A0A060XSU2_ONCMY Loading...

UBA domain-containing protein

AlphaFold DB , UniProt , Accession A0A060XSU2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 603 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M72.8Confident86.2Confident54 Ų5431.5 Ų31.527%0.26617%0.172SC..  0-67.70-53-53.6-98.500111.9E3 M4 H5 L290 L341 L345 Y594M1-E3 PolarHBondContact O-N 3.22Å; M1-M4 PolarHBondContact O-N 3.43Å; M1-M4 VanDerWaalsContact O-N 3.15Å; M1-H5 PolarHBondContact O-N 3Å; M1-H5 VanDerWaalsContact O-N 3.15Å; M1-L290 HydrophobicContact CE-CD2 4.5Å; M1-L290 HydrophobicContact SD-CD2 3.53Å; M1-L290 VanDerWaalsContact SD-CD2 3.53Å; M1-L341 HydrophobicContact CE-CD1 3.41Å; M1-L341 VanDerWaalsContact CE-CD1 3.41Å; M1-L341 HydrophobicContact CE-CD2 3.85Å; M1-L341 HydrophobicContact CE-CG 3.74Å; M1-L345 HydrophobicContact CB-CD2 4.19Å; M1-L345 HydrophobicContact CE-CD1 3.61Å; M1-L345 HydrophobicContact CE-CD2 3.84Å; M1-L345 HydrophobicContact CE-CG 3.99Å; M1-L345 HydrophobicContact SD-CD1 4.08Å; M1-L345 HydrophobicContact SD-CD2 3.68Å; M1-L345 HydrophobicContact SD-CG 4.41Å; M1-Y594 HydrophobicContact CB-CE2 3.9Å; M1-Y594 HydrophobicContact CG-CE2 4.2Å
2A75.3Confident86.7Confident32 Ų3235 Ų3526%0.26419%0.191SC..Hα-helixtrans-56.3-44.5-17700000114.8M4 H5 I6A2-M4 VanDerWaalsContact C-N 3.33Å; A2-M4 PolarHBondContact O-N 3.13Å; A2-H5 WeakPolarHBondContact O-CB 3.28Å; A2-H5 PolarHBondContact O-N 3Å; A2-I6 WeakPolarHBondContact O-CG1 3.18Å; A2-I6 PolarHBondContact O-N 3.37Å; A2-I6 VanDerWaalsContact O-N 3.09Å
3E80.1Confident87.3Confident74 Ų7434 Ų3435%0.34619%0.185SC..Hα-helixtrans-61.9-39.7177.8-168-171.816000112.4M1 H5 I6 Q7 S62M1-E3 PolarHBondContact O-N 3.22Å; E3-H5 VanDerWaalsContact C-N 3.33Å; E3-H5 PolarHBondContact O-N 2.95Å; E3-I6 PolarHBondContact O-N 2.9Å; E3-Q7 WeakPolarHBondContact O-CB 3.44Å; E3-Q7 VanDerWaalsContact O-CG 3.29Å; E3-Q7 WeakPolarHBondContact O-CG 3.37Å; E3-Q7 PolarHBondContact O-N 3.26Å; E3-Q7 PolarHBondContact OE1-NE2 3.03Å; E3-S62 PolarHBondContact OE1-OG 3Å
4M81.4Confident87.9Confident56 Ų5632.3 Ų32.328%0.27618%0.176SC..Hα-helixtrans-64.7-39.8177-84.4-166.364.900112.2M1 A2 Q7 A8 L290 L293 L345M1-M4 PolarHBondContact O-N 3.43Å; M1-M4 VanDerWaalsContact O-N 3.15Å; A2-M4 VanDerWaalsContact C-N 3.33Å; A2-M4 PolarHBondContact O-N 3.13Å; M4-Q7 PolarHBondContact O-N 3.47Å; M4-A8 WeakPolarHBondContact O-CB 3.44Å; M4-A8 PolarHBondContact O-N 3.49Å; M4-L290 HydrophobicContact SD-CB 3.95Å; M4-L290 HydrophobicContact SD-CD1 3.75Å; M4-L290 HydrophobicContact SD-CD2 4.15Å; M4-L290 HydrophobicContact SD-CG 4.14Å; M4-L293 HydrophobicContact CE-CD1 3.38Å; M4-L293 HydrophobicContact SD-CD1 4.41Å; M4-L345 HydrophobicContact CB-CD2 4.23Å
5H87.8Confident88.4Confident0 Ų039.7 Ų39.70%021%0.206CC..Hα-helixtrans-60.1-47.317617175.4000111.5M1 A2 E3 Q7 A8 K9 F51 Y344 E349 N598M1-H5 PolarHBondContact O-N 3Å; M1-H5 VanDerWaalsContact O-N 3.15Å; A2-H5 WeakPolarHBondContact O-CB 3.28Å; A2-H5 PolarHBondContact O-N 3Å; E3-H5 VanDerWaalsContact C-N 3.33Å; E3-H5 PolarHBondContact O-N 2.95Å; H5-Q7 PolarHBondContact O-N 3.45Å; H5-A8 PolarHBondContact O-N 2.96Å; H5-K9 WeakPolarHBondContact NE2-CD 3.47Å; H5-K9 PolarHBondContact O-N 3.28Å; H5-K9 VanDerWaalsContact O-N 3.1Å; H5-F51 AromaticContact CD2-CE2 3.89Å; H5-F51 AromaticContact CD2-CZ 3.58Å; H5-F51 AromaticContact NE2-CE2 3.94Å; H5-F51 AromaticContact NE2-CZ 3.85Å; H5-Y344 HydrophobicContact CB-CD1 4.13Å; H5-Y344 HydrophobicContact CB-CE1 3.58Å; H5-Y344 HydrophobicContact CB-CE2 4.35Å; H5-Y344 AromaticContact CD2-CE2 3.81Å; H5-Y344 AromaticContact CD2-CZ 3.73Å; H5-Y344 AromaticContact CE1-CD2 3.83Å; H5-Y344 AromaticContact CE1-CE2 3.66Å; H5-Y344 AromaticContact CG-CE1 3.8Å; H5-Y344 AromaticContact CG-CE2 3.65Å; H5-Y344 AromaticContact CG-CZ 3.45Å; H5-Y344 VanDerWaalsContact CG-CZ 3.45Å; H5-Y344 AromaticContact ND1-CD2 3.63Å; H5-Y344 AromaticContact ND1-CE2 3.57Å; H5-Y344 AromaticContact ND1-CG 3.96Å; H5-Y344 AromaticContact ND1-CZ 3.83Å; H5-Y344 PolarHBondContact ND1-O 2.97Å; H5-Y344 AromaticContact NE2-CE2 3.82Å; H5-E349 VanDerWaalsContact CE1-CG 3.44Å; H5-E349 WeakPolarHBondContact CE1-CG 2.94Å; H5-E349 IonicContact CE1-OE1 3.5Å; H5-E349 PolarHBondContact CE1-OE1 3.44Å; H5-E349 IonicContact NE2-OE1 2.99Å; H5-E349 PolarHBondContact NE2-OE1 2.92Å; H5-N598 PolarHBondContact NE2-ND2 3.1Å
6I89.8Confident88.7Confident9 Ų945.9 Ų45.95%0.04623%0.233CC..Hα-helixtrans-59.5-48174.3-60.3169.5000110A2 E3 A8 K9 L10 F51 E55 A59A2-I6 WeakPolarHBondContact O-CG1 3.18Å; A2-I6 PolarHBondContact O-N 3.37Å; A2-I6 VanDerWaalsContact O-N 3.09Å; E3-I6 PolarHBondContact O-N 2.9Å; I6-A8 VanDerWaalsContact C-N 3.31Å; I6-A8 PolarHBondContact O-N 2.93Å; I6-K9 PolarHBondContact O-N 3.46Å; I6-L10 HydrophobicContact CG2-CD1 3.7Å; I6-L10 HydrophobicContact CG2-CG 4.22Å; I6-L10 WeakPolarHBondContact O-CB 3.15Å; I6-L10 VanDerWaalsContact O-CG 3.26Å; I6-L10 WeakPolarHBondContact O-CG 3.46Å; I6-L10 PolarHBondContact O-N 3.29Å; I6-F51 HydrophobicContact CD1-CD1 3.73Å; I6-F51 HydrophobicContact CD1-CD2 4.48Å; I6-F51 HydrophobicContact CD1-CE1 3.9Å; I6-F51 HydrophobicContact CD1-CG 4.05Å; I6-F51 HydrophobicContact CD1-CZ 4.36Å; I6-F51 HydrophobicContact CG1-CD1 3.88Å; I6-F51 HydrophobicContact CG1-CD2 3.85Å; I6-F51 HydrophobicContact CG1-CE1 3.77Å; I6-F51 HydrophobicContact CG1-CE2 3.74Å; I6-F51 HydrophobicContact CG1-CG 3.93Å; I6-F51 HydrophobicContact CG1-CZ 3.7Å; I6-E55 HydrophobicContact CD1-CB 4.17Å; I6-A59 HydrophobicContact CB-CB 4.32Å; I6-A59 HydrophobicContact CG2-CB 3.55Å
7Q90.9Very high89.1Confident24 Ų2448.5 Ų48.511%0.11225%0.248CC..Hα-helixtrans-58.6-41.7178.9-72.7179.920.100112E3 M4 H5 L10 V11 A59 S62 I63E3-Q7 WeakPolarHBondContact O-CB 3.44Å; E3-Q7 VanDerWaalsContact O-CG 3.29Å; E3-Q7 WeakPolarHBondContact O-CG 3.37Å; E3-Q7 PolarHBondContact O-N 3.26Å; E3-Q7 PolarHBondContact OE1-NE2 3.03Å; M4-Q7 PolarHBondContact O-N 3.47Å; H5-Q7 PolarHBondContact O-N 3.45Å; Q7-L10 PolarHBondContact O-N 3.22Å; Q7-V11 WeakPolarHBondContact O-CB 3.43Å; Q7-V11 WeakPolarHBondContact O-CG2 3.21Å; Q7-V11 PolarHBondContact O-N 3.11Å; Q7-A59 HydrophobicContact CG-CB 4.23Å; Q7-S62 PolarHBondContact NE2-OG 3.45Å; Q7-S62 VanDerWaalsContact NE2-OG 3.08Å; Q7-I63 HydrophobicContact CB-CD1 4.26Å; Q7-I63 HydrophobicContact CB-CG1 4.22Å; Q7-I63 HydrophobicContact CG-CD1 4.3Å; Q7-I63 HydrophobicContact CG-CG1 3.98Å
8A90Very high89.5Confident21 Ų2156.1 Ų56.117%0.17428%0.279CS..Hα-helixtrans-64.1-45.7179.100000112.1M4 H5 I6 L10 V11 N12 L345M4-A8 WeakPolarHBondContact O-CB 3.44Å; M4-A8 PolarHBondContact O-N 3.49Å; H5-A8 PolarHBondContact O-N 2.96Å; I6-A8 VanDerWaalsContact C-N 3.31Å; I6-A8 PolarHBondContact O-N 2.93Å; A8-L10 PolarHBondContact O-N 2.99Å; A8-V11 PolarHBondContact O-N 3.13Å; A8-N12 PolarHBondContact O-N 3.48Å; A8-N12 VanDerWaalsContact O-N 3.13Å; A8-N12 PolarHBondContact O-ND2 2.78Å; A8-L345 WeakPolarHBondContact CB-O 3.26Å
9K92.1Very high89.8Confident28 Ų2854.8 Ų54.812%0.12227%0.273CS..Hα-helixtrans-59-47.3174.2-68.9179.189.1169.20111.2H5 I6 N12 L13 V49 F51 E349H5-K9 WeakPolarHBondContact NE2-CD 3.47Å; H5-K9 PolarHBondContact O-N 3.28Å; H5-K9 VanDerWaalsContact O-N 3.1Å; I6-K9 PolarHBondContact O-N 3.46Å; K9-N12 PolarHBondContact O-N 3.03Å; K9-L13 PolarHBondContact O-N 2.85Å; K9-L13 VanDerWaalsContact O-N 3.09Å; K9-V49 HydrophobicContact CB-CB 4.45Å; K9-V49 HydrophobicContact CB-CG1 3.88Å; K9-V49 HydrophobicContact CD-CB 4.43Å; K9-V49 PolarHBondContact NZ-O 2.99Å; K9-F51 HydrophobicContact CD-CE2 4.23Å; K9-E349 IonicContact NZ-OE1 2.78Å; K9-E349 PolarHBondContact NZ-OE1 2.74Å; K9-E349 IonicContact NZ-OE2 3.78Å; K9-E349 PolarHBondContact NZ-OE2 3.33Å
10L94.6Very high90Very high0 Ų056.7 Ų56.70%028%0.281CS..Hα-helixtrans-64.5-41.5179.4-66.9172.1000112.4I6 Q7 A8 N12 L13 L14 Y45 V49 V56 A59 L60 I63I6-L10 HydrophobicContact CG2-CD1 3.7Å; I6-L10 HydrophobicContact CG2-CG 4.22Å; I6-L10 WeakPolarHBondContact O-CB 3.15Å; I6-L10 VanDerWaalsContact O-CG 3.26Å; I6-L10 WeakPolarHBondContact O-CG 3.46Å; I6-L10 PolarHBondContact O-N 3.29Å; Q7-L10 PolarHBondContact O-N 3.22Å; A8-L10 PolarHBondContact O-N 2.99Å; L10-N12 PolarHBondContact O-N 2.71Å; L10-L13 PolarHBondContact O-N 3.21Å; L10-L14 WeakPolarHBondContact O-CB 3.38Å; L10-L14 WeakPolarHBondContact O-CD1 3.49Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.22Å; L10-Y45 HydrophobicContact CD2-CD2 3.73Å; L10-Y45 HydrophobicContact CD2-CG 4.26Å; L10-V49 HydrophobicContact CD2-CG1 4.02Å; L10-V49 HydrophobicContact CD2-CG2 4.45Å; L10-V56 HydrophobicContact CD1-CG1 4.15Å; L10-V56 HydrophobicContact CD2-CG1 3.72Å; L10-A59 HydrophobicContact CD1-CB 3.53Å; L10-L60 HydrophobicContact CB-CD2 4.39Å; L10-L60 HydrophobicContact CD1-CD2 4.14Å; L10-L60 HydrophobicContact CD1-CG 4.05Å; L10-L60 HydrophobicContact CD2-CD2 4.31Å; L10-I63 HydrophobicContact CB-CD1 3.73Å; L10-I63 HydrophobicContact CD1-CD1 4.2Å
11V93.6Very high90.3Very high48 Ų4854.1 Ų54.129%0.29127%0.268SS..Hα-helixtrans-59.4-38.3175.9165.80000111.2Q7 A8 K15 I63Q7-V11 WeakPolarHBondContact O-CB 3.43Å; Q7-V11 WeakPolarHBondContact O-CG2 3.21Å; Q7-V11 PolarHBondContact O-N 3.11Å; A8-V11 PolarHBondContact O-N 3.13Å; V11-K15 HydrophobicContact CG1-CD 4.28Å; V11-K15 VanDerWaalsContact O-CG 3.25Å; V11-K15 WeakPolarHBondContact O-CG 3.41Å; V11-K15 PolarHBondContact O-N 2.7Å; V11-K15 VanDerWaalsContact O-N 3.07Å; V11-I63 HydrophobicContact CG2-CD1 3.97Å; V11-I63 HydrophobicContact CG2-CG1 4.28Å; V11-I63 HydrophobicContact CG2-CG2 4.26Å
12N92.3Very high91.3Very high74 Ų7457.4 Ų57.440%0.39628%0.277SS..Hα-helixtrans-67.7-43.2176.1-70.9-24.3000112.1A8 K9 L10 K15 Q16A8-N12 PolarHBondContact O-N 3.48Å; A8-N12 VanDerWaalsContact O-N 3.13Å; A8-N12 PolarHBondContact O-ND2 2.78Å; K9-N12 PolarHBondContact O-N 3.03Å; L10-N12 PolarHBondContact O-N 2.71Å; N12-K15 PolarHBondContact O-N 2.77Å; N12-Q16 WeakPolarHBondContact O-CG 3.37Å; N12-Q16 PolarHBondContact O-N 3.14Å
13L94.4Very high92.1Very high22 Ų2258.9 Ų58.912%0.11528%0.281CS..Hα-helixtrans-62.6-46.9175-69.2176.2000112.2K9 L10 K15 Q16 D17 Y45 I48 V49K9-L13 PolarHBondContact O-N 2.85Å; K9-L13 VanDerWaalsContact O-N 3.09Å; L10-L13 PolarHBondContact O-N 3.21Å; L13-K15 PolarHBondContact O-N 3.33Å; L13-Q16 WeakPolarHBondContact O-CB 3.2Å; L13-Q16 PolarHBondContact O-N 3.45Å; L13-D17 PolarHBondContact O-N 2.85Å; L13-Y45 HydrophobicContact CB-CD2 4.46Å; L13-Y45 HydrophobicContact CB-CE1 4.24Å; L13-Y45 HydrophobicContact CB-CE2 4.04Å; L13-Y45 HydrophobicContact CD1-CD1 4.12Å; L13-Y45 HydrophobicContact CD1-CD2 4.35Å; L13-Y45 HydrophobicContact CD1-CE1 4.48Å; L13-Y45 HydrophobicContact CD1-CG 4.03Å; L13-I48 HydrophobicContact CD1-CB 4.29Å; L13-I48 HydrophobicContact CD1-CG2 3.97Å; L13-I48 HydrophobicContact CD2-CG2 3.96Å; L13-V49 HydrophobicContact CD1-CG1 3.46Å; L13-V49 VanDerWaalsContact CD1-CG1 3.46Å
14L96.1Very high92.7Very high10 Ų1060.4 Ų60.45%0.05230%0.297CS..Hα-helixtrans-57-38.8176.5-70.1165.9000111.7L10 K18 I19 L21 L41 Y45 L60 I63L10-L14 WeakPolarHBondContact O-CB 3.38Å; L10-L14 WeakPolarHBondContact O-CD1 3.49Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.22Å; L14-K18 CarbonylContact O-C 3.57Å; L14-K18 WeakPolarHBondContact O-CA 3.26Å; L14-K18 PolarHBondContact O-N 2.98Å; L14-I19 HydrophobicContact CD2-CB 3.79Å; L14-I19 HydrophobicContact CD2-CG2 3.62Å; L14-I19 PolarHBondContact O-N 3.43Å; L14-L21 HydrophobicContact CD1-CD1 3.64Å; L14-L21 HydrophobicContact CD1-CG 4.07Å; L14-L21 HydrophobicContact CD2-CD1 4.25Å; L14-L21 HydrophobicContact CD2-CD2 3.89Å; L14-L21 HydrophobicContact CD2-CG 3.97Å; L14-L41 HydrophobicContact CD2-CD2 3.79Å; L14-Y45 HydrophobicContact CD2-CE2 3.87Å; L14-Y45 HydrophobicContact CG-CE2 4.12Å; L14-L60 HydrophobicContact CD1-CD2 4.14Å; L14-L60 HydrophobicContact CD2-CD2 4.33Å; L14-I63 HydrophobicContact CD1-CD1 4.25Å; L14-I63 HydrophobicContact CD1-CG2 4.27Å
15K94.1Very high93.3Very high144 Ų14461.4 Ų61.463%0.62631%0.308SS*.Hα-helixtrans-66.9-42.8174.9-75.7171.6-178175.30112.2V11 N12 L13 D17 K18V11-K15 HydrophobicContact CG1-CD 4.28Å; V11-K15 VanDerWaalsContact O-CG 3.25Å; V11-K15 WeakPolarHBondContact O-CG 3.41Å; V11-K15 PolarHBondContact O-N 2.7Å; V11-K15 VanDerWaalsContact O-N 3.07Å; N12-K15 PolarHBondContact O-N 2.77Å; L13-K15 PolarHBondContact O-N 3.33Å; K15-D17 VanDerWaalsContact C-N 3.34Å; K15-K18 PolarHBondContact O-N 2.95Å
16Q94.4Very high93.6Very high138 Ų13863.5 Ų63.565%0.64532%0.316SS*.Hα-helixtrans-61.5-44.1177.7-71.9171.64.100111.1N12 L13 K18N12-Q16 WeakPolarHBondContact O-CG 3.37Å; N12-Q16 PolarHBondContact O-N 3.14Å; L13-Q16 WeakPolarHBondContact O-CB 3.2Å; L13-Q16 PolarHBondContact O-N 3.45Å; Q16-K18 PolarHBondContact O-N 3.01Å
17D95.3Very high93.8Very high90 Ų9063.3 Ų63.348%0.48132%0.315SS..THydrogen-bonded Turntrans-82.1-1.1179-65.6-15.3000113.2L13 K15 I19 Y45L13-D17 PolarHBondContact O-N 2.85Å; K15-D17 VanDerWaalsContact C-N 3.34Å; D17-I19 HydrophobicContact CB-CD1 3.8Å; D17-I19 HydrophobicContact CB-CG1 3.86Å; D17-I19 PolarHBondContact O-N 2.85Å; D17-Y45 VanDerWaalsContact OD2-CE1 3.22Å; D17-Y45 WeakPolarHBondContact OD2-CE1 3.31Å; D17-Y45 VanDerWaalsContact OD2-CZ 3.29Å; D17-Y45 PolarHBondContact OD2-OH 3.09Å
18K95.5Very high93.9Very high185 Ų18565 Ų6580%0.80433%0.327SS*.THydrogen-bonded Turntrans55.233.9-177.5-57176.7-179.3175.30113.3L14 K15 Q16L14-K18 CarbonylContact O-C 3.57Å; L14-K18 WeakPolarHBondContact O-CA 3.26Å; L14-K18 PolarHBondContact O-N 2.98Å; K15-K18 PolarHBondContact O-N 2.95Å; Q16-K18 PolarHBondContact O-N 3.01Å
19I95.8Very high93.8Very high33 Ų3373.1 Ų73.117%0.16936%0.362CS..  trans-87126.9-179.7-65.6176000110.5L14 D17 L21 Y26 L41L14-I19 HydrophobicContact CD2-CB 3.79Å; L14-I19 HydrophobicContact CD2-CG2 3.62Å; L14-I19 PolarHBondContact O-N 3.43Å; D17-I19 HydrophobicContact CB-CD1 3.8Å; D17-I19 HydrophobicContact CB-CG1 3.86Å; D17-I19 PolarHBondContact O-N 2.85Å; I19-L21 HydrophobicContact CG2-CD2 3.98Å; I19-Y26 HydrophobicContact CG2-CD2 4.07Å; I19-Y26 HydrophobicContact CG2-CE1 4.49Å; I19-Y26 HydrophobicContact CG2-CE2 3.46Å; I19-Y26 VanDerWaalsContact CG2-CE2 3.46Å; I19-L41 HydrophobicContact CD1-CD1 3.66Å; I19-L41 HydrophobicContact CD1-CD2 4.46Å; I19-L41 HydrophobicContact CG2-CD2 4.4Å
20Q94.8Very high93.6Very high91 Ų9178 Ų7843%0.42539%0.389SS..  trans-109101.4174.7-65-173.1-10.100109.5W22 N23Q20-W22 HydrophobicContact CB-CD2 4.09Å; Q20-W22 HydrophobicContact CB-CE3 4.28Å; Q20-W22 HydrophobicContact CB-CH2 3.94Å; Q20-W22 HydrophobicContact CB-CZ2 3.68Å; Q20-W22 HydrophobicContact CB-CZ3 4.22Å; Q20-W22 HydrophobicContact CG-CH2 3.7Å; Q20-W22 HydrophobicContact CG-CZ2 3.49Å; Q20-W22 VanDerWaalsContact CG-CZ2 3.49Å; Q20-W22 HydrophobicContact CG-CZ3 4.41Å; Q20-W22 PolarHBondContact O-N 3.42Å; Q20-W22 VanDerWaalsContact O-N 3.16Å; Q20-N23 HydrophobicContact CB-CB 4.46Å; Q20-N23 PolarHBondContact O-N 2.87Å; Q20-N23 VanDerWaalsContact O-N 3.09Å; Q20-N23 PolarHBondContact OE1-ND2 2.86Å
21L94.8Very high93.3Very high3 Ų381.7 Ų81.72%0.01641%0.409CS..THydrogen-bonded Turntrans-63.6-22.7-175.1-66.3-179.1000113.8L14 I19 N23 Y26 T27 L38 L41 L60 I63 R64L14-L21 HydrophobicContact CD1-CD1 3.64Å; L14-L21 HydrophobicContact CD1-CG 4.07Å; L14-L21 HydrophobicContact CD2-CD1 4.25Å; L14-L21 HydrophobicContact CD2-CD2 3.89Å; L14-L21 HydrophobicContact CD2-CG 3.97Å; I19-L21 HydrophobicContact CG2-CD2 3.98Å; L21-N23 PolarHBondContact O-N 3.24Å; L21-Y26 HydrophobicContact CD2-CD1 4Å; L21-Y26 HydrophobicContact CD2-CD2 4.33Å; L21-Y26 HydrophobicContact CD2-CG 3.88Å; L21-Y26 VanDerWaalsContact O-CB 3.31Å; L21-Y26 WeakPolarHBondContact O-CB 3.49Å; L21-T27 PolarHBondContact O-OG1 3.01Å; L21-L38 HydrophobicContact CD2-CD2 4.03Å; L21-L41 HydrophobicContact CD2-CD2 3.8Å; L21-L60 HydrophobicContact CD1-CD2 4.1Å; L21-I63 HydrophobicContact CD1-CB 4.03Å; L21-I63 HydrophobicContact CD1-CG2 3.85Å; L21-R64 HydrophobicContact CB-CB 3.91Å; L21-R64 HydrophobicContact CB-CG 3.99Å; L21-R64 HydrophobicContact CD1-CB 4.2Å; L21-R64 WeakPolarHBondContact O-CG 3.49Å
22W93.7Very high93.2Very high123 Ų12385.4 Ų85.447%0.46642%0.423SS..THydrogen-bonded Turntrans-78.8-3.4177.960.687.1000113.9Q20 A67 V68Q20-W22 HydrophobicContact CB-CD2 4.09Å; Q20-W22 HydrophobicContact CB-CE3 4.28Å; Q20-W22 HydrophobicContact CB-CH2 3.94Å; Q20-W22 HydrophobicContact CB-CZ2 3.68Å; Q20-W22 HydrophobicContact CB-CZ3 4.22Å; Q20-W22 HydrophobicContact CG-CH2 3.7Å; Q20-W22 HydrophobicContact CG-CZ2 3.49Å; Q20-W22 VanDerWaalsContact CG-CZ2 3.49Å; Q20-W22 HydrophobicContact CG-CZ3 4.41Å; Q20-W22 PolarHBondContact O-N 3.42Å; Q20-W22 VanDerWaalsContact O-N 3.16Å; W22-A67 HydrophobicContact CB-CB 4.26Å; W22-A67 HydrophobicContact CD2-CB 4.29Å; W22-A67 HydrophobicContact CE3-CB 3.57Å; W22-A67 HydrophobicContact CZ3-CB 4.29Å; W22-V68 HydrophobicContact CB-CG2 3.85Å
23N93.1Very high93.1Very high63 Ų6383.3 Ų83.334%0.33742%0.416SS..SBendtrans-104.8164.1175.9-68.3-15.7000111.6Q20 L21 Y26 T27Q20-N23 HydrophobicContact CB-CB 4.46Å; Q20-N23 PolarHBondContact O-N 2.87Å; Q20-N23 VanDerWaalsContact O-N 3.09Å; Q20-N23 PolarHBondContact OE1-ND2 2.86Å; L21-N23 PolarHBondContact O-N 3.24Å; N23-Y26 PolarHBondContact O-N 2.95Å; N23-Y26 VanDerWaalsContact O-N 3.07Å; N23-T27 PolarHBondContact O-N 3.34Å
24P92.3Very high92.9Very high106 Ų10682.7 Ų82.769%0.68842%0.415SS*.THydrogen-bonded Turntrans-56.6144.8166.1-23.934.7000111.6
25P94.2Very high92.6Very high78 Ų7889.8 Ų89.851%0.50645%0.448SS..THydrogen-bonded Turncis-88.1-03.937.1-37.8000114.2P37P25-P37 HydrophobicContact CB-CB 4.28Å; P25-P37 HydrophobicContact CB-CG 3.8Å; P25-P37 HydrophobicContact CG-CB 4.05Å; P25-P37 HydrophobicContact CG-CG 4.08Å
26Y94.9Very high92.6Very high43 Ų4390.4 Ų90.417%0.16945%0.453CS..THydrogen-bonded Turntrans-78.3-26.9-173.4-53.2-73.8000113.8I19 L21 N23 G34 P37 L38 L41 R64I19-Y26 HydrophobicContact CG2-CD2 4.07Å; I19-Y26 HydrophobicContact CG2-CE1 4.49Å; I19-Y26 HydrophobicContact CG2-CE2 3.46Å; I19-Y26 VanDerWaalsContact CG2-CE2 3.46Å; L21-Y26 HydrophobicContact CD2-CD1 4Å; L21-Y26 HydrophobicContact CD2-CD2 4.33Å; L21-Y26 HydrophobicContact CD2-CG 3.88Å; L21-Y26 VanDerWaalsContact O-CB 3.31Å; L21-Y26 WeakPolarHBondContact O-CB 3.49Å; N23-Y26 PolarHBondContact O-N 2.95Å; N23-Y26 VanDerWaalsContact O-N 3.07Å; Y26-G34 PolarHBondContact O-N 2.81Å; Y26-P37 HydrophobicContact CD1-CB 3.84Å; Y26-P37 HydrophobicContact CE1-CB 4.02Å; Y26-L38 HydrophobicContact CD1-CD2 4.29Å; Y26-L38 HydrophobicContact CD1-CG 4.48Å; Y26-L41 HydrophobicContact CD1-CD2 4.49Å; Y26-L41 HydrophobicContact CE1-CB 4.44Å; Y26-L41 HydrophobicContact CE1-CD2 3.98Å; Y26-R64 VanDerWaalsContact O-CD 3.32Å; Y26-R64 WeakPolarHBondContact O-CD 3.21Å
27T94Very high92.5Very high5 Ų585.3 Ų85.33%0.03143%0.432CS..BIsolated β-bridgetrans-124131.2172.6-65.70000109.6L21 N23 Q32 R64 V68L21-T27 PolarHBondContact O-OG1 3.01Å; N23-T27 PolarHBondContact O-N 3.34Å; T27-Q32 WeakPolarHBondContact CA-O 3.42Å; T27-R64 WeakPolarHBondContact OG1-CD 3.38Å; T27-R64 WeakPolarHBondContact OG1-CG 3.47Å; T27-R64 PolarHBondContact OG1-NH1 3.49Å; T27-V68 HydrophobicContact CG2-CG2 3.86Å
28T91.9Very high92.5Very high59 Ų5981.5 Ų81.536%0.36241%0.411SS..  trans-79.5167.7176.468.60000111.4N30 N31 Q32T28-N30 PolarHBondContact O-N 3.32Å; T28-N30 VanDerWaalsContact O-N 3.09Å; T28-N31 PolarHBondContact O-N 3.41Å; T28-Q32 PolarHBondContact N-O 2.55Å; T28-Q32 WeakPolarHBondContact OG1-CB 3.42Å; T28-Q32 PolarHBondContact OG1-N 2.98Å; T28-Q32 PolarHBondContact OG1-O 2.89Å
29E87.6Confident92.4Very high193 Ų19377.3 Ų77.390%0.90240%0.395SS*.THydrogen-bonded Turntrans-55.6-28.6175.9-62.8-177.9175.800113N31E29-N31 PolarHBondContact O-N 2.91Å
30N88.2Confident92.4Very high129 Ų12981.9 Ų81.969%0.6942%0.415SS*.THydrogen-bonded Turntrans-86.116.6176.8-65.9-30.7000113.5T28 Q32T28-N30 PolarHBondContact O-N 3.32Å; T28-N30 VanDerWaalsContact O-N 3.09Å; N30-Q32 HydrophobicContact CB-CG 4.27Å; N30-Q32 PolarHBondContact O-N 2.91Å; N30-Q32 VanDerWaalsContact O-N 3.14Å
31N87.9Confident92.5Very high78 Ų7878 Ų7842%0.41740%0.398SS..SBendtrans61.316-176.8-67.9-46.8000114.8T28 E29 R64 V68T28-N31 PolarHBondContact O-N 3.41Å; E29-N31 PolarHBondContact O-N 2.91Å; N31-R64 PolarHBondContact O-NH1 3.39Å; N31-V68 HydrophobicContact CB-CG1 3.75Å
32Q91Very high92.5Very high126 Ų12677.9 Ų77.959%0.58940%0.397SS*.  trans-88.3160.8179.5-60.5-173.3-16.400111.8T27 T28 N30 G34T27-Q32 WeakPolarHBondContact CA-O 3.42Å; T28-Q32 PolarHBondContact N-O 2.55Å; T28-Q32 WeakPolarHBondContact OG1-CB 3.42Å; T28-Q32 PolarHBondContact OG1-N 2.98Å; T28-Q32 PolarHBondContact OG1-O 2.89Å; N30-Q32 HydrophobicContact CB-CG 4.27Å; N30-Q32 PolarHBondContact O-N 2.91Å; N30-Q32 VanDerWaalsContact O-N 3.14Å; Q32-G34 PolarHBondContact O-N 2.65Å
33A90.6Very high92.7Very high30 Ų3075.6 Ų75.625%0.24840%0.396CS..BIsolated β-bridgetrans-67.6126179.800000111.7Q35 L38 E61A33-Q35 VanDerWaalsContact C-N 3.29Å; A33-Q35 PolarHBondContact O-N 3.42Å; A33-L38 HydrophobicContact CB-CD1 3.79Å; A33-E61 WeakPolarHBondContact CB-OE2 3.31Å
34G91.6Very high92.8Very high9 Ų977.3 Ų77.39%0.09341%0.406CS..  trans-72.384.2164.200000109.7Y26 Q32 Q36 P37 L38Y26-G34 PolarHBondContact O-N 2.81Å; Q32-G34 PolarHBondContact O-N 2.65Å; G34-Q36 PolarHBondContact O-N 3.48Å; G34-P37 VanDerWaalsContact O-CD 3.27Å; G34-P37 WeakPolarHBondContact O-CD 3.11Å; G34-L38 WeakPolarHBondContact O-CB 3.36Å; G34-L38 WeakPolarHBondContact O-CG 3.42Å; G34-L38 PolarHBondContact O-N 2.97Å
35Q89.9Confident92.9Very high159 Ų15972.5 Ų72.574%0.74337%0.374SS*.Hα-helixtrans-55.3-46.8-168.8-67.9-174.8-6.400113.4A33 Q39A33-Q35 VanDerWaalsContact C-N 3.29Å; A33-Q35 PolarHBondContact O-N 3.42Å; Q35-Q39 VanDerWaalsContact O-CB 3.26Å; Q35-Q39 WeakPolarHBondContact O-CB 3.26Å; Q35-Q39 PolarHBondContact O-N 2.95Å
36Q92.8Very high92.9Very high158 Ų15869.2 Ų69.274%0.73835%0.353SS*.Hα-helixtrans-66.4-51.2-179.1-70.8-176.8-6.800112.8G34 L38 Q39 Q40G34-Q36 PolarHBondContact O-N 3.48Å; Q36-L38 VanDerWaalsContact C-N 3.34Å; Q36-L38 PolarHBondContact O-N 2.87Å; Q36-Q39 PolarHBondContact O-N 3.31Å; Q36-Q40 WeakPolarHBondContact O-CG 3.44Å; Q36-Q40 PolarHBondContact O-N 3.2Å
37P93.7Very high92.8Very high30 Ų3071.6 Ų71.620%0.19537%0.374CS..Hα-helixtrans-57.4-41.4174.4-2732.4000114.2P25 Y26 G34 Q40 L41P25-P37 HydrophobicContact CB-CB 4.28Å; P25-P37 HydrophobicContact CB-CG 3.8Å; P25-P37 HydrophobicContact CG-CB 4.05Å; P25-P37 HydrophobicContact CG-CG 4.08Å; Y26-P37 HydrophobicContact CD1-CB 3.84Å; Y26-P37 HydrophobicContact CE1-CB 4.02Å; G34-P37 VanDerWaalsContact O-CD 3.27Å; G34-P37 WeakPolarHBondContact O-CD 3.11Å; P37-Q40 PolarHBondContact O-N 3.32Å; P37-L41 WeakPolarHBondContact O-CB 3.22Å; P37-L41 PolarHBondContact O-N 2.92Å
38L93.9Very high92.6Very high10 Ų1076.1 Ų76.15%0.05240%0.397CS..Hα-helixtrans-65.9-40.6177.2-75.7165.1000111.8L21 Y26 A33 G34 Q36 L41 A42 L60 E61L21-L38 HydrophobicContact CD2-CD2 4.03Å; Y26-L38 HydrophobicContact CD1-CD2 4.29Å; Y26-L38 HydrophobicContact CD1-CG 4.48Å; A33-L38 HydrophobicContact CB-CD1 3.79Å; G34-L38 WeakPolarHBondContact O-CB 3.36Å; G34-L38 WeakPolarHBondContact O-CG 3.42Å; G34-L38 PolarHBondContact O-N 2.97Å; Q36-L38 VanDerWaalsContact C-N 3.34Å; Q36-L38 PolarHBondContact O-N 2.87Å; L38-L41 PolarHBondContact O-N 3.27Å; L38-A42 WeakPolarHBondContact O-CB 3.42Å; L38-A42 PolarHBondContact O-N 3.46Å; L38-L60 HydrophobicContact CD2-CB 4.26Å; L38-E61 WeakPolarHBondContact CD1-OE2 3.44Å
39Q94.6Very high92.5Very high97 Ų9773.4 Ų73.445%0.45338%0.38SS..Hα-helixtrans-65.2-42.1177.5-172.563.525.400111.5Q35 Q36 L41 A42 V43Q35-Q39 VanDerWaalsContact O-CB 3.26Å; Q35-Q39 WeakPolarHBondContact O-CB 3.26Å; Q35-Q39 PolarHBondContact O-N 2.95Å; Q36-Q39 PolarHBondContact O-N 3.31Å; Q39-L41 VanDerWaalsContact C-N 3.34Å; Q39-A42 WeakPolarHBondContact O-CB 3.27Å; Q39-A42 PolarHBondContact O-N 3.37Å; Q39-V43 WeakPolarHBondContact O-CG2 3.5Å; Q39-V43 PolarHBondContact O-N 3.37Å
40Q95.3Very high92.5Very high129 Ų12967.8 Ų67.860%0.60336%0.361SS*.Hα-helixtrans-61.5-44.3174.5-74.1178.2-6.700111.3Q36 P37 A42 V43 N44Q36-Q40 WeakPolarHBondContact O-CG 3.44Å; Q36-Q40 PolarHBondContact O-N 3.2Å; P37-Q40 PolarHBondContact O-N 3.32Å; Q40-A42 VanDerWaalsContact C-N 3.29Å; Q40-A42 PolarHBondContact O-N 3.44Å; Q40-V43 PolarHBondContact O-N 2.88Å; Q40-N44 VanDerWaalsContact O-CG 3.25Å; Q40-N44 PolarHBondContact O-N 3.07Å; Q40-N44 PolarHBondContact O-OD1 3.38Å
41L95.8Very high92.6Very high10 Ų1062.7 Ų62.75%0.05233%0.333CS..Hα-helixtrans-62.6-38.8176.7-165.766.9000111.7L14 I19 L21 Y26 P37 L38 Q39 N44 Y45 L60L14-L41 HydrophobicContact CD2-CD2 3.79Å; I19-L41 HydrophobicContact CD1-CD1 3.66Å; I19-L41 HydrophobicContact CD1-CD2 4.46Å; I19-L41 HydrophobicContact CG2-CD2 4.4Å; L21-L41 HydrophobicContact CD2-CD2 3.8Å; Y26-L41 HydrophobicContact CD1-CD2 4.49Å; Y26-L41 HydrophobicContact CE1-CB 4.44Å; Y26-L41 HydrophobicContact CE1-CD2 3.98Å; P37-L41 WeakPolarHBondContact O-CB 3.22Å; P37-L41 PolarHBondContact O-N 2.92Å; L38-L41 PolarHBondContact O-N 3.27Å; Q39-L41 VanDerWaalsContact C-N 3.34Å; L41-N44 PolarHBondContact O-N 3.46Å; L41-Y45 HydrophobicContact CD1-CD2 4.23Å; L41-Y45 HydrophobicContact CD1-CE1 4.06Å; L41-Y45 HydrophobicContact CD1-CE2 3.73Å; L41-Y45 HydrophobicContact CD2-CD2 4.5Å; L41-Y45 HydrophobicContact CD2-CE2 4.03Å; L41-Y45 HydrophobicContact CG-CD2 3.93Å; L41-Y45 HydrophobicContact CG-CE2 3.74Å; L41-Y45 WeakPolarHBondContact O-CB 3.44Å; L41-Y45 PolarHBondContact O-N 3.24Å; L41-L60 HydrophobicContact CB-CD1 4.09Å; L41-L60 HydrophobicContact CD2-CD1 4.09Å; L41-L60 HydrophobicContact CD2-CD2 4.09Å; L41-L60 HydrophobicContact CG-CD1 4.05Å
42A96.2Very high92.8Very high0 Ų060.7 Ų60.70%033%0.325CS..Hα-helixtrans-63.2-42.8175.800000112.5L38 Q39 Q40 N44 Y45 A46 V53 V56 A57 L60L38-A42 WeakPolarHBondContact O-CB 3.42Å; L38-A42 PolarHBondContact O-N 3.46Å; Q39-A42 WeakPolarHBondContact O-CB 3.27Å; Q39-A42 PolarHBondContact O-N 3.37Å; Q40-A42 VanDerWaalsContact C-N 3.29Å; Q40-A42 PolarHBondContact O-N 3.44Å; A42-N44 VanDerWaalsContact C-N 3.31Å; A42-N44 PolarHBondContact O-N 3.23Å; A42-Y45 PolarHBondContact O-N 3.4Å; A42-A46 WeakPolarHBondContact O-CB 3.39Å; A42-A46 PolarHBondContact O-N 2.93Å; A42-V53 HydrophobicContact CB-CG1 4.1Å; A42-V56 HydrophobicContact CB-CB 4.39Å; A42-V56 HydrophobicContact CB-CG1 4.01Å; A42-A57 HydrophobicContact CB-CB 3.71Å; A42-L60 HydrophobicContact CB-CD1 3.98Å
43V96.5Very high92.9Very high75 Ų7557.1 Ų57.146%0.45531%0.312SS..Hα-helixtrans-61.5-40.8175.2170.90000111.1Q39 Q40 P47 V53Q39-V43 WeakPolarHBondContact O-CG2 3.5Å; Q39-V43 PolarHBondContact O-N 3.37Å; Q40-V43 PolarHBondContact O-N 2.88Å; V43-P47 WeakPolarHBondContact O-CD 3.44Å; V43-V53 HydrophobicContact CG2-CG1 3.8Å; V43-V53 HydrophobicContact CG2-CG2 4.44Å
44N95.1Very high93Very high100 Ų10060.3 Ų60.354%0.53533%0.332SS..Hα-helixtrans-69.8-39.6179.9-66.4-12.4000112.5Q40 L41 A42 P47Q40-N44 VanDerWaalsContact O-CG 3.25Å; Q40-N44 PolarHBondContact O-N 3.07Å; Q40-N44 PolarHBondContact O-OD1 3.38Å; L41-N44 PolarHBondContact O-N 3.46Å; A42-N44 VanDerWaalsContact C-N 3.31Å; A42-N44 PolarHBondContact O-N 3.23Å; N44-P47 WeakPolarHBondContact O-CD 2.8Å
45Y95.8Very high93Very high5 Ų562.9 Ų62.92%0.0234%0.342CS..Hα-helixtrans-85.5-28.7-175.9-72-9.1000114L10 L13 L14 D17 L41 A42 I48 V49 L60L10-Y45 HydrophobicContact CD2-CD2 3.73Å; L10-Y45 HydrophobicContact CD2-CG 4.26Å; L13-Y45 HydrophobicContact CB-CD2 4.46Å; L13-Y45 HydrophobicContact CB-CE1 4.24Å; L13-Y45 HydrophobicContact CB-CE2 4.04Å; L13-Y45 HydrophobicContact CD1-CD1 4.12Å; L13-Y45 HydrophobicContact CD1-CD2 4.35Å; L13-Y45 HydrophobicContact CD1-CE1 4.48Å; L13-Y45 HydrophobicContact CD1-CG 4.03Å; L14-Y45 HydrophobicContact CD2-CE2 3.87Å; L14-Y45 HydrophobicContact CG-CE2 4.12Å; D17-Y45 VanDerWaalsContact OD2-CE1 3.22Å; D17-Y45 WeakPolarHBondContact OD2-CE1 3.31Å; D17-Y45 VanDerWaalsContact OD2-CZ 3.29Å; D17-Y45 PolarHBondContact OD2-OH 3.09Å; L41-Y45 HydrophobicContact CD1-CD2 4.23Å; L41-Y45 HydrophobicContact CD1-CE1 4.06Å; L41-Y45 HydrophobicContact CD1-CE2 3.73Å; L41-Y45 HydrophobicContact CD2-CD2 4.5Å; L41-Y45 HydrophobicContact CD2-CE2 4.03Å; L41-Y45 HydrophobicContact CG-CD2 3.93Å; L41-Y45 HydrophobicContact CG-CE2 3.74Å; L41-Y45 WeakPolarHBondContact O-CB 3.44Å; L41-Y45 PolarHBondContact O-N 3.24Å; A42-Y45 PolarHBondContact O-N 3.4Å; Y45-I48 HydrophobicContact CD1-CD1 4.2Å; Y45-I48 WeakPolarHBondContact O-CB 3.43Å; Y45-I48 PolarHBondContact O-N 2.98Å; Y45-V49 WeakPolarHBondContact O-CG2 3.4Å; Y45-V49 PolarHBondContact O-N 3.44Å; Y45-L60 HydrophobicContact CD2-CD2 4.37Å
46A93.9Very high93.2Very high8 Ų855.3 Ų55.37%0.06631%0.307CS..Hα-helixtrans-45.6-52.1177.200000114.8A42 I48 C50 F51 V53 V56A42-A46 WeakPolarHBondContact O-CB 3.39Å; A42-A46 PolarHBondContact O-N 2.93Å; A46-I48 VanDerWaalsContact C-N 3.28Å; A46-I48 PolarHBondContact O-N 3.45Å; A46-C50 WeakPolarHBondContact O-CA 3.42Å; A46-C50 PolarHBondContact O-N 3.47Å; A46-F51 WeakPolarHBondContact CB-O 3.36Å; A46-F51 PolarHBondContact O-N 3.2Å; A46-V53 HydrophobicContact CB-CB 4.46Å; A46-V53 HydrophobicContact CB-CG2 3.74Å; A46-V56 HydrophobicContact CB-CG2 4.3Å
47P92.3Very high93.3Very high94 Ų9448.8 Ų48.861%0.6128%0.279SS*.Hα-helixtrans-67.8-27.9178.926.9-35.2000113.1V43 N44V43-P47 WeakPolarHBondContact O-CD 3.44Å; N44-P47 WeakPolarHBondContact O-CD 2.8Å
48I90.8Very high93.2Very high100 Ų10050.9 Ų50.951%0.51330%0.295SS..Hα-helixtrans-75.5-45.7-179.4-54.4175.2000110.3L13 Y45 A46 C50L13-I48 HydrophobicContact CD1-CB 4.29Å; L13-I48 HydrophobicContact CD1-CG2 3.97Å; L13-I48 HydrophobicContact CD2-CG2 3.96Å; Y45-I48 HydrophobicContact CD1-CD1 4.2Å; Y45-I48 WeakPolarHBondContact O-CB 3.43Å; Y45-I48 PolarHBondContact O-N 2.98Å; A46-I48 VanDerWaalsContact C-N 3.28Å; A46-I48 PolarHBondContact O-N 3.45Å; I48-C50 VanDerWaalsContact C-N 3.31Å
49V89.1Confident93.2Very high2 Ų250.5 Ų50.51%0.01229%0.293CS..Hα-helixtrans-83.1-10.1-179.4-59.10000113.2K9 L10 L13 Y45 F51 V56K9-V49 HydrophobicContact CB-CB 4.45Å; K9-V49 HydrophobicContact CB-CG1 3.88Å; K9-V49 HydrophobicContact CD-CB 4.43Å; K9-V49 PolarHBondContact NZ-O 2.99Å; L10-V49 HydrophobicContact CD2-CG1 4.02Å; L10-V49 HydrophobicContact CD2-CG2 4.45Å; L13-V49 HydrophobicContact CD1-CG1 3.46Å; L13-V49 VanDerWaalsContact CD1-CG1 3.46Å; Y45-V49 WeakPolarHBondContact O-CG2 3.4Å; Y45-V49 PolarHBondContact O-N 3.44Å; V49-F51 HydrophobicContact CB-CD2 3.97Å; V49-F51 HydrophobicContact CG2-CB 4.08Å; V49-F51 HydrophobicContact CG2-CD2 3.76Å; V49-F51 HydrophobicContact CG2-CG 4.42Å; V49-F51 WeakPolarHBondContact O-CD2 3.46Å; V49-F51 VanDerWaalsContact O-CE2 3.31Å; V49-F51 WeakPolarHBondContact O-CE2 3.48Å; V49-V56 HydrophobicContact CG2-CG2 3.54Å
50C88.3Confident93.2Very high75 Ų7545.9 Ų45.951%0.50727%0.272SS..THydrogen-bonded Turntrans61.844.4-177.3-59.50000113.3A46 I48A46-C50 WeakPolarHBondContact O-CA 3.42Å; A46-C50 PolarHBondContact O-N 3.47Å; I48-C50 VanDerWaalsContact C-N 3.31Å
51F89.4Confident93.1Very high22 Ų2242.6 Ų42.610%0.09626%0.256CS..SBendtrans-128.9161.2175.6-72.4-79.3000111H5 I6 K9 A46 V49 V56 N598H5-F51 AromaticContact CD2-CE2 3.89Å; H5-F51 AromaticContact CD2-CZ 3.58Å; H5-F51 AromaticContact NE2-CE2 3.94Å; H5-F51 AromaticContact NE2-CZ 3.85Å; I6-F51 HydrophobicContact CD1-CD1 3.73Å; I6-F51 HydrophobicContact CD1-CD2 4.48Å; I6-F51 HydrophobicContact CD1-CE1 3.9Å; I6-F51 HydrophobicContact CD1-CG 4.05Å; I6-F51 HydrophobicContact CD1-CZ 4.36Å; I6-F51 HydrophobicContact CG1-CD1 3.88Å; I6-F51 HydrophobicContact CG1-CD2 3.85Å; I6-F51 HydrophobicContact CG1-CE1 3.77Å; I6-F51 HydrophobicContact CG1-CE2 3.74Å; I6-F51 HydrophobicContact CG1-CG 3.93Å; I6-F51 HydrophobicContact CG1-CZ 3.7Å; K9-F51 HydrophobicContact CD-CE2 4.23Å; A46-F51 WeakPolarHBondContact CB-O 3.36Å; A46-F51 PolarHBondContact O-N 3.2Å; V49-F51 HydrophobicContact CB-CD2 3.97Å; V49-F51 HydrophobicContact CG2-CB 4.08Å; V49-F51 HydrophobicContact CG2-CD2 3.76Å; V49-F51 HydrophobicContact CG2-CG 4.42Å; V49-F51 WeakPolarHBondContact O-CD2 3.46Å; V49-F51 VanDerWaalsContact O-CE2 3.31Å; V49-F51 WeakPolarHBondContact O-CE2 3.48Å; F51-V56 HydrophobicContact CB-CG2 3.82Å; F51-N598 VanDerWaalsContact CE1-OD1 3.26Å; F51-N598 WeakPolarHBondContact CE1-OD1 3.4Å; F51-N598 WeakPolarHBondContact CZ-OD1 3.43Å
52S92.2Very high92.9Very high36 Ų3643.2 Ų43.225%0.25226%0.261SS..  trans-63.2148.4176.669.10000111.2S54 E55 V56S52-S54 PolarHBondContact O-N 3.43Å; S52-S54 VanDerWaalsContact O-N 3.14Å; S52-E55 WeakPolarHBondContact CB-OE2 3.2Å; S52-E55 PolarHBondContact N-OE2 3.39Å; S52-E55 PolarHBondContact O-N 3.02Å; S52-E55 VanDerWaalsContact O-N 3.11Å; S52-E55 WeakPolarHBondContact OG-CB 3.38Å; S52-E55 VanDerWaalsContact OG-CD 3.3Å; S52-E55 WeakPolarHBondContact OG-CG 3.31Å; S52-E55 PolarHBondContact OG-N 3.12Å; S52-E55 PolarHBondContact OG-OE2 3.48Å; S52-V56 WeakPolarHBondContact O-CG2 3.32Å; S52-V56 PolarHBondContact O-N 3.5Å
53V93.9Very high92.8Very high51 Ų5144.2 Ų44.231%0.30927%0.266SS..Hα-helixtrans-55.7-34.7176.8-179.30000111.1A42 V43 A46 A57A42-V53 HydrophobicContact CB-CG1 4.1Å; V43-V53 HydrophobicContact CG2-CG1 3.8Å; V43-V53 HydrophobicContact CG2-CG2 4.44Å; A46-V53 HydrophobicContact CB-CB 4.46Å; A46-V53 HydrophobicContact CB-CG2 3.74Å; V53-A57 WeakPolarHBondContact O-CB 3.43Å; V53-A57 PolarHBondContact O-N 2.9Å
54S93Very high92.7Very high96 Ų9641.3 Ų41.367%0.67125%0.247SC*.Hα-helixtrans-65.9-46.5177.5-178.10000112.6S52 A57 S58S52-S54 PolarHBondContact O-N 3.43Å; S52-S54 VanDerWaalsContact O-N 3.14Å; S54-A57 PolarHBondContact O-N 3.03Å; S54-S58 WeakPolarHBondContact O-CB 3.45Å; S54-S58 PolarHBondContact O-N 2.85Å
55E91.8Very high92.5Very high64 Ų6438.7 Ų38.730%0.29924%0.237SC..Hα-helixtrans-64-42.2177.3-73.5166.4133.500111.1I6 S52 S58 A59 R597I6-E55 HydrophobicContact CD1-CB 4.17Å; S52-E55 WeakPolarHBondContact CB-OE2 3.2Å; S52-E55 PolarHBondContact N-OE2 3.39Å; S52-E55 PolarHBondContact O-N 3.02Å; S52-E55 VanDerWaalsContact O-N 3.11Å; S52-E55 WeakPolarHBondContact OG-CB 3.38Å; S52-E55 VanDerWaalsContact OG-CD 3.3Å; S52-E55 WeakPolarHBondContact OG-CG 3.31Å; S52-E55 PolarHBondContact OG-N 3.12Å; S52-E55 PolarHBondContact OG-OE2 3.48Å; E55-S58 PolarHBondContact O-N 3.33Å; E55-A59 WeakPolarHBondContact O-CB 3.49Å; E55-A59 PolarHBondContact O-N 3.23Å; E55-R597 IonicContact OE1-NH2 3.48Å; E55-R597 PolarHBondContact OE1-NH2 3.12Å
56V94Very high92.2Very high0 Ų040.4 Ų40.40%025%0.245CC..Hα-helixtrans-65.8-45.1177.2175.80000111.8L10 A42 A46 V49 F51 S52 S58 A59 L60L10-V56 HydrophobicContact CD1-CG1 4.15Å; L10-V56 HydrophobicContact CD2-CG1 3.72Å; A42-V56 HydrophobicContact CB-CB 4.39Å; A42-V56 HydrophobicContact CB-CG1 4.01Å; A46-V56 HydrophobicContact CB-CG2 4.3Å; V49-V56 HydrophobicContact CG2-CG2 3.54Å; F51-V56 HydrophobicContact CB-CG2 3.82Å; S52-V56 WeakPolarHBondContact O-CG2 3.32Å; S52-V56 PolarHBondContact O-N 3.5Å; V56-S58 VanDerWaalsContact C-N 3.32Å; V56-S58 PolarHBondContact O-N 3.43Å; V56-A59 PolarHBondContact O-N 3.34Å; V56-L60 HydrophobicContact CG1-CD1 3.93Å; V56-L60 HydrophobicContact CG1-CG 4.19Å; V56-L60 WeakPolarHBondContact O-CB 3.26Å; V56-L60 WeakPolarHBondContact O-CG 3.36Å; V56-L60 PolarHBondContact O-N 2.73Å
57A93.9Very high92.1Very high20 Ų2041.1 Ų41.117%0.16525%0.251CS..Hα-helixtrans-60-44.317700000111.3A42 V53 S54 A59 L60 E61A42-A57 HydrophobicContact CB-CB 3.71Å; V53-A57 WeakPolarHBondContact O-CB 3.43Å; V53-A57 PolarHBondContact O-N 2.9Å; S54-A57 PolarHBondContact O-N 3.03Å; A57-A59 VanDerWaalsContact C-N 3.35Å; A57-A59 PolarHBondContact O-N 2.85Å; A57-L60 PolarHBondContact O-N 3.23Å; A57-E61 WeakPolarHBondContact O-CB 3.35Å; A57-E61 PolarHBondContact O-N 2.92Å
58S92.3Very high92.1Very high75 Ų7537.3 Ų37.352%0.52423%0.226SC..Hα-helixtrans-61.4-42.5175.4-174.20000111.9S54 E55 V56 S62S54-S58 WeakPolarHBondContact O-CB 3.45Å; S54-S58 PolarHBondContact O-N 2.85Å; E55-S58 PolarHBondContact O-N 3.33Å; V56-S58 VanDerWaalsContact C-N 3.32Å; V56-S58 PolarHBondContact O-N 3.43Å; S58-S62 WeakPolarHBondContact O-CB 3.44Å; S58-S62 PolarHBondContact O-N 3.44Å
59A92.5Very high92Very high2 Ų236.5 Ų36.52%0.01722%0.219CC..Hα-helixtrans-69.7-40.4179.300000112.3I6 Q7 L10 E55 V56 A57 S62 I63I6-A59 HydrophobicContact CB-CB 4.32Å; I6-A59 HydrophobicContact CG2-CB 3.55Å; Q7-A59 HydrophobicContact CG-CB 4.23Å; L10-A59 HydrophobicContact CD1-CB 3.53Å; E55-A59 WeakPolarHBondContact O-CB 3.49Å; E55-A59 PolarHBondContact O-N 3.23Å; V56-A59 PolarHBondContact O-N 3.34Å; A57-A59 VanDerWaalsContact C-N 3.35Å; A57-A59 PolarHBondContact O-N 2.85Å; A59-S62 WeakPolarHBondContact O-CB 3.42Å; A59-S62 PolarHBondContact O-N 3.48Å; A59-I63 VanDerWaalsContact O-CG1 3.31Å; A59-I63 WeakPolarHBondContact O-CG1 3.39Å; A59-I63 PolarHBondContact O-N 2.99Å
60L95.1Very high92Very high0 Ų043.6 Ų43.60%025%0.246CC..Hα-helixtrans-60.7-43.6173.9-75.6173.6000111.6L10 L14 L21 L38 L41 A42 Y45 V56 A57 S62 I63 R64L10-L60 HydrophobicContact CB-CD2 4.39Å; L10-L60 HydrophobicContact CD1-CD2 4.14Å; L10-L60 HydrophobicContact CD1-CG 4.05Å; L10-L60 HydrophobicContact CD2-CD2 4.31Å; L14-L60 HydrophobicContact CD1-CD2 4.14Å; L14-L60 HydrophobicContact CD2-CD2 4.33Å; L21-L60 HydrophobicContact CD1-CD2 4.1Å; L38-L60 HydrophobicContact CD2-CB 4.26Å; L41-L60 HydrophobicContact CB-CD1 4.09Å; L41-L60 HydrophobicContact CD2-CD1 4.09Å; L41-L60 HydrophobicContact CD2-CD2 4.09Å; L41-L60 HydrophobicContact CG-CD1 4.05Å; A42-L60 HydrophobicContact CB-CD1 3.98Å; Y45-L60 HydrophobicContact CD2-CD2 4.37Å; V56-L60 HydrophobicContact CG1-CD1 3.93Å; V56-L60 HydrophobicContact CG1-CG 4.19Å; V56-L60 WeakPolarHBondContact O-CB 3.26Å; V56-L60 WeakPolarHBondContact O-CG 3.36Å; V56-L60 PolarHBondContact O-N 2.73Å; A57-L60 PolarHBondContact O-N 3.23Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 2.96Å; L60-I63 PolarHBondContact O-N 2.81Å; L60-R64 WeakPolarHBondContact O-CB 3.49Å; L60-R64 PolarHBondContact O-N 3.49Å
61E93.8Very high92.1Very high59 Ų5941.9 Ų41.928%0.27624%0.24SC..Hα-helixtrans-65-37.7175.3177.553.1-15500111.8A33 L38 A57 R64 S65A33-E61 WeakPolarHBondContact CB-OE2 3.31Å; L38-E61 WeakPolarHBondContact CD1-OE2 3.44Å; A57-E61 WeakPolarHBondContact O-CB 3.35Å; A57-E61 PolarHBondContact O-N 2.92Å; E61-R64 PolarHBondContact O-N 3.36Å; E61-R64 IonicContact OE1-CZ 3.77Å; E61-R64 IonicContact OE1-NE 3.72Å; E61-R64 PolarHBondContact OE1-NE 2.72Å; E61-R64 IonicContact OE1-NH2 2.68Å; E61-R64 PolarHBondContact OE1-NH2 3.28Å; E61-R64 IonicContact OE2-CZ 3.72Å; E61-R64 IonicContact OE2-NE 3.99Å; E61-R64 PolarHBondContact OE2-NE 3.1Å; E61-R64 IonicContact OE2-NH2 3.79Å; E61-S65 VanDerWaalsContact O-CB 3.29Å; E61-S65 WeakPolarHBondContact O-CB 3.48Å; E61-S65 PolarHBondContact O-N 2.99Å; E61-S65 PolarHBondContact O-OG 3.14Å
62S91.4Very high92.1Very high23 Ų2345.6 Ų45.616%0.16126%0.259CS..Hα-helixtrans-62-45.2173.3-166.10000111.3E3 Q7 S58 A59 L60 S65 Q66E3-S62 PolarHBondContact OE1-OG 3Å; Q7-S62 PolarHBondContact NE2-OG 3.45Å; Q7-S62 VanDerWaalsContact NE2-OG 3.08Å; S58-S62 WeakPolarHBondContact O-CB 3.44Å; S58-S62 PolarHBondContact O-N 3.44Å; A59-S62 WeakPolarHBondContact O-CB 3.42Å; A59-S62 PolarHBondContact O-N 3.48Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 2.96Å; S62-S65 PolarHBondContact O-OG 3.44Å; S62-Q66 WeakPolarHBondContact O-CB 3.44Å; S62-Q66 WeakPolarHBondContact O-CG 3.32Å; S62-Q66 PolarHBondContact O-N 3.35Å; S62-Q66 PolarHBondContact O-NE2 3.31Å; S62-Q66 PolarHBondContact OG-NE2 2.82Å; S62-Q66 VanDerWaalsContact OG-NE2 3.11Å
63I92.9Very high92Very high21 Ų2144 Ų4411%0.10825%0.248CC..Hα-helixtrans-62.9-47.6176.2-64.2161.3000110.6Q7 L10 V11 L14 L21 A59 L60 Q66 A67Q7-I63 HydrophobicContact CB-CD1 4.26Å; Q7-I63 HydrophobicContact CB-CG1 4.22Å; Q7-I63 HydrophobicContact CG-CD1 4.3Å; Q7-I63 HydrophobicContact CG-CG1 3.98Å; L10-I63 HydrophobicContact CB-CD1 3.73Å; L10-I63 HydrophobicContact CD1-CD1 4.2Å; V11-I63 HydrophobicContact CG2-CD1 3.97Å; V11-I63 HydrophobicContact CG2-CG1 4.28Å; V11-I63 HydrophobicContact CG2-CG2 4.26Å; L14-I63 HydrophobicContact CD1-CD1 4.25Å; L14-I63 HydrophobicContact CD1-CG2 4.27Å; L21-I63 HydrophobicContact CD1-CB 4.03Å; L21-I63 HydrophobicContact CD1-CG2 3.85Å; A59-I63 VanDerWaalsContact O-CG1 3.31Å; A59-I63 WeakPolarHBondContact O-CG1 3.39Å; A59-I63 PolarHBondContact O-N 2.99Å; L60-I63 PolarHBondContact O-N 2.81Å; I63-Q66 PolarHBondContact O-N 3.46Å; I63-A67 WeakPolarHBondContact O-CB 3.35Å; I63-A67 PolarHBondContact O-N 2.93Å
64R94.7Very high92Very high14 Ų1444.1 Ų44.15%0.05325%0.247CC..Hα-helixtrans-58.1-54.8179.7-175.5-15872.978.92.4111.3L21 Y26 T27 N31 L60 E61 Q66 A67 V68L21-R64 HydrophobicContact CB-CB 3.91Å; L21-R64 HydrophobicContact CB-CG 3.99Å; L21-R64 HydrophobicContact CD1-CB 4.2Å; L21-R64 WeakPolarHBondContact O-CG 3.49Å; Y26-R64 VanDerWaalsContact O-CD 3.32Å; Y26-R64 WeakPolarHBondContact O-CD 3.21Å; T27-R64 WeakPolarHBondContact OG1-CD 3.38Å; T27-R64 WeakPolarHBondContact OG1-CG 3.47Å; T27-R64 PolarHBondContact OG1-NH1 3.49Å; N31-R64 PolarHBondContact O-NH1 3.39Å; L60-R64 WeakPolarHBondContact O-CB 3.49Å; L60-R64 PolarHBondContact O-N 3.49Å; E61-R64 PolarHBondContact O-N 3.36Å; E61-R64 IonicContact OE1-CZ 3.77Å; E61-R64 IonicContact OE1-NE 3.72Å; E61-R64 PolarHBondContact OE1-NE 2.72Å; E61-R64 IonicContact OE1-NH2 2.68Å; E61-R64 PolarHBondContact OE1-NH2 3.28Å; E61-R64 IonicContact OE2-CZ 3.72Å; E61-R64 IonicContact OE2-NE 3.99Å; E61-R64 PolarHBondContact OE2-NE 3.1Å; E61-R64 IonicContact OE2-NH2 3.79Å; R64-Q66 VanDerWaalsContact C-N 3.27Å; R64-Q66 PolarHBondContact O-N 3.35Å; R64-A67 PolarHBondContact O-N 2.88Å; R64-A67 VanDerWaalsContact O-N 3.09Å; R64-V68 HydrophobicContact CG-CG2 4.42Å; R64-V68 WeakPolarHBondContact O-CG2 3.48Å; R64-V68 PolarHBondContact O-N 2.92Å
65S91.7Very high91.9Very high46 Ų4645.5 Ų45.532%0.32224%0.241SC..Hα-helixtrans-60.2-38.5-178.558.60000111.7E61 S62 K69E61-S65 VanDerWaalsContact O-CB 3.29Å; E61-S65 WeakPolarHBondContact O-CB 3.48Å; E61-S65 PolarHBondContact O-N 2.99Å; E61-S65 PolarHBondContact O-OG 3.14Å; S62-S65 PolarHBondContact O-OG 3.44Å; S65-K69 VanDerWaalsContact O-CB 3.25Å; S65-K69 WeakPolarHBondContact O-CB 3.16Å; S65-K69 PolarHBondContact O-N 3.38Å
66Q89.6Confident92Very high40 Ų4044.5 Ų44.519%0.18724%0.24CC..Hα-helixtrans-63.9-44.9172.7-72.7173.751.500112.2S62 I63 R64 K69 R70 K100S62-Q66 WeakPolarHBondContact O-CB 3.44Å; S62-Q66 WeakPolarHBondContact O-CG 3.32Å; S62-Q66 PolarHBondContact O-N 3.35Å; S62-Q66 PolarHBondContact O-NE2 3.31Å; S62-Q66 PolarHBondContact OG-NE2 2.82Å; S62-Q66 VanDerWaalsContact OG-NE2 3.11Å; I63-Q66 PolarHBondContact O-N 3.46Å; R64-Q66 VanDerWaalsContact C-N 3.27Å; R64-Q66 PolarHBondContact O-N 3.35Å; Q66-K69 PolarHBondContact O-N 3.48Å; Q66-R70 VanDerWaalsContact O-CB 3.3Å; Q66-R70 WeakPolarHBondContact O-CB 3.31Å; Q66-R70 PolarHBondContact O-N 3.31Å; Q66-K100 VanDerWaalsContact CD-CE 3.48Å; Q66-K100 HydrophobicContact CG-CD 4.01Å
67A91.6Very high92Very high23 Ų2348.4 Ų48.419%0.1926%0.255CS..Hα-helixtrans-65.6-42.6-179.800000112.1W22 I63 R64 R70 G71W22-A67 HydrophobicContact CB-CB 4.26Å; W22-A67 HydrophobicContact CD2-CB 4.29Å; W22-A67 HydrophobicContact CE3-CB 3.57Å; W22-A67 HydrophobicContact CZ3-CB 4.29Å; I63-A67 WeakPolarHBondContact O-CB 3.35Å; I63-A67 PolarHBondContact O-N 2.93Å; R64-A67 PolarHBondContact O-N 2.88Å; R64-A67 VanDerWaalsContact O-N 3.09Å; A67-R70 PolarHBondContact O-N 3.07Å; A67-G71 PolarHBondContact O-N 2.83Å
68V91.8Very high92Very high14 Ų1457.1 Ų57.19%0.08528%0.283CS..Hα-helixtrans-62.1-48.3175170.50000110.5W22 T27 N31 R64 R70 G71 M72W22-V68 HydrophobicContact CB-CG2 3.85Å; T27-V68 HydrophobicContact CG2-CG2 3.86Å; N31-V68 HydrophobicContact CB-CG1 3.75Å; R64-V68 HydrophobicContact CG-CG2 4.42Å; R64-V68 WeakPolarHBondContact O-CG2 3.48Å; R64-V68 PolarHBondContact O-N 2.92Å; V68-R70 VanDerWaalsContact C-N 3.32Å; V68-R70 PolarHBondContact O-N 3.24Å; V68-G71 WeakPolarHBondContact O-CA 3.45Å; V68-G71 PolarHBondContact O-N 3.21Å; V68-G71 VanDerWaalsContact O-N 3.1Å; V68-M72 HydrophobicContact CG1-SD 4.4Å; V68-M72 WeakPolarHBondContact O-CG 3.17Å; V68-M72 PolarHBondContact O-N 3.34Å
69K88.8Confident92.1Very high84 Ų8459.5 Ų59.537%0.36529%0.286SS..Hα-helixtrans-61.4-40.4178-171.8168.9-176.1171.30112.1S65 Q66 M72 G73 Y102S65-K69 VanDerWaalsContact O-CB 3.25Å; S65-K69 WeakPolarHBondContact O-CB 3.16Å; S65-K69 PolarHBondContact O-N 3.38Å; Q66-K69 PolarHBondContact O-N 3.48Å; K69-M72 PolarHBondContact O-N 3.09Å; K69-G73 PolarHBondContact O-N 3.24Å; K69-Y102 HydrophobicContact CD-CD2 3.98Å; K69-Y102 HydrophobicContact CD-CE2 3.77Å; K69-Y102 HydrophobicContact CD-CG 4.4Å; K69-Y102 VanDerWaalsContact CE-CD2 3.49Å
70R90.2Very high92.2Very high151 Ų15162.8 Ų62.857%0.5731%0.306SS*.Hα-helixtrans-63.8-40.3173.7-171.6175.7-174.9-178.91.2111.8Q66 A67 V68 G73 N74Q66-R70 VanDerWaalsContact O-CB 3.3Å; Q66-R70 WeakPolarHBondContact O-CB 3.31Å; Q66-R70 PolarHBondContact O-N 3.31Å; A67-R70 PolarHBondContact O-N 3.07Å; V68-R70 VanDerWaalsContact C-N 3.32Å; V68-R70 PolarHBondContact O-N 3.24Å; R70-G73 PolarHBondContact O-N 3.03Å; R70-N74 WeakPolarHBondContact O-CB 3.35Å; R70-N74 PolarHBondContact O-N 3.31Å; R70-N74 PolarHBondContact O-ND2 3.07Å
71G90.4Very high92.1Very high38 Ų3870 Ų7039%0.39234%0.338SS..Hα-helixtrans-60.6-45.7173.900000112.3A67 V68 N74 K75A67-G71 PolarHBondContact O-N 2.83Å; V68-G71 WeakPolarHBondContact O-CA 3.45Å; V68-G71 PolarHBondContact O-N 3.21Å; V68-G71 VanDerWaalsContact O-N 3.1Å; G71-N74 WeakPolarHBondContact O-CB 3.46Å; G71-N74 PolarHBondContact O-N 3.04Å; G71-K75 PolarHBondContact O-N 2.9Å
72M89.3Confident92.1Very high100 Ų10068.8 Ų68.849%0.49333%0.334SS..Hα-helixtrans-61-49.3173.7-69.1178.363.200111.6V68 K69 N74 K75 T76V68-M72 HydrophobicContact CG1-SD 4.4Å; V68-M72 WeakPolarHBondContact O-CG 3.17Å; V68-M72 PolarHBondContact O-N 3.34Å; K69-M72 PolarHBondContact O-N 3.09Å; M72-N74 VanDerWaalsContact C-N 3.27Å; M72-N74 PolarHBondContact O-N 3.25Å; M72-K75 WeakPolarHBondContact O-CB 3.33Å; M72-K75 PolarHBondContact O-N 3.36Å; M72-T76 PolarHBondContact O-N 2.73Å; M72-T76 PolarHBondContact O-OG1 3.25Å
73G89.9Confident92.3Very high3 Ų367.7 Ų67.73%0.03133%0.327CS..Hα-helixtrans-59.8-35.617700000112.9K69 R70 Y77 T84K69-G73 PolarHBondContact O-N 3.24Å; R70-G73 PolarHBondContact O-N 3.03Å; G73-Y77 VanDerWaalsContact O-CB 3.25Å; G73-Y77 WeakPolarHBondContact O-CB 3.39Å; G73-Y77 PolarHBondContact O-N 2.82Å; G73-T84 WeakPolarHBondContact CA-OG1 3.29Å
74N92.9Very high92.3Very high54 Ų5466.8 Ų66.829%0.28932%0.322SS..Hα-helixtrans-66.5-40.2172.8-72.6-19.9000112.6R70 G71 M72 R78 N149 N150R70-N74 WeakPolarHBondContact O-CB 3.35Å; R70-N74 PolarHBondContact O-N 3.31Å; R70-N74 PolarHBondContact O-ND2 3.07Å; G71-N74 WeakPolarHBondContact O-CB 3.46Å; G71-N74 PolarHBondContact O-N 3.04Å; M72-N74 VanDerWaalsContact C-N 3.27Å; M72-N74 PolarHBondContact O-N 3.25Å; N74-R78 VanDerWaalsContact O-CG 3.3Å; N74-R78 WeakPolarHBondContact O-CG 3.41Å; N74-R78 PolarHBondContact O-N 2.99Å; N74-R78 VanDerWaalsContact O-N 3.11Å; N74-N149 PolarHBondContact OD1-ND2 3.18Å; N74-N149 VanDerWaalsContact OD1-ND2 3.12Å; N74-N150 PolarHBondContact OD1-ND2 3.46Å
75K92.3Very high92.3Very high125 Ų12566.1 Ų66.154%0.54332%0.32SS..Hα-helixtrans-64.5-51.3176-176.5179.7175.7-177.80110.4G71 M72 Y77 R78 E79G71-K75 PolarHBondContact O-N 2.9Å; M72-K75 WeakPolarHBondContact O-CB 3.33Å; M72-K75 PolarHBondContact O-N 3.36Å; K75-Y77 VanDerWaalsContact C-N 3.33Å; K75-Y77 PolarHBondContact O-N 3.21Å; K75-R78 PolarHBondContact O-N 2.86Å; K75-R78 VanDerWaalsContact O-N 3.13Å; K75-E79 WeakPolarHBondContact CE-OE1 3.23Å; K75-E79 HydrophobicContact CG-CG 4.49Å; K75-E79 WeakPolarHBondContact CG-OE1 3.29Å; K75-E79 IonicContact NZ-OE1 3.59Å; K75-E79 WeakPolarHBondContact O-CG 3.16Å; K75-E79 PolarHBondContact O-N 3.32Å
76T92.3Very high92.2Very high43 Ų4365 Ų6526%0.26431%0.309SS..Hα-helixtrans-56.7-46.2176.5-56.50000111.2M72 R78 E79 T80 V82M72-T76 PolarHBondContact O-N 2.73Å; M72-T76 PolarHBondContact O-OG1 3.25Å; T76-R78 VanDerWaalsContact C-N 3.32Å; T76-R78 PolarHBondContact O-N 2.93Å; T76-E79 PolarHBondContact O-N 3.18Å; T76-T80 WeakPolarHBondContact CG2-OG1 3.26Å; T76-T80 PolarHBondContact O-N 3.1Å; T76-T80 PolarHBondContact O-OG1 2.65Å; T76-V82 HydrophobicContact CG2-CB 4.29Å
77Y94.7Very high92.2Very high81 Ų8163.1 Ų63.132%0.31830%0.301SS..Hα-helixtrans-60.1-40.3177.9-176.9-108.5000113G73 K75 F81 V82 A83 L107 N149G73-Y77 VanDerWaalsContact O-CB 3.25Å; G73-Y77 WeakPolarHBondContact O-CB 3.39Å; G73-Y77 PolarHBondContact O-N 2.82Å; K75-Y77 VanDerWaalsContact C-N 3.33Å; K75-Y77 PolarHBondContact O-N 3.21Å; Y77-F81 WeakPolarHBondContact O-CA 3.48Å; Y77-F81 PolarHBondContact O-N 2.82Å; Y77-V82 VanDerWaalsContact CA-O 3.29Å; Y77-V82 WeakPolarHBondContact CA-O 3.29Å; Y77-V82 PolarHBondContact N-O 3.09Å; Y77-A83 HydrophobicContact CD2-CB 3.87Å; Y77-A83 HydrophobicContact CE2-CB 4Å; Y77-L107 HydrophobicContact CE2-CD1 3.93Å; Y77-L107 HydrophobicContact CE2-CG 4.47Å; Y77-N149 WeakPolarHBondContact CB-ND2 3.32Å; Y77-N149 HydrophobicContact CD1-CB 3.93Å; Y77-N149 HydrophobicContact CD2-CB 4.02Å; Y77-N149 HydrophobicContact CE1-CB 4.17Å; Y77-N149 HydrophobicContact CE2-CB 4.24Å; Y77-N149 HydrophobicContact CG-CB 3.85Å
78R94.4Very high91.8Very high203 Ų20363.8 Ų63.877%0.76630%0.301SS*.Hα-helixtrans-68.3-35.2176.9-73174-174.9173.91.4112.9N74 K75 T76N74-R78 VanDerWaalsContact O-CG 3.3Å; N74-R78 WeakPolarHBondContact O-CG 3.41Å; N74-R78 PolarHBondContact O-N 2.99Å; N74-R78 VanDerWaalsContact O-N 3.11Å; K75-R78 PolarHBondContact O-N 2.86Å; K75-R78 VanDerWaalsContact O-N 3.13Å; T76-R78 VanDerWaalsContact C-N 3.32Å; T76-R78 PolarHBondContact O-N 2.93Å
79E94.8Very high91.4Very high126 Ų12663.5 Ų63.559%0.58930%0.299SS*.Hα-helixtrans-85.9-35.1-175.1-70.8173.6177.100112.8K75 T76K75-E79 WeakPolarHBondContact CE-OE1 3.23Å; K75-E79 HydrophobicContact CG-CG 4.49Å; K75-E79 WeakPolarHBondContact CG-OE1 3.29Å; K75-E79 IonicContact NZ-OE1 3.59Å; K75-E79 WeakPolarHBondContact O-CG 3.16Å; K75-E79 PolarHBondContact O-N 3.32Å; T76-E79 PolarHBondContact O-N 3.18Å
80T93.8Very high90.8Very high70 Ų7060.8 Ų60.843%0.42929%0.29SS..Hα-helixtrans-128.1-1.8-169.170.30000114.4T76 V82T76-T80 WeakPolarHBondContact CG2-OG1 3.26Å; T76-T80 PolarHBondContact O-N 3.1Å; T76-T80 PolarHBondContact O-OG1 2.65Å; T80-V82 PolarHBondContact O-N 3.43Å; T80-V82 WeakPolarHBondContact OG1-CB 3.17Å; T80-V82 WeakPolarHBondContact OG1-CG2 3.49Å; T80-V82 PolarHBondContact OG1-N 3.13Å
81F92.3Very high89.8Confident151 Ų15159.2 Ų59.266%0.66229%0.287SS*.  trans5918.5-173.3-58.5-84.6000114.4Y77Y77-F81 WeakPolarHBondContact O-CA 3.48Å; Y77-F81 PolarHBondContact O-N 2.82Å
82V94.9Very high88.5Confident34 Ų3464 Ų6421%0.20630%0.303CS..  trans-90.9113.5174.1179.40000109.3T76 Y77 T80 E104 K106T76-V82 HydrophobicContact CG2-CB 4.29Å; Y77-V82 VanDerWaalsContact CA-O 3.29Å; Y77-V82 WeakPolarHBondContact CA-O 3.29Å; Y77-V82 PolarHBondContact N-O 3.09Å; T80-V82 PolarHBondContact O-N 3.43Å; T80-V82 WeakPolarHBondContact OG1-CB 3.17Å; T80-V82 WeakPolarHBondContact OG1-CG2 3.49Å; T80-V82 PolarHBondContact OG1-N 3.13Å; V82-E104 HydrophobicContact CG1-CB 3.9Å; V82-K106 HydrophobicContact CG2-CG 4.35Å
83A94.9Very high87.2Confident0 Ų059.7 Ų59.70%029%0.285CS..EExtended strand (participates in β ladder)trans-80.5146.5177.100000111.1Y77 E104 T105 L107 N149Y77-A83 HydrophobicContact CD2-CB 3.87Å; Y77-A83 HydrophobicContact CE2-CB 4Å; A83-E104 WeakPolarHBondContact O-CA 3.37Å; A83-T105 WeakPolarHBondContact CA-O 3.4Å; A83-T105 WeakPolarHBondContact CB-O 3.48Å; A83-T105 PolarHBondContact N-O 3.37Å; A83-T105 PolarHBondContact O-N 3.35Å; A83-T105 VanDerWaalsContact O-O 3.11Å; A83-L107 HydrophobicContact CB-CD1 4.08Å; A83-L107 HydrophobicContact CB-CD2 3.56Å; A83-L107 HydrophobicContact CB-CG 3.67Å; A83-N149 WeakPolarHBondContact CA-OD1 3.16Å; A83-N149 HydrophobicContact CB-CB 4.18Å
84T94.3Very high86Confident3 Ų362.6 Ų62.62%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-101.7118.4171.1-55.60000108.7G73 Y102 N149 N150G73-T84 WeakPolarHBondContact CA-OG1 3.29Å; T84-Y102 HydrophobicContact CG2-CD1 3.9Å; T84-Y102 HydrophobicContact CG2-CG 4.48Å; T84-N149 PolarHBondContact N-OD1 3.38Å; T84-N150 WeakPolarHBondContact O-CA 3.26Å; T84-N150 PolarHBondContact O-N 2.87Å
85L92.9Very high84.4Confident0 Ų068.3 Ų68.30%032%0.319CS..EExtended strand (participates in β ladder)trans-104136.9178.4-54.1177.4000109.6Y102 L103 T105 L107 L142 V147 I153L85-Y102 CarbonylContact O-C 3.48Å; L85-Y102 WeakPolarHBondContact O-CA 3.47Å; L85-L103 PolarHBondContact N-O 3.32Å; L85-L103 PolarHBondContact O-N 2.79Å; L85-T105 HydrophobicContact CD1-CG2 3.47Å; L85-T105 VanDerWaalsContact CD1-CG2 3.47Å; L85-T105 HydrophobicContact CG-CG2 4.09Å; L85-L107 HydrophobicContact CD2-CD2 4.35Å; L85-L142 HydrophobicContact CD1-CD1 4.09Å; L85-V147 HydrophobicContact CD1-CG1 4.45Å; L85-V147 HydrophobicContact CD2-CG1 3.77Å; L85-I153 HydrophobicContact CB-CD1 4.47Å; L85-I153 HydrophobicContact CD1-CD1 3.82Å; L85-I153 HydrophobicContact CD2-CD1 4.45Å; L85-I153 HydrophobicContact CG-CD1 4.47Å
86E90.6Very high82.9Confident21 Ų2166.2 Ų66.210%0.09831%0.314CS..EExtended strand (participates in β ladder)trans-90.2119.9172.1-178.3176.3176.200108.7K100 Y102 S151 K152 I153E86-K100 VanDerWaalsContact OE1-CD 3.26Å; E86-K100 WeakPolarHBondContact OE1-CD 3.48Å; E86-K100 VanDerWaalsContact OE1-CE 3.25Å; E86-K100 WeakPolarHBondContact OE1-CE 3.43Å; E86-K100 IonicContact OE1-NZ 2.92Å; E86-K100 PolarHBondContact OE1-NZ 3.42Å; E86-K100 IonicContact OE2-NZ 3.64Å; E86-Y102 HydrophobicContact CB-CD1 4.1Å; E86-Y102 HydrophobicContact CB-CE1 3.89Å; E86-Y102 HydrophobicContact CG-CE1 4.07Å; E86-S151 PolarHBondContact N-O 3.37Å; E86-K152 HydrophobicContact CB-CG 4.14Å; E86-K152 HydrophobicContact CG-CG 4.42Å; E86-K152 CarbonylContact O-C 3.6Å; E86-K152 WeakPolarHBondContact O-CA 3.29Å; E86-K152 WeakPolarHBondContact OE2-CE 3.41Å; E86-I153 PolarHBondContact O-N 2.94Å
87L89.5Confident81.3Confident2 Ų269.7 Ų69.71%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-98.1124.8-179.2-58.6-177.6000110.7L89 N101 L103 I118 Y122 I153 V155L87-L89 HydrophobicContact CB-CD2 4.28Å; L87-N101 HydrophobicContact CB-CB 4.16Å; L87-N101 PolarHBondContact N-O 3.37Å; L87-L103 HydrophobicContact CD1-CB 3.83Å; L87-L103 HydrophobicContact CD2-CB 4.43Å; L87-L103 HydrophobicContact CG-CB 4.13Å; L87-I118 HydrophobicContact CD1-CD1 3.9Å; L87-I118 HydrophobicContact CD1-CG1 3.73Å; L87-I118 HydrophobicContact CD1-CG2 4.4Å; L87-I118 HydrophobicContact CD2-CD1 3.68Å; L87-I118 HydrophobicContact CD2-CG1 4.44Å; L87-I118 HydrophobicContact CG-CD1 4.46Å; L87-Y122 HydrophobicContact CD1-CE2 3.67Å; L87-I153 HydrophobicContact CD2-CB 4.33Å; L87-V155 HydrophobicContact CB-CG2 4.43Å; L87-V155 HydrophobicContact CD2-CG2 4.36Å
88L82.5Confident79.6Confident36 Ų3673.7 Ų73.719%0.18835%0.354CS..EExtended strand (participates in β ladder)trans-98.3100.8168.6-60.2-169.7000109.7I153 V155 S291L88-I153 PolarHBondContact N-O 2.7Å; L88-V155 PolarHBondContact O-N 2.91Å; L88-S291 VanDerWaalsContact CD1-OG 3.27Å; L88-S291 WeakPolarHBondContact CD1-OG 3.4Å
89L83.6Confident78.4Confident9 Ų971.1 Ų71.15%0.04735%0.348CS..  trans-82152-178.7-55.8173.8000111.3L87 K94 N101 I118 Y122 L124 V155L87-L89 HydrophobicContact CB-CD2 4.28Å; L89-K94 HydrophobicContact CB-CG 4.25Å; L89-K94 VanDerWaalsContact O-CE 3.28Å; L89-K94 WeakPolarHBondContact O-CE 3.38Å; L89-N101 HydrophobicContact CD1-CB 3.99Å; L89-N101 WeakPolarHBondContact CD1-ND2 3.3Å; L89-N101 HydrophobicContact CG-CB 4.34Å; L89-I118 HydrophobicContact CD2-CG2 4.34Å; L89-Y122 HydrophobicContact CD1-CD1 3.23Å; L89-Y122 HydrophobicContact CD1-CD2 4.27Å; L89-Y122 HydrophobicContact CD1-CE1 3.47Å; L89-Y122 VanDerWaalsContact CD1-CE1 3.47Å; L89-Y122 HydrophobicContact CD1-CE2 4.47Å; L89-Y122 HydrophobicContact CD1-CG 3.68Å; L89-Y122 HydrophobicContact CD2-CD1 4.44Å; L89-Y122 HydrophobicContact CD2-CD2 4.05Å; L89-Y122 HydrophobicContact CD2-CE2 4.42Å; L89-Y122 HydrophobicContact CD2-CG 4.07Å; L89-Y122 HydrophobicContact CG-CD1 4.47Å; L89-L124 HydrophobicContact CD2-CD1 3.89Å; L89-V155 HydrophobicContact CD2-CB 4.14Å; L89-V155 HydrophobicContact CD2-CG1 4.42Å; L89-V155 HydrophobicContact CD2-CG2 3.96Å
90P76.5Confident77.5Confident27 Ų2768.2 Ų68.218%0.17533%0.334CS..  trans-55.2156.9168.9-16.927.4000111.7D92 G93 L124 V155 R157P90-D92 VanDerWaalsContact C-N 3.28Å; P90-D92 PolarHBondContact O-N 2.92Å; P90-G93 PolarHBondContact O-N 2.81Å; P90-L124 HydrophobicContact CG-CD2 4.48Å; P90-V155 VanDerWaalsContact CD-O 3.27Å; P90-V155 WeakPolarHBondContact CD-O 3.43Å; P90-V155 WeakPolarHBondContact CG-O 3.46Å; P90-R157 HydrophobicContact CB-CB 4.2Å; P90-R157 HydrophobicContact CG-CB 3.63Å
91K69Low77.1Confident118 Ų11866 Ų6651%0.51332%0.319SS..G310 helixtrans-49.2-45.5-177-72.5-178.7174.4179.70113.3G93 E288K91-G93 VanDerWaalsContact C-N 3.33Å; K91-G93 PolarHBondContact O-N 3.15Å; K91-E288 WeakPolarHBondContact CE-OE1 3.41Å; K91-E288 WeakPolarHBondContact CE-OE2 3.49Å; K91-E288 IonicContact NZ-OE1 2.69Å; K91-E288 PolarHBondContact NZ-OE1 3.4Å; K91-E288 IonicContact NZ-OE2 3.4Å
92D64Low77Confident137 Ų13760.8 Ų60.873%0.73330%0.295SS*.G310 helixtrans-79.6-14.3-177.1-47.5-34.3000113.7P90 R157P90-D92 VanDerWaalsContact C-N 3.28Å; P90-D92 PolarHBondContact O-N 2.92Å; D92-R157 IonicContact OD2-NH1 3.89Å
93G61Low76.9Confident10 Ų1059.3 Ų59.310%0.10329%0.286CS..G310 helixtrans-86.6-7.7178.200000113.9P90 K91 K95P90-G93 PolarHBondContact O-N 2.81Å; K91-G93 VanDerWaalsContact C-N 3.33Å; K91-G93 PolarHBondContact O-N 3.15Å; G93-K95 PolarHBondContact O-N 2.82Å
94K63.9Low76.8Confident65 Ų6564.4 Ų64.428%0.28331%0.31SS..  trans-82.5111.3-179.2-68.8-178.3-175.31750110L89 D96L89-K94 HydrophobicContact CB-CG 4.25Å; L89-K94 VanDerWaalsContact O-CE 3.28Å; L89-K94 WeakPolarHBondContact O-CE 3.38Å; K94-D96 PolarHBondContact O-N 3.38Å
95K59.8Low76.9Confident173 Ų17364.8 Ų64.875%0.75231%0.312SS*.SBendtrans-62.8-29.1169.3-65.7-175.7-177.9174.50112.2G93G93-K95 PolarHBondContact O-N 2.82Å
96D62.2Low76.9Confident82 Ų8269.9 Ų69.944%0.43933%0.334SS..SBendtrans-145.3123173.6-176.7-11.8000108.7K94 K98 K99K94-D96 PolarHBondContact O-N 3.38Å; D96-K98 PolarHBondContact O-N 3.31Å; D96-K98 PolarHBondContact OD1-N 2.96Å; D96-K99 HydrophobicContact CB-CB 3.98Å; D96-K99 PolarHBondContact O-N 3.23Å
97V58.7Low77.1Confident115 Ų11569.6 Ų69.670%0.69733%0.334SS*.THydrogen-bonded Turntrans-64.4-27-176.1-1780000111.7
98K58.7Low77.3Confident166 Ų16673.3 Ų73.372%0.72235%0.354SS*.THydrogen-bonded Turntrans-90.5-16.6-176.5-63.8-174.5179.3-177.30113.5D96D96-K98 PolarHBondContact O-N 3.31Å; D96-K98 PolarHBondContact OD1-N 2.96Å
99K68.4Low77.9Confident148 Ų14873.4 Ų73.464%0.64336%0.355SS*.SBendtrans-95.6122.8-174.1-161.7172.5-177.7176.10111.4D96 N101D96-K99 HydrophobicContact CB-CB 3.98Å; D96-K99 PolarHBondContact O-N 3.23Å; K99-N101 PolarHBondContact O-ND2 3.02Å
100K75.7Confident78.4Confident66 Ų6676 Ų7629%0.28737%0.369SS..PPolyproline II helixtrans-67.2136.7171.4-70.5-177.6168.9-150.10110.9Q66 E86 Y102Q66-K100 VanDerWaalsContact CD-CE 3.48Å; Q66-K100 HydrophobicContact CG-CD 4.01Å; E86-K100 VanDerWaalsContact OE1-CD 3.26Å; E86-K100 WeakPolarHBondContact OE1-CD 3.48Å; E86-K100 VanDerWaalsContact OE1-CE 3.25Å; E86-K100 WeakPolarHBondContact OE1-CE 3.43Å; E86-K100 IonicContact OE1-NZ 2.92Å; E86-K100 PolarHBondContact OE1-NZ 3.42Å; E86-K100 IonicContact OE2-NZ 3.64Å; K100-Y102 HydrophobicContact CB-CD2 4.31Å; K100-Y102 HydrophobicContact CB-CE2 3.49Å; K100-Y102 VanDerWaalsContact CB-CE2 3.49Å; K100-Y102 WeakPolarHBondContact CD-OH 3.46Å; K100-Y102 WeakPolarHBondContact O-CD2 3.49Å
101N86.2Confident79.2Confident23 Ų2374.7 Ų74.712%0.12336%0.361CS..EExtended strand (participates in β ladder)trans-97.9138.1-178.8-62.9-72.8000109.2L87 L89 K99 Y122L87-N101 HydrophobicContact CB-CB 4.16Å; L87-N101 PolarHBondContact N-O 3.37Å; L89-N101 HydrophobicContact CD1-CB 3.99Å; L89-N101 WeakPolarHBondContact CD1-ND2 3.3Å; L89-N101 HydrophobicContact CG-CB 4.34Å; K99-N101 PolarHBondContact O-ND2 3.02Å; N101-Y122 HydrophobicContact CB-CE1 4.14Å; N101-Y122 WeakPolarHBondContact OD1-CE1 3.25Å
102Y89.1Confident80.2Confident41 Ų4174 Ų7416%0.16136%0.359CS..EExtended strand (participates in β ladder)trans-134.3149-177.9-63.2-93.6000110.2K69 T84 L85 E86 K100K69-Y102 HydrophobicContact CD-CD2 3.98Å; K69-Y102 HydrophobicContact CD-CE2 3.77Å; K69-Y102 HydrophobicContact CD-CG 4.4Å; K69-Y102 VanDerWaalsContact CE-CD2 3.49Å; T84-Y102 HydrophobicContact CG2-CD1 3.9Å; T84-Y102 HydrophobicContact CG2-CG 4.48Å; L85-Y102 CarbonylContact O-C 3.48Å; L85-Y102 WeakPolarHBondContact O-CA 3.47Å; E86-Y102 HydrophobicContact CB-CD1 4.1Å; E86-Y102 HydrophobicContact CB-CE1 3.89Å; E86-Y102 HydrophobicContact CG-CE1 4.07Å; K100-Y102 HydrophobicContact CB-CD2 4.31Å; K100-Y102 HydrophobicContact CB-CE2 3.49Å; K100-Y102 VanDerWaalsContact CB-CE2 3.49Å; K100-Y102 WeakPolarHBondContact CD-OH 3.46Å; K100-Y102 WeakPolarHBondContact O-CD2 3.49Å
103L92.4Very high81.5Confident4 Ų471.9 Ų71.92%0.02135%0.348CS..EExtended strand (participates in β ladder)trans-130.6128.6175.818070.2000109.6L85 L87 I114 R117 I118L85-L103 PolarHBondContact N-O 3.32Å; L85-L103 PolarHBondContact O-N 2.79Å; L87-L103 HydrophobicContact CD1-CB 3.83Å; L87-L103 HydrophobicContact CD2-CB 4.43Å; L87-L103 HydrophobicContact CG-CB 4.13Å; L103-I114 HydrophobicContact CD2-CD1 4.25Å; L103-I114 HydrophobicContact CD2-CG2 3.72Å; L103-R117 HydrophobicContact CD1-CG 4.4Å; L103-I118 HydrophobicContact CD2-CD1 4.15Å; L103-I118 HydrophobicContact CD2-CG1 3.86Å
104E93.9Very high83.1Confident106 Ų10671.6 Ų71.650%0.49534%0.344SS..EExtended strand (participates in β ladder)trans-96.8125.5174.7-71.8177.3-177.200110V82 A83 R117V82-E104 HydrophobicContact CG1-CB 3.9Å; A83-E104 WeakPolarHBondContact O-CA 3.37Å; E104-R117 PolarHBondContact O-NH1 2.89Å
105T95.1Very high84.4Confident11 Ų1170.1 Ų70.17%0.06734%0.339CS..EExtended strand (participates in β ladder)trans-157154.3-176.9-170.90000111.3A83 L85 I114 L142A83-T105 WeakPolarHBondContact CA-O 3.4Å; A83-T105 WeakPolarHBondContact CB-O 3.48Å; A83-T105 PolarHBondContact N-O 3.37Å; A83-T105 PolarHBondContact O-N 3.35Å; A83-T105 VanDerWaalsContact O-O 3.11Å; L85-T105 HydrophobicContact CD1-CG2 3.47Å; L85-T105 VanDerWaalsContact CD1-CG2 3.47Å; L85-T105 HydrophobicContact CG-CG2 4.09Å; T105-I114 HydrophobicContact CG2-CD1 3.81Å; T105-I114 WeakPolarHBondContact OG1-CD1 3.12Å; T105-L142 HydrophobicContact CG2-CD1 4.08Å
106K94.8Very high85.7Confident107 Ų10764.8 Ų64.847%0.46533%0.326SS..  trans-71.9156163.7-59.3-177.2174.7-176.80109.9V82 D108 V109V82-K106 HydrophobicContact CG2-CG 4.35Å; K106-D108 WeakPolarHBondContact CB-OD1 3.45Å; K106-V109 HydrophobicContact CB-CG1 4.3Å; K106-V109 WeakPolarHBondContact O-CG2 3.41Å
107L94.7Very high87.1Confident15 Ų1566.7 Ų66.78%0.07933%0.327CS..SBendtrans-89.8-10.2-179.3-61176.6000113.1Y77 A83 L85 V109 L142 D143 V147Y77-L107 HydrophobicContact CE2-CD1 3.93Å; Y77-L107 HydrophobicContact CE2-CG 4.47Å; A83-L107 HydrophobicContact CB-CD1 4.08Å; A83-L107 HydrophobicContact CB-CD2 3.56Å; A83-L107 HydrophobicContact CB-CG 3.67Å; L85-L107 HydrophobicContact CD2-CD2 4.35Å; L107-V109 VanDerWaalsContact C-N 3.25Å; L107-V109 PolarHBondContact O-N 3.41Å; L107-L142 HydrophobicContact CD2-CB 4.5Å; L107-L142 HydrophobicContact CD2-CD1 4.46Å; L107-L142 WeakPolarHBondContact O-CB 3.43Å; L107-L142 PolarHBondContact O-N 3.29Å; L107-D143 HydrophobicContact CB-CB 4.08Å; L107-D143 PolarHBondContact O-N 3.19Å; L107-V147 HydrophobicContact CD2-CG1 4Å
108D93.6Very high88.6Confident81 Ų8161.2 Ų61.243%0.43329%0.294SS..SBendtrans-82.71.4178.660.8-14.5000114.3K106 R141K106-D108 WeakPolarHBondContact CB-OD1 3.45Å; D108-R141 PolarHBondContact O-NE 2.77Å
109V94.9Very high89.9Confident37 Ų3754.4 Ų54.422%0.22427%0.269CS..SBendtrans-86.4158.3179.3-56.50000111.8K106 L107 I114 R141 L142K106-V109 HydrophobicContact CB-CG1 4.3Å; K106-V109 WeakPolarHBondContact O-CG2 3.41Å; L107-V109 VanDerWaalsContact C-N 3.25Å; L107-V109 PolarHBondContact O-N 3.41Å; V109-I114 HydrophobicContact CG2-CD1 3.8Å; V109-I114 HydrophobicContact CG2-CG1 3.71Å; V109-R141 CarbonylContact O-C 3.51Å; V109-R141 VanDerWaalsContact O-CA 3.29Å; V109-R141 WeakPolarHBondContact O-CA 3.3Å; V109-L142 HydrophobicContact CG2-CD1 3.96Å; V109-L142 HydrophobicContact CG2-CG 4.22Å; V109-L142 PolarHBondContact O-N 2.88Å
110L94.3Very high90.8Very high64 Ų6455.3 Ų55.334%0.33528%0.276SS..BIsolated β-bridgetrans-71.7146.6175.6-61.7177.3000111.2Q112 D113 E139 R141L110-Q112 PolarHBondContact O-N 3.15Å; L110-D113 PolarHBondContact O-N 3.08Å; L110-E139 WeakPolarHBondContact CD2-O 3.36Å; L110-R141 HydrophobicContact CD2-CG 4.06Å
111A92.6Very high91.4Very high0 Ų056.3 Ų56.30%028%0.281CS..Hα-helixtrans-61.5-32.6176.300000112.2D113 I114 M115 L136 T137 P138 K140 L142A111-D113 PolarHBondContact O-N 3.33Å; A111-I114 WeakPolarHBondContact O-CB 3.42Å; A111-I114 PolarHBondContact O-N 3.35Å; A111-M115 VanDerWaalsContact O-CG 3.27Å; A111-M115 WeakPolarHBondContact O-CG 3.35Å; A111-M115 PolarHBondContact O-N 2.89Å; A111-L136 HydrophobicContact CB-CB 4.42Å; A111-T137 WeakPolarHBondContact CB-O 3.36Å; A111-P138 PolarHBondContact N-O 2.82Å; A111-K140 PolarHBondContact N-O 3.15Å; A111-L142 HydrophobicContact CB-CD2 4.02Å
112Q90.8Very high91.3Very high104 Ų10456.4 Ų56.449%0.48628%0.28SS..Hα-helixtrans-59.9-40.5176.7-172.6177.25.100113.3L110 I114 M115 A116 P138L110-Q112 PolarHBondContact O-N 3.15Å; Q112-I114 PolarHBondContact O-N 2.93Å; Q112-M115 WeakPolarHBondContact O-CB 3.34Å; Q112-M115 PolarHBondContact O-N 3.48Å; Q112-A116 PolarHBondContact O-N 3.49Å; Q112-P138 HydrophobicContact CB-CB 3.98Å; Q112-P138 WeakPolarHBondContact CB-O 3.31Å; Q112-P138 PolarHBondContact N-O 3.27Å
113D91.3Very high90.8Very high91 Ų9157.5 Ų57.549%0.48730%0.304SS..Hα-helixtrans-64-37179.3-61.9-33.3000110.8L110 A111 A116 R117L110-D113 PolarHBondContact O-N 3.08Å; A111-D113 PolarHBondContact O-N 3.33Å; D113-A116 PolarHBondContact O-N 3.21Å; D113-R117 WeakPolarHBondContact O-CB 3.36Å; D113-R117 PolarHBondContact O-N 2.69Å
114I93.6Very high90.2Very high4 Ų457.9 Ų57.92%0.02131%0.306CS..Hα-helixtrans-71.7-40.4178.3-60.6-66.4000110.9L103 T105 V109 A111 Q112 A116 R117 I118 L129 L142L103-I114 HydrophobicContact CD2-CD1 4.25Å; L103-I114 HydrophobicContact CD2-CG2 3.72Å; T105-I114 HydrophobicContact CG2-CD1 3.81Å; T105-I114 WeakPolarHBondContact OG1-CD1 3.12Å; V109-I114 HydrophobicContact CG2-CD1 3.8Å; V109-I114 HydrophobicContact CG2-CG1 3.71Å; A111-I114 WeakPolarHBondContact O-CB 3.42Å; A111-I114 PolarHBondContact O-N 3.35Å; Q112-I114 PolarHBondContact O-N 2.93Å; I114-A116 VanDerWaalsContact C-N 3.34Å; I114-A116 PolarHBondContact O-N 2.76Å; I114-R117 PolarHBondContact O-N 3.28Å; I114-I118 HydrophobicContact CG2-CD1 3.81Å; I114-I118 HydrophobicContact CG2-CG1 4.44Å; I114-I118 WeakPolarHBondContact O-CB 3.36Å; I114-I118 WeakPolarHBondContact O-CG1 3.39Å; I114-I118 PolarHBondContact O-N 2.97Å; I114-L129 HydrophobicContact CG2-CD1 4.07Å; I114-L142 HydrophobicContact CD1-CD1 4.39Å; I114-L142 HydrophobicContact CG1-CD1 3.87Å; I114-L142 HydrophobicContact CG1-CG 4.39Å
115M90.9Very high89Confident35 Ų3558.6 Ų58.617%0.17231%0.307CS..Hα-helixtrans-58.9-46.2171.7-67.6160.875.800111.3A111 Q112 R117 I118 A119 I127 L129 P138A111-M115 VanDerWaalsContact O-CG 3.27Å; A111-M115 WeakPolarHBondContact O-CG 3.35Å; A111-M115 PolarHBondContact O-N 2.89Å; Q112-M115 WeakPolarHBondContact O-CB 3.34Å; Q112-M115 PolarHBondContact O-N 3.48Å; M115-R117 PolarHBondContact O-N 3.36Å; M115-I118 PolarHBondContact O-N 3.11Å; M115-A119 VanDerWaalsContact O-CB 3.23Å; M115-A119 WeakPolarHBondContact O-CB 3.38Å; M115-A119 PolarHBondContact O-N 3.07Å; M115-I127 HydrophobicContact CB-CD1 4.3Å; M115-I127 HydrophobicContact CB-CG1 4.2Å; M115-I127 WeakPolarHBondContact CE-O 3.48Å; M115-I127 HydrophobicContact CG-CG1 4.45Å; M115-I127 WeakPolarHBondContact O-CD1 3.45Å; M115-L129 HydrophobicContact CG-CD1 3.65Å; M115-L129 HydrophobicContact CG-CD2 4.43Å; M115-L129 HydrophobicContact CG-CG 3.7Å; M115-P138 HydrophobicContact CE-CG 4.38Å; M115-P138 HydrophobicContact SD-CB 4.24Å; M115-P138 HydrophobicContact SD-CG 4.18Å
116A87.8Confident88Confident60 Ų6063.4 Ų63.450%0.49633%0.325SS..Hα-helixtrans-60.9-43.9178.200000111.9Q112 D113 I114 A119 E120Q112-A116 PolarHBondContact O-N 3.49Å; D113-A116 PolarHBondContact O-N 3.21Å; I114-A116 VanDerWaalsContact C-N 3.34Å; I114-A116 PolarHBondContact O-N 2.76Å; A116-A119 WeakPolarHBondContact O-CB 3.38Å; A116-A119 PolarHBondContact O-N 3.08Å; A116-E120 PolarHBondContact O-N 2.82Å
117R91.3Very high87.5Confident122 Ų12259 Ų5946%0.4631%0.306SS..Hα-helixtrans-66.4-40.5179.3-162.4171.9-178.1-152.7-1.8112.8L103 E104 D113 I114 M115 Q121L103-R117 HydrophobicContact CD1-CG 4.4Å; E104-R117 PolarHBondContact O-NH1 2.89Å; D113-R117 WeakPolarHBondContact O-CB 3.36Å; D113-R117 PolarHBondContact O-N 2.69Å; I114-R117 PolarHBondContact O-N 3.28Å; M115-R117 PolarHBondContact O-N 3.36Å; R117-Q121 WeakPolarHBondContact O-CB 3.21Å; R117-Q121 PolarHBondContact O-N 3.35Å
118I90.4Very high87.1Confident0 Ų059.5 Ų59.50%031%0.308CS..Hα-helixtrans-65.7-43.8174.6-67.1169.1000110.3L87 L89 L103 I114 M115 E120 Q121 Y122 L124 I127 L129 V155L87-I118 HydrophobicContact CD1-CD1 3.9Å; L87-I118 HydrophobicContact CD1-CG1 3.73Å; L87-I118 HydrophobicContact CD1-CG2 4.4Å; L87-I118 HydrophobicContact CD2-CD1 3.68Å; L87-I118 HydrophobicContact CD2-CG1 4.44Å; L87-I118 HydrophobicContact CG-CD1 4.46Å; L89-I118 HydrophobicContact CD2-CG2 4.34Å; L103-I118 HydrophobicContact CD2-CD1 4.15Å; L103-I118 HydrophobicContact CD2-CG1 3.86Å; I114-I118 HydrophobicContact CG2-CD1 3.81Å; I114-I118 HydrophobicContact CG2-CG1 4.44Å; I114-I118 WeakPolarHBondContact O-CB 3.36Å; I114-I118 WeakPolarHBondContact O-CG1 3.39Å; I114-I118 PolarHBondContact O-N 2.97Å; M115-I118 PolarHBondContact O-N 3.11Å; I118-E120 VanDerWaalsContact C-N 3.35Å; I118-E120 PolarHBondContact O-N 2.67Å; I118-Q121 PolarHBondContact O-N 3.47Å; I118-Y122 HydrophobicContact CG2-CD2 3.96Å; I118-Y122 WeakPolarHBondContact O-CD2 3.38Å; I118-Y122 PolarHBondContact O-N 3.35Å; I118-L124 HydrophobicContact CG2-CD1 4.42Å; I118-I127 HydrophobicContact CB-CD1 3.73Å; I118-I127 HydrophobicContact CG2-CD1 3.55Å; I118-L129 HydrophobicContact CD1-CD1 4.47Å; I118-L129 HydrophobicContact CD1-CD2 3.9Å; I118-V155 HydrophobicContact CD1-CG2 4.3Å; I118-V155 HydrophobicContact CG2-CG1 4.08Å; I118-V155 HydrophobicContact CG2-CG2 4.08Å
119A86.6Confident86.9Confident24 Ų2455.6 Ų55.620%0.19829%0.287CS..Hα-helixtrans-56.8-48.5177.600000111.4M115 A116 G123 L124M115-A119 VanDerWaalsContact O-CB 3.23Å; M115-A119 WeakPolarHBondContact O-CB 3.38Å; M115-A119 PolarHBondContact O-N 3.07Å; A116-A119 WeakPolarHBondContact O-CB 3.38Å; A116-A119 PolarHBondContact O-N 3.08Å; A119-G123 CarbonylContact O-C 3.6Å; A119-G123 WeakPolarHBondContact O-CA 3.34Å; A119-G123 PolarHBondContact O-N 3.39Å; A119-L124 CarbonylContact C-O 3.03Å; A119-L124 WeakPolarHBondContact CA-O 3.34Å; A119-L124 WeakPolarHBondContact CB-O 3.48Å; A119-L124 PolarHBondContact O-N 2.89Å; A119-L124 VanDerWaalsContact O-O 3.12Å
120E86.8Confident86.6Confident167 Ų16753.9 Ų53.978%0.7828%0.276SS*.Hα-helixtrans-64.7-51177.1-173.3-179.9-169.400112.3A116 I118 Y122 G123A116-E120 PolarHBondContact O-N 2.82Å; I118-E120 VanDerWaalsContact C-N 3.35Å; I118-E120 PolarHBondContact O-N 2.67Å; E120-Y122 VanDerWaalsContact C-N 3.33Å; E120-Y122 PolarHBondContact O-N 2.96Å; E120-G123 PolarHBondContact O-N 3.44Å
121Q87.3Confident86.3Confident86 Ų8651.2 Ų51.240%0.40226%0.263SS..Hα-helixtrans-63.5-36.7-173.4-177.2177.1-1.100113.3R117 I118R117-Q121 WeakPolarHBondContact O-CB 3.21Å; R117-Q121 PolarHBondContact O-N 3.35Å; I118-Q121 PolarHBondContact O-N 3.47Å
122Y84.3Confident85.9Confident26 Ų2655.6 Ų55.610%0.10229%0.286CS..Hα-helixtrans-107.44.4-174.8-61.3-78000113.3L87 L89 N101 I118 E120 L124L87-Y122 HydrophobicContact CD1-CE2 3.67Å; L89-Y122 HydrophobicContact CD1-CD1 3.23Å; L89-Y122 HydrophobicContact CD1-CD2 4.27Å; L89-Y122 HydrophobicContact CD1-CE1 3.47Å; L89-Y122 VanDerWaalsContact CD1-CE1 3.47Å; L89-Y122 HydrophobicContact CD1-CE2 4.47Å; L89-Y122 HydrophobicContact CD1-CG 3.68Å; L89-Y122 HydrophobicContact CD2-CD1 4.44Å; L89-Y122 HydrophobicContact CD2-CD2 4.05Å; L89-Y122 HydrophobicContact CD2-CE2 4.42Å; L89-Y122 HydrophobicContact CD2-CG 4.07Å; L89-Y122 HydrophobicContact CG-CD1 4.47Å; N101-Y122 HydrophobicContact CB-CE1 4.14Å; N101-Y122 WeakPolarHBondContact OD1-CE1 3.25Å; I118-Y122 HydrophobicContact CG2-CD2 3.96Å; I118-Y122 WeakPolarHBondContact O-CD2 3.38Å; I118-Y122 PolarHBondContact O-N 3.35Å; E120-Y122 VanDerWaalsContact C-N 3.33Å; E120-Y122 PolarHBondContact O-N 2.96Å; Y122-L124 PolarHBondContact O-N 3Å
123G79.4Confident85.1Confident64 Ų6450.9 Ų50.966%0.6627%0.265SS*.THydrogen-bonded Turntrans62.423.4-177.600000112.9A119 E120A119-G123 CarbonylContact O-C 3.6Å; A119-G123 WeakPolarHBondContact O-CA 3.34Å; A119-G123 PolarHBondContact O-N 3.39Å; E120-G123 PolarHBondContact O-N 3.44Å
124L79.4Confident84.8Confident11 Ų1153.5 Ų53.56%0.05827%0.272CS..  trans-85.1140.2178.1-63.4176.3000108.6L89 P90 I118 A119 Y122 I127 V155L89-L124 HydrophobicContact CD2-CD1 3.89Å; P90-L124 HydrophobicContact CG-CD2 4.48Å; I118-L124 HydrophobicContact CG2-CD1 4.42Å; A119-L124 CarbonylContact C-O 3.03Å; A119-L124 WeakPolarHBondContact CA-O 3.34Å; A119-L124 WeakPolarHBondContact CB-O 3.48Å; A119-L124 PolarHBondContact O-N 2.89Å; A119-L124 VanDerWaalsContact O-O 3.12Å; Y122-L124 PolarHBondContact O-N 3Å; L124-I127 HydrophobicContact CB-CG2 3.73Å; L124-I127 HydrophobicContact CD1-CG2 4.23Å; L124-V155 HydrophobicContact CD1-CG1 3.84Å
125K69.6Low84.4Confident121 Ų12155.3 Ų55.353%0.52628%0.284SS..  trans-118.5141.7171.8-62.7-175.2178.7-1750107.9
126Y73.1Confident84.4Confident113 Ų11354 Ų5444%0.44328%0.277SS..SBendtrans56.283.7177.2-44.2-74.4000112.5V158 P161 K174Y126-V158 WeakPolarHBondContact O-CB 3.3Å; Y126-V158 PolarHBondContact O-N 2.78Å; Y126-P161 HydrophobicContact CE2-CG 4.48Å; Y126-K174 HydrophobicContact CE1-CG 4.38Å
127I84.4Confident84.4Confident13 Ų1353.5 Ų53.57%0.06727%0.268CS..EExtended strand (participates in β ladder)trans-118.1148.4-17862.6174.4000111.3M115 I118 L124 L129 V155 L156M115-I127 HydrophobicContact CB-CD1 4.3Å; M115-I127 HydrophobicContact CB-CG1 4.2Å; M115-I127 WeakPolarHBondContact CE-O 3.48Å; M115-I127 HydrophobicContact CG-CG1 4.45Å; M115-I127 WeakPolarHBondContact O-CD1 3.45Å; I118-I127 HydrophobicContact CB-CD1 3.73Å; I118-I127 HydrophobicContact CG2-CD1 3.55Å; L124-I127 HydrophobicContact CB-CG2 3.73Å; L124-I127 HydrophobicContact CD1-CG2 4.23Å; I127-L129 HydrophobicContact CD1-CD2 4.37Å; I127-V155 HydrophobicContact CB-CG1 3.84Å; I127-V155 HydrophobicContact CD1-CG1 3.87Å; I127-V155 HydrophobicContact CG1-CG1 4.45Å; I127-V155 HydrophobicContact CG2-CG1 3.79Å; I127-L156 CarbonylContact C-O 3.47Å; I127-L156 WeakPolarHBondContact CA-O 3.45Å
128K86.4Confident84.2Confident26 Ų2649.4 Ų49.411%0.11326%0.257CS..EExtended strand (participates in β ladder)trans-112.2146.4163.7-72.2-173.9174.5-1700109.4T135 L156 V158 D178K128-T135 HydrophobicContact CB-CG2 4.46Å; K128-T135 HydrophobicContact CD-CG2 4.28Å; K128-L156 HydrophobicContact CB-CB 4.4Å; K128-L156 PolarHBondContact N-O 3.08Å; K128-L156 PolarHBondContact O-N 3.09Å; K128-V158 HydrophobicContact CD-CG2 4.42Å; K128-V158 HydrophobicContact CG-CG2 4.08Å; K128-D178 VanDerWaalsContact CE-OD1 3.25Å; K128-D178 WeakPolarHBondContact CE-OD1 3.12Å; K128-D178 IonicContact NZ-OD1 3.8Å; K128-D178 PolarHBondContact NZ-OD1 3.27Å
129L90.1Very high84.1Confident0 Ų055.6 Ų55.60%029%0.286CS..EExtended strand (participates in β ladder)trans-103.8128.3175.8-57.8-176.2000109I114 M115 I118 I127 L136 I153 M154 V155I114-L129 HydrophobicContact CG2-CD1 4.07Å; M115-L129 HydrophobicContact CG-CD1 3.65Å; M115-L129 HydrophobicContact CG-CD2 4.43Å; M115-L129 HydrophobicContact CG-CG 3.7Å; I118-L129 HydrophobicContact CD1-CD1 4.47Å; I118-L129 HydrophobicContact CD1-CD2 3.9Å; I127-L129 HydrophobicContact CD1-CD2 4.37Å; L129-L136 HydrophobicContact CB-CB 4.15Å; L129-L136 HydrophobicContact CB-CD1 3.8Å; L129-L136 HydrophobicContact CB-CG 4.09Å; L129-L136 HydrophobicContact CD1-CD1 4.3Å; L129-L136 PolarHBondContact O-N 3.32Å; L129-I153 HydrophobicContact CB-CG2 3.78Å; L129-I153 HydrophobicContact CD1-CG2 4.43Å; L129-I153 HydrophobicContact CD2-CG2 3.94Å; L129-I153 HydrophobicContact CG-CG2 4.24Å; L129-M154 WeakPolarHBondContact CA-O 3.29Å; L129-V155 HydrophobicContact CD2-CG2 3.94Å
130I87.6Confident84.4Confident0 Ų059.4 Ų59.40%030%0.298CS..EExtended strand (participates in β ladder)trans-122.4127.3179.6-58.3-179.7000108.9K134 M154 L156 L249 L253I130-K134 CarbonylContact C-O 3.47Å; I130-K134 WeakPolarHBondContact CA-O 3.3Å; I130-M154 HydrophobicContact CB-CB 4.28Å; I130-M154 HydrophobicContact CB-CE 4.13Å; I130-M154 HydrophobicContact CD1-CE 3.61Å; I130-M154 HydrophobicContact CG1-CE 4.28Å; I130-M154 HydrophobicContact CG2-CE 4.49Å; I130-M154 PolarHBondContact N-O 3.4Å; I130-M154 PolarHBondContact O-N 3.06Å; I130-L156 HydrophobicContact CD1-CB 4.42Å; I130-L156 HydrophobicContact CD1-CD2 4.12Å; I130-L249 HydrophobicContact CD1-CD2 3.98Å; I130-L253 HydrophobicContact CD1-CD1 4.08Å; I130-L253 HydrophobicContact CG2-CD1 4.41Å
131L89.3Confident84.8Confident8 Ų855.3 Ų55.34%0.04228%0.276CS..EExtended strand (participates in β ladder)trans-125.4122.4176178.366.8000109G133 K134 L136 V147 K152L131-G133 PolarHBondContact O-N 3.04Å; L131-G133 VanDerWaalsContact O-N 3.16Å; L131-K134 PolarHBondContact N-O 3.29Å; L131-K134 PolarHBondContact O-N 3.24Å; L131-L136 HydrophobicContact CB-CD2 4.07Å; L131-V147 HydrophobicContact CD2-CB 4.31Å; L131-V147 HydrophobicContact CD2-CG2 3.8Å; L131-K152 VanDerWaalsContact CD1-O 3.3Å; L131-K152 WeakPolarHBondContact CD1-O 3.46Å
132N82.9Confident85.2Confident93 Ų9351.2 Ų51.250%0.49726%0.256SS..THydrogen-bonded Turntrans48.443.6177.1-60-24.7000113.5K134N132-K134 VanDerWaalsContact C-N 3.26Å; N132-K134 PolarHBondContact O-N 2.97Å
133G75.4Confident85.6Confident4 Ų453.1 Ų53.14%0.04127%0.268CS..THydrogen-bonded Turntrans73.68.4-179.100000116L131 L253 Y284 D295L131-G133 PolarHBondContact O-N 3.04Å; L131-G133 VanDerWaalsContact O-N 3.16Å; G133-L253 WeakPolarHBondContact O-CD2 3.31Å; G133-Y284 WeakPolarHBondContact CA-OH 3.43Å; G133-D295 WeakPolarHBondContact CA-OD2 3.33Å
134K83.9Confident86.4Confident146 Ų14655.7 Ų55.764%0.63526%0.263SS*.EExtended strand (participates in β ladder)trans-109.6133.8172-64.5-173.7177.4-1750110.6I130 L131 N132I130-K134 CarbonylContact C-O 3.47Å; I130-K134 WeakPolarHBondContact CA-O 3.3Å; L131-K134 PolarHBondContact N-O 3.29Å; L131-K134 PolarHBondContact O-N 3.24Å; N132-K134 VanDerWaalsContact C-N 3.26Å; N132-K134 PolarHBondContact O-N 2.97Å
135T85.9Confident87Confident43 Ų4356.6 Ų56.626%0.26427%0.267SS..EExtended strand (participates in β ladder)trans-76.9127.3172-58.20000108.9K128K128-T135 HydrophobicContact CB-CG2 4.46Å; K128-T135 HydrophobicContact CD-CG2 4.28Å
136L90.4Very high88Confident7 Ų755 Ų554%0.03726%0.264CS..PPolyproline II helixtrans-71.4132.3175.9-56.2-175.4000109.9A111 L129 L131 L142 Q145 V147 I153A111-L136 HydrophobicContact CB-CB 4.42Å; L129-L136 HydrophobicContact CB-CB 4.15Å; L129-L136 HydrophobicContact CB-CD1 3.8Å; L129-L136 HydrophobicContact CB-CG 4.09Å; L129-L136 HydrophobicContact CD1-CD1 4.3Å; L129-L136 PolarHBondContact O-N 3.32Å; L131-L136 HydrophobicContact CB-CD2 4.07Å; L136-L142 HydrophobicContact CD1-CD2 4.21Å; L136-Q145 HydrophobicContact CD2-CB 3.85Å; L136-V147 HydrophobicContact CD1-CG2 3.93Å; L136-V147 HydrophobicContact CD2-CG2 4.16Å; L136-I153 HydrophobicContact CD1-CD1 4.46Å
137T88.2Confident89Confident50 Ų5049.7 Ų49.731%0.30724%0.244SC..PPolyproline II helixtrans-75.5122.6173.5-51.70000109.6A111 E139 K140 Q145A111-T137 WeakPolarHBondContact CB-O 3.36Å; T137-E139 VanDerWaalsContact C-N 3.28Å; T137-E139 VanDerWaalsContact CG2-OE2 3.25Å; T137-E139 WeakPolarHBondContact CG2-OE2 3.29Å; T137-E139 PolarHBondContact O-N 3.16Å; T137-K140 HydrophobicContact CG2-CD 4.23Å; T137-K140 HydrophobicContact CG2-CG 4.03Å; T137-K140 PolarHBondContact O-N 2.92Å; T137-Q145 PolarHBondContact O-NE2 3.43Å; T137-Q145 VanDerWaalsContact O-NE2 3.1Å
138P86.6Confident89.5Confident35 Ų3554.7 Ų54.723%0.22727%0.265CS..THydrogen-bonded Turntrans-57.2-36.9-176.7-25.433.9000114.3A111 Q112 M115 K140A111-P138 PolarHBondContact N-O 2.82Å; Q112-P138 HydrophobicContact CB-CB 3.98Å; Q112-P138 WeakPolarHBondContact CB-O 3.31Å; Q112-P138 PolarHBondContact N-O 3.27Å; M115-P138 HydrophobicContact CE-CG 4.38Å; M115-P138 HydrophobicContact SD-CB 4.24Å; M115-P138 HydrophobicContact SD-CG 4.18Å; P138-K140 VanDerWaalsContact C-N 3.32Å; P138-K140 PolarHBondContact O-N 2.9Å
139E88.6Confident89.8Confident130 Ų13054.7 Ų54.761%0.60727%0.266SS*.THydrogen-bonded Turntrans-82.9-5.6-173.7-56.273-15600113.6L110 T137L110-E139 WeakPolarHBondContact CD2-O 3.36Å; T137-E139 VanDerWaalsContact C-N 3.28Å; T137-E139 VanDerWaalsContact CG2-OE2 3.25Å; T137-E139 WeakPolarHBondContact CG2-OE2 3.29Å; T137-E139 PolarHBondContact O-N 3.16Å
140K92.3Very high89.8Confident105 Ų10556.3 Ų56.346%0.45728%0.275SS..SBendtrans-101.6154.1179.5-68.8-175.1-177.8178.30111.3A111 T137 P138 Q145A111-K140 PolarHBondContact N-O 3.15Å; T137-K140 HydrophobicContact CG2-CD 4.23Å; T137-K140 HydrophobicContact CG2-CG 4.03Å; T137-K140 PolarHBondContact O-N 2.92Å; P138-K140 VanDerWaalsContact C-N 3.32Å; P138-K140 PolarHBondContact O-N 2.9Å; K140-Q145 HydrophobicContact CB-CG 3.95Å; K140-Q145 HydrophobicContact CD-CG 4.35Å; K140-Q145 PolarHBondContact O-NE2 3.45Å
141R95.3Very high90Very high80 Ų8057.2 Ų57.230%0.30228%0.281SS..BIsolated β-bridgetrans-69.7156.3175.5-65.3168.762.8-125.3-6.2110.4D108 V109 L110 D143 E144 Q145D108-R141 PolarHBondContact O-NE 2.77Å; V109-R141 CarbonylContact O-C 3.51Å; V109-R141 VanDerWaalsContact O-CA 3.29Å; V109-R141 WeakPolarHBondContact O-CA 3.3Å; L110-R141 HydrophobicContact CD2-CG 4.06Å; R141-D143 WeakPolarHBondContact CB-OD1 3.27Å; R141-D143 IonicContact CZ-OD1 3.97Å; R141-D143 IonicContact CZ-OD2 3.48Å; R141-D143 VanDerWaalsContact CZ-OD2 3.3Å; R141-D143 IonicContact NE-OD1 2.72Å; R141-D143 IonicContact NH1-OD1 2.84Å; R141-D143 IonicContact NH1-OD2 3.67Å; R141-D143 PolarHBondContact NH1-OD2 2.87Å; R141-D143 IonicContact NH2-OD1 2.75Å; R141-D143 IonicContact NH2-OD2 3.4Å; R141-D143 PolarHBondContact NH2-OD2 3.43Å; R141-E144 HydrophobicContact CB-CB 4.46Å; R141-E144 HydrophobicContact CB-CG 4.17Å; R141-E144 PolarHBondContact N-OE2 3.38Å; R141-E144 IonicContact NH1-OE1 3.6Å; R141-E144 PolarHBondContact NH1-OE1 2.96Å; R141-Q145 WeakPolarHBondContact O-CG 3.26Å; R141-Q145 PolarHBondContact O-NE2 2.93Å
142L95.4Very high90Very high0 Ų061.2 Ų61.20%030%0.298CS..SBendtrans-66-43.4-180-69-176.1000111.5L85 T105 L107 V109 A111 I114 L136 E144 Q145 V147L85-L142 HydrophobicContact CD1-CD1 4.09Å; T105-L142 HydrophobicContact CG2-CD1 4.08Å; L107-L142 HydrophobicContact CD2-CB 4.5Å; L107-L142 HydrophobicContact CD2-CD1 4.46Å; L107-L142 WeakPolarHBondContact O-CB 3.43Å; L107-L142 PolarHBondContact O-N 3.29Å; V109-L142 HydrophobicContact CG2-CD1 3.96Å; V109-L142 HydrophobicContact CG2-CG 4.22Å; V109-L142 PolarHBondContact O-N 2.88Å; A111-L142 HydrophobicContact CB-CD2 4.02Å; I114-L142 HydrophobicContact CD1-CD1 4.39Å; I114-L142 HydrophobicContact CG1-CD1 3.87Å; I114-L142 HydrophobicContact CG1-CG 4.39Å; L136-L142 HydrophobicContact CD1-CD2 4.21Å; L142-E144 VanDerWaalsContact C-N 3.33Å; L142-E144 PolarHBondContact O-N 3.32Å; L142-Q145 PolarHBondContact O-N 3.06Å; L142-Q145 VanDerWaalsContact O-N 3.07Å; L142-V147 HydrophobicContact CB-CB 3.86Å; L142-V147 HydrophobicContact CB-CG1 4.18Å; L142-V147 HydrophobicContact CB-CG2 4.01Å; L142-V147 HydrophobicContact CD1-CG1 4.41Å; L142-V147 HydrophobicContact CD2-CG2 4.07Å; L142-V147 WeakPolarHBondContact O-CB 3.45Å; L142-V147 VanDerWaalsContact O-CG2 3.22Å; L142-V147 WeakPolarHBondContact O-CG2 3.25Å; L142-V147 PolarHBondContact O-N 3.14Å
143D94.3Very high90.4Very high66 Ų6656.8 Ų56.835%0.35328%0.275SS..G310 helixtrans-61.7-36.3179.559.1-8.1000113.4L107 R141 Q145 D146L107-D143 HydrophobicContact CB-CB 4.08Å; L107-D143 PolarHBondContact O-N 3.19Å; R141-D143 WeakPolarHBondContact CB-OD1 3.27Å; R141-D143 IonicContact CZ-OD1 3.97Å; R141-D143 IonicContact CZ-OD2 3.48Å; R141-D143 VanDerWaalsContact CZ-OD2 3.3Å; R141-D143 IonicContact NE-OD1 2.72Å; R141-D143 IonicContact NH1-OD1 2.84Å; R141-D143 IonicContact NH1-OD2 3.67Å; R141-D143 PolarHBondContact NH1-OD2 2.87Å; R141-D143 IonicContact NH2-OD1 2.75Å; R141-D143 IonicContact NH2-OD2 3.4Å; R141-D143 PolarHBondContact NH2-OD2 3.43Å; D143-Q145 PolarHBondContact O-N 2.85Å; D143-D146 PolarHBondContact O-N 3.21Å
144E94.5Very high90.9Very high119 Ų11957 Ų5756%0.55628%0.275SS*.G310 helixtrans-65.3-15.4174.5-70.6168.4-173.500113.7R141 L142R141-E144 HydrophobicContact CB-CB 4.46Å; R141-E144 HydrophobicContact CB-CG 4.17Å; R141-E144 PolarHBondContact N-OE2 3.38Å; R141-E144 IonicContact NH1-OE1 3.6Å; R141-E144 PolarHBondContact NH1-OE1 2.96Å; L142-E144 VanDerWaalsContact C-N 3.33Å; L142-E144 PolarHBondContact O-N 3.32Å
145Q92.7Very high91.1Very high30 Ų3050.2 Ų50.214%0.1425%0.245CC..G310 helixtrans-113.824.9-175.1-58.1-177.385.500112.4L136 T137 K140 R141 L142 D143 V147L136-Q145 HydrophobicContact CD2-CB 3.85Å; T137-Q145 PolarHBondContact O-NE2 3.43Å; T137-Q145 VanDerWaalsContact O-NE2 3.1Å; K140-Q145 HydrophobicContact CB-CG 3.95Å; K140-Q145 HydrophobicContact CD-CG 4.35Å; K140-Q145 PolarHBondContact O-NE2 3.45Å; R141-Q145 WeakPolarHBondContact O-CG 3.26Å; R141-Q145 PolarHBondContact O-NE2 2.93Å; L142-Q145 PolarHBondContact O-N 3.06Å; L142-Q145 VanDerWaalsContact O-N 3.07Å; D143-Q145 PolarHBondContact O-N 2.85Å; Q145-V147 PolarHBondContact O-N 3.28Å
146D91.9Very high90.9Very high86 Ų8648.6 Ų48.646%0.4624%0.235SC..THydrogen-bonded Turntrans62.419.9179.3-159.844.9000114.5D143 K148D143-D146 PolarHBondContact O-N 3.21Å; D146-K148 PolarHBondContact O-N 3.09Å; D146-K148 WeakPolarHBondContact OD1-CE 3.29Å; D146-K148 IonicContact OD1-NZ 2.56Å; D146-K148 PolarHBondContact OD1-NZ 2.9Å; D146-K148 IonicContact OD2-NZ 3.58Å
147V93.7Very high90.2Very high3 Ų351.3 Ų51.32%0.01825%0.245CC..  trans-75.1124.7171.1-173.20000108.7L85 L107 L131 L136 L142 Q145 I153L85-V147 HydrophobicContact CD1-CG1 4.45Å; L85-V147 HydrophobicContact CD2-CG1 3.77Å; L107-V147 HydrophobicContact CD2-CG1 4Å; L131-V147 HydrophobicContact CD2-CB 4.31Å; L131-V147 HydrophobicContact CD2-CG2 3.8Å; L136-V147 HydrophobicContact CD1-CG2 3.93Å; L136-V147 HydrophobicContact CD2-CG2 4.16Å; L142-V147 HydrophobicContact CB-CB 3.86Å; L142-V147 HydrophobicContact CB-CG1 4.18Å; L142-V147 HydrophobicContact CB-CG2 4.01Å; L142-V147 HydrophobicContact CD1-CG1 4.41Å; L142-V147 HydrophobicContact CD2-CG2 4.07Å; L142-V147 WeakPolarHBondContact O-CB 3.45Å; L142-V147 VanDerWaalsContact O-CG2 3.22Å; L142-V147 WeakPolarHBondContact O-CG2 3.25Å; L142-V147 PolarHBondContact O-N 3.14Å; Q145-V147 PolarHBondContact O-N 3.28Å; V147-I153 HydrophobicContact CG1-CD1 4.1Å
148K93.3Very high89.1Confident118 Ų11849.8 Ų49.851%0.51324%0.235SC..  trans-122.7168-177.3-68.2170.5-175.91480110.1D146 N150 S151D146-K148 PolarHBondContact O-N 3.09Å; D146-K148 WeakPolarHBondContact OD1-CE 3.29Å; D146-K148 IonicContact OD1-NZ 2.56Å; D146-K148 PolarHBondContact OD1-NZ 2.9Å; D146-K148 IonicContact OD2-NZ 3.58Å; K148-N150 PolarHBondContact O-N 3.36Å; K148-S151 PolarHBondContact N-OG 2.83Å; K148-S151 VanDerWaalsContact O-CB 3.24Å; K148-S151 WeakPolarHBondContact O-CB 3.29Å; K148-S151 PolarHBondContact O-N 3.13Å; K148-S151 PolarHBondContact O-OG 3.16Å; K148-S151 VanDerWaalsContact O-OG 3.12Å
149N93.3Very high87.2Confident26 Ų2651.3 Ų51.314%0.13925%0.247CC..THydrogen-bonded Turntrans-58131.3170.8-173.436.6000110.9N74 Y77 A83 T84 S151N74-N149 PolarHBondContact OD1-ND2 3.18Å; N74-N149 VanDerWaalsContact OD1-ND2 3.12Å; Y77-N149 WeakPolarHBondContact CB-ND2 3.32Å; Y77-N149 HydrophobicContact CD1-CB 3.93Å; Y77-N149 HydrophobicContact CD2-CB 4.02Å; Y77-N149 HydrophobicContact CE1-CB 4.17Å; Y77-N149 HydrophobicContact CE2-CB 4.24Å; Y77-N149 HydrophobicContact CG-CB 3.85Å; A83-N149 WeakPolarHBondContact CA-OD1 3.16Å; A83-N149 HydrophobicContact CB-CB 4.18Å; T84-N149 PolarHBondContact N-OD1 3.38Å; N149-S151 VanDerWaalsContact C-N 3.29Å
150N90.4Very high85.2Confident34 Ų3449.6 Ų49.618%0.18224%0.239CC..THydrogen-bonded Turntrans67.318.7-171.8-43.9-75.1000115.5N74 T84 K148N74-N150 PolarHBondContact OD1-ND2 3.46Å; T84-N150 WeakPolarHBondContact O-CA 3.26Å; T84-N150 PolarHBondContact O-N 2.87Å; K148-N150 PolarHBondContact O-N 3.36Å
151S91.1Very high83.1Confident18 Ų1847.8 Ų47.813%0.12624%0.238CC..  trans-58.1141168.1-81.50000110.9E86 K148 N149E86-S151 PolarHBondContact N-O 3.37Å; K148-S151 PolarHBondContact N-OG 2.83Å; K148-S151 VanDerWaalsContact O-CB 3.24Å; K148-S151 WeakPolarHBondContact O-CB 3.29Å; K148-S151 PolarHBondContact O-N 3.13Å; K148-S151 PolarHBondContact O-OG 3.16Å; K148-S151 VanDerWaalsContact O-OG 3.12Å; N149-S151 VanDerWaalsContact C-N 3.29Å
152K89.6Confident80.4Confident93 Ų9353.4 Ų53.440%0.40427%0.267SS..EExtended strand (participates in β ladder)trans-96.6112173.9-63.7179.1-179.11730108.7E86 L131E86-K152 HydrophobicContact CB-CG 4.14Å; E86-K152 HydrophobicContact CG-CG 4.42Å; E86-K152 CarbonylContact O-C 3.6Å; E86-K152 WeakPolarHBondContact O-CA 3.29Å; E86-K152 WeakPolarHBondContact OE2-CE 3.41Å; L131-K152 VanDerWaalsContact CD1-O 3.3Å; L131-K152 WeakPolarHBondContact CD1-O 3.46Å
153I90.6Very high77.5Confident0 Ų062.7 Ų62.70%030%0.303CS..EExtended strand (participates in β ladder)trans-107.4122.2-177-59-178.5000108.3L85 E86 L87 L88 L129 L136 V147L85-I153 HydrophobicContact CB-CD1 4.47Å; L85-I153 HydrophobicContact CD1-CD1 3.82Å; L85-I153 HydrophobicContact CD2-CD1 4.45Å; L85-I153 HydrophobicContact CG-CD1 4.47Å; E86-I153 PolarHBondContact O-N 2.94Å; L87-I153 HydrophobicContact CD2-CB 4.33Å; L88-I153 PolarHBondContact N-O 2.7Å; L129-I153 HydrophobicContact CB-CG2 3.78Å; L129-I153 HydrophobicContact CD1-CG2 4.43Å; L129-I153 HydrophobicContact CD2-CG2 3.94Å; L129-I153 HydrophobicContact CG-CG2 4.24Å; L136-I153 HydrophobicContact CD1-CD1 4.46Å; V147-I153 HydrophobicContact CG1-CD1 4.1Å
154M86.3Confident74.9Confident9 Ų968.7 Ų68.74%0.04433%0.325CS..EExtended strand (participates in β ladder)trans-78.3127.9170-173.2174.180.400109.5L129 I130 L156 L249 A289L129-M154 WeakPolarHBondContact CA-O 3.29Å; I130-M154 HydrophobicContact CB-CB 4.28Å; I130-M154 HydrophobicContact CB-CE 4.13Å; I130-M154 HydrophobicContact CD1-CE 3.61Å; I130-M154 HydrophobicContact CG1-CE 4.28Å; I130-M154 HydrophobicContact CG2-CE 4.49Å; I130-M154 PolarHBondContact N-O 3.4Å; I130-M154 PolarHBondContact O-N 3.06Å; M154-L156 HydrophobicContact CE-CB 4.44Å; M154-L156 HydrophobicContact CE-CD1 4.24Å; M154-L249 HydrophobicContact CE-CD2 3.76Å; M154-A289 HydrophobicContact CE-CB 4.41Å; M154-A289 HydrophobicContact SD-CB 3.27Å; M154-A289 WeakPolarHBondContact SD-CB 3.38Å
155V88.3Confident72.2Confident3 Ų372.4 Ų72.42%0.01834%0.34CS..EExtended strand (participates in β ladder)trans-97.9104.7172.4-177.10000106.9L87 L88 L89 P90 I118 L124 I127 L129L87-V155 HydrophobicContact CB-CG2 4.43Å; L87-V155 HydrophobicContact CD2-CG2 4.36Å; L88-V155 PolarHBondContact O-N 2.91Å; L89-V155 HydrophobicContact CD2-CB 4.14Å; L89-V155 HydrophobicContact CD2-CG1 4.42Å; L89-V155 HydrophobicContact CD2-CG2 3.96Å; P90-V155 VanDerWaalsContact CD-O 3.27Å; P90-V155 WeakPolarHBondContact CD-O 3.43Å; P90-V155 WeakPolarHBondContact CG-O 3.46Å; I118-V155 HydrophobicContact CD1-CG2 4.3Å; I118-V155 HydrophobicContact CG2-CG1 4.08Å; I118-V155 HydrophobicContact CG2-CG2 4.08Å; L124-V155 HydrophobicContact CD1-CG1 3.84Å; I127-V155 HydrophobicContact CB-CG1 3.84Å; I127-V155 HydrophobicContact CD1-CG1 3.87Å; I127-V155 HydrophobicContact CG1-CG1 4.45Å; I127-V155 HydrophobicContact CG2-CG1 3.79Å; L129-V155 HydrophobicContact CD2-CG2 3.94Å
156L81.3Confident69.6Low8 Ų878.4 Ų78.44%0.04237%0.368CS..EExtended strand (participates in β ladder)trans-88.2119.7174.9-170.368.7000108.3I127 K128 I130 M154 D246 L287I127-L156 CarbonylContact C-O 3.47Å; I127-L156 WeakPolarHBondContact CA-O 3.45Å; K128-L156 HydrophobicContact CB-CB 4.4Å; K128-L156 PolarHBondContact N-O 3.08Å; K128-L156 PolarHBondContact O-N 3.09Å; I130-L156 HydrophobicContact CD1-CB 4.42Å; I130-L156 HydrophobicContact CD1-CD2 4.12Å; M154-L156 HydrophobicContact CE-CB 4.44Å; M154-L156 HydrophobicContact CE-CD1 4.24Å; L156-D246 HydrophobicContact CD1-CB 3.87Å; L156-D246 HydrophobicContact CD2-CB 4.31Å; L156-D246 HydrophobicContact CG-CB 4.16Å; L156-L287 HydrophobicContact CD1-CD1 3.8Å; L156-L287 HydrophobicContact CD1-CD2 4.21Å
157R75.8Confident66.9Low65 Ų6581 Ų8125%0.24538%0.379CS..EExtended strand (participates in β ladder)trans-72.9129.4166.5-179.7176.3-169.2-170.45.1107.6P90 D92 E160P90-R157 HydrophobicContact CB-CB 4.2Å; P90-R157 HydrophobicContact CG-CB 3.63Å; D92-R157 IonicContact OD2-NH1 3.89Å; R157-E160 IonicContact CZ-OE2 2.73Å; R157-E160 IonicContact NH2-OE1 3.46Å; R157-E160 IonicContact NH2-OE2 3.3Å; R157-E160 PolarHBondContact NH2-OE2 3.27Å
158V65.4Low64.4Low18 Ų1885.4 Ų85.411%0.10942%0.415CS..PPolyproline II helixtrans-88.7137.2166-172.10000106.8Y126 K128 Q177Y126-V158 WeakPolarHBondContact O-CB 3.3Å; Y126-V158 PolarHBondContact O-N 2.78Å; K128-V158 HydrophobicContact CD-CG2 4.42Å; K128-V158 HydrophobicContact CG-CG2 4.08Å; V158-Q177 HydrophobicContact CG1-CB 4.01Å; V158-Q177 HydrophobicContact CG1-CG 3.93Å
159S47.7Very low62Low66 Ų6685.2 Ų85.246%0.46242%0.416SS..  trans-39.6134.4-175.1-65.10000114.2D246S159-D246 PolarHBondContact N-OD2 3.36Å; S159-D246 PolarHBondContact OG-OD2 3.36Å; S159-D246 VanDerWaalsContact OG-OD2 3.08Å
160E46.5Very low59.4Low94 Ų9489.3 Ų89.344%0.43944%0.435SS..PPolyproline II helixtrans-76.9131.6179.3-157.3-179-171.800110.3R157 R163R157-E160 IonicContact CZ-OE2 2.73Å; R157-E160 IonicContact NH2-OE1 3.46Å; R157-E160 IonicContact NH2-OE2 3.3Å; R157-E160 PolarHBondContact NH2-OE2 3.27Å; E160-R163 IonicContact OE1-NH1 2.99Å
161P47.4Very low57Low68 Ų6895.2 Ų95.244%0.44246%0.461SS..PPolyproline II helixtrans-74.4128.3172.728.2-30.7000110.2Y126Y126-P161 HydrophobicContact CE2-CG 4.48Å
162E39.2Very low54.8Low197 Ų19799.5 Ų99.592%0.92148%0.479SS*.PPolyproline II helixtrans-59.5141.2177.5-67.3-174.4162.900111.8
163R35.1Very low52.6Low196 Ų196100.5 Ų100.574%0.7448%0.483SS*.SBendtrans-74.3140.4-162.5-99.2-177.5-179.291.7-4.3114.4E160E160-R163 IonicContact OE1-NH1 2.99Å
164K39.1Very low50.2Low191 Ų191107.9 Ų107.983%0.8352%0.516SS*.  trans9485.5152-68.4175.7179-177.80118.4
165K37.8Very low48.3Very low198 Ų198112.5 Ų112.586%0.86154%0.536SS*.  -176.171.9129.6-98.7171.8-178.1-177.10107.6
166Q38.2Very low46.6Very low156 Ų156115.8 Ų115.873%0.72956%0.555SS**  59.295.6109.8-80.2-177-9.800115.7A168 E170Q166-A168 PolarHBondContact O-N 2.87Å; Q166-E170 WeakPolarHBondContact CA-OE1 3.28Å
167M34Very low45Very low140 Ų140117 Ų11769%0.6956%0.561SS**SBend83.9-10.1127-67.1172.4172.600121E170M167-E170 WeakPolarHBondContact CA-OE2 3.25Å; M167-E170 VanDerWaalsContact CG-OE2 3.26Å; M167-E170 WeakPolarHBondContact CG-OE2 3.35Å; M167-E170 PolarHBondContact N-OE1 2.95Å
168A42.1Very low44.1Very low95 Ų95117.5 Ų117.579%0.78557%0.568SS**SBendtrans-106.5-34.7171.400000113.6Q166 E170Q166-A168 PolarHBondContact O-N 2.87Å; A168-E170 VanDerWaalsContact C-N 3.29Å
169E43.5Very low44.2Very low115 Ų115119 Ų11954%0.53758%0.575SS.*SBendtrans-870.9174.2-67.2174.6-174.600112.5E171 E172 K173E169-E171 VanDerWaalsContact C-N 3.29Å; E169-E171 PolarHBondContact O-N 3.41Å; E169-E172 WeakPolarHBondContact O-CA 3.47Å; E169-E172 WeakPolarHBondContact O-CB 2.92Å; E169-E172 PolarHBondContact O-N 3.39Å; E169-K173 IonicContact OE2-NZ 3Å
170E38.7Very low45.7Very low112 Ų112117 Ų11752%0.52356%0.56SS.*THydrogen-bonded Turntrans-70.6-20.7-170.8-84.9176.5-167.100114Q166 M167 A168Q166-E170 WeakPolarHBondContact CA-OE1 3.28Å; M167-E170 WeakPolarHBondContact CA-OE2 3.25Å; M167-E170 VanDerWaalsContact CG-OE2 3.26Å; M167-E170 WeakPolarHBondContact CG-OE2 3.35Å; M167-E170 PolarHBondContact N-OE1 2.95Å; A168-E170 VanDerWaalsContact C-N 3.29Å
171E39.3Very low47.5Very low158 Ų158113.1 Ų113.174%0.73854%0.543SS*.THydrogen-bonded Turntrans-79.7-19.5166.3-77.9-162.3144.700113.2E169 K175E169-E171 VanDerWaalsContact C-N 3.29Å; E169-E171 PolarHBondContact O-N 3.41Å; E171-K175 WeakPolarHBondContact O-CD 3.11Å
172E44.9Very low49.3Very low108 Ų108114.7 Ų114.751%0.50554%0.544SS..Hα-helixtrans-82-18.7-170.3-137.8-174.2-165.100113.8E169 K175 T176 Q179E169-E172 WeakPolarHBondContact O-CA 3.47Å; E169-E172 WeakPolarHBondContact O-CB 2.92Å; E169-E172 PolarHBondContact O-N 3.39Å; E172-K175 VanDerWaalsContact C-CB 3.44Å; E172-K175 WeakPolarHBondContact O-CB 3.43Å; E172-T176 PolarHBondContact O-N 3.33Å; E172-T176 VanDerWaalsContact O-N 3.14Å; E172-Q179 PolarHBondContact O-OE1 3.36Å
173K44.2Very low51.6Low113 Ų113109.6 Ų109.649%0.49152%0.517SS..Hα-helixtrans-104.8-19.8-176-65-178.9-174.7170.10115.6E169 K175 T176E169-K173 IonicContact OE2-NZ 3Å; K173-K175 PolarHBondContact O-N 3.23Å; K173-T176 VanDerWaalsContact C-N 3.35Å; K173-T176 VanDerWaalsContact C-OG1 3.25Å; K173-T176 WeakPolarHBondContact CA-OG1 3.3Å; K173-T176 HydrophobicContact CB-CG2 4.45Å; K173-T176 WeakPolarHBondContact CB-OG1 3.38Å; K173-T176 HydrophobicContact CG-CG2 4.05Å; K173-T176 PolarHBondContact O-N 3.16Å; K173-T176 PolarHBondContact O-OG1 3.37Å
174K40.4Very low54.2Low156 Ų156100.2 Ų100.268%0.67848%0.481SS*.Hα-helixtrans-60.8-35.8160.1-139.7-179.3-173-174.40110.4Y126Y126-K174 HydrophobicContact CE1-CG 4.38Å
175K45.3Very low56.7Low106 Ų10694.3 Ų94.346%0.46146%0.456SS..Hα-helixtrans-54.9-59.4160.3-99.9174.3-170.1172.80110.3E171 E172 K173 Q177 D178 Q179E171-K175 WeakPolarHBondContact O-CD 3.11Å; E172-K175 VanDerWaalsContact C-CB 3.44Å; E172-K175 WeakPolarHBondContact O-CB 3.43Å; K173-K175 PolarHBondContact O-N 3.23Å; K175-Q177 PolarHBondContact O-N 3.13Å; K175-D178 PolarHBondContact O-N 3.49Å; K175-Q179 VanDerWaalsContact C-CB 3.43Å; K175-Q179 HydrophobicContact CB-CG 3.75Å; K175-Q179 HydrophobicContact CG-CG 4.05Å; K175-Q179 VanDerWaalsContact O-CA 3.25Å; K175-Q179 WeakPolarHBondContact O-CA 3.45Å; K175-Q179 WeakPolarHBondContact O-CB 3.44Å; K175-Q179 WeakPolarHBondContact O-CG 3.04Å; K175-Q179 PolarHBondContact O-N 3.35Å
176T52.4Low59.2Low71 Ų7190.5 Ų90.544%0.43644%0.44SS..Hα-helixtrans-46.5-30.8-170.644.10000123.3E172 K173 S180E172-T176 PolarHBondContact O-N 3.33Å; E172-T176 VanDerWaalsContact O-N 3.14Å; K173-T176 VanDerWaalsContact C-N 3.35Å; K173-T176 VanDerWaalsContact C-OG1 3.25Å; K173-T176 WeakPolarHBondContact CA-OG1 3.3Å; K173-T176 HydrophobicContact CB-CG2 4.45Å; K173-T176 WeakPolarHBondContact CB-OG1 3.38Å; K173-T176 HydrophobicContact CG-CG2 4.05Å; K173-T176 PolarHBondContact O-N 3.16Å; K173-T176 PolarHBondContact O-OG1 3.37Å; T176-S180 VanDerWaalsContact O-CA 3.27Å; T176-S180 WeakPolarHBondContact O-CA 3.4Å; T176-S180 WeakPolarHBondContact O-CB 3.38Å; T176-S180 PolarHBondContact O-N 3.48Å
177Q48.6Very low61.6Low34 Ų3483 Ų8316%0.15941%0.405CS..Hα-helixtrans-92.6-44.5178.6-172.891.136.100112.4V158 K175 Q179 S180 V181V158-Q177 HydrophobicContact CG1-CB 4.01Å; V158-Q177 HydrophobicContact CG1-CG 3.93Å; K175-Q177 PolarHBondContact O-N 3.13Å; Q177-Q179 VanDerWaalsContact C-N 3.27Å; Q177-S180 VanDerWaalsContact C-N 3.33Å; Q177-S180 WeakPolarHBondContact O-CB 3.14Å; Q177-S180 PolarHBondContact O-N 3.41Å; Q177-V181 WeakPolarHBondContact O-CG2 3.44Å; Q177-V181 PolarHBondContact O-N 2.72Å
178D55.9Low64.4Low75 Ų7576.5 Ų76.540%0.40137%0.373SS..Hα-helixtrans-69-33.1168.9-72.7-21.1000110K128 K175 Q182K128-D178 VanDerWaalsContact CE-OD1 3.25Å; K128-D178 WeakPolarHBondContact CE-OD1 3.12Å; K128-D178 IonicContact NZ-OD1 3.8Å; K128-D178 PolarHBondContact NZ-OD1 3.27Å; K175-D178 PolarHBondContact O-N 3.49Å; D178-Q182 WeakPolarHBondContact O-CB 3.41Å; D178-Q182 WeakPolarHBondContact O-CG 3.47Å; D178-Q182 PolarHBondContact O-N 3.47Å
179Q67.7Low66.7Low51 Ų5175 Ų7524%0.23835%0.35CS..Hα-helixtrans-64.8-40.1160.3-73.3178.7-24.400111.5E172 K175 Q177 V181 Q182 R183E172-Q179 PolarHBondContact O-OE1 3.36Å; K175-Q179 VanDerWaalsContact C-CB 3.43Å; K175-Q179 HydrophobicContact CB-CG 3.75Å; K175-Q179 HydrophobicContact CG-CG 4.05Å; K175-Q179 VanDerWaalsContact O-CA 3.25Å; K175-Q179 WeakPolarHBondContact O-CA 3.45Å; K175-Q179 WeakPolarHBondContact O-CB 3.44Å; K175-Q179 WeakPolarHBondContact O-CG 3.04Å; K175-Q179 PolarHBondContact O-N 3.35Å; Q177-Q179 VanDerWaalsContact C-N 3.27Å; Q179-V181 VanDerWaalsContact C-N 3.27Å; Q179-V181 PolarHBondContact O-N 3.02Å; Q179-Q182 CarbonylContact O-C 3.35Å; Q179-Q182 PolarHBondContact O-N 3.32Å; Q179-R183 HydrophobicContact CB-CG 4.25Å; Q179-R183 VanDerWaalsContact O-CA 3.32Å; Q179-R183 WeakPolarHBondContact O-CA 3.08Å; Q179-R183 WeakPolarHBondContact O-CB 3.28Å; Q179-R183 WeakPolarHBondContact O-CG 3.43Å; Q179-R183 PolarHBondContact O-N 2.93Å
180S79.5Confident68.8Low22 Ų2270.9 Ų70.915%0.15433%0.331CS..Hα-helixtrans-59.2-46.1178.6173.60000109.5T176 Q177 R183 T184 H251T176-S180 VanDerWaalsContact O-CA 3.27Å; T176-S180 WeakPolarHBondContact O-CA 3.4Å; T176-S180 WeakPolarHBondContact O-CB 3.38Å; T176-S180 PolarHBondContact O-N 3.48Å; Q177-S180 VanDerWaalsContact C-N 3.33Å; Q177-S180 WeakPolarHBondContact O-CB 3.14Å; Q177-S180 PolarHBondContact O-N 3.41Å; S180-R183 PolarHBondContact O-N 3.02Å; S180-T184 VanDerWaalsContact O-CB 3.23Å; S180-T184 WeakPolarHBondContact O-CB 3.41Å; S180-T184 PolarHBondContact O-N 3.08Å; S180-T184 PolarHBondContact O-OG1 3.01Å; S180-H251 PolarHBondContact OG-CE1 2.96Å; S180-H251 PolarHBondContact OG-NE2 3.09Å; S180-H251 VanDerWaalsContact OG-NE2 3.15Å
181V84.4Confident71.2Confident13 Ų1365.6 Ų65.68%0.07931%0.306CS..Hα-helixtrans-63.4-47.5174.4172.10000110.7Q177 Q179 R183 T184 Q185 F232 Q254Q177-V181 WeakPolarHBondContact O-CG2 3.44Å; Q177-V181 PolarHBondContact O-N 2.72Å; Q179-V181 VanDerWaalsContact C-N 3.27Å; Q179-V181 PolarHBondContact O-N 3.02Å; V181-R183 PolarHBondContact O-N 3.48Å; V181-T184 PolarHBondContact O-N 3.46Å; V181-Q185 VanDerWaalsContact O-CB 3.3Å; V181-Q185 WeakPolarHBondContact O-CB 3.45Å; V181-Q185 PolarHBondContact O-N 2.83Å; V181-F232 HydrophobicContact CG1-CE1 3.86Å; V181-F232 HydrophobicContact CG1-CZ 4.12Å; V181-F232 WeakPolarHBondContact O-CE1 3.3Å; V181-Q254 HydrophobicContact CG1-CG 3.75Å
182Q85.6Confident73.4Confident101 Ų10158.4 Ų58.447%0.47227%0.273SS..Hα-helixtrans-68.3-29.8178.6-71.9164.91300113.5D178 Q179 Q185 K186D178-Q182 WeakPolarHBondContact O-CB 3.41Å; D178-Q182 WeakPolarHBondContact O-CG 3.47Å; D178-Q182 PolarHBondContact O-N 3.47Å; Q179-Q182 CarbonylContact O-C 3.35Å; Q179-Q182 PolarHBondContact O-N 3.32Å; Q182-Q185 WeakPolarHBondContact O-CB 3.48Å; Q182-Q185 PolarHBondContact O-N 3.39Å; Q182-K186 VanDerWaalsContact O-CB 3.28Å; Q182-K186 WeakPolarHBondContact O-CB 3.12Å; Q182-K186 WeakPolarHBondContact O-CG 3.26Å; Q182-K186 PolarHBondContact O-N 3.27Å
183R87Confident75.3Confident90 Ų9058.3 Ų58.334%0.3427%0.273SS..Hα-helixtrans-74.9-45.8177.8-75.7176.467.879.16.4108.5Q179 S180 V181 Q185 K186 G187 L561 E564Q179-R183 HydrophobicContact CB-CG 4.25Å; Q179-R183 VanDerWaalsContact O-CA 3.32Å; Q179-R183 WeakPolarHBondContact O-CA 3.08Å; Q179-R183 WeakPolarHBondContact O-CB 3.28Å; Q179-R183 WeakPolarHBondContact O-CG 3.43Å; Q179-R183 PolarHBondContact O-N 2.93Å; S180-R183 PolarHBondContact O-N 3.02Å; V181-R183 PolarHBondContact O-N 3.48Å; R183-Q185 VanDerWaalsContact C-N 3.29Å; R183-Q185 PolarHBondContact O-N 3.4Å; R183-K186 PolarHBondContact O-N 3.44Å; R183-G187 PolarHBondContact O-N 3.46Å; R183-L561 HydrophobicContact CB-CD2 3.58Å; R183-L561 HydrophobicContact CG-CD2 3.63Å; R183-L561 VanDerWaalsContact CZ-CD2 3.46Å; R183-E564 IonicContact CZ-OE2 2.6Å; R183-E564 IonicContact NE-OE2 3.95Å; R183-E564 PolarHBondContact NE-OE2 2.98Å; R183-E564 IonicContact NH2-OE2 3.49Å; R183-E564 PolarHBondContact NH2-OE2 3.02Å
184T88.9Confident77.2Confident0 Ų054.3 Ų54.30%026%0.255CS..Hα-helixtrans-55.9-48.1168.5-57.20000109.7S180 V181 K186 G187 F188 F232 K235 V565S180-T184 VanDerWaalsContact O-CB 3.23Å; S180-T184 WeakPolarHBondContact O-CB 3.41Å; S180-T184 PolarHBondContact O-N 3.08Å; S180-T184 PolarHBondContact O-OG1 3.01Å; V181-T184 PolarHBondContact O-N 3.46Å; T184-K186 PolarHBondContact O-N 3.05Å; T184-G187 PolarHBondContact O-N 3.08Å; T184-F188 HydrophobicContact CG2-CD2 3.66Å; T184-F188 HydrophobicContact CG2-CE2 3.74Å; T184-F188 VanDerWaalsContact O-CD2 3.27Å; T184-F188 WeakPolarHBondContact O-CD2 3.5Å; T184-F188 PolarHBondContact O-N 3Å; T184-F232 HydrophobicContact CG2-CD1 3.6Å; T184-F232 HydrophobicContact CG2-CE1 3.68Å; T184-F232 HydrophobicContact CG2-CG 4.42Å; T184-K235 HydrophobicContact CG2-CB 4.15Å; T184-K235 HydrophobicContact CG2-CG 4.24Å; T184-V565 HydrophobicContact CG2-CG1 4.48Å
185Q92.1Very high78.6Confident66 Ų6651.8 Ų51.831%0.30825%0.249SC..Hα-helixtrans-58-50.5176.7-165.3175.6-13.700111.9V181 Q182 R183 Q189 L228 F232V181-Q185 VanDerWaalsContact O-CB 3.3Å; V181-Q185 WeakPolarHBondContact O-CB 3.45Å; V181-Q185 PolarHBondContact O-N 2.83Å; Q182-Q185 WeakPolarHBondContact O-CB 3.48Å; Q182-Q185 PolarHBondContact O-N 3.39Å; R183-Q185 VanDerWaalsContact C-N 3.29Å; R183-Q185 PolarHBondContact O-N 3.4Å; Q185-Q189 WeakPolarHBondContact O-CA 3.38Å; Q185-Q189 WeakPolarHBondContact O-CB 3.23Å; Q185-Q189 PolarHBondContact O-N 3.21Å; Q185-L228 HydrophobicContact CG-CD2 4.3Å; Q185-F232 HydrophobicContact CB-CE2 4.41Å; Q185-F232 HydrophobicContact CB-CZ 3.73Å; Q185-F232 HydrophobicContact CG-CE2 4.41Å; Q185-F232 HydrophobicContact CG-CZ 4.16Å
186K89.6Confident79.8Confident118 Ų11848 Ų4851%0.51324%0.24SC..Hα-helixtrans-63.6-47-180-78.7-179.8178.7-1650111.4Q182 R183 T184 F188 Q189 I190 L561Q182-K186 VanDerWaalsContact O-CB 3.28Å; Q182-K186 WeakPolarHBondContact O-CB 3.12Å; Q182-K186 WeakPolarHBondContact O-CG 3.26Å; Q182-K186 PolarHBondContact O-N 3.27Å; R183-K186 PolarHBondContact O-N 3.44Å; T184-K186 PolarHBondContact O-N 3.05Å; K186-F188 PolarHBondContact O-N 3.32Å; K186-Q189 WeakPolarHBondContact O-CB 3.37Å; K186-Q189 PolarHBondContact O-N 2.94Å; K186-Q189 VanDerWaalsContact O-N 3.16Å; K186-I190 WeakPolarHBondContact O-CD1 3.26Å; K186-I190 VanDerWaalsContact O-CG1 3.22Å; K186-I190 WeakPolarHBondContact O-CG1 3.27Å; K186-I190 PolarHBondContact O-N 3.41Å; K186-L561 HydrophobicContact CB-CD1 4.07Å; K186-L561 HydrophobicContact CD-CD1 4.32Å
187G89.8Confident80.5Confident0 Ų045.9 Ų45.90%023%0.227CC..Hα-helixtrans-58.2-49178.100000112R183 T184 I190 L191R183-G187 PolarHBondContact O-N 3.46Å; T184-G187 PolarHBondContact O-N 3.08Å; G187-I190 PolarHBondContact O-N 3.39Å; G187-L191 WeakPolarHBondContact O-CG 3.46Å; G187-L191 PolarHBondContact O-N 2.81Å
188F91.7Very high81.5Confident3 Ų347.4 Ų47.41%0.01324%0.236CC..Hα-helixtrans-71.6-28.3176-76.9-65.7000113.4T184 K186 L191 S192 L206 I227 L228 G231 V565 I569T184-F188 HydrophobicContact CG2-CD2 3.66Å; T184-F188 HydrophobicContact CG2-CE2 3.74Å; T184-F188 VanDerWaalsContact O-CD2 3.27Å; T184-F188 WeakPolarHBondContact O-CD2 3.5Å; T184-F188 PolarHBondContact O-N 3Å; K186-F188 PolarHBondContact O-N 3.32Å; F188-L191 HydrophobicContact CD1-CD1 4.14Å; F188-L191 HydrophobicContact CE1-CD1 4.39Å; F188-L191 PolarHBondContact O-N 2.93Å; F188-S192 VanDerWaalsContact O-CB 3.29Å; F188-S192 WeakPolarHBondContact O-CB 3.41Å; F188-S192 PolarHBondContact O-N 3.38Å; F188-L206 HydrophobicContact CD1-CD1 3.84Å; F188-L206 HydrophobicContact CE1-CD1 4.03Å; F188-I227 HydrophobicContact CD1-CG2 4.36Å; F188-L228 HydrophobicContact CB-CD2 3.78Å; F188-G231 WeakPolarHBondContact CE2-O 3.43Å; F188-V565 HydrophobicContact CD2-CB 4.09Å; F188-V565 HydrophobicContact CD2-CG1 3.88Å; F188-V565 HydrophobicContact CE1-CB 4.27Å; F188-V565 HydrophobicContact CE1-CG2 4.44Å; F188-V565 HydrophobicContact CE2-CB 3.67Å; F188-V565 HydrophobicContact CE2-CG1 3.77Å; F188-V565 HydrophobicContact CZ-CB 3.76Å; F188-V565 HydrophobicContact CZ-CG1 4.38Å; F188-V565 HydrophobicContact CZ-CG2 4.41Å; F188-I569 HydrophobicContact CE1-CD1 3.89Å; F188-I569 HydrophobicContact CE1-CG1 4.22Å; F188-I569 HydrophobicContact CZ-CD1 4.34Å; F188-I569 HydrophobicContact CZ-CG1 4.18Å
189Q90.6Very high82.1Confident64 Ų6447.5 Ų47.530%0.29924%0.237SC..Hα-helixtrans-65.3-47.1172.5175.41670.300111.1Q185 K186 L191 S192 E193 L228Q185-Q189 WeakPolarHBondContact O-CA 3.38Å; Q185-Q189 WeakPolarHBondContact O-CB 3.23Å; Q185-Q189 PolarHBondContact O-N 3.21Å; K186-Q189 WeakPolarHBondContact O-CB 3.37Å; K186-Q189 PolarHBondContact O-N 2.94Å; K186-Q189 VanDerWaalsContact O-N 3.16Å; Q189-L191 VanDerWaalsContact C-N 3.34Å; Q189-L191 PolarHBondContact O-N 3.5Å; Q189-S192 PolarHBondContact O-N 2.86Å; Q189-S192 VanDerWaalsContact O-N 3.12Å; Q189-S192 PolarHBondContact O-OG 3.14Å; Q189-E193 VanDerWaalsContact CG-OE1 3.26Å; Q189-E193 WeakPolarHBondContact CG-OE1 3.39Å; Q189-E193 PolarHBondContact NE2-OE1 3.48Å; Q189-E193 WeakPolarHBondContact O-CG 3.45Å; Q189-E193 PolarHBondContact O-N 3.32Å; Q189-E193 VanDerWaalsContact O-N 3.12Å; Q189-L228 HydrophobicContact CB-CD2 4.44Å
190I89Confident81.8Confident28 Ų2847 Ų4714%0.14424%0.238CC..Hα-helixtrans-57.2-49.8174.5-66.2158.7000109.4K186 G187 S192 E193 R194 D558 L561 V562K186-I190 WeakPolarHBondContact O-CD1 3.26Å; K186-I190 VanDerWaalsContact O-CG1 3.22Å; K186-I190 WeakPolarHBondContact O-CG1 3.27Å; K186-I190 PolarHBondContact O-N 3.41Å; G187-I190 PolarHBondContact O-N 3.39Å; I190-S192 VanDerWaalsContact C-N 3.25Å; I190-S192 PolarHBondContact O-N 3.02Å; I190-E193 PolarHBondContact O-N 2.86Å; I190-E193 VanDerWaalsContact O-N 3.15Å; I190-R194 WeakPolarHBondContact O-CG 3.42Å; I190-R194 PolarHBondContact O-N 3.43Å; I190-D558 HydrophobicContact CD1-CB 3.85Å; I190-L561 HydrophobicContact CD1-CD1 4.43Å; I190-V562 HydrophobicContact CB-CG2 4.06Å; I190-V562 HydrophobicContact CD1-CG2 4.43Å; I190-V562 HydrophobicContact CG2-CG2 3.65Å
191L87.8Confident81.2Confident1 Ų150.3 Ų50.31%0.00527%0.266CS..Hα-helixtrans-60.4-32.2177.2-73.9174.6000113.6G187 F188 Q189 P204 L206 V562 V565 L566G187-L191 WeakPolarHBondContact O-CG 3.46Å; G187-L191 PolarHBondContact O-N 2.81Å; F188-L191 HydrophobicContact CD1-CD1 4.14Å; F188-L191 HydrophobicContact CE1-CD1 4.39Å; F188-L191 PolarHBondContact O-N 2.93Å; Q189-L191 VanDerWaalsContact C-N 3.34Å; Q189-L191 PolarHBondContact O-N 3.5Å; L191-P204 WeakPolarHBondContact CD2-O 3.48Å; L191-L206 HydrophobicContact CB-CD1 3.88Å; L191-L206 HydrophobicContact CB-CG 4.08Å; L191-L206 HydrophobicContact CD1-CD1 3.82Å; L191-L206 HydrophobicContact CD1-CG 4.15Å; L191-L206 HydrophobicContact CG-CD1 4.44Å; L191-V562 HydrophobicContact CD1-CG1 4.44Å; L191-V562 HydrophobicContact CD2-CG1 3.74Å; L191-V562 HydrophobicContact CD2-CG2 4.46Å; L191-V562 HydrophobicContact CG-CG1 4.15Å; L191-V562 HydrophobicContact CG-CG2 4.31Å; L191-V565 HydrophobicContact CD1-CG2 3.63Å; L191-L566 HydrophobicContact CD1-CD2 4.16Å
192S86.9Confident80.5Confident6 Ų654.1 Ų54.14%0.04229%0.29CS..Hα-helixtrans-75.1-24.2178.7770000113.9F188 Q189 I190F188-S192 VanDerWaalsContact O-CB 3.29Å; F188-S192 WeakPolarHBondContact O-CB 3.41Å; F188-S192 PolarHBondContact O-N 3.38Å; Q189-S192 PolarHBondContact O-N 2.86Å; Q189-S192 VanDerWaalsContact O-N 3.12Å; Q189-S192 PolarHBondContact O-OG 3.14Å; I190-S192 VanDerWaalsContact C-N 3.25Å; I190-S192 PolarHBondContact O-N 3.02Å
193E84.3Confident80.1Confident107 Ų10750.3 Ų50.350%0.527%0.273SS..Hα-helixtrans-89.4-19.5-179-71.4169.7-169.400111.8Q189 I190 D195 K224Q189-E193 VanDerWaalsContact CG-OE1 3.26Å; Q189-E193 WeakPolarHBondContact CG-OE1 3.39Å; Q189-E193 PolarHBondContact NE2-OE1 3.48Å; Q189-E193 WeakPolarHBondContact O-CG 3.45Å; Q189-E193 PolarHBondContact O-N 3.32Å; Q189-E193 VanDerWaalsContact O-N 3.12Å; I190-E193 PolarHBondContact O-N 2.86Å; I190-E193 VanDerWaalsContact O-N 3.15Å; E193-D195 PolarHBondContact O-N 2.88Å; E193-K224 IonicContact OE1-NZ 2.68Å; E193-K224 PolarHBondContact OE1-NZ 2.68Å
194R83.8Confident79.8Confident28 Ų2847.6 Ų47.611%0.10627%0.267CS..  trans-68.2125172.3-70.2174.8177.8177.8-2.3110.8I190 T203 P204 F205 E554I190-R194 WeakPolarHBondContact O-CG 3.42Å; I190-R194 PolarHBondContact O-N 3.43Å; R194-T203 HydrophobicContact CG-CG2 4.45Å; R194-P204 WeakPolarHBondContact CD-O 3.46Å; R194-P204 PolarHBondContact NH1-O 3.34Å; R194-F205 HydrophobicContact CB-CB 3.75Å; R194-E554 IonicContact CZ-OE1 3.78Å; R194-E554 IonicContact NE-OE1 3.3Å; R194-E554 IonicContact NH2-OE1 3.62Å; R194-E554 PolarHBondContact NH2-OE1 2.96Å; R194-E554 IonicContact NH2-OE2 2.82Å; R194-E554 PolarHBondContact NH2-OE2 3.27Å
195D69.8Low79.6Confident103 Ų10349 Ų4955%0.55127%0.273SS*.  trans-93.51.1-176.663.70.7000113.7E193 T197E193-D195 PolarHBondContact O-N 2.88Å; D195-T197 VanDerWaalsContact C-N 3.34Å; D195-T197 HydrophobicContact CB-CG2 4.4Å; D195-T197 VanDerWaalsContact OD1-CB 3.3Å; D195-T197 WeakPolarHBondContact OD1-CB 3.3Å; D195-T197 WeakPolarHBondContact OD1-CG2 3.29Å; D195-T197 PolarHBondContact OD1-N 3.31Å; D195-T197 VanDerWaalsContact OD1-N 3.14Å; D195-T197 PolarHBondContact OD1-OG1 3.4Å; D195-T197 WeakPolarHBondContact OD2-CG2 3.33Å
196G71.4Confident79.3Confident27 Ų2747.8 Ų47.828%0.27827%0.269SS..SBendtrans75.319.9179.600000114.1
197T66.5Low79Confident26 Ų2645.7 Ų45.716%0.1626%0.261CS..  trans-87.2-11.5179.161.50000114.5D195 L429 A443D195-T197 VanDerWaalsContact C-N 3.34Å; D195-T197 HydrophobicContact CB-CG2 4.4Å; D195-T197 VanDerWaalsContact OD1-CB 3.3Å; D195-T197 WeakPolarHBondContact OD1-CB 3.3Å; D195-T197 WeakPolarHBondContact OD1-CG2 3.29Å; D195-T197 PolarHBondContact OD1-N 3.31Å; D195-T197 VanDerWaalsContact OD1-N 3.14Å; D195-T197 PolarHBondContact OD1-OG1 3.4Å; D195-T197 WeakPolarHBondContact OD2-CG2 3.33Å; T197-L429 HydrophobicContact CG2-CD1 4.5Å; T197-A443 HydrophobicContact CG2-CB 3.48Å; T197-A443 VanDerWaalsContact CG2-CB 3.48Å
198D69.9Low78.8Confident66 Ų6646.7 Ų46.735%0.35327%0.266SS..SBendtrans-100.1166.3178.3-71.4-47.8000111.8P200 T203 K439D198-P200 VanDerWaalsContact O-CD 3.26Å; D198-P200 WeakPolarHBondContact O-CD 3.31Å; D198-T203 HydrophobicContact CB-CG2 3.98Å; D198-K439 IonicContact OD1-NZ 2.77Å; D198-K439 PolarHBondContact OD1-NZ 3.4Å; D198-K439 IonicContact OD2-NZ 3.54Å; D198-K439 PolarHBondContact OD2-NZ 2.94Å
199D66.8Low78.5Confident78 Ų7848.7 Ų48.742%0.41728%0.283SS..  trans-61.9117.6-179-179.6-0.4000110.4A201 T202 T203D199-A201 PolarHBondContact O-N 3.42Å; D199-A201 VanDerWaalsContact O-N 3.15Å; D199-A201 WeakPolarHBondContact OD1-CB 3.38Å; D199-A201 PolarHBondContact OD1-N 2.95Å; D199-T202 PolarHBondContact O-N 3.09Å; D199-T202 PolarHBondContact O-OG1 3.35Å; D199-T202 VanDerWaalsContact O-OG1 3.11Å; D199-T203 WeakPolarHBondContact O-CA 3.43Å; D199-T203 PolarHBondContact O-N 2.88Å
200P62.6Low78Confident41 Ų4147.9 Ų47.927%0.26628%0.281SS..THydrogen-bonded Turntrans-62.2-22.9-179-21.732.8000114.2D198 T202D198-P200 VanDerWaalsContact O-CD 3.26Å; D198-P200 WeakPolarHBondContact O-CD 3.31Å; P200-T202 PolarHBondContact O-N 2.87Å
201A66.8Low77.3Confident90 Ų9052 Ų5274%0.74430%0.299SS*.THydrogen-bonded Turntrans-68.5-2817700000112D199D199-A201 PolarHBondContact O-N 3.42Å; D199-A201 VanDerWaalsContact O-N 3.15Å; D199-A201 WeakPolarHBondContact OD1-CB 3.38Å; D199-A201 PolarHBondContact OD1-N 2.95Å
202T70.1Confident76.6Confident94 Ų9458.7 Ų58.758%0.57733%0.329SS*.THydrogen-bonded Turntrans-107.4-26.2178.759.10000112.6D199 P200D199-T202 PolarHBondContact O-N 3.09Å; D199-T202 PolarHBondContact O-OG1 3.35Å; D199-T202 VanDerWaalsContact O-OG1 3.11Å; P200-T202 PolarHBondContact O-N 2.87Å
203T77.2Confident76.1Confident20 Ų2060.5 Ų60.512%0.12335%0.348CS..SBendtrans-13878.1-169.7-50.50000110.1R194 D198 D199R194-T203 HydrophobicContact CG-CG2 4.45Å; D198-T203 HydrophobicContact CB-CG2 3.98Å; D199-T203 WeakPolarHBondContact O-CA 3.43Å; D199-T203 PolarHBondContact O-N 2.88Å
204P81.1Confident75.9Confident33 Ų3359 Ų5921%0.21434%0.343CS..  trans-65.4146.6-179.124.4-32.9000111.7L191 R194 V562 L566L191-P204 WeakPolarHBondContact CD2-O 3.48Å; R194-P204 WeakPolarHBondContact CD-O 3.46Å; R194-P204 PolarHBondContact NH1-O 3.34Å; P204-V562 HydrophobicContact CG-CG1 3.83Å; P204-L566 HydrophobicContact CB-CD1 3.99Å; P204-L566 HydrophobicContact CG-CD1 3.57Å
205F83.6Confident75.7Confident29 Ų2960.5 Ų60.513%0.12736%0.357CS..  trans-135.5165.1177.277.3-80000110.8R194 E207R194-F205 HydrophobicContact CB-CB 3.75Å; F205-E207 HydrophobicContact CE2-CB 4.03Å
206L85.6Confident76.3Confident42 Ų4259.2 Ų59.222%0.2235%0.349CS..  trans-112.3132.5178.2-65.3176.3000111.7F188 L191 I227 I569F188-L206 HydrophobicContact CD1-CD1 3.84Å; F188-L206 HydrophobicContact CE1-CD1 4.03Å; L191-L206 HydrophobicContact CB-CD1 3.88Å; L191-L206 HydrophobicContact CB-CG 4.08Å; L191-L206 HydrophobicContact CD1-CD1 3.82Å; L191-L206 HydrophobicContact CD1-CG 4.15Å; L191-L206 HydrophobicContact CG-CD1 4.44Å; L206-I227 HydrophobicContact CB-CD1 4.31Å; L206-I227 HydrophobicContact CD1-CG2 3.7Å; L206-I569 HydrophobicContact CD1-CD1 4.49Å; L206-I569 HydrophobicContact CD2-CD1 3.99Å
207E84.3Confident76.8Confident74 Ų7468.3 Ų68.335%0.34638%0.381SS..  trans-119.3136.4173.4-169.4160.4-137.300110F205 P215F205-E207 HydrophobicContact CE2-CB 4.03Å; E207-P215 HydrophobicContact CG-CB 4.22Å; E207-P215 HydrophobicContact CG-CG 4.37Å; E207-P215 WeakPolarHBondContact OE1-CB 3.48Å; E207-P215 WeakPolarHBondContact OE1-CG 3.17Å
208I85.9Confident77.5Confident21 Ų2168.6 Ų68.611%0.10838%0.381CS..  trans-93.6120.1177-50.5-174.4000107.3L216 I218 K223 L226 I227I208-L216 HydrophobicContact CG2-CD1 4.22Å; I208-L216 PolarHBondContact O-N 2.9Å; I208-I218 HydrophobicContact CB-CD1 4.47Å; I208-I218 HydrophobicContact CD1-CD1 4.33Å; I208-I218 HydrophobicContact CG2-CD1 4.09Å; I208-K223 HydrophobicContact CD1-CB 4.47Å; I208-K223 HydrophobicContact CD1-CG 3.75Å; I208-K223 HydrophobicContact CG1-CG 4.23Å; I208-L226 HydrophobicContact CD1-CB 3.86Å; I208-L226 HydrophobicContact CD1-CD2 3.56Å; I208-L226 HydrophobicContact CD1-CG 3.8Å; I208-L226 HydrophobicContact CG2-CD2 4.02Å; I208-I227 HydrophobicContact CD1-CG1 4Å; I208-I227 HydrophobicContact CG1-CG1 4.11Å
209A84.3Confident78.2Confident44 Ų4469.4 Ų69.436%0.36439%0.391SS..BIsolated β-bridgetrans-124.8162.3-178.300000111.9N214A209-N214 CarbonylContact C-O 3.55Å; A209-N214 WeakPolarHBondContact CA-O 3.34Å; A209-N214 WeakPolarHBondContact CB-O 3.41Å
210D80.1Confident78.9Confident47 Ų4771.9 Ų71.925%0.25140%0.399SS..  trans-73.8178.7167.2748.9000111.7K212 G213 N214 L216D210-K212 PolarHBondContact O-N 2.75Å; D210-K212 WeakPolarHBondContact OD1-CA 3.24Å; D210-K212 WeakPolarHBondContact OD1-CB 3.47Å; D210-K212 PolarHBondContact OD1-N 2.68Å; D210-G213 PolarHBondContact O-N 2.67Å; D210-G213 PolarHBondContact OD1-N 3.43Å; D210-G213 VanDerWaalsContact OD1-N 3.14Å; D210-N214 PolarHBondContact N-O 3.33Å; D210-N214 WeakPolarHBondContact OD1-CB 3.31Å; D210-N214 PolarHBondContact OD1-N 2.87Å; D210-N214 PolarHBondContact OD1-ND2 3.06Å; D210-N214 WeakPolarHBondContact OD2-CB 3.32Å; D210-N214 PolarHBondContact OD2-ND2 3.32Å; D210-L216 HydrophobicContact CB-CD2 4.13Å
211Q73.8Confident79.9Confident115 Ų11580.6 Ų80.654%0.53743%0.427SS..THydrogen-bonded Turntrans-65.2-2.7179.472.8-794.900115.2I321Q211-I321 HydrophobicContact CG-CG2 4.07Å
212K73.4Confident80.9Confident142 Ų14278.3 Ų78.362%0.61740%0.401SS*.THydrogen-bonded Turntrans-111.47.3175-62.8-173.6177.9-174.40111.8D210 N214D210-K212 PolarHBondContact O-N 2.75Å; D210-K212 WeakPolarHBondContact OD1-CA 3.24Å; D210-K212 WeakPolarHBondContact OD1-CB 3.47Å; D210-K212 PolarHBondContact OD1-N 2.68Å; K212-N214 VanDerWaalsContact C-N 3.34Å
213G76.3Confident81.6Confident43 Ų4376.5 Ų76.544%0.44339%0.385SS..SBendtrans77.914.5-178.400000114.2D210D210-G213 PolarHBondContact O-N 2.67Å; D210-G213 PolarHBondContact OD1-N 3.43Å; D210-G213 VanDerWaalsContact OD1-N 3.14Å
214N80.6Confident82.2Confident76 Ų7678.1 Ų78.141%0.40639%0.39SS..PPolyproline II helixtrans-83.6128.3175.9-54.3-61.2000110.7A209 D210 K212 L216A209-N214 CarbonylContact C-O 3.55Å; A209-N214 WeakPolarHBondContact CA-O 3.34Å; A209-N214 WeakPolarHBondContact CB-O 3.41Å; D210-N214 PolarHBondContact N-O 3.33Å; D210-N214 WeakPolarHBondContact OD1-CB 3.31Å; D210-N214 PolarHBondContact OD1-N 2.87Å; D210-N214 PolarHBondContact OD1-ND2 3.06Å; D210-N214 WeakPolarHBondContact OD2-CB 3.32Å; D210-N214 PolarHBondContact OD2-ND2 3.32Å; K212-N214 VanDerWaalsContact C-N 3.34Å; N214-L216 PolarHBondContact O-N 3.12Å
215P80.9Confident82.6Confident60 Ų6077 Ų7739%0.3938%0.383SS..BIsolated β-bridgetrans-59.2133.7178.4-25.835000113E207E207-P215 HydrophobicContact CG-CB 4.22Å; E207-P215 HydrophobicContact CG-CG 4.37Å; E207-P215 WeakPolarHBondContact OE1-CB 3.48Å; E207-P215 WeakPolarHBondContact OE1-CG 3.17Å
216L82.4Confident83Confident76 Ų7676.1 Ų76.140%0.39838%0.38SS..PPolyproline II helixtrans-87.7132.7176.6-66.5179.1000111.2I208 D210 N214 I218I208-L216 HydrophobicContact CG2-CD1 4.22Å; I208-L216 PolarHBondContact O-N 2.9Å; D210-L216 HydrophobicContact CB-CD2 4.13Å; N214-L216 PolarHBondContact O-N 3.12Å; L216-I218 HydrophobicContact CB-CD1 3.83Å; L216-I218 HydrophobicContact CB-CG1 3.92Å; L216-I218 HydrophobicContact CD1-CD1 4.28Å; L216-I218 PolarHBondContact O-N 2.95Å; L216-I218 VanDerWaalsContact O-N 3.15Å
217K80.5Confident83.2Confident217 Ų21774.5 Ų74.594%0.94337%0.372SS*.  trans-80.894173.7-66.2-174.1-179.1-177.70109.9
218I81.2Confident83.6Confident32 Ų3271.4 Ų71.416%0.16436%0.358CS..  trans-119139.5-178.9-56.4172.3000108.8I208 L216 E222 K223 L226I208-I218 HydrophobicContact CB-CD1 4.47Å; I208-I218 HydrophobicContact CD1-CD1 4.33Å; I208-I218 HydrophobicContact CG2-CD1 4.09Å; L216-I218 HydrophobicContact CB-CD1 3.83Å; L216-I218 HydrophobicContact CB-CG1 3.92Å; L216-I218 HydrophobicContact CD1-CD1 4.28Å; L216-I218 PolarHBondContact O-N 2.95Å; L216-I218 VanDerWaalsContact O-N 3.15Å; I218-E222 HydrophobicContact CG2-CB 3.77Å; I218-E222 HydrophobicContact CG2-CG 3.72Å; I218-K223 HydrophobicContact CB-CB 4.48Å; I218-K223 HydrophobicContact CG2-CB 4.38Å; I218-L226 HydrophobicContact CD1-CD2 4.18Å
219P84.5Confident84Confident84 Ų8470.4 Ų70.455%0.54535%0.353SS..  trans-52.7140.9173.5-25.834.6000112R221 E222 K223P219-R221 VanDerWaalsContact C-N 3.31Å; P219-R221 PolarHBondContact O-N 3.26Å; P219-E222 HydrophobicContact CB-CB 4.43Å; P219-E222 PolarHBondContact O-N 3.39Å; P219-K223 PolarHBondContact O-N 3.4Å
220H81.6Confident84.4Confident129 Ų12971.3 Ų71.360%0.59735%0.35SS*.Hα-helixtrans-55.4-41.7-171.7-175.656.3000113.8E222 K223 K224H220-E222 VanDerWaalsContact C-N 3.35Å; H220-E222 PolarHBondContact O-N 3.05Å; H220-K223 PolarHBondContact O-N 2.91Å; H220-K224 PolarHBondContact O-N 2.86Å
221R84.3Confident85Confident224 Ų22469.2 Ų69.285%0.84534%0.339SS*.Hα-helixtrans-60.3-43.3176.3-177.5-179.8175.7-175.4-0.6112.3P219 A225P219-R221 VanDerWaalsContact C-N 3.31Å; P219-R221 PolarHBondContact O-N 3.26Å; R221-A225 PolarHBondContact O-N 3.18Å; R221-A225 VanDerWaalsContact O-N 3.14Å
222E86.6Confident86Confident43 Ų4363.8 Ų63.820%0.20131%0.314CS..Hα-helixtrans-74-36.2180-175.8170.9-15500111.4I218 P219 H220 K224 A225 L226 C262 G263 L266I218-E222 HydrophobicContact CG2-CB 3.77Å; I218-E222 HydrophobicContact CG2-CG 3.72Å; P219-E222 HydrophobicContact CB-CB 4.43Å; P219-E222 PolarHBondContact O-N 3.39Å; H220-E222 VanDerWaalsContact C-N 3.35Å; H220-E222 PolarHBondContact O-N 3.05Å; E222-K224 PolarHBondContact O-N 2.72Å; E222-A225 PolarHBondContact O-N 3.36Å; E222-L226 WeakPolarHBondContact O-CB 3.32Å; E222-L226 PolarHBondContact O-N 2.94Å; E222-C262 HydrophobicContact CG-CB 4.45Å; E222-G263 WeakPolarHBondContact OE1-CA 3.48Å; E222-G263 PolarHBondContact OE1-N 3.49Å; E222-L266 HydrophobicContact CG-CD2 4.23Å
223K86.5Confident87.1Confident55 Ų5557.1 Ų57.124%0.23929%0.285CS..Hα-helixtrans-57.9-46.8171.1-173.7-175.6176.3-175.40111I208 I218 P219 H220 L226 I227I208-K223 HydrophobicContact CD1-CB 4.47Å; I208-K223 HydrophobicContact CD1-CG 3.75Å; I208-K223 HydrophobicContact CG1-CG 4.23Å; I218-K223 HydrophobicContact CB-CB 4.48Å; I218-K223 HydrophobicContact CG2-CB 4.38Å; P219-K223 PolarHBondContact O-N 3.4Å; H220-K223 PolarHBondContact O-N 2.91Å; K223-L226 PolarHBondContact O-N 3.27Å; K223-I227 HydrophobicContact CG-CD1 4.07Å; K223-I227 WeakPolarHBondContact O-CG1 3.42Å; K223-I227 PolarHBondContact O-N 3.41Å
224K88.3Confident88Confident54 Ų5456.3 Ų56.324%0.23527%0.27CS..Hα-helixtrans-61.4-47.3177.8178.2164.2-179.41720111.9E193 H220 E222 L226 I227 L228E193-K224 IonicContact OE1-NZ 2.68Å; E193-K224 PolarHBondContact OE1-NZ 2.68Å; H220-K224 PolarHBondContact O-N 2.86Å; E222-K224 PolarHBondContact O-N 2.72Å; K224-L226 VanDerWaalsContact C-N 3.33Å; K224-L226 PolarHBondContact O-N 2.57Å; K224-I227 PolarHBondContact O-N 2.74Å; K224-L228 HydrophobicContact CG-CD1 4.27Å; K224-L228 WeakPolarHBondContact O-CG 3.4Å; K224-L228 PolarHBondContact O-N 3.47Å; K224-L228 VanDerWaalsContact O-N 3.09Å
225A90.4Very high88.6Confident9 Ų953.4 Ų53.47%0.07425%0.254CS..Hα-helixtrans-58.9-43.7175.800000112.3R221 E222 L228 A229 T261R221-A225 PolarHBondContact O-N 3.18Å; R221-A225 VanDerWaalsContact O-N 3.14Å; E222-A225 PolarHBondContact O-N 3.36Å; A225-L228 PolarHBondContact O-N 3.39Å; A225-A229 VanDerWaalsContact O-CB 3.31Å; A225-A229 WeakPolarHBondContact O-CB 3.5Å; A225-A229 PolarHBondContact O-N 3.06Å; A225-T261 WeakPolarHBondContact CB-OG1 3.46Å
226L91.3Very high89.2Confident11 Ų1150.6 Ų50.66%0.05824%0.235CC..Hα-helixtrans-67.3-40.7-179.5-175.358.2000112.3I208 I218 E222 K223 K224 L228 A229 M230 F259 L266I208-L226 HydrophobicContact CD1-CB 3.86Å; I208-L226 HydrophobicContact CD1-CD2 3.56Å; I208-L226 HydrophobicContact CD1-CG 3.8Å; I208-L226 HydrophobicContact CG2-CD2 4.02Å; I218-L226 HydrophobicContact CD1-CD2 4.18Å; E222-L226 WeakPolarHBondContact O-CB 3.32Å; E222-L226 PolarHBondContact O-N 2.94Å; K223-L226 PolarHBondContact O-N 3.27Å; K224-L226 VanDerWaalsContact C-N 3.33Å; K224-L226 PolarHBondContact O-N 2.57Å; L226-L228 PolarHBondContact O-N 3.46Å; L226-A229 PolarHBondContact O-N 3.37Å; L226-M230 HydrophobicContact CD1-CG 4.09Å; L226-M230 HydrophobicContact CD1-SD 4.15Å; L226-M230 HydrophobicContact CG-CG 4.44Å; L226-M230 HydrophobicContact CG-SD 4.05Å; L226-M230 WeakPolarHBondContact O-CB 3.26Å; L226-M230 WeakPolarHBondContact O-CG 3.35Å; L226-M230 PolarHBondContact O-N 3.32Å; L226-F259 HydrophobicContact CD1-CD1 4.18Å; L226-F259 HydrophobicContact CD1-CE1 3.53Å; L226-F259 HydrophobicContact CD1-CZ 4.34Å; L226-L266 HydrophobicContact CD2-CD2 3.81Å
227I91.1Very high89.8Confident8 Ų848 Ų484%0.04122%0.22CC..Hα-helixtrans-59.7-46.9174.2-72.2168.5000110.6F188 L206 I208 K223 K224 G231F188-I227 HydrophobicContact CD1-CG2 4.36Å; L206-I227 HydrophobicContact CB-CD1 4.31Å; L206-I227 HydrophobicContact CD1-CG2 3.7Å; I208-I227 HydrophobicContact CD1-CG1 4Å; I208-I227 HydrophobicContact CG1-CG1 4.11Å; K223-I227 HydrophobicContact CG-CD1 4.07Å; K223-I227 WeakPolarHBondContact O-CG1 3.42Å; K223-I227 PolarHBondContact O-N 3.41Å; K224-I227 PolarHBondContact O-N 2.74Å; I227-G231 PolarHBondContact O-N 2.85Å
228L92.8Very high90.3Very high10 Ų1038.4 Ų38.45%0.05218%0.181CC..Hα-helixtrans-62-45.6176.9-71.6168.8000111.4Q185 F188 Q189 K224 A225 L226 G231 F232 Q258Q185-L228 HydrophobicContact CG-CD2 4.3Å; F188-L228 HydrophobicContact CB-CD2 3.78Å; Q189-L228 HydrophobicContact CB-CD2 4.44Å; K224-L228 HydrophobicContact CG-CD1 4.27Å; K224-L228 WeakPolarHBondContact O-CG 3.4Å; K224-L228 PolarHBondContact O-N 3.47Å; K224-L228 VanDerWaalsContact O-N 3.09Å; A225-L228 PolarHBondContact O-N 3.39Å; L226-L228 PolarHBondContact O-N 3.46Å; L228-G231 PolarHBondContact O-N 3.47Å; L228-F232 WeakPolarHBondContact O-CB 3.49Å; L228-F232 WeakPolarHBondContact O-CD2 3.45Å; L228-F232 PolarHBondContact O-N 2.94Å; L228-Q258 HydrophobicContact CB-CG 4.09Å
229A93.9Very high90.8Very high0 Ų037.4 Ų37.40%018%0.176CC..Hα-helixtrans-60.4-49.1-179.700000112A225 L226 H233 A255 Q258 F259A225-A229 VanDerWaalsContact O-CB 3.31Å; A225-A229 WeakPolarHBondContact O-CB 3.5Å; A225-A229 PolarHBondContact O-N 3.06Å; L226-A229 PolarHBondContact O-N 3.37Å; A229-H233 WeakPolarHBondContact O-CB 3.08Å; A229-H233 PolarHBondContact O-N 3.28Å; A229-A255 WeakPolarHBondContact O-CB 3.26Å; A229-Q258 HydrophobicContact CB-CB 3.64Å; A229-F259 HydrophobicContact CB-CB 4.45Å; A229-F259 HydrophobicContact CB-CD1 3.95Å; A229-F259 HydrophobicContact CB-CD2 3.62Å; A229-F259 HydrophobicContact CB-CE1 4.06Å; A229-F259 HydrophobicContact CB-CE2 3.72Å; A229-F259 HydrophobicContact CB-CG 3.73Å; A229-F259 HydrophobicContact CB-CZ 3.94Å
230M92.1Very high91.2Very high63 Ų6334 Ų3431%0.3115%0.153SC..Hα-helixtrans-64.1-43.7176.6-69.3179.168.400111.3L226 F232 H233 E234 F259L226-M230 HydrophobicContact CD1-CG 4.09Å; L226-M230 HydrophobicContact CD1-SD 4.15Å; L226-M230 HydrophobicContact CG-CG 4.44Å; L226-M230 HydrophobicContact CG-SD 4.05Å; L226-M230 WeakPolarHBondContact O-CB 3.26Å; L226-M230 WeakPolarHBondContact O-CG 3.35Å; L226-M230 PolarHBondContact O-N 3.32Å; M230-F232 PolarHBondContact O-N 2.81Å; M230-H233 WeakPolarHBondContact O-CB 3.27Å; M230-H233 PolarHBondContact O-N 3.26Å; M230-H233 VanDerWaalsContact O-N 3.12Å; M230-E234 WeakPolarHBondContact O-CG 3.49Å; M230-E234 PolarHBondContact O-N 3.02Å; M230-F259 HydrophobicContact CG-CZ 4.28Å
231G93.1Very high91.6Very high3 Ų333.8 Ų33.83%0.03115%0.15CC..Hα-helixtrans-60.7-45.1179.100000113.4F188 I227 L228 H233 E234 K235F188-G231 WeakPolarHBondContact CE2-O 3.43Å; I227-G231 PolarHBondContact O-N 2.85Å; L228-G231 PolarHBondContact O-N 3.47Å; G231-H233 VanDerWaalsContact C-N 3.32Å; G231-H233 PolarHBondContact O-N 2.94Å; G231-E234 PolarHBondContact O-N 2.71Å; G231-K235 PolarHBondContact O-N 2.99Å
232F95.3Very high91.8Very high0 Ų030.1 Ų30.10%014%0.137CC..Hα-helixtrans-63.5-37.7172.8-81.2-59.2000112.7V181 T184 Q185 L228 M230 K235 G236 H251 Q254 A255 Q258V181-F232 HydrophobicContact CG1-CE1 3.86Å; V181-F232 HydrophobicContact CG1-CZ 4.12Å; V181-F232 WeakPolarHBondContact O-CE1 3.3Å; T184-F232 HydrophobicContact CG2-CD1 3.6Å; T184-F232 HydrophobicContact CG2-CE1 3.68Å; T184-F232 HydrophobicContact CG2-CG 4.42Å; Q185-F232 HydrophobicContact CB-CE2 4.41Å; Q185-F232 HydrophobicContact CB-CZ 3.73Å; Q185-F232 HydrophobicContact CG-CE2 4.41Å; Q185-F232 HydrophobicContact CG-CZ 4.16Å; L228-F232 WeakPolarHBondContact O-CB 3.49Å; L228-F232 WeakPolarHBondContact O-CD2 3.45Å; L228-F232 PolarHBondContact O-N 2.94Å; M230-F232 PolarHBondContact O-N 2.81Å; F232-K235 PolarHBondContact O-N 3.09Å; F232-G236 PolarHBondContact O-N 3.33Å; F232-H251 HydrophobicContact CD1-CB 4.41Å; F232-Q254 HydrophobicContact CD1-CB 4.11Å; F232-Q254 HydrophobicContact CD2-CB 4.12Å; F232-Q254 HydrophobicContact CE1-CB 4.2Å; F232-Q254 HydrophobicContact CE2-CB 4.2Å; F232-Q254 HydrophobicContact CG-CB 4.07Å; F232-Q254 HydrophobicContact CZ-CB 4.22Å; F232-A255 HydrophobicContact CB-CB 3.71Å; F232-Q258 HydrophobicContact CD2-CG 4.25Å; F232-Q258 HydrophobicContact CE2-CG 4.38Å
233H95.6Very high91.9Very high2 Ų234.1 Ų34.11%0.00915%0.154CC..Hα-helixtrans-63.7-46.4176.6-170.8-172.8000111.1A229 M230 G231 G236 R237 A255 L276 D279A229-H233 WeakPolarHBondContact O-CB 3.08Å; A229-H233 PolarHBondContact O-N 3.28Å; M230-H233 WeakPolarHBondContact O-CB 3.27Å; M230-H233 PolarHBondContact O-N 3.26Å; M230-H233 VanDerWaalsContact O-N 3.12Å; G231-H233 VanDerWaalsContact C-N 3.32Å; G231-H233 PolarHBondContact O-N 2.94Å; H233-G236 PolarHBondContact O-N 2.93Å; H233-R237 PolarHBondContact CE1-NH1 3.41Å; H233-R237 WeakPolarHBondContact O-CG 3.2Å; H233-R237 PolarHBondContact O-N 2.89Å; H233-A255 HydrophobicContact CB-CB 4.14Å; H233-L276 HydrophobicContact CB-CD1 4.48Å; H233-L276 PolarHBondContact CE1-N 2.56Å; H233-L276 VanDerWaalsContact CE1-N 3.35Å; H233-D279 IonicContact CD2-OD2 2.71Å; H233-D279 IonicContact CE1-OD2 3.71Å; H233-D279 IonicContact NE2-OD2 3.88Å; H233-D279 PolarHBondContact NE2-OD2 2.97Å
234E94.3Very high91.9Very high27 Ų2735.4 Ų35.413%0.12616%0.16CC..Hα-helixtrans-61.1-45.8175.6-63.4-54166.400112.3M230 G231 G236 R237 A238 P570M230-E234 WeakPolarHBondContact O-CG 3.49Å; M230-E234 PolarHBondContact O-N 3.02Å; G231-E234 PolarHBondContact O-N 2.71Å; E234-G236 VanDerWaalsContact C-N 3.27Å; E234-G236 PolarHBondContact O-N 3.25Å; E234-R237 PolarHBondContact O-N 3.02Å; E234-R237 VanDerWaalsContact O-N 3.07Å; E234-R237 IonicContact OE1-CZ 3.35Å; E234-R237 IonicContact OE1-NH2 3.96Å; E234-R237 PolarHBondContact OE1-NH2 2.93Å; E234-R237 IonicContact OE2-CZ 3.99Å; E234-R237 VanDerWaalsContact OE2-CZ 3.3Å; E234-R237 IonicContact OE2-NE 3.97Å; E234-R237 PolarHBondContact OE2-NE 3.35Å; E234-R237 IonicContact OE2-NH2 2.86Å; E234-R237 PolarHBondContact OE2-NH2 3.18Å; E234-A238 PolarHBondContact O-N 3.25Å; E234-P570 WeakPolarHBondContact OE2-CG 3.47Å
235K93.5Very high91.9Very high15 Ų1534.4 Ų34.47%0.06516%0.155CC..Hα-helixtrans-56.2-44.7174.5-173.865.8167.3-170.10111.3T184 G231 F232 R237 A238 L239 H251 E564 D568T184-K235 HydrophobicContact CG2-CB 4.15Å; T184-K235 HydrophobicContact CG2-CG 4.24Å; G231-K235 PolarHBondContact O-N 2.99Å; F232-K235 PolarHBondContact O-N 3.09Å; K235-R237 PolarHBondContact O-N 2.9Å; K235-A238 PolarHBondContact O-N 3.27Å; K235-L239 HydrophobicContact CG-CD1 4.31Å; K235-L239 VanDerWaalsContact O-CG 3.31Å; K235-L239 WeakPolarHBondContact O-CG 3.44Å; K235-L239 PolarHBondContact O-N 3.48Å; K235-L239 VanDerWaalsContact O-N 3.1Å; K235-H251 VanDerWaalsContact CG-CD2 3.45Å; K235-H251 WeakPolarHBondContact CG-CD2 3.49Å; K235-E564 IonicContact NZ-OE1 2.93Å; K235-D568 HydrophobicContact CD-CB 4.09Å; K235-D568 WeakPolarHBondContact CD-OD2 3.29Å; K235-D568 WeakPolarHBondContact CE-OD2 3.44Å; K235-D568 VanDerWaalsContact NZ-CG 3.28Å; K235-D568 IonicContact NZ-OD1 3.41Å; K235-D568 PolarHBondContact NZ-OD1 2.97Å; K235-D568 IonicContact NZ-OD2 3.54Å; K235-D568 PolarHBondContact NZ-OD2 3.39Å
236G94.6Very high91.5Very high0 Ų035.2 Ų35.20%016%0.159CC..Hα-helixtrans-57.5-4617500000112.3F232 H233 E234 L239 M240 A248F232-G236 PolarHBondContact O-N 3.33Å; H233-G236 PolarHBondContact O-N 2.93Å; E234-G236 VanDerWaalsContact C-N 3.27Å; E234-G236 PolarHBondContact O-N 3.25Å; G236-L239 PolarHBondContact O-N 3.35Å; G236-M240 WeakPolarHBondContact O-CG 3.49Å; G236-M240 PolarHBondContact O-N 2.94Å; G236-A248 WeakPolarHBondContact O-CB 3.48Å
237R94.5Very high91.2Very high22 Ų2235 Ų358%0.08316%0.158CC..Hα-helixtrans-66.4-40.9177.9-71.4-164.3-72.8-140.514.6113.1H233 E234 K235 L239 M240 K241 Y576H233-R237 PolarHBondContact CE1-NH1 3.41Å; H233-R237 WeakPolarHBondContact O-CG 3.2Å; H233-R237 PolarHBondContact O-N 2.89Å; E234-R237 PolarHBondContact O-N 3.02Å; E234-R237 VanDerWaalsContact O-N 3.07Å; E234-R237 IonicContact OE1-CZ 3.35Å; E234-R237 IonicContact OE1-NH2 3.96Å; E234-R237 PolarHBondContact OE1-NH2 2.93Å; E234-R237 IonicContact OE2-CZ 3.99Å; E234-R237 VanDerWaalsContact OE2-CZ 3.3Å; E234-R237 IonicContact OE2-NE 3.97Å; E234-R237 PolarHBondContact OE2-NE 3.35Å; E234-R237 IonicContact OE2-NH2 2.86Å; E234-R237 PolarHBondContact OE2-NH2 3.18Å; K235-R237 PolarHBondContact O-N 2.9Å; R237-L239 VanDerWaalsContact C-N 3.25Å; R237-L239 PolarHBondContact O-N 3.24Å; R237-M240 WeakPolarHBondContact O-CB 3.17Å; R237-M240 PolarHBondContact O-N 3.1Å; R237-M240 VanDerWaalsContact O-N 3.14Å; R237-K241 WeakPolarHBondContact O-CG 3.38Å; R237-K241 PolarHBondContact O-N 3.15Å; R237-Y576 VanDerWaalsContact CZ-CB 3.45Å; R237-Y576 VanDerWaalsContact NH1-CB 3.27Å
238A91.6Very high91.2Very high16 Ų1634.6 Ų34.613%0.13216%0.156CC..Hα-helixtrans-58.1-40.7174.400000111.3E234 K235 K241 R242 D568E234-A238 PolarHBondContact O-N 3.25Å; K235-A238 PolarHBondContact O-N 3.27Å; A238-K241 PolarHBondContact O-N 2.97Å; A238-R242 WeakPolarHBondContact O-CG 3.27Å; A238-R242 PolarHBondContact O-N 3.09Å; A238-D568 HydrophobicContact CB-CB 4.38Å
239L90.8Very high91.1Very high11 Ų1134.1 Ų34.16%0.05815%0.154CC..Hα-helixtrans-69.4-38.3174.5-66.6167000112.7K235 G236 R237 K241 R242 K243 Q244 A247 A248 H251K235-L239 HydrophobicContact CG-CD1 4.31Å; K235-L239 VanDerWaalsContact O-CG 3.31Å; K235-L239 WeakPolarHBondContact O-CG 3.44Å; K235-L239 PolarHBondContact O-N 3.48Å; K235-L239 VanDerWaalsContact O-N 3.1Å; G236-L239 PolarHBondContact O-N 3.35Å; R237-L239 VanDerWaalsContact C-N 3.25Å; R237-L239 PolarHBondContact O-N 3.24Å; L239-K241 PolarHBondContact O-N 3.48Å; L239-R242 CarbonylContact O-C 3.41Å; L239-R242 WeakPolarHBondContact O-CA 3.24Å; L239-R242 PolarHBondContact O-N 2.83Å; L239-R242 VanDerWaalsContact O-N 3.12Å; L239-K243 PolarHBondContact O-N 2.76Å; L239-Q244 HydrophobicContact CB-CB 4.43Å; L239-Q244 HydrophobicContact CD2-CB 4.43Å; L239-Q244 PolarHBondContact O-N 3.35Å; L239-A247 HydrophobicContact CD1-CB 3.99Å; L239-A247 HydrophobicContact CD2-CB 4.32Å; L239-A248 HydrophobicContact CB-CB 3.78Å; L239-H251 WeakPolarHBondContact CD1-ND1 3.27Å
240M92.8Very high90.9Very high13 Ų1334.3 Ų34.36%0.06416%0.155CC..Hα-helixtrans-60.9-42.8173.2-69.817174.900111.8G236 R237 R242 K243 Y245 A248 L252 D279 W282G236-M240 WeakPolarHBondContact O-CG 3.49Å; G236-M240 PolarHBondContact O-N 2.94Å; R237-M240 WeakPolarHBondContact O-CB 3.17Å; R237-M240 PolarHBondContact O-N 3.1Å; R237-M240 VanDerWaalsContact O-N 3.14Å; M240-R242 PolarHBondContact O-N 2.86Å; M240-K243 WeakPolarHBondContact O-CA 3.49Å; M240-K243 PolarHBondContact O-N 3.46Å; M240-Y245 HydrophobicContact CG-CD1 4.4Å; M240-A248 HydrophobicContact CG-CB 3.65Å; M240-L252 HydrophobicContact SD-CD1 3.91Å; M240-D279 HydrophobicContact CE-CB 4.09Å; M240-D279 HydrophobicContact SD-CB 3.94Å; M240-W282 HydrophobicContact CE-CB 3.99Å; M240-W282 VanDerWaalsContact CE-CD1 3.48Å; M240-W282 HydrophobicContact CE-CG 4Å
241K90.4Very high91Very high123 Ų12331.3 Ų31.354%0.53514%0.14SC..Hα-helixtrans-58.7-30.6174.8-73.8-179.9170.6-171.20112.3R237 A238 L239 K243 D575R237-K241 WeakPolarHBondContact O-CG 3.38Å; R237-K241 PolarHBondContact O-N 3.15Å; A238-K241 PolarHBondContact O-N 2.97Å; L239-K241 PolarHBondContact O-N 3.48Å; K241-K243 VanDerWaalsContact C-N 3.3Å; K241-D575 IonicContact NZ-OD1 2.67Å; K241-D575 PolarHBondContact NZ-OD1 3.3Å; K241-D575 IonicContact NZ-OD2 2.68Å; K241-D575 PolarHBondContact NZ-OD2 3.06Å
242R88.8Confident91.1Very high147 Ų14731.2 Ų31.256%0.55514%0.139SC*.THydrogen-bonded Turntrans-86.44.8174.2-61.9172.1-172.1163.34.8113.4A238 L239 M240 Q244A238-R242 WeakPolarHBondContact O-CG 3.27Å; A238-R242 PolarHBondContact O-N 3.09Å; L239-R242 CarbonylContact O-C 3.41Å; L239-R242 WeakPolarHBondContact O-CA 3.24Å; L239-R242 PolarHBondContact O-N 2.83Å; L239-R242 VanDerWaalsContact O-N 3.12Å; M240-R242 PolarHBondContact O-N 2.86Å; R242-Q244 HydrophobicContact CB-CG 4.28Å; R242-Q244 PolarHBondContact O-N 3.1Å
243K88.8Confident91Very high128 Ų12831.4 Ų31.456%0.55714%0.14SC*.THydrogen-bonded Turntrans59.622-176.2-55.8-174.3178.2-175.80114.3L239 M240 K241 Y245L239-K243 PolarHBondContact O-N 2.76Å; M240-K243 WeakPolarHBondContact O-CA 3.49Å; M240-K243 PolarHBondContact O-N 3.46Å; K241-K243 VanDerWaalsContact C-N 3.3Å; K243-Y245 VanDerWaalsContact C-N 3.31Å; K243-Y245 HydrophobicContact CB-CE2 3.81Å; K243-Y245 HydrophobicContact CG-CE2 4.35Å; K243-Y245 VanDerWaalsContact O-CD2 3.24Å; K243-Y245 WeakPolarHBondContact O-CD2 3.4Å; K243-Y245 PolarHBondContact O-N 2.95Å
244Q86.8Confident90.8Very high82 Ų8233.8 Ų33.838%0.38315%0.151SC..  trans-89.963.7176.6-66.8178.6-23.400110.1L239 R242 D246 A247 A248L239-Q244 HydrophobicContact CB-CB 4.43Å; L239-Q244 HydrophobicContact CD2-CB 4.43Å; L239-Q244 PolarHBondContact O-N 3.35Å; R242-Q244 HydrophobicContact CB-CG 4.28Å; R242-Q244 PolarHBondContact O-N 3.1Å; Q244-D246 VanDerWaalsContact C-N 3.28Å; Q244-D246 PolarHBondContact O-N 3.5Å; Q244-A247 HydrophobicContact CB-CB 4.36Å; Q244-A247 PolarHBondContact O-N 3.5Å; Q244-A248 WeakPolarHBondContact O-CB 3.47Å; Q244-A248 PolarHBondContact O-N 2.72Å
245Y87.8Confident90.9Very high32 Ų3232.5 Ų32.513%0.12515%0.145CC..Hα-helixtrans-66.4-26.3-171-56.6-79.9000113.8M240 K243 L249 A286 E583M240-Y245 HydrophobicContact CG-CD1 4.4Å; K243-Y245 VanDerWaalsContact C-N 3.31Å; K243-Y245 HydrophobicContact CB-CE2 3.81Å; K243-Y245 HydrophobicContact CG-CE2 4.35Å; K243-Y245 VanDerWaalsContact O-CD2 3.24Å; K243-Y245 WeakPolarHBondContact O-CD2 3.4Å; K243-Y245 PolarHBondContact O-N 2.95Å; Y245-L249 VanDerWaalsContact O-CB 3.28Å; Y245-L249 WeakPolarHBondContact O-CB 3.48Å; Y245-L249 PolarHBondContact O-N 2.96Å; Y245-A286 HydrophobicContact CD1-CB 3.6Å; Y245-A286 HydrophobicContact CD2-CB 3.62Å; Y245-A286 HydrophobicContact CE1-CB 3.84Å; Y245-A286 HydrophobicContact CE2-CB 3.86Å; Y245-A286 HydrophobicContact CG-CB 3.48Å; Y245-A286 VanDerWaalsContact CG-CB 3.48Å; Y245-E583 PolarHBondContact OH-OE1 3.38Å
246D81.6Confident91Very high27 Ų2732.6 Ų32.614%0.14415%0.146CC..Hα-helixtrans-64.6-51.1173.858.7-50.7000111.2L156 S159 Q244 C250 L287L156-D246 HydrophobicContact CD1-CB 3.87Å; L156-D246 HydrophobicContact CD2-CB 4.31Å; L156-D246 HydrophobicContact CG-CB 4.16Å; S159-D246 PolarHBondContact N-OD2 3.36Å; S159-D246 PolarHBondContact OG-OD2 3.36Å; S159-D246 VanDerWaalsContact OG-OD2 3.08Å; Q244-D246 VanDerWaalsContact C-N 3.28Å; Q244-D246 PolarHBondContact O-N 3.5Å; D246-C250 PolarHBondContact O-N 3.39Å; D246-C250 PolarHBondContact O-SG 2.86Å; D246-C250 VanDerWaalsContact O-SG 3.39Å; D246-L287 HydrophobicContact CB-CD2 4.35Å
247A84.3Confident90.8Very high6 Ų636.7 Ų36.75%0.0517%0.168CC..Hα-helixtrans-68-39.3177.100000111.6L239 Q244 C250 H251L239-A247 HydrophobicContact CD1-CB 3.99Å; L239-A247 HydrophobicContact CD2-CB 4.32Å; Q244-A247 HydrophobicContact CB-CB 4.36Å; Q244-A247 PolarHBondContact O-N 3.5Å; A247-C250 WeakPolarHBondContact O-CB 3.24Å; A247-C250 PolarHBondContact O-N 3.24Å; A247-H251 PolarHBondContact O-N 2.88Å; A247-H251 PolarHBondContact O-ND1 3.44Å
248A92.1Very high90.7Very high0 Ų037.5 Ų37.50%017%0.173CC..Hα-helixtrans-59.2-50.3176.500000111.3G236 L239 M240 Q244 C250 H251 L252G236-A248 WeakPolarHBondContact O-CB 3.48Å; L239-A248 HydrophobicContact CB-CB 3.78Å; M240-A248 HydrophobicContact CG-CB 3.65Å; Q244-A248 WeakPolarHBondContact O-CB 3.47Å; Q244-A248 PolarHBondContact O-N 2.72Å; A248-C250 PolarHBondContact O-N 3.1Å; A248-H251 PolarHBondContact O-N 2.88Å; A248-L252 WeakPolarHBondContact O-CG 3.46Å; A248-L252 PolarHBondContact O-N 3.42Å
249L91.1Very high90.7Very high0 Ų036.9 Ų36.90%017%0.167CC..Hα-helixtrans-56.8-37.7-178.9-177.761.3000111.9I130 M154 Y245 H251 L252 L253 I280 C283 Y284 L287I130-L249 HydrophobicContact CD1-CD2 3.98Å; M154-L249 HydrophobicContact CE-CD2 3.76Å; Y245-L249 VanDerWaalsContact O-CB 3.28Å; Y245-L249 WeakPolarHBondContact O-CB 3.48Å; Y245-L249 PolarHBondContact O-N 2.96Å; L249-H251 PolarHBondContact O-N 2.84Å; L249-L252 PolarHBondContact O-N 3.21Å; L249-L253 HydrophobicContact CD1-CD1 4.24Å; L249-L253 HydrophobicContact CD1-CD2 4.27Å; L249-L253 HydrophobicContact CD1-CG 3.97Å; L249-L253 HydrophobicContact CG-CD1 4.17Å; L249-L253 HydrophobicContact CG-CG 4.3Å; L249-L253 WeakPolarHBondContact O-CB 3.33Å; L249-L253 VanDerWaalsContact O-CG 3.29Å; L249-L253 WeakPolarHBondContact O-CG 3.45Å; L249-L253 PolarHBondContact O-N 3.46Å; L249-I280 HydrophobicContact CD1-CG2 4.04Å; L249-C283 HydrophobicContact CB-CB 4.13Å; L249-C283 HydrophobicContact CD1-CB 4.08Å; L249-Y284 HydrophobicContact CD1-CD1 4.1Å; L249-Y284 HydrophobicContact CD1-CE1 3.74Å; L249-Y284 HydrophobicContact CD2-CD1 4.05Å; L249-Y284 HydrophobicContact CD2-CE1 3.95Å; L249-Y284 HydrophobicContact CG-CE1 4.49Å; L249-L287 HydrophobicContact CB-CD1 4.32Å; L249-L287 HydrophobicContact CD2-CD1 3.71Å
250C89.3Confident90.6Very high4 Ų439.1 Ų39.13%0.02719%0.193CC..Hα-helixtrans-58.9-45.1175.8-65.80000112.5D246 A247 A248 Q254D246-C250 PolarHBondContact O-N 3.39Å; D246-C250 PolarHBondContact O-SG 2.86Å; D246-C250 VanDerWaalsContact O-SG 3.39Å; A247-C250 WeakPolarHBondContact O-CB 3.24Å; A247-C250 PolarHBondContact O-N 3.24Å; A248-C250 PolarHBondContact O-N 3.1Å; C250-Q254 WeakPolarHBondContact O-CG 3.32Å; C250-Q254 PolarHBondContact O-N 3.38Å
251H93.4Very high90.3Very high0 Ų042.7 Ų42.70%022%0.216CC..Hα-helixtrans-73.7-39.4-180-64.282.5000111.4S180 F232 K235 L239 A247 A248 L249 L253 Q254 A255S180-H251 PolarHBondContact OG-CE1 2.96Å; S180-H251 PolarHBondContact OG-NE2 3.09Å; S180-H251 VanDerWaalsContact OG-NE2 3.15Å; F232-H251 HydrophobicContact CD1-CB 4.41Å; K235-H251 VanDerWaalsContact CG-CD2 3.45Å; K235-H251 WeakPolarHBondContact CG-CD2 3.49Å; L239-H251 WeakPolarHBondContact CD1-ND1 3.27Å; A247-H251 PolarHBondContact O-N 2.88Å; A247-H251 PolarHBondContact O-ND1 3.44Å; A248-H251 PolarHBondContact O-N 2.88Å; L249-H251 PolarHBondContact O-N 2.84Å; H251-L253 VanDerWaalsContact C-N 3.34Å; H251-L253 PolarHBondContact O-N 2.92Å; H251-Q254 WeakPolarHBondContact O-CB 3.5Å; H251-Q254 PolarHBondContact O-N 3.37Å; H251-Q254 VanDerWaalsContact O-N 3.15Å; H251-A255 PolarHBondContact O-N 2.89Å
252L95.6Very high90.1Very high0 Ų037.4 Ų37.40%019%0.194CC..Hα-helixtrans-63.3-38.1177.5-62.6175.1000112.4M240 A248 L249 Q254 A255 D256 L276 D279 I280M240-L252 HydrophobicContact SD-CD1 3.91Å; A248-L252 WeakPolarHBondContact O-CG 3.46Å; A248-L252 PolarHBondContact O-N 3.42Å; L249-L252 PolarHBondContact O-N 3.21Å; L252-Q254 VanDerWaalsContact C-N 3.33Å; L252-A255 WeakPolarHBondContact O-CB 3.45Å; L252-A255 PolarHBondContact O-N 2.93Å; L252-D256 PolarHBondContact O-N 2.91Å; L252-L276 HydrophobicContact CB-CD1 3.9Å; L252-L276 HydrophobicContact CD2-CD1 3.67Å; L252-L276 HydrophobicContact CG-CD1 4.35Å; L252-D279 HydrophobicContact CD1-CB 4.05Å; L252-D279 HydrophobicContact CD2-CB 4.39Å; L252-I280 HydrophobicContact CB-CD1 4.41Å; L252-I280 HydrophobicContact CB-CG1 3.68Å; L252-I280 HydrophobicContact CD1-CG1 4.32Å
253L93.3Very high89.8Confident4 Ų431.9 Ų31.92%0.02118%0.183CC..Hα-helixtrans-67.5-34.3174.8-68.1-178.1000112.2I130 G133 L249 H251 D256 D257 I280I130-L253 HydrophobicContact CD1-CD1 4.08Å; I130-L253 HydrophobicContact CG2-CD1 4.41Å; G133-L253 WeakPolarHBondContact O-CD2 3.31Å; L249-L253 HydrophobicContact CD1-CD1 4.24Å; L249-L253 HydrophobicContact CD1-CD2 4.27Å; L249-L253 HydrophobicContact CD1-CG 3.97Å; L249-L253 HydrophobicContact CG-CD1 4.17Å; L249-L253 HydrophobicContact CG-CG 4.3Å; L249-L253 WeakPolarHBondContact O-CB 3.33Å; L249-L253 VanDerWaalsContact O-CG 3.29Å; L249-L253 WeakPolarHBondContact O-CG 3.45Å; L249-L253 PolarHBondContact O-N 3.46Å; H251-L253 VanDerWaalsContact C-N 3.34Å; H251-L253 PolarHBondContact O-N 2.92Å; L253-D256 WeakPolarHBondContact O-CB 3.11Å; L253-D256 PolarHBondContact O-N 3.09Å; L253-D257 PolarHBondContact O-N 3.46Å; L253-D257 VanDerWaalsContact O-N 3.09Å; L253-I280 HydrophobicContact CD2-CD1 4.17Å; L253-I280 HydrophobicContact CD2-CG1 4.49Å; L253-I280 HydrophobicContact CD2-CG2 4.17Å
254Q92.6Very high89.1Confident52 Ų5230.3 Ų30.324%0.24319%0.188CC..Hα-helixtrans-67.2-38.7171.8-67.3-64.2-51.500111.9V181 F232 C250 H251 L252 D256 D257 Q258V181-Q254 HydrophobicContact CG1-CG 3.75Å; F232-Q254 HydrophobicContact CD1-CB 4.11Å; F232-Q254 HydrophobicContact CD2-CB 4.12Å; F232-Q254 HydrophobicContact CE1-CB 4.2Å; F232-Q254 HydrophobicContact CE2-CB 4.2Å; F232-Q254 HydrophobicContact CG-CB 4.07Å; F232-Q254 HydrophobicContact CZ-CB 4.22Å; C250-Q254 WeakPolarHBondContact O-CG 3.32Å; C250-Q254 PolarHBondContact O-N 3.38Å; H251-Q254 WeakPolarHBondContact O-CB 3.5Å; H251-Q254 PolarHBondContact O-N 3.37Å; H251-Q254 VanDerWaalsContact O-N 3.15Å; L252-Q254 VanDerWaalsContact C-N 3.33Å; Q254-D256 VanDerWaalsContact C-N 3.29Å; Q254-D256 PolarHBondContact O-N 3.23Å; Q254-D257 PolarHBondContact O-N 3.3Å; Q254-Q258 WeakPolarHBondContact O-CG 3.39Å; Q254-Q258 PolarHBondContact O-N 2.9Å
255A95.6Very high88.6Confident0 Ų031.5 Ų31.50%020%0.201CC..Hα-helixtrans-58.7-42.5171.700000111.4A229 F232 H233 H251 L252 D257 Q258 F259 L276A229-A255 WeakPolarHBondContact O-CB 3.26Å; F232-A255 HydrophobicContact CB-CB 3.71Å; H233-A255 HydrophobicContact CB-CB 4.14Å; H251-A255 PolarHBondContact O-N 2.89Å; L252-A255 WeakPolarHBondContact O-CB 3.45Å; L252-A255 PolarHBondContact O-N 2.93Å; A255-D257 PolarHBondContact O-N 3.43Å; A255-Q258 PolarHBondContact O-N 3.4Å; A255-F259 VanDerWaalsContact O-CD2 3.24Å; A255-F259 WeakPolarHBondContact O-CD2 3.41Å; A255-F259 PolarHBondContact O-N 3.4Å; A255-L276 HydrophobicContact CB-CD1 3.95Å; A255-L276 HydrophobicContact CB-CD2 3.73Å
256D94.5Very high88.1Confident18 Ų1831.5 Ų31.510%0.09620%0.203CC..Hα-helixtrans-63.2-42.7-179.9-168.746.1000111.3L252 L253 Q254 F259 G260 Y273 L276 Q277 I280 R299L252-D256 PolarHBondContact O-N 2.91Å; L253-D256 WeakPolarHBondContact O-CB 3.11Å; L253-D256 PolarHBondContact O-N 3.09Å; Q254-D256 VanDerWaalsContact C-N 3.29Å; Q254-D256 PolarHBondContact O-N 3.23Å; D256-F259 PolarHBondContact O-N 3.4Å; D256-G260 PolarHBondContact O-N 3.34Å; D256-Y273 VanDerWaalsContact OD1-CE2 3.26Å; D256-Y273 WeakPolarHBondContact OD1-CE2 3.37Å; D256-Y273 PolarHBondContact OD1-OH 3.19Å; D256-L276 HydrophobicContact CB-CD2 4.04Å; D256-Q277 PolarHBondContact OD1-NE2 3.12Å; D256-I280 HydrophobicContact CB-CD1 4.02Å; D256-R299 VanDerWaalsContact CG-NH1 3.3Å; D256-R299 IonicContact OD1-NH1 3.26Å; D256-R299 IonicContact OD2-CZ 3.62Å; D256-R299 VanDerWaalsContact OD2-CZ 3.31Å; D256-R299 IonicContact OD2-NH1 2.72Å; D256-R299 PolarHBondContact OD2-NH1 2.93Å; D256-R299 IonicContact OD2-NH2 3.74Å; D256-R299 PolarHBondContact OD2-NH2 3.19Å
257D91.9Very high87.9Confident86 Ų8631.7 Ų31.746%0.4620%0.204SC..Hα-helixtrans-61.6-44.3174.3-75.6-23.1000111.7L253 Q254 A255 G260L253-D257 PolarHBondContact O-N 3.46Å; L253-D257 VanDerWaalsContact O-N 3.09Å; Q254-D257 PolarHBondContact O-N 3.3Å; A255-D257 PolarHBondContact O-N 3.43Å; D257-G260 PolarHBondContact O-N 3.01Å
258Q92.6Very high87.3Confident39 Ų3933.9 Ų33.918%0.18222%0.219CC..Hα-helixtrans-67.2-43.9178.4-65.8-56.9-44.600112.2L228 A229 F232 Q254 A255 G260 T261L228-Q258 HydrophobicContact CB-CG 4.09Å; A229-Q258 HydrophobicContact CB-CB 3.64Å; F232-Q258 HydrophobicContact CD2-CG 4.25Å; F232-Q258 HydrophobicContact CE2-CG 4.38Å; Q254-Q258 WeakPolarHBondContact O-CG 3.39Å; Q254-Q258 PolarHBondContact O-N 2.9Å; A255-Q258 PolarHBondContact O-N 3.4Å; Q258-G260 PolarHBondContact O-N 3.33Å; Q258-T261 WeakPolarHBondContact O-CB 3.17Å; Q258-T261 PolarHBondContact O-N 3.31Å; Q258-T261 PolarHBondContact O-OG1 3.03Å
259F91.6Very high86.3Confident2 Ų237.1 Ų37.11%0.00924%0.239CC..Hα-helixtrans-58.7-36172.7-86.5-64.1000111.6L226 A229 M230 A255 D256 T261 C262 L267 N272 Y273 L276L226-F259 HydrophobicContact CD1-CD1 4.18Å; L226-F259 HydrophobicContact CD1-CE1 3.53Å; L226-F259 HydrophobicContact CD1-CZ 4.34Å; A229-F259 HydrophobicContact CB-CB 4.45Å; A229-F259 HydrophobicContact CB-CD1 3.95Å; A229-F259 HydrophobicContact CB-CD2 3.62Å; A229-F259 HydrophobicContact CB-CE1 4.06Å; A229-F259 HydrophobicContact CB-CE2 3.72Å; A229-F259 HydrophobicContact CB-CG 3.73Å; A229-F259 HydrophobicContact CB-CZ 3.94Å; M230-F259 HydrophobicContact CG-CZ 4.28Å; A255-F259 VanDerWaalsContact O-CD2 3.24Å; A255-F259 WeakPolarHBondContact O-CD2 3.41Å; A255-F259 PolarHBondContact O-N 3.4Å; D256-F259 PolarHBondContact O-N 3.4Å; F259-T261 PolarHBondContact O-N 3.32Å; F259-T261 VanDerWaalsContact O-N 3.09Å; F259-C262 WeakPolarHBondContact O-CB 3.43Å; F259-C262 PolarHBondContact O-N 2.87Å; F259-L267 HydrophobicContact CB-CD2 4.01Å; F259-L267 HydrophobicContact CD1-CD2 3.63Å; F259-L267 HydrophobicContact CG-CD2 4.23Å; F259-L267 WeakPolarHBondContact O-CD1 3.27Å; F259-N272 HydrophobicContact CE1-CB 4.43Å; F259-N272 HydrophobicContact CZ-CB 4.07Å; F259-Y273 HydrophobicContact CB-CD2 3.57Å; F259-Y273 HydrophobicContact CB-CE2 3.83Å; F259-Y273 HydrophobicContact CD1-CD2 4.33Å; F259-Y273 HydrophobicContact CD2-CD2 4.04Å; F259-Y273 AromaticContact CG-CD2 3.74Å; F259-Y273 HydrophobicContact CG-CD2 3.74Å; F259-Y273 HydrophobicContact CG-CE2 4.45Å; F259-L276 HydrophobicContact CD2-CD2 3.4Å; F259-L276 HydrophobicContact CE2-CD2 3.77Å
260G87.2Confident85.8Confident59 Ų5939.2 Ų39.261%0.60825%0.251SS*.THydrogen-bonded Turntrans-60.5-16.3174.900000114.7D256 D257 Q258D256-G260 PolarHBondContact O-N 3.34Å; D257-G260 PolarHBondContact O-N 3.01Å; Q258-G260 PolarHBondContact O-N 3.33Å
261T87.7Confident85.7Confident88 Ų8840.2 Ų40.254%0.5426%0.257SS..THydrogen-bonded Turntrans-90.1-10.7174.4730000114A225 Q258 F259A225-T261 WeakPolarHBondContact CB-OG1 3.46Å; Q258-T261 WeakPolarHBondContact O-CB 3.17Å; Q258-T261 PolarHBondContact O-N 3.31Å; Q258-T261 PolarHBondContact O-OG1 3.03Å; F259-T261 PolarHBondContact O-N 3.32Å; F259-T261 VanDerWaalsContact O-N 3.09Å
262C85.6Confident85.6Confident11 Ų1142.1 Ų42.17%0.07427%0.267CS..SBendtrans-80.3157.4176.4-60.30000111.9E222 F259 L266 L267E222-C262 HydrophobicContact CG-CB 4.45Å; F259-C262 WeakPolarHBondContact O-CB 3.43Å; F259-C262 PolarHBondContact O-N 2.87Å; C262-L266 HydrophobicContact CB-CD2 4.42Å; C262-L267 HydrophobicContact CB-CD2 4.15Å; C262-L267 HydrophobicContact CB-CG 4.21Å
263G81.4Confident85.4Confident32 Ų3244 Ų4433%0.3327%0.274SS..  trans-66.2144.2178.800000112.9E222 V265 L266 L267E222-G263 WeakPolarHBondContact OE1-CA 3.48Å; E222-G263 PolarHBondContact OE1-N 3.49Å; G263-V265 PolarHBondContact O-N 3.17Å; G263-L266 PolarHBondContact O-N 3.1Å; G263-L266 VanDerWaalsContact O-N 3.11Å; G263-L267 PolarHBondContact O-N 3.01Å
264S74.3Confident85.4Confident95 Ų9543.8 Ų43.866%0.66427%0.273SS*.Hα-helixtrans-61-28.2-177.158.90000114.1S268S264-S268 WeakPolarHBondContact O-CB 3.44Å; S264-S268 PolarHBondContact O-N 3.31Å; S264-S268 VanDerWaalsContact O-N 3.16Å; S264-S268 PolarHBondContact O-OG 2.85Å
265V77.5Confident85.6Confident107 Ų10741.4 Ų41.465%0.64826%0.262SS*.Hα-helixtrans-65.9-45.9176.1178.80000110.5G263 S268 T269G263-V265 PolarHBondContact O-N 3.17Å; V265-S268 PolarHBondContact O-N 2.96Å; V265-S268 PolarHBondContact O-OG 3.42Å; V265-T269 WeakPolarHBondContact O-CB 3.45Å; V265-T269 PolarHBondContact O-N 3.21Å; V265-T269 PolarHBondContact O-OG1 3.44Å
266L76.9Confident85.6Confident31 Ų3141.4 Ų41.416%0.16226%0.262CS..Hα-helixtrans-63.3-49.8179-173.960.8000110.4E222 L226 C262 G263 S268 T269 V270E222-L266 HydrophobicContact CG-CD2 4.23Å; L226-L266 HydrophobicContact CD2-CD2 3.81Å; C262-L266 HydrophobicContact CB-CD2 4.42Å; G263-L266 PolarHBondContact O-N 3.1Å; G263-L266 VanDerWaalsContact O-N 3.11Å; L266-S268 PolarHBondContact O-N 2.93Å; L266-S268 VanDerWaalsContact O-N 3.14Å; L266-T269 PolarHBondContact O-N 3.15Å; L266-T269 VanDerWaalsContact O-N 3.12Å; L266-V270 PolarHBondContact O-N 2.94Å
267L77.7Confident85.6Confident32 Ų3240.6 Ų40.617%0.16826%0.258CS..Hα-helixtrans-61.4-23.2-179.8-65.1175.8000114.6F259 C262 G263 Y273F259-L267 HydrophobicContact CB-CD2 4.01Å; F259-L267 HydrophobicContact CD1-CD2 3.63Å; F259-L267 HydrophobicContact CG-CD2 4.23Å; F259-L267 WeakPolarHBondContact O-CD1 3.27Å; C262-L267 HydrophobicContact CB-CD2 4.15Å; C262-L267 HydrophobicContact CB-CG 4.21Å; G263-L267 PolarHBondContact O-N 3.01Å; L267-Y273 HydrophobicContact CD2-CD2 4.27Å; L267-Y273 HydrophobicContact CD2-CG 4.11Å
268S71.8Confident85.8Confident52 Ų5236.5 Ų36.536%0.36424%0.236SC..Hα-helixtrans-99.2-6.8179.958.10000114.2S264 V265 L266S264-S268 WeakPolarHBondContact O-CB 3.44Å; S264-S268 PolarHBondContact O-N 3.31Å; S264-S268 VanDerWaalsContact O-N 3.16Å; S264-S268 PolarHBondContact O-OG 2.85Å; V265-S268 PolarHBondContact O-N 2.96Å; V265-S268 PolarHBondContact O-OG 3.42Å; L266-S268 PolarHBondContact O-N 2.93Å; L266-S268 VanDerWaalsContact O-N 3.14Å
269T71.7Confident86Confident68 Ų6835 Ų3542%0.41723%0.229SC..Hα-helixtrans-101.5-25.9-176.9-55.60000112.7V265 L266V265-T269 WeakPolarHBondContact O-CB 3.45Å; V265-T269 PolarHBondContact O-N 3.21Å; V265-T269 PolarHBondContact O-OG1 3.44Å; L266-T269 PolarHBondContact O-N 3.15Å; L266-T269 VanDerWaalsContact O-N 3.12Å
270V80.4Confident86.2Confident44 Ų4434.9 Ų34.927%0.26723%0.229SC..SBendtrans-114.5152.1179.3-55.60000111.6L266 N272L266-V270 PolarHBondContact O-N 2.94Å; V270-N272 HydrophobicContact CG2-CB 4.39Å
271D87Confident86.7Confident25 Ų2532.4 Ų32.413%0.13420%0.201CC..SBendtrans-82.2-15-177.165.2-40.3000113.5Y273 A274 V275 F307 Y311 Y576D271-Y273 VanDerWaalsContact C-N 3.3Å; D271-Y273 PolarHBondContact O-N 3.33Å; D271-A274 WeakPolarHBondContact O-CA 3.18Å; D271-A274 WeakPolarHBondContact O-CB 3.08Å; D271-A274 PolarHBondContact O-N 2.92Å; D271-V275 WeakPolarHBondContact O-CG2 3.23Å; D271-V275 PolarHBondContact O-N 3.26Å; D271-F307 HydrophobicContact CB-CD1 4.36Å; D271-F307 HydrophobicContact CB-CE1 4.29Å; D271-Y311 HydrophobicContact CB-CE1 4.22Å; D271-Y311 VanDerWaalsContact CB-OH 3.29Å; D271-Y311 WeakPolarHBondContact CB-OH 3.39Å; D271-Y311 VanDerWaalsContact CG-OH 3.32Å; D271-Y311 PolarHBondContact OD2-OH 3.31Å; D271-Y576 PolarHBondContact OD2-OH 2.7Å
272N90.6Very high87Confident40 Ų4028.2 Ų28.221%0.21418%0.176CC..Hα-helixtrans-51.1-45.9-175.5-61.686.2000113.2F259 V270 A274 V275 L276F259-N272 HydrophobicContact CE1-CB 4.43Å; F259-N272 HydrophobicContact CZ-CB 4.07Å; V270-N272 HydrophobicContact CG2-CB 4.39Å; N272-A274 VanDerWaalsContact C-N 3.33Å; N272-A274 PolarHBondContact O-N 3.28Å; N272-V275 PolarHBondContact O-N 2.87Å; N272-L276 PolarHBondContact O-N 2.93Å
273Y92.1Very high87.4Confident38 Ų3827.7 Ų27.715%0.14917%0.172CC..Hα-helixtrans-64.5-38.3179-176.6-116.6000112D256 F259 L267 D271 L276 Q277D256-Y273 VanDerWaalsContact OD1-CE2 3.26Å; D256-Y273 WeakPolarHBondContact OD1-CE2 3.37Å; D256-Y273 PolarHBondContact OD1-OH 3.19Å; F259-Y273 HydrophobicContact CB-CD2 3.57Å; F259-Y273 HydrophobicContact CB-CE2 3.83Å; F259-Y273 HydrophobicContact CD1-CD2 4.33Å; F259-Y273 HydrophobicContact CD2-CD2 4.04Å; F259-Y273 AromaticContact CG-CD2 3.74Å; F259-Y273 HydrophobicContact CG-CD2 3.74Å; F259-Y273 HydrophobicContact CG-CE2 4.45Å; L267-Y273 HydrophobicContact CD2-CD2 4.27Å; L267-Y273 HydrophobicContact CD2-CG 4.11Å; D271-Y273 VanDerWaalsContact C-N 3.3Å; D271-Y273 PolarHBondContact O-N 3.33Å; Y273-L276 WeakPolarHBondContact O-CB 3.44Å; Y273-L276 PolarHBondContact O-N 3.22Å; Y273-Q277 HydrophobicContact CE1-CG 4.22Å; Y273-Q277 WeakPolarHBondContact O-CG 3.07Å; Y273-Q277 PolarHBondContact O-N 3.35Å; Y273-Q277 PolarHBondContact OH-NE2 3.48Å
274A93.2Very high87.9Confident0 Ų026.7 Ų26.70%016%0.158CC..Hα-helixtrans-67.6-40.5177.500000112.3D271 N272 L276 Q277 L278 A303 C306 F307D271-A274 WeakPolarHBondContact O-CA 3.18Å; D271-A274 WeakPolarHBondContact O-CB 3.08Å; D271-A274 PolarHBondContact O-N 2.92Å; N272-A274 VanDerWaalsContact C-N 3.33Å; N272-A274 PolarHBondContact O-N 3.28Å; A274-L276 VanDerWaalsContact C-N 3.31Å; A274-L276 PolarHBondContact O-N 3.24Å; A274-Q277 PolarHBondContact O-N 2.76Å; A274-L278 PolarHBondContact O-N 2.72Å; A274-A303 HydrophobicContact CB-CB 4.32Å; A274-C306 HydrophobicContact CB-CB 3.65Å; A274-F307 HydrophobicContact CB-CD1 3.73Å; A274-F307 HydrophobicContact CB-CE1 3.41Å; A274-F307 VanDerWaalsContact CB-CE1 3.41Å; A274-F307 HydrophobicContact CB-CG 4.5Å; A274-F307 HydrophobicContact CB-CZ 3.93Å
275V95.3Very high88.7Confident3 Ų324.2 Ų24.22%0.01814%0.135CC..Hα-helixtrans-61.8-41.8173.6179.40000110.4D271 N272 Q277 L278 D279 F307 L331 Y576D271-V275 WeakPolarHBondContact O-CG2 3.23Å; D271-V275 PolarHBondContact O-N 3.26Å; N272-V275 PolarHBondContact O-N 2.87Å; V275-Q277 PolarHBondContact O-N 2.76Å; V275-L278 WeakPolarHBondContact O-CB 3.4Å; V275-L278 PolarHBondContact O-N 3.29Å; V275-D279 PolarHBondContact O-N 2.89Å; V275-F307 HydrophobicContact CG2-CE1 3.94Å; V275-F307 HydrophobicContact CG2-CZ 4.13Å; V275-L331 HydrophobicContact CG2-CD1 4.01Å; V275-L331 HydrophobicContact CG2-CD2 4.29Å; V275-Y576 HydrophobicContact CG1-CD2 4.05Å; V275-Y576 HydrophobicContact CG2-CD2 4.32Å; V275-Y576 HydrophobicContact CG2-CE2 3.97Å
276L96.1Very high89.3Confident0 Ų020.3 Ų20.30%011%0.114CC..Hα-helixtrans-59.5-46.6174.5173.764.2000112.2H233 L252 A255 D256 F259 N272 Y273 A274 L278 D279 I280H233-L276 HydrophobicContact CB-CD1 4.48Å; H233-L276 PolarHBondContact CE1-N 2.56Å; H233-L276 VanDerWaalsContact CE1-N 3.35Å; L252-L276 HydrophobicContact CB-CD1 3.9Å; L252-L276 HydrophobicContact CD2-CD1 3.67Å; L252-L276 HydrophobicContact CG-CD1 4.35Å; A255-L276 HydrophobicContact CB-CD1 3.95Å; A255-L276 HydrophobicContact CB-CD2 3.73Å; D256-L276 HydrophobicContact CB-CD2 4.04Å; F259-L276 HydrophobicContact CD2-CD2 3.4Å; F259-L276 HydrophobicContact CE2-CD2 3.77Å; N272-L276 PolarHBondContact O-N 2.93Å; Y273-L276 WeakPolarHBondContact O-CB 3.44Å; Y273-L276 PolarHBondContact O-N 3.22Å; A274-L276 VanDerWaalsContact C-N 3.31Å; A274-L276 PolarHBondContact O-N 3.24Å; L276-L278 PolarHBondContact O-N 2.91Å; L276-D279 PolarHBondContact O-N 3.5Å; L276-I280 HydrophobicContact CD1-CD1 4Å; L276-I280 HydrophobicContact CD1-CG1 4.16Å; L276-I280 HydrophobicContact CG-CD1 3.94Å; L276-I280 WeakPolarHBondContact O-CG1 3.29Å; L276-I280 PolarHBondContact O-N 3.19Å
277Q95.6Very high89.8Confident0 Ų021.2 Ų21.20%012%0.118CC..Hα-helixtrans-57.3-40.6176.9-63.9-41.8-62.200111.6D256 Y273 A274 V275 V281 R299 A303D256-Q277 PolarHBondContact OD1-NE2 3.12Å; Y273-Q277 HydrophobicContact CE1-CG 4.22Å; Y273-Q277 WeakPolarHBondContact O-CG 3.07Å; Y273-Q277 PolarHBondContact O-N 3.35Å; Y273-Q277 PolarHBondContact OH-NE2 3.48Å; A274-Q277 PolarHBondContact O-N 2.76Å; V275-Q277 PolarHBondContact O-N 2.76Å; Q277-V281 WeakPolarHBondContact O-CG2 3.3Å; Q277-V281 PolarHBondContact O-N 3.21Å; Q277-R299 HydrophobicContact CB-CB 4.19Å; Q277-R299 VanDerWaalsContact OE1-CG 3.25Å; Q277-A303 HydrophobicContact CB-CB 4.2Å
278L96.1Very high90Very high0 Ų024 Ų240%013%0.131CC..Hα-helixtrans-65.1-44.3177.9-173.365.5000112A274 V275 L276 V281 W282 L300 F307 L331 R334 L335 L338A274-L278 PolarHBondContact O-N 2.72Å; V275-L278 WeakPolarHBondContact O-CB 3.4Å; V275-L278 PolarHBondContact O-N 3.29Å; L276-L278 PolarHBondContact O-N 2.91Å; L278-V281 PolarHBondContact O-N 2.95Å; L278-W282 PolarHBondContact O-N 2.92Å; L278-L300 HydrophobicContact CD1-CD2 3.84Å; L278-F307 HydrophobicContact CD2-CE2 4.29Å; L278-F307 HydrophobicContact CD2-CZ 4.35Å; L278-L331 HydrophobicContact CD2-CB 4.43Å; L278-L331 HydrophobicContact CD2-CD2 4.41Å; L278-R334 HydrophobicContact CD1-CG 4.16Å; L278-R334 HydrophobicContact CD2-CB 4.12Å; L278-R334 HydrophobicContact CD2-CG 4.15Å; L278-R334 HydrophobicContact CG-CG 4.11Å; L278-L335 HydrophobicContact CD1-CB 4.03Å; L278-L335 HydrophobicContact CD1-CD1 4.37Å; L278-L338 HydrophobicContact CD1-CD1 3.75Å
279D96.9Very high90.2Very high8 Ų821.9 Ų21.94%0.04312%0.116CC..Hα-helixtrans-66.5-37.9179.4-72.1-25.1000112.2H233 M240 L252 V275 L276 V281 W282 C283 R334H233-D279 IonicContact CD2-OD2 2.71Å; H233-D279 IonicContact CE1-OD2 3.71Å; H233-D279 IonicContact NE2-OD2 3.88Å; H233-D279 PolarHBondContact NE2-OD2 2.97Å; M240-D279 HydrophobicContact CE-CB 4.09Å; M240-D279 HydrophobicContact SD-CB 3.94Å; L252-D279 HydrophobicContact CD1-CB 4.05Å; L252-D279 HydrophobicContact CD2-CB 4.39Å; V275-D279 PolarHBondContact O-N 2.89Å; L276-D279 PolarHBondContact O-N 3.5Å; D279-V281 VanDerWaalsContact C-N 3.34Å; D279-V281 PolarHBondContact O-N 2.84Å; D279-W282 WeakPolarHBondContact O-CB 3.33Å; D279-W282 PolarHBondContact O-N 3.41Å; D279-C283 PolarHBondContact O-N 3.43Å; D279-R334 IonicContact OD1-NH1 3.95Å; D279-R334 PolarHBondContact OD1-NH1 3.14Å
280I96.1Very high89.9Confident0 Ų020.8 Ų20.80%011%0.107CC..Hα-helixtrans-59.7-46.2173.4-70.1166.9000110.5L249 L252 L253 D256 L276 W282 C283 Y284L249-I280 HydrophobicContact CD1-CG2 4.04Å; L252-I280 HydrophobicContact CB-CD1 4.41Å; L252-I280 HydrophobicContact CB-CG1 3.68Å; L252-I280 HydrophobicContact CD1-CG1 4.32Å; L253-I280 HydrophobicContact CD2-CD1 4.17Å; L253-I280 HydrophobicContact CD2-CG1 4.49Å; L253-I280 HydrophobicContact CD2-CG2 4.17Å; D256-I280 HydrophobicContact CB-CD1 4.02Å; L276-I280 HydrophobicContact CD1-CD1 4Å; L276-I280 HydrophobicContact CD1-CG1 4.16Å; L276-I280 HydrophobicContact CG-CD1 3.94Å; L276-I280 WeakPolarHBondContact O-CG1 3.29Å; L276-I280 PolarHBondContact O-N 3.19Å; I280-W282 VanDerWaalsContact C-N 3.3Å; I280-W282 PolarHBondContact O-N 3.08Å; I280-C283 WeakPolarHBondContact O-CB 3.33Å; I280-C283 PolarHBondContact O-N 3.28Å; I280-Y284 HydrophobicContact CG2-CD2 4.43Å; I280-Y284 HydrophobicContact CG2-CE1 3.98Å; I280-Y284 HydrophobicContact CG2-CE2 3.84Å; I280-Y284 PolarHBondContact O-N 2.85Å
281V95.9Very high89Confident6 Ų619.4 Ų19.44%0.03610%0.1CC..Hα-helixtrans-68.8-32.7179.9-176.50000111Q277 L278 D279 Y284 R285 R299 L300 L338Q277-V281 WeakPolarHBondContact O-CG2 3.3Å; Q277-V281 PolarHBondContact O-N 3.21Å; L278-V281 PolarHBondContact O-N 2.95Å; D279-V281 VanDerWaalsContact C-N 3.34Å; D279-V281 PolarHBondContact O-N 2.84Å; V281-Y284 WeakPolarHBondContact O-CB 3.48Å; V281-Y284 PolarHBondContact O-N 3.26Å; V281-R285 PolarHBondContact O-N 3.13Å; V281-R299 HydrophobicContact CG2-CB 3.68Å; V281-L300 HydrophobicContact CB-CD2 3.88Å; V281-L300 HydrophobicContact CB-CG 4.35Å; V281-L300 HydrophobicContact CG1-CD1 4.13Å; V281-L300 HydrophobicContact CG1-CD2 3.88Å; V281-L300 HydrophobicContact CG1-CG 3.96Å; V281-L300 HydrophobicContact CG2-CD2 3.82Å; V281-L300 HydrophobicContact CG2-CG 4.02Å; V281-L338 HydrophobicContact CB-CD1 4.07Å; V281-L338 HydrophobicContact CG1-CB 4.35Å; V281-L338 HydrophobicContact CG1-CD1 3.91Å; V281-L338 HydrophobicContact CG1-CD2 4.31Å; V281-L338 HydrophobicContact CG1-CG 4.43Å
282W95.4Very high88.1Confident1 Ų118.3 Ų18.30%0.0049%0.094CC..Hα-helixtrans-61.5-45.3171.3-168.5-97.4000111.7M240 L278 D279 I280 Y284 R285 A286 R334 L337 L338 E583 E584M240-W282 HydrophobicContact CE-CB 3.99Å; M240-W282 VanDerWaalsContact CE-CD1 3.48Å; M240-W282 HydrophobicContact CE-CG 4Å; L278-W282 PolarHBondContact O-N 2.92Å; D279-W282 WeakPolarHBondContact O-CB 3.33Å; D279-W282 PolarHBondContact O-N 3.41Å; I280-W282 VanDerWaalsContact C-N 3.3Å; I280-W282 PolarHBondContact O-N 3.08Å; W282-Y284 PolarHBondContact O-N 3.47Å; W282-R285 WeakPolarHBondContact O-CB 3.43Å; W282-R285 PolarHBondContact O-N 3.28Å; W282-R285 VanDerWaalsContact O-N 3.15Å; W282-A286 PolarHBondContact O-N 2.94Å; W282-R334 HydrophobicContact CD2-CG 4.39Å; W282-R334 HydrophobicContact CE3-CG 3.53Å; W282-R334 HydrophobicContact CH2-CG 4.45Å; W282-R334 HydrophobicContact CZ3-CG 3.6Å; W282-L337 HydrophobicContact CZ3-CD2 4.37Å; W282-L338 HydrophobicContact CE3-CD1 4.06Å; W282-L338 HydrophobicContact CE3-CD2 3.94Å; W282-L338 HydrophobicContact CE3-CG 4.09Å; W282-L338 HydrophobicContact CZ3-CD2 4.49Å; W282-E583 HydrophobicContact CH2-CB 4.43Å; W282-E583 HydrophobicContact CZ2-CB 3.67Å; W282-E583 PolarHBondContact NE1-OE1 3.29Å; W282-E583 VanDerWaalsContact NE1-OE1 3.09Å; W282-E584 HydrophobicContact CH2-CB 4.5Å; W282-E584 HydrophobicContact CH2-CG 3.75Å; W282-E584 VanDerWaalsContact CH2-OE1 3.3Å; W282-E584 WeakPolarHBondContact CH2-OE1 3.45Å; W282-E584 HydrophobicContact CZ3-CG 4.47Å
283C93.7Very high87.3Confident0 Ų017.4 Ų17.40%09%0.089CC..Hα-helixtrans-61-42.2173.5-74.70000111.9L249 D279 I280 R285 A286 L287L249-C283 HydrophobicContact CB-CB 4.13Å; L249-C283 HydrophobicContact CD1-CB 4.08Å; D279-C283 PolarHBondContact O-N 3.43Å; I280-C283 WeakPolarHBondContact O-CB 3.33Å; I280-C283 PolarHBondContact O-N 3.28Å; C283-R285 VanDerWaalsContact C-N 3.27Å; C283-R285 PolarHBondContact O-N 3.32Å; C283-A286 PolarHBondContact O-N 3.35Å; C283-L287 WeakPolarHBondContact O-CB 3.29Å; C283-L287 VanDerWaalsContact O-CG 3.24Å; C283-L287 WeakPolarHBondContact O-CG 3.3Å; C283-L287 PolarHBondContact O-N 2.85Å
284Y91.6Very high86.7Confident10 Ų1020.5 Ų20.54%0.03911%0.108CC..Hα-helixtrans-56.8-43173-68.5-17.2000112.2G133 L249 I280 V281 W282 E288 A289 C292 D295G133-Y284 WeakPolarHBondContact CA-OH 3.43Å; L249-Y284 HydrophobicContact CD1-CD1 4.1Å; L249-Y284 HydrophobicContact CD1-CE1 3.74Å; L249-Y284 HydrophobicContact CD2-CD1 4.05Å; L249-Y284 HydrophobicContact CD2-CE1 3.95Å; L249-Y284 HydrophobicContact CG-CE1 4.49Å; I280-Y284 HydrophobicContact CG2-CD2 4.43Å; I280-Y284 HydrophobicContact CG2-CE1 3.98Å; I280-Y284 HydrophobicContact CG2-CE2 3.84Å; I280-Y284 PolarHBondContact O-N 2.85Å; V281-Y284 WeakPolarHBondContact O-CB 3.48Å; V281-Y284 PolarHBondContact O-N 3.26Å; W282-Y284 PolarHBondContact O-N 3.47Å; Y284-E288 PolarHBondContact O-N 2.88Å; Y284-E288 VanDerWaalsContact O-N 3.1Å; Y284-A289 HydrophobicContact CD1-CB 4.16Å; Y284-A289 HydrophobicContact CG-CB 4.31Å; Y284-A289 WeakPolarHBondContact O-CB 3.43Å; Y284-A289 PolarHBondContact O-N 2.63Å; Y284-C292 HydrophobicContact CD1-CB 4.21Å; Y284-C292 HydrophobicContact CD2-CB 3.61Å; Y284-C292 HydrophobicContact CE1-CB 4.13Å; Y284-C292 HydrophobicContact CE2-CB 3.52Å; Y284-C292 HydrophobicContact CG-CB 3.97Å; Y284-D295 VanDerWaalsContact CE2-OD2 3.23Å; Y284-D295 WeakPolarHBondContact CE2-OD2 3.25Å; Y284-D295 PolarHBondContact OH-OD2 3.36Å
285R91.3Very high86.5Confident44 Ų4421.3 Ų21.317%0.16611%0.112CC..Hα-helixtrans-63.7-49.7176.7-177-87.8-82.3-166.3-14.8111.2V281 W282 C283 L287 E288 L338 L341 E583V281-R285 PolarHBondContact O-N 3.13Å; W282-R285 WeakPolarHBondContact O-CB 3.43Å; W282-R285 PolarHBondContact O-N 3.28Å; W282-R285 VanDerWaalsContact O-N 3.15Å; C283-R285 VanDerWaalsContact C-N 3.27Å; C283-R285 PolarHBondContact O-N 3.32Å; R285-L287 PolarHBondContact O-N 2.92Å; R285-E288 PolarHBondContact O-N 2.99Å; R285-L338 HydrophobicContact CB-CD2 3.9Å; R285-L338 HydrophobicContact CG-CD2 4.2Å; R285-L341 HydrophobicContact CB-CD2 4.37Å; R285-L341 HydrophobicContact CG-CD2 3.47Å; R285-L341 VanDerWaalsContact CG-CD2 3.47Å; R285-E583 PolarHBondContact NH2-O 3.38Å
286A90.3Very high86.3Confident25 Ų2521.2 Ų21.221%0.20711%0.112CC..Hα-helixtrans-61.4-35.6-177.700000112.2Y245 W282 C283 E288Y245-A286 HydrophobicContact CD1-CB 3.6Å; Y245-A286 HydrophobicContact CD2-CB 3.62Å; Y245-A286 HydrophobicContact CE1-CB 3.84Å; Y245-A286 HydrophobicContact CE2-CB 3.86Å; Y245-A286 HydrophobicContact CG-CB 3.48Å; Y245-A286 VanDerWaalsContact CG-CB 3.48Å; W282-A286 PolarHBondContact O-N 2.94Å; C283-A286 PolarHBondContact O-N 3.35Å; A286-E288 VanDerWaalsContact C-N 3.32Å
287L86.4Confident86.1Confident50 Ų5024 Ų2426%0.26212%0.124SC..THydrogen-bonded Turntrans-83.3-3.9176.7-64170.1000113.7L156 D246 L249 C283 R285 A289L156-L287 HydrophobicContact CD1-CD1 3.8Å; L156-L287 HydrophobicContact CD1-CD2 4.21Å; D246-L287 HydrophobicContact CB-CD2 4.35Å; L249-L287 HydrophobicContact CB-CD1 4.32Å; L249-L287 HydrophobicContact CD2-CD1 3.71Å; C283-L287 WeakPolarHBondContact O-CB 3.29Å; C283-L287 VanDerWaalsContact O-CG 3.24Å; C283-L287 WeakPolarHBondContact O-CG 3.3Å; C283-L287 PolarHBondContact O-N 2.85Å; R285-L287 PolarHBondContact O-N 2.92Å; L287-A289 HydrophobicContact CB-CB 4.49Å; L287-A289 PolarHBondContact O-N 3.3Å
288E82.6Confident85.9Confident91 Ų9129 Ų2943%0.42515%0.147SC..THydrogen-bonded Turntrans51.143.5-171.1-63.1179.7-170.100112.6K91 Y284 R285 A286 L290K91-E288 WeakPolarHBondContact CE-OE1 3.41Å; K91-E288 WeakPolarHBondContact CE-OE2 3.49Å; K91-E288 IonicContact NZ-OE1 2.69Å; K91-E288 PolarHBondContact NZ-OE1 3.4Å; K91-E288 IonicContact NZ-OE2 3.4Å; Y284-E288 PolarHBondContact O-N 2.88Å; Y284-E288 VanDerWaalsContact O-N 3.1Å; R285-E288 PolarHBondContact O-N 2.99Å; A286-E288 VanDerWaalsContact C-N 3.32Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 WeakPolarHBondContact O-CG 2.83Å; E288-L290 PolarHBondContact O-N 3.37Å
289A75.8Confident85.9Confident7 Ų729.4 Ų29.46%0.05815%0.149CC..  trans-76.267.4-177.100000112.7M154 Y284 L287 S291 C292M154-A289 HydrophobicContact CE-CB 4.41Å; M154-A289 HydrophobicContact SD-CB 3.27Å; M154-A289 WeakPolarHBondContact SD-CB 3.38Å; Y284-A289 HydrophobicContact CD1-CB 4.16Å; Y284-A289 HydrophobicContact CG-CB 4.31Å; Y284-A289 WeakPolarHBondContact O-CB 3.43Å; Y284-A289 PolarHBondContact O-N 2.63Å; L287-A289 HydrophobicContact CB-CB 4.49Å; L287-A289 PolarHBondContact O-N 3.3Å; A289-S291 PolarHBondContact O-N 2.68Å; A289-S291 VanDerWaalsContact O-N 3.09Å; A289-C292 PolarHBondContact O-N 2.9Å
290L65.7Low85.8Confident44 Ų4429.1 Ų29.123%0.2315%0.148CC..G310 helixtrans-66.2-10.8-172.6-56.1172000115.1M1 M4 E288 C292 L293 L345M1-L290 HydrophobicContact CE-CD2 4.5Å; M1-L290 HydrophobicContact SD-CD2 3.53Å; M1-L290 VanDerWaalsContact SD-CD2 3.53Å; M4-L290 HydrophobicContact SD-CB 3.95Å; M4-L290 HydrophobicContact SD-CD1 3.75Å; M4-L290 HydrophobicContact SD-CD2 4.15Å; M4-L290 HydrophobicContact SD-CG 4.14Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 WeakPolarHBondContact O-CG 2.83Å; E288-L290 PolarHBondContact O-N 3.37Å; L290-C292 VanDerWaalsContact C-N 3.32Å; L290-L293 WeakPolarHBondContact O-CD1 3.35Å; L290-L293 VanDerWaalsContact O-CG 3.31Å; L290-L293 WeakPolarHBondContact O-CG 3.25Å; L290-L345 HydrophobicContact CD2-CD1 4.22Å
291S60.4Low85.7Confident15 Ų1534.8 Ų34.811%0.10517%0.174CC..G310 helixtrans-74.5-27.5172.346.60000112L88 A289 L293L88-S291 VanDerWaalsContact CD1-OG 3.27Å; L88-S291 WeakPolarHBondContact CD1-OG 3.4Å; A289-S291 PolarHBondContact O-N 2.68Å; A289-S291 VanDerWaalsContact O-N 3.09Å; S291-L293 PolarHBondContact O-N 3.22Å
292C69.9Low85.6Confident2 Ų239.9 Ų39.91%0.01419%0.193CC..G310 helixtrans-90.219.5-173-57.10000111.8Y284 A289 L290 D294 D295 G296Y284-C292 HydrophobicContact CD1-CB 4.21Å; Y284-C292 HydrophobicContact CD2-CB 3.61Å; Y284-C292 HydrophobicContact CE1-CB 4.13Å; Y284-C292 HydrophobicContact CE2-CB 3.52Å; Y284-C292 HydrophobicContact CG-CB 3.97Å; A289-C292 PolarHBondContact O-N 2.9Å; L290-C292 VanDerWaalsContact C-N 3.32Å; C292-D294 PolarHBondContact O-N 3.14Å; C292-D295 PolarHBondContact O-N 2.8Å; C292-G296 WeakPolarHBondContact O-CA 3.45Å; C292-G296 PolarHBondContact O-N 2.96Å
293L72.3Confident85.5Confident22 Ų2239.9 Ų39.912%0.11519%0.192CC..Hα-helixtrans-63-43.8-179.1-67.9173.4000112M4 L290 S291 G296 K297 L342 L345M4-L293 HydrophobicContact CE-CD1 3.38Å; M4-L293 HydrophobicContact SD-CD1 4.41Å; L290-L293 WeakPolarHBondContact O-CD1 3.35Å; L290-L293 VanDerWaalsContact O-CG 3.31Å; L290-L293 WeakPolarHBondContact O-CG 3.25Å; S291-L293 PolarHBondContact O-N 3.22Å; L293-G296 PolarHBondContact O-N 2.97Å; L293-K297 VanDerWaalsContact O-CG 3.32Å; L293-K297 WeakPolarHBondContact O-CG 3.35Å; L293-K297 PolarHBondContact O-N 2.92Å; L293-L342 HydrophobicContact CD2-CD2 3.34Å; L293-L345 HydrophobicContact CD1-CB 4.4Å; L293-L345 HydrophobicContact CD1-CD1 4.16Å; L293-L345 HydrophobicContact CD2-CD1 3.37Å; L293-L345 HydrophobicContact CG-CD1 4.42Å
294D80.9Confident85.6Confident102 Ų10241.5 Ų41.555%0.54520%0.2SC..Hα-helixtrans-69.7-41.1-179.2-65.9-33.1000111.5C292 K297 Q298C292-D294 PolarHBondContact O-N 3.14Å; D294-K297 PolarHBondContact O-N 2.9Å; D294-K297 IonicContact OD1-NZ 3.68Å; D294-K297 PolarHBondContact OD1-NZ 2.9Å; D294-Q298 WeakPolarHBondContact O-CG 3.23Å; D294-Q298 PolarHBondContact O-N 2.99Å
295D87.6Confident85.6Confident17 Ų1745.1 Ų45.19%0.09122%0.22CC..Hα-helixtrans-59.7-47.7170.2-178.946.6000110.5G133 Y284 C292 K297 Q298 R299G133-D295 WeakPolarHBondContact CA-OD2 3.33Å; Y284-D295 VanDerWaalsContact CE2-OD2 3.23Å; Y284-D295 WeakPolarHBondContact CE2-OD2 3.25Å; Y284-D295 PolarHBondContact OH-OD2 3.36Å; C292-D295 PolarHBondContact O-N 2.8Å; D295-K297 VanDerWaalsContact C-N 3.33Å; D295-K297 PolarHBondContact O-N 2.81Å; D295-Q298 PolarHBondContact O-N 2.78Å; D295-Q298 VanDerWaalsContact O-N 3.09Å; D295-R299 VanDerWaalsContact CG-NE 3.27Å; D295-R299 VanDerWaalsContact O-CG 3.29Å; D295-R299 WeakPolarHBondContact O-CG 3.37Å; D295-R299 PolarHBondContact O-N 3.32Å; D295-R299 IonicContact OD1-CZ 3.42Å; D295-R299 IonicContact OD1-NE 2.71Å; D295-R299 PolarHBondContact OD1-NE 3.01Å; D295-R299 VanDerWaalsContact OD1-NE 3.1Å; D295-R299 IonicContact OD1-NH2 2.76Å; D295-R299 IonicContact OD2-CZ 3.39Å; D295-R299 IonicContact OD2-NE 3.28Å; D295-R299 PolarHBondContact OD2-NE 2.78Å; D295-R299 IonicContact OD2-NH2 2.61Å
296G91.5Very high85.6Confident1 Ų143.7 Ų43.71%0.0122%0.216CC..Hα-helixtrans-57.8-41.1178.900000113.1C292 L293 R299 L300C292-G296 WeakPolarHBondContact O-CA 3.45Å; C292-G296 PolarHBondContact O-N 2.96Å; L293-G296 PolarHBondContact O-N 2.97Å; G296-R299 PolarHBondContact O-N 3.46Å; G296-L300 WeakPolarHBondContact O-CG 3.5Å; G296-L300 PolarHBondContact O-N 3.47Å
297K91.2Very high85.6Confident60 Ų6042.5 Ų42.526%0.26121%0.207SC..Hα-helixtrans-61-48174.2-71.5170.6-158.51720111.7L293 D294 D295 R299 L300 Q301 L342 D346L293-K297 VanDerWaalsContact O-CG 3.32Å; L293-K297 WeakPolarHBondContact O-CG 3.35Å; L293-K297 PolarHBondContact O-N 2.92Å; D294-K297 PolarHBondContact O-N 2.9Å; D294-K297 IonicContact OD1-NZ 3.68Å; D294-K297 PolarHBondContact OD1-NZ 2.9Å; D295-K297 VanDerWaalsContact C-N 3.33Å; D295-K297 PolarHBondContact O-N 2.81Å; K297-R299 VanDerWaalsContact C-N 3.32Å; K297-R299 PolarHBondContact O-N 2.84Å; K297-L300 PolarHBondContact O-N 3.35Å; K297-Q301 WeakPolarHBondContact O-CB 3.33Å; K297-Q301 PolarHBondContact O-N 3.5Å; K297-L342 HydrophobicContact CB-CD1 4.49Å; K297-L342 HydrophobicContact CG-CD1 3.84Å; K297-D346 VanDerWaalsContact CE-CG 3.46Å; K297-D346 VanDerWaalsContact CE-OD1 3.28Å; K297-D346 WeakPolarHBondContact CE-OD1 3.43Å; K297-D346 WeakPolarHBondContact CE-OD2 3.45Å; K297-D346 IonicContact NZ-OD1 3.66Å; K297-D346 PolarHBondContact NZ-OD1 2.79Å; K297-D346 IonicContact NZ-OD2 3.3Å; K297-D346 PolarHBondContact NZ-OD2 2.8Å
298Q93.3Very high85.8Confident104 Ų10442.8 Ų42.849%0.48621%0.208SC..Hα-helixtrans-62.5-42179.5-67.1178.925.800111.2D294 D295 Q301 R302D294-Q298 WeakPolarHBondContact O-CG 3.23Å; D294-Q298 PolarHBondContact O-N 2.99Å; D295-Q298 PolarHBondContact O-N 2.78Å; D295-Q298 VanDerWaalsContact O-N 3.09Å; Q298-Q301 PolarHBondContact O-N 3.05Å; Q298-R302 WeakPolarHBondContact O-CG 3.29Å; Q298-R302 PolarHBondContact O-N 3.3Å
299R94.6Very high86Confident9 Ų945.2 Ų45.23%0.03422%0.217CC..Hα-helixtrans-63.1-46.8177.1-67.9-175.3179.1-87.33.2112.1D256 Q277 V281 D295 G296 K297 Q301 R302 A303D256-R299 VanDerWaalsContact CG-NH1 3.3Å; D256-R299 IonicContact OD1-NH1 3.26Å; D256-R299 IonicContact OD2-CZ 3.62Å; D256-R299 VanDerWaalsContact OD2-CZ 3.31Å; D256-R299 IonicContact OD2-NH1 2.72Å; D256-R299 PolarHBondContact OD2-NH1 2.93Å; D256-R299 IonicContact OD2-NH2 3.74Å; D256-R299 PolarHBondContact OD2-NH2 3.19Å; Q277-R299 HydrophobicContact CB-CB 4.19Å; Q277-R299 VanDerWaalsContact OE1-CG 3.25Å; V281-R299 HydrophobicContact CG2-CB 3.68Å; D295-R299 VanDerWaalsContact CG-NE 3.27Å; D295-R299 VanDerWaalsContact O-CG 3.29Å; D295-R299 WeakPolarHBondContact O-CG 3.37Å; D295-R299 PolarHBondContact O-N 3.32Å; D295-R299 IonicContact OD1-CZ 3.42Å; D295-R299 IonicContact OD1-NE 2.71Å; D295-R299 PolarHBondContact OD1-NE 3.01Å; D295-R299 VanDerWaalsContact OD1-NE 3.1Å; D295-R299 IonicContact OD1-NH2 2.76Å; D295-R299 IonicContact OD2-CZ 3.39Å; D295-R299 IonicContact OD2-NE 3.28Å; D295-R299 PolarHBondContact OD2-NE 2.78Å; D295-R299 IonicContact OD2-NH2 2.61Å; G296-R299 PolarHBondContact O-N 3.46Å; K297-R299 VanDerWaalsContact C-N 3.32Å; K297-R299 PolarHBondContact O-N 2.84Å; R299-Q301 VanDerWaalsContact C-N 3.32Å; R299-Q301 PolarHBondContact O-N 3.28Å; R299-R302 PolarHBondContact O-N 2.7Å; R299-A303 WeakPolarHBondContact O-CB 3.1Å; R299-A303 PolarHBondContact O-N 3.24Å
300L95.8Very high86.5Confident2 Ų245.3 Ų45.31%0.0122%0.218CC..Hα-helixtrans-65.3-34.7176.5-67.7-173.3000112.7L278 V281 G296 K297 A303 E304 L335 L338 Q339 L342L278-L300 HydrophobicContact CD1-CD2 3.84Å; V281-L300 HydrophobicContact CB-CD2 3.88Å; V281-L300 HydrophobicContact CB-CG 4.35Å; V281-L300 HydrophobicContact CG1-CD1 4.13Å; V281-L300 HydrophobicContact CG1-CD2 3.88Å; V281-L300 HydrophobicContact CG1-CG 3.96Å; V281-L300 HydrophobicContact CG2-CD2 3.82Å; V281-L300 HydrophobicContact CG2-CG 4.02Å; G296-L300 WeakPolarHBondContact O-CG 3.5Å; G296-L300 PolarHBondContact O-N 3.47Å; K297-L300 PolarHBondContact O-N 3.35Å; L300-A303 PolarHBondContact O-N 2.93Å; L300-E304 WeakPolarHBondContact O-CB 3.21Å; L300-E304 PolarHBondContact O-N 3.1Å; L300-L335 HydrophobicContact CB-CD1 4.06Å; L300-L335 HydrophobicContact CD2-CD1 3.94Å; L300-L335 HydrophobicContact CG-CD1 4.47Å; L300-L338 HydrophobicContact CD1-CB 3.63Å; L300-L338 HydrophobicContact CD2-CB 4.13Å; L300-L338 HydrophobicContact CD2-CD1 4.07Å; L300-Q339 HydrophobicContact CB-CG 4.23Å; L300-Q339 HydrophobicContact CD1-CB 4.46Å; L300-Q339 HydrophobicContact CD1-CG 3.71Å; L300-L342 HydrophobicContact CD1-CD1 3.51Å; L300-L342 HydrophobicContact CD1-CG 4.33Å; L300-L342 HydrophobicContact CG-CD1 4.32Å
301Q94.6Very high87.5Confident118 Ų11843.7 Ų43.755%0.55121%0.209SC*.Hα-helixtrans-66.9-45.4175.4-174.71639.200111.4K297 Q298 R299 A303 E304 D305K297-Q301 WeakPolarHBondContact O-CB 3.33Å; K297-Q301 PolarHBondContact O-N 3.5Å; Q298-Q301 PolarHBondContact O-N 3.05Å; R299-Q301 VanDerWaalsContact C-N 3.32Å; R299-Q301 PolarHBondContact O-N 3.28Å; Q301-A303 VanDerWaalsContact C-N 3.27Å; Q301-A303 PolarHBondContact O-N 3.2Å; Q301-E304 PolarHBondContact O-N 2.82Å; Q301-D305 WeakPolarHBondContact O-CB 3.5Å; Q301-D305 VanDerWaalsContact O-CG 3.29Å; Q301-D305 PolarHBondContact O-N 2.79Å
302R92.6Very high88.6Confident114 Ų11443.4 Ų43.443%0.4321%0.208SC..Hα-helixtrans-58.4-40.5173.1-70.4174.9-167.7170.48.3111.9Q298 R299 C306Q298-R302 WeakPolarHBondContact O-CG 3.29Å; Q298-R302 PolarHBondContact O-N 3.3Å; R299-R302 PolarHBondContact O-N 2.7Å; R302-C306 VanDerWaalsContact O-CB 3.23Å; R302-C306 WeakPolarHBondContact O-CB 3.43Å; R302-C306 PolarHBondContact O-N 3.16Å
303A94.6Very high89.1Confident0 Ų051.2 Ų51.20%024%0.244CC..Hα-helixtrans-63.9-47.2176.700000111.7A274 Q277 R299 L300 Q301 C306 F307 L335A274-A303 HydrophobicContact CB-CB 4.32Å; Q277-A303 HydrophobicContact CB-CB 4.2Å; R299-A303 WeakPolarHBondContact O-CB 3.1Å; R299-A303 PolarHBondContact O-N 3.24Å; L300-A303 PolarHBondContact O-N 2.93Å; Q301-A303 VanDerWaalsContact C-N 3.27Å; Q301-A303 PolarHBondContact O-N 3.2Å; A303-C306 PolarHBondContact O-N 3.31Å; A303-F307 HydrophobicContact CB-CE2 4.33Å; A303-F307 WeakPolarHBondContact O-CB 3.32Å; A303-F307 WeakPolarHBondContact O-CD2 3.28Å; A303-F307 VanDerWaalsContact O-CG 3.24Å; A303-F307 WeakPolarHBondContact O-CG 3.35Å; A303-F307 PolarHBondContact O-N 3.04Å; A303-L335 HydrophobicContact CB-CD1 4.47Å
304E94.3Very high89.5Confident35 Ų3558.4 Ų58.416%0.16428%0.277CS..Hα-helixtrans-60.6-49.9177.6-170.3166.8-149.200111.5L300 Q301 C306 F307 L308 L335 Q339 K355L300-E304 WeakPolarHBondContact O-CB 3.21Å; L300-E304 PolarHBondContact O-N 3.1Å; Q301-E304 PolarHBondContact O-N 2.82Å; E304-C306 VanDerWaalsContact C-N 3.27Å; E304-C306 PolarHBondContact O-N 2.61Å; E304-F307 PolarHBondContact O-N 2.95Å; E304-L308 HydrophobicContact CG-CD1 4.02Å; E304-L308 HydrophobicContact CG-CG 4.48Å; E304-L308 WeakPolarHBondContact O-CB 3.22Å; E304-L308 VanDerWaalsContact O-CG 3.27Å; E304-L308 WeakPolarHBondContact O-CG 3.2Å; E304-L308 PolarHBondContact O-N 2.94Å; E304-L335 HydrophobicContact CB-CD1 4.46Å; E304-L335 HydrophobicContact CB-CD2 3.8Å; E304-L335 HydrophobicContact CG-CD2 4.01Å; E304-Q339 PolarHBondContact OE2-NE2 2.92Å; E304-K355 IonicContact OE1-NZ 3.02Å; E304-K355 PolarHBondContact OE1-NZ 3.34Å; E304-K355 IonicContact OE2-NZ 2.85Å
305D92.1Very high89.5Confident86 Ų8654.9 Ų54.946%0.4626%0.258SS..Hα-helixtrans-58.7-40.5179-69.6-20.5000111.8Q301 K309Q301-D305 WeakPolarHBondContact O-CB 3.5Å; Q301-D305 VanDerWaalsContact O-CG 3.29Å; Q301-D305 PolarHBondContact O-N 2.79Å; D305-K309 PolarHBondContact O-N 3.35Å; D305-K309 VanDerWaalsContact O-N 3.15Å
306C91.3Very high89.2Confident13 Ų1358.2 Ų58.29%0.08827%0.272CS..Hα-helixtrans-71.3-44.4178.8-173.30000112A274 R302 A303 E304 L308 K309 C310A274-C306 HydrophobicContact CB-CB 3.65Å; R302-C306 VanDerWaalsContact O-CB 3.23Å; R302-C306 WeakPolarHBondContact O-CB 3.43Å; R302-C306 PolarHBondContact O-N 3.16Å; A303-C306 PolarHBondContact O-N 3.31Å; E304-C306 VanDerWaalsContact C-N 3.27Å; E304-C306 PolarHBondContact O-N 2.61Å; C306-L308 VanDerWaalsContact C-N 3.35Å; C306-L308 PolarHBondContact O-N 3.36Å; C306-K309 PolarHBondContact O-N 2.89Å; C306-C310 WeakPolarHBondContact O-CB 3.46Å; C306-C310 PolarHBondContact O-N 2.86Å; C306-C310 PolarHBondContact O-SG 3.32Å; C306-C310 VanDerWaalsContact SG-SG 3.69Å
307F91.3Very high88.8Confident0 Ų062.4 Ų62.40%029%0.288CS..Hα-helixtrans-61.1-42.4175.8-68.5-27.9000112D271 A274 V275 L278 A303 E304 K309 C310 Y311 L331 F332 L335D271-F307 HydrophobicContact CB-CD1 4.36Å; D271-F307 HydrophobicContact CB-CE1 4.29Å; A274-F307 HydrophobicContact CB-CD1 3.73Å; A274-F307 HydrophobicContact CB-CE1 3.41Å; A274-F307 VanDerWaalsContact CB-CE1 3.41Å; A274-F307 HydrophobicContact CB-CG 4.5Å; A274-F307 HydrophobicContact CB-CZ 3.93Å; V275-F307 HydrophobicContact CG2-CE1 3.94Å; V275-F307 HydrophobicContact CG2-CZ 4.13Å; L278-F307 HydrophobicContact CD2-CE2 4.29Å; L278-F307 HydrophobicContact CD2-CZ 4.35Å; A303-F307 HydrophobicContact CB-CE2 4.33Å; A303-F307 WeakPolarHBondContact O-CB 3.32Å; A303-F307 WeakPolarHBondContact O-CD2 3.28Å; A303-F307 VanDerWaalsContact O-CG 3.24Å; A303-F307 WeakPolarHBondContact O-CG 3.35Å; A303-F307 PolarHBondContact O-N 3.04Å; E304-F307 PolarHBondContact O-N 2.95Å; F307-K309 VanDerWaalsContact C-N 3.32Å; F307-K309 PolarHBondContact O-N 2.97Å; F307-C310 PolarHBondContact O-N 3.41Å; F307-Y311 HydrophobicContact CB-CD2 3.86Å; F307-Y311 HydrophobicContact CB-CE2 3.92Å; F307-Y311 HydrophobicContact CD1-CD2 4.32Å; F307-Y311 AromaticContact CD1-CE2 3.51Å; F307-Y311 HydrophobicContact CD1-CE2 3.51Å; F307-Y311 HydrophobicContact CE1-CE2 4.25Å; F307-Y311 HydrophobicContact CG-CD2 4.33Å; F307-Y311 AromaticContact CG-CE2 3.87Å; F307-Y311 HydrophobicContact CG-CE2 3.87Å; F307-Y311 VanDerWaalsContact O-CB 3.32Å; F307-Y311 WeakPolarHBondContact O-CB 3.4Å; F307-Y311 VanDerWaalsContact O-CD2 3.31Å; F307-Y311 WeakPolarHBondContact O-CD2 3.43Å; F307-Y311 PolarHBondContact O-N 3.12Å; F307-L331 HydrophobicContact CE1-CD1 4.11Å; F307-L331 HydrophobicContact CE2-CB 4.14Å; F307-L331 HydrophobicContact CZ-CB 4.1Å; F307-L331 HydrophobicContact CZ-CD1 4.15Å; F307-F332 HydrophobicContact CB-CE1 4.11Å; F307-F332 HydrophobicContact CB-CE2 4.49Å; F307-F332 HydrophobicContact CB-CZ 3.79Å; F307-L335 HydrophobicContact CD2-CD2 4.01Å; F307-L335 HydrophobicContact CE2-CD2 4.43Å
308L89.9Confident88.3Confident57 Ų5759.9 Ų59.930%0.29828%0.277SS..Hα-helixtrans-63.3-37.5176.9-68.1172000111.9E304 C306 G312E304-L308 HydrophobicContact CG-CD1 4.02Å; E304-L308 HydrophobicContact CG-CG 4.48Å; E304-L308 WeakPolarHBondContact O-CB 3.22Å; E304-L308 VanDerWaalsContact O-CG 3.27Å; E304-L308 WeakPolarHBondContact O-CG 3.2Å; E304-L308 PolarHBondContact O-N 2.94Å; C306-L308 VanDerWaalsContact C-N 3.35Å; C306-L308 PolarHBondContact O-N 3.36Å; L308-G312 CarbonylContact O-C 3.6Å; L308-G312 WeakPolarHBondContact O-CA 3.49Å; L308-G312 PolarHBondContact O-N 3.31Å
309K87.6Confident87.7Confident141 Ų14160.1 Ų60.161%0.61328%0.28SS*.Hα-helixtrans-70.1-43.4173.5-83.2177.7175.4174.20113.3D305 C306 F307 R317D305-K309 PolarHBondContact O-N 3.35Å; D305-K309 VanDerWaalsContact O-N 3.15Å; C306-K309 PolarHBondContact O-N 2.89Å; F307-K309 VanDerWaalsContact C-N 3.32Å; F307-K309 PolarHBondContact O-N 2.97Å; K309-R317 PolarHBondContact O-NH1 2.9Å
310C84.6Confident86.9Confident10 Ų1067.4 Ų67.47%0.06831%0.314CS..Hα-helixtrans-73.2-41.3-175.2-680000111.9C306 F307 R317C306-C310 WeakPolarHBondContact O-CB 3.46Å; C306-C310 PolarHBondContact O-N 2.86Å; C306-C310 PolarHBondContact O-SG 3.32Å; C306-C310 VanDerWaalsContact SG-SG 3.69Å; F307-C310 PolarHBondContact O-N 3.41Å; C310-R317 VanDerWaalsContact O-CD 3.25Å; C310-R317 WeakPolarHBondContact O-CD 3.32Å
311Y86.4Confident86Confident10 Ų1070.9 Ų70.94%0.03933%0.332CS..Hα-helixtrans-99.4-21.8-175.1-51.7-39.7000113.3D271 F307 Q315 Q316 R317 L318 E328 L331 F332D271-Y311 HydrophobicContact CB-CE1 4.22Å; D271-Y311 VanDerWaalsContact CB-OH 3.29Å; D271-Y311 WeakPolarHBondContact CB-OH 3.39Å; D271-Y311 VanDerWaalsContact CG-OH 3.32Å; D271-Y311 PolarHBondContact OD2-OH 3.31Å; F307-Y311 HydrophobicContact CB-CD2 3.86Å; F307-Y311 HydrophobicContact CB-CE2 3.92Å; F307-Y311 HydrophobicContact CD1-CD2 4.32Å; F307-Y311 AromaticContact CD1-CE2 3.51Å; F307-Y311 HydrophobicContact CD1-CE2 3.51Å; F307-Y311 HydrophobicContact CE1-CE2 4.25Å; F307-Y311 HydrophobicContact CG-CD2 4.33Å; F307-Y311 AromaticContact CG-CE2 3.87Å; F307-Y311 HydrophobicContact CG-CE2 3.87Å; F307-Y311 VanDerWaalsContact O-CB 3.32Å; F307-Y311 WeakPolarHBondContact O-CB 3.4Å; F307-Y311 VanDerWaalsContact O-CD2 3.31Å; F307-Y311 WeakPolarHBondContact O-CD2 3.43Å; F307-Y311 PolarHBondContact O-N 3.12Å; Y311-Q315 CarbonylContact O-C 3.51Å; Y311-Q315 WeakPolarHBondContact O-CA 3.29Å; Y311-Q316 PolarHBondContact O-N 2.99Å; Y311-R317 WeakPolarHBondContact O-CA 3.5Å; Y311-R317 WeakPolarHBondContact O-CB 3.41Å; Y311-R317 PolarHBondContact O-N 3.38Å; Y311-L318 HydrophobicContact CD1-CB 4.21Å; Y311-L318 HydrophobicContact CD1-CD1 3.98Å; Y311-L318 HydrophobicContact CD1-CD2 4.25Å; Y311-L318 HydrophobicContact CD1-CG 4.39Å; Y311-L318 HydrophobicContact CE1-CD1 4.28Å; Y311-L318 HydrophobicContact CG-CB 4.49Å; Y311-L318 HydrophobicContact CG-CD2 4.4Å; Y311-L318 PolarHBondContact O-N 3.22Å; Y311-L318 VanDerWaalsContact O-N 3.1Å; Y311-E328 HydrophobicContact CE1-CG 4.27Å; Y311-E328 HydrophobicContact CE2-CB 4.48Å; Y311-L331 HydrophobicContact CE2-CD1 4.42Å; Y311-L331 WeakPolarHBondContact OH-CD1 3.44Å; Y311-F332 AromaticContact CD2-CE2 3.61Å; Y311-F332 HydrophobicContact CD2-CE2 3.61Å; Y311-F332 AromaticContact CD2-CZ 3.84Å; Y311-F332 HydrophobicContact CD2-CZ 3.84Å; Y311-F332 HydrophobicContact CE2-CE2 4.07Å
312G83.7Confident85Confident9 Ų967.7 Ų67.79%0.09332%0.316CS..  trans87.6151.9-168.600000111.5L308 Q314 Q315L308-G312 CarbonylContact O-C 3.6Å; L308-G312 WeakPolarHBondContact O-CA 3.49Å; L308-G312 PolarHBondContact O-N 3.31Å; G312-Q314 PolarHBondContact O-N 2.89Å; G312-Q314 VanDerWaalsContact O-N 3.12Å; G312-Q315 PolarHBondContact O-N 2.87Å
313E81.5Confident84.2Confident166 Ų16664.9 Ų64.978%0.77632%0.323SS*.THydrogen-bonded Turntrans-55.8-31.3-176.7-66-175.2176.200114.4
314Q79.4Confident83.5Confident173 Ų17365.7 Ų65.781%0.80833%0.327SS*.THydrogen-bonded Turntrans-115.325.2176.3-60-177.8-11.800111.3G312 Q316G312-Q314 PolarHBondContact O-N 2.89Å; G312-Q314 VanDerWaalsContact O-N 3.12Å; Q314-Q316 VanDerWaalsContact CA-OE1 3.23Å; Q314-Q316 PolarHBondContact O-N 3.13Å
315Q81.6Confident82.6Confident28 Ų2865 Ų6513%0.13133%0.326CS..SBendtrans58.817.8-176.9-56.8169.2-5.900114Y311 G312 R317 L318 M319 T325Y311-Q315 CarbonylContact O-C 3.51Å; Y311-Q315 WeakPolarHBondContact O-CA 3.29Å; G312-Q315 PolarHBondContact O-N 2.87Å; Q315-R317 VanDerWaalsContact C-N 3.3Å; Q315-R317 PolarHBondContact O-N 3.05Å; Q315-L318 HydrophobicContact CB-CB 4.43Å; Q315-L318 WeakPolarHBondContact O-CB 3.44Å; Q315-L318 PolarHBondContact O-N 2.82Å; Q315-L318 VanDerWaalsContact O-N 3.17Å; Q315-M319 PolarHBondContact O-N 3.08Å; Q315-T325 HydrophobicContact CB-CG2 3.81Å; Q315-T325 WeakPolarHBondContact O-CG2 3.41Å; Q315-T325 VanDerWaalsContact OE1-CB 3.25Å; Q315-T325 PolarHBondContact OE1-OG1 3.3Å
316Q82.3Confident82Confident86 Ų8661 Ų6140%0.40230%0.304SS..Hα-helixtrans-62.6-35.5-175.464.5-82.71900112.8Y311 Q314 Q320Y311-Q316 PolarHBondContact O-N 2.99Å; Q314-Q316 VanDerWaalsContact CA-OE1 3.23Å; Q314-Q316 PolarHBondContact O-N 3.13Å; Q316-Q320 VanDerWaalsContact O-CG 3.26Å; Q316-Q320 WeakPolarHBondContact O-CG 3.36Å; Q316-Q320 PolarHBondContact O-N 2.97Å
317R82.2Confident81.8Confident90 Ų9060.5 Ų60.534%0.3430%0.301SS..Hα-helixtrans-72.6-38.9177.8177.9175.9172.7-154.5-3.9110.3K309 C310 Y311 Q315 M319 Q320 I321K309-R317 PolarHBondContact O-NH1 2.9Å; C310-R317 VanDerWaalsContact O-CD 3.25Å; C310-R317 WeakPolarHBondContact O-CD 3.32Å; Y311-R317 WeakPolarHBondContact O-CA 3.5Å; Y311-R317 WeakPolarHBondContact O-CB 3.41Å; Y311-R317 PolarHBondContact O-N 3.38Å; Q315-R317 VanDerWaalsContact C-N 3.3Å; Q315-R317 PolarHBondContact O-N 3.05Å; R317-M319 VanDerWaalsContact C-N 3.34Å; R317-Q320 PolarHBondContact O-N 3.44Å; R317-I321 HydrophobicContact CG-CD1 3.7Å; R317-I321 HydrophobicContact CG-CG1 4.44Å; R317-I321 VanDerWaalsContact O-CG1 3.26Å; R317-I321 WeakPolarHBondContact O-CG1 3.35Å; R317-I321 PolarHBondContact O-N 3.11Å
318L80.7Confident81.8Confident6 Ų660.5 Ų60.53%0.03130%0.301CS..Hα-helixtrans-61-44.6174.3-177.364.6000111.2Y311 Q315 Q320 I321 K322 T325 E328Y311-L318 HydrophobicContact CD1-CB 4.21Å; Y311-L318 HydrophobicContact CD1-CD1 3.98Å; Y311-L318 HydrophobicContact CD1-CD2 4.25Å; Y311-L318 HydrophobicContact CD1-CG 4.39Å; Y311-L318 HydrophobicContact CE1-CD1 4.28Å; Y311-L318 HydrophobicContact CG-CB 4.49Å; Y311-L318 HydrophobicContact CG-CD2 4.4Å; Y311-L318 PolarHBondContact O-N 3.22Å; Y311-L318 VanDerWaalsContact O-N 3.1Å; Q315-L318 HydrophobicContact CB-CB 4.43Å; Q315-L318 WeakPolarHBondContact O-CB 3.44Å; Q315-L318 PolarHBondContact O-N 2.82Å; Q315-L318 VanDerWaalsContact O-N 3.17Å; L318-Q320 PolarHBondContact O-N 3.05Å; L318-I321 PolarHBondContact O-N 2.98Å; L318-K322 HydrophobicContact CD1-CD 3.83Å; L318-K322 HydrophobicContact CD1-CG 4.11Å; L318-K322 PolarHBondContact O-N 2.68Å; L318-T325 HydrophobicContact CB-CG2 4.21Å; L318-T325 HydrophobicContact CD2-CG2 4.15Å; L318-T325 HydrophobicContact CG-CG2 4.17Å; L318-E328 HydrophobicContact CD1-CG 4.16Å; L318-E328 HydrophobicContact CD2-CB 3.75Å; L318-E328 HydrophobicContact CD2-CG 3.72Å; L318-E328 WeakPolarHBondContact CD2-OE2 3.29Å
319M80.7Confident81.9Confident109 Ų10958.6 Ų58.654%0.53729%0.29SS..Hα-helixtrans-62.1-42.1176.4-141.5-77-88.300111.7Q315 R317 I321 G323 T325Q315-M319 PolarHBondContact O-N 3.08Å; R317-M319 VanDerWaalsContact C-N 3.34Å; M319-I321 VanDerWaalsContact C-N 3.33Å; M319-I321 PolarHBondContact O-N 3.24Å; M319-G323 WeakPolarHBondContact O-CA 3.44Å; M319-G323 PolarHBondContact O-N 3.36Å; M319-T325 HydrophobicContact CB-CG2 3.55Å; M319-T325 HydrophobicContact CG-CG2 3.7Å
320Q79.1Confident82.1Confident163 Ų16351.9 Ų51.976%0.76226%0.261SS*.Hα-helixtrans-63.1-35.1175.1-74.5171.2-0.400113.6Q316 R317 L318Q316-Q320 VanDerWaalsContact O-CG 3.26Å; Q316-Q320 WeakPolarHBondContact O-CG 3.36Å; Q316-Q320 PolarHBondContact O-N 2.97Å; R317-Q320 PolarHBondContact O-N 3.44Å; L318-Q320 PolarHBondContact O-N 3.05Å
321I74.9Confident82.6Confident74 Ų7451.7 Ų51.738%0.37926%0.259SS..Hα-helixtrans-86.1-46.3-175.4-66.8169.5000111.7Q211 R317 L318 M319Q211-I321 HydrophobicContact CG-CG2 4.07Å; R317-I321 HydrophobicContact CG-CD1 3.7Å; R317-I321 HydrophobicContact CG-CG1 4.44Å; R317-I321 VanDerWaalsContact O-CG1 3.26Å; R317-I321 WeakPolarHBondContact O-CG1 3.35Å; R317-I321 PolarHBondContact O-N 3.11Å; L318-I321 PolarHBondContact O-N 2.98Å; M319-I321 VanDerWaalsContact C-N 3.33Å; M319-I321 PolarHBondContact O-N 3.24Å
322K74.5Confident83Confident51 Ų5151.7 Ų51.722%0.22226%0.259CS..Hα-helixtrans-104.4-14.5-172.1-67.6-164.2-178.2-176.90114.2L318 N324 E328 E574L318-K322 HydrophobicContact CD1-CD 3.83Å; L318-K322 HydrophobicContact CD1-CG 4.11Å; L318-K322 PolarHBondContact O-N 2.68Å; K322-N324 PolarHBondContact O-N 3.01Å; K322-E328 WeakPolarHBondContact CD-OE1 3.2Å; K322-E328 WeakPolarHBondContact CE-OE1 3.24Å; K322-E328 IonicContact NZ-OE1 2.68Å; K322-E328 PolarHBondContact NZ-OE1 3.1Å; K322-E574 IonicContact NZ-OE1 2.6Å
323G75.1Confident83.6Confident56 Ų5651.2 Ų51.258%0.57726%0.255SS*.SBendtrans75.20.1-175.400000114.7M319M319-G323 WeakPolarHBondContact O-CA 3.44Å; M319-G323 PolarHBondContact O-N 3.36Å
324N79.8Confident84.3Confident16 Ų1644.3 Ų44.39%0.08622%0.222CC..  trans-149.7163.9175.661.547.9000110K322 R327 A392 H403K322-N324 PolarHBondContact O-N 3.01Å; N324-R327 PolarHBondContact ND2-NH2 3.3Å; N324-R327 VanDerWaalsContact ND2-NH2 3.1Å; N324-R327 PolarHBondContact OD1-NE 3.32Å; N324-R327 PolarHBondContact OD1-NH2 2.89Å; N324-A392 HydrophobicContact CB-CB 4.44Å; N324-H403 PolarHBondContact ND2-NE2 3.15Å; N324-H403 VanDerWaalsContact ND2-NE2 3.18Å
325T76.3Confident85.1Confident21 Ų2136 Ų3613%0.12918%0.183CC..  trans-135.6-7.8-177.862.20000114.7Q315 L318 M319 R327Q315-T325 HydrophobicContact CB-CG2 3.81Å; Q315-T325 WeakPolarHBondContact O-CG2 3.41Å; Q315-T325 VanDerWaalsContact OE1-CB 3.25Å; Q315-T325 PolarHBondContact OE1-OG1 3.3Å; L318-T325 HydrophobicContact CB-CG2 4.21Å; L318-T325 HydrophobicContact CD2-CG2 4.15Å; L318-T325 HydrophobicContact CG-CG2 4.17Å; M319-T325 HydrophobicContact CB-CG2 3.55Å; M319-T325 HydrophobicContact CG-CG2 3.7Å; T325-R327 VanDerWaalsContact C-N 3.33Å; T325-R327 PolarHBondContact O-N 3.31Å
326G80.1Confident85.9Confident1 Ų136 Ų361%0.0118%0.182CC..THydrogen-bonded Turntrans-74.4-13.8-169.800000115.7R391G326-R391 WeakPolarHBondContact CA-O 3.3Å
327R87.4Confident86.6Confident4 Ų432 Ų322%0.01516%0.163CC..THydrogen-bonded Turntrans-78.7-45.5-178-68.6175.3-76.4177.25.5111.2N324 T325 E329 V330 R391 A392 E574 L577N324-R327 PolarHBondContact ND2-NH2 3.3Å; N324-R327 VanDerWaalsContact ND2-NH2 3.1Å; N324-R327 PolarHBondContact OD1-NE 3.32Å; N324-R327 PolarHBondContact OD1-NH2 2.89Å; T325-R327 VanDerWaalsContact C-N 3.33Å; T325-R327 PolarHBondContact O-N 3.31Å; R327-E329 PolarHBondContact O-N 3.48Å; R327-V330 VanDerWaalsContact O-CG2 3.23Å; R327-V330 WeakPolarHBondContact O-CG2 3.39Å; R327-V330 PolarHBondContact O-N 2.86Å; R327-R391 HydrophobicContact CG-CB 4.31Å; R327-A392 HydrophobicContact CG-CB 4.04Å; R327-E574 IonicContact CZ-OE1 2.65Å; R327-E574 VanDerWaalsContact CZ-OE1 3.23Å; R327-E574 IonicContact CZ-OE2 3.51Å; R327-E574 IonicContact NE-OE2 3.28Å; R327-E574 IonicContact NH1-OE1 3.66Å; R327-E574 PolarHBondContact NH1-OE1 2.91Å; R327-E574 IonicContact NH1-OE2 2.74Å; R327-E574 PolarHBondContact NH1-OE2 3.24Å; R327-E574 IonicContact NH2-OE1 3.22Å; R327-L577 HydrophobicContact CB-CD1 4.03Å
328E90.4Very high87.2Confident0 Ų027.8 Ų27.80%015%0.148CC..THydrogen-bonded Turntrans-70.7-14.9-176.2-67.976.4-178.500113Y311 L318 K322 V330 L331 L577Y311-E328 HydrophobicContact CE1-CG 4.27Å; Y311-E328 HydrophobicContact CE2-CB 4.48Å; L318-E328 HydrophobicContact CD1-CG 4.16Å; L318-E328 HydrophobicContact CD2-CB 3.75Å; L318-E328 HydrophobicContact CD2-CG 3.72Å; L318-E328 WeakPolarHBondContact CD2-OE2 3.29Å; K322-E328 WeakPolarHBondContact CD-OE1 3.2Å; K322-E328 WeakPolarHBondContact CE-OE1 3.24Å; K322-E328 IonicContact NZ-OE1 2.68Å; K322-E328 PolarHBondContact NZ-OE1 3.1Å; E328-V330 PolarHBondContact O-N 3.42Å; E328-V330 VanDerWaalsContact O-N 3.14Å; E328-L331 VanDerWaalsContact O-CB 3.3Å; E328-L331 WeakPolarHBondContact O-CB 3.49Å; E328-L331 PolarHBondContact O-N 3.15Å; E328-L577 HydrophobicContact CG-CD1 4.21Å
329E90.8Very high88Confident16 Ų1628.7 Ų28.78%0.07515%0.152CC..Hα-helixtrans-57.4-26.4175.5-65.6-161.8126.800113.2R327 L331 F332 L333 L362 R365 L366R327-E329 PolarHBondContact O-N 3.48Å; E329-L331 PolarHBondContact O-N 3.05Å; E329-F332 PolarHBondContact O-N 2.98Å; E329-L333 PolarHBondContact O-N 3.45Å; E329-L362 HydrophobicContact CB-CD2 3.93Å; E329-L362 HydrophobicContact CG-CD2 4.34Å; E329-R365 IonicContact OE1-CZ 3.43Å; E329-R365 IonicContact OE1-NH1 3.36Å; E329-R365 PolarHBondContact OE1-NH1 2.84Å; E329-R365 IonicContact OE1-NH2 2.85Å; E329-R365 IonicContact OE2-CZ 3.01Å; E329-R365 IonicContact OE2-NH1 2.65Å; E329-R365 PolarHBondContact OE2-NH1 3.35Å; E329-L366 HydrophobicContact CB-CD1 4.02Å; E329-L366 HydrophobicContact CB-CD2 4.06Å; E329-L366 HydrophobicContact CB-CG 4.36Å
330V93.4Very high88.7Confident0 Ų023.5 Ų23.50%013%0.126CC..Hα-helixtrans-60.6-32.5173.5-60.50000112.5R327 E328 L333 R334 L366 L577 L579R327-V330 VanDerWaalsContact O-CG2 3.23Å; R327-V330 WeakPolarHBondContact O-CG2 3.39Å; R327-V330 PolarHBondContact O-N 2.86Å; E328-V330 PolarHBondContact O-N 3.42Å; E328-V330 VanDerWaalsContact O-N 3.14Å; V330-L333 PolarHBondContact O-N 2.95Å; V330-R334 PolarHBondContact O-N 3.46Å; V330-R334 VanDerWaalsContact O-N 3.08Å; V330-L366 HydrophobicContact CB-CD1 4.49Å; V330-L366 HydrophobicContact CG1-CD1 3.94Å; V330-L366 HydrophobicContact CG1-CD2 3.83Å; V330-L366 HydrophobicContact CG1-CG 4.42Å; V330-L577 HydrophobicContact CG2-CB 4.38Å; V330-L577 HydrophobicContact CG2-CD2 4.09Å; V330-L579 HydrophobicContact CB-CD1 4.21Å; V330-L579 HydrophobicContact CG2-CD1 4.36Å
331L94.8Very high89.4Confident6 Ų616.4 Ų16.43%0.0319%0.093CC..Hα-helixtrans-69.4-41.9177.2-57.2176.6000110.7V275 L278 F307 Y311 E328 E329 R334 L335 Y576 L577V275-L331 HydrophobicContact CG2-CD1 4.01Å; V275-L331 HydrophobicContact CG2-CD2 4.29Å; L278-L331 HydrophobicContact CD2-CB 4.43Å; L278-L331 HydrophobicContact CD2-CD2 4.41Å; F307-L331 HydrophobicContact CE1-CD1 4.11Å; F307-L331 HydrophobicContact CE2-CB 4.14Å; F307-L331 HydrophobicContact CZ-CB 4.1Å; F307-L331 HydrophobicContact CZ-CD1 4.15Å; Y311-L331 HydrophobicContact CE2-CD1 4.42Å; Y311-L331 WeakPolarHBondContact OH-CD1 3.44Å; E328-L331 VanDerWaalsContact O-CB 3.3Å; E328-L331 WeakPolarHBondContact O-CB 3.49Å; E328-L331 PolarHBondContact O-N 3.15Å; E329-L331 PolarHBondContact O-N 3.05Å; L331-R334 PolarHBondContact O-N 3.36Å; L331-L335 VanDerWaalsContact O-CB 3.29Å; L331-L335 WeakPolarHBondContact O-CB 3.19Å; L331-L335 PolarHBondContact O-N 3.39Å; L331-Y576 HydrophobicContact CD1-CE2 4.24Å; L331-Y576 HydrophobicContact CD2-CD2 4.38Å; L331-L577 HydrophobicContact CD1-CD2 3.85Å; L331-L577 HydrophobicContact CD2-CD2 4.01Å; L331-L577 HydrophobicContact CG-CD2 3.81Å
332F94.4Very high90.2Very high10 Ų1013.8 Ų13.84%0.0448%0.08CC..Hα-helixtrans-66.7-37.4175.4-74.8-84000112.1F307 Y311 E329 L335 Y336 L362F307-F332 HydrophobicContact CB-CE1 4.11Å; F307-F332 HydrophobicContact CB-CE2 4.49Å; F307-F332 HydrophobicContact CB-CZ 3.79Å; Y311-F332 AromaticContact CD2-CE2 3.61Å; Y311-F332 HydrophobicContact CD2-CE2 3.61Å; Y311-F332 AromaticContact CD2-CZ 3.84Å; Y311-F332 HydrophobicContact CD2-CZ 3.84Å; Y311-F332 HydrophobicContact CE2-CE2 4.07Å; E329-F332 PolarHBondContact O-N 2.98Å; F332-L335 HydrophobicContact CD1-CD2 4.39Å; F332-L335 PolarHBondContact O-N 2.86Å; F332-Y336 HydrophobicContact CB-CD2 4.49Å; F332-Y336 HydrophobicContact CB-CE2 4.19Å; F332-Y336 HydrophobicContact CD1-CE2 4.27Å; F332-Y336 AromaticContact CD1-CZ 3.97Å; F332-Y336 WeakPolarHBondContact O-CB 3.36Å; F332-Y336 WeakPolarHBondContact O-CD2 3.26Å; F332-Y336 VanDerWaalsContact O-CG 3.31Å; F332-Y336 PolarHBondContact O-N 3.48Å; F332-L362 HydrophobicContact CB-CD1 4.07Å
333L95.9Very high91Very high0 Ų011.6 Ų11.60%07%0.071CC..Hα-helixtrans-58.3-51.6174-177.6156.4000110.1E329 V330 L335 Y336 L337 V359 L362 Y363 L366 L581 E584E329-L333 PolarHBondContact O-N 3.45Å; V330-L333 PolarHBondContact O-N 2.95Å; L333-L335 PolarHBondContact O-N 3.14Å; L333-Y336 PolarHBondContact O-N 3.07Å; L333-L337 VanDerWaalsContact O-CB 3.26Å; L333-L337 WeakPolarHBondContact O-CB 3.37Å; L333-L337 PolarHBondContact O-N 3.16Å; L333-V359 HydrophobicContact CD2-CG1 4.47Å; L333-V359 HydrophobicContact CG-CG1 4.23Å; L333-L362 HydrophobicContact CB-CB 4.12Å; L333-L362 HydrophobicContact CB-CD1 4.28Å; L333-L362 HydrophobicContact CD1-CB 4.09Å; L333-L362 HydrophobicContact CG-CB 4.34Å; L333-Y363 HydrophobicContact CD1-CD2 4.13Å; L333-L366 HydrophobicContact CB-CD1 4.14Å; L333-L366 HydrophobicContact CD1-CD1 3.7Å; L333-L581 HydrophobicContact CD1-CD2 4.47Å; L333-E584 HydrophobicContact CD2-CB 3.93Å; L333-E584 HydrophobicContact CD2-CG 3.62Å
334R96.1Very high91.8Very high20 Ų209 Ų98%0.0754%0.044CC..Hα-helixtrans-64.2-41.1178.8-175.6176.4-80.3-176.3-4.1111.8L278 D279 W282 V330 L331 L337 L338 E584L278-R334 HydrophobicContact CD1-CG 4.16Å; L278-R334 HydrophobicContact CD2-CB 4.12Å; L278-R334 HydrophobicContact CD2-CG 4.15Å; L278-R334 HydrophobicContact CG-CG 4.11Å; D279-R334 IonicContact OD1-NH1 3.95Å; D279-R334 PolarHBondContact OD1-NH1 3.14Å; W282-R334 HydrophobicContact CD2-CG 4.39Å; W282-R334 HydrophobicContact CE3-CG 3.53Å; W282-R334 HydrophobicContact CH2-CG 4.45Å; W282-R334 HydrophobicContact CZ3-CG 3.6Å; V330-R334 PolarHBondContact O-N 3.46Å; V330-R334 VanDerWaalsContact O-N 3.08Å; L331-R334 PolarHBondContact O-N 3.36Å; R334-L337 PolarHBondContact O-N 3.2Å; R334-L338 HydrophobicContact CG-CD1 4.21Å; R334-L338 WeakPolarHBondContact O-CG 3.42Å; R334-L338 PolarHBondContact O-N 3.32Å; R334-E584 IonicContact CZ-OE1 3.31Å; R334-E584 VanDerWaalsContact CZ-OE1 3.28Å; R334-E584 IonicContact NE-OE1 3.81Å; R334-E584 PolarHBondContact NE-OE1 3.29Å; R334-E584 IonicContact NH2-OE1 3.02Å; R334-E584 PolarHBondContact NH2-OE1 3.38Å
335L96.6Very high92.2Very high0 Ų08.5 Ų8.50%04%0.041CC..Hα-helixtrans-58-54.8175.317363.3000111.7L278 L300 A303 E304 F307 L331 F332 L333 L337 L338 Q339L278-L335 HydrophobicContact CD1-CB 4.03Å; L278-L335 HydrophobicContact CD1-CD1 4.37Å; L300-L335 HydrophobicContact CB-CD1 4.06Å; L300-L335 HydrophobicContact CD2-CD1 3.94Å; L300-L335 HydrophobicContact CG-CD1 4.47Å; A303-L335 HydrophobicContact CB-CD1 4.47Å; E304-L335 HydrophobicContact CB-CD1 4.46Å; E304-L335 HydrophobicContact CB-CD2 3.8Å; E304-L335 HydrophobicContact CG-CD2 4.01Å; F307-L335 HydrophobicContact CD2-CD2 4.01Å; F307-L335 HydrophobicContact CE2-CD2 4.43Å; L331-L335 VanDerWaalsContact O-CB 3.29Å; L331-L335 WeakPolarHBondContact O-CB 3.19Å; L331-L335 PolarHBondContact O-N 3.39Å; F332-L335 HydrophobicContact CD1-CD2 4.39Å; F332-L335 PolarHBondContact O-N 2.86Å; L333-L335 PolarHBondContact O-N 3.14Å; L335-L337 VanDerWaalsContact C-N 3.29Å; L335-L337 PolarHBondContact O-N 2.92Å; L335-L338 PolarHBondContact O-N 3.19Å; L335-Q339 HydrophobicContact CD1-CG 4.15Å; L335-Q339 WeakPolarHBondContact O-CB 3.38Å; L335-Q339 VanDerWaalsContact O-CG 3.29Å; L335-Q339 WeakPolarHBondContact O-CG 3.02Å; L335-Q339 PolarHBondContact O-N 3.01Å
336Y97.5Very high92.8Very high27 Ų2710.5 Ų10.511%0.1065%0.051CC..Hα-helixtrans-67.5-31-178.2-63.9-29000112.5F332 L333 Q339 S340 K355 R358 V359 L362F332-Y336 HydrophobicContact CB-CD2 4.49Å; F332-Y336 HydrophobicContact CB-CE2 4.19Å; F332-Y336 HydrophobicContact CD1-CE2 4.27Å; F332-Y336 AromaticContact CD1-CZ 3.97Å; F332-Y336 WeakPolarHBondContact O-CB 3.36Å; F332-Y336 WeakPolarHBondContact O-CD2 3.26Å; F332-Y336 VanDerWaalsContact O-CG 3.31Å; F332-Y336 PolarHBondContact O-N 3.48Å; L333-Y336 PolarHBondContact O-N 3.07Å; Y336-Q339 PolarHBondContact O-N 2.92Å; Y336-S340 VanDerWaalsContact O-CB 3.3Å; Y336-S340 WeakPolarHBondContact O-CB 3.44Å; Y336-S340 PolarHBondContact O-N 2.96Å; Y336-K355 HydrophobicContact CD1-CD 3.91Å; Y336-K355 HydrophobicContact CG-CD 4.42Å; Y336-R358 HydrophobicContact CD2-CB 3.84Å; Y336-R358 HydrophobicContact CE2-CB 4.3Å; Y336-R358 HydrophobicContact CG-CB 4.47Å; Y336-V359 VanDerWaalsContact C-CG2 3.44Å; Y336-L362 HydrophobicContact CD2-CD1 3.78Å; Y336-L362 HydrophobicContact CE2-CD1 4.1Å
337L97.3Very high93.2Very high1 Ų111.1 Ų11.11%0.0056%0.057CC..Hα-helixtrans-65.5-46.5174.5-177.756.1000111.3W282 L333 R334 L335 S340 L341 L356 V359 E584 V587 I588W282-L337 HydrophobicContact CZ3-CD2 4.37Å; L333-L337 VanDerWaalsContact O-CB 3.26Å; L333-L337 WeakPolarHBondContact O-CB 3.37Å; L333-L337 PolarHBondContact O-N 3.16Å; R334-L337 PolarHBondContact O-N 3.2Å; L335-L337 VanDerWaalsContact C-N 3.29Å; L335-L337 PolarHBondContact O-N 2.92Å; L337-S340 WeakPolarHBondContact O-CB 3.11Å; L337-S340 PolarHBondContact O-N 3.39Å; L337-L341 PolarHBondContact O-N 3.43Å; L337-L356 HydrophobicContact CD1-CD1 4.49Å; L337-V359 HydrophobicContact CB-CG1 4.25Å; L337-V359 HydrophobicContact CB-CG2 3.91Å; L337-V359 HydrophobicContact CD1-CG1 4.28Å; L337-E584 HydrophobicContact CD2-CB 4.28Å; L337-E584 HydrophobicContact CD2-CG 4.46Å; L337-V587 HydrophobicContact CD1-CG1 4Å; L337-V587 HydrophobicContact CD2-CB 4.16Å; L337-V587 HydrophobicContact CD2-CG1 4.02Å; L337-V587 HydrophobicContact CG-CG1 4.01Å; L337-I588 HydrophobicContact CD1-CG1 3.86Å; L337-I588 HydrophobicContact CD2-CG1 4.04Å
338L96.2Very high93.3Very high3 Ų314 Ų142%0.0167%0.073CC..Hα-helixtrans-66.9-38.8176.1-69171.5000111.8L278 V281 W282 R285 L300 R334 L335 L341 L342L278-L338 HydrophobicContact CD1-CD1 3.75Å; V281-L338 HydrophobicContact CB-CD1 4.07Å; V281-L338 HydrophobicContact CG1-CB 4.35Å; V281-L338 HydrophobicContact CG1-CD1 3.91Å; V281-L338 HydrophobicContact CG1-CD2 4.31Å; V281-L338 HydrophobicContact CG1-CG 4.43Å; W282-L338 HydrophobicContact CE3-CD1 4.06Å; W282-L338 HydrophobicContact CE3-CD2 3.94Å; W282-L338 HydrophobicContact CE3-CG 4.09Å; W282-L338 HydrophobicContact CZ3-CD2 4.49Å; R285-L338 HydrophobicContact CB-CD2 3.9Å; R285-L338 HydrophobicContact CG-CD2 4.2Å; L300-L338 HydrophobicContact CD1-CB 3.63Å; L300-L338 HydrophobicContact CD2-CB 4.13Å; L300-L338 HydrophobicContact CD2-CD1 4.07Å; R334-L338 HydrophobicContact CG-CD1 4.21Å; R334-L338 WeakPolarHBondContact O-CG 3.42Å; R334-L338 PolarHBondContact O-N 3.32Å; L335-L338 PolarHBondContact O-N 3.19Å; L338-L341 WeakPolarHBondContact O-CB 3.12Å; L338-L341 PolarHBondContact O-N 2.87Å; L338-L342 WeakPolarHBondContact O-CG 3.44Å; L338-L342 PolarHBondContact O-N 3.23Å
339Q95.9Very high93.3Very high25 Ų2516.6 Ų16.612%0.1179%0.085CC..Hα-helixtrans-64.3-39.1174.1-72.8-178.7-15.400112.3L300 E304 L335 Y336 L341 L342 A343 K355L300-Q339 HydrophobicContact CB-CG 4.23Å; L300-Q339 HydrophobicContact CD1-CB 4.46Å; L300-Q339 HydrophobicContact CD1-CG 3.71Å; E304-Q339 PolarHBondContact OE2-NE2 2.92Å; L335-Q339 HydrophobicContact CD1-CG 4.15Å; L335-Q339 WeakPolarHBondContact O-CB 3.38Å; L335-Q339 VanDerWaalsContact O-CG 3.29Å; L335-Q339 WeakPolarHBondContact O-CG 3.02Å; L335-Q339 PolarHBondContact O-N 3.01Å; Y336-Q339 PolarHBondContact O-N 2.92Å; Q339-L341 VanDerWaalsContact C-N 3.33Å; Q339-L342 PolarHBondContact O-N 3.02Å; Q339-A343 VanDerWaalsContact O-CB 3.29Å; Q339-A343 WeakPolarHBondContact O-CB 3.31Å; Q339-A343 PolarHBondContact O-N 2.88Å; Q339-K355 HydrophobicContact CB-CD 4.34Å; Q339-K355 HydrophobicContact CB-CG 4.34Å
340S95.7Very high93.3Very high0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-59.8-45.4173.8-1800000110.9Y336 L337 A343 Y344 A352Y336-S340 VanDerWaalsContact O-CB 3.3Å; Y336-S340 WeakPolarHBondContact O-CB 3.44Å; Y336-S340 PolarHBondContact O-N 2.96Å; L337-S340 WeakPolarHBondContact O-CB 3.11Å; L337-S340 PolarHBondContact O-N 3.39Å; S340-A343 PolarHBondContact O-N 2.79Å; S340-Y344 WeakPolarHBondContact O-CB 3.3Å; S340-Y344 PolarHBondContact O-N 2.59Å; S340-A352 WeakPolarHBondContact O-CB 3.44Å; S340-A352 PolarHBondContact OG-O 3.28Å
341L93.4Very high93.4Very high14 Ų1426 Ų267%0.07313%0.129CC..Hα-helixtrans-61.3-47.2176.8-172.264000112.4M1 R285 L337 L338 Q339 Y344 L345 M591M1-L341 HydrophobicContact CE-CD1 3.41Å; M1-L341 VanDerWaalsContact CE-CD1 3.41Å; M1-L341 HydrophobicContact CE-CD2 3.85Å; M1-L341 HydrophobicContact CE-CG 3.74Å; R285-L341 HydrophobicContact CB-CD2 4.37Å; R285-L341 HydrophobicContact CG-CD2 3.47Å; R285-L341 VanDerWaalsContact CG-CD2 3.47Å; L337-L341 PolarHBondContact O-N 3.43Å; L338-L341 WeakPolarHBondContact O-CB 3.12Å; L338-L341 PolarHBondContact O-N 2.87Å; Q339-L341 VanDerWaalsContact C-N 3.33Å; L341-Y344 PolarHBondContact O-N 3.42Å; L341-L345 WeakPolarHBondContact O-CG 3.23Å; L341-L345 PolarHBondContact O-N 2.86Å; L341-M591 HydrophobicContact CD1-SD 4.04Å
342L92Very high93.4Very high18 Ų1825.8 Ų25.89%0.09413%0.128CC..Hα-helixtrans-65.2-43178.6-67.7-175.8000111.9L293 K297 L300 L338 Q339 Y344 L345 D346L293-L342 HydrophobicContact CD2-CD2 3.34Å; K297-L342 HydrophobicContact CB-CD1 4.49Å; K297-L342 HydrophobicContact CG-CD1 3.84Å; L300-L342 HydrophobicContact CD1-CD1 3.51Å; L300-L342 HydrophobicContact CD1-CG 4.33Å; L300-L342 HydrophobicContact CG-CD1 4.32Å; L338-L342 WeakPolarHBondContact O-CG 3.44Å; L338-L342 PolarHBondContact O-N 3.23Å; Q339-L342 PolarHBondContact O-N 3.02Å; L342-Y344 VanDerWaalsContact C-N 3.28Å; L342-Y344 PolarHBondContact O-N 3.02Å; L342-L345 PolarHBondContact O-N 3.44Å; L342-L345 VanDerWaalsContact O-N 3.16Å; L342-D346 PolarHBondContact O-N 2.89Å
343A92.3Very high93.5Very high5 Ų527.9 Ų27.94%0.04114%0.142CC..Hα-helixtrans-60.8-39.1176.300000111.7Q339 S340 D346 G347 N348 Q351 A352Q339-A343 VanDerWaalsContact O-CB 3.29Å; Q339-A343 WeakPolarHBondContact O-CB 3.31Å; Q339-A343 PolarHBondContact O-N 2.88Å; S340-A343 PolarHBondContact O-N 2.79Å; A343-D346 PolarHBondContact O-N 2.88Å; A343-G347 PolarHBondContact O-N 2.99Å; A343-N348 WeakPolarHBondContact O-CA 3.47Å; A343-N348 PolarHBondContact O-N 3.35Å; A343-Q351 HydrophobicContact CB-CB 4.08Å; A343-Q351 HydrophobicContact CB-CG 4.01Å; A343-A352 HydrophobicContact CB-CB 4.01Å
344Y91.8Very high93.5Very high3 Ų332.1 Ų32.11%0.01216%0.162CC..Hα-helixtrans-63.9-46173.5177.6-97.8000111.7H5 S340 L341 L342 D346 G347 M591 Y594 L595H5-Y344 HydrophobicContact CB-CD1 4.13Å; H5-Y344 HydrophobicContact CB-CE1 3.58Å; H5-Y344 HydrophobicContact CB-CE2 4.35Å; H5-Y344 AromaticContact CD2-CE2 3.81Å; H5-Y344 AromaticContact CD2-CZ 3.73Å; H5-Y344 AromaticContact CE1-CD2 3.83Å; H5-Y344 AromaticContact CE1-CE2 3.66Å; H5-Y344 AromaticContact CG-CE1 3.8Å; H5-Y344 AromaticContact CG-CE2 3.65Å; H5-Y344 AromaticContact CG-CZ 3.45Å; H5-Y344 VanDerWaalsContact CG-CZ 3.45Å; H5-Y344 AromaticContact ND1-CD2 3.63Å; H5-Y344 AromaticContact ND1-CE2 3.57Å; H5-Y344 AromaticContact ND1-CG 3.96Å; H5-Y344 AromaticContact ND1-CZ 3.83Å; H5-Y344 PolarHBondContact ND1-O 2.97Å; H5-Y344 AromaticContact NE2-CE2 3.82Å; S340-Y344 WeakPolarHBondContact O-CB 3.3Å; S340-Y344 PolarHBondContact O-N 2.59Å; L341-Y344 PolarHBondContact O-N 3.42Å; L342-Y344 VanDerWaalsContact C-N 3.28Å; L342-Y344 PolarHBondContact O-N 3.02Å; Y344-D346 PolarHBondContact O-N 2.92Å; Y344-G347 PolarHBondContact O-N 2.98Å; Y344-M591 HydrophobicContact CD1-CE 4.46Å; Y344-M591 HydrophobicContact CD2-CE 3.86Å; Y344-M591 HydrophobicContact CG-CE 3.65Å; Y344-Y594 HydrophobicContact CD1-CD2 4.47Å; Y344-Y594 HydrophobicContact CE1-CD2 4.16Å; Y344-Y594 HydrophobicContact CE1-CG 4.12Å; Y344-Y594 PolarHBondContact OH-O 3.4Å; Y344-L595 HydrophobicContact CD2-CD2 3.73Å; Y344-L595 HydrophobicContact CE2-CD2 4.16Å
345L88.1Confident93.5Very high5 Ų532.3 Ų32.33%0.02616%0.163CC..Hα-helixtrans-62.3-28.1177.1-69.2178000113.5M1 M4 A8 L290 L293 L341 L342 G347M1-L345 HydrophobicContact CB-CD2 4.19Å; M1-L345 HydrophobicContact CE-CD1 3.61Å; M1-L345 HydrophobicContact CE-CD2 3.84Å; M1-L345 HydrophobicContact CE-CG 3.99Å; M1-L345 HydrophobicContact SD-CD1 4.08Å; M1-L345 HydrophobicContact SD-CD2 3.68Å; M1-L345 HydrophobicContact SD-CG 4.41Å; M4-L345 HydrophobicContact CB-CD2 4.23Å; A8-L345 WeakPolarHBondContact CB-O 3.26Å; L290-L345 HydrophobicContact CD2-CD1 4.22Å; L293-L345 HydrophobicContact CD1-CB 4.4Å; L293-L345 HydrophobicContact CD1-CD1 4.16Å; L293-L345 HydrophobicContact CD2-CD1 3.37Å; L293-L345 HydrophobicContact CG-CD1 4.42Å; L341-L345 WeakPolarHBondContact O-CG 3.23Å; L341-L345 PolarHBondContact O-N 2.86Å; L342-L345 PolarHBondContact O-N 3.44Å; L342-L345 VanDerWaalsContact O-N 3.16Å; L345-G347 PolarHBondContact O-N 3.42Å
346D87.9Confident93.6Very high62 Ų6232.8 Ų32.833%0.33217%0.165SC..THydrogen-bonded Turntrans-77.5-3.3172.8-80.6-6.6000114.3K297 L342 A343 Y344 N348K297-D346 VanDerWaalsContact CE-CG 3.46Å; K297-D346 VanDerWaalsContact CE-OD1 3.28Å; K297-D346 WeakPolarHBondContact CE-OD1 3.43Å; K297-D346 WeakPolarHBondContact CE-OD2 3.45Å; K297-D346 IonicContact NZ-OD1 3.66Å; K297-D346 PolarHBondContact NZ-OD1 2.79Å; K297-D346 IonicContact NZ-OD2 3.3Å; K297-D346 PolarHBondContact NZ-OD2 2.8Å; L342-D346 PolarHBondContact O-N 2.89Å; A343-D346 PolarHBondContact O-N 2.88Å; Y344-D346 PolarHBondContact O-N 2.92Å; D346-N348 VanDerWaalsContact C-N 3.3Å
347G88.3Confident93.5Very high14 Ų1436.5 Ų36.514%0.14419%0.185CC..THydrogen-bonded Turntrans79.68.3-176.100000114.2A343 Y344 L345 E349A343-G347 PolarHBondContact O-N 2.99Å; Y344-G347 PolarHBondContact O-N 2.98Å; L345-G347 PolarHBondContact O-N 3.42Å; G347-E349 PolarHBondContact O-N 3.34Å
348N90.3Very high93.5Very high65 Ų6542.6 Ų42.635%0.34821%0.208SC..  trans-9278.4177.9-169-10.5000111.2A343 D346 H350 Q351 A352A343-N348 WeakPolarHBondContact O-CA 3.47Å; A343-N348 PolarHBondContact O-N 3.35Å; D346-N348 VanDerWaalsContact C-N 3.3Å; N348-H350 VanDerWaalsContact C-N 3.27Å; N348-H350 PolarHBondContact O-N 2.89Å; N348-Q351 HydrophobicContact CB-CB 4.32Å; N348-Q351 VanDerWaalsContact CG-CB 3.47Å; N348-Q351 WeakPolarHBondContact ND2-CB 3.4Å; N348-Q351 PolarHBondContact ND2-OE1 3.47Å; N348-Q351 VanDerWaalsContact ND2-OE1 3.08Å; N348-Q351 PolarHBondContact O-N 2.83Å; N348-Q351 WeakPolarHBondContact OD1-CB 3.25Å; N348-Q351 PolarHBondContact OD1-N 2.74Å; N348-Q351 VanDerWaalsContact OD1-N 3.14Å; N348-A352 WeakPolarHBondContact O-CB 3.43Å; N348-A352 PolarHBondContact O-N 2.93Å
349E89.9Confident93.5Very high54 Ų5442.5 Ų42.525%0.25221%0.207SC..Hα-helixtrans-61.6-35.3-179-64.3174.9155.600112.7H5 K9 G347 A352 T353 N598H5-E349 VanDerWaalsContact CE1-CG 3.44Å; H5-E349 WeakPolarHBondContact CE1-CG 2.94Å; H5-E349 IonicContact CE1-OE1 3.5Å; H5-E349 PolarHBondContact CE1-OE1 3.44Å; H5-E349 IonicContact NE2-OE1 2.99Å; H5-E349 PolarHBondContact NE2-OE1 2.92Å; K9-E349 IonicContact NZ-OE1 2.78Å; K9-E349 PolarHBondContact NZ-OE1 2.74Å; K9-E349 IonicContact NZ-OE2 3.78Å; K9-E349 PolarHBondContact NZ-OE2 3.33Å; G347-E349 PolarHBondContact O-N 3.34Å; E349-A352 PolarHBondContact O-N 3.18Å; E349-T353 VanDerWaalsContact O-CB 3.31Å; E349-T353 WeakPolarHBondContact O-CB 3.29Å; E349-T353 PolarHBondContact O-N 3.16Å; E349-T353 PolarHBondContact O-OG1 2.89Å; E349-N598 PolarHBondContact OE1-ND2 3.09Å
350H92.1Very high93.5Very high131 Ų13144.9 Ų44.961%0.60622%0.218SC*.Hα-helixtrans-63.5-51.3-179.1-174.766.1000110.9N348 A352 T353 Q354N348-H350 VanDerWaalsContact C-N 3.27Å; N348-H350 PolarHBondContact O-N 2.89Å; H350-A352 VanDerWaalsContact C-N 3.35Å; H350-A352 PolarHBondContact O-N 3.16Å; H350-T353 PolarHBondContact O-N 2.91Å; H350-Q354 PolarHBondContact NE2-NE2 2.89Å; H350-Q354 WeakPolarHBondContact O-CG 3.45Å; H350-Q354 PolarHBondContact O-N 3.47Å
351Q94.4Very high93.5Very high84 Ų8449.2 Ų49.239%0.39324%0.241SC..Hα-helixtrans-64.9-39.8176.4-174.2-17924.200111.7A343 N348 T353 Q354 K355A343-Q351 HydrophobicContact CB-CB 4.08Å; A343-Q351 HydrophobicContact CB-CG 4.01Å; N348-Q351 HydrophobicContact CB-CB 4.32Å; N348-Q351 VanDerWaalsContact CG-CB 3.47Å; N348-Q351 WeakPolarHBondContact ND2-CB 3.4Å; N348-Q351 PolarHBondContact ND2-OE1 3.47Å; N348-Q351 VanDerWaalsContact ND2-OE1 3.08Å; N348-Q351 PolarHBondContact O-N 2.83Å; N348-Q351 WeakPolarHBondContact OD1-CB 3.25Å; N348-Q351 PolarHBondContact OD1-N 2.74Å; N348-Q351 VanDerWaalsContact OD1-N 3.14Å; Q351-T353 VanDerWaalsContact C-N 3.33Å; Q351-T353 PolarHBondContact O-N 3.12Å; Q351-Q354 PolarHBondContact O-N 2.81Å; Q351-K355 HydrophobicContact CG-CG 4.47Å; Q351-K355 WeakPolarHBondContact O-CB 3.27Å; Q351-K355 WeakPolarHBondContact O-CG 3.45Å; Q351-K355 PolarHBondContact O-N 3.18Å
352A95.1Very high93.5Very high0 Ų049 Ų490%024%0.24CC..Hα-helixtrans-58.5-45.6176.100000111.7S340 A343 N348 E349 H350 K355 L356 M591 L595S340-A352 WeakPolarHBondContact O-CB 3.44Å; S340-A352 PolarHBondContact OG-O 3.28Å; A343-A352 HydrophobicContact CB-CB 4.01Å; N348-A352 WeakPolarHBondContact O-CB 3.43Å; N348-A352 PolarHBondContact O-N 2.93Å; E349-A352 PolarHBondContact O-N 3.18Å; H350-A352 VanDerWaalsContact C-N 3.35Å; H350-A352 PolarHBondContact O-N 3.16Å; A352-K355 PolarHBondContact O-N 2.77Å; A352-L356 WeakPolarHBondContact O-CB 3.45Å; A352-L356 PolarHBondContact O-N 2.97Å; A352-M591 HydrophobicContact CB-CE 4.04Å; A352-L595 HydrophobicContact CB-CD2 4.25Å
353T95.8Very high93.7Very high55 Ų5551.2 Ų51.234%0.33725%0.248SC..Hα-helixtrans-67.1-44.3178.4-53.10000111.1E349 H350 Q351 K355 L356 M357E349-T353 VanDerWaalsContact O-CB 3.31Å; E349-T353 WeakPolarHBondContact O-CB 3.29Å; E349-T353 PolarHBondContact O-N 3.16Å; E349-T353 PolarHBondContact O-OG1 2.89Å; H350-T353 PolarHBondContact O-N 2.91Å; Q351-T353 VanDerWaalsContact C-N 3.33Å; Q351-T353 PolarHBondContact O-N 3.12Å; T353-K355 PolarHBondContact O-N 3.44Å; T353-L356 PolarHBondContact O-N 3.37Å; T353-M357 HydrophobicContact CG2-CE 4.16Å; T353-M357 WeakPolarHBondContact O-CG 3.46Å; T353-M357 PolarHBondContact O-N 3.21Å
354Q96.8Very high93.6Very high89 Ų8953.8 Ų53.842%0.41628%0.275SS..Hα-helixtrans-58.5-45.2175.9-76.8-178.9-16.600112.7H350 Q351 M357 R358H350-Q354 PolarHBondContact NE2-NE2 2.89Å; H350-Q354 WeakPolarHBondContact O-CG 3.45Å; H350-Q354 PolarHBondContact O-N 3.47Å; Q351-Q354 PolarHBondContact O-N 2.81Å; Q354-M357 HydrophobicContact CG-CE 4.25Å; Q354-M357 PolarHBondContact O-N 3.14Å; Q354-R358 PolarHBondContact O-N 3.16Å
355K96.9Very high93.5Very high24 Ų2459.3 Ų59.310%0.10430%0.295CS..Hα-helixtrans-68.1-39.2177.3-69-71.9-178166.10111E304 Y336 Q339 Q351 A352 T353 M357 R358 V359E304-K355 IonicContact OE1-NZ 3.02Å; E304-K355 PolarHBondContact OE1-NZ 3.34Å; E304-K355 IonicContact OE2-NZ 2.85Å; Y336-K355 HydrophobicContact CD1-CD 3.91Å; Y336-K355 HydrophobicContact CG-CD 4.42Å; Q339-K355 HydrophobicContact CB-CD 4.34Å; Q339-K355 HydrophobicContact CB-CG 4.34Å; Q351-K355 HydrophobicContact CG-CG 4.47Å; Q351-K355 WeakPolarHBondContact O-CB 3.27Å; Q351-K355 WeakPolarHBondContact O-CG 3.45Å; Q351-K355 PolarHBondContact O-N 3.18Å; A352-K355 PolarHBondContact O-N 2.77Å; T353-K355 PolarHBondContact O-N 3.44Å; K355-M357 PolarHBondContact O-N 3.37Å; K355-R358 WeakPolarHBondContact O-CB 3.28Å; K355-R358 PolarHBondContact O-N 2.65Å; K355-V359 WeakPolarHBondContact O-CG2 3.49Å; K355-V359 PolarHBondContact O-N 3.16Å; K355-V359 VanDerWaalsContact O-N 3.08Å
356L97.1Very high93.7Very high9 Ų959.1 Ų59.15%0.04730%0.295CS..Hα-helixtrans-63.1-40.1176.1-172.762.9000112.4L337 A352 T353 R358 V359 E360 M591 K592 L595L337-L356 HydrophobicContact CD1-CD1 4.49Å; A352-L356 WeakPolarHBondContact O-CB 3.45Å; A352-L356 PolarHBondContact O-N 2.97Å; T353-L356 PolarHBondContact O-N 3.37Å; L356-R358 VanDerWaalsContact C-N 3.28Å; L356-R358 PolarHBondContact O-N 2.67Å; L356-V359 HydrophobicContact CD1-CB 4.4Å; L356-V359 CarbonylContact O-C 3.52Å; L356-V359 WeakPolarHBondContact O-CA 3.43Å; L356-V359 VanDerWaalsContact O-CB 3.32Å; L356-V359 WeakPolarHBondContact O-CB 3.43Å; L356-V359 PolarHBondContact O-N 3.12Å; L356-E360 WeakPolarHBondContact O-CG 3.39Å; L356-E360 PolarHBondContact O-N 3.43Å; L356-M591 HydrophobicContact CD1-CB 4.22Å; L356-M591 HydrophobicContact CD1-CG 4.07Å; L356-M591 HydrophobicContact CD2-CB 4.47Å; L356-M591 HydrophobicContact CD2-CG 4.1Å; L356-K592 HydrophobicContact CD2-CG 4.08Å; L356-L595 HydrophobicContact CB-CD1 4.49Å; L356-L595 HydrophobicContact CD2-CD1 3.64Å
357M96.7Very high93.8Very high105 Ų10559.5 Ų59.552%0.51730%0.301SS..Hα-helixtrans-59.1-39.4175.6-74.5-175.1-74.800112T353 Q354 K355 V359 E360 D361T353-M357 HydrophobicContact CG2-CE 4.16Å; T353-M357 WeakPolarHBondContact O-CG 3.46Å; T353-M357 PolarHBondContact O-N 3.21Å; Q354-M357 HydrophobicContact CG-CE 4.25Å; Q354-M357 PolarHBondContact O-N 3.14Å; K355-M357 PolarHBondContact O-N 3.37Å; M357-V359 VanDerWaalsContact C-N 3.34Å; M357-E360 PolarHBondContact O-N 3.24Å; M357-D361 PolarHBondContact O-N 2.96Å; M357-D361 VanDerWaalsContact O-N 3.12Å
358R96.3Very high93.9Very high130 Ų13060.3 Ų60.349%0.49130%0.302SS..Hα-helixtrans-65.5-38173.6-65-175.9-178.2-167.8-0.1112.2Y336 Q354 K355 L356 E360 L362Y336-R358 HydrophobicContact CD2-CB 3.84Å; Y336-R358 HydrophobicContact CE2-CB 4.3Å; Y336-R358 HydrophobicContact CG-CB 4.47Å; Q354-R358 PolarHBondContact O-N 3.16Å; K355-R358 WeakPolarHBondContact O-CB 3.28Å; K355-R358 PolarHBondContact O-N 2.65Å; L356-R358 VanDerWaalsContact C-N 3.28Å; L356-R358 PolarHBondContact O-N 2.67Å; R358-E360 VanDerWaalsContact C-N 3.35Å; R358-L362 WeakPolarHBondContact O-CB 3.15Å; R358-L362 WeakPolarHBondContact O-CG 3.44Å; R358-L362 PolarHBondContact O-N 3.07Å
359V97.4Very high93.9Very high0 Ų061.3 Ų61.30%031%0.308CS..Hα-helixtrans-63.2-43175.5173.30000110.8L333 Y336 L337 K355 L356 M357 L362 Y363 I588L333-V359 HydrophobicContact CD2-CG1 4.47Å; L333-V359 HydrophobicContact CG-CG1 4.23Å; Y336-V359 VanDerWaalsContact C-CG2 3.44Å; L337-V359 HydrophobicContact CB-CG1 4.25Å; L337-V359 HydrophobicContact CB-CG2 3.91Å; L337-V359 HydrophobicContact CD1-CG1 4.28Å; K355-V359 WeakPolarHBondContact O-CG2 3.49Å; K355-V359 PolarHBondContact O-N 3.16Å; K355-V359 VanDerWaalsContact O-N 3.08Å; L356-V359 HydrophobicContact CD1-CB 4.4Å; L356-V359 CarbonylContact O-C 3.52Å; L356-V359 WeakPolarHBondContact O-CA 3.43Å; L356-V359 VanDerWaalsContact O-CB 3.32Å; L356-V359 WeakPolarHBondContact O-CB 3.43Å; L356-V359 PolarHBondContact O-N 3.12Å; M357-V359 VanDerWaalsContact C-N 3.34Å; V359-L362 PolarHBondContact O-N 2.75Å; V359-Y363 WeakPolarHBondContact O-CB 3.24Å; V359-Y363 PolarHBondContact O-N 3.47Å; V359-I588 HydrophobicContact CG1-CD1 3.57Å; V359-I588 HydrophobicContact CG1-CG1 3.59Å
360E96.2Very high94Very high75 Ų7563.3 Ų63.335%0.3533%0.325SS..Hα-helixtrans-64.7-41.7179.4-69.6179.7121.700112.4L356 M357 R358 Y363 G364 K592L356-E360 WeakPolarHBondContact O-CG 3.39Å; L356-E360 PolarHBondContact O-N 3.43Å; M357-E360 PolarHBondContact O-N 3.24Å; R358-E360 VanDerWaalsContact C-N 3.35Å; E360-Y363 PolarHBondContact O-N 3.22Å; E360-G364 PolarHBondContact O-N 3.33Å; E360-K592 WeakPolarHBondContact OE1-CE 3.42Å; E360-K592 IonicContact OE1-NZ 2.95Å; E360-K592 PolarHBondContact OE1-NZ 2.94Å
361D94.5Very high94.1Very high91 Ų9159.3 Ų59.349%0.48732%0.319SS..Hα-helixtrans-59.3-51.4173.4176.477.6000111.5M357 Y363 G364 R365M357-D361 PolarHBondContact O-N 2.96Å; M357-D361 VanDerWaalsContact O-N 3.12Å; D361-Y363 VanDerWaalsContact C-N 3.33Å; D361-Y363 PolarHBondContact O-N 3.32Å; D361-G364 PolarHBondContact O-N 2.92Å; D361-R365 PolarHBondContact O-N 2.88Å; D361-R365 IonicContact OD2-CZ 2.7Å; D361-R365 IonicContact OD2-NE 2.82Å; D361-R365 PolarHBondContact OD2-NE 2.87Å; D361-R365 IonicContact OD2-NH2 3.1Å; D361-R365 PolarHBondContact OD2-NH2 3.4Å
362L94.1Very high94.2Very high10 Ų1059.5 Ų59.55%0.05232%0.319CS..Hα-helixtrans-60.9-43.1177.2-75.8164.1000111.6E329 F332 L333 Y336 R358 V359 G364 R365 L366E329-L362 HydrophobicContact CB-CD2 3.93Å; E329-L362 HydrophobicContact CG-CD2 4.34Å; F332-L362 HydrophobicContact CB-CD1 4.07Å; L333-L362 HydrophobicContact CB-CB 4.12Å; L333-L362 HydrophobicContact CB-CD1 4.28Å; L333-L362 HydrophobicContact CD1-CB 4.09Å; L333-L362 HydrophobicContact CG-CB 4.34Å; Y336-L362 HydrophobicContact CD2-CD1 3.78Å; Y336-L362 HydrophobicContact CE2-CD1 4.1Å; R358-L362 WeakPolarHBondContact O-CB 3.15Å; R358-L362 WeakPolarHBondContact O-CG 3.44Å; R358-L362 PolarHBondContact O-N 3.07Å; V359-L362 PolarHBondContact O-N 2.75Å; L362-G364 VanDerWaalsContact C-N 3.34Å; L362-G364 PolarHBondContact O-N 3.19Å; L362-R365 PolarHBondContact O-N 3.49Å; L362-L366 HydrophobicContact CB-CD1 4.33Å; L362-L366 VanDerWaalsContact O-CB 3.29Å; L362-L366 WeakPolarHBondContact O-CB 3.48Å; L362-L366 WeakPolarHBondContact O-CD1 3.34Å; L362-L366 VanDerWaalsContact O-CG 3.26Å; L362-L366 WeakPolarHBondContact O-CG 3.33Å; L362-L366 PolarHBondContact O-N 3.46Å
363Y95.3Very high94.2Very high65 Ų6560.2 Ų60.226%0.25532%0.322SS..Hα-helixtrans-62.8-42.2-179.9-174.4-92.5000111.1L333 V359 E360 D361 R365 L366 C367 L581 S585 I588L333-Y363 HydrophobicContact CD1-CD2 4.13Å; V359-Y363 WeakPolarHBondContact O-CB 3.24Å; V359-Y363 PolarHBondContact O-N 3.47Å; E360-Y363 PolarHBondContact O-N 3.22Å; D361-Y363 VanDerWaalsContact C-N 3.33Å; D361-Y363 PolarHBondContact O-N 3.32Å; Y363-R365 VanDerWaalsContact C-N 3.26Å; Y363-R365 PolarHBondContact O-N 3Å; Y363-L366 PolarHBondContact O-N 3.39Å; Y363-C367 HydrophobicContact CE1-CB 4.3Å; Y363-C367 WeakPolarHBondContact O-CB 3.48Å; Y363-C367 PolarHBondContact O-N 3.45Å; Y363-L581 HydrophobicContact CD2-CB 4.49Å; Y363-L581 HydrophobicContact CD2-CD1 4.32Å; Y363-L581 HydrophobicContact CE2-CB 3.92Å; Y363-L581 HydrophobicContact CE2-CD1 4.35Å; Y363-S585 VanDerWaalsContact OH-CB 3.26Å; Y363-S585 WeakPolarHBondContact OH-CB 3.33Å; Y363-I588 HydrophobicContact CD2-CD1 3.47Å; Y363-I588 VanDerWaalsContact CD2-CD1 3.47Å; Y363-I588 HydrophobicContact CE2-CD1 4.06Å; Y363-I588 HydrophobicContact CG-CD1 3.82Å
364G91.7Very high94.2Very high58 Ų5862.1 Ų62.160%0.59833%0.334SS*.Hα-helixtrans-61-33.8175.900000113.3E360 D361 L362E360-G364 PolarHBondContact O-N 3.33Å; D361-G364 PolarHBondContact O-N 2.92Å; L362-G364 VanDerWaalsContact C-N 3.34Å; L362-G364 PolarHBondContact O-N 3.19Å
365R89.3Confident94.2Very high119 Ų11959.7 Ų59.745%0.44933%0.332SS..Hα-helixtrans-81.2-32.6177.5-66.1-175.1-71.4127.5-10.8113.4E329 D361 L362 Y363E329-R365 IonicContact OE1-CZ 3.43Å; E329-R365 IonicContact OE1-NH1 3.36Å; E329-R365 PolarHBondContact OE1-NH1 2.84Å; E329-R365 IonicContact OE1-NH2 2.85Å; E329-R365 IonicContact OE2-CZ 3.01Å; E329-R365 IonicContact OE2-NH1 2.65Å; E329-R365 PolarHBondContact OE2-NH1 3.35Å; D361-R365 PolarHBondContact O-N 2.88Å; D361-R365 IonicContact OD2-CZ 2.7Å; D361-R365 IonicContact OD2-NE 2.82Å; D361-R365 PolarHBondContact OD2-NE 2.87Å; D361-R365 IonicContact OD2-NH2 3.1Å; D361-R365 PolarHBondContact OD2-NH2 3.4Å; L362-R365 PolarHBondContact O-N 3.49Å; Y363-R365 VanDerWaalsContact C-N 3.26Å; Y363-R365 PolarHBondContact O-N 3Å
366L92Very high94.1Very high2 Ų258.5 Ų58.51%0.0133%0.328CS..Hα-helixtrans-91.6-18.4-175.5-70.4167.1000114.2E329 V330 L333 L362 Y363 L368 R391 L581E329-L366 HydrophobicContact CB-CD1 4.02Å; E329-L366 HydrophobicContact CB-CD2 4.06Å; E329-L366 HydrophobicContact CB-CG 4.36Å; V330-L366 HydrophobicContact CB-CD1 4.49Å; V330-L366 HydrophobicContact CG1-CD1 3.94Å; V330-L366 HydrophobicContact CG1-CD2 3.83Å; V330-L366 HydrophobicContact CG1-CG 4.42Å; L333-L366 HydrophobicContact CB-CD1 4.14Å; L333-L366 HydrophobicContact CD1-CD1 3.7Å; L362-L366 HydrophobicContact CB-CD1 4.33Å; L362-L366 VanDerWaalsContact O-CB 3.29Å; L362-L366 WeakPolarHBondContact O-CB 3.48Å; L362-L366 WeakPolarHBondContact O-CD1 3.34Å; L362-L366 VanDerWaalsContact O-CG 3.26Å; L362-L366 WeakPolarHBondContact O-CG 3.33Å; L362-L366 PolarHBondContact O-N 3.46Å; Y363-L366 PolarHBondContact O-N 3.39Å; L366-L368 PolarHBondContact O-N 3.26Å; L366-R391 HydrophobicContact CD2-CG 4.03Å; L366-L581 HydrophobicContact CB-CD1 3.72Å
367C90.8Very high94.1Very high69 Ų6962.1 Ų62.147%0.46635%0.345SS..SBendtrans-71.7115.8170.9-168.10000108.7Y363Y363-C367 HydrophobicContact CE1-CB 4.3Å; Y363-C367 WeakPolarHBondContact O-CB 3.48Å; Y363-C367 PolarHBondContact O-N 3.45Å
368L89.3Confident94.1Very high32 Ų3260.4 Ų60.417%0.16835%0.354CS..  trans-93145.1-173.8-59.4179.6000111.3L366 P370 M373 R387 L390 R391L366-L368 PolarHBondContact O-N 3.26Å; L368-P370 WeakPolarHBondContact O-CD 3.22Å; L368-M373 HydrophobicContact CB-CG 4.18Å; L368-M373 HydrophobicContact CD1-CG 4.35Å; L368-M373 HydrophobicContact CD1-SD 3.71Å; L368-R387 HydrophobicContact CD1-CB 4.18Å; L368-R387 HydrophobicContact CD1-CG 3.56Å; L368-L390 HydrophobicContact CD1-CB 3.91Å; L368-L390 HydrophobicContact CD1-CD1 4.15Å; L368-L390 HydrophobicContact CD2-CB 3.86Å; L368-R391 HydrophobicContact CD1-CG 4.48Å; L368-R391 HydrophobicContact CD2-CG 4.27Å
369D90.3Very high94Very high86 Ų8659.6 Ų59.646%0.4636%0.359SS..  trans-65.9123.4172.5-179.6-87.2000110.5G371 K372 M373D369-G371 PolarHBondContact O-N 3Å; D369-G371 WeakPolarHBondContact OD1-CA 3.17Å; D369-G371 PolarHBondContact OD1-N 3.49Å; D369-K372 HydrophobicContact CB-CB 4.15Å; D369-K372 HydrophobicContact CB-CD 3.97Å; D369-K372 HydrophobicContact CB-CG 3.88Å; D369-K372 PolarHBondContact O-N 3.49Å; D369-K372 PolarHBondContact OD1-N 2.94Å; D369-M373 PolarHBondContact O-N 2.92Å; D369-M373 VanDerWaalsContact O-N 3.1Å
370P92.5Very high93.9Very high95 Ų9562.1 Ų62.162%0.61739%0.385SS*.Hα-helixtrans-60.6-30.3-179.6-25.134.5000113.7L368 T374L368-P370 WeakPolarHBondContact O-CD 3.22Å; P370-T374 WeakPolarHBondContact O-CB 3.39Å; P370-T374 PolarHBondContact O-N 3.35Å; P370-T374 PolarHBondContact O-OG1 2.88Å
371G94.9Very high93.9Very high47 Ų4759.5 Ų59.549%0.48537%0.372SS..Hα-helixtrans-67.4-44176.300000111.8D369 T374 G375D369-G371 PolarHBondContact O-N 3Å; D369-G371 WeakPolarHBondContact OD1-CA 3.17Å; D369-G371 PolarHBondContact OD1-N 3.49Å; G371-T374 PolarHBondContact O-N 3.41Å; G371-G375 PolarHBondContact O-N 2.93Å
372K95Very high93.9Very high88 Ų8857.7 Ų57.738%0.38337%0.367SS..Hα-helixtrans-62.3-41.8174.3-65.6-174.4-178.4-176.90112.4D369 G375 L376 L390 G395 V397D369-K372 HydrophobicContact CB-CB 4.15Å; D369-K372 HydrophobicContact CB-CD 3.97Å; D369-K372 HydrophobicContact CB-CG 3.88Å; D369-K372 PolarHBondContact O-N 3.49Å; D369-K372 PolarHBondContact OD1-N 2.94Å; K372-G375 PolarHBondContact O-N 2.84Å; K372-L376 PolarHBondContact O-N 2.88Å; K372-L376 VanDerWaalsContact O-N 3.16Å; K372-L390 HydrophobicContact CB-CD1 4.06Å; K372-L390 HydrophobicContact CB-CD2 4.43Å; K372-G395 WeakPolarHBondContact CD-O 3.49Å; K372-G395 WeakPolarHBondContact CE-O 3.43Å; K372-G395 PolarHBondContact NZ-O 2.95Å; K372-V397 HydrophobicContact CB-CG2 3.83Å; K372-V397 HydrophobicContact CD-CG2 3.95Å; K372-V397 HydrophobicContact CG-CG2 3.69Å
373M96.1Very high93.9Very high16 Ų1662 Ų628%0.07939%0.386CS..Hα-helixtrans-59.6-50.3173.2-76.9-66.8-64.500111.5L368 D369 G375 L376 M377 E383 A386 R387 L390L368-M373 HydrophobicContact CB-CG 4.18Å; L368-M373 HydrophobicContact CD1-CG 4.35Å; L368-M373 HydrophobicContact CD1-SD 3.71Å; D369-M373 PolarHBondContact O-N 2.92Å; D369-M373 VanDerWaalsContact O-N 3.1Å; M373-G375 VanDerWaalsContact C-N 3.26Å; M373-G375 PolarHBondContact O-N 3.22Å; M373-L376 PolarHBondContact O-N 3.49Å; M373-M377 WeakPolarHBondContact O-CG 3.18Å; M373-M377 PolarHBondContact O-N 3.47Å; M373-E383 HydrophobicContact CE-CG 3.75Å; M373-E383 WeakPolarHBondContact CE-O 2.97Å; M373-A386 HydrophobicContact CE-CB 3.67Å; M373-A386 HydrophobicContact SD-CB 3.76Å; M373-R387 HydrophobicContact CE-CB 4.02Å; M373-R387 HydrophobicContact SD-CB 4.26Å; M373-L390 HydrophobicContact CG-CD1 4.03Å; M373-L390 HydrophobicContact SD-CD1 3.62Å
374T95.6Very high93.8Very high95 Ų9561 Ų6158%0.58338%0.384SS*.Hα-helixtrans-60.2-38.2178.6-54.90000111.4P370 G371 M377 G378P370-T374 WeakPolarHBondContact O-CB 3.39Å; P370-T374 PolarHBondContact O-N 3.35Å; P370-T374 PolarHBondContact O-OG1 2.88Å; G371-T374 PolarHBondContact O-N 3.41Å; T374-M377 PolarHBondContact O-N 3.12Å; T374-G378 PolarHBondContact O-N 3.03Å
375G95.5Very high93.9Very high37 Ų3759.5 Ų59.538%0.38136%0.361SS..Hα-helixtrans-59-49.9175.200000112.9G371 K372 M373 G378 L379G371-G375 PolarHBondContact O-N 2.93Å; K372-G375 PolarHBondContact O-N 2.84Å; M373-G375 VanDerWaalsContact C-N 3.26Å; M373-G375 PolarHBondContact O-N 3.22Å; G375-G378 PolarHBondContact O-N 3.45Å; G375-L379 PolarHBondContact O-N 3.41Å
376L96.7Very high94.2Very high0 Ų053.8 Ų53.80%034%0.34CS..Hα-helixtrans-65.6-39.5176.5-72179.1000112.5K372 M373 G378 L379 F381 A386 L390 V397 A400 A401 I404K372-L376 PolarHBondContact O-N 2.88Å; K372-L376 VanDerWaalsContact O-N 3.16Å; M373-L376 PolarHBondContact O-N 3.49Å; L376-G378 VanDerWaalsContact C-N 3.27Å; L376-G378 PolarHBondContact O-N 3.46Å; L376-L379 HydrophobicContact CD2-CD1 4.24Å; L376-L379 WeakPolarHBondContact O-CB 3.44Å; L376-L379 PolarHBondContact O-N 2.9Å; L376-F381 HydrophobicContact CB-CD2 4.15Å; L376-F381 HydrophobicContact CD2-CD2 4.07Å; L376-F381 HydrophobicContact CD2-CE2 4.24Å; L376-F381 VanDerWaalsContact O-CD2 3.3Å; L376-F381 WeakPolarHBondContact O-CD2 3.5Å; L376-F381 PolarHBondContact O-N 2.84Å; L376-A386 HydrophobicContact CB-CB 3.78Å; L376-A386 HydrophobicContact CD1-CB 4.01Å; L376-L390 HydrophobicContact CD1-CD1 3.88Å; L376-L390 HydrophobicContact CD1-CD2 3.83Å; L376-L390 HydrophobicContact CD1-CG 3.53Å; L376-V397 HydrophobicContact CD2-CG1 3.83Å; L376-V397 HydrophobicContact CG-CG1 4.11Å; L376-A400 HydrophobicContact CD1-CB 3.92Å; L376-A401 HydrophobicContact CD2-CB 3.88Å; L376-I404 HydrophobicContact CD1-CD1 4.19Å
377M96.8Very high94.3Very high85 Ų8555.1 Ų55.142%0.41935%0.345SS..Hα-helixtrans-63.5-35.7175.4-68.71726700111.9M373 T374 L379 G380 F381 E383 A386M373-M377 WeakPolarHBondContact O-CG 3.18Å; M373-M377 PolarHBondContact O-N 3.47Å; T374-M377 PolarHBondContact O-N 3.12Å; M377-L379 PolarHBondContact O-N 3.15Å; M377-G380 PolarHBondContact O-N 3.42Å; M377-F381 WeakPolarHBondContact CA-O 3.43Å; M377-E383 HydrophobicContact CE-CB 4.29Å; M377-E383 HydrophobicContact SD-CB 4.23Å; M377-E383 HydrophobicContact SD-CG 4.25Å; M377-A386 HydrophobicContact CG-CB 4.35Å
378G95.9Very high94.4Very high68 Ų6852.1 Ų52.170%0.70132%0.324SS*.Hα-helixtrans-61.9-23.2172.300000114T374 G375 L376 G380T374-G378 PolarHBondContact O-N 3.03Å; G375-G378 PolarHBondContact O-N 3.45Å; L376-G378 VanDerWaalsContact C-N 3.27Å; L376-G378 PolarHBondContact O-N 3.46Å; G378-G380 VanDerWaalsContact C-N 3.27Å
379L95.1Very high94.6Very high114 Ų11450.7 Ų50.760%0.59732%0.317SS*.THydrogen-bonded Turntrans-82.4-0.2172.3-59.1176.3000113.3G375 L376 M377 F381 A401G375-L379 PolarHBondContact O-N 3.41Å; L376-L379 HydrophobicContact CD2-CD1 4.24Å; L376-L379 WeakPolarHBondContact O-CB 3.44Å; L376-L379 PolarHBondContact O-N 2.9Å; M377-L379 PolarHBondContact O-N 3.15Å; L379-F381 HydrophobicContact CB-CD2 4Å; L379-F381 HydrophobicContact CB-CE2 3.92Å; L379-F381 HydrophobicContact CD1-CE2 4.09Å; L379-A401 HydrophobicContact CD1-CB 4.21Å
380G95.3Very high94.8Very high52 Ų5246.6 Ų46.654%0.53630%0.295SS..THydrogen-bonded Turntrans89.216.6-179.100000114.5M377 G378 R408M377-G380 PolarHBondContact O-N 3.42Å; G378-G380 VanDerWaalsContact C-N 3.27Å; G380-R408 PolarHBondContact O-NH2 3.35Å
381F95.5Very high94.8Very high20 Ų2042.6 Ų42.69%0.08827%0.268CS..  trans-81.8144.1168.5-57.9-55.8000111.1L376 M377 L379 E385 A401 I404L376-F381 HydrophobicContact CB-CD2 4.15Å; L376-F381 HydrophobicContact CD2-CD2 4.07Å; L376-F381 HydrophobicContact CD2-CE2 4.24Å; L376-F381 VanDerWaalsContact O-CD2 3.3Å; L376-F381 WeakPolarHBondContact O-CD2 3.5Å; L376-F381 PolarHBondContact O-N 2.84Å; M377-F381 WeakPolarHBondContact CA-O 3.43Å; L379-F381 HydrophobicContact CB-CD2 4Å; L379-F381 HydrophobicContact CB-CE2 3.92Å; L379-F381 HydrophobicContact CD1-CE2 4.09Å; F381-E385 HydrophobicContact CB-CB 4.36Å; F381-A401 HydrophobicContact CE2-CB 3.97Å; F381-I404 HydrophobicContact CD1-CB 4.2Å; F381-I404 HydrophobicContact CD1-CG2 3.33Å; F381-I404 HydrophobicContact CD2-CD1 4.15Å; F381-I404 HydrophobicContact CE1-CB 4.04Å; F381-I404 HydrophobicContact CE1-CG2 3.46Å; F381-I404 VanDerWaalsContact CE1-CG2 3.46Å; F381-I404 HydrophobicContact CG-CD1 4.17Å; F381-I404 HydrophobicContact CG-CG2 4.02Å; F381-I404 HydrophobicContact CZ-CB 4.31Å; F381-I404 HydrophobicContact CZ-CG2 4.22Å
382S94.3Very high94.7Very high53 Ų5340.7 Ų40.737%0.37125%0.248SC..  trans-67.3160.5171.261.90000111Q384 E385 A386S382-Q384 VanDerWaalsContact C-N 3.3Å; S382-Q384 PolarHBondContact O-N 2.9Å; S382-E385 WeakPolarHBondContact CB-OE2 3.39Å; S382-E385 PolarHBondContact N-OE2 3.44Å; S382-E385 PolarHBondContact O-N 3.14Å; S382-E385 WeakPolarHBondContact OG-CB 3.43Å; S382-E385 VanDerWaalsContact OG-CD 3.27Å; S382-E385 WeakPolarHBondContact OG-CG 3.11Å; S382-E385 PolarHBondContact OG-N 3.37Å; S382-E385 PolarHBondContact OG-OE2 3.3Å; S382-A386 WeakPolarHBondContact O-CB 3.02Å; S382-A386 PolarHBondContact O-N 3.25Å
383E94Very high94.5Very high101 Ų10137.1 Ų37.147%0.47223%0.234SC..Hα-helixtrans-58.7-43176.5-169.4-176.6163.600111.6M373 M377 A386 R387M373-E383 HydrophobicContact CE-CG 3.75Å; M373-E383 WeakPolarHBondContact CE-O 2.97Å; M377-E383 HydrophobicContact CE-CB 4.29Å; M377-E383 HydrophobicContact SD-CB 4.23Å; M377-E383 HydrophobicContact SD-CG 4.25Å; E383-A386 PolarHBondContact O-N 2.85Å; E383-R387 WeakPolarHBondContact O-CB 3.48Å; E383-R387 PolarHBondContact O-N 2.97Å; E383-R387 IonicContact OE1-CZ 2.79Å; E383-R387 IonicContact OE1-NH2 2.59Å; E383-R387 PolarHBondContact OE1-NH2 2.99Å
384Q92.7Very high94.1Very high43 Ų4343.1 Ų43.120%0.20126%0.261CS..Hα-helixtrans-59.1-48176172.3166.480.700112S382 A386 R387 L388 D575 D578S382-Q384 VanDerWaalsContact C-N 3.3Å; S382-Q384 PolarHBondContact O-N 2.9Å; Q384-A386 PolarHBondContact O-N 3.28Å; Q384-R387 PolarHBondContact O-N 3.01Å; Q384-L388 HydrophobicContact CG-CD1 3.98Å; Q384-L388 HydrophobicContact CG-CG 4.49Å; Q384-L388 WeakPolarHBondContact O-CB 3.38Å; Q384-L388 WeakPolarHBondContact O-CG 3.42Å; Q384-L388 PolarHBondContact O-N 2.85Å; Q384-D575 PolarHBondContact NE2-OD1 3.5Å; Q384-D578 VanDerWaalsContact CB-OD2 3.27Å; Q384-D578 WeakPolarHBondContact CB-OD2 3.36Å; Q384-D578 HydrophobicContact CG-CB 4.14Å; Q384-D578 WeakPolarHBondContact CG-OD2 3.16Å; Q384-D578 PolarHBondContact NE2-OD2 3.25Å
385E93.9Very high93.8Very high27 Ų2739.2 Ų39.213%0.12624%0.24CC..Hα-helixtrans-62.9-43.1178.4-74.2166.6135.100111.8F381 S382 R387 G389 I404 R408F381-E385 HydrophobicContact CB-CB 4.36Å; S382-E385 WeakPolarHBondContact CB-OE2 3.39Å; S382-E385 PolarHBondContact N-OE2 3.44Å; S382-E385 PolarHBondContact O-N 3.14Å; S382-E385 WeakPolarHBondContact OG-CB 3.43Å; S382-E385 VanDerWaalsContact OG-CD 3.27Å; S382-E385 WeakPolarHBondContact OG-CG 3.11Å; S382-E385 PolarHBondContact OG-N 3.37Å; S382-E385 PolarHBondContact OG-OE2 3.3Å; E385-R387 VanDerWaalsContact C-N 3.33Å; E385-R387 PolarHBondContact O-N 3.09Å; E385-G389 WeakPolarHBondContact O-CA 3.49Å; E385-G389 PolarHBondContact O-N 2.98Å; E385-I404 HydrophobicContact CB-CD1 4.41Å; E385-I404 HydrophobicContact CB-CG1 4.49Å; E385-I404 HydrophobicContact CB-CG2 3.95Å; E385-I404 HydrophobicContact CG-CG2 4.23Å; E385-I404 VanDerWaalsContact O-CD1 3.3Å; E385-I404 WeakPolarHBondContact O-CD1 3.2Å; E385-R408 IonicContact OE1-CZ 2.97Å; E385-R408 IonicContact OE1-NE 3.94Å; E385-R408 PolarHBondContact OE1-NE 2.88Å; E385-R408 IonicContact OE1-NH2 3.81Å; E385-R408 PolarHBondContact OE1-NH2 3.37Å; E385-R408 IonicContact OE2-CZ 3.69Å; E385-R408 IonicContact OE2-NE 2.67Å; E385-R408 IonicContact OE2-NH2 3.18Å; E385-R408 PolarHBondContact OE2-NH2 2.89Å
386A95.2Very high93.7Very high0 Ų040.3 Ų40.30%024%0.237CC..Hα-helixtrans-60.8-43.7176.500000111M373 L376 M377 S382 E383 Q384 L390M373-A386 HydrophobicContact CE-CB 3.67Å; M373-A386 HydrophobicContact SD-CB 3.76Å; L376-A386 HydrophobicContact CB-CB 3.78Å; L376-A386 HydrophobicContact CD1-CB 4.01Å; M377-A386 HydrophobicContact CG-CB 4.35Å; S382-A386 WeakPolarHBondContact O-CB 3.02Å; S382-A386 PolarHBondContact O-N 3.25Å; E383-A386 PolarHBondContact O-N 2.85Å; Q384-A386 PolarHBondContact O-N 3.28Å; A386-L390 WeakPolarHBondContact O-CB 3.38Å; A386-L390 VanDerWaalsContact O-CG 3.3Å; A386-L390 WeakPolarHBondContact O-CG 3.23Å; A386-L390 PolarHBondContact O-N 3.31Å
387R94.8Very high93.6Very high29 Ų2942.3 Ų42.311%0.10925%0.249CC..Hα-helixtrans-64.3-51.7180-158.1-169.8-46.9-84.5-7.9111.6L368 M373 E383 Q384 E385 R391 D578 L579L368-R387 HydrophobicContact CD1-CB 4.18Å; L368-R387 HydrophobicContact CD1-CG 3.56Å; M373-R387 HydrophobicContact CE-CB 4.02Å; M373-R387 HydrophobicContact SD-CB 4.26Å; E383-R387 WeakPolarHBondContact O-CB 3.48Å; E383-R387 PolarHBondContact O-N 2.97Å; E383-R387 IonicContact OE1-CZ 2.79Å; E383-R387 IonicContact OE1-NH2 2.59Å; E383-R387 PolarHBondContact OE1-NH2 2.99Å; Q384-R387 PolarHBondContact O-N 3.01Å; E385-R387 VanDerWaalsContact C-N 3.33Å; E385-R387 PolarHBondContact O-N 3.09Å; R387-R391 WeakPolarHBondContact O-CG 3.27Å; R387-R391 PolarHBondContact O-N 3.26Å; R387-R391 VanDerWaalsContact O-N 3.09Å; R387-D578 WeakPolarHBondContact CD-OD1 3.4Å; R387-D578 IonicContact NE-OD1 2.76Å; R387-D578 PolarHBondContact NE-OD1 2.86Å; R387-L579 VanDerWaalsContact CD-O 3.26Å; R387-L579 WeakPolarHBondContact CD-O 3.02Å
388L93.2Very high93.5Very high6 Ų644.2 Ų44.23%0.03126%0.261CS..Hα-helixtrans-67.2-39.4-179.2-67.3179.2000111.8Q384 R391 A392 E574 L577 D578Q384-L388 HydrophobicContact CG-CD1 3.98Å; Q384-L388 HydrophobicContact CG-CG 4.49Å; Q384-L388 WeakPolarHBondContact O-CB 3.38Å; Q384-L388 WeakPolarHBondContact O-CG 3.42Å; Q384-L388 PolarHBondContact O-N 2.85Å; L388-R391 PolarHBondContact O-N 3.26Å; L388-A392 WeakPolarHBondContact O-CB 3.42Å; L388-A392 PolarHBondContact O-N 3.23Å; L388-E574 HydrophobicContact CD1-CB 4.23Å; L388-L577 HydrophobicContact CD2-CB 4.12Å; L388-D578 HydrophobicContact CD1-CB 4.44Å; L388-D578 HydrophobicContact CD2-CB 4.2Å; L388-D578 HydrophobicContact CG-CB 4.36Å
389G93.9Very high93.4Very high2 Ų246 Ų462%0.02125%0.251CS..Hα-helixtrans-63.6-47.3177.200000112.3E385 R391 A392 C393E385-G389 WeakPolarHBondContact O-CA 3.49Å; E385-G389 PolarHBondContact O-N 2.98Å; G389-R391 VanDerWaalsContact C-N 3.33Å; G389-R391 PolarHBondContact O-N 2.86Å; G389-A392 PolarHBondContact O-N 2.96Å; G389-C393 PolarHBondContact O-N 3.17Å
390L94.2Very high93.4Very high1 Ų140.6 Ų40.61%0.00522%0.223CC..Hα-helixtrans-64.4-37.4176.5-73.5170.3000112.2L368 K372 M373 L376 A386 C393 H394 G395 V397 A400L368-L390 HydrophobicContact CD1-CB 3.91Å; L368-L390 HydrophobicContact CD1-CD1 4.15Å; L368-L390 HydrophobicContact CD2-CB 3.86Å; K372-L390 HydrophobicContact CB-CD1 4.06Å; K372-L390 HydrophobicContact CB-CD2 4.43Å; M373-L390 HydrophobicContact CG-CD1 4.03Å; M373-L390 HydrophobicContact SD-CD1 3.62Å; L376-L390 HydrophobicContact CD1-CD1 3.88Å; L376-L390 HydrophobicContact CD1-CD2 3.83Å; L376-L390 HydrophobicContact CD1-CG 3.53Å; A386-L390 WeakPolarHBondContact O-CB 3.38Å; A386-L390 VanDerWaalsContact O-CG 3.3Å; A386-L390 WeakPolarHBondContact O-CG 3.23Å; A386-L390 PolarHBondContact O-N 3.31Å; L390-C393 CarbonylContact O-C 3.48Å; L390-C393 PolarHBondContact O-N 3.42Å; L390-H394 PolarHBondContact O-N 3.07Å; L390-G395 PolarHBondContact O-N 3.18Å; L390-V397 HydrophobicContact CD2-CG2 4.32Å; L390-A400 HydrophobicContact CD2-CB 3.93Å; L390-A400 HydrophobicContact CG-CB 4.29Å
391R93.3Very high93.5Very high10 Ų1039 Ų394%0.03820%0.204CC..Hα-helixtrans-64.5-43174.3-75.4177.9178.9155.84.5112.1G326 R327 L366 L368 R387 L388 G389 C393 H394 L577 L579G326-R391 WeakPolarHBondContact CA-O 3.3Å; R327-R391 HydrophobicContact CG-CB 4.31Å; L366-R391 HydrophobicContact CD2-CG 4.03Å; L368-R391 HydrophobicContact CD1-CG 4.48Å; L368-R391 HydrophobicContact CD2-CG 4.27Å; R387-R391 WeakPolarHBondContact O-CG 3.27Å; R387-R391 PolarHBondContact O-N 3.26Å; R387-R391 VanDerWaalsContact O-N 3.09Å; L388-R391 PolarHBondContact O-N 3.26Å; G389-R391 VanDerWaalsContact C-N 3.33Å; G389-R391 PolarHBondContact O-N 2.86Å; R391-C393 VanDerWaalsContact C-N 3.27Å; R391-C393 PolarHBondContact O-N 3.2Å; R391-H394 PolarHBondContact O-N 3.42Å; R391-L577 PolarHBondContact NH1-O 3.09Å; R391-L579 VanDerWaalsContact CZ-O 3.28Å; R391-L579 PolarHBondContact NH1-O 2.98Å; R391-L579 PolarHBondContact NH2-O 3.49Å
392A90.9Very high93.4Very high7 Ų744.2 Ų44.26%0.05823%0.232CC..Hα-helixtrans-62.9-34177.500000112.8N324 R327 L388 G389N324-A392 HydrophobicContact CB-CB 4.44Å; R327-A392 HydrophobicContact CG-CB 4.04Å; L388-A392 WeakPolarHBondContact O-CB 3.42Å; L388-A392 PolarHBondContact O-N 3.23Å; G389-A392 PolarHBondContact O-N 2.96Å
393C91.8Very high93.3Very high14 Ų1443.4 Ų43.410%0.09522%0.223CC..THydrogen-bonded Turntrans-106.923.7-176.6-59.30000113.3G389 L390 R391 G395 N396 E399 A400G389-C393 PolarHBondContact O-N 3.17Å; L390-C393 CarbonylContact O-C 3.48Å; L390-C393 PolarHBondContact O-N 3.42Å; R391-C393 VanDerWaalsContact C-N 3.27Å; R391-C393 PolarHBondContact O-N 3.2Å; C393-G395 PolarHBondContact O-N 3.2Å; C393-N396 WeakPolarHBondContact O-CB 3.48Å; C393-N396 PolarHBondContact O-N 3.11Å; C393-E399 HydrophobicContact CB-CB 3.87Å; C393-E399 VanDerWaalsContact SG-C 3.59Å; C393-A400 HydrophobicContact CB-CB 4.21Å
394H88.5Confident93.3Very high142 Ų14239 Ų3966%0.65720%0.202SC*.THydrogen-bonded Turntrans48.837.5176.2-55.2-49.9000114.8L390 R391L390-H394 PolarHBondContact O-N 3.07Å; R391-H394 PolarHBondContact O-N 3.42Å
395G89.3Confident93.4Very high13 Ų1339.7 Ų39.713%0.13421%0.21CC..THydrogen-bonded Turntrans8010.9177.300000115.3K372 L390 C393K372-G395 WeakPolarHBondContact CD-O 3.49Å; K372-G395 WeakPolarHBondContact CE-O 3.43Å; K372-G395 PolarHBondContact NZ-O 2.95Å; L390-G395 PolarHBondContact O-N 3.18Å; C393-G395 PolarHBondContact O-N 3.2Å
396N92.4Very high93.3Very high60 Ų6043.2 Ų43.232%0.32123%0.226SC..  trans-79.7119170.2-174.3-23.7000110.1C393 D398 E399 A400C393-N396 WeakPolarHBondContact O-CB 3.48Å; C393-N396 PolarHBondContact O-N 3.11Å; N396-D398 PolarHBondContact OD1-N 2.63Å; N396-D398 VanDerWaalsContact OD1-N 3.09Å; N396-E399 HydrophobicContact CB-CB 4.07Å; N396-E399 HydrophobicContact CB-CG 4.35Å; N396-E399 WeakPolarHBondContact ND2-CG 3.38Å; N396-E399 PolarHBondContact ND2-OE1 3.36Å; N396-E399 PolarHBondContact OD1-N 3.18Å; N396-A400 WeakPolarHBondContact O-CB 3.36Å; N396-A400 PolarHBondContact O-N 3.23Å
397V95.1Very high92.9Very high41 Ų4146.7 Ų46.725%0.24824%0.239CC..Hα-helixtrans-69.7-41.4-175-1790000111.6K372 L376 L390 A400 A401K372-V397 HydrophobicContact CB-CG2 3.83Å; K372-V397 HydrophobicContact CD-CG2 3.95Å; K372-V397 HydrophobicContact CG-CG2 3.69Å; L376-V397 HydrophobicContact CD2-CG1 3.83Å; L376-V397 HydrophobicContact CG-CG1 4.11Å; L390-V397 HydrophobicContact CD2-CG2 4.32Å; V397-A400 PolarHBondContact O-N 3.46Å; V397-A401 WeakPolarHBondContact O-CB 3.35Å; V397-A401 PolarHBondContact O-N 3.3Å
398D94.3Very high92.7Very high125 Ų12550 Ų5067%0.66825%0.251SS*.Hα-helixtrans-70.8-45.9-175.6-62.4-38.6000110.8N396 A400 A401 L402N396-D398 PolarHBondContact OD1-N 2.63Å; N396-D398 VanDerWaalsContact OD1-N 3.09Å; D398-A400 VanDerWaalsContact C-N 3.33Å; D398-A400 PolarHBondContact O-N 3.37Å; D398-A401 PolarHBondContact O-N 3.03Å; D398-L402 WeakPolarHBondContact O-CG 3.3Å; D398-L402 PolarHBondContact O-N 3.42Å; D398-L402 VanDerWaalsContact O-N 3.08Å
399E94.1Very high92.6Very high106 Ų10654.8 Ų54.850%0.49527%0.274SS..Hα-helixtrans-63.2-39.5174.1-72.2176.4-168.900111.7C393 N396 L402 H403C393-E399 HydrophobicContact CB-CB 3.87Å; C393-E399 VanDerWaalsContact SG-C 3.59Å; N396-E399 HydrophobicContact CB-CB 4.07Å; N396-E399 HydrophobicContact CB-CG 4.35Å; N396-E399 WeakPolarHBondContact ND2-CG 3.38Å; N396-E399 PolarHBondContact ND2-OE1 3.36Å; N396-E399 PolarHBondContact OD1-N 3.18Å; E399-L402 PolarHBondContact O-N 3.3Å; E399-H403 VanDerWaalsContact O-CB 3.27Å; E399-H403 WeakPolarHBondContact O-CB 3.15Å; E399-H403 PolarHBondContact O-N 3.03Å
400A94.9Very high92.3Very high0 Ų057.4 Ų57.40%029%0.286CS..Hα-helixtrans-62.8-43.8175.900000111.7L376 L390 C393 N396 V397 D398 L402 H403 I404L376-A400 HydrophobicContact CD1-CB 3.92Å; L390-A400 HydrophobicContact CD2-CB 3.93Å; L390-A400 HydrophobicContact CG-CB 4.29Å; C393-A400 HydrophobicContact CB-CB 4.21Å; N396-A400 WeakPolarHBondContact O-CB 3.36Å; N396-A400 PolarHBondContact O-N 3.23Å; V397-A400 PolarHBondContact O-N 3.46Å; D398-A400 VanDerWaalsContact C-N 3.33Å; D398-A400 PolarHBondContact O-N 3.37Å; A400-L402 PolarHBondContact O-N 3.25Å; A400-H403 PolarHBondContact O-N 3.47Å; A400-I404 WeakPolarHBondContact O-CB 3.42Å; A400-I404 WeakPolarHBondContact O-CD1 3.36Å; A400-I404 WeakPolarHBondContact O-CG1 3.31Å; A400-I404 PolarHBondContact O-N 3.39Å
401A96.3Very high91.9Very high18 Ų1860.3 Ų60.315%0.14930%0.296CS..Hα-helixtrans-61.4-43.5177.400000112L376 L379 F381 V397 D398 T405L376-A401 HydrophobicContact CD2-CB 3.88Å; L379-A401 HydrophobicContact CD1-CB 4.21Å; F381-A401 HydrophobicContact CE2-CB 3.97Å; V397-A401 WeakPolarHBondContact O-CB 3.35Å; V397-A401 PolarHBondContact O-N 3.3Å; D398-A401 PolarHBondContact O-N 3.03Å; A401-T405 WeakPolarHBondContact O-CB 3.29Å; A401-T405 PolarHBondContact O-N 3.46Å; A401-T405 PolarHBondContact O-OG1 2.79Å
402L94.8Very high91.7Very high130 Ų13064.6 Ų64.668%0.68132%0.317SS*.Hα-helixtrans-63.5-47.1174.7-70.6173.2000111.5D398 E399 A400 T405 H406D398-L402 WeakPolarHBondContact O-CG 3.3Å; D398-L402 PolarHBondContact O-N 3.42Å; D398-L402 VanDerWaalsContact O-N 3.08Å; E399-L402 PolarHBondContact O-N 3.3Å; A400-L402 PolarHBondContact O-N 3.25Å; L402-T405 PolarHBondContact O-N 3.05Å; L402-H406 WeakPolarHBondContact O-CB 3.14Å; L402-H406 PolarHBondContact O-N 2.6Å
403H92.4Very high91.6Very high37 Ų3769.8 Ų69.817%0.17134%0.34CS..Hα-helixtrans-61.1-46.6179.2177.3-92.7000111.7N324 E399 A400 T405 H406 R407N324-H403 PolarHBondContact ND2-NE2 3.15Å; N324-H403 VanDerWaalsContact ND2-NE2 3.18Å; E399-H403 VanDerWaalsContact O-CB 3.27Å; E399-H403 WeakPolarHBondContact O-CB 3.15Å; E399-H403 PolarHBondContact O-N 3.03Å; A400-H403 PolarHBondContact O-N 3.47Å; H403-T405 VanDerWaalsContact C-N 3.32Å; H403-T405 PolarHBondContact O-N 3.02Å; H403-H406 PolarHBondContact O-N 3.47Å; H403-R407 WeakPolarHBondContact O-CB 3.15Å; H403-R407 VanDerWaalsContact O-CG 3.31Å; H403-R407 WeakPolarHBondContact O-CG 3.36Å; H403-R407 PolarHBondContact O-N 3.47Å
404I93.8Very high91.2Very high8 Ų872.3 Ų72.34%0.04135%0.351CS..Hα-helixtrans-61.4-42.8177.7-64.1160.2000110.4L376 F381 E385 A400 R407 R408L376-I404 HydrophobicContact CD1-CD1 4.19Å; F381-I404 HydrophobicContact CD1-CB 4.2Å; F381-I404 HydrophobicContact CD1-CG2 3.33Å; F381-I404 HydrophobicContact CD2-CD1 4.15Å; F381-I404 HydrophobicContact CE1-CB 4.04Å; F381-I404 HydrophobicContact CE1-CG2 3.46Å; F381-I404 VanDerWaalsContact CE1-CG2 3.46Å; F381-I404 HydrophobicContact CG-CD1 4.17Å; F381-I404 HydrophobicContact CG-CG2 4.02Å; F381-I404 HydrophobicContact CZ-CB 4.31Å; F381-I404 HydrophobicContact CZ-CG2 4.22Å; E385-I404 HydrophobicContact CB-CD1 4.41Å; E385-I404 HydrophobicContact CB-CG1 4.49Å; E385-I404 HydrophobicContact CB-CG2 3.95Å; E385-I404 HydrophobicContact CG-CG2 4.23Å; E385-I404 VanDerWaalsContact O-CD1 3.3Å; E385-I404 WeakPolarHBondContact O-CD1 3.2Å; A400-I404 WeakPolarHBondContact O-CB 3.42Å; A400-I404 WeakPolarHBondContact O-CD1 3.36Å; A400-I404 WeakPolarHBondContact O-CG1 3.31Å; A400-I404 PolarHBondContact O-N 3.39Å; I404-R407 PolarHBondContact O-N 2.68Å; I404-R408 WeakPolarHBondContact O-CG 3.19Å; I404-R408 PolarHBondContact O-N 2.71Å
405T94.3Very high91Very high58 Ų5869.9 Ų69.936%0.35634%0.339SS..Hα-helixtrans-63.1-46.2179.2-560000111.5A401 L402 H403 R407 R408 Q409A401-T405 WeakPolarHBondContact O-CB 3.29Å; A401-T405 PolarHBondContact O-N 3.46Å; A401-T405 PolarHBondContact O-OG1 2.79Å; L402-T405 PolarHBondContact O-N 3.05Å; H403-T405 VanDerWaalsContact C-N 3.32Å; H403-T405 PolarHBondContact O-N 3.02Å; T405-R407 VanDerWaalsContact C-N 3.34Å; T405-R407 PolarHBondContact O-N 2.98Å; T405-R408 PolarHBondContact O-N 3.37Å; T405-Q409 WeakPolarHBondContact O-CG 3.48Å; T405-Q409 PolarHBondContact O-N 2.7Å; T405-Q409 VanDerWaalsContact O-N 3.08Å
406H91.4Very high90.9Very high100 Ų10073.1 Ų73.146%0.46335%0.35SS..Hα-helixtrans-60.5-44175.7-171.4-94.1000111.4L402 H403 R408 Q409 E410L402-H406 WeakPolarHBondContact O-CB 3.14Å; L402-H406 PolarHBondContact O-N 2.6Å; H403-H406 PolarHBondContact O-N 3.47Å; H406-R408 VanDerWaalsContact C-N 3.34Å; H406-R408 PolarHBondContact O-N 3.27Å; H406-Q409 WeakPolarHBondContact O-CB 3.44Å; H406-Q409 PolarHBondContact O-N 3.27Å; H406-Q409 VanDerWaalsContact O-N 3.15Å; H406-E410 IonicContact CE1-OE1 3.31Å; H406-E410 PolarHBondContact CE1-OE1 2.93Å; H406-E410 IonicContact ND1-OE1 3.79Å; H406-E410 PolarHBondContact ND1-OE1 2.85Å; H406-E410 WeakPolarHBondContact O-CG 3.49Å; H406-E410 PolarHBondContact O-N 3.47Å
407R88.3Confident90.6Very high73 Ų7375.3 Ų75.328%0.27536%0.358SS..Hα-helixtrans-63-36.6176.6-73-53.8-168.1166.62.2113.4H403 I404 T405 Q409 E410 R411H403-R407 WeakPolarHBondContact O-CB 3.15Å; H403-R407 VanDerWaalsContact O-CG 3.31Å; H403-R407 WeakPolarHBondContact O-CG 3.36Å; H403-R407 PolarHBondContact O-N 3.47Å; I404-R407 PolarHBondContact O-N 2.68Å; T405-R407 VanDerWaalsContact C-N 3.34Å; T405-R407 PolarHBondContact O-N 2.98Å; R407-Q409 VanDerWaalsContact C-N 3.35Å; R407-E410 WeakPolarHBondContact CD-OE2 3.26Å; R407-E410 IonicContact CZ-OE2 2.86Å; R407-E410 IonicContact NE-OE2 2.72Å; R407-E410 IonicContact NH1-OE2 3.72Å; R407-E410 PolarHBondContact NH1-OE2 2.88Å; R407-R411 VanDerWaalsContact O-CB 3.29Å; R407-R411 WeakPolarHBondContact O-CB 3.4Å; R407-R411 PolarHBondContact O-N 3.39Å
408R90.1Very high89.9Confident98 Ų9876.9 Ų76.937%0.3736%0.363SS..Hα-helixtrans-62.6-43.3172.6-77.3179.9173.1-173.5-2.7111.2G380 E385 I404 T405 H406 R411 E412G380-R408 PolarHBondContact O-NH2 3.35Å; E385-R408 IonicContact OE1-CZ 2.97Å; E385-R408 IonicContact OE1-NE 3.94Å; E385-R408 PolarHBondContact OE1-NE 2.88Å; E385-R408 IonicContact OE1-NH2 3.81Å; E385-R408 PolarHBondContact OE1-NH2 3.37Å; E385-R408 IonicContact OE2-CZ 3.69Å; E385-R408 IonicContact OE2-NE 2.67Å; E385-R408 IonicContact OE2-NH2 3.18Å; E385-R408 PolarHBondContact OE2-NH2 2.89Å; I404-R408 WeakPolarHBondContact O-CG 3.19Å; I404-R408 PolarHBondContact O-N 2.71Å; T405-R408 PolarHBondContact O-N 3.37Å; H406-R408 VanDerWaalsContact C-N 3.34Å; H406-R408 PolarHBondContact O-N 3.27Å; R408-R411 PolarHBondContact O-N 3.43Å; R408-E412 WeakPolarHBondContact O-CB 3.38Å; R408-E412 PolarHBondContact O-N 3.4Å
409Q90.8Very high89.3Confident108 Ų10877.3 Ų77.351%0.50536%0.356SS..Hα-helixtrans-63.7-52.4177.4-70.3173.2-11.700111.5T405 H406 R407 R411 E412 E413T405-Q409 WeakPolarHBondContact O-CG 3.48Å; T405-Q409 PolarHBondContact O-N 2.7Å; T405-Q409 VanDerWaalsContact O-N 3.08Å; H406-Q409 WeakPolarHBondContact O-CB 3.44Å; H406-Q409 PolarHBondContact O-N 3.27Å; H406-Q409 VanDerWaalsContact O-N 3.15Å; R407-Q409 VanDerWaalsContact C-N 3.35Å; Q409-R411 PolarHBondContact O-N 2.61Å; Q409-E412 PolarHBondContact O-N 3.34Å; Q409-E412 VanDerWaalsContact O-N 3.07Å; Q409-E413 WeakPolarHBondContact O-CG 3.46Å; Q409-E413 PolarHBondContact O-N 3.39Å
410E87.5Confident88.8Confident57 Ų5776.2 Ų76.227%0.26635%0.35SS..Hα-helixtrans-53.4-43.3176-72.8-178157.500111.6H406 R407 E413 M414H406-E410 IonicContact CE1-OE1 3.31Å; H406-E410 PolarHBondContact CE1-OE1 2.93Å; H406-E410 IonicContact ND1-OE1 3.79Å; H406-E410 PolarHBondContact ND1-OE1 2.85Å; H406-E410 WeakPolarHBondContact O-CG 3.49Å; H406-E410 PolarHBondContact O-N 3.47Å; R407-E410 WeakPolarHBondContact CD-OE2 3.26Å; R407-E410 IonicContact CZ-OE2 2.86Å; R407-E410 IonicContact NE-OE2 2.72Å; R407-E410 IonicContact NH1-OE2 3.72Å; R407-E410 PolarHBondContact NH1-OE2 2.88Å; E410-E413 PolarHBondContact O-N 3.1Å; E410-M414 HydrophobicContact CB-CE 4.48Å; E410-M414 WeakPolarHBondContact O-CB 3.5Å; E410-M414 VanDerWaalsContact O-CG 3.28Å; E410-M414 WeakPolarHBondContact O-CG 2.96Å; E410-M414 PolarHBondContact O-N 3.47Å
411R85.3Confident88Confident62 Ų6280.9 Ų80.923%0.23437%0.371CS..Hα-helixtrans-66.2-41.6178.8-177.9179.3-70.7152.10.9112.4R407 R408 Q409 M414 K415 H572R407-R411 VanDerWaalsContact O-CB 3.29Å; R407-R411 WeakPolarHBondContact O-CB 3.4Å; R407-R411 PolarHBondContact O-N 3.39Å; R408-R411 PolarHBondContact O-N 3.43Å; Q409-R411 PolarHBondContact O-N 2.61Å; R411-M414 PolarHBondContact O-N 3.31Å; R411-K415 HydrophobicContact CG-CD 4.29Å; R411-K415 WeakPolarHBondContact O-CB 3Å; R411-K415 VanDerWaalsContact O-CG 3.26Å; R411-K415 WeakPolarHBondContact O-CG 3.08Å; R411-K415 PolarHBondContact O-N 3.22Å; R411-H572 PolarHBondContact NH1-CD2 2.88Å; R411-H572 PolarHBondContact NH2-CD2 2.92Å; R411-H572 PolarHBondContact NH2-CE1 3.36Å; R411-H572 PolarHBondContact NH2-NE2 3.22Å
412E88.8Confident87.1Confident99 Ų9983.9 Ų83.946%0.46338%0.378SS..Hα-helixtrans-67.7-39.5178.3-161.464-159.200110.9R408 Q409 K415 Q416R408-E412 WeakPolarHBondContact O-CB 3.38Å; R408-E412 PolarHBondContact O-N 3.4Å; Q409-E412 PolarHBondContact O-N 3.34Å; Q409-E412 VanDerWaalsContact O-N 3.07Å; E412-K415 PolarHBondContact O-N 3.28Å; E412-Q416 VanDerWaalsContact O-CB 3.3Å; E412-Q416 WeakPolarHBondContact O-CB 3.47Å; E412-Q416 PolarHBondContact O-N 3.28Å
413E89.5Confident86.3Confident117 Ų11782.9 Ų82.955%0.54737%0.371SS..Hα-helixtrans-61.7-47.1173.2-72.2176.2-172.300111.8Q409 E410 K415 Q416 Q417Q409-E413 WeakPolarHBondContact O-CG 3.46Å; Q409-E413 PolarHBondContact O-N 3.39Å; E410-E413 PolarHBondContact O-N 3.1Å; E413-K415 PolarHBondContact O-N 3.04Å; E413-Q416 PolarHBondContact O-N 3Å; E413-Q417 WeakPolarHBondContact O-CB 3.17Å; E413-Q417 VanDerWaalsContact O-CG 3.29Å; E413-Q417 WeakPolarHBondContact O-CG 3.23Å; E413-Q417 PolarHBondContact O-N 3.41Å
414M84.3Confident85.8Confident67 Ų6788.5 Ų88.533%0.3339%0.391SS..Hα-helixtrans-60.3-46.2176.1-75.3-173.7-67.500111.4E410 R411 Q416 Q417 E418E410-M414 HydrophobicContact CB-CE 4.48Å; E410-M414 WeakPolarHBondContact O-CB 3.5Å; E410-M414 VanDerWaalsContact O-CG 3.28Å; E410-M414 WeakPolarHBondContact O-CG 2.96Å; E410-M414 PolarHBondContact O-N 3.47Å; R411-M414 PolarHBondContact O-N 3.31Å; M414-Q416 VanDerWaalsContact C-N 3.3Å; M414-Q416 PolarHBondContact O-N 3.41Å; M414-Q417 PolarHBondContact O-N 3.37Å; M414-E418 VanDerWaalsContact O-CB 3.3Å; M414-E418 WeakPolarHBondContact O-CB 3Å; M414-E418 PolarHBondContact O-N 3.09Å
415K84Confident85Confident90 Ų9091.1 Ų91.139%0.39140%0.4SS..Hα-helixtrans-59.9-40.9175.7-76.4173.6179.9177.90111.9R411 E412 E413 R419R411-K415 HydrophobicContact CG-CD 4.29Å; R411-K415 WeakPolarHBondContact O-CB 3Å; R411-K415 VanDerWaalsContact O-CG 3.26Å; R411-K415 WeakPolarHBondContact O-CG 3.08Å; R411-K415 PolarHBondContact O-N 3.22Å; E412-K415 PolarHBondContact O-N 3.28Å; E413-K415 PolarHBondContact O-N 3.04Å; K415-R419 WeakPolarHBondContact O-CB 3.19Å; K415-R419 WeakPolarHBondContact O-CG 3.27Å; K415-R419 PolarHBondContact O-N 2.96Å
416Q87.4Confident84.3Confident82 Ų8291.9 Ų91.938%0.38340%0.401SS..Hα-helixtrans-68.2-46.2179.4-176.358.525.500111.4E412 E413 M414 E418 R419 E420E412-Q416 VanDerWaalsContact O-CB 3.3Å; E412-Q416 WeakPolarHBondContact O-CB 3.47Å; E412-Q416 PolarHBondContact O-N 3.28Å; E413-Q416 PolarHBondContact O-N 3Å; M414-Q416 VanDerWaalsContact C-N 3.3Å; M414-Q416 PolarHBondContact O-N 3.41Å; Q416-E418 VanDerWaalsContact C-N 3.3Å; Q416-E418 PolarHBondContact O-N 3.03Å; Q416-R419 WeakPolarHBondContact O-CB 3.41Å; Q416-R419 PolarHBondContact O-N 3.31Å; Q416-E420 PolarHBondContact NE2-OE1 2.87Å; Q416-E420 WeakPolarHBondContact O-CG 3.32Å; Q416-E420 PolarHBondContact O-N 3.5Å
417Q84.5Confident84Confident105 Ų10592.6 Ų92.649%0.49140%0.404SS..Hα-helixtrans-60.3-40.7175.2-72176.717.300111.9E413 M414 E420 K421E413-Q417 WeakPolarHBondContact O-CB 3.17Å; E413-Q417 VanDerWaalsContact O-CG 3.29Å; E413-Q417 WeakPolarHBondContact O-CG 3.23Å; E413-Q417 PolarHBondContact O-N 3.41Å; M414-Q417 PolarHBondContact O-N 3.37Å; Q417-E420 PolarHBondContact O-N 3.44Å; Q417-K421 WeakPolarHBondContact O-CB 2.92Å; Q417-K421 VanDerWaalsContact O-CG 3.31Å; Q417-K421 WeakPolarHBondContact O-CG 3.25Å; Q417-K421 PolarHBondContact O-N 2.99Å
418E80.8Confident83.9Confident75 Ų7589.3 Ų89.335%0.3539%0.393SS..Hα-helixtrans-66.6-43.8177.2-164.5-172.4-175.400111.5M414 Q416 E420 K421 R422M414-E418 VanDerWaalsContact O-CB 3.3Å; M414-E418 WeakPolarHBondContact O-CB 3Å; M414-E418 PolarHBondContact O-N 3.09Å; Q416-E418 VanDerWaalsContact C-N 3.3Å; Q416-E418 PolarHBondContact O-N 3.03Å; E418-E420 VanDerWaalsContact C-N 3.33Å; E418-E420 PolarHBondContact O-N 2.89Å; E418-K421 PolarHBondContact O-N 3.43Å; E418-R422 VanDerWaalsContact CD-NH2 3.28Å; E418-R422 WeakPolarHBondContact O-CB 3.2Å; E418-R422 WeakPolarHBondContact O-CD 3.4Å; E418-R422 WeakPolarHBondContact O-CG 3.49Å; E418-R422 PolarHBondContact O-N 3.03Å; E418-R422 IonicContact OE1-CZ 3.19Å; E418-R422 VanDerWaalsContact OE1-CZ 3.31Å; E418-R422 IonicContact OE1-NE 2.71Å; E418-R422 PolarHBondContact OE1-NE 3.21Å; E418-R422 IonicContact OE1-NH2 2.84Å; E418-R422 PolarHBondContact OE1-NH2 3.02Å; E418-R422 IonicContact OE2-NH2 3.99Å
419R81.8Confident83.6Confident134 Ų13485.4 Ų85.451%0.50638%0.379SS..Hα-helixtrans-57.7-45.1172.6-76.1170.1-178169.52.1111.5K415 Q416 R422 M423K415-R419 WeakPolarHBondContact O-CB 3.19Å; K415-R419 WeakPolarHBondContact O-CG 3.27Å; K415-R419 PolarHBondContact O-N 2.96Å; Q416-R419 WeakPolarHBondContact O-CB 3.41Å; Q416-R419 PolarHBondContact O-N 3.31Å; R419-R422 PolarHBondContact O-N 3.38Å; R419-M423 WeakPolarHBondContact O-CG 3.02Å; R419-M423 PolarHBondContact O-N 3.34Å
420E83.6Confident83.4Confident82 Ų8283 Ų8338%0.38338%0.378SS..Hα-helixtrans-64.7-44.8178.3-74.6175.1-161.900112.5Q416 Q417 E418 R422 M423 R424Q416-E420 PolarHBondContact NE2-OE1 2.87Å; Q416-E420 WeakPolarHBondContact O-CG 3.32Å; Q416-E420 PolarHBondContact O-N 3.5Å; Q417-E420 PolarHBondContact O-N 3.44Å; E418-E420 VanDerWaalsContact C-N 3.33Å; E418-E420 PolarHBondContact O-N 2.89Å; E420-R422 VanDerWaalsContact C-N 3.29Å; E420-R422 PolarHBondContact O-N 2.91Å; E420-M423 PolarHBondContact O-N 2.9Å; E420-R424 WeakPolarHBondContact O-CG 3.2Å; E420-R424 PolarHBondContact O-N 3.46Å
421K78.9Confident83.4Confident98 Ų9883.7 Ų83.743%0.42639%0.386SS..Hα-helixtrans-57.9-42.7174.2-76.4175.3179.9179.40111.4Q417 E418 R425Q417-K421 WeakPolarHBondContact O-CB 2.92Å; Q417-K421 VanDerWaalsContact O-CG 3.31Å; Q417-K421 WeakPolarHBondContact O-CG 3.25Å; Q417-K421 PolarHBondContact O-N 2.99Å; E418-K421 PolarHBondContact O-N 3.43Å; K421-R425 WeakPolarHBondContact O-CG 3.28Å; K421-R425 PolarHBondContact O-N 2.9Å; K421-R425 VanDerWaalsContact O-N 3.1Å
422R76.1Confident83.6Confident81 Ų8180.8 Ų80.831%0.30638%0.375SS..Hα-helixtrans-64.8-46.4177.2-71167.1-179.9-159.71.7111.8E418 R419 E420 R424 R425 M426E418-R422 VanDerWaalsContact CD-NH2 3.28Å; E418-R422 WeakPolarHBondContact O-CB 3.2Å; E418-R422 WeakPolarHBondContact O-CD 3.4Å; E418-R422 WeakPolarHBondContact O-CG 3.49Å; E418-R422 PolarHBondContact O-N 3.03Å; E418-R422 IonicContact OE1-CZ 3.19Å; E418-R422 VanDerWaalsContact OE1-CZ 3.31Å; E418-R422 IonicContact OE1-NE 2.71Å; E418-R422 PolarHBondContact OE1-NE 3.21Å; E418-R422 IonicContact OE1-NH2 2.84Å; E418-R422 PolarHBondContact OE1-NH2 3.02Å; E418-R422 IonicContact OE2-NH2 3.99Å; R419-R422 PolarHBondContact O-N 3.38Å; E420-R422 VanDerWaalsContact C-N 3.29Å; E420-R422 PolarHBondContact O-N 2.91Å; R422-R424 PolarHBondContact O-N 2.78Å; R422-R425 PolarHBondContact O-N 3.48Å; R422-M426 PolarHBondContact O-N 3.37Å
423M79.4Confident83.6Confident110 Ų11082.6 Ų82.654%0.54238%0.378SS..Hα-helixtrans-57.5-47176.3-74.8-60.6-60.800111.7R419 E420 R425 M426 E427R419-M423 WeakPolarHBondContact O-CG 3.02Å; R419-M423 PolarHBondContact O-N 3.34Å; E420-M423 PolarHBondContact O-N 2.9Å; M423-R425 PolarHBondContact O-N 2.68Å; M423-M426 PolarHBondContact O-N 2.99Å; M423-E427 WeakPolarHBondContact O-CG 3.43Å; M423-E427 PolarHBondContact O-N 2.73Å
424R81.4Confident83.5Confident154 Ų15481.2 Ų81.258%0.58139%0.387SS*.Hα-helixtrans-60.1-42.9177.1-70.1-179.8-163174.37.8112.5E420 R422 M426 G428E420-R424 WeakPolarHBondContact O-CG 3.2Å; E420-R424 PolarHBondContact O-N 3.46Å; R422-R424 PolarHBondContact O-N 2.78Å; R424-M426 VanDerWaalsContact C-N 3.35Å; R424-M426 PolarHBondContact O-N 3.32Å; R424-G428 PolarHBondContact O-N 3.14Å
425R77.5Confident83.8Confident63 Ų6383.1 Ų83.124%0.23840%0.398CS..Hα-helixtrans-62.8-40.8176.8-74.2179.1-178.3176.72.4111.7K421 R422 M423 G428 L429 D450K421-R425 WeakPolarHBondContact O-CG 3.28Å; K421-R425 PolarHBondContact O-N 2.9Å; K421-R425 VanDerWaalsContact O-N 3.1Å; R422-R425 PolarHBondContact O-N 3.48Å; M423-R425 PolarHBondContact O-N 2.68Å; R425-G428 PolarHBondContact O-N 3.41Å; R425-L429 WeakPolarHBondContact O-CB 3.42Å; R425-L429 PolarHBondContact O-N 3.29Å; R425-D450 IonicContact CZ-OD1 2.63Å; R425-D450 IonicContact NH2-OD1 3.55Å; R425-D450 PolarHBondContact NH2-OD1 2.89Å
426M79.8Confident83.9Confident74 Ų7482 Ų8237%0.36541%0.412SS..Hα-helixtrans-66.7-47.8178-76.4-67.4-73.200112.6R422 M423 R424 G428 L429 A430R422-M426 PolarHBondContact O-N 3.37Å; M423-M426 PolarHBondContact O-N 2.99Å; R424-M426 VanDerWaalsContact C-N 3.35Å; R424-M426 PolarHBondContact O-N 3.32Å; M426-G428 VanDerWaalsContact C-N 3.26Å; M426-G428 PolarHBondContact O-N 2.98Å; M426-L429 PolarHBondContact O-N 3.22Å; M426-A430 PolarHBondContact O-N 3.46Å
427E84.6Confident83.8Confident116 Ų11680.4 Ų80.454%0.54240%0.402SS..Hα-helixtrans-59.4-41.3175.1-72.4173.4-176.100111.2M423 A430 T431M423-E427 WeakPolarHBondContact O-CG 3.43Å; M423-E427 PolarHBondContact O-N 2.73Å; E427-A430 PolarHBondContact O-N 3.42Å; E427-T431 WeakPolarHBondContact O-CB 3.18Å; E427-T431 PolarHBondContact O-N 2.99Å; E427-T431 PolarHBondContact O-OG1 3.18Å
428G84.9Confident84Confident3 Ų378 Ų783%0.03140%0.397CS..Hα-helixtrans-63.1-43.6176.200000113.5R424 R425 M426 T431 L432 M453R424-G428 PolarHBondContact O-N 3.14Å; R425-G428 PolarHBondContact O-N 3.41Å; M426-G428 VanDerWaalsContact C-N 3.26Å; M426-G428 PolarHBondContact O-N 2.98Å; G428-T431 PolarHBondContact O-N 2.71Å; G428-L432 WeakPolarHBondContact O-CG 3.29Å; G428-L432 PolarHBondContact O-N 3.36Å; G428-M453 WeakPolarHBondContact CA-SD 3.48Å
429L84.9Confident84.1Confident17 Ų1777.8 Ų77.89%0.08940%0.395CS..Hα-helixtrans-65.2-41.6178.2-171.6148.6000111.1T197 R425 M426 T431 R433 K439 A443 L446T197-L429 HydrophobicContact CG2-CD1 4.5Å; R425-L429 WeakPolarHBondContact O-CB 3.42Å; R425-L429 PolarHBondContact O-N 3.29Å; M426-L429 PolarHBondContact O-N 3.22Å; L429-T431 VanDerWaalsContact C-N 3.32Å; L429-T431 PolarHBondContact O-N 2.84Å; L429-R433 HydrophobicContact CD2-CG 4.28Å; L429-R433 WeakPolarHBondContact O-CB 3.46Å; L429-R433 VanDerWaalsContact O-CG 3.3Å; L429-R433 WeakPolarHBondContact O-CG 3.18Å; L429-R433 PolarHBondContact O-N 2.93Å; L429-K439 HydrophobicContact CD2-CG 4.38Å; L429-A443 HydrophobicContact CD1-CB 4.02Å; L429-L446 HydrophobicContact CB-CD1 3.8Å; L429-L446 VanDerWaalsContact N-CD1 3.31Å
430A85.8Confident84.1Confident58 Ų5880.2 Ų80.248%0.47940%0.404SS..Hα-helixtrans-60.6-42.9174.300000111.6M426 E427 R433 A434M426-A430 PolarHBondContact O-N 3.46Å; E427-A430 PolarHBondContact O-N 3.42Å; A430-R433 PolarHBondContact O-N 3.33Å; A430-A434 WeakPolarHBondContact O-CB 3.08Å; A430-A434 PolarHBondContact O-N 2.98Å
431T89.2Confident84.2Confident70 Ų7079.1 Ų79.143%0.42940%0.401SS..Hα-helixtrans-64.8-49179.2-55.50000111.7E427 G428 L429 R433 A434 L435 M453E427-T431 WeakPolarHBondContact O-CB 3.18Å; E427-T431 PolarHBondContact O-N 2.99Å; E427-T431 PolarHBondContact O-OG1 3.18Å; G428-T431 PolarHBondContact O-N 2.71Å; L429-T431 VanDerWaalsContact C-N 3.32Å; L429-T431 PolarHBondContact O-N 2.84Å; T431-R433 VanDerWaalsContact C-N 3.3Å; T431-R433 PolarHBondContact O-N 3.46Å; T431-A434 WeakPolarHBondContact O-CB 3.5Å; T431-A434 PolarHBondContact O-N 3.47Å; T431-A434 VanDerWaalsContact O-N 3.13Å; T431-L435 HydrophobicContact CG2-CD1 4.43Å; T431-L435 WeakPolarHBondContact O-CG 3.25Å; T431-L435 PolarHBondContact O-N 2.78Å; T431-M453 HydrophobicContact CG2-CE 3.99Å
432L88.7Confident84.5Confident1 Ų174.5 Ų74.51%0.00538%0.381CS..Hα-helixtrans-64.3-35.1178.6-68.3174.9000112.2G428 L435 G436 Y437 A442 L446 M453 A456 Y457 L460G428-L432 WeakPolarHBondContact O-CG 3.29Å; G428-L432 PolarHBondContact O-N 3.36Å; L432-L435 HydrophobicContact CD2-CD1 4.33Å; L432-L435 PolarHBondContact O-N 3.49Å; L432-G436 PolarHBondContact O-N 2.57Å; L432-Y437 HydrophobicContact CB-CD2 4.45Å; L432-Y437 HydrophobicContact CD2-CD2 4.29Å; L432-Y437 WeakPolarHBondContact O-CB 3.31Å; L432-Y437 WeakPolarHBondContact O-CD2 3.46Å; L432-Y437 PolarHBondContact O-N 2.64Å; L432-Y437 VanDerWaalsContact O-N 3.12Å; L432-A442 HydrophobicContact CB-CB 3.57Å; L432-A442 HydrophobicContact CD1-CB 3.91Å; L432-A442 HydrophobicContact CG-CB 4.41Å; L432-L446 HydrophobicContact CD1-CD1 3.83Å; L432-L446 HydrophobicContact CD1-CD2 4.12Å; L432-L446 HydrophobicContact CD1-CG 3.7Å; L432-M453 HydrophobicContact CD2-CE 4.33Å; L432-M453 HydrophobicContact CG-CE 4.09Å; L432-A456 HydrophobicContact CD1-CB 4.29Å; L432-Y457 HydrophobicContact CD2-CD2 4.31Å; L432-L460 HydrophobicContact CD1-CD1 3.87Å; L432-L460 HydrophobicContact CD2-CD1 3.77Å; L432-L460 HydrophobicContact CG-CD1 4.3Å
433R88.5Confident84.8Confident137 Ų13771.1 Ų71.152%0.51737%0.37SS..Hα-helixtrans-66.4-40172.2-75-177.672.3175.32.8112.3L429 A430 T431 L435 G436L429-R433 HydrophobicContact CD2-CG 4.28Å; L429-R433 WeakPolarHBondContact O-CB 3.46Å; L429-R433 VanDerWaalsContact O-CG 3.3Å; L429-R433 WeakPolarHBondContact O-CG 3.18Å; L429-R433 PolarHBondContact O-N 2.93Å; A430-R433 PolarHBondContact O-N 3.33Å; T431-R433 VanDerWaalsContact C-N 3.3Å; T431-R433 PolarHBondContact O-N 3.46Å; R433-L435 PolarHBondContact O-N 3.04Å; R433-G436 PolarHBondContact O-N 3.43Å
434A88.5Confident84.9Confident89 Ų8972.1 Ų72.174%0.73637%0.368SS*.Hα-helixtrans-63.9-29.7174.800000112.2A430 T431 G436A430-A434 WeakPolarHBondContact O-CB 3.08Å; A430-A434 PolarHBondContact O-N 2.98Å; T431-A434 WeakPolarHBondContact O-CB 3.5Å; T431-A434 PolarHBondContact O-N 3.47Å; T431-A434 VanDerWaalsContact O-N 3.13Å; A434-G436 PolarHBondContact O-N 3.45Å
435L88.9Confident85.1Confident107 Ų10764.9 Ų64.956%0.5634%0.341SS*.THydrogen-bonded Turntrans-76.2-2.7172.4-66.8171.9000113.9T431 L432 R433 Y437 Y457T431-L435 HydrophobicContact CG2-CD1 4.43Å; T431-L435 WeakPolarHBondContact O-CG 3.25Å; T431-L435 PolarHBondContact O-N 2.78Å; L432-L435 HydrophobicContact CD2-CD1 4.33Å; L432-L435 PolarHBondContact O-N 3.49Å; R433-L435 PolarHBondContact O-N 3.04Å; L435-Y437 HydrophobicContact CB-CD2 4.04Å; L435-Y437 HydrophobicContact CB-CE2 4.13Å; L435-Y457 HydrophobicContact CD1-CE2 4.37Å
436G86.2Confident85.3Confident67 Ų6762.1 Ų62.169%0.69133%0.331SS*.THydrogen-bonded Turntrans96.42.4174.500000115.2L432 R433 A434L432-G436 PolarHBondContact O-N 2.57Å; R433-G436 PolarHBondContact O-N 3.43Å; A434-G436 PolarHBondContact O-N 3.45Å
437Y86.8Confident85.2Confident47 Ų4764.5 Ų64.518%0.18434%0.341CS..  trans-73.5146.7174.2-63.5-78.7000111.4L432 L435 Y457 L460 T464L432-Y437 HydrophobicContact CB-CD2 4.45Å; L432-Y437 HydrophobicContact CD2-CD2 4.29Å; L432-Y437 WeakPolarHBondContact O-CB 3.31Å; L432-Y437 WeakPolarHBondContact O-CD2 3.46Å; L432-Y437 PolarHBondContact O-N 2.64Å; L432-Y437 VanDerWaalsContact O-N 3.12Å; L435-Y437 HydrophobicContact CB-CD2 4.04Å; L435-Y437 HydrophobicContact CB-CE2 4.13Å; Y437-Y457 HydrophobicContact CE2-CD2 4.24Å; Y437-Y457 AromaticContact CE2-CE2 3.97Å; Y437-Y457 HydrophobicContact CE2-CE2 3.97Å; Y437-L460 HydrophobicContact CD1-CB 4.27Å; Y437-L460 HydrophobicContact CD1-CD1 4.03Å; Y437-L460 HydrophobicContact CD1-CD2 4.08Å; Y437-L460 HydrophobicContact CD1-CG 4.36Å; Y437-L460 HydrophobicContact CD2-CD1 3.97Å; Y437-L460 HydrophobicContact CE1-CB 3.83Å; Y437-L460 HydrophobicContact CE1-CD1 4.25Å; Y437-L460 HydrophobicContact CE1-CD2 4.46Å; Y437-L460 HydrophobicContact CE1-CG 4.4Å; Y437-L460 HydrophobicContact CE2-CD1 4.19Å; Y437-L460 HydrophobicContact CG-CD1 3.88Å; Y437-T464 HydrophobicContact CE1-CG2 4.35Å
438S86.9Confident84.9Confident54 Ų5464.2 Ų64.238%0.37834%0.34SS..  trans-61.8148.5174.690.10000110.2R440 D441 A442S438-R440 PolarHBondContact O-N 2.78Å; S438-R440 PolarHBondContact OG-N 3.37Å; S438-D441 PolarHBondContact O-N 3.28Å; S438-D441 PolarHBondContact OG-N 3.45Å; S438-D441 VanDerWaalsContact OG-N 3.09Å; S438-D441 PolarHBondContact OG-OD2 3.5Å; S438-A442 WeakPolarHBondContact O-CB 3.42Å; S438-A442 PolarHBondContact O-N 2.78Å
439K83.6Confident84.8Confident71 Ų7164.1 Ų64.131%0.30934%0.339SS..Hα-helixtrans-52.3-40.5175.5-178.4-175.9177.3-168.30110.9D198 L429 A443D198-K439 IonicContact OD1-NZ 2.77Å; D198-K439 PolarHBondContact OD1-NZ 3.4Å; D198-K439 IonicContact OD2-NZ 3.54Å; D198-K439 PolarHBondContact OD2-NZ 2.94Å; L429-K439 HydrophobicContact CD2-CG 4.38Å; K439-A443 WeakPolarHBondContact O-CB 3.45Å; K439-A443 PolarHBondContact O-N 3.4Å
440R82.2Confident84.3Confident185 Ų18568.6 Ų68.670%0.69836%0.363SS*.Hα-helixtrans-66.9-43.6-176.5-170.2178.3-170.8148.93.7112.3S438 R444S438-R440 PolarHBondContact O-N 2.78Å; S438-R440 PolarHBondContact OG-N 3.37Å; R440-R444 WeakPolarHBondContact O-CB 3.36Å; R440-R444 PolarHBondContact O-N 3.32Å
441D84.4Confident83.7Confident60 Ų6066.6 Ų66.632%0.32135%0.348SS..Hα-helixtrans-77.6-39.4-177.2-56.5-41.3000110.9S438 A443 R444 A445 L460S438-D441 PolarHBondContact O-N 3.28Å; S438-D441 PolarHBondContact OG-N 3.45Å; S438-D441 VanDerWaalsContact OG-N 3.09Å; S438-D441 PolarHBondContact OG-OD2 3.5Å; D441-A443 PolarHBondContact O-N 2.89Å; D441-R444 PolarHBondContact O-N 2.91Å; D441-R444 IonicContact OD1-CZ 3.56Å; D441-R444 IonicContact OD1-NE 3.23Å; D441-R444 IonicContact OD1-NH2 3.94Å; D441-R444 PolarHBondContact OD1-NH2 2.94Å; D441-A445 WeakPolarHBondContact O-CB 3.4Å; D441-A445 PolarHBondContact O-N 2.89Å; D441-L460 HydrophobicContact CB-CD2 3.87Å
442A86.3Confident83.5Confident0 Ų066.8 Ų66.80%035%0.346CS..Hα-helixtrans-56.4-49.717100000111.8L432 S438 R444 A445 L446L432-A442 HydrophobicContact CB-CB 3.57Å; L432-A442 HydrophobicContact CD1-CB 3.91Å; L432-A442 HydrophobicContact CG-CB 4.41Å; S438-A442 WeakPolarHBondContact O-CB 3.42Å; S438-A442 PolarHBondContact O-N 2.78Å; A442-R444 PolarHBondContact O-N 3.45Å; A442-A445 PolarHBondContact O-N 3.26Å; A442-L446 WeakPolarHBondContact O-CB 3.31Å; A442-L446 WeakPolarHBondContact O-CD1 3.49Å; A442-L446 VanDerWaalsContact O-CG 3.27Å; A442-L446 WeakPolarHBondContact O-CG 3.18Å; A442-L446 PolarHBondContact O-N 3.5Å
443A81.4Confident83.3Confident10 Ų1069.5 Ų69.58%0.08336%0.359CS..Hα-helixtrans-59.5-46.1176.400000112.5T197 L429 K439 D441 L446 H447T197-A443 HydrophobicContact CG2-CB 3.48Å; T197-A443 VanDerWaalsContact CG2-CB 3.48Å; L429-A443 HydrophobicContact CD1-CB 4.02Å; K439-A443 WeakPolarHBondContact O-CB 3.45Å; K439-A443 PolarHBondContact O-N 3.4Å; D441-A443 PolarHBondContact O-N 2.89Å; A443-L446 PolarHBondContact O-N 2.79Å; A443-H447 VanDerWaalsContact O-CB 3.3Å; A443-H447 WeakPolarHBondContact O-CB 3.48Å; A443-H447 PolarHBondContact O-N 3.45Å
444R82Confident83.2Confident132 Ų13269.7 Ų69.750%0.49837%0.371SS..Hα-helixtrans-61.2-46.6179.1-169.4-166.3-43.8-171.513.1111.8R440 D441 A442 H447 Q448R440-R444 WeakPolarHBondContact O-CB 3.36Å; R440-R444 PolarHBondContact O-N 3.32Å; D441-R444 PolarHBondContact O-N 2.91Å; D441-R444 IonicContact OD1-CZ 3.56Å; D441-R444 IonicContact OD1-NE 3.23Å; D441-R444 IonicContact OD1-NH2 3.94Å; D441-R444 PolarHBondContact OD1-NH2 2.94Å; A442-R444 PolarHBondContact O-N 3.45Å; R444-H447 PolarHBondContact O-N 3.15Å; R444-Q448 WeakPolarHBondContact O-CG 3.43Å; R444-Q448 PolarHBondContact O-N 2.85Å
445A85.3Confident83.1Confident2 Ų272.9 Ų72.92%0.01736%0.364CS..Hα-helixtrans-66.4-42.9-179.600000111.7D441 A442 H447 Q448 A449 A456 I459 L460D441-A445 WeakPolarHBondContact O-CB 3.4Å; D441-A445 PolarHBondContact O-N 2.89Å; A442-A445 PolarHBondContact O-N 3.26Å; A445-H447 VanDerWaalsContact C-N 3.33Å; A445-H447 PolarHBondContact O-N 2.96Å; A445-Q448 PolarHBondContact O-N 3.45Å; A445-A449 WeakPolarHBondContact O-CB 3.41Å; A445-A449 PolarHBondContact O-N 3.12Å; A445-A456 HydrophobicContact CB-CB 4.17Å; A445-I459 HydrophobicContact CB-CB 4.3Å; A445-I459 HydrophobicContact CB-CG2 4.1Å; A445-L460 HydrophobicContact CB-CD1 4.03Å; A445-L460 HydrophobicContact CB-CD2 3.81Å; A445-L460 HydrophobicContact CB-CG 3.54Å
446L83.1Confident83.1Confident5 Ų567.8 Ų67.83%0.02634%0.337CS..Hα-helixtrans-62.7-39.3174.1-74.2166.6000112.3L429 L432 A442 A443 A449 D450 G451 M453 A456L429-L446 HydrophobicContact CB-CD1 3.8Å; L429-L446 VanDerWaalsContact N-CD1 3.31Å; L432-L446 HydrophobicContact CD1-CD1 3.83Å; L432-L446 HydrophobicContact CD1-CD2 4.12Å; L432-L446 HydrophobicContact CD1-CG 3.7Å; A442-L446 WeakPolarHBondContact O-CB 3.31Å; A442-L446 WeakPolarHBondContact O-CD1 3.49Å; A442-L446 VanDerWaalsContact O-CG 3.27Å; A442-L446 WeakPolarHBondContact O-CG 3.18Å; A442-L446 PolarHBondContact O-N 3.5Å; A443-L446 PolarHBondContact O-N 2.79Å; L446-A449 CarbonylContact O-C 3.43Å; L446-A449 PolarHBondContact O-N 3.33Å; L446-D450 PolarHBondContact O-N 3.14Å; L446-G451 PolarHBondContact O-N 3.4Å; L446-M453 HydrophobicContact CD2-SD 3.6Å; L446-M453 VanDerWaalsContact CD2-SD 3.6Å; L446-A456 HydrophobicContact CD2-CB 3.7Å; L446-A456 HydrophobicContact CG-CB 4.05Å
447H77.6Confident83.1Confident124 Ų12469.4 Ų69.457%0.57432%0.323SS*.Hα-helixtrans-63.9-44.1176.3-17375.4000111.5A443 R444 A445 A449 D450A443-H447 VanDerWaalsContact O-CB 3.3Å; A443-H447 WeakPolarHBondContact O-CB 3.48Å; A443-H447 PolarHBondContact O-N 3.45Å; R444-H447 PolarHBondContact O-N 3.15Å; A445-H447 VanDerWaalsContact C-N 3.33Å; A445-H447 PolarHBondContact O-N 2.96Å; H447-A449 VanDerWaalsContact C-N 3.3Å; H447-A449 PolarHBondContact O-N 3.36Å; H447-D450 PolarHBondContact O-N 2.97Å
448Q77.9Confident83.1Confident109 Ų10968.4 Ų68.451%0.50933%0.327SS..Hα-helixtrans-68.2-29.8176.7-71.5178.24.800113.1R444 A445 D450 I459R444-Q448 WeakPolarHBondContact O-CG 3.43Å; R444-Q448 PolarHBondContact O-N 2.85Å; A445-Q448 PolarHBondContact O-N 3.45Å; Q448-D450 VanDerWaalsContact C-N 3.33Å; Q448-I459 HydrophobicContact CB-CD1 3.75Å
449A82.7Confident83.2Confident2 Ų267.5 Ų67.52%0.01732%0.317CS..THydrogen-bonded Turntrans-86.70.9177.100000113.9A445 L446 H447 G451 D452 R455 A456 I459A445-A449 WeakPolarHBondContact O-CB 3.41Å; A445-A449 PolarHBondContact O-N 3.12Å; L446-A449 CarbonylContact O-C 3.43Å; L446-A449 PolarHBondContact O-N 3.33Å; H447-A449 VanDerWaalsContact C-N 3.3Å; H447-A449 PolarHBondContact O-N 3.36Å; A449-G451 PolarHBondContact O-N 3.06Å; A449-D452 HydrophobicContact CB-CB 4.33Å; A449-D452 VanDerWaalsContact CB-O 3.25Å; A449-D452 WeakPolarHBondContact CB-O 3.26Å; A449-D452 VanDerWaalsContact O-CB 3.26Å; A449-D452 WeakPolarHBondContact O-CB 3.33Å; A449-D452 PolarHBondContact O-N 3.48Å; A449-D452 VanDerWaalsContact O-N 3.07Å; A449-R455 HydrophobicContact CB-CB 3.65Å; A449-A456 HydrophobicContact CB-CB 3.85Å; A449-I459 HydrophobicContact CB-CD1 4.23Å
450D74.6Confident83.5Confident111 Ų11164.5 Ų64.559%0.59431%0.305SS*.THydrogen-bonded Turntrans52.437.4-173.1-162.122.5000113.8R425 L446 H447 Q448 D452R425-D450 IonicContact CZ-OD1 2.63Å; R425-D450 IonicContact NH2-OD1 3.55Å; R425-D450 PolarHBondContact NH2-OD1 2.89Å; L446-D450 PolarHBondContact O-N 3.14Å; H447-D450 PolarHBondContact O-N 2.97Å; Q448-D450 VanDerWaalsContact C-N 3.33Å; D450-D452 VanDerWaalsContact C-N 3.32Å
451G73.5Confident83.6Confident15 Ų1558.3 Ų58.316%0.15529%0.285CS..THydrogen-bonded Turntrans79.96.1-178.600000115.2L446 A449 M453L446-G451 PolarHBondContact O-N 3.4Å; A449-G451 PolarHBondContact O-N 3.06Å; G451-M453 PolarHBondContact O-N 3.48Å
452D83.3Confident83.5Confident75 Ų7562 Ų6240%0.40130%0.301SS..  trans-75.5117.8170.3-174.7-46.7000110.4A449 D450 D454 R455 A456A449-D452 HydrophobicContact CB-CB 4.33Å; A449-D452 VanDerWaalsContact CB-O 3.25Å; A449-D452 WeakPolarHBondContact CB-O 3.26Å; A449-D452 VanDerWaalsContact O-CB 3.26Å; A449-D452 WeakPolarHBondContact O-CB 3.33Å; A449-D452 PolarHBondContact O-N 3.48Å; A449-D452 VanDerWaalsContact O-N 3.07Å; D450-D452 VanDerWaalsContact C-N 3.32Å; D452-D454 PolarHBondContact OD1-N 3.47Å; D452-R455 HydrophobicContact CB-CB 4.12Å; D452-R455 PolarHBondContact OD1-N 3.15Å; D452-A456 VanDerWaalsContact O-CB 3.25Å; D452-A456 WeakPolarHBondContact O-CB 3.44Å; D452-A456 PolarHBondContact O-N 3.05Å
453M85.1Confident83Confident57 Ų5764.7 Ų64.728%0.28132%0.32SS..Hα-helixtrans-66.7-41-175.2-75.6-59.4-69.300113.7G428 T431 L432 L446 G451 A456 Y457G428-M453 WeakPolarHBondContact CA-SD 3.48Å; T431-M453 HydrophobicContact CG2-CE 3.99Å; L432-M453 HydrophobicContact CD2-CE 4.33Å; L432-M453 HydrophobicContact CG-CE 4.09Å; L446-M453 HydrophobicContact CD2-SD 3.6Å; L446-M453 VanDerWaalsContact CD2-SD 3.6Å; G451-M453 PolarHBondContact O-N 3.48Å; M453-A456 PolarHBondContact O-N 2.97Å; M453-Y457 WeakPolarHBondContact O-CB 3.22Å; M453-Y457 PolarHBondContact O-N 3.39Å
454D85.8Confident82.5Confident141 Ų14166.9 Ų66.975%0.75433%0.332SS*.Hα-helixtrans-71.6-41.2-175.9-66-35.3000109.8D452 Y457 G458D452-D454 PolarHBondContact OD1-N 3.47Å; D454-Y457 PolarHBondContact O-N 3.01Å; D454-G458 PolarHBondContact O-N 3.48Å
455R86.8Confident81.7Confident157 Ų15766.4 Ų66.459%0.59234%0.335SS*.Hα-helixtrans-63.9-43.2171-86.4-175.680.7-179.84.2112.2A449 D452 Y457 G458 I459A449-R455 HydrophobicContact CB-CB 3.65Å; D452-R455 HydrophobicContact CB-CB 4.12Å; D452-R455 PolarHBondContact OD1-N 3.15Å; R455-Y457 VanDerWaalsContact C-N 3.31Å; R455-Y457 PolarHBondContact O-N 2.79Å; R455-G458 PolarHBondContact O-N 2.75Å; R455-I459 VanDerWaalsContact O-CG1 3.31Å; R455-I459 WeakPolarHBondContact O-CG1 2.97Å; R455-I459 PolarHBondContact O-N 2.98Å
456A88.6Confident80.5Confident0 Ų069.3 Ų69.30%036%0.36CS..Hα-helixtrans-61.6-42.317900000111.2L432 A445 L446 A449 D452 M453 I459 L460L432-A456 HydrophobicContact CD1-CB 4.29Å; A445-A456 HydrophobicContact CB-CB 4.17Å; L446-A456 HydrophobicContact CD2-CB 3.7Å; L446-A456 HydrophobicContact CG-CB 4.05Å; A449-A456 HydrophobicContact CB-CB 3.85Å; D452-A456 VanDerWaalsContact O-CB 3.25Å; D452-A456 WeakPolarHBondContact O-CB 3.44Å; D452-A456 PolarHBondContact O-N 3.05Å; M453-A456 PolarHBondContact O-N 2.97Å; A456-I459 PolarHBondContact O-N 2.94Å; A456-L460 WeakPolarHBondContact O-CG 3.26Å; A456-L460 PolarHBondContact O-N 3.22Å
457Y87.3Confident79.3Confident101 Ų10175.2 Ų75.240%0.39639%0.387SS..Hα-helixtrans-63.2-41.9175.1-170.6-110.7000112L432 L435 Y437 M453 D454 R455 I459 L460 L461L432-Y457 HydrophobicContact CD2-CD2 4.31Å; L435-Y457 HydrophobicContact CD1-CE2 4.37Å; Y437-Y457 HydrophobicContact CE2-CD2 4.24Å; Y437-Y457 AromaticContact CE2-CE2 3.97Å; Y437-Y457 HydrophobicContact CE2-CE2 3.97Å; M453-Y457 WeakPolarHBondContact O-CB 3.22Å; M453-Y457 PolarHBondContact O-N 3.39Å; D454-Y457 PolarHBondContact O-N 3.01Å; R455-Y457 VanDerWaalsContact C-N 3.31Å; R455-Y457 PolarHBondContact O-N 2.79Å; Y457-I459 PolarHBondContact O-N 3.2Å; Y457-L460 PolarHBondContact O-N 2.75Å; Y457-L461 HydrophobicContact CD1-CD1 3.5Å; Y457-L461 HydrophobicContact CD1-CG 4.35Å; Y457-L461 HydrophobicContact CE1-CD1 3.27Å; Y457-L461 HydrophobicContact CE1-CG 4.05Å; Y457-L461 HydrophobicContact CG-CD1 4.34Å; Y457-L461 WeakPolarHBondContact O-CG 3.47Å; Y457-L461 PolarHBondContact O-N 2.77Å
458G87.6Confident78.2Confident26 Ų2672.4 Ų72.427%0.26838%0.381SS..Hα-helixtrans-58.1-45.9173.500000113.4D454 R455 L460 L461 E462D454-G458 PolarHBondContact O-N 3.48Å; R455-G458 PolarHBondContact O-N 2.75Å; G458-L460 VanDerWaalsContact C-N 3.32Å; G458-L460 PolarHBondContact O-N 2.84Å; G458-L461 PolarHBondContact O-N 3.16Å; G458-E462 WeakPolarHBondContact O-CG 3.43Å; G458-E462 PolarHBondContact O-N 3.44Å
459I88.2Confident76.7Confident34 Ų3469.5 Ų69.517%0.17438%0.376CS..Hα-helixtrans-61.4-41.4177.3-67.9165.7000111.2A445 Q448 A449 R455 A456 Y457 S463A445-I459 HydrophobicContact CB-CB 4.3Å; A445-I459 HydrophobicContact CB-CG2 4.1Å; Q448-I459 HydrophobicContact CB-CD1 3.75Å; A449-I459 HydrophobicContact CB-CD1 4.23Å; R455-I459 VanDerWaalsContact O-CG1 3.31Å; R455-I459 WeakPolarHBondContact O-CG1 2.97Å; R455-I459 PolarHBondContact O-N 2.98Å; A456-I459 PolarHBondContact O-N 2.94Å; Y457-I459 PolarHBondContact O-N 3.2Å; I459-S463 WeakPolarHBondContact O-CB 3.38Å; I459-S463 PolarHBondContact O-N 3.41Å; I459-S463 PolarHBondContact O-OG 3.31Å
460L88.9Confident75Confident8 Ų871.6 Ų71.64%0.04239%0.393CS..Hα-helixtrans-66.2-42.2177.4-72.5170000111.8L432 Y437 D441 A445 A456 Y457 G458 S463 T464L432-L460 HydrophobicContact CD1-CD1 3.87Å; L432-L460 HydrophobicContact CD2-CD1 3.77Å; L432-L460 HydrophobicContact CG-CD1 4.3Å; Y437-L460 HydrophobicContact CD1-CB 4.27Å; Y437-L460 HydrophobicContact CD1-CD1 4.03Å; Y437-L460 HydrophobicContact CD1-CD2 4.08Å; Y437-L460 HydrophobicContact CD1-CG 4.36Å; Y437-L460 HydrophobicContact CD2-CD1 3.97Å; Y437-L460 HydrophobicContact CE1-CB 3.83Å; Y437-L460 HydrophobicContact CE1-CD1 4.25Å; Y437-L460 HydrophobicContact CE1-CD2 4.46Å; Y437-L460 HydrophobicContact CE1-CG 4.4Å; Y437-L460 HydrophobicContact CE2-CD1 4.19Å; Y437-L460 HydrophobicContact CG-CD1 3.88Å; D441-L460 HydrophobicContact CB-CD2 3.87Å; A445-L460 HydrophobicContact CB-CD1 4.03Å; A445-L460 HydrophobicContact CB-CD2 3.81Å; A445-L460 HydrophobicContact CB-CG 3.54Å; A456-L460 WeakPolarHBondContact O-CG 3.26Å; A456-L460 PolarHBondContact O-N 3.22Å; Y457-L460 PolarHBondContact O-N 2.75Å; G458-L460 VanDerWaalsContact C-N 3.32Å; G458-L460 PolarHBondContact O-N 2.84Å; L460-S463 PolarHBondContact O-N 3Å; L460-T464 WeakPolarHBondContact O-CG2 3.46Å; L460-T464 PolarHBondContact O-N 3.1Å; L460-T464 PolarHBondContact O-OG1 3.24Å
461L85.9Confident73.7Confident56 Ų5671.1 Ų71.129%0.29339%0.394SS..Hα-helixtrans-60.9-47.8175.5-82.7163.6000111.9Y457 G458 S463 T464 Q465Y457-L461 HydrophobicContact CD1-CD1 3.5Å; Y457-L461 HydrophobicContact CD1-CG 4.35Å; Y457-L461 HydrophobicContact CE1-CD1 3.27Å; Y457-L461 HydrophobicContact CE1-CG 4.05Å; Y457-L461 HydrophobicContact CG-CD1 4.34Å; Y457-L461 WeakPolarHBondContact O-CG 3.47Å; Y457-L461 PolarHBondContact O-N 2.77Å; G458-L461 PolarHBondContact O-N 3.16Å; L461-S463 VanDerWaalsContact C-N 3.29Å; L461-S463 PolarHBondContact O-N 3.15Å; L461-T464 WeakPolarHBondContact CA-OG1 3.41Å; L461-T464 PolarHBondContact O-N 2.84Å; L461-T464 PolarHBondContact O-OG1 2.72Å; L461-Q465 WeakPolarHBondContact O-CB 3.42Å; L461-Q465 VanDerWaalsContact O-CG 3.31Å; L461-Q465 WeakPolarHBondContact O-CG 3.26Å; L461-Q465 PolarHBondContact O-N 3.4Å
462E82.4Confident72.1Confident138 Ų13875.4 Ų75.465%0.64542%0.417SS*.Hα-helixtrans-59.6-40.5176.8-75.1178.1-176.300111.9G458 Q465 A466G458-E462 WeakPolarHBondContact O-CG 3.43Å; G458-E462 PolarHBondContact O-N 3.44Å; E462-Q465 PolarHBondContact O-N 3.23Å; E462-A466 WeakPolarHBondContact O-CB 3.44Å; E462-A466 PolarHBondContact O-N 3.47Å
463S75.3Confident70.1Confident56 Ų5677.1 Ų77.139%0.39243%0.426SS..Hα-helixtrans-64.1-46.3177.1-54.70000111.3I459 L460 L461 Q465 A466 E467I459-S463 WeakPolarHBondContact O-CB 3.38Å; I459-S463 PolarHBondContact O-N 3.41Å; I459-S463 PolarHBondContact O-OG 3.31Å; L460-S463 PolarHBondContact O-N 3Å; L461-S463 VanDerWaalsContact C-N 3.29Å; L461-S463 PolarHBondContact O-N 3.15Å; S463-Q465 VanDerWaalsContact C-N 3.31Å; S463-Q465 PolarHBondContact O-N 2.97Å; S463-A466 PolarHBondContact O-N 3.12Å; S463-E467 WeakPolarHBondContact O-CG 3.48Å; S463-E467 PolarHBondContact O-N 2.67Å
464T70.8Confident67.7Low56 Ų5681.8 Ų81.834%0.34445%0.447SS..Hα-helixtrans-66.6-30.817654.30000113.1Y437 L460 L461 S468Y437-T464 HydrophobicContact CE1-CG2 4.35Å; L460-T464 WeakPolarHBondContact O-CG2 3.46Å; L460-T464 PolarHBondContact O-N 3.1Å; L460-T464 PolarHBondContact O-OG1 3.24Å; L461-T464 WeakPolarHBondContact CA-OG1 3.41Å; L461-T464 PolarHBondContact O-N 2.84Å; L461-T464 PolarHBondContact O-OG1 2.72Å; T464-S468 WeakPolarHBondContact O-CB 3.49Å; T464-S468 PolarHBondContact O-N 3.43Å; T464-S468 PolarHBondContact O-OG 3.06Å
465Q65.5Low65.4Low121 Ų12182.5 Ų82.557%0.56545%0.451SS*.Hα-helixtrans-73.4-37.5174.7-75176.542.200112.1L461 E462 S463 S468 A469L461-Q465 WeakPolarHBondContact O-CB 3.42Å; L461-Q465 VanDerWaalsContact O-CG 3.31Å; L461-Q465 WeakPolarHBondContact O-CG 3.26Å; L461-Q465 PolarHBondContact O-N 3.4Å; E462-Q465 PolarHBondContact O-N 3.23Å; S463-Q465 VanDerWaalsContact C-N 3.31Å; S463-Q465 PolarHBondContact O-N 2.97Å; Q465-S468 VanDerWaalsContact CA-OG 3.27Å; Q465-S468 WeakPolarHBondContact CA-OG 3.27Å; Q465-S468 PolarHBondContact O-OG 3.45Å; Q465-A469 WeakPolarHBondContact O-CB 3.45Å; Q465-A469 PolarHBondContact O-N 3.18Å
466A59.6Low63.1Low64 Ų6480 Ų8053%0.52945%0.453SS..Hα-helixtrans-67.3-39.7173.300000111.9E462 S463 A470E462-A466 WeakPolarHBondContact O-CB 3.44Å; E462-A466 PolarHBondContact O-N 3.47Å; S463-A466 PolarHBondContact O-N 3.12Å; A466-A470 WeakPolarHBondContact O-CB 3.19Å; A466-A470 PolarHBondContact O-N 3.07Å
467E57.2Low60.9Low129 Ų12986.1 Ų86.160%0.60348%0.482SS*.Hα-helixtrans-67.4-42.8173.9-73.7175.3-179.300111.8S463 A470 V471S463-E467 WeakPolarHBondContact O-CG 3.48Å; S463-E467 PolarHBondContact O-N 2.67Å; E467-A470 PolarHBondContact O-N 3.48Å; E467-V471 WeakPolarHBondContact O-CB 3.3Å; E467-V471 WeakPolarHBondContact O-CG2 3.08Å; E467-V471 PolarHBondContact O-N 3.28Å
468S54.5Low59.1Low65 Ų6588.9 Ų88.946%0.45550%0.502SS..Hα-helixtrans-69.3-33175.747.20000112.9T464 Q465 V471 T472T464-S468 WeakPolarHBondContact O-CB 3.49Å; T464-S468 PolarHBondContact O-N 3.43Å; T464-S468 PolarHBondContact O-OG 3.06Å; Q465-S468 VanDerWaalsContact CA-OG 3.27Å; Q465-S468 WeakPolarHBondContact CA-OG 3.27Å; Q465-S468 PolarHBondContact O-OG 3.45Å; S468-V471 PolarHBondContact O-N 2.96Å; S468-T472 PolarHBondContact O-N 2.85Å; S468-T472 PolarHBondContact O-OG1 3.28Å
469A48.1Very low57.4Low47 Ų4793.4 Ų93.439%0.38853%0.527SS..Hα-helixtrans-65.8-37.7170.200000112.4Q465 T472 N473Q465-A469 WeakPolarHBondContact O-CB 3.45Å; Q465-A469 PolarHBondContact O-N 3.18Å; A469-T472 VanDerWaalsContact CA-OG1 3.31Å; A469-T472 WeakPolarHBondContact CA-OG1 3.36Å; A469-T472 PolarHBondContact O-OG1 2.6Å; A469-N473 PolarHBondContact O-N 3.41Å; A469-N473 PolarHBondContact O-ND2 3.11Å
470A46.6Very low56.1Low46 Ų4693.6 Ų93.638%0.3853%0.528SS..Hα-helixtrans-69.7-37.4173.400000112.3A466 E467 N473 H474A466-A470 WeakPolarHBondContact O-CB 3.19Å; A466-A470 PolarHBondContact O-N 3.07Å; E467-A470 PolarHBondContact O-N 3.48Å; A470-N473 CarbonylContact O-C 3.46Å; A470-N473 PolarHBondContact O-N 3.46Å; A470-H474 PolarHBondContact O-CD2 2.93Å; A470-H474 VanDerWaalsContact O-CD2 3.25Å; A470-H474 PolarHBondContact O-N 3Å; A470-H474 VanDerWaalsContact O-N 3.11Å
471V46.7Very low55.3Low102 Ų10297.6 Ų97.662%0.61855%0.55SS*.Hα-helixtrans-72.8-33.9176.5175.20000111.7E467 S468 N473 H474E467-V471 WeakPolarHBondContact O-CB 3.3Å; E467-V471 WeakPolarHBondContact O-CG2 3.08Å; E467-V471 PolarHBondContact O-N 3.28Å; S468-V471 PolarHBondContact O-N 2.96Å; V471-N473 PolarHBondContact O-N 3.33Å; V471-H474 PolarHBondContact O-N 3.03Å
472T40.9Very low54.7Low104 Ų104101.5 Ų101.564%0.63857%0.566SS**Hα-helixtrans-68.5-22.6169.243.60000113.2S468 A469S468-T472 PolarHBondContact O-N 2.85Å; S468-T472 PolarHBondContact O-OG1 3.28Å; A469-T472 VanDerWaalsContact CA-OG1 3.31Å; A469-T472 WeakPolarHBondContact CA-OG1 3.36Å; A469-T472 PolarHBondContact O-OG1 2.6Å
473N39.6Very low54.4Low112 Ų11297.8 Ų97.860%0.59956%0.556SS**THydrogen-bonded Turntrans-91-2.2174.1-77.8-21.3000113.9A469 A470 V471 N475A469-N473 PolarHBondContact O-N 3.41Å; A469-N473 PolarHBondContact O-ND2 3.11Å; A470-N473 CarbonylContact O-C 3.46Å; A470-N473 PolarHBondContact O-N 3.46Å; V471-N473 PolarHBondContact O-N 3.33Å; N473-N475 VanDerWaalsContact C-N 3.31Å
474H34.9Very low54.6Low155 Ų15598.5 Ų98.572%0.71855%0.552SS**THydrogen-bonded Turntrans-88.59.7175.5-88.3-50.6000114.7A470 V471A470-H474 PolarHBondContact O-CD2 2.93Å; A470-H474 VanDerWaalsContact O-CD2 3.25Å; A470-H474 PolarHBondContact O-N 3Å; A470-H474 VanDerWaalsContact O-N 3.11Å; V471-H474 PolarHBondContact O-N 3.03Å
475N37.5Very low55Low156 Ų15696.2 Ų96.283%0.83454%0.538SS*.THydrogen-bonded Turntrans-108.825.4162.6-80.5-19.9000112.5N473N473-N475 VanDerWaalsContact C-N 3.31Å
476T39.2Very low55.7Low103 Ų10396.5 Ų96.563%0.63254%0.539SS*.SBendtrans-128.4105.2166.5-35.60000108.5L478T476-L478 PolarHBondContact O-N 2.95Å
477E42.1Very low56.7Low129 Ų12998.2 Ų98.260%0.60354%0.536SS*.  trans-39.4128.5161.7-57.9-178.9145.300108.8P479 R503E477-P479 VanDerWaalsContact O-N 3.14Å; E477-R503 VanDerWaalsContact CD-NH1 3.27Å; E477-R503 IonicContact OE1-CZ 3.54Å; E477-R503 IonicContact OE1-NH1 2.74Å; E477-R503 PolarHBondContact OE1-NH1 3.24Å; E477-R503 IonicContact OE1-NH2 3.75Å; E477-R503 IonicContact OE2-CZ 3.51Å; E477-R503 IonicContact OE2-NH1 3.5Å; E477-R503 IonicContact OE2-NH2 2.8Å; E477-R503 PolarHBondContact OE2-NH2 3.01Å
478L49.3Very low57.8Low159 Ų15992.1 Ų92.183%0.83251%0.508SS*.  trans-50124.1169.5-81.6156.5000107.6T476 I480T476-L478 PolarHBondContact O-N 2.95Å; L478-I480 PolarHBondContact O-N 3.49Å
479P52.8Low59.3Low121 Ų12192.3 Ų92.379%0.78650%0.503SS*.  trans-62.3115.5179.4-1324.4000107.8E477 D481E477-P479 VanDerWaalsContact O-N 3.14Å; P479-D481 PolarHBondContact O-N 2.64Å
480I60.6Low60.9Low38 Ų38100.1 Ų100.120%0.19552%0.524CS..  trans-65.6127.6171.2-52.4174.8000106.7L478 Q482 V485 E499 L502 R503L478-I480 PolarHBondContact O-N 3.49Å; I480-Q482 PolarHBondContact O-N 2.93Å; I480-V485 HydrophobicContact CB-CG2 4.48Å; I480-V485 HydrophobicContact CG2-CG2 3.64Å; I480-E499 HydrophobicContact CD1-CB 3.95Å; I480-E499 HydrophobicContact CD1-CG 4.27Å; I480-E499 WeakPolarHBondContact CD1-O 3.42Å; I480-L502 HydrophobicContact CG2-CB 4.11Å; I480-L502 HydrophobicContact CG2-CD1 3.96Å; I480-R503 HydrophobicContact CD1-CG 3.53Å; I480-R503 HydrophobicContact CG1-CG 4.14Å
481D71Confident62.5Low93 Ų93102.8 Ų102.850%0.49753%0.532SS..  trans-61.1110.8176.2-174.11.7000109.8P479 S483 K484P479-D481 PolarHBondContact O-N 2.64Å; D481-S483 PolarHBondContact O-N 3.14Å; D481-S483 VanDerWaalsContact O-N 3.07Å; D481-K484 HydrophobicContact CB-CD 4.13Å; D481-K484 HydrophobicContact CB-CG 4.2Å; D481-K484 WeakPolarHBondContact O-CB 3.25Å; D481-K484 PolarHBondContact O-N 3.49Å
482Q73.3Confident63.9Low137 Ų137101 Ų10164%0.6453%0.534SS*.Hα-helixtrans-56.3-29.9-172-134.9111.524.500112.4I480 K484 V485 E486I480-Q482 PolarHBondContact O-N 2.93Å; Q482-K484 VanDerWaalsContact C-N 3.26Å; Q482-K484 PolarHBondContact O-N 3.01Å; Q482-V485 PolarHBondContact O-N 3.02Å; Q482-E486 PolarHBondContact O-N 2.93Å
483S78Confident65.9Low61 Ų6197.4 Ų97.443%0.42751%0.509SS..Hα-helixtrans-62.9-31176.9-179.90000113D481 Q487D481-S483 PolarHBondContact O-N 3.14Å; D481-S483 VanDerWaalsContact O-N 3.07Å; S483-Q487 WeakPolarHBondContact O-CG 3.37Å; S483-Q487 PolarHBondContact O-N 2.95Å
484K79.3Confident67.9Low71 Ų7198.3 Ų98.331%0.30951%0.51SS..Hα-helixtrans-78.6-32178.5-63.8-177.1-179.9-177.30112.1D481 Q482 Q487 L488 L502 G507 V509D481-K484 HydrophobicContact CB-CD 4.13Å; D481-K484 HydrophobicContact CB-CG 4.2Å; D481-K484 WeakPolarHBondContact O-CB 3.25Å; D481-K484 PolarHBondContact O-N 3.49Å; Q482-K484 VanDerWaalsContact C-N 3.26Å; Q482-K484 PolarHBondContact O-N 3.01Å; K484-Q487 PolarHBondContact O-N 3.31Å; K484-L488 PolarHBondContact O-N 3Å; K484-L502 HydrophobicContact CB-CD1 4.1Å; K484-G507 WeakPolarHBondContact CD-O 3.31Å; K484-G507 PolarHBondContact NZ-O 3.23Å; K484-V509 HydrophobicContact CB-CG2 3.78Å; K484-V509 HydrophobicContact CD-CG2 3.94Å; K484-V509 HydrophobicContact CG-CG2 3.83Å
485V79.2Confident69.9Low7 Ų793.2 Ų93.24%0.04249%0.49CS..Hα-helixtrans-66.8-43.5173.1-176.20000109.8I480 Q482 Q487 L488 L489 A498 E499 L502I480-V485 HydrophobicContact CB-CG2 4.48Å; I480-V485 HydrophobicContact CG2-CG2 3.64Å; Q482-V485 PolarHBondContact O-N 3.02Å; V485-Q487 VanDerWaalsContact C-N 3.27Å; V485-Q487 PolarHBondContact O-N 3.46Å; V485-L488 PolarHBondContact O-N 3.35Å; V485-L488 VanDerWaalsContact O-N 3.15Å; V485-L489 HydrophobicContact CG1-CD1 3.97Å; V485-L489 WeakPolarHBondContact O-CG 3.3Å; V485-L489 PolarHBondContact O-N 2.88Å; V485-A498 HydrophobicContact CG1-CB 4.49Å; V485-E499 HydrophobicContact CG1-CG 3.76Å; V485-E499 HydrophobicContact CG2-CG 3.88Å; V485-L502 HydrophobicContact CG2-CD1 3.88Å
486E79.1Confident71.8Confident128 Ų12893.2 Ų93.260%0.59849%0.485SS*.Hα-helixtrans-59.6-34.6175-74.4179177.800113.1Q482 L489 Y490Q482-E486 PolarHBondContact O-N 2.93Å; E486-L489 PolarHBondContact O-N 3.25Å; E486-Y490 WeakPolarHBondContact O-CB 3.25Å; E486-Y490 PolarHBondContact O-N 3.35Å
487Q81.3Confident73.8Confident100 Ų10089 Ų8947%0.46746%0.461SS..Hα-helixtrans-65.3-40.6175.2-75.2176.53.800112.5S483 K484 V485 Y490 L491S483-Q487 WeakPolarHBondContact O-CG 3.37Å; S483-Q487 PolarHBondContact O-N 2.95Å; K484-Q487 PolarHBondContact O-N 3.31Å; V485-Q487 VanDerWaalsContact C-N 3.27Å; V485-Q487 PolarHBondContact O-N 3.46Å; Q487-Y490 PolarHBondContact O-N 3.45Å; Q487-L491 WeakPolarHBondContact O-CG 3.45Å; Q487-L491 PolarHBondContact O-N 2.9Å
488L80.3Confident75.7Confident0 Ų082.9 Ų82.90%043%0.433CS..Hα-helixtrans-72.9-36.2177-67.2177.2000111.9K484 V485 Y490 L491 G492 F493 A498 L502 V509 A512 T513 L516K484-L488 PolarHBondContact O-N 3Å; V485-L488 PolarHBondContact O-N 3.35Å; V485-L488 VanDerWaalsContact O-N 3.15Å; L488-Y490 VanDerWaalsContact C-N 3.35Å; L488-L491 HydrophobicContact CD2-CD1 4.4Å; L488-L491 PolarHBondContact O-N 3.46Å; L488-G492 PolarHBondContact O-N 2.78Å; L488-F493 HydrophobicContact CB-CD2 4.49Å; L488-F493 HydrophobicContact CD2-CD2 4.43Å; L488-F493 WeakPolarHBondContact O-CD2 3.22Å; L488-F493 PolarHBondContact O-N 2.96Å; L488-A498 HydrophobicContact CB-CB 3.69Å; L488-A498 HydrophobicContact CD1-CB 3.92Å; L488-A498 HydrophobicContact CG-CB 4.47Å; L488-L502 HydrophobicContact CD1-CD1 3.67Å; L488-L502 HydrophobicContact CD1-CD2 4.1Å; L488-L502 HydrophobicContact CD1-CG 3.64Å; L488-V509 HydrophobicContact CD2-CG1 4.05Å; L488-V509 HydrophobicContact CG-CG1 4.38Å; L488-A512 HydrophobicContact CD1-CB 3.94Å; L488-T513 WeakPolarHBondContact CD2-OG1 3.38Å; L488-L516 HydrophobicContact CD1-CD1 4.35Å
489L84.6Confident77.1Confident69 Ų6978.5 Ų78.536%0.36141%0.408SS..Hα-helixtrans-60.8-42.6171.5-77.3162.4000111.9V485 E486 L491 G492 F493 P495V485-L489 HydrophobicContact CG1-CD1 3.97Å; V485-L489 WeakPolarHBondContact O-CG 3.3Å; V485-L489 PolarHBondContact O-N 2.88Å; E486-L489 PolarHBondContact O-N 3.25Å; L489-L491 PolarHBondContact O-N 3.48Å; L489-G492 PolarHBondContact O-N 3.41Å; L489-F493 WeakPolarHBondContact CD2-O 3.36Å; L489-P495 HydrophobicContact CD2-CB 3.86Å; L489-P495 HydrophobicContact CD2-CG 4.18Å
490Y82.9Confident78.3Confident212 Ų21273.6 Ų73.683%0.83138%0.377SS*.Hα-helixtrans-63.3-29.3176.4-174-96.5000112.7E486 Q487 L488 G492E486-Y490 WeakPolarHBondContact O-CB 3.25Å; E486-Y490 PolarHBondContact O-N 3.35Å; Q487-Y490 PolarHBondContact O-N 3.45Å; L488-Y490 VanDerWaalsContact C-N 3.35Å; Y490-G492 PolarHBondContact O-N 3.01Å
491L79.6Confident79.2Confident102 Ų10271.8 Ų71.853%0.53437%0.368SS..THydrogen-bonded Turntrans-78.1-2.4174.3-66171.2000113.3Q487 L488 L489 F493 T513Q487-L491 WeakPolarHBondContact O-CG 3.45Å; Q487-L491 PolarHBondContact O-N 2.9Å; L488-L491 HydrophobicContact CD2-CD1 4.4Å; L488-L491 PolarHBondContact O-N 3.46Å; L489-L491 PolarHBondContact O-N 3.48Å; L491-F493 HydrophobicContact CB-CD2 3.9Å; L491-F493 HydrophobicContact CB-CE2 3.84Å; L491-T513 HydrophobicContact CD1-CG2 4.36Å
492G77.2Confident79.6Confident64 Ų6467.4 Ų67.466%0.6635%0.345SS*.THydrogen-bonded Turntrans93.613.9174.500000114.9L488 L489 Y490L488-G492 PolarHBondContact O-N 2.78Å; L489-G492 PolarHBondContact O-N 3.41Å; Y490-G492 PolarHBondContact O-N 3.01Å
493F82.2Confident79.9Confident28 Ų2866.9 Ų66.912%0.12334%0.337CS..  trans-87.3145.4174.7-60-71.6000111.4L488 L489 L491 T513 L516 L517L488-F493 HydrophobicContact CB-CD2 4.49Å; L488-F493 HydrophobicContact CD2-CD2 4.43Å; L488-F493 WeakPolarHBondContact O-CD2 3.22Å; L488-F493 PolarHBondContact O-N 2.96Å; L489-F493 WeakPolarHBondContact CD2-O 3.36Å; L491-F493 HydrophobicContact CB-CD2 3.9Å; L491-F493 HydrophobicContact CB-CE2 3.84Å; F493-T513 HydrophobicContact CE2-CG2 4.07Å; F493-T513 HydrophobicContact CZ-CG2 4.38Å; F493-L516 HydrophobicContact CB-CD1 4.14Å; F493-L516 HydrophobicContact CD1-CB 3.86Å; F493-L516 HydrophobicContact CD1-CD1 4.14Å; F493-L516 HydrophobicContact CD1-CG 4.49Å; F493-L516 HydrophobicContact CD2-CD1 4.26Å; F493-L516 HydrophobicContact CE1-CB 3.73Å; F493-L516 HydrophobicContact CG-CB 4.42Å; F493-L516 HydrophobicContact CG-CD1 3.92Å; F493-L516 HydrophobicContact CZ-CB 4.21Å; F493-L517 HydrophobicContact CE1-CD2 4.3Å; F493-L517 HydrophobicContact CZ-CD2 3.82Å; F493-L517 HydrophobicContact CZ-CG 3.98Å
494E81.4Confident79.8Confident132 Ų13267.9 Ų67.962%0.61734%0.337SS*.  trans-68.2144.9178.7-73.5-65134.300111.8E496 A497 A498E494-E496 VanDerWaalsContact C-N 3.3Å; E494-E496 PolarHBondContact O-N 3.33Å; E494-A497 PolarHBondContact O-N 2.92Å; E494-A498 WeakPolarHBondContact O-CB 3.3Å; E494-A498 PolarHBondContact O-N 2.96Å
495P77.4Confident79.7Confident47 Ų4766.5 Ų66.531%0.30533%0.334SS..Hα-helixtrans-56-43-172.915-25.7000112.8L489 A497 A498 E499L489-P495 HydrophobicContact CD2-CB 3.86Å; L489-P495 HydrophobicContact CD2-CG 4.18Å; P495-A497 PolarHBondContact O-N 3.48Å; P495-A498 PolarHBondContact O-N 3.46Å; P495-E499 WeakPolarHBondContact O-CG 3.36Å; P495-E499 PolarHBondContact O-N 3.18Å
496E77.7Confident79.4Confident157 Ų15769.6 Ų69.673%0.73437%0.368SS*.Hα-helixtrans-68.5-38.1-175.8-66.1156.4-177.100111.6E494 A500E494-E496 VanDerWaalsContact C-N 3.3Å; E494-E496 PolarHBondContact O-N 3.33Å; E496-A500 VanDerWaalsContact O-CB 3.27Å; E496-A500 WeakPolarHBondContact O-CB 3.41Å; E496-A500 PolarHBondContact O-N 2.9Å; E496-A500 VanDerWaalsContact O-N 3.13Å
497A80.3Confident79.1Confident15 Ų1564.4 Ų64.412%0.12435%0.348CS..Hα-helixtrans-74.3-37.3176.600000111.7E494 P495 A500 A501 L516 G521E494-A497 PolarHBondContact O-N 2.92Å; P495-A497 PolarHBondContact O-N 3.48Å; A497-A500 PolarHBondContact O-N 3.46Å; A497-A501 VanDerWaalsContact O-CB 3.28Å; A497-A501 WeakPolarHBondContact O-CB 3.35Å; A497-A501 PolarHBondContact O-N 3.46Å; A497-L516 HydrophobicContact CB-CD2 3.81Å; A497-G521 WeakPolarHBondContact CB-O 3.38Å
498A81.6Confident79Confident0 Ų063.6 Ų63.60%035%0.347CS..Hα-helixtrans-63.5-45.6176.100000112.5V485 L488 E494 P495 L502V485-A498 HydrophobicContact CG1-CB 4.49Å; L488-A498 HydrophobicContact CB-CB 3.69Å; L488-A498 HydrophobicContact CD1-CB 3.92Å; L488-A498 HydrophobicContact CG-CB 4.47Å; E494-A498 WeakPolarHBondContact O-CB 3.3Å; E494-A498 PolarHBondContact O-N 2.96Å; P495-A498 PolarHBondContact O-N 3.46Å; A498-L502 WeakPolarHBondContact O-CB 3.39Å; A498-L502 WeakPolarHBondContact O-CG 3.38Å; A498-L502 PolarHBondContact O-N 3.35Å
499E79.6Confident79.1Confident67 Ų6764.8 Ų64.831%0.31335%0.354SS..Hα-helixtrans-65.2-43.8175.7-73.5-177.3-174.200111.5I480 V485 P495 L502 R503I480-E499 HydrophobicContact CD1-CB 3.95Å; I480-E499 HydrophobicContact CD1-CG 4.27Å; I480-E499 WeakPolarHBondContact CD1-O 3.42Å; V485-E499 HydrophobicContact CG1-CG 3.76Å; V485-E499 HydrophobicContact CG2-CG 3.88Å; P495-E499 WeakPolarHBondContact O-CG 3.36Å; P495-E499 PolarHBondContact O-N 3.18Å; E499-L502 PolarHBondContact O-N 3.43Å; E499-R503 VanDerWaalsContact O-CG 3.29Å; E499-R503 WeakPolarHBondContact O-CG 3.32Å; E499-R503 PolarHBondContact O-N 2.89Å
500A77.7Confident79Confident17 Ų1769.1 Ų69.114%0.1437%0.373CS..Hα-helixtrans-63.9-41.7177.500000112.6E496 A497 R503 L504 L523 L528E496-A500 VanDerWaalsContact O-CB 3.27Å; E496-A500 WeakPolarHBondContact O-CB 3.41Å; E496-A500 PolarHBondContact O-N 2.9Å; E496-A500 VanDerWaalsContact O-N 3.13Å; A497-A500 PolarHBondContact O-N 3.46Å; A500-R503 WeakPolarHBondContact O-CB 3.34Å; A500-R503 PolarHBondContact O-N 3.49Å; A500-L504 WeakPolarHBondContact O-CG 3.49Å; A500-L504 PolarHBondContact O-N 2.82Å; A500-L504 VanDerWaalsContact O-N 3.08Å; A500-L523 HydrophobicContact CB-CD1 3.81Å; A500-L528 HydrophobicContact CB-CD2 3.86Å
501A78.6Confident78.9Confident0 Ų060.2 Ų60.20%035%0.346CS..Hα-helixtrans-63.7-43.7176.500000111.7A497 R503 L504 T505 A512 L515 L516 L523A497-A501 VanDerWaalsContact O-CB 3.28Å; A497-A501 WeakPolarHBondContact O-CB 3.35Å; A497-A501 PolarHBondContact O-N 3.46Å; A501-R503 VanDerWaalsContact C-N 3.31Å; A501-R503 PolarHBondContact O-N 3.28Å; A501-L504 PolarHBondContact O-N 2.98Å; A501-T505 WeakPolarHBondContact O-CG2 3.18Å; A501-T505 PolarHBondContact O-N 3.49Å; A501-T505 PolarHBondContact O-OG1 3.36Å; A501-T505 VanDerWaalsContact O-OG1 3.13Å; A501-A512 HydrophobicContact CB-CB 3.9Å; A501-L515 HydrophobicContact CB-CD2 3.86Å; A501-L516 HydrophobicContact CB-CD1 3.81Å; A501-L516 HydrophobicContact CB-CD2 4Å; A501-L516 HydrophobicContact CB-CG 3.69Å; A501-L523 HydrophobicContact CB-CD1 4.03Å
502L79.8Confident79.1Confident2 Ų255.4 Ų55.41%0.0132%0.32CS..Hα-helixtrans-65.8-32.7176.7-74.6168.6000112.4I480 K484 V485 L488 A498 E499 G506 G507 V509 A512I480-L502 HydrophobicContact CG2-CB 4.11Å; I480-L502 HydrophobicContact CG2-CD1 3.96Å; K484-L502 HydrophobicContact CB-CD1 4.1Å; V485-L502 HydrophobicContact CG2-CD1 3.88Å; L488-L502 HydrophobicContact CD1-CD1 3.67Å; L488-L502 HydrophobicContact CD1-CD2 4.1Å; L488-L502 HydrophobicContact CD1-CG 3.64Å; A498-L502 WeakPolarHBondContact O-CB 3.39Å; A498-L502 WeakPolarHBondContact O-CG 3.38Å; A498-L502 PolarHBondContact O-N 3.35Å; E499-L502 PolarHBondContact O-N 3.43Å; L502-G506 PolarHBondContact O-N 3.26Å; L502-G506 VanDerWaalsContact O-N 3.14Å; L502-G507 PolarHBondContact O-N 2.95Å; L502-V509 HydrophobicContact CD2-CG2 4.24Å; L502-A512 HydrophobicContact CD2-CB 3.73Å; L502-A512 HydrophobicContact CG-CB 4.01Å
503R79.2Confident79.3Confident126 Ų12653.7 Ų53.748%0.47530%0.297SS..Hα-helixtrans-63.8-42.8171.7-72.5172.1-176.5-142.7-9.3111.2E477 I480 E499 A500 A501E477-R503 VanDerWaalsContact CD-NH1 3.27Å; E477-R503 IonicContact OE1-CZ 3.54Å; E477-R503 IonicContact OE1-NH1 2.74Å; E477-R503 PolarHBondContact OE1-NH1 3.24Å; E477-R503 IonicContact OE1-NH2 3.75Å; E477-R503 IonicContact OE2-CZ 3.51Å; E477-R503 IonicContact OE2-NH1 3.5Å; E477-R503 IonicContact OE2-NH2 2.8Å; E477-R503 PolarHBondContact OE2-NH2 3.01Å; I480-R503 HydrophobicContact CD1-CG 3.53Å; I480-R503 HydrophobicContact CG1-CG 4.14Å; E499-R503 VanDerWaalsContact O-CG 3.29Å; E499-R503 WeakPolarHBondContact O-CG 3.32Å; E499-R503 PolarHBondContact O-N 2.89Å; A500-R503 WeakPolarHBondContact O-CB 3.34Å; A500-R503 PolarHBondContact O-N 3.49Å; A501-R503 VanDerWaalsContact C-N 3.31Å; A501-R503 PolarHBondContact O-N 3.28Å
504L77.2Confident79.3Confident82 Ų8257.4 Ų57.443%0.42932%0.315SS..Hα-helixtrans-72.1-31.3-179.1-69.1173.3000113.3A500 A501 L515 L523 L527 L528A500-L504 WeakPolarHBondContact O-CG 3.49Å; A500-L504 PolarHBondContact O-N 2.82Å; A500-L504 VanDerWaalsContact O-N 3.08Å; A501-L504 PolarHBondContact O-N 2.98Å; L504-L515 HydrophobicContact CD1-CD2 4.28Å; L504-L523 HydrophobicContact CD1-CD1 4.16Å; L504-L527 HydrophobicContact CD1-CB 4.13Å; L504-L527 VanDerWaalsContact CD2-O 3.32Å; L504-L527 WeakPolarHBondContact CD2-O 3.49Å; L504-L528 HydrophobicContact CD1-CD2 4.19Å
505T76.4Confident79.4Confident41 Ų4153.2 Ų53.225%0.25230%0.297SS..THydrogen-bonded Turntrans-96.17.1179.464.80000113.9A501 G507 D508 A512A501-T505 WeakPolarHBondContact O-CG2 3.18Å; A501-T505 PolarHBondContact O-N 3.49Å; A501-T505 PolarHBondContact O-OG1 3.36Å; A501-T505 VanDerWaalsContact O-OG1 3.13Å; T505-G507 VanDerWaalsContact C-N 3.3Å; T505-G507 PolarHBondContact O-N 3.42Å; T505-D508 PolarHBondContact OG1-O 2.96Å; T505-A512 HydrophobicContact CG2-CB 4.47Å
506G72.7Confident79.8Confident73 Ų7351 Ų5175%0.75328%0.282SS*.THydrogen-bonded Turntrans66.128.5178.600000114.1L502L502-G506 PolarHBondContact O-N 3.26Å; L502-G506 VanDerWaalsContact O-N 3.14Å
507G73.7Confident80Confident18 Ų1848.2 Ų48.219%0.18627%0.272CS..THydrogen-bonded Turntrans85.716.5177.400000115.3K484 L502 T505K484-G507 WeakPolarHBondContact CD-O 3.31Å; K484-G507 PolarHBondContact NZ-O 3.23Å; L502-G507 PolarHBondContact O-N 2.95Å; T505-G507 VanDerWaalsContact C-N 3.3Å; T505-G507 PolarHBondContact O-N 3.42Å
508D79.6Confident80.1Confident83 Ų8352.7 Ų52.744%0.44429%0.293SS..  trans-85.6117.7168.9178.229.8000111.6T505 Q510 G511 A512T505-D508 PolarHBondContact OG1-O 2.96Å; D508-Q510 PolarHBondContact OD1-N 3.06Å; D508-G511 PolarHBondContact OD2-N 2.94Å; D508-A512 VanDerWaalsContact O-CB 3.24Å; D508-A512 WeakPolarHBondContact O-CB 3.47Å; D508-A512 PolarHBondContact O-N 2.93Å
509V82Confident80Confident25 Ų2555.1 Ų55.115%0.15231%0.307CS..Hα-helixtrans-72.2-36.1-175.4-178.90000111.6K484 L488 L502 A512 T513K484-V509 HydrophobicContact CB-CG2 3.78Å; K484-V509 HydrophobicContact CD-CG2 3.94Å; K484-V509 HydrophobicContact CG-CG2 3.83Å; L488-V509 HydrophobicContact CD2-CG1 4.05Å; L488-V509 HydrophobicContact CG-CG1 4.38Å; L502-V509 HydrophobicContact CD2-CG2 4.24Å; V509-A512 PolarHBondContact O-N 3.01Å; V509-T513 WeakPolarHBondContact O-CB 3.45Å; V509-T513 PolarHBondContact O-N 3.38Å; V509-T513 PolarHBondContact O-OG1 3.28Å
510Q82.2Confident79.9Confident161 Ų16160.8 Ų60.875%0.75233%0.333SS*.Hα-helixtrans-70.9-47.1179.6-80.2-179.5-14.900110.7D508 A512 T513 Q514D508-Q510 PolarHBondContact OD1-N 3.06Å; Q510-A512 VanDerWaalsContact C-N 3.33Å; Q510-A512 PolarHBondContact O-N 2.75Å; Q510-T513 PolarHBondContact O-N 3.06Å; Q510-Q514 PolarHBondContact O-N 2.88Å
511G81.8Confident79.4Confident25 Ų2560.8 Ų60.826%0.25834%0.335SS..Hα-helixtrans-57.6-43.817200000112.7D508 Q514 L515D508-G511 PolarHBondContact OD2-N 2.94Å; G511-Q514 PolarHBondContact O-N 3.13Å; G511-L515 WeakPolarHBondContact O-CB 3.4Å; G511-L515 PolarHBondContact O-N 3.44Å
512A82.8Confident79.2Confident0 Ų066.2 Ų66.20%037%0.367CS..Hα-helixtrans-65.4-39.2178.500000112.5L488 A501 L502 T505 D508 V509 Q510 L515 L516L488-A512 HydrophobicContact CD1-CB 3.94Å; A501-A512 HydrophobicContact CB-CB 3.9Å; L502-A512 HydrophobicContact CD2-CB 3.73Å; L502-A512 HydrophobicContact CG-CB 4.01Å; T505-A512 HydrophobicContact CG2-CB 4.47Å; D508-A512 VanDerWaalsContact O-CB 3.24Å; D508-A512 WeakPolarHBondContact O-CB 3.47Å; D508-A512 PolarHBondContact O-N 2.93Å; V509-A512 PolarHBondContact O-N 3.01Å; Q510-A512 VanDerWaalsContact C-N 3.33Å; Q510-A512 PolarHBondContact O-N 2.75Å; A512-L515 PolarHBondContact O-N 3.39Å; A512-L516 WeakPolarHBondContact O-CB 3.44Å; A512-L516 VanDerWaalsContact O-CG 3.27Å; A512-L516 WeakPolarHBondContact O-CG 3.39Å; A512-L516 PolarHBondContact O-N 3.12Å
513T82Confident79.1Confident28 Ų2866.9 Ų66.917%0.17237%0.371CS..Hα-helixtrans-62.8-45.9175.6-55.50000110.9L488 L491 F493 V509 Q510 L516 L517L488-T513 WeakPolarHBondContact CD2-OG1 3.38Å; L491-T513 HydrophobicContact CD1-CG2 4.36Å; F493-T513 HydrophobicContact CE2-CG2 4.07Å; F493-T513 HydrophobicContact CZ-CG2 4.38Å; V509-T513 WeakPolarHBondContact O-CB 3.45Å; V509-T513 PolarHBondContact O-N 3.38Å; V509-T513 PolarHBondContact O-OG1 3.28Å; Q510-T513 PolarHBondContact O-N 3.06Å; T513-L516 PolarHBondContact O-N 2.62Å; T513-L517 HydrophobicContact CG2-CD1 4.03Å; T513-L517 HydrophobicContact CG2-CG 4.42Å; T513-L517 WeakPolarHBondContact O-CB 3.43Å; T513-L517 VanDerWaalsContact O-CG 3.3Å; T513-L517 WeakPolarHBondContact O-CG 3.48Å; T513-L517 PolarHBondContact O-N 3.2Å
514Q82.6Confident78.7Confident106 Ų10662.6 Ų62.650%0.49536%0.36SS..Hα-helixtrans-63.9-45.3179.7-166.466.435.700111.1Q510 G511 L516 L517 D518Q510-Q514 PolarHBondContact O-N 2.88Å; G511-Q514 PolarHBondContact O-N 3.13Å; Q514-L516 VanDerWaalsContact C-N 3.29Å; Q514-L516 PolarHBondContact O-N 3.29Å; Q514-L517 PolarHBondContact O-N 2.99Å; Q514-D518 PolarHBondContact NE2-OD1 3.34Å; Q514-D518 WeakPolarHBondContact O-CB 3.44Å; Q514-D518 PolarHBondContact O-N 3.38Å
515L82.3Confident77.8Confident45 Ų4563.1 Ų63.124%0.23637%0.368CS..Hα-helixtrans-58.6-40.5176.5-170.8105.5000111.7A501 L504 G511 A512 N519 L523A501-L515 HydrophobicContact CB-CD2 3.86Å; L504-L515 HydrophobicContact CD1-CD2 4.28Å; G511-L515 WeakPolarHBondContact O-CB 3.4Å; G511-L515 PolarHBondContact O-N 3.44Å; A512-L515 PolarHBondContact O-N 3.39Å; L515-N519 PolarHBondContact O-N 2.96Å; L515-N519 PolarHBondContact O-ND2 3.34Å; L515-L523 HydrophobicContact CD2-CD1 4.15Å; L515-L523 HydrophobicContact CD2-CD2 3.42Å; L515-L523 VanDerWaalsContact CD2-CD2 3.42Å; L515-L523 HydrophobicContact CD2-CG 4.44Å; L515-L523 HydrophobicContact CG-CD2 3.99Å
516L85.3Confident77.1Confident0 Ų068.8 Ų68.80%039%0.391CS..Hα-helixtrans-71.8-39.8176.7-72.7167.7000112.6L488 F493 A497 A501 A512 T513 Q514 N519 Q520 G521 L523L488-L516 HydrophobicContact CD1-CD1 4.35Å; F493-L516 HydrophobicContact CB-CD1 4.14Å; F493-L516 HydrophobicContact CD1-CB 3.86Å; F493-L516 HydrophobicContact CD1-CD1 4.14Å; F493-L516 HydrophobicContact CD1-CG 4.49Å; F493-L516 HydrophobicContact CD2-CD1 4.26Å; F493-L516 HydrophobicContact CE1-CB 3.73Å; F493-L516 HydrophobicContact CG-CB 4.42Å; F493-L516 HydrophobicContact CG-CD1 3.92Å; F493-L516 HydrophobicContact CZ-CB 4.21Å; A497-L516 HydrophobicContact CB-CD2 3.81Å; A501-L516 HydrophobicContact CB-CD1 3.81Å; A501-L516 HydrophobicContact CB-CD2 4Å; A501-L516 HydrophobicContact CB-CG 3.69Å; A512-L516 WeakPolarHBondContact O-CB 3.44Å; A512-L516 VanDerWaalsContact O-CG 3.27Å; A512-L516 WeakPolarHBondContact O-CG 3.39Å; A512-L516 PolarHBondContact O-N 3.12Å; T513-L516 PolarHBondContact O-N 2.62Å; Q514-L516 VanDerWaalsContact C-N 3.29Å; Q514-L516 PolarHBondContact O-N 3.29Å; L516-N519 CarbonylContact O-C 3.58Å; L516-N519 PolarHBondContact O-N 3.27Å; L516-Q520 PolarHBondContact O-N 3.09Å; L516-Q520 VanDerWaalsContact O-N 3.1Å; L516-G521 PolarHBondContact O-N 3.23Å; L516-L523 HydrophobicContact CD2-CD1 4.46Å; L516-L523 HydrophobicContact CD2-CD2 4.18Å; L516-L523 HydrophobicContact CD2-CG 4.11Å
517L83.5Confident76.5Confident98 Ų9869.2 Ų69.251%0.51338%0.376SS..Hα-helixtrans-63.4-44.8176.4-74.3171.9000111.8F493 T513 Q514 N519 Q520F493-L517 HydrophobicContact CE1-CD2 4.3Å; F493-L517 HydrophobicContact CZ-CD2 3.82Å; F493-L517 HydrophobicContact CZ-CG 3.98Å; T513-L517 HydrophobicContact CG2-CD1 4.03Å; T513-L517 HydrophobicContact CG2-CG 4.42Å; T513-L517 WeakPolarHBondContact O-CB 3.43Å; T513-L517 VanDerWaalsContact O-CG 3.3Å; T513-L517 WeakPolarHBondContact O-CG 3.48Å; T513-L517 PolarHBondContact O-N 3.2Å; Q514-L517 PolarHBondContact O-N 2.99Å; L517-N519 PolarHBondContact O-N 3.15Å; L517-Q520 PolarHBondContact O-N 2.99Å; L517-Q520 VanDerWaalsContact O-N 3.14Å
518D81.6Confident75.8Confident109 Ų10972.9 Ų72.958%0.58339%0.391SS*.Hα-helixtrans-64.2-27-179.3-67.2-13.5000111.6Q514Q514-D518 PolarHBondContact NE2-OD1 3.34Å; Q514-D518 WeakPolarHBondContact O-CB 3.44Å; Q514-D518 PolarHBondContact O-N 3.38Å
519N79.3Confident74.1Confident52 Ų5272.5 Ų72.528%0.27840%0.395SS..THydrogen-bonded Turntrans-105.719.6178.1-65.2-81.9000113.6L515 L516 L517 G521 V522 L523 P524L515-N519 PolarHBondContact O-N 2.96Å; L515-N519 PolarHBondContact O-ND2 3.34Å; L516-N519 CarbonylContact O-C 3.58Å; L516-N519 PolarHBondContact O-N 3.27Å; L517-N519 PolarHBondContact O-N 3.15Å; N519-G521 PolarHBondContact O-N 3.39Å; N519-G521 VanDerWaalsContact O-N 3.09Å; N519-V522 WeakPolarHBondContact CB-O 3.41Å; N519-V522 PolarHBondContact O-N 2.87Å; N519-V522 VanDerWaalsContact O-N 3.1Å; N519-V522 VanDerWaalsContact O-O 3.1Å; N519-L523 HydrophobicContact CB-CD2 4.39Å; N519-P524 WeakPolarHBondContact OD1-CD 3.31Å
520Q77.3Confident72.2Confident186 Ų18677.6 Ų77.687%0.86943%0.429SS*.THydrogen-bonded Turntrans52.532.7177.1-57.117822.300114.4L516 L517L516-Q520 PolarHBondContact O-N 3.09Å; L516-Q520 VanDerWaalsContact O-N 3.1Å; L517-Q520 PolarHBondContact O-N 2.99Å; L517-Q520 VanDerWaalsContact O-N 3.14Å
521G68Low69.7Low17 Ų1774.9 Ų74.918%0.17543%0.427CS..THydrogen-bonded Turntrans84.30.9177.500000115.6A497 L516 N519A497-G521 WeakPolarHBondContact CB-O 3.38Å; L516-G521 PolarHBondContact O-N 3.23Å; N519-G521 PolarHBondContact O-N 3.39Å; N519-G521 VanDerWaalsContact O-N 3.09Å
522V75.1Confident67.5Low113 Ų11378.9 Ų78.969%0.68545%0.449SS*.  trans-129.8118.5179.6-176.40000110.4N519N519-V522 WeakPolarHBondContact CB-O 3.41Å; N519-V522 PolarHBondContact O-N 2.87Å; N519-V522 VanDerWaalsContact O-N 3.1Å; N519-V522 VanDerWaalsContact O-O 3.1Å
523L75.6Confident65.1Low16 Ų1685.4 Ų85.48%0.08449%0.491CS..  trans-80131.2-178-63.6174.9000111.9A500 A501 L504 L515 L516 N519A500-L523 HydrophobicContact CB-CD1 3.81Å; A501-L523 HydrophobicContact CB-CD1 4.03Å; L504-L523 HydrophobicContact CD1-CD1 4.16Å; L515-L523 HydrophobicContact CD2-CD1 4.15Å; L515-L523 HydrophobicContact CD2-CD2 3.42Å; L515-L523 VanDerWaalsContact CD2-CD2 3.42Å; L515-L523 HydrophobicContact CD2-CG 4.44Å; L515-L523 HydrophobicContact CG-CD2 3.99Å; L516-L523 HydrophobicContact CD2-CD1 4.46Å; L516-L523 HydrophobicContact CD2-CD2 4.18Å; L516-L523 HydrophobicContact CD2-CG 4.11Å; N519-L523 HydrophobicContact CB-CD2 4.39Å
524P72.7Confident62.5Low37 Ų3789.4 Ų89.424%0.2452%0.52CS..  trans-59140.5175.3-2431.8000112.6N519 E526 L527N519-P524 WeakPolarHBondContact OD1-CD 3.31Å; P524-E526 PolarHBondContact O-N 3.32Å; P524-E526 VanDerWaalsContact O-N 3.12Å; P524-L527 PolarHBondContact O-N 2.86Å
525P58.4Low60Low93 Ų9389.5 Ų89.560%0.60453%0.533SS*.THydrogen-bonded Turntrans-63.2-19-179.623.2-31.5000113.8L527 L528 S529P525-L527 VanDerWaalsContact C-N 3.3Å; P525-L527 PolarHBondContact O-N 2.95Å; P525-L528 PolarHBondContact O-N 3.32Å; P525-S529 PolarHBondContact O-OG 3.42Å
526E60.3Low57.5Low159 Ų15995 Ų9574%0.74356%0.561SS**THydrogen-bonded Turntrans-67.2-27.8173.7-64.6116.4-172.900113.1P524P524-E526 PolarHBondContact O-N 3.32Å; P524-E526 VanDerWaalsContact O-N 3.12Å
527L60.1Low54.8Low83 Ų83100.8 Ų100.844%0.43560%0.602SS.*THydrogen-bonded Turntrans-82.9-16.5178-64.6179.9000113.2L504 P524 P525L504-L527 HydrophobicContact CD1-CB 4.13Å; L504-L527 VanDerWaalsContact CD2-O 3.32Å; L504-L527 WeakPolarHBondContact CD2-O 3.49Å; P524-L527 PolarHBondContact O-N 2.86Å; P525-L527 VanDerWaalsContact C-N 3.3Å; P525-L527 PolarHBondContact O-N 2.95Å
528L58.4Low52.4Low94 Ų94104.8 Ų104.849%0.49262%0.618SS.*SBendtrans-95.9-0.2-176.1-60.9173.3000113.1A500 L504 P525A500-L528 HydrophobicContact CB-CD2 3.86Å; L504-L528 HydrophobicContact CD1-CD2 4.19Å; P525-L528 PolarHBondContact O-N 3.32Å
529S44.5Very low49.8Very low76 Ų76107.8 Ų107.853%0.53163%0.629SS.*  trans-104.8123.5-174.7-57.30000111.4P525 S531P525-S529 PolarHBondContact O-OG 3.42Å; S529-S531 PolarHBondContact O-N 3.38Å
530P41.8Very low47.6Very low132 Ų132110.9 Ų110.986%0.85765%0.652SS**  trans-80.2108.2172.630.4-28.3000108.7
531S31.2Very low45.2Very low103 Ų103107.7 Ų107.772%0.7265%0.65SS**  trans-136.2145.6170-73.40000110.2S529S529-S531 PolarHBondContact O-N 3.38Å
532P34Very low43.5Very low109 Ų109113 Ų11371%0.70868%0.679SS**  trans-69.6149.7-168.630.6-34.6000110.6S534P532-S534 PolarHBondContact O-N 2.79Å
533P32.8Very low41.4Very low138 Ų138112.9 Ų112.990%0.89668%0.683SS**  trans-75106.1-176.229-31.4000110.3
534S27.9Very low39.3Very low112 Ų112117.4 Ų117.478%0.78372%0.716SS**  trans-89.3121.1154.7-74.60000109P532P532-S534 PolarHBondContact O-N 2.79Å
535S29.5Very low37.3Very low108 Ų108125.1 Ų125.176%0.75575%0.749SS**  trans-19.3135.4160.1410000118.1
536L29.4Very low36.4Very low159 Ų159126.3 Ų126.383%0.83276%0.759SS**  -169.5116.4123.3-94.7172.9000110
537S29.1Very low35.3Very low123 Ų123123.4 Ų123.486%0.8676%0.763SS**  trans-156.5104.6151.7-72.60000106.9
538E32.3Very low33.9Very low182 Ų182123.1 Ų123.185%0.8578%0.78SS**  trans-75.8116.3168-70.2-169.6152.400108.9
539E28.6Very low33.2Very low172 Ų172124.8 Ų124.880%0.80480%0.799SS**  trans-144.7136.3156.5-85.6-79.4147.700106.3S541E539-S541 PolarHBondContact O-N 2.85Å
540P32.3Very low32.5Very low117 Ų117123.9 Ų123.976%0.7680%0.802SS**  trans-81.3116.9-17132.4-30.2000109
541S26Very low32.7Very low119 Ų119123.8 Ų123.883%0.83280%0.804SS**  trans-141.3123166.2-77.50000110.2E539E539-S541 PolarHBondContact O-N 2.85Å
542T33.1Very low33Very low128 Ų128127.5 Ų127.579%0.78581%0.811SS**  trans-65.6153.7-179.459.50000110.4
543S30.4Very low33.5Very low111 Ų111125.9 Ų125.978%0.77681%0.814SS**  trans70.7110.3169.444.70000117.8
544S32.5Very low34.6Very low111 Ų111122.8 Ų122.878%0.77679%0.787SS**  157.3109.7101.244.10000109.8S546S544-S546 PolarHBondContact O-N 3.2Å
545E30.1Very low36.5Very low198 Ų198121.1 Ų121.193%0.92577%0.769SS**  trans-78.2113.4172.9-65.6-153.5175.300109.6
546S40.5Very low38.4Very low118 Ų118120.3 Ų120.383%0.82576%0.762SS**  trans-118.2103.8158.9-58.80000106.2S544S544-S546 PolarHBondContact O-N 3.2Å
547A36Very low40.4Very low98 Ų98118.7 Ų118.781%0.8175%0.751SS**  trans-144.5127.9171.600000111.3
548G30.5Very low42.9Very low77 Ų77115.8 Ų115.879%0.79473%0.726SS**  trans90.780.9134.700000118.2G550G548-G550 PolarHBondContact O-N 2.67Å
549S44.6Very low45.3Very low129 Ų129109.5 Ų109.590%0.90270%0.7SS**  trans-58.8110.5152.4175.60000110.1
550G30.4Very low47.8Very low57 Ų57106 Ų10659%0.58869%0.687SS**  trans179101.3172.200000112.1G548 Q552G548-G550 PolarHBondContact O-N 2.67Å; G550-Q552 PolarHBondContact O-N 2.9Å
551S45.4Very low50.3Low130 Ų130100.8 Ų100.891%0.90965%0.653SS**  trans-12.783.916958.70000117.1
552Q36.7Very low53.2Low182 Ų18295.2 Ų95.285%0.8561%0.614SS**SBendtrans-124.8144.2148.2-70.6-169.9-17.700105.2G550 E554G550-Q552 PolarHBondContact O-N 2.9Å; Q552-E554 PolarHBondContact O-N 2.83Å
553G45.1Very low55.7Low75 Ų7592.9 Ų92.977%0.77360%0.596SS**  trans-44.1139-169.700000112.7D555G553-D555 PolarHBondContact O-N 2.95Å
554E55.8Low58.3Low73 Ų7389.9 Ų89.934%0.34157%0.57SS.*  trans-45.8134.2176.3-64.2-169.4147.500109.2R194 Q552 P556 V559R194-E554 IonicContact CZ-OE1 3.78Å; R194-E554 IonicContact NE-OE1 3.3Å; R194-E554 IonicContact NH2-OE1 3.62Å; R194-E554 PolarHBondContact NH2-OE1 2.96Å; R194-E554 IonicContact NH2-OE2 2.82Å; R194-E554 PolarHBondContact NH2-OE2 3.27Å; Q552-E554 PolarHBondContact O-N 2.83Å; E554-P556 WeakPolarHBondContact O-CD 3.35Å; E554-P556 VanDerWaalsContact O-N 3.12Å; E554-V559 HydrophobicContact CB-CG2 3.64Å; E554-V559 WeakPolarHBondContact OE2-CG2 3.27Å
555D68.4Low60.9Low76 Ų7684.6 Ų84.641%0.40653%0.533SS..  trans-50.9125.1175.5-172.7-28.6000106.8G553 M557 D558 V559G553-D555 PolarHBondContact O-N 2.95Å; D555-M557 PolarHBondContact O-N 3.38Å; D555-M557 PolarHBondContact OD1-N 3.25Å; D555-D558 HydrophobicContact CB-CB 4.35Å; D555-D558 WeakPolarHBondContact O-CA 3.37Å; D555-D558 WeakPolarHBondContact O-CB 3.2Å; D555-D558 PolarHBondContact O-N 2.96Å; D555-V559 PolarHBondContact O-N 3.19Å
556P68.4Low63.7Low92 Ų9277.9 Ų77.960%0.59750%0.503SS*.Hα-helixtrans-48.4-31.9178.4-28.533.7000112.6E554 V559 D560E554-P556 WeakPolarHBondContact O-CD 3.35Å; E554-P556 VanDerWaalsContact O-N 3.12Å; P556-V559 PolarHBondContact O-N 2.86Å; P556-D560 VanDerWaalsContact O-CG 3.29Å; P556-D560 PolarHBondContact O-N 2.92Å
557M72.4Confident65.9Low124 Ų12480 Ų8061%0.61150%0.5SS*.Hα-helixtrans-65.9-37.1174.6-73.8-171.4-87.200113.8D555 D560 L561D555-M557 PolarHBondContact O-N 3.38Å; D555-M557 PolarHBondContact OD1-N 3.25Å; M557-D560 PolarHBondContact O-N 3.42Å; M557-L561 WeakPolarHBondContact O-CB 3.44Å; M557-L561 WeakPolarHBondContact O-CG 3.31Å; M557-L561 PolarHBondContact O-N 3.39Å
558D81.6Confident68.2Low63 Ų6375.9 Ų75.934%0.33747%0.465SS..Hα-helixtrans-70-38.1177.8-75.9-11.1000111.2I190 D555 L561 V562I190-D558 HydrophobicContact CD1-CB 3.85Å; D555-D558 HydrophobicContact CB-CB 4.35Å; D555-D558 WeakPolarHBondContact O-CA 3.37Å; D555-D558 WeakPolarHBondContact O-CB 3.2Å; D555-D558 PolarHBondContact O-N 2.96Å; D558-L561 PolarHBondContact O-N 3.21Å; D558-V562 VanDerWaalsContact O-CG2 3.31Å; D558-V562 WeakPolarHBondContact O-CG2 3.18Å; D558-V562 PolarHBondContact O-N 2.82Å
559V81.5Confident70.8Confident49 Ų4974.8 Ų74.830%0.29744%0.44SS..Hα-helixtrans-62-46173.8-179.10000110.6E554 D555 P556 L561 V562 N563E554-V559 HydrophobicContact CB-CG2 3.64Å; E554-V559 WeakPolarHBondContact OE2-CG2 3.27Å; D555-V559 PolarHBondContact O-N 3.19Å; P556-V559 PolarHBondContact O-N 2.86Å; V559-L561 PolarHBondContact O-N 3.11Å; V559-V562 PolarHBondContact O-N 3.14Å; V559-N563 WeakPolarHBondContact O-CB 3.32Å; V559-N563 VanDerWaalsContact O-CG 3.27Å; V559-N563 PolarHBondContact O-N 3.13Å; V559-N563 PolarHBondContact O-ND2 2.88Å
560D81.9Confident72.7Confident98 Ų9870.2 Ų70.252%0.52441%0.407SS..Hα-helixtrans-62.2-41.8177.8-74.2-15.6000112.1P556 M557 N563 E564P556-D560 VanDerWaalsContact O-CG 3.29Å; P556-D560 PolarHBondContact O-N 2.92Å; M557-D560 PolarHBondContact O-N 3.42Å; D560-N563 PolarHBondContact O-N 3.02Å; D560-E564 WeakPolarHBondContact O-CB 3.41Å; D560-E564 PolarHBondContact O-N 2.99Å
561L85.9Confident75Confident9 Ų980 Ų805%0.04743%0.426CS..Hα-helixtrans-64.1-41.6177.1-73.6168.9000112.3R183 K186 I190 M557 D558 V559 V565R183-L561 HydrophobicContact CB-CD2 3.58Å; R183-L561 HydrophobicContact CG-CD2 3.63Å; R183-L561 VanDerWaalsContact CZ-CD2 3.46Å; K186-L561 HydrophobicContact CB-CD1 4.07Å; K186-L561 HydrophobicContact CD-CD1 4.32Å; I190-L561 HydrophobicContact CD1-CD1 4.43Å; M557-L561 WeakPolarHBondContact O-CB 3.44Å; M557-L561 WeakPolarHBondContact O-CG 3.31Å; M557-L561 PolarHBondContact O-N 3.39Å; D558-L561 PolarHBondContact O-N 3.21Å; V559-L561 PolarHBondContact O-N 3.11Å; L561-V565 PolarHBondContact O-N 3.3Å
562V85.8Confident76.6Confident2 Ų274.7 Ų74.71%0.01239%0.387CS..Hα-helixtrans-65.9-45.2176.8169.60000110.7I190 L191 P204 D558 V559 E564 V565 L566I190-V562 HydrophobicContact CB-CG2 4.06Å; I190-V562 HydrophobicContact CD1-CG2 4.43Å; I190-V562 HydrophobicContact CG2-CG2 3.65Å; L191-V562 HydrophobicContact CD1-CG1 4.44Å; L191-V562 HydrophobicContact CD2-CG1 3.74Å; L191-V562 HydrophobicContact CD2-CG2 4.46Å; L191-V562 HydrophobicContact CG-CG1 4.15Å; L191-V562 HydrophobicContact CG-CG2 4.31Å; P204-V562 HydrophobicContact CG-CG1 3.83Å; D558-V562 VanDerWaalsContact O-CG2 3.31Å; D558-V562 WeakPolarHBondContact O-CG2 3.18Å; D558-V562 PolarHBondContact O-N 2.82Å; V559-V562 PolarHBondContact O-N 3.14Å; V562-E564 VanDerWaalsContact C-N 3.31Å; V562-E564 PolarHBondContact O-N 3.31Å; V562-V565 WeakPolarHBondContact O-CG2 3.46Å; V562-V565 PolarHBondContact O-N 3.44Å; V562-L566 HydrophobicContact CG1-CD1 3.76Å; V562-L566 HydrophobicContact CG1-CG 4.18Å; V562-L566 VanDerWaalsContact O-CG 3.23Å; V562-L566 WeakPolarHBondContact O-CG 3.24Å; V562-L566 PolarHBondContact O-N 3.4Å
563N85.1Confident78.5Confident79 Ų7973 Ų7342%0.42238%0.379SS..Hα-helixtrans-60.8-41.6178-72.2-29000111.9V559 D560 V565 L566 E567V559-N563 WeakPolarHBondContact O-CB 3.32Å; V559-N563 VanDerWaalsContact O-CG 3.27Å; V559-N563 PolarHBondContact O-N 3.13Å; V559-N563 PolarHBondContact O-ND2 2.88Å; D560-N563 PolarHBondContact O-N 3.02Å; N563-V565 PolarHBondContact O-N 3.04Å; N563-L566 PolarHBondContact O-N 3.26Å; N563-E567 PolarHBondContact O-N 2.96Å
564E85.9Confident80.3Confident48 Ų4870.8 Ų70.822%0.22435%0.349CS..Hα-helixtrans-56.6-49.6176-175-174.8160.700111.8R183 K235 D560 V562 L566 E567R183-E564 IonicContact CZ-OE2 2.6Å; R183-E564 IonicContact NE-OE2 3.95Å; R183-E564 PolarHBondContact NE-OE2 2.98Å; R183-E564 IonicContact NH2-OE2 3.49Å; R183-E564 PolarHBondContact NH2-OE2 3.02Å; K235-E564 IonicContact NZ-OE1 2.93Å; D560-E564 WeakPolarHBondContact O-CB 3.41Å; D560-E564 PolarHBondContact O-N 2.99Å; V562-E564 VanDerWaalsContact C-N 3.31Å; V562-E564 PolarHBondContact O-N 3.31Å; E564-L566 VanDerWaalsContact C-N 3.34Å; E564-L566 PolarHBondContact O-N 3.33Å; E564-E567 PolarHBondContact O-N 3.17Å
565V87.8Confident81.8Confident0 Ų068.6 Ų68.60%034%0.339CS..Hα-helixtrans-71.3-29.3-178-63.30000112.8T184 F188 L191 L561 V562 N563 E567 D568 I569T184-V565 HydrophobicContact CG2-CG1 4.48Å; F188-V565 HydrophobicContact CD2-CB 4.09Å; F188-V565 HydrophobicContact CD2-CG1 3.88Å; F188-V565 HydrophobicContact CE1-CB 4.27Å; F188-V565 HydrophobicContact CE1-CG2 4.44Å; F188-V565 HydrophobicContact CE2-CB 3.67Å; F188-V565 HydrophobicContact CE2-CG1 3.77Å; F188-V565 HydrophobicContact CZ-CB 3.76Å; F188-V565 HydrophobicContact CZ-CG1 4.38Å; F188-V565 HydrophobicContact CZ-CG2 4.41Å; L191-V565 HydrophobicContact CD1-CG2 3.63Å; L561-V565 PolarHBondContact O-N 3.3Å; V562-V565 WeakPolarHBondContact O-CG2 3.46Å; V562-V565 PolarHBondContact O-N 3.44Å; N563-V565 PolarHBondContact O-N 3.04Å; V565-E567 VanDerWaalsContact C-N 3.29Å; V565-E567 PolarHBondContact O-N 3.08Å; V565-D568 PolarHBondContact O-N 3.44Å; V565-I569 WeakPolarHBondContact O-CG1 3.49Å; V565-I569 PolarHBondContact O-N 3.05Å
566L87.1Confident82.9Confident57 Ų5766.7 Ų66.730%0.29833%0.327SS..Hα-helixtrans-68-28.3176.4-71.3175.2000112.7L191 P204 V562 N563 E564 D568 I569L191-L566 HydrophobicContact CD1-CD2 4.16Å; P204-L566 HydrophobicContact CB-CD1 3.99Å; P204-L566 HydrophobicContact CG-CD1 3.57Å; V562-L566 HydrophobicContact CG1-CD1 3.76Å; V562-L566 HydrophobicContact CG1-CG 4.18Å; V562-L566 VanDerWaalsContact O-CG 3.23Å; V562-L566 WeakPolarHBondContact O-CG 3.24Å; V562-L566 PolarHBondContact O-N 3.4Å; N563-L566 PolarHBondContact O-N 3.26Å; E564-L566 VanDerWaalsContact C-N 3.34Å; E564-L566 PolarHBondContact O-N 3.33Å; L566-D568 PolarHBondContact O-N 3.29Å; L566-I569 HydrophobicContact CD2-CD1 3.9Å; L566-I569 PolarHBondContact O-N 3.01Å
567E86.8Confident84Confident162 Ų16262.3 Ų62.376%0.75730%0.298SS*.Hα-helixtrans-66.3-27.7173.9-71.3-176.5178.600112.8N563 E564 V565N563-E567 PolarHBondContact O-N 2.96Å; E564-E567 PolarHBondContact O-N 3.17Å; V565-E567 VanDerWaalsContact C-N 3.29Å; V565-E567 PolarHBondContact O-N 3.08Å
568D84.9Confident85Confident12 Ų1257.8 Ų57.86%0.06428%0.277CS..Hα-helixtrans-85.9-15.3179.4-57.1-66.1000112.9K235 A238 V565 L566 P570K235-D568 HydrophobicContact CD-CB 4.09Å; K235-D568 WeakPolarHBondContact CD-OD2 3.29Å; K235-D568 WeakPolarHBondContact CE-OD2 3.44Å; K235-D568 VanDerWaalsContact NZ-CG 3.28Å; K235-D568 IonicContact NZ-OD1 3.41Å; K235-D568 PolarHBondContact NZ-OD1 2.97Å; K235-D568 IonicContact NZ-OD2 3.54Å; K235-D568 PolarHBondContact NZ-OD2 3.39Å; A238-D568 HydrophobicContact CB-CB 4.38Å; V565-D568 PolarHBondContact O-N 3.44Å; L566-D568 PolarHBondContact O-N 3.29Å; D568-P570 WeakPolarHBondContact O-CD 3.32Å
569I86.3Confident85.4Confident54 Ų5456.2 Ų56.228%0.27727%0.268SS..SBendtrans-76.1123176.7-60178.3000109.3F188 L206 V565 L566F188-I569 HydrophobicContact CE1-CD1 3.89Å; F188-I569 HydrophobicContact CE1-CG1 4.22Å; F188-I569 HydrophobicContact CZ-CD1 4.34Å; F188-I569 HydrophobicContact CZ-CG1 4.18Å; L206-I569 HydrophobicContact CD1-CD1 4.49Å; L206-I569 HydrophobicContact CD2-CD1 3.99Å; V565-I569 WeakPolarHBondContact O-CG1 3.49Å; V565-I569 PolarHBondContact O-N 3.05Å; L566-I569 HydrophobicContact CD2-CD1 3.9Å; L566-I569 PolarHBondContact O-N 3.01Å
570P83.6Confident85.9Confident33 Ų3357.1 Ų57.121%0.21427%0.274CS..  trans-61.7141178.2-21.231.8000112.3E234 D568 H572 D575E234-P570 WeakPolarHBondContact OE2-CG 3.47Å; D568-P570 WeakPolarHBondContact O-CD 3.32Å; P570-H572 WeakPolarHBondContact CB-O 3.43Å; P570-H572 PolarHBondContact O-N 3.37Å; P570-D575 HydrophobicContact CB-CB 3.55Å; P570-D575 HydrophobicContact CG-CB 4.12Å
571R78.1Confident86.4Confident261 Ų26152.7 Ų52.799%0.98525%0.25SC*.SBendtrans-70.4-16.4171.7-64.5-176.5-179.2176.70.3113
572H79.1Confident86.8Confident20 Ų2058 Ų589%0.09328%0.275CS..SBendtrans-122.6122.4-177.5-164.4-69.1000109.2R411 P570 E574 D575R411-H572 PolarHBondContact NH1-CD2 2.88Å; R411-H572 PolarHBondContact NH2-CD2 2.92Å; R411-H572 PolarHBondContact NH2-CE1 3.36Å; R411-H572 PolarHBondContact NH2-NE2 3.22Å; P570-H572 WeakPolarHBondContact CB-O 3.43Å; P570-H572 PolarHBondContact O-N 3.37Å; H572-E574 IonicContact CE1-OE2 3.43Å; H572-E574 PolarHBondContact ND1-N 3.49Å; H572-E574 PolarHBondContact O-N 2.95Å; H572-E574 VanDerWaalsContact O-N 3.14Å; H572-D575 HydrophobicContact CB-CB 4.38Å; H572-D575 WeakPolarHBondContact O-CB 3.35Å; H572-D575 PolarHBondContact O-N 3.34Å
573E76.7Confident87.1Confident146 Ų14659.7 Ų59.768%0.68228%0.282SS*.THydrogen-bonded Turntrans-58-31.4-176.2-66164.3-154.800113.2Y576E573-Y576 WeakPolarHBondContact O-CD1 3.46Å; E573-Y576 WeakPolarHBondContact O-CE1 3.27Å
574E83.8Confident87.6Confident28 Ų2856.1 Ų56.113%0.13126%0.263CS..THydrogen-bonded Turntrans-94.914.9179.7-52.9179.9155.500113.7K322 R327 L388 H572 Y576 L577K322-E574 IonicContact NZ-OE1 2.6Å; R327-E574 IonicContact CZ-OE1 2.65Å; R327-E574 VanDerWaalsContact CZ-OE1 3.23Å; R327-E574 IonicContact CZ-OE2 3.51Å; R327-E574 IonicContact NE-OE2 3.28Å; R327-E574 IonicContact NH1-OE1 3.66Å; R327-E574 PolarHBondContact NH1-OE1 2.91Å; R327-E574 IonicContact NH1-OE2 2.74Å; R327-E574 PolarHBondContact NH1-OE2 3.24Å; R327-E574 IonicContact NH2-OE1 3.22Å; L388-E574 HydrophobicContact CD1-CB 4.23Å; H572-E574 IonicContact CE1-OE2 3.43Å; H572-E574 PolarHBondContact ND1-N 3.49Å; H572-E574 PolarHBondContact O-N 2.95Å; H572-E574 VanDerWaalsContact O-N 3.14Å; E574-Y576 PolarHBondContact O-N 3.5Å; E574-Y576 VanDerWaalsContact O-N 3.14Å; E574-L577 HydrophobicContact CB-CD1 4.26Å; E574-L577 WeakPolarHBondContact O-CB 3.44Å; E574-L577 PolarHBondContact O-N 2.9Å
575D87.7Confident88.1Confident27 Ų2755.8 Ų55.814%0.14427%0.266CS..G310 helixtrans-57-29.1-179.7177.870.7000112.7K241 Q384 P570 H572 L577 D578K241-D575 IonicContact NZ-OD1 2.67Å; K241-D575 PolarHBondContact NZ-OD1 3.3Å; K241-D575 IonicContact NZ-OD2 2.68Å; K241-D575 PolarHBondContact NZ-OD2 3.06Å; Q384-D575 PolarHBondContact NE2-OD1 3.5Å; P570-D575 HydrophobicContact CB-CB 3.55Å; P570-D575 HydrophobicContact CG-CB 4.12Å; H572-D575 HydrophobicContact CB-CB 4.38Å; H572-D575 WeakPolarHBondContact O-CB 3.35Å; H572-D575 PolarHBondContact O-N 3.34Å; D575-L577 PolarHBondContact O-N 2.92Å; D575-D578 PolarHBondContact O-N 3.06Å; D575-D578 VanDerWaalsContact O-N 3.13Å
576Y90.3Very high88.4Confident36 Ų3660.9 Ų60.914%0.14129%0.29CS..G310 helixtrans-68.8-15.4174.875.7-82.9000114.5R237 D271 V275 L331 E573 E574R237-Y576 VanDerWaalsContact CZ-CB 3.45Å; R237-Y576 VanDerWaalsContact NH1-CB 3.27Å; D271-Y576 PolarHBondContact OD2-OH 2.7Å; V275-Y576 HydrophobicContact CG1-CD2 4.05Å; V275-Y576 HydrophobicContact CG2-CD2 4.32Å; V275-Y576 HydrophobicContact CG2-CE2 3.97Å; L331-Y576 HydrophobicContact CD1-CE2 4.24Å; L331-Y576 HydrophobicContact CD2-CD2 4.38Å; E573-Y576 WeakPolarHBondContact O-CD1 3.46Å; E573-Y576 WeakPolarHBondContact O-CE1 3.27Å; E574-Y576 PolarHBondContact O-N 3.5Å; E574-Y576 VanDerWaalsContact O-N 3.14Å
577L92.3Very high88.8Confident0 Ų058.3 Ų58.30%028%0.276CS..G310 helixtrans-93.2-11.4174.2-56.7180000112.1R327 E328 V330 L331 L388 R391 E574 D575 L579R327-L577 HydrophobicContact CB-CD1 4.03Å; E328-L577 HydrophobicContact CG-CD1 4.21Å; V330-L577 HydrophobicContact CG2-CB 4.38Å; V330-L577 HydrophobicContact CG2-CD2 4.09Å; L331-L577 HydrophobicContact CD1-CD2 3.85Å; L331-L577 HydrophobicContact CD2-CD2 4.01Å; L331-L577 HydrophobicContact CG-CD2 3.81Å; L388-L577 HydrophobicContact CD2-CB 4.12Å; R391-L577 PolarHBondContact NH1-O 3.09Å; E574-L577 HydrophobicContact CB-CD1 4.26Å; E574-L577 WeakPolarHBondContact O-CB 3.44Å; E574-L577 PolarHBondContact O-N 2.9Å; D575-L577 PolarHBondContact O-N 2.92Å; L577-L579 VanDerWaalsContact C-N 3.32Å; L577-L579 PolarHBondContact O-N 3.33Å
578D92.1Very high89.2Confident30 Ų3051 Ų5116%0.1624%0.243CC..  trans-83.971.8-179.6-175.328.9000111.8Q384 R387 L388 D575Q384-D578 VanDerWaalsContact CB-OD2 3.27Å; Q384-D578 WeakPolarHBondContact CB-OD2 3.36Å; Q384-D578 HydrophobicContact CG-CB 4.14Å; Q384-D578 WeakPolarHBondContact CG-OD2 3.16Å; Q384-D578 PolarHBondContact NE2-OD2 3.25Å; R387-D578 WeakPolarHBondContact CD-OD1 3.4Å; R387-D578 IonicContact NE-OD1 2.76Å; R387-D578 PolarHBondContact NE-OD1 2.86Å; L388-D578 HydrophobicContact CD1-CB 4.44Å; L388-D578 HydrophobicContact CD2-CB 4.2Å; L388-D578 HydrophobicContact CG-CB 4.36Å; D575-D578 PolarHBondContact O-N 3.06Å; D575-D578 VanDerWaalsContact O-N 3.13Å
579L90.8Very high89.7Confident30 Ų3053.1 Ų53.116%0.15726%0.262CS..  trans-94.4135.6174.5-59.5-179.2000111.3V330 R387 R391 L577 L581V330-L579 HydrophobicContact CB-CD1 4.21Å; V330-L579 HydrophobicContact CG2-CD1 4.36Å; R387-L579 VanDerWaalsContact CD-O 3.26Å; R387-L579 WeakPolarHBondContact CD-O 3.02Å; R391-L579 VanDerWaalsContact CZ-O 3.28Å; R391-L579 PolarHBondContact NH1-O 2.98Å; R391-L579 PolarHBondContact NH2-O 3.49Å; L577-L579 VanDerWaalsContact C-N 3.32Å; L577-L579 PolarHBondContact O-N 3.33Å; L579-L581 VanDerWaalsContact C-N 3.25Å; L579-L581 HydrophobicContact CB-CD2 4.06Å; L579-L581 PolarHBondContact O-N 3.07Å
580T91.3Very high90Very high68 Ų6854.8 Ų54.842%0.41727%0.268SS..  trans-73.1-19.517257.90000112.8E582T580-E582 VanDerWaalsContact C-N 3.26Å; T580-E582 PolarHBondContact O-N 3.06Å
581L93.6Very high90.5Very high4 Ų453.3 Ų53.32%0.02126%0.258CS..  trans68.814.1-174.3-50.2176.3000115L333 Y363 L366 L579 E584 S585L333-L581 HydrophobicContact CD1-CD2 4.47Å; Y363-L581 HydrophobicContact CD2-CB 4.49Å; Y363-L581 HydrophobicContact CD2-CD1 4.32Å; Y363-L581 HydrophobicContact CE2-CB 3.92Å; Y363-L581 HydrophobicContact CE2-CD1 4.35Å; L366-L581 HydrophobicContact CB-CD1 3.72Å; L579-L581 VanDerWaalsContact C-N 3.25Å; L579-L581 HydrophobicContact CB-CD2 4.06Å; L579-L581 PolarHBondContact O-N 3.07Å; L581-E584 VanDerWaalsContact CA-OE2 3.29Å; L581-E584 WeakPolarHBondContact CA-OE2 3.3Å; L581-E584 HydrophobicContact CB-CB 4.41Å; L581-E584 HydrophobicContact CD2-CB 4.48Å; L581-E584 HydrophobicContact CD2-CG 4.19Å; L581-S585 VanDerWaalsContact O-CB 3.29Å; L581-S585 WeakPolarHBondContact O-CB 3.34Å; L581-S585 PolarHBondContact O-N 3.04Å
582E92.9Very high91.2Very high122 Ų12244.4 Ų44.457%0.5723%0.227SC*.Hα-helixtrans-64.3-54.9177.9-71.4171.8-163.600111.5T580 E584 S585 E586T580-E582 VanDerWaalsContact C-N 3.26Å; T580-E582 PolarHBondContact O-N 3.06Å; E582-E584 VanDerWaalsContact C-N 3.29Å; E582-E584 PolarHBondContact O-N 2.91Å; E582-S585 PolarHBondContact O-N 3.41Å; E582-S585 WeakPolarHBondContact O-CB 3.49Å; E582-S585 PolarHBondContact O-OG 2.74Å; E582-S585 VanDerWaalsContact O-N 3.13Å; E582-E586 PolarHBondContact O-N 2.86Å; E582-E586 VanDerWaalsContact O-N 3.13Å
583E93.3Very high91.8Very high37 Ų3746.7 Ų46.717%0.17325%0.245CC..Hα-helixtrans-64.8-33.6178.9-67179.263.500112.8Y245 W282 R285 V587Y245-E583 PolarHBondContact OH-OE1 3.38Å; W282-E583 HydrophobicContact CH2-CB 4.43Å; W282-E583 HydrophobicContact CZ2-CB 3.67Å; W282-E583 PolarHBondContact NE1-OE1 3.29Å; W282-E583 VanDerWaalsContact NE1-OE1 3.09Å; R285-E583 PolarHBondContact NH2-O 3.38Å; E583-V587 PolarHBondContact O-N 3.46Å
584E95.6Very high92.4Very high4 Ų442.5 Ų42.52%0.01922%0.224CC..Hα-helixtrans-63.7-45.1172.9-72.270-163.700110.4W282 L333 R334 L337 L581 E582 E586 V587 I588W282-E584 HydrophobicContact CH2-CB 4.5Å; W282-E584 HydrophobicContact CH2-CG 3.75Å; W282-E584 VanDerWaalsContact CH2-OE1 3.3Å; W282-E584 WeakPolarHBondContact CH2-OE1 3.45Å; W282-E584 HydrophobicContact CZ3-CG 4.47Å; L333-E584 HydrophobicContact CD2-CB 3.93Å; L333-E584 HydrophobicContact CD2-CG 3.62Å; R334-E584 IonicContact CZ-OE1 3.31Å; R334-E584 VanDerWaalsContact CZ-OE1 3.28Å; R334-E584 IonicContact NE-OE1 3.81Å; R334-E584 PolarHBondContact NE-OE1 3.29Å; R334-E584 IonicContact NH2-OE1 3.02Å; R334-E584 PolarHBondContact NH2-OE1 3.38Å; L337-E584 HydrophobicContact CD2-CB 4.28Å; L337-E584 HydrophobicContact CD2-CG 4.46Å; L581-E584 VanDerWaalsContact CA-OE2 3.29Å; L581-E584 WeakPolarHBondContact CA-OE2 3.3Å; L581-E584 HydrophobicContact CB-CB 4.41Å; L581-E584 HydrophobicContact CD2-CB 4.48Å; L581-E584 HydrophobicContact CD2-CG 4.19Å; E582-E584 VanDerWaalsContact C-N 3.29Å; E582-E584 PolarHBondContact O-N 2.91Å; E584-E586 VanDerWaalsContact C-N 3.33Å; E584-E586 PolarHBondContact O-N 3.13Å; E584-V587 PolarHBondContact O-N 3.28Å; E584-V587 VanDerWaalsContact O-N 3.15Å; E584-I588 WeakPolarHBondContact O-CB 3.27Å; E584-I588 VanDerWaalsContact O-CG1 3.23Å; E584-I588 WeakPolarHBondContact O-CG1 3.4Å; E584-I588 PolarHBondContact O-N 3.48Å
585S95.9Very high92.5Very high40 Ų4042.2 Ų42.228%0.2822%0.223SC..Hα-helixtrans-61.8-41179.978.10000112.2Y363 L581 E582 V587 I588 A589Y363-S585 VanDerWaalsContact OH-CB 3.26Å; Y363-S585 WeakPolarHBondContact OH-CB 3.33Å; L581-S585 VanDerWaalsContact O-CB 3.29Å; L581-S585 WeakPolarHBondContact O-CB 3.34Å; L581-S585 PolarHBondContact O-N 3.04Å; E582-S585 PolarHBondContact O-N 3.41Å; E582-S585 WeakPolarHBondContact O-CB 3.49Å; E582-S585 PolarHBondContact O-OG 2.74Å; E582-S585 VanDerWaalsContact O-N 3.13Å; S585-V587 VanDerWaalsContact C-N 3.27Å; S585-V587 PolarHBondContact O-N 3.47Å; S585-I588 PolarHBondContact O-N 2.8Å; S585-A589 WeakPolarHBondContact O-CB 3.28Å; S585-A589 PolarHBondContact O-N 2.77Å
586E95.1Very high92.3Very high107 Ų10747.1 Ų47.150%0.525%0.245SC..Hα-helixtrans-59.7-41.2175.8-70.3179.4-177.500111E582 E584 A589 Q590E582-E586 PolarHBondContact O-N 2.86Å; E582-E586 VanDerWaalsContact O-N 3.13Å; E584-E586 VanDerWaalsContact C-N 3.33Å; E584-E586 PolarHBondContact O-N 3.13Å; E586-A589 PolarHBondContact O-N 2.78Å; E586-Q590 VanDerWaalsContact O-CG 3.29Å; E586-Q590 WeakPolarHBondContact O-CG 3.46Å; E586-Q590 PolarHBondContact O-N 3.14Å
587V94.4Very high91.3Very high3 Ų352.8 Ų52.82%0.01827%0.266CS..Hα-helixtrans-83-29.1-177.6173.10000113.9L337 E583 E584 S585 A589 Q590 M591L337-V587 HydrophobicContact CD1-CG1 4Å; L337-V587 HydrophobicContact CD2-CB 4.16Å; L337-V587 HydrophobicContact CD2-CG1 4.02Å; L337-V587 HydrophobicContact CG-CG1 4.01Å; E583-V587 PolarHBondContact O-N 3.46Å; E584-V587 PolarHBondContact O-N 3.28Å; E584-V587 VanDerWaalsContact O-N 3.15Å; S585-V587 VanDerWaalsContact C-N 3.27Å; S585-V587 PolarHBondContact O-N 3.47Å; V587-A589 VanDerWaalsContact C-N 3.29Å; V587-Q590 PolarHBondContact O-N 2.97Å; V587-M591 WeakPolarHBondContact O-CB 3.45Å; V587-M591 PolarHBondContact O-N 3.34Å
588I96.4Very high89.7Confident10 Ų1053.7 Ų53.75%0.05127%0.271CS..Hα-helixtrans-57.8-47.3164.1-70.1164.1000109.3L337 V359 Y363 E584 S585 M591 K592L337-I588 HydrophobicContact CD1-CG1 3.86Å; L337-I588 HydrophobicContact CD2-CG1 4.04Å; V359-I588 HydrophobicContact CG1-CD1 3.57Å; V359-I588 HydrophobicContact CG1-CG1 3.59Å; Y363-I588 HydrophobicContact CD2-CD1 3.47Å; Y363-I588 VanDerWaalsContact CD2-CD1 3.47Å; Y363-I588 HydrophobicContact CE2-CD1 4.06Å; Y363-I588 HydrophobicContact CG-CD1 3.82Å; E584-I588 WeakPolarHBondContact O-CB 3.27Å; E584-I588 VanDerWaalsContact O-CG1 3.23Å; E584-I588 WeakPolarHBondContact O-CG1 3.4Å; E584-I588 PolarHBondContact O-N 3.48Å; S585-I588 PolarHBondContact O-N 2.8Å; I588-M591 PolarHBondContact O-N 3.34Å; I588-K592 HydrophobicContact CG2-CD 4.27Å; I588-K592 VanDerWaalsContact O-CG 3.31Å; I588-K592 WeakPolarHBondContact O-CG 3.42Å; I588-K592 PolarHBondContact O-N 3.25Å
589A95.5Very high87.6Confident56 Ų5657.5 Ų57.546%0.46330%0.298SS..Hα-helixtrans-63.6-43.2178.400000112.5S585 E586 V587 M591 K592 S593S585-A589 WeakPolarHBondContact O-CB 3.28Å; S585-A589 PolarHBondContact O-N 2.77Å; E586-A589 PolarHBondContact O-N 2.78Å; V587-A589 VanDerWaalsContact C-N 3.29Å; A589-M591 PolarHBondContact O-N 3.1Å; A589-M591 VanDerWaalsContact C-N 3.34Å; A589-K592 PolarHBondContact O-N 3.31Å; A589-S593 PolarHBondContact O-N 2.99Å
590Q92.1Very high85.3Confident88 Ų8860.9 Ų60.941%0.41132%0.32SS..Hα-helixtrans-60.3-44.6173.7-71.7171.318.200111.6E586 V587 S593 Y594E586-Q590 VanDerWaalsContact O-CG 3.29Å; E586-Q590 WeakPolarHBondContact O-CG 3.46Å; E586-Q590 PolarHBondContact O-N 3.14Å; V587-Q590 PolarHBondContact O-N 2.97Å; Q590-S593 WeakPolarHBondContact O-CB 3.44Å; Q590-S593 PolarHBondContact O-N 3.32Å; Q590-Y594 HydrophobicContact CB-CE2 4.44Å; Q590-Y594 WeakPolarHBondContact O-CD2 3.43Å; Q590-Y594 VanDerWaalsContact O-CG 3.28Å; Q590-Y594 PolarHBondContact O-N 3.22Å
591M93.5Very high82.9Confident2 Ų263 Ų631%0.0134%0.335CS..Hα-helixtrans-65.8-39.9-179.2-165.859-145.600111.8L341 Y344 A352 L356 V587 I588 A589 Y594 L595L341-M591 HydrophobicContact CD1-SD 4.04Å; Y344-M591 HydrophobicContact CD1-CE 4.46Å; Y344-M591 HydrophobicContact CD2-CE 3.86Å; Y344-M591 HydrophobicContact CG-CE 3.65Å; A352-M591 HydrophobicContact CB-CE 4.04Å; L356-M591 HydrophobicContact CD1-CB 4.22Å; L356-M591 HydrophobicContact CD1-CG 4.07Å; L356-M591 HydrophobicContact CD2-CB 4.47Å; L356-M591 HydrophobicContact CD2-CG 4.1Å; V587-M591 WeakPolarHBondContact O-CB 3.45Å; V587-M591 PolarHBondContact O-N 3.34Å; I588-M591 PolarHBondContact O-N 3.34Å; A589-M591 PolarHBondContact O-N 3.1Å; A589-M591 VanDerWaalsContact C-N 3.34Å; M591-Y594 PolarHBondContact O-N 3.19Å; M591-Y594 HydrophobicContact SD-CD2 4.35Å; M591-L595 HydrophobicContact CE-CD1 3.78Å; M591-L595 HydrophobicContact CE-CD2 3.95Å; M591-L595 HydrophobicContact CE-CG 3.68Å; M591-L595 PolarHBondContact O-N 2.98Å; M591-L595 VanDerWaalsContact O-N 3.07Å
592K93.5Very high80.3Confident74 Ų7467.4 Ų67.432%0.32237%0.367SS..Hα-helixtrans-58.2-49170.4-74.6177.8-177.2-155.20111.2L356 E360 I588 A589 Y594 L595 H596L356-K592 HydrophobicContact CD2-CG 4.08Å; E360-K592 WeakPolarHBondContact OE1-CE 3.42Å; E360-K592 IonicContact OE1-NZ 2.95Å; E360-K592 PolarHBondContact OE1-NZ 2.94Å; I588-K592 HydrophobicContact CG2-CD 4.27Å; I588-K592 VanDerWaalsContact O-CG 3.31Å; I588-K592 WeakPolarHBondContact O-CG 3.42Å; I588-K592 PolarHBondContact O-N 3.25Å; A589-K592 PolarHBondContact O-N 3.31Å; K592-Y594 PolarHBondContact O-N 3.41Å; K592-Y594 VanDerWaalsContact C-N 3.29Å; K592-L595 PolarHBondContact O-N 3.37Å; K592-H596 WeakPolarHBondContact O-CB 3.4Å; K592-H596 PolarHBondContact O-N 2.92Å; K592-H596 PolarHBondContact O-ND1 2.98Å
593S90.9Very high77.4Confident69 Ų6970.6 Ų70.648%0.48340%0.402SS..Hα-helixtrans-56.7-44.4178.1-178.20000111.4A589 Q590 L595 H596 R597A589-S593 PolarHBondContact O-N 2.99Å; Q590-S593 WeakPolarHBondContact O-CB 3.44Å; Q590-S593 PolarHBondContact O-N 3.32Å; S593-L595 PolarHBondContact O-N 2.95Å; S593-H596 PolarHBondContact O-N 3.15Å; S593-R597 PolarHBondContact O-N 3.48Å; S593-R597 VanDerWaalsContact O-N 3.13Å; S593-R597 WeakPolarHBondContact O-CB 3.44Å
594Y88.4Confident76.6Confident58 Ų5872.3 Ų72.323%0.22741%0.414CS..Hα-helixtrans-63.1-37.8177.9-67-22.8000114.4M1 Y344 Q590 M591 K592M1-Y594 HydrophobicContact CB-CE2 3.9Å; M1-Y594 HydrophobicContact CG-CE2 4.2Å; Y344-Y594 HydrophobicContact CD1-CD2 4.47Å; Y344-Y594 HydrophobicContact CE1-CD2 4.16Å; Y344-Y594 HydrophobicContact CE1-CG 4.12Å; Y344-Y594 PolarHBondContact OH-O 3.4Å; Q590-Y594 HydrophobicContact CB-CE2 4.44Å; Q590-Y594 WeakPolarHBondContact O-CD2 3.43Å; Q590-Y594 VanDerWaalsContact O-CG 3.28Å; Q590-Y594 PolarHBondContact O-N 3.22Å; M591-Y594 PolarHBondContact O-N 3.19Å; M591-Y594 HydrophobicContact SD-CD2 4.35Å; K592-Y594 PolarHBondContact O-N 3.41Å; K592-Y594 VanDerWaalsContact C-N 3.29Å
595L87.4Confident75.6Confident21 Ų2175.9 Ų75.911%0.1144%0.435CS..Hα-helixtrans-81.9-33.4178.6-67.1174.1000112.9Y344 A352 L356 M591 K592 S593Y344-L595 HydrophobicContact CD2-CD2 3.73Å; Y344-L595 HydrophobicContact CE2-CD2 4.16Å; A352-L595 HydrophobicContact CB-CD2 4.25Å; L356-L595 HydrophobicContact CB-CD1 4.49Å; L356-L595 HydrophobicContact CD2-CD1 3.64Å; M591-L595 HydrophobicContact CE-CD1 3.78Å; M591-L595 HydrophobicContact CE-CD2 3.95Å; M591-L595 HydrophobicContact CE-CG 3.68Å; M591-L595 PolarHBondContact O-N 2.98Å; M591-L595 VanDerWaalsContact O-N 3.07Å; K592-L595 PolarHBondContact O-N 3.37Å; S593-L595 PolarHBondContact O-N 2.95Å
596H81.9Confident74.5Confident130 Ų13077.9 Ų77.960%0.60244%0.443SS*.Hα-helixtrans-71.3-35.2179.3-78.573.6000112.6K592 S593 N598 C599K592-H596 WeakPolarHBondContact O-CB 3.4Å; K592-H596 PolarHBondContact O-N 2.92Å; K592-H596 PolarHBondContact O-ND1 2.98Å; S593-H596 PolarHBondContact O-N 3.15Å; H596-N598 PolarHBondContact O-N 3.32Å; H596-C599 PolarHBondContact O-N 3.5Å
597R69.4Low73.2Confident155 Ų15576.2 Ų76.259%0.58544%0.44SS*.THydrogen-bonded Turntrans-59.1-19.5179.8-142.4170.5125.7163.40.1113.4E55 S593E55-R597 IonicContact OE1-NH2 3.48Å; E55-R597 PolarHBondContact OE1-NH2 3.12Å; S593-R597 PolarHBondContact O-N 3.48Å; S593-R597 VanDerWaalsContact O-N 3.13Å; S593-R597 WeakPolarHBondContact O-CB 3.44Å
598N59.2Low71.9Confident20 Ų2080.8 Ų80.811%0.10747%0.466CS..THydrogen-bonded Turntrans-95.4-10.5-178.9-57.5-3.5000112.9H5 F51 E349 H596H5-N598 PolarHBondContact NE2-ND2 3.1Å; F51-N598 VanDerWaalsContact CE1-OD1 3.26Å; F51-N598 WeakPolarHBondContact CE1-OD1 3.4Å; F51-N598 WeakPolarHBondContact CZ-OD1 3.43Å; E349-N598 PolarHBondContact OE1-ND2 3.09Å; H596-N598 PolarHBondContact O-N 3.32Å
599C48.2Very low70.3Confident109 Ų10985.5 Ų85.574%0.73649%0.494SS*.THydrogen-bonded Turntrans-92.6-15.7178.4-840000113.8H596 P601H596-C599 PolarHBondContact O-N 3.5Å; C599-P601 VanDerWaalsContact O-CD 3.28Å; C599-P601 WeakPolarHBondContact O-CD 3.47Å
600T42.9Very low68.5Low101 Ų10187.6 Ų87.662%0.6250%0.496SS*.SBendtrans-94.8107.3174.5480000109.4S602T600-S602 PolarHBondContact O-N 3.2Å; T600-S602 VanDerWaalsContact O-N 3.13Å
601P39.8Very low66.7Low113 Ų11387.5 Ų87.573%0.73450%0.503SS*.  trans-59.3121.2167.323.6-29.9000107.7C599 S603C599-P601 VanDerWaalsContact O-CD 3.28Å; C599-P601 WeakPolarHBondContact O-CD 3.47Å; P601-S603 PolarHBondContact O-N 3.25Å
602S40.2Very low64.4Low97 Ų9794.7 Ų94.768%0.67854%0.544SS*.  trans-55.2112167.749.10000107.4T600T600-S602 PolarHBondContact O-N 3.2Å; T600-S602 VanDerWaalsContact O-N 3.13Å
603S31.1Very low61.8Low189 Ų18996.5 Ų96.5100%1.32256%0.564SS**  trans-63.30-179.5-51.10000112.2P601P601-S603 PolarHBondContact O-N 3.25Å

Retrieved 603 of 603 residues in 1436.1 ms (Link to these results)

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