContact C-N 3.31Å; A416-Y418 PolarHBondContact O-N 3.46Å
417N91.2Very high85.5Confident113 Ų11368.5 Ų68.560%0.60442%0.42SS*.G310 helixtrans-80.5-2.1179.966.2-27.9000114.9P415P415-N417 VanDerWaalsContact CB-OD1 3.31Å; P415-N417 WeakPolarHBondContact CB-OD1 3.5Å; P415-N417 PolarHBondContact O-N 3.22Å; P415-N417 VanDerWaalsContact O-N 3.09Å
418Y91.2Very high85.4Confident75 Ų7563.4 Ų63.429%0.29440%0.402SS..G310 helixtrans-89.9-2.3176.4-87.8-117000113.3A370 L371 Y372 Y374 P415 A416A370-Y418 WeakPolarHBondContact CA-O 3.44Å; L371-Y418 PolarHBondContact N-O 3.28Å; Y372-Y418 HydrophobicContact CD2-CD1 4.25Å; Y372-Y418 HydrophobicContact CD2-CG 4.41Å; Y374-Y418 AromaticContact CD2-CD1 3.79Å; Y374-Y418 HydrophobicContact CD2-CD1 3.79Å; Y374-Y418 AromaticContact CD2-CE1 3.67Å; Y374-Y418 HydrophobicContact CD2-CE1 3.67Å; Y374-Y418 HydrophobicContact CD2-CG 4.36Å; Y374-Y418 HydrophobicContact CG-CD1 4.19Å; Y374-Y418 HydrophobicContact CG-CE1 4.43Å; P415-Y418 HydrophobicContact CB-CD2 3.75Å; P415-Y418 HydrophobicContact CB-CE2 4.3Å; P415-Y418 HydrophobicContact CB-CG 4.43Å; P415-Y418 HydrophobicContact CG-CD2 4.05Å; P415-Y418 HydrophobicContact CG-CE2 4.36Å; P415-Y418 PolarHBondContact O-N 2.8Å; A416-Y418 VanDerWaalsContact C-N 3.31Å; A416-Y418 PolarHBondContact O-N 3.46Å
419V91.3Very high85.4Confident19 Ų1961.3 Ų61.312%0.11539%0.385CS..EExtended strand (participates in β ladder)trans-132.1156.4-177.9-51.40000111.4V368 R369 F384 L390 Y414V368-V419 HydrophobicContact CB-CB 3.91Å; V368-V419 HydrophobicContact CB-CG2 3.77Å; V368-V419 HydrophobicContact CG1-CG2 4.12Å; V368-V419 HydrophobicContact CG2-CB 4.03Å; V368-V419 HydrophobicContact CG2-CG1 4.19Å; V368-V419 HydrophobicContact CG2-CG2 3.92Å; R369-V419 CarbonylContact O-C 3.37Å; R369-V419 WeakPolarHBondContact O-CA 3.24Å; F384-V419 HydrophobicContact CE2-CG1 4.46Å; F384-V419 HydrophobicContact CZ-CG1 4.32Å; L390-V419 HydrophobicContact CD1-CG1 3.99Å; Y414-V419 HydrophobicContact CD2-CG1 3.8Å; Y414-V419 HydrophobicContact CD2-CG2 4.35Å; Y414-V419 HydrophobicContact CE2-CB 4.25Å; Y414-V419 HydrophobicContact CE2-CG1 3.66Å; Y414-V419 HydrophobicContact CE2-CG2 3.5Å; Y414-V419 VanDerWaalsContact CE2-CG2 3.5Å
420E92.3Very high85.2Confident92 Ų9263 Ų6343%0.4339%0.386SS..EExtended strand (participates in β ladder)trans-116146.9167.462.7178.3-177.600110.4V368 R369 L371 V422V368-E420 CarbonylContact C-O 3.56Å; V368-E420 WeakPolarHBondContact CA-O 3.45Å; V368-E420 WeakPolarHBondContact CB-O 3.36Å; R369-E420 HydrophobicContact CB-CG 4.18Å; R369-E420 PolarHBondContact N-O 2.9Å; R369-E420 PolarHBondContact O-N 3.33Å; L371-E420 HydrophobicContact CD1-CB 4.28Å; L371-E420 HydrophobicContact CD2-CB 4.09Å; L371-E420 HydrophobicContact CD2-CG 3.79Å; L371-E420 HydrophobicContact CG-CB 4.23Å; L371-E420 HydrophobicContact CG-CG 4.25Å; E420-V422 PolarHBondContact O-N 3.36Å
421C87.4Confident84.9Confident85 Ų8559.7 Ų59.757%0.57438%0.384SS*.EExtended strand (participates in β ladder)trans-66.6124.6170.7-72.30000109.6V366 G423V366-C421 HydrophobicContact CG1-CB 4.48Å; C421-G423 PolarHBondContact O-N 3.06Å
422V82.8Confident84.2Confident45 Ų4558.2 Ų58.227%0.27338%0.382SS..  trans-75.997.7169-172.80000106R367 R369 E420 A424R367-V422 HydrophobicContact CB-CB 4.43Å; R367-V422 PolarHBondContact O-N 2.59Å; R369-V422 HydrophobicContact CB-CG2 3.65Å; E420-V422 PolarHBondContact O-N 3.36Å; V422-A424 PolarHBondContact O-N 3.13Å
423G61.2Low83.5Confident64 Ų6462.7 Ų62.766%0.6641%0.41SS*.  trans-53137.7175.400000110.6C421C421-G423 PolarHBondContact O-N 3.06Å
424A37.8Very low82.6Confident178 Ų17864 Ų64100%1.47142%0.424SS*.  trans-64.80169.600000111.4V422V422-A424 PolarHBondContact O-N 3.13Å

Retrieved 424 of 424 residues in 486.8 ms (Link to these results)

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