A0A077Z163_TRITR Loading...

Patched family protein

AlphaFold DB , UniProt , Accession A0A077Z163, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 923 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
1M39.7Very low61.6Low240 Ų24093.2 Ų93.2100%1.18251%0.513SS*.  0120.60-76.2172.8171.300108.4
2A43.1Very low62.9Low92 Ų9287.9 Ų87.976%0.7648%0.483SS*.  trans-61.8132.1169.700000107.8I4A2-I4 PolarHBondContact O-N 3.43Å; A2-I4 VanDerWaalsContact O-N 3.1Å
3P51.6Low64.1Low97 Ų9785.6 Ų85.663%0.6348%0.477SS*.  trans-57.4122.6179.821.9-30.9000108.5K5P3-K5 PolarHBondContact O-N 3.31Å
4I54.7Low65.6Low159 Ų15992.9 Ų92.982%0.81549%0.494SS*.  trans-55.7115.9175.6-62.1171.3000106A2A2-I4 PolarHBondContact O-N 3.43Å; A2-I4 VanDerWaalsContact O-N 3.1Å
5K58.6Low66.8Low134 Ų13489 Ų8958%0.58347%0.473SS*.  trans-64.2139177.1-72.1-178.4-179.9175.80107.8P3 L7 I10P3-K5 PolarHBondContact O-N 3.31Å; K5-L7 PolarHBondContact O-N 2.94Å; K5-I10 HydrophobicContact CB-CD1 4.45Å; K5-I10 HydrophobicContact CB-CG1 4.21Å
6P66.1Low67.9Low31 Ų3184.8 Ų84.820%0.20145%0.45CS..  trans-54.3141.2175.4-21.232.1000109.6S8 V9 I10 P769 I910P6-S8 PolarHBondContact O-N 3.47Å; P6-V9 HydrophobicContact CB-CG2 4.12Å; P6-V9 HydrophobicContact CG-CG2 4.01Å; P6-V9 WeakPolarHBondContact O-CB 3.44Å; P6-V9 PolarHBondContact O-N 3.38Å; P6-I10 PolarHBondContact O-N 3.07Å; P6-P769 HydrophobicContact CB-CB 4.37Å; P6-I910 HydrophobicContact CG-CD1 3.32Å
7L70.1Confident69Low114 Ų11488.5 Ų88.560%0.59746%0.462SS*.Hα-helixtrans-51.3-42.3-179.2-173.169.4000111.3K5 V9 I10 I11 F766K5-L7 PolarHBondContact O-N 2.94Å; L7-V9 VanDerWaalsContact C-N 3.33Å; L7-V9 PolarHBondContact O-N 3.04Å; L7-I10 WeakPolarHBondContact O-CB 3.17Å; L7-I10 PolarHBondContact O-N 3.36Å; L7-I11 HydrophobicContact CD2-CD1 4.16Å; L7-I11 HydrophobicContact CG-CD1 3.68Å; L7-I11 HydrophobicContact CG-CG1 4.43Å; L7-I11 WeakPolarHBondContact O-CD1 3.31Å; L7-I11 WeakPolarHBondContact O-CG1 3.18Å; L7-I11 PolarHBondContact O-N 3.02Å; L7-F766 HydrophobicContact CD2-CD2 4.27Å; L7-F766 HydrophobicContact CD2-CE2 3.96Å
8S69.8Low70.3Confident8 Ų890 Ų906%0.05646%0.464CS..Hα-helixtrans-57.4-36.4175.548.30000114.4P6 I10 I11 N12 F766 P769P6-S8 PolarHBondContact O-N 3.47Å; S8-I10 VanDerWaalsContact C-N 3.34Å; S8-I11 PolarHBondContact O-N 2.75Å; S8-N12 WeakPolarHBondContact O-CB 3.5Å; S8-N12 VanDerWaalsContact O-CG 3.26Å; S8-N12 PolarHBondContact O-N 2.87Å; S8-N12 PolarHBondContact O-ND2 3.11Å; S8-F766 VanDerWaalsContact CA-O 3.24Å; S8-F766 WeakPolarHBondContact CA-O 3.35Å; S8-F766 WeakPolarHBondContact CB-O 3.12Å; S8-P769 WeakPolarHBondContact OG-CA 3.4Å; S8-P769 VanDerWaalsContact OG-CB 3.29Å; S8-P769 WeakPolarHBondContact OG-CB 3.32Å
9V73.5Confident71.5Confident51 Ų5185.6 Ų85.631%0.30944%0.441SS..Hα-helixtrans-68.2-37.6175.5179.30000111P6 L7 S13 P769P6-V9 HydrophobicContact CB-CG2 4.12Å; P6-V9 HydrophobicContact CG-CG2 4.01Å; P6-V9 WeakPolarHBondContact O-CB 3.44Å; P6-V9 PolarHBondContact O-N 3.38Å; L7-V9 VanDerWaalsContact C-N 3.33Å; L7-V9 PolarHBondContact O-N 3.04Å; V9-S13 WeakPolarHBondContact O-CB 3.43Å; V9-S13 PolarHBondContact O-N 3.03Å; V9-P769 HydrophobicContact CG2-CB 3.57Å; V9-P769 HydrophobicContact CG2-CG 4.11Å
10I74.8Confident72.4Confident71 Ų7183.3 Ų83.336%0.36443%0.43SS..Hα-helixtrans-68.3-46178.1-59.6172.8000109.6K5 P6 L7 S8 S13 R14K5-I10 HydrophobicContact CB-CD1 4.45Å; K5-I10 HydrophobicContact CB-CG1 4.21Å; P6-I10 PolarHBondContact O-N 3.07Å; L7-I10 WeakPolarHBondContact O-CB 3.17Å; L7-I10 PolarHBondContact O-N 3.36Å; S8-I10 VanDerWaalsContact C-N 3.34Å; I10-S13 PolarHBondContact O-N 3.38Å; I10-R14 WeakPolarHBondContact O-CG 3.32Å; I10-R14 PolarHBondContact O-N 2.84Å
11I76.1Confident73.3Confident28 Ų2882.8 Ų82.814%0.14443%0.426CS..Hα-helixtrans-60.4-53.6178.2-67.4156.8000110.4L7 S8 S13 R14 L15 F766 F767L7-I11 HydrophobicContact CD2-CD1 4.16Å; L7-I11 HydrophobicContact CG-CD1 3.68Å; L7-I11 HydrophobicContact CG-CG1 4.43Å; L7-I11 WeakPolarHBondContact O-CD1 3.31Å; L7-I11 WeakPolarHBondContact O-CG1 3.18Å; L7-I11 PolarHBondContact O-N 3.02Å; S8-I11 PolarHBondContact O-N 2.75Å; I11-S13 VanDerWaalsContact C-N 3.26Å; I11-S13 PolarHBondContact O-N 3.48Å; I11-R14 CarbonylContact O-C 3.57Å; I11-R14 WeakPolarHBondContact O-CA 3.32Å; I11-R14 WeakPolarHBondContact O-CB 3.49Å; I11-R14 PolarHBondContact O-N 3.48Å; I11-L15 HydrophobicContact CG2-CD1 3.67Å; I11-L15 HydrophobicContact CG2-CG 4.23Å; I11-L15 PolarHBondContact O-N 3.23Å; I11-F766 HydrophobicContact CD1-CD1 3.83Å; I11-F766 HydrophobicContact CD1-CD2 3.9Å; I11-F766 HydrophobicContact CD1-CE1 3.4Å; I11-F766 VanDerWaalsContact CD1-CE1 3.4Å; I11-F766 HydrophobicContact CD1-CE2 3.46Å; I11-F766 VanDerWaalsContact CD1-CE2 3.46Å; I11-F766 HydrophobicContact CD1-CG 4.07Å; I11-F766 HydrophobicContact CD1-CZ 3.21Å; I11-F766 HydrophobicContact CG1-CE1 4.23Å; I11-F766 HydrophobicContact CG1-CZ 4.11Å; I11-F766 HydrophobicContact CG2-CE1 4.1Å; I11-F767 HydrophobicContact CG2-CD1 4.44Å; I11-F767 HydrophobicContact CG2-CE1 4.26Å
12N76.8Confident75.9Confident30 Ų3073.3 Ų73.316%0.1638%0.377CS..Hα-helixtrans-58.7-39.6178.8-72.7-15.8000111.6S8 R14 L15 D16 F767S8-N12 WeakPolarHBondContact O-CB 3.5Å; S8-N12 VanDerWaalsContact O-CG 3.26Å; S8-N12 PolarHBondContact O-N 2.87Å; S8-N12 PolarHBondContact O-ND2 3.11Å; N12-R14 VanDerWaalsContact C-N 3.27Å; N12-R14 PolarHBondContact O-N 3.31Å; N12-L15 PolarHBondContact O-N 2.79Å; N12-D16 WeakPolarHBondContact O-CB 3.45Å; N12-D16 PolarHBondContact O-N 3.04Å; N12-F767 PolarHBondContact ND2-O 3.15Å
13S78.9Confident78.2Confident58 Ų5869 Ų6941%0.40634%0.341SS..Hα-helixtrans-66.1-28175.6-177.20000113.5V9 I10 I11 K17V9-S13 WeakPolarHBondContact O-CB 3.43Å; V9-S13 PolarHBondContact O-N 3.03Å; I10-S13 PolarHBondContact O-N 3.38Å; I11-S13 VanDerWaalsContact C-N 3.26Å; I11-S13 PolarHBondContact O-N 3.48Å; S13-K17 WeakPolarHBondContact O-CG 3.32Å
14R84.1Confident80.2Confident188 Ų18867.4 Ų67.471%0.70932%0.322SS*.Hα-helixtrans-79.6-42.8175.2-74.5-172.2178.6-169.81.2111I10 I11 N12 K17 F18I10-R14 WeakPolarHBondContact O-CG 3.32Å; I10-R14 PolarHBondContact O-N 2.84Å; I11-R14 CarbonylContact O-C 3.57Å; I11-R14 WeakPolarHBondContact O-CA 3.32Å; I11-R14 WeakPolarHBondContact O-CB 3.49Å; I11-R14 PolarHBondContact O-N 3.48Å; N12-R14 VanDerWaalsContact C-N 3.27Å; N12-R14 PolarHBondContact O-N 3.31Å; R14-K17 PolarHBondContact O-N 2.82Å; R14-F18 WeakPolarHBondContact O-CB 3.4Å; R14-F18 PolarHBondContact O-N 3.43Å
15L84Confident82Confident34 Ų3462.6 Ų62.618%0.17830%0.298CS..Hα-helixtrans-60.3-45.7174.9-71.6170.4000111.3I11 N12 K17 F18 Y19 F767I11-L15 HydrophobicContact CG2-CD1 3.67Å; I11-L15 HydrophobicContact CG2-CG 4.23Å; I11-L15 PolarHBondContact O-N 3.23Å; N12-L15 PolarHBondContact O-N 2.79Å; L15-K17 VanDerWaalsContact C-N 3.26Å; L15-K17 PolarHBondContact O-N 3.14Å; L15-F18 PolarHBondContact O-N 3.31Å; L15-Y19 HydrophobicContact CB-CD2 4.36Å; L15-Y19 HydrophobicContact CD2-CE2 4.16Å; L15-Y19 WeakPolarHBondContact O-CB 3.26Å; L15-Y19 VanDerWaalsContact O-CD2 3.31Å; L15-Y19 WeakPolarHBondContact O-CD2 3.43Å; L15-Y19 PolarHBondContact O-N 3.39Å; L15-F767 HydrophobicContact CD1-CD1 4.24Å; L15-F767 HydrophobicContact CD1-CE1 3.73Å
16D84Confident83.7Confident21 Ų2156.2 Ų56.211%0.11227%0.27CS..Hα-helixtrans-51.3-46.5174.3-9227.4000112N12 D20 R383N12-D16 WeakPolarHBondContact O-CB 3.45Å; N12-D16 PolarHBondContact O-N 3.04Å; D16-D20 WeakPolarHBondContact O-CB 3.46Å; D16-D20 PolarHBondContact O-N 3.04Å; D16-R383 HydrophobicContact CB-CG 4.03Å; D16-R383 IonicContact OD2-CZ 3.23Å; D16-R383 IonicContact OD2-NE 3.89Å; D16-R383 PolarHBondContact OD2-NE 3.47Å; D16-R383 IonicContact OD2-NH2 2.65Å; D16-R383 PolarHBondContact OD2-NH2 2.78Å
17K88.1Confident84.8Confident149 Ų14955 Ų5565%0.64826%0.263SS*.Hα-helixtrans-72.1-40.9-178.6-73.1179.4179.7-174.90111.8S13 R14 L15 D20 E21S13-K17 WeakPolarHBondContact O-CG 3.32Å; R14-K17 PolarHBondContact O-N 2.82Å; L15-K17 VanDerWaalsContact C-N 3.26Å; L15-K17 PolarHBondContact O-N 3.14Å; K17-D20 PolarHBondContact O-N 3.13Å; K17-E21 PolarHBondContact O-N 2.82Å; K17-E21 VanDerWaalsContact O-N 3.12Å
18F91.8Very high85.9Confident115 Ų11554.5 Ų54.550%0.50426%0.258SS..Hα-helixtrans-59.5-49.3175.9171.7-97.8000110.4R14 L15 E21 Y22R14-F18 WeakPolarHBondContact O-CB 3.4Å; R14-F18 PolarHBondContact O-N 3.43Å; L15-F18 PolarHBondContact O-N 3.31Å; F18-E21 PolarHBondContact O-N 3.18Å; F18-Y22 HydrophobicContact CZ-CD2 4.44Å; F18-Y22 VanDerWaalsContact O-CB 3.25Å; F18-Y22 WeakPolarHBondContact O-CB 3.42Å; F18-Y22 PolarHBondContact O-N 3.25Å
19Y92.9Very high87Confident6 Ų657.1 Ų57.12%0.02427%0.274CS..Hα-helixtrans-70.6-31.2-179.3-80.6-58.3000114L15 Y22 G23 M382 G386 T390 L430L15-Y19 HydrophobicContact CB-CD2 4.36Å; L15-Y19 HydrophobicContact CD2-CE2 4.16Å; L15-Y19 WeakPolarHBondContact O-CB 3.26Å; L15-Y19 VanDerWaalsContact O-CD2 3.31Å; L15-Y19 WeakPolarHBondContact O-CD2 3.43Å; L15-Y19 PolarHBondContact O-N 3.39Å; Y19-Y22 HydrophobicContact CD1-CD1 4.5Å; Y19-G23 PolarHBondContact O-N 3.46Å; Y19-M382 VanDerWaalsContact CB-O 3.25Å; Y19-M382 WeakPolarHBondContact CB-O 3.33Å; Y19-M382 HydrophobicContact CD1-CB 4.4Å; Y19-M382 WeakPolarHBondContact O-CB 3.43Å; Y19-G386 VanDerWaalsContact CE2-C 3.44Å; Y19-G386 WeakPolarHBondContact CE2-O 3.19Å; Y19-T390 WeakPolarHBondContact CE2-OG1 3.48Å; Y19-T390 PolarHBondContact OH-OG1 3.29Å; Y19-L430 HydrophobicContact CE1-CD1 4.23Å; Y19-L430 HydrophobicContact CE1-CD2 3.76Å
20D89.6Confident88Confident40 Ų4055 Ų5521%0.21426%0.26CS..Hα-helixtrans-62.7-45.5171.1-174.472000111.4D16 K17 R24 R379D16-D20 WeakPolarHBondContact O-CB 3.46Å; D16-D20 PolarHBondContact O-N 3.04Å; K17-D20 PolarHBondContact O-N 3.13Å; D20-R24 PolarHBondContact O-N 3.23Å; D20-R379 WeakPolarHBondContact O-CG 3.33Å; D20-R379 IonicContact OD1-CZ 3.88Å; D20-R379 IonicContact OD1-NE 3.34Å; D20-R379 PolarHBondContact OD1-NE 3.48Å; D20-R379 IonicContact OD1-NH2 3.59Å; D20-R379 IonicContact OD2-CZ 3.57Å; D20-R379 IonicContact OD2-NE 3.55Å; D20-R379 IonicContact OD2-NH2 2.75Å; D20-R379 PolarHBondContact OD2-NH2 2.97Å
21E91.9Very high88.9Confident73 Ų7358.5 Ų58.534%0.34127%0.27SS..Hα-helixtrans-72.1-38177.9-176.460.3-169.900112.1K17 F18 R24 I25K17-E21 PolarHBondContact O-N 2.82Å; K17-E21 VanDerWaalsContact O-N 3.12Å; F18-E21 PolarHBondContact O-N 3.18Å; E21-R24 VanDerWaalsContact CD-NE 3.33Å; E21-R24 VanDerWaalsContact O-CB 3.26Å; E21-R24 WeakPolarHBondContact O-CB 3.17Å; E21-R24 PolarHBondContact O-N 3.15Å; E21-R24 IonicContact OE1-CZ 3.28Å; E21-R24 VanDerWaalsContact OE1-CZ 3.28Å; E21-R24 IonicContact OE1-NE 3.08Å; E21-R24 PolarHBondContact OE1-NE 3.26Å; E21-R24 VanDerWaalsContact OE1-NE 3.08Å; E21-R24 IonicContact OE1-NH2 2.66Å; E21-R24 PolarHBondContact OE1-NH2 3.38Å; E21-R24 IonicContact OE2-CZ 3.94Å; E21-R24 IonicContact OE2-NE 2.99Å; E21-R24 PolarHBondContact OE2-NE 3.3Å; E21-I25 WeakPolarHBondContact O-CG1 3.27Å; E21-I25 PolarHBondContact O-N 2.9Å; E21-I25 VanDerWaalsContact O-N 3.12Å
22Y92.7Very high89.8Confident41 Ų4162.7 Ų62.716%0.16129%0.292CS..Hα-helixtrans-62.9-45.9175.5-175.1-99.3000111.5F18 Y19 R24 I25 V26 L430F18-Y22 HydrophobicContact CZ-CD2 4.44Å; F18-Y22 VanDerWaalsContact O-CB 3.25Å; F18-Y22 WeakPolarHBondContact O-CB 3.42Å; F18-Y22 PolarHBondContact O-N 3.25Å; Y19-Y22 HydrophobicContact CD1-CD1 4.5Å; Y22-R24 PolarHBondContact O-N 3.44Å; Y22-I25 PolarHBondContact O-N 2.78Å; Y22-I25 VanDerWaalsContact O-N 3.07Å; Y22-V26 HydrophobicContact CD1-CG2 4.02Å; Y22-V26 HydrophobicContact CE1-CG2 3.58Å; Y22-V26 HydrophobicContact CE2-CG2 4.31Å; Y22-V26 WeakPolarHBondContact O-CG2 3.42Å; Y22-V26 PolarHBondContact O-N 3.28Å; Y22-L430 HydrophobicContact CE1-CB 4.12Å; Y22-L430 WeakPolarHBondContact CE1-O 3.5Å; Y22-L430 PolarHBondContact OH-O 3.08Å
23G92.2Very high90.6Very high0 Ų063.1 Ų63.10%029%0.293CS..Hα-helixtrans-60-31.9174.900000112.8Y19 G27Y19-G23 PolarHBondContact O-N 3.46Å; G23-G27 PolarHBondContact O-N 3.3Å
24R93Very high91.4Very high65 Ų6561.7 Ų61.725%0.24528%0.28CS..Hα-helixtrans-64.3-47.5172.6-165.6-169.864.569.5-1.3111.1D20 E21 Y22 G27 Q28 E375 R379D20-R24 PolarHBondContact O-N 3.23Å; E21-R24 VanDerWaalsContact CD-NE 3.33Å; E21-R24 VanDerWaalsContact O-CB 3.26Å; E21-R24 WeakPolarHBondContact O-CB 3.17Å; E21-R24 PolarHBondContact O-N 3.15Å; E21-R24 IonicContact OE1-CZ 3.28Å; E21-R24 VanDerWaalsContact OE1-CZ 3.28Å; E21-R24 IonicContact OE1-NE 3.08Å; E21-R24 PolarHBondContact OE1-NE 3.26Å; E21-R24 VanDerWaalsContact OE1-NE 3.08Å; E21-R24 IonicContact OE1-NH2 2.66Å; E21-R24 PolarHBondContact OE1-NH2 3.38Å; E21-R24 IonicContact OE2-CZ 3.94Å; E21-R24 IonicContact OE2-NE 2.99Å; E21-R24 PolarHBondContact OE2-NE 3.3Å; Y22-R24 PolarHBondContact O-N 3.44Å; R24-G27 PolarHBondContact O-N 2.85Å; R24-Q28 VanDerWaalsContact O-CG 3.27Å; R24-Q28 WeakPolarHBondContact O-CG 3.26Å; R24-Q28 PolarHBondContact O-N 3.2Å; R24-Q28 VanDerWaalsContact O-N 3.09Å; R24-E375 WeakPolarHBondContact CG-OE1 3.18Å; R24-R379 HydrophobicContact CB-CG 4.11Å
25I93.2Very high92Very high57 Ų5756.5 Ų56.529%0.29227%0.269SS..Hα-helixtrans-63.8-49.1-178.9-64.6166.2000111.2E21 Y22 G27 Q28 T29 F33E21-I25 WeakPolarHBondContact O-CG1 3.27Å; E21-I25 PolarHBondContact O-N 2.9Å; E21-I25 VanDerWaalsContact O-N 3.12Å; Y22-I25 PolarHBondContact O-N 2.78Å; Y22-I25 VanDerWaalsContact O-N 3.07Å; I25-G27 VanDerWaalsContact C-N 3.34Å; I25-Q28 PolarHBondContact O-N 2.98Å; I25-T29 PolarHBondContact O-N 2.99Å; I25-T29 PolarHBondContact O-OG1 3.17Å; I25-F33 HydrophobicContact CG2-CE2 4.13Å; I25-F33 HydrophobicContact CG2-CZ 3.99Å
26V93.3Very high92.6Very high0 Ų056.6 Ų56.60%028%0.278CS..Hα-helixtrans-63.8-41.9178.4177.80000110.6Y22 Q28 T29 P30 F33 L378 A435Y22-V26 HydrophobicContact CD1-CG2 4.02Å; Y22-V26 HydrophobicContact CE1-CG2 3.58Å; Y22-V26 HydrophobicContact CE2-CG2 4.31Å; Y22-V26 WeakPolarHBondContact O-CG2 3.42Å; Y22-V26 PolarHBondContact O-N 3.28Å; V26-Q28 VanDerWaalsContact C-N 3.29Å; V26-Q28 PolarHBondContact O-N 3.31Å; V26-T29 CarbonylContact O-C 3.47Å; V26-T29 PolarHBondContact O-N 3.11Å; V26-P30 WeakPolarHBondContact O-CA 3.46Å; V26-P30 WeakPolarHBondContact O-CD 3.47Å; V26-P30 VanDerWaalsContact O-N 3.13Å; V26-F33 HydrophobicContact CB-CD2 4.36Å; V26-F33 HydrophobicContact CB-CE2 4.27Å; V26-F33 HydrophobicContact CG1-CD2 4.29Å; V26-F33 HydrophobicContact CG2-CD1 4.28Å; V26-F33 HydrophobicContact CG2-CD2 4.13Å; V26-F33 HydrophobicContact CG2-CE1 3.98Å; V26-F33 HydrophobicContact CG2-CE2 3.84Å; V26-F33 HydrophobicContact CG2-CG 4.35Å; V26-F33 HydrophobicContact CG2-CZ 3.76Å; V26-L378 HydrophobicContact CB-CD2 3.77Å; V26-L378 HydrophobicContact CG1-CD2 3.66Å; V26-A435 HydrophobicContact CG1-CB 4.04Å
27G90.7Very high93.2Very high6 Ų655.9 Ų55.96%0.06228%0.275CS..Hα-helixtrans-62.1-32.7178.500000114.2G23 R24 I25G23-G27 PolarHBondContact O-N 3.3Å; R24-G27 PolarHBondContact O-N 2.85Å; I25-G27 VanDerWaalsContact C-N 3.34Å
28Q92.2Very high93.7Very high104 Ų10453 Ų5349%0.48627%0.266SS..Hα-helixtrans-79.2-29.2177.8-72178.4-0.100113.3R24 I25 V26 E375R24-Q28 VanDerWaalsContact O-CG 3.27Å; R24-Q28 WeakPolarHBondContact O-CG 3.26Å; R24-Q28 PolarHBondContact O-N 3.2Å; R24-Q28 VanDerWaalsContact O-N 3.09Å; I25-Q28 PolarHBondContact O-N 2.98Å; V26-Q28 VanDerWaalsContact C-N 3.29Å; V26-Q28 PolarHBondContact O-N 3.31Å; Q28-E375 HydrophobicContact CG-CG 4.45Å; Q28-E375 PolarHBondContact NE2-OE1 3.3Å
29T93.2Very high93.9Very high63 Ų6353.2 Ų53.239%0.38727%0.272SS..  trans-135.150.6-172.353.70000113.9I25 V26 Y31 L32 F33I25-T29 PolarHBondContact O-N 2.99Å; I25-T29 PolarHBondContact O-OG1 3.17Å; V26-T29 CarbonylContact O-C 3.47Å; V26-T29 PolarHBondContact O-N 3.11Å; T29-Y31 PolarHBondContact O-N 3.33Å; T29-L32 WeakPolarHBondContact O-CB 3.33Å; T29-L32 PolarHBondContact O-N 2.99Å; T29-L32 VanDerWaalsContact O-N 3.17Å; T29-F33 WeakPolarHBondContact O-CD2 3.41Å
30P93.9Very high94.1Very high5 Ų556 Ų563%0.03229%0.287CS..Hα-helixtrans-62.4-38.6-169.925.4-35.4000113.4V26 L32 F33 I34 A435 V438 V439V26-P30 WeakPolarHBondContact O-CA 3.46Å; V26-P30 WeakPolarHBondContact O-CD 3.47Å; V26-P30 VanDerWaalsContact O-N 3.13Å; P30-L32 PolarHBondContact O-N 3.23Å; P30-F33 PolarHBondContact O-N 3.25Å; P30-F33 VanDerWaalsContact O-N 3.13Å; P30-I34 WeakPolarHBondContact O-CG1 3.36Å; P30-I34 PolarHBondContact O-N 3.35Å; P30-I34 VanDerWaalsContact O-N 3.07Å; P30-A435 HydrophobicContact CB-CB 3.97Å; P30-A435 WeakPolarHBondContact O-CB 3.33Å; P30-V438 HydrophobicContact CB-CB 4.33Å; P30-V438 HydrophobicContact CB-CG1 4.26Å; P30-V438 HydrophobicContact CG-CG1 4.03Å; P30-V439 HydrophobicContact CB-CG2 4Å; P30-V439 HydrophobicContact CG-CG2 4.18Å
31Y93.7Very high94.5Very high145 Ų14554.8 Ų54.857%0.56928%0.281SS*.Hα-helixtrans-60.9-32.2179.9-65.4-72.3000113.5T29 I34 V35 V439T29-Y31 PolarHBondContact O-N 3.33Å; Y31-I34 PolarHBondContact O-N 3.09Å; Y31-V35 WeakPolarHBondContact O-CB 3.47Å; Y31-V35 WeakPolarHBondContact O-CG2 3.49Å; Y31-V35 PolarHBondContact O-N 3.12Å; Y31-V439 HydrophobicContact CE1-CG2 4.31Å
32L94.8Very high94.8Very high116 Ų11653 Ų5361%0.60728%0.282SS*.Hα-helixtrans-65.3-42.4177.4-179.465.9000110.9T29 P30 G36T29-L32 WeakPolarHBondContact O-CB 3.33Å; T29-L32 PolarHBondContact O-N 2.99Å; T29-L32 VanDerWaalsContact O-N 3.17Å; P30-L32 PolarHBondContact O-N 3.23Å; L32-G36 PolarHBondContact O-N 2.66Å
33F95.2Very high95Very high40 Ų4054 Ų5418%0.17530%0.296CS..Hα-helixtrans-67.7-43177.8-73.4-87.1000111.6I25 V26 T29 P30 G36 S37 T431 A435I25-F33 HydrophobicContact CG2-CE2 4.13Å; I25-F33 HydrophobicContact CG2-CZ 3.99Å; V26-F33 HydrophobicContact CB-CD2 4.36Å; V26-F33 HydrophobicContact CB-CE2 4.27Å; V26-F33 HydrophobicContact CG1-CD2 4.29Å; V26-F33 HydrophobicContact CG2-CD1 4.28Å; V26-F33 HydrophobicContact CG2-CD2 4.13Å; V26-F33 HydrophobicContact CG2-CE1 3.98Å; V26-F33 HydrophobicContact CG2-CE2 3.84Å; V26-F33 HydrophobicContact CG2-CG 4.35Å; V26-F33 HydrophobicContact CG2-CZ 3.76Å; T29-F33 WeakPolarHBondContact O-CD2 3.41Å; P30-F33 PolarHBondContact O-N 3.25Å; P30-F33 VanDerWaalsContact O-N 3.13Å; F33-G36 PolarHBondContact O-N 2.99Å; F33-S37 PolarHBondContact O-N 3.08Å; F33-S37 PolarHBondContact O-OG 2.75Å; F33-T431 HydrophobicContact CD1-CG2 4.01Å; F33-A435 HydrophobicContact CB-CB 3.96Å
34I95.3Very high95.2Very high27 Ų2755.4 Ų55.414%0.13830%0.303CS..Hα-helixtrans-59.6-51.9177-64.9170.6000110.9P30 Y31 G36 S37 L38 F432 A435 V439P30-I34 WeakPolarHBondContact O-CG1 3.36Å; P30-I34 PolarHBondContact O-N 3.35Å; P30-I34 VanDerWaalsContact O-N 3.07Å; Y31-I34 PolarHBondContact O-N 3.09Å; I34-G36 VanDerWaalsContact C-N 3.32Å; I34-G36 PolarHBondContact O-N 2.97Å; I34-S37 PolarHBondContact O-N 3.44Å; I34-L38 HydrophobicContact CG2-CD1 4.08Å; I34-L38 WeakPolarHBondContact O-CG 3.41Å; I34-L38 PolarHBondContact O-N 3.07Å; I34-F432 HydrophobicContact CG2-CD2 4.28Å; I34-F432 HydrophobicContact CG2-CE2 4Å; I34-A435 HydrophobicContact CD1-CB 4.2Å; I34-A435 HydrophobicContact CG1-CB 3.7Å; I34-V439 HydrophobicContact CD1-CG2 3.88Å
35V96.1Very high95.4Very high79 Ų7954.3 Ų54.348%0.47931%0.305SS..Hα-helixtrans-63.8-40.4179.1173.70000110.8Y31 L38 L39Y31-V35 WeakPolarHBondContact O-CB 3.47Å; Y31-V35 WeakPolarHBondContact O-CG2 3.49Å; Y31-V35 PolarHBondContact O-N 3.12Å; V35-L38 PolarHBondContact O-N 3.34Å; V35-L39 HydrophobicContact CG1-CD1 3.85Å; V35-L39 HydrophobicContact CG1-CG 4.2Å; V35-L39 WeakPolarHBondContact O-CB 3.18Å; V35-L39 VanDerWaalsContact O-CG 3.28Å; V35-L39 WeakPolarHBondContact O-CG 3.43Å; V35-L39 PolarHBondContact O-N 2.97Å
36G96.6Very high95.5Very high36 Ų3656.7 Ų56.737%0.37132%0.317SS..Hα-helixtrans-59.4-46.8176.600000112.8L32 F33 I34 L39 L40L32-G36 PolarHBondContact O-N 2.66Å; F33-G36 PolarHBondContact O-N 2.99Å; I34-G36 VanDerWaalsContact C-N 3.32Å; I34-G36 PolarHBondContact O-N 2.97Å; G36-L39 PolarHBondContact O-N 2.96Å; G36-L40 WeakPolarHBondContact O-CB 3.45Å; G36-L40 PolarHBondContact O-N 3.19Å
37S97.5Very high95.6Very high6 Ų656.9 Ų56.94%0.04232%0.319CS..Hα-helixtrans-65.6-41.3178.1-55.60000111.8F33 I34 L40 T41 T431F33-S37 PolarHBondContact O-N 3.08Å; F33-S37 PolarHBondContact O-OG 2.75Å; I34-S37 PolarHBondContact O-N 3.44Å; S37-L40 PolarHBondContact O-N 2.92Å; S37-T41 PolarHBondContact O-N 3.39Å; S37-T41 PolarHBondContact O-OG1 3.42Å; S37-T431 WeakPolarHBondContact OG-CB 3.14Å; S37-T431 PolarHBondContact OG-OG1 3.28Å
38L97.1Very high95.7Very high89 Ų8959.9 Ų59.947%0.46633%0.333SS..Hα-helixtrans-64.1-41.5175.5-69.6172.3000112.5I34 V35 T41 G42 M323 F432I34-L38 HydrophobicContact CG2-CD1 4.08Å; I34-L38 WeakPolarHBondContact O-CG 3.41Å; I34-L38 PolarHBondContact O-N 3.07Å; V35-L38 PolarHBondContact O-N 3.34Å; L38-T41 PolarHBondContact O-N 2.86Å; L38-G42 PolarHBondContact O-N 2.84Å; L38-M323 HydrophobicContact CD2-CE 4.08Å; L38-M323 HydrophobicContact CD2-SD 4.07Å; L38-F432 HydrophobicContact CD2-CE2 4.28Å; L38-F432 HydrophobicContact CG-CE2 4.36Å
39L97.3Very high95.8Very high120 Ų12063.8 Ų63.863%0.62835%0.349SS*.Hα-helixtrans-65.5-39.9175.1-73.4175000111.6V35 G36 G42 S43V35-L39 HydrophobicContact CG1-CD1 3.85Å; V35-L39 HydrophobicContact CG1-CG 4.2Å; V35-L39 WeakPolarHBondContact O-CB 3.18Å; V35-L39 VanDerWaalsContact O-CG 3.28Å; V35-L39 WeakPolarHBondContact O-CG 3.43Å; V35-L39 PolarHBondContact O-N 2.97Å; G36-L39 PolarHBondContact O-N 2.96Å; L39-G42 PolarHBondContact O-N 3.28Å; L39-S43 WeakPolarHBondContact O-CB 3.35Å; L39-S43 PolarHBondContact O-N 3.42Å; L39-S43 PolarHBondContact O-OG 3.34Å
40L97.5Very high95.8Very high65 Ų6568.1 Ų68.134%0.3436%0.358SS..Hα-helixtrans-60.8-51.5175-17961.7000110.6G36 S37 G42 S43 L44 Y428G36-L40 WeakPolarHBondContact O-CB 3.45Å; G36-L40 PolarHBondContact O-N 3.19Å; S37-L40 PolarHBondContact O-N 2.92Å; L40-G42 VanDerWaalsContact C-N 3.34Å; L40-G42 PolarHBondContact O-N 3.05Å; L40-S43 PolarHBondContact O-N 3.48Å; L40-S43 PolarHBondContact O-OG 3.43Å; L40-L44 HydrophobicContact CD1-CD1 3.94Å; L40-L44 HydrophobicContact CD1-CG 4.21Å; L40-L44 HydrophobicContact CG-CD1 4.02Å; L40-L44 WeakPolarHBondContact O-CG 3.5Å; L40-L44 PolarHBondContact O-N 3.4Å; L40-Y428 HydrophobicContact CD2-CE1 4.01Å
41T97.7Very high95.6Very high13 Ų1372 Ų728%0.0838%0.375CS..Hα-helixtrans-57.9-46.4176.5-52.40000111.4S37 L38 S43 L44 S45 M323 I326 Y428S37-T41 PolarHBondContact O-N 3.39Å; S37-T41 PolarHBondContact O-OG1 3.42Å; L38-T41 PolarHBondContact O-N 2.86Å; T41-S43 VanDerWaalsContact C-N 3.34Å; T41-S43 PolarHBondContact O-N 3.23Å; T41-L44 PolarHBondContact O-N 3.06Å; T41-S45 WeakPolarHBondContact O-CB 3.4Å; T41-S45 PolarHBondContact O-N 3.01Å; T41-M323 HydrophobicContact CG2-CB 4.05Å; T41-M323 HydrophobicContact CG2-CG 4.15Å; T41-M323 VanDerWaalsContact OG1-CE 3.24Å; T41-M323 WeakPolarHBondContact OG1-CE 3.41Å; T41-I326 HydrophobicContact CG2-CB 4.21Å; T41-I326 HydrophobicContact CG2-CG2 3.98Å; T41-Y428 PolarHBondContact N-OH 3.43Å; T41-Y428 VanDerWaalsContact OG1-CZ 3.24Å; T41-Y428 PolarHBondContact OG1-OH 3.37Å
42G97Very high95.3Very high36 Ų3671.1 Ų71.137%0.37138%0.375SS..Hα-helixtrans-58.4-44.317700000112.3L38 L39 L40 S45L38-G42 PolarHBondContact O-N 2.84Å; L39-G42 PolarHBondContact O-N 3.28Å; L40-G42 VanDerWaalsContact C-N 3.34Å; L40-G42 PolarHBondContact O-N 3.05Å; G42-S45 PolarHBondContact O-N 2.85Å; G42-S45 PolarHBondContact O-OG 2.99Å
43S96.9Very high94.9Very high63 Ų6370 Ų7044%0.44137%0.367SS..Hα-helixtrans-65.3-43.1178.871.30000112.9L39 L40 T41 I46L39-S43 WeakPolarHBondContact O-CB 3.35Å; L39-S43 PolarHBondContact O-N 3.42Å; L39-S43 PolarHBondContact O-OG 3.34Å; L40-S43 PolarHBondContact O-N 3.48Å; L40-S43 PolarHBondContact O-OG 3.43Å; T41-S43 VanDerWaalsContact C-N 3.34Å; T41-S43 PolarHBondContact O-N 3.23Å; S43-I46 WeakPolarHBondContact O-CB 3.23Å; S43-I46 PolarHBondContact O-N 3.31Å
44L97.3Very high94.4Very high29 Ų2970.4 Ų70.415%0.15237%0.371CS..Hα-helixtrans-71.6-33.5179.7-67.2174000111.9L40 T41 I46 G47 G330 L331 F424L40-L44 HydrophobicContact CD1-CD1 3.94Å; L40-L44 HydrophobicContact CD1-CG 4.21Å; L40-L44 HydrophobicContact CG-CD1 4.02Å; L40-L44 WeakPolarHBondContact O-CG 3.5Å; L40-L44 PolarHBondContact O-N 3.4Å; T41-L44 PolarHBondContact O-N 3.06Å; L44-I46 PolarHBondContact O-N 3.08Å; L44-I46 VanDerWaalsContact O-N 3.13Å; L44-G47 PolarHBondContact O-N 2.9Å; L44-G330 CarbonylContact O-C 3.58Å; L44-G330 VanDerWaalsContact O-CA 3.24Å; L44-G330 WeakPolarHBondContact O-CA 3.42Å; L44-L331 HydrophobicContact CD2-CB 4.24Å; L44-L331 HydrophobicContact CD2-CD1 4.13Å; L44-F424 HydrophobicContact CD1-CD1 4.37Å; L44-F424 HydrophobicContact CD1-CE1 3.42Å; L44-F424 VanDerWaalsContact CD1-CE1 3.42Å; L44-F424 HydrophobicContact CD1-CE2 4.27Å; L44-F424 HydrophobicContact CD1-CZ 3.36Å
45S96.5Very high93.8Very high41 Ų4170 Ų7029%0.28737%0.369SS..Hα-helixtrans-60.2-23.5177.177.20000113.6T41 G42 G47 L48T41-S45 WeakPolarHBondContact O-CB 3.4Å; T41-S45 PolarHBondContact O-N 3.01Å; G42-S45 PolarHBondContact O-N 2.85Å; G42-S45 PolarHBondContact O-OG 2.99Å; S45-G47 PolarHBondContact O-N 3.1Å; S45-L48 VanDerWaalsContact O-CB 3.28Å; S45-L48 WeakPolarHBondContact O-CB 3.25Å; S45-L48 WeakPolarHBondContact O-CG 3.44Å; S45-L48 PolarHBondContact O-N 3.27Å
46I96Very high93Very high108 Ų10868 Ų6855%0.55436%0.356SS*.G310 helixtrans-58.5-31.6174.7-61.9171.8000110.8S43 L44 L48 K49S43-I46 WeakPolarHBondContact O-CB 3.23Å; S43-I46 PolarHBondContact O-N 3.31Å; L44-I46 PolarHBondContact O-N 3.08Å; L44-I46 VanDerWaalsContact O-N 3.13Å; I46-L48 PolarHBondContact O-N 3.23Å; I46-K49 WeakPolarHBondContact O-CB 3.41Å; I46-K49 WeakPolarHBondContact O-CG 3.35Å; I46-K49 PolarHBondContact O-N 2.65Å; I46-K49 VanDerWaalsContact O-N 3.1Å
47G94.5Very high92.2Very high3 Ų366.5 Ų66.53%0.03134%0.339CS..G310 helixtrans-61.4-24.6177.500000114.5L44 S45 K49 R50 G330 A333L44-G47 PolarHBondContact O-N 2.9Å; S45-G47 PolarHBondContact O-N 3.1Å; G47-K49 PolarHBondContact O-N 3.49Å; G47-K49 VanDerWaalsContact O-N 3.07Å; G47-R50 PolarHBondContact O-N 3.27Å; G47-G330 CarbonylContact C-O 3.6Å; G47-G330 VanDerWaalsContact CA-O 3.28Å; G47-G330 WeakPolarHBondContact CA-O 3.5Å; G47-A333 VanDerWaalsContact O-CB 3.3Å; G47-A333 WeakPolarHBondContact O-CB 3.33Å
48L94.2Very high91.2Very high70 Ų7067.8 Ų67.837%0.36634%0.344SS..G310 helixtrans-60.9-18.9174.5-62.6174.3000112.8S45 I46 R50 F51 I326 F329S45-L48 VanDerWaalsContact O-CB 3.28Å; S45-L48 WeakPolarHBondContact O-CB 3.25Å; S45-L48 WeakPolarHBondContact O-CG 3.44Å; S45-L48 PolarHBondContact O-N 3.27Å; I46-L48 PolarHBondContact O-N 3.23Å; L48-R50 PolarHBondContact O-N 3.27Å; L48-F51 WeakPolarHBondContact O-CB 3.41Å; L48-F51 PolarHBondContact O-N 3.01Å; L48-I326 HydrophobicContact CD1-CG2 4.47Å; L48-F329 HydrophobicContact CD2-CB 3.88Å
49K93.3Very high90.5Very high185 Ų18568.3 Ų68.380%0.80434%0.344SS*.G310 helixtrans-66.8-19.5171.8-66-174.7176.8-174.30113.5I46 G47I46-K49 WeakPolarHBondContact O-CB 3.41Å; I46-K49 WeakPolarHBondContact O-CG 3.35Å; I46-K49 PolarHBondContact O-N 2.65Å; I46-K49 VanDerWaalsContact O-N 3.1Å; G47-K49 PolarHBondContact O-N 3.49Å; G47-K49 VanDerWaalsContact O-N 3.07Å
50R93.2Very high89.9Confident154 Ų15463.1 Ų63.158%0.58132%0.317SS*.G310 helixtrans-101.621.8174.9-66.4-172.9174.8-172.3-2.5111.9G47 L48 Q52G47-R50 PolarHBondContact O-N 3.27Å; L48-R50 PolarHBondContact O-N 3.27Å; R50-Q52 PolarHBondContact O-N 3.07Å
51F90.1Very high89.2Confident88 Ų8860.5 Ų60.539%0.38630%0.303SS..  trans-58.6124.6177.9-176-94.1000110.5L48 Q53 F339L48-F51 WeakPolarHBondContact O-CB 3.41Å; L48-F51 PolarHBondContact O-N 3.01Å; F51-Q53 HydrophobicContact CE1-CB 4.07Å; F51-F339 HydrophobicContact CD2-CB 4.43Å; F51-F339 HydrophobicContact CE1-CB 4.33Å; F51-F339 HydrophobicContact CE2-CB 3.43Å; F51-F339 VanDerWaalsContact CE2-CB 3.43Å; F51-F339 HydrophobicContact CE2-CD1 4.36Å; F51-F339 HydrophobicContact CE2-CD2 4.03Å; F51-F339 AromaticContact CE2-CG 3.7Å; F51-F339 HydrophobicContact CE2-CG 3.7Å; F51-F339 HydrophobicContact CZ-CB 3.39Å; F51-F339 AromaticContact CZ-CD1 3.65Å; F51-F339 HydrophobicContact CZ-CD1 3.65Å; F51-F339 HydrophobicContact CZ-CD2 4.12Å; F51-F339 HydrophobicContact CZ-CE1 4.43Å; F51-F339 AromaticContact CZ-CG 3.45Å; F51-F339 HydrophobicContact CZ-CG 3.45Å; F51-F339 VanDerWaalsContact CZ-CG 3.45Å
52Q88.2Confident88.5Confident125 Ų12560 Ų6058%0.58430%0.3SS*.  trans-125.2136.7174.4-70.1-178.6-11.800107.6R50 P338 F339R50-Q52 PolarHBondContact O-N 3.07Å; Q52-P338 CarbonylContact O-C 3.58Å; Q52-P338 WeakPolarHBondContact O-CA 3.39Å; Q52-F339 PolarHBondContact O-N 3.13Å
53Q86.2Confident87.9Confident94 Ų9458.7 Ų58.744%0.43928%0.284SS..BIsolated β-bridgetrans-112.1135.3177.2178.7167.1-12.500108.9F51 D55 F339F51-Q53 HydrophobicContact CE1-CB 4.07Å; Q53-D55 VanDerWaalsContact CG-OD2 3.27Å; Q53-D55 WeakPolarHBondContact CG-OD2 3.37Å; Q53-D55 PolarHBondContact NE2-OD2 3.25Å; Q53-F339 CarbonylContact C-O 3.59Å; Q53-F339 WeakPolarHBondContact CA-O 3.33Å; Q53-F339 HydrophobicContact CG-CD1 4.09Å
54N84.4Confident87.3Confident47 Ų4758.9 Ų58.925%0.25128%0.283SS..  trans-130.3119.1172-1778.7000107.7D56 L60 P338 F339 N340N54-D56 WeakPolarHBondContact OD1-CB 3.32Å; N54-D56 PolarHBondContact OD1-N 2.95Å; N54-L60 VanDerWaalsContact O-CD1 3.31Å; N54-L60 WeakPolarHBondContact O-CD1 3.49Å; N54-P338 HydrophobicContact CB-CB 3.74Å; N54-P338 HydrophobicContact CB-CG 4.18Å; N54-F339 PolarHBondContact N-O 3.34Å; N54-N340 WeakPolarHBondContact O-CB 3.28Å
55D81.6Confident86.6Confident18 Ų1863.5 Ų63.510%0.09631%0.308CS..  trans-124.624174.6-67.8-62000111.4Q53 L57 N272 V275 S276 S341Q53-D55 VanDerWaalsContact CG-OD2 3.27Å; Q53-D55 WeakPolarHBondContact CG-OD2 3.37Å; Q53-D55 PolarHBondContact NE2-OD2 3.25Å; D55-L57 PolarHBondContact O-N 3.23Å; D55-N272 PolarHBondContact O-OD1 3.32Å; D55-V275 HydrophobicContact CB-CG1 4.42Å; D55-S276 WeakPolarHBondContact OD2-CB 3.11Å; D55-S341 VanDerWaalsContact CG-OG 3.24Å; D55-S341 WeakPolarHBondContact OD1-CB 3.44Å; D55-S341 PolarHBondContact OD1-N 3.43Å; D55-S341 PolarHBondContact OD1-OG 2.96Å; D55-S341 PolarHBondContact OD2-OG 3.24Å
56D81Confident86.1Confident37 Ų3762 Ų6220%0.19830%0.298CS..  trans-63.1105.2172.5-177.1-26.3000109.3N54 K58 Q59 L60N54-D56 WeakPolarHBondContact OD1-CB 3.32Å; N54-D56 PolarHBondContact OD1-N 2.95Å; D56-K58 VanDerWaalsContact C-N 3.31Å; D56-K58 PolarHBondContact O-N 2.93Å; D56-K58 WeakPolarHBondContact OD1-CB 3.29Å; D56-K58 PolarHBondContact OD1-N 3.42Å; D56-Q59 HydrophobicContact CB-CB 4.16Å; D56-Q59 HydrophobicContact CB-CG 4.24Å; D56-Q59 PolarHBondContact O-N 3.24Å; D56-Q59 PolarHBondContact OD1-N 3.35Å; D56-Q59 VanDerWaalsContact OD1-N 3.13Å; D56-Q59 VanDerWaalsContact OD2-CD 3.25Å; D56-Q59 WeakPolarHBondContact OD2-CG 3.29Å; D56-Q59 PolarHBondContact OD2-NE2 2.87Å; D56-L60 WeakPolarHBondContact O-CB 3.4Å; D56-L60 VanDerWaalsContact O-CG 3.29Å; D56-L60 WeakPolarHBondContact O-CG 3.45Å; D56-L60 PolarHBondContact O-N 3.42Å
57L78.1Confident85.7Confident5 Ų559 Ų593%0.02629%0.285CS..Hα-helixtrans-60.8-41.8-175.5-166156.3000111.5D55 Q59 L60 Y61 V271 N272 V275 L577 L580 Y737D55-L57 PolarHBondContact O-N 3.23Å; L57-Q59 VanDerWaalsContact C-N 3.31Å; L57-Q59 PolarHBondContact O-N 3.28Å; L57-L60 PolarHBondContact O-N 3.39Å; L57-Y61 HydrophobicContact CD2-CD2 4.38Å; L57-Y61 HydrophobicContact CG-CD2 3.93Å; L57-Y61 HydrophobicContact CG-CE2 4.32Å; L57-Y61 WeakPolarHBondContact O-CB 3.48Å; L57-Y61 WeakPolarHBondContact O-CD2 3.28Å; L57-Y61 PolarHBondContact O-N 3.31Å; L57-Y61 VanDerWaalsContact O-N 3.09Å; L57-V271 HydrophobicContact CD1-CG1 3.74Å; L57-N272 PolarHBondContact N-OD1 3.03Å; L57-V275 HydrophobicContact CD1-CG2 3.99Å; L57-L577 HydrophobicContact CD1-CD1 4.43Å; L57-L577 HydrophobicContact CD1-CD2 3.67Å; L57-L577 HydrophobicContact CD1-CG 3.67Å; L57-L577 HydrophobicContact CD2-CD1 3.57Å; L57-L577 HydrophobicContact CD2-CD2 3.97Å; L57-L577 HydrophobicContact CD2-CG 3.75Å; L57-L577 HydrophobicContact CG-CD2 4.46Å; L57-L577 HydrophobicContact CG-CG 4.4Å; L57-L580 HydrophobicContact CD1-CB 4.49Å; L57-L580 HydrophobicContact CD1-CD1 3.71Å; L57-L580 HydrophobicContact CD2-CD1 4.35Å; L57-L580 HydrophobicContact CG-CD1 3.94Å; L57-Y737 HydrophobicContact CD2-CE2 4.23Å
58K77.9Confident85.3Confident34 Ų3459.5 Ų59.515%0.14829%0.287CS..Hα-helixtrans-66.7-36-177.8-64.9178.4-175.6169.10110.5D56 T62 D268 Y737D56-K58 VanDerWaalsContact C-N 3.31Å; D56-K58 PolarHBondContact O-N 2.93Å; D56-K58 WeakPolarHBondContact OD1-CB 3.29Å; D56-K58 PolarHBondContact OD1-N 3.42Å; K58-T62 VanDerWaalsContact O-CB 3.25Å; K58-T62 WeakPolarHBondContact O-CB 3.37Å; K58-T62 PolarHBondContact O-OG1 3.16Å; K58-D268 VanDerWaalsContact CE-OD1 3.26Å; K58-D268 WeakPolarHBondContact CE-OD1 3.4Å; K58-D268 IonicContact NZ-OD1 3.03Å; K58-D268 PolarHBondContact NZ-OD1 3.24Å; K58-D268 IonicContact NZ-OD2 3.26Å; K58-D268 PolarHBondContact NZ-OD2 3.39Å; K58-Y737 HydrophobicContact CD-CE1 4.07Å; K58-Y737 HydrophobicContact CG-CD1 4.38Å; K58-Y737 HydrophobicContact CG-CD2 4.41Å; K58-Y737 HydrophobicContact CG-CE1 3.97Å; K58-Y737 HydrophobicContact CG-CE2 3.99Å
59Q81.2Confident85Confident99 Ų9960 Ų6046%0.46329%0.287SS..Hα-helixtrans-77.2-41.2177.4-67.2-18029.700112.7D56 L57D56-Q59 HydrophobicContact CB-CB 4.16Å; D56-Q59 HydrophobicContact CB-CG 4.24Å; D56-Q59 PolarHBondContact O-N 3.24Å; D56-Q59 PolarHBondContact OD1-N 3.35Å; D56-Q59 VanDerWaalsContact OD1-N 3.13Å; D56-Q59 VanDerWaalsContact OD2-CD 3.25Å; D56-Q59 WeakPolarHBondContact OD2-CG 3.29Å; D56-Q59 PolarHBondContact OD2-NE2 2.87Å; L57-Q59 VanDerWaalsContact C-N 3.31Å; L57-Q59 PolarHBondContact O-N 3.28Å
60L84.2Confident84.8Confident11 Ų1156.1 Ų56.16%0.05827%0.271CS..Hα-helixtrans-77.7-29.7-170.7-72.7170.3000113.9N54 D56 L57 N340 T408 P409 A410N54-L60 VanDerWaalsContact O-CD1 3.31Å; N54-L60 WeakPolarHBondContact O-CD1 3.49Å; D56-L60 WeakPolarHBondContact O-CB 3.4Å; D56-L60 VanDerWaalsContact O-CG 3.29Å; D56-L60 WeakPolarHBondContact O-CG 3.45Å; D56-L60 PolarHBondContact O-N 3.42Å; L57-L60 PolarHBondContact O-N 3.39Å; L60-N340 HydrophobicContact CD1-CB 4.11Å; L60-T408 WeakPolarHBondContact O-CG2 3.41Å; L60-P409 WeakPolarHBondContact O-CD 3.34Å; L60-A410 HydrophobicContact CB-CB 4.2Å; L60-A410 VanDerWaalsContact O-CB 3.27Å; L60-A410 WeakPolarHBondContact O-CB 3.29Å; L60-A410 PolarHBondContact O-N 3.02Å
61Y83.6Confident84.7Confident11 Ų1149 Ų494%0.04325%0.245CC..Hα-helixtrans-104-14.1-173.7-70.5-86000113L57 I342 A410 L580 Q741 P801 I802L57-Y61 HydrophobicContact CD2-CD2 4.38Å; L57-Y61 HydrophobicContact CG-CD2 3.93Å; L57-Y61 HydrophobicContact CG-CE2 4.32Å; L57-Y61 WeakPolarHBondContact O-CB 3.48Å; L57-Y61 WeakPolarHBondContact O-CD2 3.28Å; L57-Y61 PolarHBondContact O-N 3.31Å; L57-Y61 VanDerWaalsContact O-N 3.09Å; Y61-I342 HydrophobicContact CE1-CD1 3.96Å; Y61-I342 WeakPolarHBondContact OH-CD1 3.41Å; Y61-I342 WeakPolarHBondContact OH-CG1 3.29Å; Y61-A410 HydrophobicContact CD1-CB 4.39Å; Y61-A410 HydrophobicContact CE1-CB 4.21Å; Y61-L580 HydrophobicContact CD1-CD1 4.25Å; Y61-L580 HydrophobicContact CD2-CD1 4.08Å; Y61-L580 HydrophobicContact CE1-CD1 3.96Å; Y61-L580 HydrophobicContact CE1-CD2 3.91Å; Y61-L580 HydrophobicContact CE2-CD1 3.79Å; Y61-L580 HydrophobicContact CG-CD1 4.28Å; Y61-L580 WeakPolarHBondContact OH-CD2 3.49Å; Y61-Q741 PolarHBondContact O-NE2 3.27Å; Y61-P801 HydrophobicContact CD1-CB 4.29Å; Y61-P801 HydrophobicContact CD1-CG 4.17Å; Y61-I802 HydrophobicContact CE1-CD1 4.09Å
62T83.3Confident84.5Confident3 Ų349 Ų492%0.01825%0.245CC..SBendtrans-77.3129.9174.5-53.10000110.9K58 V64 S66 F69 P409 Y737K58-T62 VanDerWaalsContact O-CB 3.25Å; K58-T62 WeakPolarHBondContact O-CB 3.37Å; K58-T62 PolarHBondContact O-OG1 3.16Å; T62-V64 PolarHBondContact O-N 2.96Å; T62-S66 VanDerWaalsContact CG2-CB 3.47Å; T62-S66 WeakPolarHBondContact CG2-OG 3.42Å; T62-F69 HydrophobicContact CG2-CD2 4.36Å; T62-F69 HydrophobicContact CG2-CE2 3.73Å; T62-F69 HydrophobicContact CG2-CZ 3.83Å; T62-P409 WeakPolarHBondContact O-CD 3.48Å; T62-Y737 WeakPolarHBondContact OG1-CB 3.4Å
63P84.6Confident84.5Confident7 Ų749.3 Ų49.35%0.04525%0.246CC..  trans-55.8136.8174.5-24.733.9000111.9N65 S66 F69 D407 S744P63-N65 PolarHBondContact O-N 2.94Å; P63-N65 VanDerWaalsContact O-N 3.14Å; P63-S66 WeakPolarHBondContact O-CB 3.11Å; P63-S66 PolarHBondContact O-N 2.98Å; P63-F69 VanDerWaalsContact O-CE2 3.29Å; P63-F69 WeakPolarHBondContact O-CE2 3.37Å; P63-D407 CarbonylContact C-O 3.34Å; P63-D407 WeakPolarHBondContact CA-O 3.49Å; P63-D407 HydrophobicContact CB-CB 4.01Å; P63-S744 WeakPolarHBondContact CG-OG 3.25Å
64V84.5Confident84.7Confident68 Ų6846.1 Ų46.141%0.41223%0.233SC..THydrogen-bonded Turntrans-57-34.1-175.2176.50000113.2T62 S66 D407 P409T62-V64 PolarHBondContact O-N 2.96Å; V64-S66 VanDerWaalsContact C-N 3.29Å; V64-S66 PolarHBondContact O-N 3.27Å; V64-D407 WeakPolarHBondContact CG2-O 3.33Å; V64-D407 PolarHBondContact N-O 3.44Å; V64-P409 HydrophobicContact CG2-CG 3.83Å
65N82.7Confident84.8Confident125 Ų12544.9 Ų44.967%0.66823%0.226SC*.THydrogen-bonded Turntrans-90.314179.2-60-39.6000113.3P63 D407P63-N65 PolarHBondContact O-N 2.94Å; P63-N65 VanDerWaalsContact O-N 3.14Å; N65-D407 PolarHBondContact ND2-OD1 2.89Å
66S85.9Confident85Confident11 Ų1148.1 Ų48.18%0.07724%0.244CC..  trans-64.7133.9-179.1161.50000111.4T62 P63 V64 T68 F69 D740T62-S66 VanDerWaalsContact CG2-CB 3.47Å; T62-S66 WeakPolarHBondContact CG2-OG 3.42Å; P63-S66 WeakPolarHBondContact O-CB 3.11Å; P63-S66 PolarHBondContact O-N 2.98Å; V64-S66 VanDerWaalsContact C-N 3.29Å; V64-S66 PolarHBondContact O-N 3.27Å; S66-T68 PolarHBondContact O-N 3.21Å; S66-T68 VanDerWaalsContact O-N 3.17Å; S66-T68 WeakPolarHBondContact OG-CB 3.5Å; S66-T68 PolarHBondContact OG-N 2.86Å; S66-T68 PolarHBondContact OG-OG1 2.99Å; S66-F69 PolarHBondContact O-N 3.19Å; S66-D740 PolarHBondContact OG-OD2 3.36Å
67P87Confident85.3Confident45 Ų4548.4 Ų48.429%0.29225%0.248SC..Hα-helixtrans-54.8-30.1170-25.133.6000113F69 H70 E71 D740P67-F69 PolarHBondContact O-N 3.31Å; P67-F69 VanDerWaalsContact O-N 3.08Å; P67-H70 PolarHBondContact O-N 2.89Å; P67-E71 VanDerWaalsContact O-CG 3.27Å; P67-E71 WeakPolarHBondContact O-CG 3.39Å; P67-E71 PolarHBondContact O-N 3.08Å; P67-D740 WeakPolarHBondContact CD-OD2 3.34Å
68T86.5Confident85.8Confident12 Ų1248.3 Ų48.37%0.07425%0.248CC..Hα-helixtrans-52.4-34.9-178.6-61.10000113.2S66 E71 K72 S736 Y737 D740S66-T68 PolarHBondContact O-N 3.21Å; S66-T68 VanDerWaalsContact O-N 3.17Å; S66-T68 WeakPolarHBondContact OG-CB 3.5Å; S66-T68 PolarHBondContact OG-N 2.86Å; S66-T68 PolarHBondContact OG-OG1 2.99Å; T68-E71 WeakPolarHBondContact CA-OE2 3.34Å; T68-E71 PolarHBondContact O-N 2.97Å; T68-K72 WeakPolarHBondContact O-CB 3.08Å; T68-K72 PolarHBondContact O-N 3.12Å; T68-S736 VanDerWaalsContact OG1-C 3.29Å; T68-S736 WeakPolarHBondContact OG1-CB 3.41Å; T68-S736 PolarHBondContact OG1-OG 3.49Å; T68-Y737 PolarHBondContact OG1-N 3.34Å; T68-D740 PolarHBondContact N-OD2 2.8Å; T68-D740 PolarHBondContact OG1-OD2 3.16Å
69F87.5Confident86Confident82 Ų8252.9 Ų52.936%0.3626%0.264SS..Hα-helixtrans-65.2-45.1178-70.3-60.7000112.2T62 P63 S66 P67 K72 E73T62-F69 HydrophobicContact CG2-CD2 4.36Å; T62-F69 HydrophobicContact CG2-CE2 3.73Å; T62-F69 HydrophobicContact CG2-CZ 3.83Å; P63-F69 VanDerWaalsContact O-CE2 3.29Å; P63-F69 WeakPolarHBondContact O-CE2 3.37Å; S66-F69 PolarHBondContact O-N 3.19Å; P67-F69 PolarHBondContact O-N 3.31Å; P67-F69 VanDerWaalsContact O-N 3.08Å; F69-K72 PolarHBondContact O-N 3.12Å; F69-E73 WeakPolarHBondContact O-CB 3.35Å; F69-E73 PolarHBondContact O-N 3.18Å
70H88.6Confident86Confident103 Ų10351.8 Ų51.848%0.47727%0.272SS..Hα-helixtrans-67.6-42.2176.1179.159.8000111.4P67 K72 E73 V74P67-H70 PolarHBondContact O-N 2.89Å; H70-K72 VanDerWaalsContact C-N 3.31Å; H70-K72 PolarHBondContact O-N 3.45Å; H70-E73 PolarHBondContact O-N 3.48Å; H70-V74 WeakPolarHBondContact O-CG2 3.44Å; H70-V74 PolarHBondContact O-N 3.34Å
71E90.6Very high86.2Confident5 Ų553.5 Ų53.52%0.02328%0.277CS..Hα-helixtrans-58.4-44.4176.9-64.1170.3172.100111.2P67 T68 V74 D75 R718 T730 I731 F732 S736P67-E71 VanDerWaalsContact O-CG 3.27Å; P67-E71 WeakPolarHBondContact O-CG 3.39Å; P67-E71 PolarHBondContact O-N 3.08Å; T68-E71 WeakPolarHBondContact CA-OE2 3.34Å; T68-E71 PolarHBondContact O-N 2.97Å; E71-V74 PolarHBondContact O-N 3.06Å; E71-D75 PolarHBondContact O-N 3.39Å; E71-R718 IonicContact OE1-CZ 3.97Å; E71-R718 IonicContact OE1-NE 3.32Å; E71-R718 PolarHBondContact OE1-NE 3.37Å; E71-R718 IonicContact OE1-NH2 2.86Å; E71-R718 PolarHBondContact OE1-NH2 3.5Å; E71-R718 IonicContact OE2-CZ 3.62Å; E71-R718 IonicContact OE2-NE 3.59Å; E71-R718 IonicContact OE2-NH2 3.66Å; E71-R718 PolarHBondContact OE2-NH2 2.68Å; E71-T730 HydrophobicContact CB-CG2 4.29Å; E71-T730 HydrophobicContact CG-CG2 4.01Å; E71-I731 VanDerWaalsContact CB-O 3.3Å; E71-I731 WeakPolarHBondContact CB-O 3.25Å; E71-I731 WeakPolarHBondContact CG-O 3.2Å; E71-F732 HydrophobicContact CB-CD2 4.26Å; E71-S736 PolarHBondContact OE2-OG 3.01Å; E71-S736 VanDerWaalsContact OE2-OG 3.06Å
72K86.6Confident86.1Confident88 Ų8859.6 Ų59.638%0.38330%0.304SS..Hα-helixtrans-68.2-37.3176.1-174.5176.6-178.4-179.20112.5T68 F69 H70 D75 N76 F732T68-K72 WeakPolarHBondContact O-CB 3.08Å; T68-K72 PolarHBondContact O-N 3.12Å; F69-K72 PolarHBondContact O-N 3.12Å; H70-K72 VanDerWaalsContact C-N 3.31Å; H70-K72 PolarHBondContact O-N 3.45Å; K72-D75 PolarHBondContact O-N 3.18Å; K72-N76 VanDerWaalsContact O-CB 3.3Å; K72-N76 WeakPolarHBondContact O-CB 3.44Å; K72-N76 PolarHBondContact O-N 3.07Å; K72-N76 PolarHBondContact O-ND2 2.66Å; K72-F732 HydrophobicContact CB-CE2 4.15Å; K72-F732 HydrophobicContact CG-CE2 4.43Å
73E88Confident86.2Confident130 Ų13061.8 Ų61.861%0.60732%0.319SS*.Hα-helixtrans-63.3-42.9174.4-174.2-178.6-175.100111.2F69 H70 N76 S77F69-E73 WeakPolarHBondContact O-CB 3.35Å; F69-E73 PolarHBondContact O-N 3.18Å; H70-E73 PolarHBondContact O-N 3.48Å; E73-N76 PolarHBondContact O-N 3.31Å; E73-S77 VanDerWaalsContact O-CB 3.28Å; E73-S77 WeakPolarHBondContact O-CB 3.46Å; E73-S77 PolarHBondContact O-N 3.24Å
74V90Very high86Confident28 Ų2865.2 Ų65.217%0.1734%0.341CS..Hα-helixtrans-63.1-45.1176.5172.20000111.1H70 E71 S77 F78 H607 T730H70-V74 WeakPolarHBondContact O-CG2 3.44Å; H70-V74 PolarHBondContact O-N 3.34Å; E71-V74 PolarHBondContact O-N 3.06Å; V74-S77 PolarHBondContact O-N 3.4Å; V74-S77 PolarHBondContact O-OG 3.11Å; V74-F78 PolarHBondContact O-N 3.37Å; V74-H607 HydrophobicContact CG1-CB 3.93Å; V74-T730 HydrophobicContact CB-CG2 4.03Å; V74-T730 HydrophobicContact CG1-CG2 4.22Å; V74-T730 HydrophobicContact CG2-CG2 4.04Å
75D88Confident85.3Confident21 Ų2165.4 Ų65.411%0.11236%0.357CS..Hα-helixtrans-60.9-49.2174.5-178.264.8000111.6E71 K72 S77 F78 W79 H607 F732E71-D75 PolarHBondContact O-N 3.39Å; K72-D75 PolarHBondContact O-N 3.18Å; D75-S77 VanDerWaalsContact C-N 3.3Å; D75-S77 PolarHBondContact O-N 3.46Å; D75-F78 WeakPolarHBondContact O-CA 3.35Å; D75-F78 VanDerWaalsContact O-CB 3.25Å; D75-F78 WeakPolarHBondContact O-CB 3.31Å; D75-F78 PolarHBondContact O-N 3.12Å; D75-W79 PolarHBondContact O-N 2.9Å; D75-W79 VanDerWaalsContact O-N 3.14Å; D75-W79 PolarHBondContact OD1-NE1 3.33Å; D75-W79 PolarHBondContact OD2-NE1 3.43Å; D75-H607 IonicContact OD1-CE1 3.02Å; D75-H607 PolarHBondContact OD1-CE1 3.33Å; D75-H607 IonicContact OD1-NE2 3.1Å; D75-H607 PolarHBondContact OD1-NE2 2.94Å; D75-F732 HydrophobicContact CB-CB 4.38Å; D75-F732 HydrophobicContact CB-CD1 3.85Å; D75-F732 HydrophobicContact CB-CD2 3.89Å; D75-F732 HydrophobicContact CB-CE1 4.05Å; D75-F732 HydrophobicContact CB-CE2 4.1Å; D75-F732 HydrophobicContact CB-CG 3.76Å; D75-F732 HydrophobicContact CB-CZ 4.17Å
76N84.6Confident84.4Confident86 Ų8662.6 Ų62.646%0.4634%0.344SS..Hα-helixtrans-58.1-42175.6-74.6-19.6000112.2K72 E73 F78 W79 A80K72-N76 VanDerWaalsContact O-CB 3.3Å; K72-N76 WeakPolarHBondContact O-CB 3.44Å; K72-N76 PolarHBondContact O-N 3.07Å; K72-N76 PolarHBondContact O-ND2 2.66Å; E73-N76 PolarHBondContact O-N 3.31Å; N76-F78 PolarHBondContact O-N 3.19Å; N76-W79 PolarHBondContact O-N 3.11Å; N76-A80 VanDerWaalsContact O-CB 3.31Å; N76-A80 WeakPolarHBondContact O-CB 3.32Å; N76-A80 PolarHBondContact O-N 3.44Å
77S87.4Confident82.7Confident43 Ų4369.4 Ų69.430%0.30138%0.38SS..Hα-helixtrans-63.4-32.6177.483.70000112E73 V74 D75 W81E73-S77 VanDerWaalsContact O-CB 3.28Å; E73-S77 WeakPolarHBondContact O-CB 3.46Å; E73-S77 PolarHBondContact O-N 3.24Å; V74-S77 PolarHBondContact O-N 3.4Å; V74-S77 PolarHBondContact O-OG 3.11Å; D75-S77 VanDerWaalsContact C-N 3.3Å; D75-S77 PolarHBondContact O-N 3.46Å; S77-W81 WeakPolarHBondContact O-CB 3.44Å; S77-W81 PolarHBondContact O-N 3.41Å; S77-W81 VanDerWaalsContact O-N 3.09Å
78F89Confident80.2Confident3 Ų378.1 Ų78.11%0.01341%0.407CS..Hα-helixtrans-67.9-39.6176.7-179.1-87.3000111.4V74 D75 N76 M679 R681 R694 F696V74-F78 PolarHBondContact O-N 3.37Å; D75-F78 WeakPolarHBondContact O-CA 3.35Å; D75-F78 VanDerWaalsContact O-CB 3.25Å; D75-F78 WeakPolarHBondContact O-CB 3.31Å; D75-F78 PolarHBondContact O-N 3.12Å; N76-F78 PolarHBondContact O-N 3.19Å; F78-M679 WeakPolarHBondContact CZ-O 3.38Å; F78-R681 HydrophobicContact CD2-CG 3.98Å; F78-R681 HydrophobicContact CE1-CG 4.31Å; F78-R681 VanDerWaalsContact CE1-CZ 3.41Å; F78-R681 HydrophobicContact CE2-CB 4.42Å; F78-R681 HydrophobicContact CE2-CG 3.5Å; F78-R681 VanDerWaalsContact CE2-CG 3.5Å; F78-R681 HydrophobicContact CZ-CG 3.67Å; F78-R681 PolarHBondContact O-NE 2.91Å; F78-R694 HydrophobicContact CD2-CG 3.82Å; F78-R694 HydrophobicContact CE2-CG 4.01Å; F78-F696 AromaticContact CD1-CD1 3.86Å; F78-F696 HydrophobicContact CD1-CD1 3.86Å; F78-F696 HydrophobicContact CD1-CE1 4.01Å; F78-F696 HydrophobicContact CD2-CD1 4.44Å; F78-F696 AromaticContact CE1-CD1 3.38Å; F78-F696 HydrophobicContact CE1-CD1 3.38Å; F78-F696 AromaticContact CE1-CE1 3.37Å; F78-F696 HydrophobicContact CE1-CE1 3.37Å; F78-F696 HydrophobicContact CE2-CD1 4.01Å; F78-F696 HydrophobicContact CG-CD1 4.39Å; F78-F696 AromaticContact CZ-CD1 3.47Å; F78-F696 HydrophobicContact CZ-CD1 3.47Å; F78-F696 VanDerWaalsContact CZ-CD1 3.47Å; F78-F696 AromaticContact CZ-CE1 3.82Å; F78-F696 HydrophobicContact CZ-CE1 3.82Å
79W83Confident77.8Confident130 Ų13082.5 Ų82.549%0.49244%0.437SS..Hα-helixtrans-79-29.9177.6-62.8111.2000113.5D75 N76 W81 R681 F696D75-W79 PolarHBondContact O-N 2.9Å; D75-W79 VanDerWaalsContact O-N 3.14Å; D75-W79 PolarHBondContact OD1-NE1 3.33Å; D75-W79 PolarHBondContact OD2-NE1 3.43Å; N76-W79 PolarHBondContact O-N 3.11Å; W79-W81 VanDerWaalsContact C-N 3.34Å; W79-R681 VanDerWaalsContact CZ3-NH2 3.26Å; W79-F696 HydrophobicContact CH2-CE1 4.06Å; W79-F696 HydrophobicContact CH2-CZ 4.28Å; W79-F696 AromaticContact CZ2-CE1 3.87Å; W79-F696 HydrophobicContact CZ2-CE1 3.87Å; W79-F696 HydrophobicContact CZ2-CZ 4.11Å
80A81.2Confident75.2Confident75 Ų7581.7 Ų81.762%0.6244%0.442SS*.Hα-helixtrans-84-7176.900000114N76N76-A80 VanDerWaalsContact O-CB 3.31Å; N76-A80 WeakPolarHBondContact O-CB 3.32Å; N76-A80 PolarHBondContact O-N 3.44Å
81W87Confident72.5Confident47 Ų4786 Ų8618%0.17846%0.459CS..  trans-59.2137.6-175.2-177.293.9000112.6S77 W79 P83 R681 W682 Y683 D693S77-W81 WeakPolarHBondContact O-CB 3.44Å; S77-W81 PolarHBondContact O-N 3.41Å; S77-W81 VanDerWaalsContact O-N 3.09Å; W79-W81 VanDerWaalsContact C-N 3.34Å; W81-P83 HydrophobicContact CH2-CB 3.72Å; W81-P83 HydrophobicContact CZ2-CB 4.45Å; W81-P83 HydrophobicContact CZ3-CB 4.02Å; W81-P83 HydrophobicContact CZ3-CG 4.33Å; W81-R681 HydrophobicContact CB-CG 4.25Å; W81-R681 HydrophobicContact CD2-CB 3.72Å; W81-R681 HydrophobicContact CD2-CG 4.1Å; W81-R681 HydrophobicContact CE3-CB 3.7Å; W81-R681 HydrophobicContact CE3-CG 4.03Å; W81-R681 HydrophobicContact CG-CB 4.21Å; W81-R681 HydrophobicContact CG-CG 4.22Å; W81-R681 HydrophobicContact CH2-CB 4.25Å; W81-R681 HydrophobicContact CZ2-CB 4.3Å; W81-R681 HydrophobicContact CZ3-CB 3.96Å; W81-W682 WeakPolarHBondContact CH2-O 3.45Å; W81-Y683 HydrophobicContact CH2-CD1 4.05Å; W81-Y683 AromaticContact CZ2-CD1 3.84Å; W81-Y683 HydrophobicContact CZ2-CD1 3.84Å; W81-Y683 HydrophobicContact CZ2-CE1 4.45Å; W81-D693 HydrophobicContact CZ2-CB 3.79Å; W81-D693 PolarHBondContact NE1-OD2 3.47Å
82K82.9Confident69.7Low140 Ų14089 Ų8961%0.60948%0.481SS*.  trans-126.1145.9171.9-65.8-176.7-177.9177.50109.8
83P84Confident67.1Low49 Ų4990.8 Ų90.832%0.31850%0.499SS..  trans-64.9142.8179.920.9-26.5000111.5W81 T86W81-P83 HydrophobicContact CH2-CB 3.72Å; W81-P83 HydrophobicContact CZ2-CB 4.45Å; W81-P83 HydrophobicContact CZ3-CB 4.02Å; W81-P83 HydrophobicContact CZ3-CG 4.33Å; P83-T86 HydrophobicContact CG-CG2 3.75Å; P83-T86 PolarHBondContact O-N 3.07Å; P83-T86 PolarHBondContact O-OG1 3.33Å
84P80.4Confident64.4Low79 Ų7992.1 Ų92.151%0.51351%0.505SS..THydrogen-bonded Turntrans-53.3141.7177.9-24.833.9000112.2Y683P84-Y683 HydrophobicContact CG-CD1 4.12Å; P84-Y683 HydrophobicContact CG-CD2 4.22Å; P84-Y683 HydrophobicContact CG-CE1 3.84Å; P84-Y683 HydrophobicContact CG-CE2 3.95Å; P84-Y683 HydrophobicContact CG-CG 4.3Å
85G70.3Confident61.5Low72 Ų7293.5 Ų93.574%0.74252%0.516SS*.THydrogen-bonded Turntrans89.1-9.5179.700000115.7N87G85-N87 PolarHBondContact O-N 2.76Å; G85-N87 VanDerWaalsContact O-N 3.11Å
86T64.9Low58.6Low65 Ų65100 Ų10040%0.39955%0.551SS.*THydrogen-bonded Turntrans-74.27.2178.451.60000115.7P83 R88P83-T86 HydrophobicContact CG-CG2 3.75Å; P83-T86 PolarHBondContact O-N 3.07Å; P83-T86 PolarHBondContact O-OG1 3.33Å; T86-R88 PolarHBondContact O-N 3.31Å
87N48.3Very low56.1Low155 Ų15599.2 Ų99.283%0.82955%0.552SS**THydrogen-bonded Turntrans-73.3-1.8176.2-80-6.5000114.3G85G85-N87 PolarHBondContact O-N 2.76Å; G85-N87 VanDerWaalsContact O-N 3.11Å
88R35.7Very low53.2Low228 Ų228101.4 Ų101.486%0.8657%0.572SS**SBendtrans-88.2112.7169-72.1-175.4-175.6176.93.5109.5T86T86-R88 PolarHBondContact O-N 3.31Å
89S36.1Very low50.2Low103 Ų103104.8 Ų104.872%0.7261%0.609SS**SBendtrans75.566.8170.172.90000118
90S33.2Very low47.6Very low65 Ų65103 Ų10346%0.45562%0.616SS.*  trans-12621.6153.451.40000113.7
91K32.2Very low45Very low194 Ų194105.7 Ų105.784%0.84363%0.63SS**THydrogen-bonded Turntrans-77.5-4.2159.4-89-169.2175.4-176.60113.7S95K91-S95 PolarHBondContact O-OG 3.41Å
92S31.4Very low42.3Very low69 Ų69106.8 Ų106.848%0.48365%0.645SS.*THydrogen-bonded Turntrans-106.5-7.3-173.752.20000116.3S95S92-S95 WeakPolarHBondContact CA-OG 3.46Å; S92-S95 PolarHBondContact O-OG 3.34Å
93V31Very low39.9Very low124 Ų124108.8 Ų108.875%0.75266%0.662SS**THydrogen-bonded Turntrans-102.2-20.2172.9-178.50000112.2
94E31Very low38Very low159 Ų159108.1 Ų108.174%0.74366%0.664SS**SBendtrans-80-20.7166.5-73.9176.1173.600112.5
95S29.3Very low36.9Very low57 Ų57111.7 Ų111.740%0.39967%0.674SS.*G310 helixtrans-79.9-18-175.763.90000115.6K91 S92 S97 A98K91-S95 PolarHBondContact O-OG 3.41Å; S92-S95 WeakPolarHBondContact CA-OG 3.46Å; S92-S95 PolarHBondContact O-OG 3.34Å; S95-S97 PolarHBondContact O-N 2.9Å; S95-A98 WeakPolarHBondContact O-CB 3.33Å; S95-A98 PolarHBondContact O-N 2.86Å
96N28.5Very low36.7Very low158 Ų158113.5 Ų113.585%0.84567%0.666SS**G310 helixtrans-86.36.7175.7-76.91.4000113.7
97S30.8Very low37Very low69 Ų69118.5 Ų118.548%0.48368%0.677SS.*G310 helixtrans-120.523.2163.164.10000112.5S95 G99S95-S97 PolarHBondContact O-N 2.9Å; S97-G99 PolarHBondContact O-N 3.39Å
98A26.9Very low38.3Very low88 Ų88115.1 Ų115.173%0.72766%0.662SS**  trans-75.736.9174.500000113.2S95S95-A98 WeakPolarHBondContact O-CB 3.33Å; S95-A98 PolarHBondContact O-N 2.86Å
99G26.8Very low40.3Very low75 Ų75105.1 Ų105.177%0.77363%0.627SS**SBendtrans-111.126.4175.800000113.1S97S97-G99 PolarHBondContact O-N 3.39Å
100S27.4Very low42.6Very low91 Ų91102.1 Ų102.164%0.63661%0.605SS**SBendtrans-166118.5155.965.60000109.1S102S100-S102 PolarHBondContact O-N 2.89Å
101S26.2Very low45.2Very low133 Ų13399 Ų9993%0.9358%0.584SS**  trans-6689.6173.3540000111.2
102S30.3Very low47.8Very low69 Ų6991.7 Ų91.748%0.48355%0.552SS.*  trans-150.4111.3157.354.40000109.2S100 G104S100-S102 PolarHBondContact O-N 2.89Å; S102-G104 PolarHBondContact O-N 2.89Å
103N32.5Very low50.6Low182 Ų18288.4 Ų88.497%0.97353%0.529SS*.  trans-73.858.9176.5-78.6-12000111.1
104G45.2Very low53.3Low35 Ų3582.8 Ų82.836%0.36150%0.495SS..PPolyproline II helixtrans-80.8126.417400000111.2S102 I106S102-G104 PolarHBondContact O-N 2.89Å; G104-I106 PolarHBondContact O-N 3.49Å
105E56.5Low56.2Low155 Ų15575.2 Ų75.272%0.72446%0.459SS*.PPolyproline II helixtrans-60.2129.3166.8-81.4-179155.200109.6R107E105-R107 PolarHBondContact O-N 3.39Å
106I66.1Low58.9Low109 Ų10974.6 Ų74.656%0.55945%0.449SS*.PPolyproline II helixtrans-65.9122.4172.6-62.5169.6000108.1G104 L232 K234G104-I106 PolarHBondContact O-N 3.49Å; I106-L232 HydrophobicContact CG2-CB 4Å; I106-L232 HydrophobicContact CG2-CD2 4.23Å; I106-K234 HydrophobicContact CG1-CG 4.07Å
107R70.9Confident61.5Low170 Ų17068 Ų6864%0.64242%0.416SS*.EExtended strand (participates in β ladder)trans-109.9144.2178.3-67.6-177.4176.4-174.7-1.4111E105 L232 T233E105-R107 PolarHBondContact O-N 3.39Å; R107-L232 CarbonylContact O-C 3.56Å; R107-L232 WeakPolarHBondContact O-CA 3.19Å; R107-T233 HydrophobicContact CB-CG2 4.29Å; R107-T233 PolarHBondContact N-O 3.25Å; R107-T233 PolarHBondContact O-N 3.39Å
108T76.2Confident63.8Low84 Ų8471.3 Ų71.352%0.51542%0.423SS..EExtended strand (participates in β ladder)trans-96.7123.8172.9-51.50000109.2W231 L232T108-W231 CarbonylContact C-O 3.58Å; T108-W231 WeakPolarHBondContact CA-O 3.18Å; T108-L232 HydrophobicContact CG2-CD2 4.34Å; T108-L232 WeakPolarHBondContact OG1-CD2 3.43Å
109V78.9Confident66.1Low19 Ų1976.3 Ų76.312%0.11542%0.424CS..EExtended strand (participates in β ladder)trans-105.7138.3169.2-66.30000109.1F156 S230 W231 T233 F241V109-F156 HydrophobicContact CG2-CD1 4.04Å; V109-F156 HydrophobicContact CG2-CE1 3.91Å; V109-S230 CarbonylContact O-C 3.56Å; V109-S230 WeakPolarHBondContact O-CA 3.16Å; V109-W231 HydrophobicContact CG2-CB 3.89Å; V109-W231 PolarHBondContact N-O 2.88Å; V109-W231 PolarHBondContact O-N 2.89Å; V109-T233 HydrophobicContact CG1-CG2 4.14Å; V109-F241 HydrophobicContact CB-CD2 4.49Å; V109-F241 HydrophobicContact CB-CE1 4.07Å; V109-F241 HydrophobicContact CB-CE2 4.08Å; V109-F241 HydrophobicContact CB-CZ 3.85Å; V109-F241 HydrophobicContact CG2-CD2 3.85Å; V109-F241 HydrophobicContact CG2-CE1 4.4Å; V109-F241 HydrophobicContact CG2-CE2 3.52Å; V109-F241 HydrophobicContact CG2-CG 4.44Å; V109-F241 HydrophobicContact CG2-CZ 3.83Å
110S83.7Confident68.2Low39 Ų3978.2 Ų78.227%0.27342%0.42SS..EExtended strand (participates in β ladder)trans-125.9142.7-175.8-600000111.3Y229 S267S110-Y229 CarbonylContact C-O 3.55Å; S110-Y229 VanDerWaalsContact CA-O 3.23Å; S110-Y229 WeakPolarHBondContact CA-O 3.28Å; S110-S267 WeakPolarHBondContact O-CB 3.3Å; S110-S267 PolarHBondContact O-OG 3.35Å
111L87.3Confident70.4Confident0 Ų078.8 Ų78.80%041%0.412CS..EExtended strand (participates in β ladder)trans-123.8125.1172178.263.9000108.7I113 Y229 W231 I245 I248 T265 Y266L111-I113 HydrophobicContact CD2-CG1 4.4Å; L111-I113 HydrophobicContact CG-CG1 4.31Å; L111-Y229 PolarHBondContact N-O 3.2Å; L111-Y229 PolarHBondContact O-N 2.89Å; L111-W231 HydrophobicContact CB-CH2 4.24Å; L111-W231 HydrophobicContact CB-CZ3 3.76Å; L111-W231 HydrophobicContact CD2-CH2 4.38Å; L111-I245 HydrophobicContact CD1-CG1 4.13Å; L111-I245 HydrophobicContact CD1-CG2 4.25Å; L111-I245 HydrophobicContact CD2-CG1 4.28Å; L111-I248 HydrophobicContact CD2-CB 4.44Å; L111-I248 HydrophobicContact CD2-CD1 3.67Å; L111-I248 HydrophobicContact CD2-CG2 4.04Å; L111-T265 HydrophobicContact CD1-CG2 4.25Å; L111-Y266 CarbonylContact C-O 3.54Å; L111-Y266 WeakPolarHBondContact CA-O 3.42Å
112F87.4Confident73Confident40 Ų4073.1 Ų73.118%0.17538%0.375CS..EExtended strand (participates in β ladder)trans-106.1132.4171.3-64.3-91.3000109.3H166 L227 T265 Y266F112-H166 AromaticContact CE1-NE2 3.53Å; F112-L227 CarbonylContact C-O 3.2Å; F112-L227 VanDerWaalsContact CA-O 3.25Å; F112-L227 WeakPolarHBondContact CA-O 3.43Å; F112-T265 CarbonylContact O-C 3.51Å; F112-T265 VanDerWaalsContact O-CA 3.28Å; F112-T265 WeakPolarHBondContact O-CA 3.3Å; F112-Y266 HydrophobicContact CB-CD1 4.28Å; F112-Y266 AromaticContact CD2-CD1 3.7Å; F112-Y266 HydrophobicContact CD2-CD1 3.7Å; F112-Y266 HydrophobicContact CD2-CE1 4.19Å; F112-Y266 HydrophobicContact CE2-CD1 4.47Å; F112-Y266 HydrophobicContact CG-CD1 4.32Å; F112-Y266 PolarHBondContact N-O 3.04Å; F112-Y266 PolarHBondContact O-N 3.29Å
113I89.7Confident75.7Confident0 Ų073.8 Ų73.80%037%0.373CS..EExtended strand (participates in β ladder)trans-113.4108.5176.2-53.6-179.9000107.1L111 L115 I136 V140 S226 L227 Y229 I248 V252 F263 T265L111-I113 HydrophobicContact CD2-CG1 4.4Å; L111-I113 HydrophobicContact CG-CG1 4.31Å; I113-L115 HydrophobicContact CG2-CD2 4.21Å; I113-I136 HydrophobicContact CD1-CG2 4.18Å; I113-V140 HydrophobicContact CD1-CG2 4.4Å; I113-S226 WeakPolarHBondContact O-CA 3.39Å; I113-L227 HydrophobicContact CB-CB 4.4Å; I113-L227 PolarHBondContact N-O 2.77Å; I113-L227 PolarHBondContact O-N 2.92Å; I113-Y229 HydrophobicContact CD1-CD2 4.15Å; I113-Y229 HydrophobicContact CD1-CE2 3.82Å; I113-Y229 HydrophobicContact CG1-CD2 4.43Å; I113-Y229 HydrophobicContact CG1-CE2 4.34Å; I113-I248 HydrophobicContact CD1-CG2 3.78Å; I113-V252 HydrophobicContact CD1-CG2 4.28Å; I113-F263 HydrophobicContact CG2-CD2 4.29Å; I113-T265 HydrophobicContact CG1-CG2 4.46Å
114L88.5Confident78.4Confident6 Ų665.3 Ų65.33%0.03133%0.328CS..EExtended strand (participates in β ladder)trans-100.1111.8-179.5-174.861.7000110F263 A264 F590 V593L114-F263 CarbonylContact O-C 3.58Å; L114-F263 WeakPolarHBondContact O-CA 3.45Å; L114-A264 PolarHBondContact N-O 2.67Å; L114-A264 PolarHBondContact O-N 3.44Å; L114-F590 HydrophobicContact CB-CD2 4.2Å; L114-F590 HydrophobicContact CB-CE2 4.07Å; L114-F590 HydrophobicContact CD2-CD2 3.99Å; L114-F590 HydrophobicContact CD2-CE2 3.86Å; L114-V593 HydrophobicContact CD2-CB 4Å; L114-V593 HydrophobicContact CD2-CG1 3.42Å; L114-V593 VanDerWaalsContact CD2-CG1 3.42Å; L114-V593 HydrophobicContact CG-CG1 4.27Å
115L90.5Very high80.7Confident0 Ų064.3 Ų64.30%031%0.313CS..EExtended strand (participates in β ladder)trans-89.2134.6173.9-53.6178.6000109.5I113 L129 V133 I136 S224 F225 L256 I261 F263I113-L115 HydrophobicContact CG2-CD2 4.21Å; L115-L129 HydrophobicContact CD1-CD1 3.91Å; L115-V133 HydrophobicContact CD1-CG2 3.82Å; L115-I136 HydrophobicContact CD1-CD1 4.15Å; L115-I136 HydrophobicContact CD2-CD1 4.07Å; L115-S224 CarbonylContact O-C 3.52Å; L115-S224 WeakPolarHBondContact O-CA 3.3Å; L115-S224 WeakPolarHBondContact O-CB 3.24Å; L115-F225 HydrophobicContact CB-CB 4.36Å; L115-F225 WeakPolarHBondContact CB-O 3.21Å; L115-F225 PolarHBondContact N-O 3.41Å; L115-F225 PolarHBondContact O-N 3.28Å; L115-L256 HydrophobicContact CD2-CD1 4.34Å; L115-I261 HydrophobicContact CB-CG2 4.09Å; L115-I261 HydrophobicContact CD2-CG2 4.49Å; L115-F263 HydrophobicContact CD2-CB 3.66Å
116K87Confident82.4Confident44 Ų4459.9 Ų59.919%0.19130%0.295CS..EExtended strand (participates in β ladder)trans-142.9158.7178.673179.6-175.4174.70112.6I261 T262 V593K116-I261 WeakPolarHBondContact O-CA 3.43Å; K116-T262 VanDerWaalsContact CG-OG1 3.23Å; K116-T262 WeakPolarHBondContact CG-OG1 3.39Å; K116-T262 PolarHBondContact N-O 2.67Å; K116-T262 PolarHBondContact O-N 2.93Å; K116-T262 VanDerWaalsContact O-O 3.12Å; K116-T262 PolarHBondContact O-OG1 2.99Å; K116-V593 HydrophobicContact CD-CB 4.46Å; K116-V593 HydrophobicContact CD-CG1 4.16Å; K116-V593 HydrophobicContact CD-CG2 3.38Å
117S82.9Confident83.6Confident20 Ų2057.5 Ų57.514%0.1429%0.288CS..EExtended strand (participates in β ladder)trans-64.9141.9170.9163.90000111.1R119 G122 I124S117-R119 WeakPolarHBondContact CB-O 3.2Å; S117-R119 PolarHBondContact O-N 2.98Å; S117-R119 WeakPolarHBondContact OG-CA 3.32Å; S117-R119 PolarHBondContact OG-N 3.3Å; S117-R119 PolarHBondContact OG-O 2.91Å; S117-G122 VanDerWaalsContact CB-O 3.26Å; S117-G122 WeakPolarHBondContact CB-O 3.39Å; S117-G122 WeakPolarHBondContact OG-CA 3.33Å; S117-I124 VanDerWaalsContact CA-CG2 3.48Å; S117-I124 VanDerWaalsContact CB-CG2 3.49Å; S117-I124 VanDerWaalsContact N-CG2 3.28Å
118H78.8Confident84.6Confident139 Ų13952.9 Ų52.964%0.64427%0.273SS*.SBendtrans-63.8-26.8168.3-172.8-68.5000112.3N260 T262H118-N260 WeakPolarHBondContact CB-O 3.47Å; H118-N260 PolarHBondContact N-O 3.24Å; H118-T262 HydrophobicContact CB-CG2 4.19Å
119R76.4Confident85.4Confident193 Ų19348.9 Ų48.973%0.72825%0.249SC*.SBendtrans-90.9134.8174.1-62.1-177.5-177.8-178.40.1110.2S117 H121 G122S117-R119 WeakPolarHBondContact CB-O 3.2Å; S117-R119 PolarHBondContact O-N 2.98Å; S117-R119 WeakPolarHBondContact OG-CA 3.32Å; S117-R119 PolarHBondContact OG-N 3.3Å; S117-R119 PolarHBondContact OG-O 2.91Å; R119-H121 PolarHBondContact O-N 3.42Å; R119-G122 PolarHBondContact O-N 3.17Å
120V71.1Confident86Confident114 Ų11448.4 Ų48.469%0.69125%0.247SC*.THydrogen-bonded Turntrans-55130.9171.7-1740000109.3G122V120-G122 PolarHBondContact O-N 3.42Å
121H71.7Confident86.5Confident103 Ų10353.6 Ų53.648%0.47726%0.26SS..THydrogen-bonded Turntrans55.724.4-173.8-55.3-52.2000116.5R119 E223 E596 Y597R119-H121 PolarHBondContact O-N 3.42Å; H121-E223 VanDerWaalsContact CA-CD 3.46Å; H121-E223 WeakPolarHBondContact CA-OE2 3.26Å; H121-E223 IonicContact CG-OE2 3.96Å; H121-E223 IonicContact ND1-OE1 2.87Å; H121-E223 IonicContact ND1-OE2 2.69Å; H121-E223 PolarHBondContact ND1-OE2 2.96Å; H121-E596 IonicContact CE1-OE1 2.76Å; H121-E596 PolarHBondContact CE1-OE1 3.09Å; H121-E596 IonicContact ND1-OE1 3.66Å; H121-E596 IonicContact NE2-OE1 3.59Å; H121-Y597 AromaticContact ND1-CE1 3.98Å
122G81.3Confident86.8Confident15 Ų1554 Ų5416%0.15526%0.262CS..  trans-79.1136179.100000112.9S117 R119 V120 I124S117-G122 VanDerWaalsContact CB-O 3.26Å; S117-G122 WeakPolarHBondContact CB-O 3.39Å; S117-G122 WeakPolarHBondContact OG-CA 3.33Å; R119-G122 PolarHBondContact O-N 3.17Å; V120-G122 PolarHBondContact O-N 3.42Å; G122-I124 PolarHBondContact O-N 3.02Å
123N88.4Confident87Confident82 Ų8252 Ų5244%0.43925%0.254SS..  trans-71.9123173.6179.527000110.8F125 A221 F222N123-F125 VanDerWaalsContact OD1-CB 3.27Å; N123-F125 WeakPolarHBondContact OD1-CB 3.46Å; N123-F125 PolarHBondContact OD1-N 2.77Å; N123-A221 HydrophobicContact CB-CB 3.91Å; N123-A221 WeakPolarHBondContact OD1-CA 3.4Å; N123-A221 VanDerWaalsContact OD1-CB 3.29Å; N123-A221 WeakPolarHBondContact OD1-CB 3.25Å; N123-F222 PolarHBondContact OD1-N 3.48Å; N123-F222 PolarHBondContact OD1-O 3.18Å
124I89.1Confident87.1Confident5 Ų553.2 Ų53.23%0.02626%0.259CS..  trans-100.3-8.6172.259.8168.9000113.1S117 G122 N126 L129 F222 F225 I261S117-I124 VanDerWaalsContact CA-CG2 3.48Å; S117-I124 VanDerWaalsContact CB-CG2 3.49Å; S117-I124 VanDerWaalsContact N-CG2 3.28Å; G122-I124 PolarHBondContact O-N 3.02Å; I124-N126 PolarHBondContact O-N 3.22Å; I124-N126 PolarHBondContact O-ND2 2.73Å; I124-L129 HydrophobicContact CB-CD2 4.2Å; I124-L129 HydrophobicContact CD1-CD1 4.3Å; I124-L129 HydrophobicContact CD1-CD2 3.91Å; I124-L129 HydrophobicContact CG1-CD2 3.89Å; I124-L129 VanDerWaalsContact O-CB 3.31Å; I124-L129 WeakPolarHBondContact O-CB 3.31Å; I124-L129 VanDerWaalsContact O-CD2 3.3Å; I124-L129 WeakPolarHBondContact O-CD2 3.4Å; I124-F222 HydrophobicContact CD1-CD2 4.14Å; I124-F222 HydrophobicContact CD1-CE2 3.97Å; I124-F222 HydrophobicContact CG1-CD2 3.74Å; I124-F222 HydrophobicContact CG1-CE2 3.7Å; I124-F222 WeakPolarHBondContact CG1-O 3.29Å; I124-F222 PolarHBondContact N-O 3.19Å; I124-F225 HydrophobicContact CD1-CB 4.09Å; I124-I261 HydrophobicContact CG2-CG1 4.28Å
125F92.8Very high87.3Confident13 Ų1357.3 Ų57.36%0.05728%0.278CS..  trans-72100.6-174.3-172.7-149.8000112.2N123 L173 Y177 F178 I219 F222N123-F125 VanDerWaalsContact OD1-CB 3.27Å; N123-F125 WeakPolarHBondContact OD1-CB 3.46Å; N123-F125 PolarHBondContact OD1-N 2.77Å; F125-L173 HydrophobicContact CZ-CD1 4.47Å; F125-L173 HydrophobicContact CZ-CD2 4.49Å; F125-L173 HydrophobicContact CZ-CG 4.44Å; F125-Y177 HydrophobicContact CD1-CE1 4.42Å; F125-Y177 AromaticContact CE1-CD1 3.79Å; F125-Y177 HydrophobicContact CE1-CD1 3.79Å; F125-Y177 AromaticContact CE1-CD2 3.89Å; F125-Y177 HydrophobicContact CE1-CD2 3.89Å; F125-Y177 AromaticContact CE1-CE1 3.5Å; F125-Y177 HydrophobicContact CE1-CE1 3.5Å; F125-Y177 VanDerWaalsContact CE1-CE1 3.5Å; F125-Y177 AromaticContact CE1-CE2 3.58Å; F125-Y177 HydrophobicContact CE1-CE2 3.58Å; F125-Y177 AromaticContact CE1-CG 3.98Å; F125-Y177 HydrophobicContact CE1-CG 3.98Å; F125-Y177 AromaticContact CE1-CZ 3.38Å; F125-Y177 HydrophobicContact CE2-CD1 4.19Å; F125-Y177 HydrophobicContact CE2-CG 4.29Å; F125-Y177 AromaticContact CZ-CD1 3.39Å; F125-Y177 HydrophobicContact CZ-CD1 3.39Å; F125-Y177 AromaticContact CZ-CD2 3.57Å; F125-Y177 HydrophobicContact CZ-CD2 3.57Å; F125-Y177 AromaticContact CZ-CE1 3.65Å; F125-Y177 HydrophobicContact CZ-CE1 3.65Å; F125-Y177 AromaticContact CZ-CE2 3.79Å; F125-Y177 HydrophobicContact CZ-CE2 3.79Å; F125-Y177 AromaticContact CZ-CG 3.36Å; F125-Y177 HydrophobicContact CZ-CG 3.36Å; F125-Y177 AromaticContact CZ-CZ 3.83Å; F125-F178 HydrophobicContact CD2-CE2 4.21Å; F125-F178 HydrophobicContact CD2-CZ 4.06Å; F125-F178 AromaticContact CE2-CE2 3.73Å; F125-F178 HydrophobicContact CE2-CE2 3.73Å; F125-F178 AromaticContact CE2-CZ 3.85Å; F125-F178 HydrophobicContact CE2-CZ 3.85Å; F125-F178 HydrophobicContact CZ-CE2 4.37Å; F125-F178 HydrophobicContact CZ-CZ 4.31Å; F125-I219 HydrophobicContact CD1-CG2 4.06Å; F125-I219 HydrophobicContact CE1-CG2 3.81Å; F125-F222 HydrophobicContact CB-CD1 3.7Å; F125-F222 HydrophobicContact CB-CD2 4.31Å; F125-F222 HydrophobicContact CB-CE1 3.49Å; F125-F222 VanDerWaalsContact CB-CE1 3.49Å; F125-F222 HydrophobicContact CB-CE2 4.1Å; F125-F222 HydrophobicContact CB-CG 4.12Å; F125-F222 HydrophobicContact CB-CZ 3.69Å; F125-F222 HydrophobicContact CD1-CD1 4.07Å; F125-F222 AromaticContact CD1-CE1 3.85Å; F125-F222 HydrophobicContact CD1-CE1 3.85Å; F125-F222 HydrophobicContact CD2-CD1 4.09Å; F125-F222 AromaticContact CD2-CE1 3.11Å; F125-F222 HydrophobicContact CD2-CE1 3.11Å; F125-F222 HydrophobicContact CD2-CE2 4.47Å; F125-F222 AromaticContact CD2-CZ 3.35Å; F125-F222 HydrophobicContact CD2-CZ 3.35Å; F125-F222 HydrophobicContact CE1-CE1 4.28Å; F125-F222 AromaticContact CE2-CE1 3.64Å; F125-F222 HydrophobicContact CE2-CE1 3.64Å; F125-F222 HydrophobicContact CE2-CZ 4.1Å; F125-F222 AromaticContact CG-CD1 3.71Å; F125-F222 HydrophobicContact CG-CD1 3.71Å; F125-F222 AromaticContact CG-CE1 3.2Å; F125-F222 HydrophobicContact CG-CE1 3.2Å; F125-F222 AromaticContact CG-CZ 3.71Å; F125-F222 HydrophobicContact CG-CZ 3.71Å; F125-F222 HydrophobicContact CZ-CE1 4.17Å
126N92.3Very high87.4Confident62 Ų6257.3 Ų57.333%0.33228%0.278SS..SBendtrans-155.9170.6176.459.551.4000110.9I124 H128 L129 C130 F178I124-N126 PolarHBondContact O-N 3.22Å; I124-N126 PolarHBondContact O-ND2 2.73Å; N126-H128 PolarHBondContact O-N 3.38Å; N126-H128 WeakPolarHBondContact OD1-CA 3.41Å; N126-H128 VanDerWaalsContact OD1-CB 3.28Å; N126-H128 WeakPolarHBondContact OD1-CB 3.24Å; N126-H128 PolarHBondContact OD1-N 3.24Å; N126-L129 PolarHBondContact O-N 2.95Å; N126-L129 PolarHBondContact OD1-N 3.25Å; N126-C130 PolarHBondContact O-N 3.2Å; N126-F178 VanDerWaalsContact CA-CZ 3.44Å
127S91Very high87.5Confident60 Ų6055.2 Ų55.242%0.4227%0.269SS..Hα-helixtrans-66.7-18.3-179.964.50000113.5R131 F178S127-R131 WeakPolarHBondContact O-CG 3.4Å; S127-R131 PolarHBondContact O-N 3.18Å; S127-R131 PolarHBondContact O-NE 2.84Å; S127-F178 VanDerWaalsContact N-CZ 3.35Å
128H91.3Very high87.7Confident72 Ų7261.4 Ų61.433%0.33329%0.289SS..Hα-helixtrans-75.4-46.4175.3-17947.3000111.3N126 C130 R131 L132N126-H128 PolarHBondContact O-N 3.38Å; N126-H128 WeakPolarHBondContact OD1-CA 3.41Å; N126-H128 VanDerWaalsContact OD1-CB 3.28Å; N126-H128 WeakPolarHBondContact OD1-CB 3.24Å; N126-H128 PolarHBondContact OD1-N 3.24Å; H128-C130 VanDerWaalsContact C-N 3.29Å; H128-C130 PolarHBondContact O-N 3.15Å; H128-R131 WeakPolarHBondContact O-CB 3.46Å; H128-R131 PolarHBondContact O-N 3.48Å; H128-R131 VanDerWaalsContact O-N 3.12Å; H128-L132 WeakPolarHBondContact O-CG 3.31Å; H128-L132 PolarHBondContact O-N 3.04Å
129L92.8Very high88.1Confident0 Ų055.9 Ų55.90%026%0.264CS..Hα-helixtrans-53.6-47.7172.3173.670.6000110.9L115 I124 N126 R131 L132 V133 F222 F225 I261L115-L129 HydrophobicContact CD1-CD1 3.91Å; I124-L129 HydrophobicContact CB-CD2 4.2Å; I124-L129 HydrophobicContact CD1-CD1 4.3Å; I124-L129 HydrophobicContact CD1-CD2 3.91Å; I124-L129 HydrophobicContact CG1-CD2 3.89Å; I124-L129 VanDerWaalsContact O-CB 3.31Å; I124-L129 WeakPolarHBondContact O-CB 3.31Å; I124-L129 VanDerWaalsContact O-CD2 3.3Å; I124-L129 WeakPolarHBondContact O-CD2 3.4Å; N126-L129 PolarHBondContact O-N 2.95Å; N126-L129 PolarHBondContact OD1-N 3.25Å; L129-R131 VanDerWaalsContact C-N 3.25Å; L129-R131 PolarHBondContact O-N 2.95Å; L129-L132 WeakPolarHBondContact O-CB 3.34Å; L129-L132 PolarHBondContact O-N 2.83Å; L129-V133 HydrophobicContact CD1-CG2 4.12Å; L129-V133 HydrophobicContact CG-CG2 4.21Å; L129-V133 WeakPolarHBondContact O-CG2 3.48Å; L129-V133 PolarHBondContact O-N 3.23Å; L129-F222 HydrophobicContact CD2-CE2 3.46Å; L129-F222 VanDerWaalsContact CD2-CE2 3.46Å; L129-F222 HydrophobicContact CD2-CZ 3.68Å; L129-F225 HydrophobicContact CD2-CB 4.47Å; L129-I261 HydrophobicContact CB-CD1 4.25Å; L129-I261 HydrophobicContact CD1-CD1 3.78Å
130C92.9Very high88.5Confident10 Ų1046.8 Ų46.87%0.06823%0.23CC..Hα-helixtrans-64.3-29.6-178.1-69.60000113.5N126 H128 E134 C174N126-C130 PolarHBondContact O-N 3.2Å; H128-C130 VanDerWaalsContact C-N 3.29Å; H128-C130 PolarHBondContact O-N 3.15Å; C130-E134 PolarHBondContact O-N 2.85Å; C130-C174 WeakPolarHBondContact CA-SG 3.43Å; C130-C174 HydrophobicContact CB-CB 3.47Å; C130-C174 VanDerWaalsContact CB-CB 3.47Å; C130-C174 WeakPolarHBondContact CB-SG 3.2Å; C130-C174 WeakPolarHBondContact SG-CA 3.49Å; C130-C174 WeakPolarHBondContact SG-CB 3.43Å; C130-C174 CovalentContact SG-SG 2.05Å; C130-C174 PolarHBondContact SG-SG 3.36Å
131R92.6Very high88.9Confident147 Ų14743.8 Ų43.856%0.55521%0.209SC*.Hα-helixtrans-68.2-45.6170.3-77.2179.7-77.1133.2-10.4111.5S127 H128 L129 V133 E134 E135S127-R131 WeakPolarHBondContact O-CG 3.4Å; S127-R131 PolarHBondContact O-N 3.18Å; S127-R131 PolarHBondContact O-NE 2.84Å; H128-R131 WeakPolarHBondContact O-CB 3.46Å; H128-R131 PolarHBondContact O-N 3.48Å; H128-R131 VanDerWaalsContact O-N 3.12Å; L129-R131 VanDerWaalsContact C-N 3.25Å; L129-R131 PolarHBondContact O-N 2.95Å; R131-V133 PolarHBondContact O-N 3.4Å; R131-E134 PolarHBondContact O-N 3.39Å; R131-E135 PolarHBondContact O-N 3.35Å
132L93.5Very high89.1Confident8 Ų845.2 Ų45.24%0.04222%0.215CC..Hα-helixtrans-61.1-42.9177.5-64.2168.9000111.5H128 L129 E134 E135 I136 I255 L256 I261H128-L132 WeakPolarHBondContact O-CG 3.31Å; H128-L132 PolarHBondContact O-N 3.04Å; L129-L132 WeakPolarHBondContact O-CB 3.34Å; L129-L132 PolarHBondContact O-N 2.83Å; L132-E134 PolarHBondContact O-N 3.25Å; L132-E135 WeakPolarHBondContact O-CB 3.29Å; L132-E135 PolarHBondContact O-N 2.68Å; L132-E135 VanDerWaalsContact O-N 3.15Å; L132-I136 VanDerWaalsContact O-CG1 3.3Å; L132-I136 WeakPolarHBondContact O-CG1 3.12Å; L132-I136 PolarHBondContact O-N 3.34Å; L132-I255 HydrophobicContact CD2-CG2 3.75Å; L132-I255 WeakPolarHBondContact CD2-O 3.14Å; L132-L256 HydrophobicContact CD1-CD2 4.07Å; L132-I261 HydrophobicContact CD1-CD1 3.72Å
133V92.7Very high88.7Confident0 Ų046.3 Ų46.30%022%0.218CC..Hα-helixtrans-59-44.8176.4166.70000111.7L115 L129 R131 E135 N137 R171 F225 L227L115-V133 HydrophobicContact CD1-CG2 3.82Å; L129-V133 HydrophobicContact CD1-CG2 4.12Å; L129-V133 HydrophobicContact CG-CG2 4.21Å; L129-V133 WeakPolarHBondContact O-CG2 3.48Å; L129-V133 PolarHBondContact O-N 3.23Å; R131-V133 PolarHBondContact O-N 3.4Å; V133-E135 VanDerWaalsContact C-N 3.31Å; V133-E135 PolarHBondContact O-N 2.83Å; V133-N137 VanDerWaalsContact O-CB 3.31Å; V133-N137 WeakPolarHBondContact O-CB 3.48Å; V133-N137 PolarHBondContact O-N 3.06Å; V133-R171 HydrophobicContact CG1-CG 4.16Å; V133-F225 HydrophobicContact CB-CE1 4.47Å; V133-F225 HydrophobicContact CG1-CE1 3.74Å; V133-F225 HydrophobicContact CG1-CZ 3.9Å; V133-F225 HydrophobicContact CG2-CD1 3.9Å; V133-F225 HydrophobicContact CG2-CE1 3.81Å; V133-F225 HydrophobicContact CG2-CG 4.39Å; V133-F225 HydrophobicContact CG2-CZ 4.21Å; V133-L227 HydrophobicContact CG1-CD1 4.31Å; V133-L227 HydrophobicContact CG1-CD2 4.18Å
134E92.1Very high87.3Confident25 Ų2546.6 Ų46.612%0.11722%0.222CC..Hα-helixtrans-71.4-25.7177.2-72.1-65.213500113.1C130 R131 L132 R138 R171 K175C130-E134 PolarHBondContact O-N 2.85Å; R131-E134 PolarHBondContact O-N 3.39Å; L132-E134 PolarHBondContact O-N 3.25Å; E134-R138 WeakPolarHBondContact O-CB 3.3Å; E134-R138 WeakPolarHBondContact O-CG 3.31Å; E134-R138 PolarHBondContact O-N 2.82Å; E134-R138 VanDerWaalsContact O-N 3.14Å; E134-R138 PolarHBondContact O-NE 3Å; E134-R171 WeakPolarHBondContact OE1-CB 3.37Å; E134-R171 IonicContact OE1-CZ 3.22Å; E134-R171 IonicContact OE1-NE 3.71Å; E134-R171 PolarHBondContact OE1-NE 2.63Å; E134-R171 IonicContact OE1-NH2 3.78Å; E134-R171 PolarHBondContact OE1-NH2 3.25Å; E134-R171 IonicContact OE2-CZ 3.71Å; E134-R171 IonicContact OE2-NE 3.64Å; E134-R171 IonicContact OE2-NH2 2.84Å; E134-R171 PolarHBondContact OE2-NH2 3.05Å; E134-K175 VanDerWaalsContact OE1-CE 3.3Å; E134-K175 WeakPolarHBondContact OE1-CE 3.45Å; E134-K175 IonicContact OE1-NZ 2.84Å; E134-K175 VanDerWaalsContact OE2-CE 3.23Å; E134-K175 WeakPolarHBondContact OE2-CE 3.21Å; E134-K175 IonicContact OE2-NZ 3.48Å; E134-K175 PolarHBondContact OE2-NZ 3.4Å; E134-K175 VanDerWaalsContact OE2-NZ 3.09Å
135E92Very high85.9Confident92 Ų9250.3 Ų50.343%0.4324%0.242SC..Hα-helixtrans-73.2-47.6173.6-166.1170179.600111.1R131 L132 V133 N137 R138 L139 I255R131-E135 PolarHBondContact O-N 3.35Å; L132-E135 WeakPolarHBondContact O-CB 3.29Å; L132-E135 PolarHBondContact O-N 2.68Å; L132-E135 VanDerWaalsContact O-N 3.15Å; V133-E135 VanDerWaalsContact C-N 3.31Å; V133-E135 PolarHBondContact O-N 2.83Å; E135-N137 VanDerWaalsContact C-N 3.31Å; E135-N137 PolarHBondContact O-N 2.91Å; E135-R138 PolarHBondContact O-N 3.03Å; E135-L139 WeakPolarHBondContact O-CB 3.41Å; E135-L139 PolarHBondContact O-N 3.07Å; E135-I255 HydrophobicContact CB-CG2 4.2Å; E135-I255 HydrophobicContact CG-CD1 4.01Å; E135-I255 HydrophobicContact CG-CG1 4.14Å; E135-I255 HydrophobicContact CG-CG2 4.09Å
136I92.3Very high84.4Confident0 Ų049.8 Ų49.80%024%0.24CC..Hα-helixtrans-58.4-44.2173.1-66.8167.7000110.5I113 L115 L132 L139 V140 L227 V252 I255I113-I136 HydrophobicContact CD1-CG2 4.18Å; L115-I136 HydrophobicContact CD1-CD1 4.15Å; L115-I136 HydrophobicContact CD2-CD1 4.07Å; L132-I136 VanDerWaalsContact O-CG1 3.3Å; L132-I136 WeakPolarHBondContact O-CG1 3.12Å; L132-I136 PolarHBondContact O-N 3.34Å; I136-L139 WeakPolarHBondContact O-CB 3.26Å; I136-L139 PolarHBondContact O-N 2.77Å; I136-V140 WeakPolarHBondContact O-CG2 3.43Å; I136-V140 PolarHBondContact O-N 3.09Å; I136-L227 HydrophobicContact CB-CD1 4.36Å; I136-L227 HydrophobicContact CG2-CD1 3.87Å; I136-V252 HydrophobicContact CD1-CG1 4.11Å; I136-V252 HydrophobicContact CG1-CG1 4.47Å; I136-V252 HydrophobicContact CG1-CG2 4.3Å; I136-V252 HydrophobicContact CG2-CG2 4.06Å; I136-I255 HydrophobicContact CG1-CD1 4.15Å; I136-I255 HydrophobicContact CG1-CG2 4.15Å
137N89.5Confident83Confident0 Ų049 Ų490%024%0.237CC..Hα-helixtrans-66.4-41.9-179.4-168.294.5000112.6V133 E135 L139 V140 E141 R171 Y229V133-N137 VanDerWaalsContact O-CB 3.31Å; V133-N137 WeakPolarHBondContact O-CB 3.48Å; V133-N137 PolarHBondContact O-N 3.06Å; E135-N137 VanDerWaalsContact C-N 3.31Å; E135-N137 PolarHBondContact O-N 2.91Å; N137-L139 VanDerWaalsContact C-N 3.26Å; N137-L139 PolarHBondContact O-N 3.39Å; N137-V140 PolarHBondContact O-N 3.04Å; N137-E141 PolarHBondContact ND2-OE1 3Å; N137-E141 PolarHBondContact ND2-OE2 3.41Å; N137-E141 WeakPolarHBondContact O-CB 3.27Å; N137-E141 PolarHBondContact O-N 3.35Å; N137-E141 PolarHBondContact OD1-OE1 2.96Å; N137-R171 PolarHBondContact ND2-NH1 2.94Å; N137-R171 PolarHBondContact ND2-NH2 3.26Å; N137-Y229 WeakPolarHBondContact CA-OH 3.44Å; N137-Y229 PolarHBondContact OD1-OH 3.33Å
138R87.7Confident81.4Confident149 Ų14952.5 Ų52.556%0.56225%0.247SC*.Hα-helixtrans-62.7-38175.2-83.5-178.7-77.7174.9-2.4111.5E134 E135 H142E134-R138 WeakPolarHBondContact O-CB 3.3Å; E134-R138 WeakPolarHBondContact O-CG 3.31Å; E134-R138 PolarHBondContact O-N 2.82Å; E134-R138 VanDerWaalsContact O-N 3.14Å; E134-R138 PolarHBondContact O-NE 3Å; E135-R138 PolarHBondContact O-N 3.03Å; R138-H142 WeakPolarHBondContact O-CB 3.37Å; R138-H142 PolarHBondContact O-N 2.97Å
139L86.4Confident79.7Confident23 Ų2353.7 Ų53.712%0.1225%0.253CS..Hα-helixtrans-59.6-55.7174178.7140.4000111.2E135 I136 N137 E141 D143 I146 K251 I255E135-L139 WeakPolarHBondContact O-CB 3.41Å; E135-L139 PolarHBondContact O-N 3.07Å; I136-L139 WeakPolarHBondContact O-CB 3.26Å; I136-L139 PolarHBondContact O-N 2.77Å; N137-L139 VanDerWaalsContact C-N 3.26Å; N137-L139 PolarHBondContact O-N 3.39Å; L139-E141 VanDerWaalsContact C-N 3.34Å; L139-E141 PolarHBondContact O-N 3.01Å; L139-D143 HydrophobicContact CG-CB 4.3Å; L139-D143 WeakPolarHBondContact O-CB 3.44Å; L139-D143 PolarHBondContact O-N 3.45Å; L139-I146 HydrophobicContact CD2-CD1 3.51Å; L139-I146 HydrophobicContact CG-CD1 4.2Å; L139-K251 HydrophobicContact CD1-CB 3.41Å; L139-K251 VanDerWaalsContact CD1-CB 3.41Å; L139-K251 HydrophobicContact CD1-CD 3.7Å; L139-K251 HydrophobicContact CD1-CG 4.15Å; L139-K251 HydrophobicContact CD2-CB 4.29Å; L139-K251 HydrophobicContact CG-CB 4.44Å; L139-K251 HydrophobicContact CG-CD 4.33Å; L139-I255 HydrophobicContact CB-CD1 4.32Å; L139-I255 HydrophobicContact CD1-CD1 3.66Å
140V84.2Confident77.8Confident2 Ų253.8 Ų53.81%0.01225%0.254CS..Hα-helixtrans-67.2-33.7-175.2-178.10000112.8I113 I136 N137 F158 Y229 W231 I248I113-V140 HydrophobicContact CD1-CG2 4.4Å; I136-V140 WeakPolarHBondContact O-CG2 3.43Å; I136-V140 PolarHBondContact O-N 3.09Å; N137-V140 PolarHBondContact O-N 3.04Å; V140-F158 HydrophobicContact CG1-CE2 4.29Å; V140-Y229 HydrophobicContact CB-CD1 4.12Å; V140-Y229 HydrophobicContact CB-CD2 4.5Å; V140-Y229 HydrophobicContact CB-CE1 3.86Å; V140-Y229 HydrophobicContact CB-CE2 4.27Å; V140-Y229 HydrophobicContact CB-CG 4.43Å; V140-Y229 HydrophobicContact CG1-CD1 3.52Å; V140-Y229 HydrophobicContact CG1-CD2 3.99Å; V140-Y229 HydrophobicContact CG1-CE1 3.82Å; V140-Y229 HydrophobicContact CG1-CE2 4.25Å; V140-Y229 HydrophobicContact CG1-CG 3.62Å; V140-Y229 HydrophobicContact CG2-CD2 4.39Å; V140-Y229 HydrophobicContact CG2-CE1 4.48Å; V140-Y229 HydrophobicContact CG2-CE2 4.02Å; V140-W231 HydrophobicContact CG1-CH2 4.08Å; V140-W231 HydrophobicContact CG1-CZ2 3.9Å; V140-I248 HydrophobicContact CG2-CG2 4.26Å
141E79.7Confident75.9Confident51 Ų5157.1 Ų57.124%0.23827%0.271CS..Hα-helixtrans-81.4-30.8-178.5-75.2176.1-174.100114.5N137 L139 F158 R171N137-E141 PolarHBondContact ND2-OE1 3Å; N137-E141 PolarHBondContact ND2-OE2 3.41Å; N137-E141 WeakPolarHBondContact O-CB 3.27Å; N137-E141 PolarHBondContact O-N 3.35Å; N137-E141 PolarHBondContact OD1-OE1 2.96Å; L139-E141 VanDerWaalsContact C-N 3.34Å; L139-E141 PolarHBondContact O-N 3.01Å; E141-F158 HydrophobicContact CG-CE1 3.87Å; E141-F158 HydrophobicContact CG-CZ 3.72Å; E141-R171 IonicContact OE1-NH1 3.86Å
142H76.7Confident74Confident134 Ų13452.7 Ų52.762%0.6227%0.27SS*.Hα-helixtrans-127.9-10-167.4-61.9-56.4000115.3R138 V144R138-H142 WeakPolarHBondContact O-CB 3.37Å; R138-H142 PolarHBondContact O-N 2.97Å; H142-V144 PolarHBondContact O-N 3.37Å
143D73Confident72.3Confident37 Ų3758.8 Ų58.820%0.19830%0.303CS..  trans-64.2132.2-176.1-177.8-89.6000111.5L139 D145 I146 T147 K251L139-D143 HydrophobicContact CG-CB 4.3Å; L139-D143 WeakPolarHBondContact O-CB 3.44Å; L139-D143 PolarHBondContact O-N 3.45Å; D143-D145 VanDerWaalsContact C-N 3.33Å; D143-D145 PolarHBondContact O-N 3.02Å; D143-D145 WeakPolarHBondContact OD1-CA 3.33Å; D143-D145 WeakPolarHBondContact OD1-CB 3.45Å; D143-D145 PolarHBondContact OD1-N 3.22Å; D143-I146 HydrophobicContact CB-CB 4.33Å; D143-I146 HydrophobicContact CB-CD1 4.04Å; D143-I146 HydrophobicContact CB-CG1 4.26Å; D143-I146 PolarHBondContact O-N 2.9Å; D143-I146 PolarHBondContact OD1-N 2.98Å; D143-I146 VanDerWaalsContact OD1-N 3.09Å; D143-T147 WeakPolarHBondContact O-CB 3.29Å; D143-T147 WeakPolarHBondContact O-CG2 3.33Å; D143-T147 PolarHBondContact O-N 2.92Å; D143-T147 PolarHBondContact O-OG1 2.92Å; D143-K251 IonicContact OD1-NZ 2.64Å; D143-K251 PolarHBondContact OD1-NZ 3.49Å; D143-K251 IonicContact OD2-NZ 3.15Å; D143-K251 PolarHBondContact OD2-NZ 2.9Å
144V57.9Low70.8Confident89 Ų8961.7 Ų61.754%0.53933%0.333SS..Hα-helixtrans-67.3-34.5-175.3-178.70000111.2H142 T147 Q148H142-V144 PolarHBondContact O-N 3.37Å; V144-T147 VanDerWaalsContact CA-OG1 3.25Å; V144-T147 WeakPolarHBondContact CA-OG1 3.46Å; V144-T147 PolarHBondContact O-N 3.46Å; V144-T147 PolarHBondContact O-OG1 3.45Å; V144-Q148 HydrophobicContact CG1-CG 4.35Å; V144-Q148 VanDerWaalsContact O-CB 3.25Å; V144-Q148 WeakPolarHBondContact O-CB 3.42Å; V144-Q148 PolarHBondContact O-N 3.37Å
145D60.3Low69.7Low82 Ų8263 Ų6344%0.43934%0.339SS..Hα-helixtrans-71.5-41.8-179.6-55.9-34.9000110.3D143 T147 E149 K251D143-D145 VanDerWaalsContact C-N 3.33Å; D143-D145 PolarHBondContact O-N 3.02Å; D143-D145 WeakPolarHBondContact OD1-CA 3.33Å; D143-D145 WeakPolarHBondContact OD1-CB 3.45Å; D143-D145 PolarHBondContact OD1-N 3.22Å; D145-T147 VanDerWaalsContact C-N 3.33Å; D145-T147 PolarHBondContact O-N 3.33Å; D145-E149 VanDerWaalsContact O-CB 3.24Å; D145-E149 WeakPolarHBondContact O-CB 3.33Å; D145-E149 WeakPolarHBondContact O-CG 3.44Å; D145-E149 PolarHBondContact O-N 2.93Å; D145-K251 IonicContact OD2-NZ 3.38Å; D145-K251 PolarHBondContact OD2-NZ 3.35Å
146I62.5Low68.9Low2 Ų258.8 Ų58.81%0.0132%0.319CS..Hα-helixtrans-64.5-42.9174.7-63.5172.2000109.7L139 D143 A150 I244 V247 I248L139-I146 HydrophobicContact CD2-CD1 3.51Å; L139-I146 HydrophobicContact CG-CD1 4.2Å; D143-I146 HydrophobicContact CB-CB 4.33Å; D143-I146 HydrophobicContact CB-CD1 4.04Å; D143-I146 HydrophobicContact CB-CG1 4.26Å; D143-I146 PolarHBondContact O-N 2.9Å; D143-I146 PolarHBondContact OD1-N 2.98Å; D143-I146 VanDerWaalsContact OD1-N 3.09Å; I146-A150 WeakPolarHBondContact O-CB 3.41Å; I146-A150 PolarHBondContact O-N 3.47Å; I146-I244 HydrophobicContact CG2-CG2 4.32Å; I146-V247 HydrophobicContact CG1-CG1 4.31Å; I146-I248 HydrophobicContact CD1-CD1 4.33Å; I146-I248 HydrophobicContact CD1-CG1 3.54Å; I146-I248 HydrophobicContact CG1-CG1 4.1Å
147T61.2Low68Low45 Ų4562.7 Ų62.728%0.27634%0.343SS..Hα-helixtrans-73.4-37.5-179.852.10000112.6D143 V144 D145 L151D143-T147 WeakPolarHBondContact O-CB 3.29Å; D143-T147 WeakPolarHBondContact O-CG2 3.33Å; D143-T147 PolarHBondContact O-N 2.92Å; D143-T147 PolarHBondContact O-OG1 2.92Å; V144-T147 VanDerWaalsContact CA-OG1 3.25Å; V144-T147 WeakPolarHBondContact CA-OG1 3.46Å; V144-T147 PolarHBondContact O-N 3.46Å; V144-T147 PolarHBondContact O-OG1 3.45Å; D145-T147 VanDerWaalsContact C-N 3.33Å; D145-T147 PolarHBondContact O-N 3.33Å; T147-L151 HydrophobicContact CG2-CD1 3.91Å; T147-L151 VanDerWaalsContact O-CA 3.26Å; T147-L151 WeakPolarHBondContact O-CA 3.44Å; T147-L151 WeakPolarHBondContact O-CB 3.48Å; T147-L151 VanDerWaalsContact O-CD1 3.31Å; T147-L151 WeakPolarHBondContact O-CD1 3.18Å; T147-L151 WeakPolarHBondContact O-CG 3.34Å; T147-L151 PolarHBondContact O-N 3.41Å
148Q57.1Low67.4Low135 Ų13564.5 Ų64.563%0.63135%0.351SS*.Hα-helixtrans-75.3-38.7175.2-95.7-173.6-38.100113.1V144 G152V144-Q148 HydrophobicContact CG1-CG 4.35Å; V144-Q148 VanDerWaalsContact O-CB 3.25Å; V144-Q148 WeakPolarHBondContact O-CB 3.42Å; V144-Q148 PolarHBondContact O-N 3.37Å; Q148-G152 WeakPolarHBondContact O-CA 3.36Å; Q148-G152 PolarHBondContact O-N 3.26Å
149E55.9Low66.8Low96 Ų9659.4 Ų59.445%0.44934%0.335SS..Hα-helixtrans-72.2-35.8175.4-72.1-172.2160.700111.5D145 I244 V247D145-E149 VanDerWaalsContact O-CB 3.24Å; D145-E149 WeakPolarHBondContact O-CB 3.33Å; D145-E149 WeakPolarHBondContact O-CG 3.44Å; D145-E149 PolarHBondContact O-N 2.93Å; E149-I244 HydrophobicContact CB-CG1 4.45Å; E149-V247 WeakPolarHBondContact OE2-CG2 3.4Å
150A53.5Low66.1Low3 Ų362.9 Ų62.93%0.02536%0.357CS..Hα-helixtrans-78.6-41.4176.300000113.8I146 F156 I244I146-A150 WeakPolarHBondContact O-CB 3.41Å; I146-A150 PolarHBondContact O-N 3.47Å; A150-F156 HydrophobicContact CB-CB 4.23Å; A150-F156 WeakPolarHBondContact O-CB 3.25Å; A150-F156 PolarHBondContact O-N 3.45Å; A150-I244 HydrophobicContact CB-CD1 3.48Å; A150-I244 VanDerWaalsContact CB-CD1 3.48Å; A150-I244 HydrophobicContact CB-CG1 4.18Å
151L53.7Low65.2Low80 Ų8066.5 Ų66.542%0.41939%0.387SS..Hα-helixtrans-101.9-11.9-175.1-60138.4000113.7T147 N153 G154 F156T147-L151 HydrophobicContact CG2-CD1 3.91Å; T147-L151 VanDerWaalsContact O-CA 3.26Å; T147-L151 WeakPolarHBondContact O-CA 3.44Å; T147-L151 WeakPolarHBondContact O-CB 3.48Å; T147-L151 VanDerWaalsContact O-CD1 3.31Å; T147-L151 WeakPolarHBondContact O-CD1 3.18Å; T147-L151 WeakPolarHBondContact O-CG 3.34Å; T147-L151 PolarHBondContact O-N 3.41Å; L151-N153 PolarHBondContact O-N 3.18Å; L151-G154 PolarHBondContact O-N 3.46Å; L151-F156 WeakPolarHBondContact CD2-O 3.37Å
152G52.2Low64.6Low53 Ų5365.4 Ų65.455%0.54639%0.39SS..THydrogen-bonded Turntrans-60.1-22.1-171.800000114.5Q148Q148-G152 WeakPolarHBondContact O-CA 3.36Å; Q148-G152 PolarHBondContact O-N 3.26Å
153N57Low64.4Low137 Ų13759.1 Ų59.173%0.73336%0.361SS*.THydrogen-bonded Turntrans-112.89.9172.6-68.5-15.9000113.6L151 Q155L151-N153 PolarHBondContact O-N 3.18Å; N153-Q155 HydrophobicContact CB-CG 4.04Å; N153-Q155 PolarHBondContact O-N 2.91Å
154G61.3Low64.2Low61 Ų6159.5 Ų59.563%0.62937%0.369SS*.SBendtrans64.415.3-17500000114.5L151L151-G154 PolarHBondContact O-N 3.46Å
155Q69.6Low64.7Low53 Ų5358.2 Ų58.225%0.24837%0.368CS..  trans-74-41.6-175.8-74.3-176.1-23.900112.3N153 T233 A237 T240N153-Q155 HydrophobicContact CB-CG 4.04Å; N153-Q155 PolarHBondContact O-N 2.91Å; Q155-T233 WeakPolarHBondContact O-CA 3.45Å; Q155-T233 PolarHBondContact O-OG1 2.98Å; Q155-A237 HydrophobicContact CB-CB 4.46Å; Q155-A237 VanDerWaalsContact OE1-CB 3.24Å; Q155-T240 PolarHBondContact OE1-OG1 3.47Å
156F74.4Confident65.4Low3 Ų356.3 Ų56.31%0.01336%0.356CS..EExtended strand (participates in β ladder)trans-115.8136.9-179.2-61.8-88000111.6V109 A150 L151 W231 L232 T233 A237 T240 F241 I244V109-F156 HydrophobicContact CG2-CD1 4.04Å; V109-F156 HydrophobicContact CG2-CE1 3.91Å; A150-F156 HydrophobicContact CB-CB 4.23Å; A150-F156 WeakPolarHBondContact O-CB 3.25Å; A150-F156 PolarHBondContact O-N 3.45Å; L151-F156 WeakPolarHBondContact CD2-O 3.37Å; F156-W231 HydrophobicContact CB-CB 4.26Å; F156-W231 HydrophobicContact CD1-CB 4.12Å; F156-L232 CarbonylContact C-O 3.59Å; F156-L232 WeakPolarHBondContact CA-O 3.42Å; F156-T233 HydrophobicContact CD1-CG2 4.31Å; F156-T233 HydrophobicContact CE1-CG2 3.89Å; F156-A237 HydrophobicContact CE2-CB 3.73Å; F156-A237 HydrophobicContact CZ-CB 3.75Å; F156-A237 WeakPolarHBondContact CZ-O 3.38Å; F156-T240 HydrophobicContact CD2-CG2 4.46Å; F156-T240 HydrophobicContact CE2-CG2 3.92Å; F156-F241 HydrophobicContact CE1-CB 4.25Å; F156-F241 HydrophobicContact CE1-CD2 4.06Å; F156-F241 HydrophobicContact CE1-CG 4.43Å; F156-F241 HydrophobicContact CZ-CB 3.86Å; F156-F241 HydrophobicContact CZ-CD2 4.4Å; F156-I244 HydrophobicContact CD2-CD1 4.19Å; F156-I244 HydrophobicContact CE2-CD1 4.37Å
157T73.9Confident66.5Low81 Ų8156.2 Ų56.250%0.49736%0.356SS..EExtended strand (participates in β ladder)trans-115123.6171.4-550000109.3N159 W231 L232T157-N159 PolarHBondContact O-N 2.9Å; T157-W231 CarbonylContact O-C 3.49Å; T157-W231 VanDerWaalsContact O-CA 3.32Å; T157-W231 WeakPolarHBondContact O-CA 3.22Å; T157-L232 PolarHBondContact N-O 3.22Å; T157-L232 PolarHBondContact O-N 3.46Å
158F76.9Confident67.7Low39 Ų3960.2 Ų60.217%0.17137%0.367CS..EExtended strand (participates in β ladder)trans-65.2123179.5-169.9-108.7000111.2V140 E141 T160 N163 Y229 W231V140-F158 HydrophobicContact CG1-CE2 4.29Å; E141-F158 HydrophobicContact CG-CE1 3.87Å; E141-F158 HydrophobicContact CG-CZ 3.72Å; F158-T160 PolarHBondContact O-N 3.31Å; F158-N163 HydrophobicContact CE1-CB 4.26Å; F158-N163 VanDerWaalsContact CE1-ND2 3.34Å; F158-N163 WeakPolarHBondContact CE1-ND2 3.27Å; F158-N163 WeakPolarHBondContact CE2-ND2 3.43Å; F158-N163 HydrophobicContact CZ-CB 4.12Å; F158-N163 WeakPolarHBondContact CZ-ND2 3.44Å; F158-Y229 HydrophobicContact CE2-CD1 4.33Å; F158-Y229 HydrophobicContact CZ-CD1 4.17Å; F158-W231 AromaticContact CD2-CD1 3.87Å; F158-W231 HydrophobicContact CD2-CD2 4.37Å; F158-W231 AromaticContact CD2-CE2 3.75Å; F158-W231 HydrophobicContact CD2-CG 4.41Å; F158-W231 HydrophobicContact CD2-CZ2 4.21Å; F158-W231 AromaticContact CD2-NE1 3.46Å; F158-W231 HydrophobicContact CE2-CZ2 4.08Å
159N75.5Confident69.1Low42 Ų4254.8 Ų54.823%0.22534%0.343CS..  trans-81.271.9-179.9-178.811.1000110.8T157 A161 G162 N163 S230 L232T157-N159 PolarHBondContact O-N 2.9Å; N159-A161 PolarHBondContact O-N 2.71Å; N159-G162 PolarHBondContact O-N 3.4Å; N159-G162 PolarHBondContact OD1-N 2.9Å; N159-G162 VanDerWaalsContact OD1-N 3.13Å; N159-N163 WeakPolarHBondContact O-CB 3.49Å; N159-N163 PolarHBondContact O-N 3.18Å; N159-N163 PolarHBondContact O-ND2 2.86Å; N159-N163 PolarHBondContact O-OD1 2.99Å; N159-S230 WeakPolarHBondContact CB-O 3.34Å; N159-S230 WeakPolarHBondContact CB-OG 3.39Å; N159-S230 PolarHBondContact N-O 2.92Å; N159-S230 PolarHBondContact ND2-OG 3.41Å; N159-S230 VanDerWaalsContact ND2-OG 3.13Å; N159-L232 HydrophobicContact CB-CG 4.39Å
160T72.4Confident70.7Confident95 Ų9550.2 Ų50.258%0.58332%0.322SS*.Hα-helixtrans-52.7-42.3-174.6-490000112.6F158 A164F158-T160 PolarHBondContact O-N 3.31Å; T160-A164 VanDerWaalsContact O-CB 3.29Å; T160-A164 WeakPolarHBondContact O-CB 3.35Å; T160-A164 PolarHBondContact O-N 3.48Å
161A64.6Low72.5Confident78 Ų7851.8 Ų51.865%0.64533%0.327SS*.Hα-helixtrans-67.4-46.9-178.900000112.4N159 N163 A165N159-A161 PolarHBondContact O-N 2.71Å; A161-N163 VanDerWaalsContact C-N 3.34Å; A161-A165 PolarHBondContact O-N 3.47Å; A161-A165 VanDerWaalsContact O-N 3.16Å
162G66.2Low74.3Confident28 Ų2848.9 Ų48.929%0.28931%0.312SS..Hα-helixtrans-63.6-40.4176.700000112.5N159 A165 H166N159-G162 PolarHBondContact O-N 3.4Å; N159-G162 PolarHBondContact OD1-N 2.9Å; N159-G162 VanDerWaalsContact OD1-N 3.13Å; G162-A165 PolarHBondContact O-N 3.26Å; G162-H166 PolarHBondContact O-N 3.36Å
163N73.9Confident76.2Confident2 Ų246.3 Ų46.31%0.01129%0.286CS..Hα-helixtrans-69.5-40.1-178-60.6-12.3000111.5F158 N159 A161 A165 H166 N167 S230F158-N163 HydrophobicContact CE1-CB 4.26Å; F158-N163 VanDerWaalsContact CE1-ND2 3.34Å; F158-N163 WeakPolarHBondContact CE1-ND2 3.27Å; F158-N163 WeakPolarHBondContact CE2-ND2 3.43Å; F158-N163 HydrophobicContact CZ-CB 4.12Å; F158-N163 WeakPolarHBondContact CZ-ND2 3.44Å; N159-N163 WeakPolarHBondContact O-CB 3.49Å; N159-N163 PolarHBondContact O-N 3.18Å; N159-N163 PolarHBondContact O-ND2 2.86Å; N159-N163 PolarHBondContact O-OD1 2.99Å; A161-N163 VanDerWaalsContact C-N 3.34Å; N163-A165 VanDerWaalsContact C-N 3.33Å; N163-A165 PolarHBondContact O-N 3.3Å; N163-H166 PolarHBondContact O-N 3.34Å; N163-N167 PolarHBondContact O-N 2.92Å; N163-S230 VanDerWaalsContact CG-N 3.34Å; N163-S230 PolarHBondContact ND2-N 2.67Å; N163-S230 PolarHBondContact ND2-O 2.87Å; N163-S230 WeakPolarHBondContact OD1-CA 3.3Å; N163-S230 WeakPolarHBondContact OD1-CB 3.5Å; N163-S230 PolarHBondContact OD1-N 3.29Å; N163-S230 PolarHBondContact OD1-O 2.69Å; N163-S230 PolarHBondContact OD1-OG 3.07Å
164A68.2Low77.9Confident46 Ų4640.1 Ų40.138%0.3825%0.253SS..Hα-helixtrans-60.4-43.7173.100000111.2T160 H166 Y168T160-A164 VanDerWaalsContact O-CB 3.29Å; T160-A164 WeakPolarHBondContact O-CB 3.35Å; T160-A164 PolarHBondContact O-N 3.48Å; A164-H166 VanDerWaalsContact C-N 3.28Å; A164-H166 PolarHBondContact O-N 2.76Å; A164-Y168 WeakPolarHBondContact O-CB 3.39Å; A164-Y168 PolarHBondContact O-N 2.82Å
165A69.2Low79.2Confident62 Ų6243 Ų4351%0.51225%0.248SC..Hα-helixtrans-60.2-37.7179.200000112.7A161 G162 N163A161-A165 PolarHBondContact O-N 3.47Å; A161-A165 VanDerWaalsContact O-N 3.16Å; G162-A165 PolarHBondContact O-N 3.26Å; N163-A165 VanDerWaalsContact C-N 3.33Å; N163-A165 PolarHBondContact O-N 3.3Å
166H74.2Confident80.3Confident42 Ų4241.6 Ų41.619%0.19424%0.242CC..Hα-helixtrans-75.7-49179.5-167.8-77.8000112.9F112 G162 N163 A164 G228F112-H166 AromaticContact CE1-NE2 3.53Å; G162-H166 PolarHBondContact O-N 3.36Å; N163-H166 PolarHBondContact O-N 3.34Å; A164-H166 VanDerWaalsContact C-N 3.28Å; A164-H166 PolarHBondContact O-N 2.76Å; H166-G228 PolarHBondContact ND1-N 3.24Å
167N85.8Confident81.1Confident0 Ų042 Ų420%024%0.244CC..Hα-helixtrans-91.5-25.6-167.8-63.8-22.2000114N163 A170 R171 L227 G228 Y229N163-N167 PolarHBondContact O-N 2.92Å; N167-A170 PolarHBondContact O-N 3.26Å; N167-R171 WeakPolarHBondContact O-CB 3.42Å; N167-R171 VanDerWaalsContact O-CG 3.28Å; N167-R171 WeakPolarHBondContact O-CG 3.49Å; N167-R171 PolarHBondContact O-N 3.46Å; N167-L227 HydrophobicContact CB-CD2 4.14Å; N167-L227 WeakPolarHBondContact OD1-CA 3.24Å; N167-G228 PolarHBondContact ND2-O 3.13Å; N167-G228 PolarHBondContact OD1-N 3.06Å; N167-G228 PolarHBondContact OD1-O 3.41Å; N167-Y229 VanDerWaalsContact ND2-CE1 3.3Å; N167-Y229 WeakPolarHBondContact ND2-CE1 3.4Å
168Y85.9Confident81.8Confident128 Ų12842.1 Ų42.150%0.50224%0.237SC..Hα-helixtrans-60.7-45-171.6-176.7-94000114.1A164 A170 R171 M172A164-Y168 WeakPolarHBondContact O-CB 3.39Å; A164-Y168 PolarHBondContact O-N 2.82Å; Y168-A170 PolarHBondContact O-N 2.85Å; Y168-R171 PolarHBondContact O-N 3.3Å; Y168-M172 HydrophobicContact CE1-CB 4.46Å; Y168-M172 HydrophobicContact CE1-CE 4.33Å; Y168-M172 HydrophobicContact CE1-SD 3.86Å; Y168-M172 VanDerWaalsContact O-CB 3.28Å; Y168-M172 WeakPolarHBondContact O-CB 3.49Å; Y168-M172 PolarHBondContact O-N 3Å
169P87.6Confident82.5Confident22 Ų2243.1 Ų43.114%0.14325%0.245CC..Hα-helixtrans-55.5-48.9178.2-2938.3000113.1M172 L173 M195 A202 F203 L204P169-M172 PolarHBondContact O-N 2.81Å; P169-L173 PolarHBondContact O-N 2.98Å; P169-M195 WeakPolarHBondContact O-CE 3.39Å; P169-A202 HydrophobicContact CB-CB 4.04Å; P169-F203 WeakPolarHBondContact CB-O 3.28Å; P169-L204 HydrophobicContact CB-CD2 4.1Å
170A89.1Confident83.1Confident0 Ų046.9 Ų46.90%026%0.261CS..Hα-helixtrans-71.3-36.2-176.500000112.4N167 Y168 L173 C174 A207 F225N167-A170 PolarHBondContact O-N 3.26Å; Y168-A170 PolarHBondContact O-N 2.85Å; A170-L173 WeakPolarHBondContact O-CB 3.48Å; A170-L173 PolarHBondContact O-N 2.72Å; A170-C174 PolarHBondContact O-N 2.87Å; A170-C174 VanDerWaalsContact O-N 3.13Å; A170-A207 HydrophobicContact CB-CB 3.33Å; A170-F225 HydrophobicContact CB-CE1 4.24Å; A170-F225 HydrophobicContact CB-CE2 3.76Å; A170-F225 HydrophobicContact CB-CZ 3.4Å; A170-F225 VanDerWaalsContact CB-CZ 3.4Å
171R91.9Very high83.9Confident35 Ų3550.3 Ų50.313%0.13227%0.267CS..Hα-helixtrans-65.8-39.1172.2-71.8176.262.1-161.24.3112.3V133 E134 N137 E141 N167 Y168 L173 C174 K175V133-R171 HydrophobicContact CG1-CG 4.16Å; E134-R171 WeakPolarHBondContact OE1-CB 3.37Å; E134-R171 IonicContact OE1-CZ 3.22Å; E134-R171 IonicContact OE1-NE 3.71Å; E134-R171 PolarHBondContact OE1-NE 2.63Å; E134-R171 IonicContact OE1-NH2 3.78Å; E134-R171 PolarHBondContact OE1-NH2 3.25Å; E134-R171 IonicContact OE2-CZ 3.71Å; E134-R171 IonicContact OE2-NE 3.64Å; E134-R171 IonicContact OE2-NH2 2.84Å; E134-R171 PolarHBondContact OE2-NH2 3.05Å; N137-R171 PolarHBondContact ND2-NH1 2.94Å; N137-R171 PolarHBondContact ND2-NH2 3.26Å; E141-R171 IonicContact OE1-NH1 3.86Å; N167-R171 WeakPolarHBondContact O-CB 3.42Å; N167-R171 VanDerWaalsContact O-CG 3.28Å; N167-R171 WeakPolarHBondContact O-CG 3.49Å; N167-R171 PolarHBondContact O-N 3.46Å; Y168-R171 PolarHBondContact O-N 3.3Å; R171-L173 VanDerWaalsContact C-N 3.34Å; R171-L173 PolarHBondContact O-N 3.1Å; R171-C174 WeakPolarHBondContact O-CB 3.28Å; R171-C174 PolarHBondContact O-N 3.05Å; R171-C174 VanDerWaalsContact O-N 3.13Å; R171-K175 PolarHBondContact O-N 3.05Å
172M90.8Very high85.1Confident19 Ų1949.3 Ų49.39%0.09425%0.249CC..Hα-helixtrans-63-40175.3179.816674.400111.3Y168 P169 C174 K175 L176 M195 V197 L200 A202Y168-M172 HydrophobicContact CE1-CB 4.46Å; Y168-M172 HydrophobicContact CE1-CE 4.33Å; Y168-M172 HydrophobicContact CE1-SD 3.86Å; Y168-M172 VanDerWaalsContact O-CB 3.28Å; Y168-M172 WeakPolarHBondContact O-CB 3.49Å; Y168-M172 PolarHBondContact O-N 3Å; P169-M172 PolarHBondContact O-N 2.81Å; M172-C174 VanDerWaalsContact C-N 3.32Å; M172-C174 PolarHBondContact O-N 2.54Å; M172-K175 PolarHBondContact O-N 2.9Å; M172-L176 HydrophobicContact CG-CD1 3.56Å; M172-L176 HydrophobicContact CG-CG 4.22Å; M172-L176 WeakPolarHBondContact O-CB 3.26Å; M172-L176 VanDerWaalsContact O-CG 3.28Å; M172-L176 WeakPolarHBondContact O-CG 3.44Å; M172-L176 PolarHBondContact O-N 2.92Å; M172-L176 HydrophobicContact SD-CD1 4.32Å; M172-M195 HydrophobicContact CB-CE 3.77Å; M172-M195 HydrophobicContact CE-CE 3.33Å; M172-M195 HydrophobicContact CG-CE 3.78Å; M172-M195 HydrophobicContact SD-CE 4.39Å; M172-V197 HydrophobicContact CE-CG2 4.17Å; M172-L200 HydrophobicContact CE-CD2 4.27Å; M172-A202 HydrophobicContact CE-CB 3.66Å
173L92.7Very high86Confident0 Ų054.6 Ų54.60%026%0.26CS..Hα-helixtrans-55.9-49.4170.2172.668.1000110.7F125 P169 A170 R171 K175 L176 Y177 F190 M195 L204 L208 I219 F222F125-L173 HydrophobicContact CZ-CD1 4.47Å; F125-L173 HydrophobicContact CZ-CD2 4.49Å; F125-L173 HydrophobicContact CZ-CG 4.44Å; P169-L173 PolarHBondContact O-N 2.98Å; A170-L173 WeakPolarHBondContact O-CB 3.48Å; A170-L173 PolarHBondContact O-N 2.72Å; R171-L173 VanDerWaalsContact C-N 3.34Å; R171-L173 PolarHBondContact O-N 3.1Å; L173-K175 VanDerWaalsContact C-N 3.3Å; L173-K175 PolarHBondContact O-N 3.32Å; L173-L176 PolarHBondContact O-N 3.14Å; L173-Y177 HydrophobicContact CD1-CD2 4.05Å; L173-Y177 VanDerWaalsContact O-CB 3.23Å; L173-Y177 WeakPolarHBondContact O-CB 3.37Å; L173-Y177 PolarHBondContact O-N 3.02Å; L173-F190 HydrophobicContact CD1-CB 4.33Å; L173-F190 HydrophobicContact CD1-CD1 3.51Å; L173-F190 HydrophobicContact CD1-CE1 4.18Å; L173-F190 HydrophobicContact CD1-CG 4.22Å; L173-M195 HydrophobicContact CB-CE 4.24Å; L173-M195 HydrophobicContact CB-SD 3.85Å; L173-M195 HydrophobicContact CD1-SD 4.21Å; L173-L204 HydrophobicContact CB-CD2 4.26Å; L173-L204 HydrophobicContact CD2-CD1 4.12Å; L173-L204 HydrophobicContact CD2-CD2 4.49Å; L173-L208 HydrophobicContact CD2-CD1 3.71Å; L173-I219 HydrophobicContact CD1-CD1 4.38Å; L173-I219 HydrophobicContact CD2-CD1 4.08Å; L173-F222 HydrophobicContact CD2-CE1 4.44Å
174C91.7Very high86.6Confident7 Ų761.2 Ų61.25%0.04729%0.291CS..Hα-helixtrans-60.1-36.2-178.5-101.50000114.1C130 A170 R171 M172C130-C174 WeakPolarHBondContact CA-SG 3.43Å; C130-C174 HydrophobicContact CB-CB 3.47Å; C130-C174 VanDerWaalsContact CB-CB 3.47Å; C130-C174 WeakPolarHBondContact CB-SG 3.2Å; C130-C174 WeakPolarHBondContact SG-CA 3.49Å; C130-C174 WeakPolarHBondContact SG-CB 3.43Å; C130-C174 CovalentContact SG-SG 2.05Å; C130-C174 PolarHBondContact SG-SG 3.36Å; A170-C174 PolarHBondContact O-N 2.87Å; A170-C174 VanDerWaalsContact O-N 3.13Å; R171-C174 WeakPolarHBondContact O-CB 3.28Å; R171-C174 PolarHBondContact O-N 3.05Å; R171-C174 VanDerWaalsContact O-N 3.13Å; M172-C174 VanDerWaalsContact C-N 3.32Å; M172-C174 PolarHBondContact O-N 2.54Å
175K89.5Confident87.6Confident122 Ų12261 Ų6153%0.5328%0.283SS..Hα-helixtrans-74.6-39.4177.2-71.6179.7-178.1175.30112.9E134 R171 M172 L173E134-K175 VanDerWaalsContact OE1-CE 3.3Å; E134-K175 WeakPolarHBondContact OE1-CE 3.45Å; E134-K175 IonicContact OE1-NZ 2.84Å; E134-K175 VanDerWaalsContact OE2-CE 3.23Å; E134-K175 WeakPolarHBondContact OE2-CE 3.21Å; E134-K175 IonicContact OE2-NZ 3.48Å; E134-K175 PolarHBondContact OE2-NZ 3.4Å; E134-K175 VanDerWaalsContact OE2-NZ 3.09Å; R171-K175 PolarHBondContact O-N 3.05Å; M172-K175 PolarHBondContact O-N 2.9Å; L173-K175 VanDerWaalsContact C-N 3.3Å; L173-K175 PolarHBondContact O-N 3.32Å
176L92.4Very high88.5Confident23 Ų2363 Ų6312%0.1229%0.291CS..Hα-helixtrans-89.9-32.1-170.7-62.2177000113.7M172 L173 F178 D179 F182 F190 V197M172-L176 HydrophobicContact CG-CD1 3.56Å; M172-L176 HydrophobicContact CG-CG 4.22Å; M172-L176 WeakPolarHBondContact O-CB 3.26Å; M172-L176 VanDerWaalsContact O-CG 3.28Å; M172-L176 WeakPolarHBondContact O-CG 3.44Å; M172-L176 PolarHBondContact O-N 2.92Å; M172-L176 HydrophobicContact SD-CD1 4.32Å; L173-L176 PolarHBondContact O-N 3.14Å; L176-F178 PolarHBondContact O-N 3.4Å; L176-D179 PolarHBondContact O-N 3.49Å; L176-F182 HydrophobicContact CB-CB 4.44Å; L176-F182 HydrophobicContact CD2-CD1 4.15Å; L176-F182 HydrophobicContact CD2-CD2 3.61Å; L176-F182 HydrophobicContact CD2-CE1 4.24Å; L176-F182 HydrophobicContact CD2-CE2 3.72Å; L176-F182 HydrophobicContact CD2-CG 3.84Å; L176-F182 HydrophobicContact CD2-CZ 4.03Å; L176-F190 HydrophobicContact CB-CE1 3.78Å; L176-F190 HydrophobicContact CB-CZ 3.81Å; L176-V197 HydrophobicContact CD1-CB 4.38Å; L176-V197 HydrophobicContact CD1-CG1 3.72Å; L176-V197 HydrophobicContact CD1-CG2 3.69Å
177Y91.3Very high89.2Confident12 Ų1265.3 Ų65.35%0.04731%0.305CS..Hα-helixtrans-64.5-37.8-171.1-172.5-88.1000113.6F125 L173 R183 F190 I219F125-Y177 HydrophobicContact CD1-CE1 4.42Å; F125-Y177 AromaticContact CE1-CD1 3.79Å; F125-Y177 HydrophobicContact CE1-CD1 3.79Å; F125-Y177 AromaticContact CE1-CD2 3.89Å; F125-Y177 HydrophobicContact CE1-CD2 3.89Å; F125-Y177 AromaticContact CE1-CE1 3.5Å; F125-Y177 HydrophobicContact CE1-CE1 3.5Å; F125-Y177 VanDerWaalsContact CE1-CE1 3.5Å; F125-Y177 AromaticContact CE1-CE2 3.58Å; F125-Y177 HydrophobicContact CE1-CE2 3.58Å; F125-Y177 AromaticContact CE1-CG 3.98Å; F125-Y177 HydrophobicContact CE1-CG 3.98Å; F125-Y177 AromaticContact CE1-CZ 3.38Å; F125-Y177 HydrophobicContact CE2-CD1 4.19Å; F125-Y177 HydrophobicContact CE2-CG 4.29Å; F125-Y177 AromaticContact CZ-CD1 3.39Å; F125-Y177 HydrophobicContact CZ-CD1 3.39Å; F125-Y177 AromaticContact CZ-CD2 3.57Å; F125-Y177 HydrophobicContact CZ-CD2 3.57Å; F125-Y177 AromaticContact CZ-CE1 3.65Å; F125-Y177 HydrophobicContact CZ-CE1 3.65Å; F125-Y177 AromaticContact CZ-CE2 3.79Å; F125-Y177 HydrophobicContact CZ-CE2 3.79Å; F125-Y177 AromaticContact CZ-CG 3.36Å; F125-Y177 HydrophobicContact CZ-CG 3.36Å; F125-Y177 AromaticContact CZ-CZ 3.83Å; L173-Y177 HydrophobicContact CD1-CD2 4.05Å; L173-Y177 VanDerWaalsContact O-CB 3.23Å; L173-Y177 WeakPolarHBondContact O-CB 3.37Å; L173-Y177 PolarHBondContact O-N 3.02Å; Y177-R183 PolarHBondContact OH-NH2 3.48Å; Y177-F190 HydrophobicContact CD2-CB 3.93Å; Y177-F190 HydrophobicContact CD2-CD1 4.11Å; Y177-F190 AromaticContact CD2-CD2 3.74Å; Y177-F190 HydrophobicContact CD2-CD2 3.74Å; Y177-F190 HydrophobicContact CD2-CE2 4.25Å; Y177-F190 AromaticContact CD2-CG 3.65Å; Y177-F190 HydrophobicContact CD2-CG 3.65Å; Y177-F190 HydrophobicContact CE2-CB 4.13Å; Y177-F190 HydrophobicContact CE2-CD2 4.26Å; Y177-F190 HydrophobicContact CE2-CG 4.26Å; Y177-I219 WeakPolarHBondContact CE2-O 3.08Å; Y177-I219 PolarHBondContact OH-O 3.36Å
178F89.2Confident89.4Confident82 Ų8265.8 Ų65.836%0.3631%0.308SS..THydrogen-bonded Turntrans-89.7-4.7-177.2-64.7-73000113.8F125 N126 S127 L176F125-F178 HydrophobicContact CD2-CE2 4.21Å; F125-F178 HydrophobicContact CD2-CZ 4.06Å; F125-F178 AromaticContact CE2-CE2 3.73Å; F125-F178 HydrophobicContact CE2-CE2 3.73Å; F125-F178 AromaticContact CE2-CZ 3.85Å; F125-F178 HydrophobicContact CE2-CZ 3.85Å; F125-F178 HydrophobicContact CZ-CE2 4.37Å; F125-F178 HydrophobicContact CZ-CZ 4.31Å; N126-F178 VanDerWaalsContact CA-CZ 3.44Å; S127-F178 VanDerWaalsContact N-CZ 3.35Å; L176-F178 PolarHBondContact O-N 3.4Å
179D90.2Very high89.6Confident60 Ų6067.4 Ų67.432%0.32131%0.313SS..  trans-87.8116.7172.1-176.8-19.2000109.7L176 K181 F182 R183L176-D179 PolarHBondContact O-N 3.49Å; D179-K181 PolarHBondContact O-N 3.1Å; D179-K181 VanDerWaalsContact O-N 3.17Å; D179-K181 WeakPolarHBondContact OD1-CB 3.28Å; D179-K181 PolarHBondContact OD1-N 3.36Å; D179-F182 HydrophobicContact CB-CD2 3.84Å; D179-F182 PolarHBondContact O-N 2.92Å; D179-F182 VanDerWaalsContact O-N 3.12Å; D179-F182 WeakPolarHBondContact OD2-CE2 3.46Å; D179-R183 PolarHBondContact O-N 3.05Å
180H87.7Confident89.8Confident122 Ų12266.8 Ų66.857%0.56531%0.308SS*.Hα-helixtrans-56.3-32.7-177.8-170-86.6000112.9F182 R183 Q184H180-F182 VanDerWaalsContact C-N 3.34Å; H180-F182 PolarHBondContact O-N 3.33Å; H180-R183 PolarHBondContact O-N 3.14Å; H180-Q184 PolarHBondContact CE1-NE2 3.18Å; H180-Q184 PolarHBondContact CE1-OE1 3.42Å; H180-Q184 PolarHBondContact NE2-NE2 3.03Å; H180-Q184 VanDerWaalsContact NE2-NE2 3.12Å; H180-Q184 PolarHBondContact O-N 3.37Å
181K90Very high89.7Confident166 Ų16669.8 Ų69.872%0.72232%0.323SS*.Hα-helixtrans-64.1-39.3179.8-65.6179.1-179.6176.90111.9D179D179-K181 PolarHBondContact O-N 3.1Å; D179-K181 VanDerWaalsContact O-N 3.17Å; D179-K181 WeakPolarHBondContact OD1-CB 3.28Å; D179-K181 PolarHBondContact OD1-N 3.36Å
182F90.1Very high89.4Confident57 Ų5768.9 Ų68.925%0.2532%0.32CS..Hα-helixtrans-83.4-34.9179.2-64.7-70.2000111.7L176 D179 H180 Q184 N185 V188 F198L176-F182 HydrophobicContact CB-CB 4.44Å; L176-F182 HydrophobicContact CD2-CD1 4.15Å; L176-F182 HydrophobicContact CD2-CD2 3.61Å; L176-F182 HydrophobicContact CD2-CE1 4.24Å; L176-F182 HydrophobicContact CD2-CE2 3.72Å; L176-F182 HydrophobicContact CD2-CG 3.84Å; L176-F182 HydrophobicContact CD2-CZ 4.03Å; D179-F182 HydrophobicContact CB-CD2 3.84Å; D179-F182 PolarHBondContact O-N 2.92Å; D179-F182 VanDerWaalsContact O-N 3.12Å; D179-F182 WeakPolarHBondContact OD2-CE2 3.46Å; H180-F182 VanDerWaalsContact C-N 3.34Å; H180-F182 PolarHBondContact O-N 3.33Å; F182-Q184 VanDerWaalsContact C-N 3.27Å; F182-Q184 PolarHBondContact O-N 3.07Å; F182-N185 WeakPolarHBondContact O-CB 3.42Å; F182-N185 PolarHBondContact O-N 3.01Å; F182-N185 VanDerWaalsContact O-N 3.07Å; F182-V188 HydrophobicContact CD1-CG2 4.24Å; F182-F198 AromaticContact CD1-CE2 3.92Å; F182-F198 HydrophobicContact CD1-CE2 3.92Å; F182-F198 HydrophobicContact CD1-CZ 4.06Å; F182-F198 AromaticContact CE1-CE2 3.68Å; F182-F198 HydrophobicContact CE1-CE2 3.68Å; F182-F198 AromaticContact CE1-CZ 3.91Å; F182-F198 HydrophobicContact CE1-CZ 3.91Å
183R84.6Confident89.2Confident140 Ų14068.2 Ų68.253%0.52832%0.317SS..Hα-helixtrans-62.2-31.8179.7-161.8175-171.1-179.25.2114.1Y177 D179 H180Y177-R183 PolarHBondContact OH-NH2 3.48Å; D179-R183 PolarHBondContact O-N 3.05Å; H180-R183 PolarHBondContact O-N 3.14Å
184Q86.3Confident88.8Confident140 Ų14069 Ų6965%0.65432%0.32SS*.THydrogen-bonded Turntrans-92.5-5.2176.2-64.7-170.2-21.800113.6H180 F182H180-Q184 PolarHBondContact CE1-NE2 3.18Å; H180-Q184 PolarHBondContact CE1-OE1 3.42Å; H180-Q184 PolarHBondContact NE2-NE2 3.03Å; H180-Q184 VanDerWaalsContact NE2-NE2 3.12Å; H180-Q184 PolarHBondContact O-N 3.37Å; F182-Q184 VanDerWaalsContact C-N 3.27Å; F182-Q184 PolarHBondContact O-N 3.07Å
185N89.6Confident88.7Confident43 Ų4368.7 Ų68.723%0.2332%0.318CS..  trans-77.9122.8-175.7-165-46.3000110.4F182 N187 V188F182-N185 WeakPolarHBondContact O-CB 3.42Å; F182-N185 PolarHBondContact O-N 3.01Å; F182-N185 VanDerWaalsContact O-N 3.07Å; N185-N187 PolarHBondContact O-N 2.96Å; N185-N187 VanDerWaalsContact O-N 3.11Å; N185-N187 WeakPolarHBondContact OD1-CB 3.39Å; N185-N187 PolarHBondContact OD1-N 3.43Å; N185-N187 PolarHBondContact OD1-ND2 2.77Å; N185-V188 HydrophobicContact CB-CB 4.38Å; N185-V188 HydrophobicContact CB-CG2 4.11Å; N185-V188 PolarHBondContact O-N 3.41Å
186P87.5Confident88.7Confident102 Ų10264.6 Ų64.666%0.66230%0.303SS*.THydrogen-bonded Turntrans-64-19.6-178.926.2-35.3000113.6V188P186-V188 VanDerWaalsContact C-N 3.28Å
187N88.5Confident88.5Confident92 Ų9264.1 Ų64.149%0.49230%0.301SS..THydrogen-bonded Turntrans-84.2-0.2176.8-61.1-49.9000113.4N185 F198N185-N187 PolarHBondContact O-N 2.96Å; N185-N187 VanDerWaalsContact O-N 3.11Å; N185-N187 WeakPolarHBondContact OD1-CB 3.39Å; N185-N187 PolarHBondContact OD1-N 3.43Å; N185-N187 PolarHBondContact OD1-ND2 2.77Å; N187-F198 HydrophobicContact CB-CD1 3.82Å; N187-F198 HydrophobicContact CB-CE1 4.18Å; N187-F198 PolarHBondContact O-N 3.4Å
188V91Very high88.4Confident10 Ų1066.8 Ų66.86%0.06131%0.313CS..EExtended strand (participates in β ladder)trans-120.4121.4177.7-177.30000109.2F182 N185 P186 F190 T196 V197 F198F182-V188 HydrophobicContact CD1-CG2 4.24Å; N185-V188 HydrophobicContact CB-CB 4.38Å; N185-V188 HydrophobicContact CB-CG2 4.11Å; N185-V188 PolarHBondContact O-N 3.41Å; P186-V188 VanDerWaalsContact C-N 3.28Å; V188-F190 HydrophobicContact CG1-CD1 4.49Å; V188-F190 HydrophobicContact CG1-CD2 4.49Å; V188-F190 HydrophobicContact CG1-CE1 3.84Å; V188-F190 HydrophobicContact CG1-CE2 3.84Å; V188-F190 HydrophobicContact CG1-CZ 3.47Å; V188-F190 VanDerWaalsContact CG1-CZ 3.47Å; V188-T196 CarbonylContact C-O 3.5Å; V188-T196 VanDerWaalsContact CA-O 3.29Å; V188-T196 WeakPolarHBondContact CA-O 3.28Å; V188-V197 HydrophobicContact CG1-CG2 4.36Å; V188-V197 HydrophobicContact CG2-CG1 4.48Å; V188-F198 HydrophobicContact CG2-CD2 4.37Å; V188-F198 HydrophobicContact CG2-CE2 3.99Å; V188-F198 HydrophobicContact CG2-CZ 4.13Å
189R89.8Confident88Confident162 Ų16264.3 Ų64.361%0.61131%0.31SS*.EExtended strand (participates in β ladder)trans-130.1111.4-179.2-59.7-174.4-173.2179.81.3109.9M191 M195 T196R189-M191 VanDerWaalsContact C-N 3.26Å; R189-M191 HydrophobicContact CB-CG 4.01Å; R189-M191 PolarHBondContact O-N 3.26Å; R189-M195 WeakPolarHBondContact O-CA 3.25Å; R189-M195 WeakPolarHBondContact O-CB 3.23Å; R189-T196 PolarHBondContact N-O 3.3Å; R189-T196 PolarHBondContact O-N 3.36Å
190F91.4Very high87.8Confident9 Ų962.6 Ų62.64%0.03930%0.301CS..  trans-84.864.3178.1-57.6-67.8000111.4L173 L176 Y177 V188 M195 T218 I219L173-F190 HydrophobicContact CD1-CB 4.33Å; L173-F190 HydrophobicContact CD1-CD1 3.51Å; L173-F190 HydrophobicContact CD1-CE1 4.18Å; L173-F190 HydrophobicContact CD1-CG 4.22Å; L176-F190 HydrophobicContact CB-CE1 3.78Å; L176-F190 HydrophobicContact CB-CZ 3.81Å; Y177-F190 HydrophobicContact CD2-CB 3.93Å; Y177-F190 HydrophobicContact CD2-CD1 4.11Å; Y177-F190 AromaticContact CD2-CD2 3.74Å; Y177-F190 HydrophobicContact CD2-CD2 3.74Å; Y177-F190 HydrophobicContact CD2-CE2 4.25Å; Y177-F190 AromaticContact CD2-CG 3.65Å; Y177-F190 HydrophobicContact CD2-CG 3.65Å; Y177-F190 HydrophobicContact CE2-CB 4.13Å; Y177-F190 HydrophobicContact CE2-CD2 4.26Å; Y177-F190 HydrophobicContact CE2-CG 4.26Å; V188-F190 HydrophobicContact CG1-CD1 4.49Å; V188-F190 HydrophobicContact CG1-CD2 4.49Å; V188-F190 HydrophobicContact CG1-CE1 3.84Å; V188-F190 HydrophobicContact CG1-CE2 3.84Å; V188-F190 HydrophobicContact CG1-CZ 3.47Å; V188-F190 VanDerWaalsContact CG1-CZ 3.47Å; F190-M195 HydrophobicContact CD1-SD 4.33Å; F190-T218 CarbonylContact O-C 3.59Å; F190-T218 VanDerWaalsContact O-CA 3.26Å; F190-T218 WeakPolarHBondContact O-CA 3.18Å; F190-I219 WeakPolarHBondContact O-CG1 3.42Å; F190-I219 PolarHBondContact O-N 3.4Å
191M88.1Confident87.6Confident63 Ų6359.1 Ų59.131%0.3129%0.285SS..BIsolated β-bridgetrans-91167.9178.7-53.3-69.6-70.800110.1R189 Y194 N216 G217 T218R189-M191 VanDerWaalsContact C-N 3.26Å; R189-M191 HydrophobicContact CB-CG 4.01Å; R189-M191 PolarHBondContact O-N 3.26Å; M191-Y194 CarbonylContact C-O 3.47Å; M191-Y194 WeakPolarHBondContact CB-O 3.24Å; M191-Y194 CarbonylContact O-C 3.51Å; M191-Y194 VanDerWaalsContact O-C 3.23Å; M191-N216 WeakPolarHBondContact CE-O 3.45Å; M191-G217 VanDerWaalsContact CE-CA 3.48Å; M191-G217 VanDerWaalsContact SD-O 3.41Å; M191-T218 HydrophobicContact SD-CG2 3.95Å
192F85.8Confident87.4Confident16 Ų1651.4 Ų51.47%0.0725%0.252CS..SBendtrans-129.4137.3172.2178.3-86.2000109.2L204 L208 V211 Q213 I219 Y700F192-L204 HydrophobicContact CD2-CB 4.17Å; F192-L204 HydrophobicContact CE2-CB 4.39Å; F192-L208 HydrophobicContact CD2-CD1 4.47Å; F192-L208 HydrophobicContact CE2-CB 4.2Å; F192-V211 HydrophobicContact CB-CG1 4.05Å; F192-V211 HydrophobicContact CD1-CB 4.23Å; F192-V211 HydrophobicContact CD1-CG1 4.23Å; F192-V211 HydrophobicContact CD1-CG2 4.44Å; F192-V211 HydrophobicContact CD2-CB 4.35Å; F192-V211 HydrophobicContact CD2-CG1 4.2Å; F192-V211 HydrophobicContact CD2-CG2 3.82Å; F192-V211 HydrophobicContact CE1-CB 4.34Å; F192-V211 HydrophobicContact CE1-CG2 4.29Å; F192-V211 HydrophobicContact CE2-CB 4.5Å; F192-V211 HydrophobicContact CE2-CG2 3.7Å; F192-V211 HydrophobicContact CG-CB 4.23Å; F192-V211 HydrophobicContact CG-CG1 3.88Å; F192-V211 HydrophobicContact CG-CG2 4.21Å; F192-V211 HydrophobicContact CZ-CB 4.48Å; F192-V211 HydrophobicContact CZ-CG2 3.94Å; F192-Q213 PolarHBondContact O-NE2 3.19Å; F192-I219 HydrophobicContact CB-CD1 4.09Å; F192-I219 HydrophobicContact CB-CG1 3.84Å; F192-Y700 AromaticContact CE1-CE1 3.99Å; F192-Y700 HydrophobicContact CE1-CE1 3.99Å; F192-Y700 AromaticContact CE1-CE2 3.87Å; F192-Y700 HydrophobicContact CE1-CE2 3.87Å; F192-Y700 AromaticContact CE1-CZ 3.47Å; F192-Y700 VanDerWaalsContact CE1-CZ 3.47Å; F192-Y700 WeakPolarHBondContact CE1-OH 3.41Å; F192-Y700 AromaticContact CZ-CE2 3.91Å; F192-Y700 HydrophobicContact CZ-CE2 3.91Å; F192-Y700 AromaticContact CZ-CZ 3.96Å
193P85.1Confident87.1Confident5 Ų549.8 Ų49.83%0.03225%0.245CC..SBendcis-89.8-0.91737.5-38.4000115.9F203 L204 Y700P193-F203 HydrophobicContact CB-CD2 4.27Å; P193-F203 HydrophobicContact CB-CE2 3.85Å; P193-F203 HydrophobicContact CG-CE2 4.43Å; P193-F203 WeakPolarHBondContact O-CD2 3.4Å; P193-L204 PolarHBondContact O-N 3.15Å; P193-Y700 HydrophobicContact CB-CD1 4.19Å; P193-Y700 HydrophobicContact CB-CD2 3.82Å; P193-Y700 HydrophobicContact CB-CE2 4.25Å; P193-Y700 HydrophobicContact CB-CG 3.8Å; P193-Y700 HydrophobicContact CG-CD1 3.86Å; P193-Y700 HydrophobicContact CG-CD2 4.14Å; P193-Y700 HydrophobicContact CG-CG 3.59Å
194Y86Confident87.2Confident16 Ų1643.1 Ų43.16%0.06322%0.22CC..EExtended strand (participates in β ladder)trans-122.8137.9176.5-44.5-83.2000110.9M191 A202 F203 S639 L641M191-Y194 CarbonylContact C-O 3.47Å; M191-Y194 WeakPolarHBondContact CB-O 3.24Å; M191-Y194 CarbonylContact O-C 3.51Å; M191-Y194 VanDerWaalsContact O-C 3.23Å; Y194-A202 VanDerWaalsContact CA-O 3.3Å; Y194-A202 WeakPolarHBondContact CA-O 3.44Å; Y194-F203 HydrophobicContact CD1-CB 3.75Å; Y194-F203 AromaticContact CD1-CD2 3.41Å; Y194-F203 HydrophobicContact CD1-CD2 3.41Å; Y194-F203 VanDerWaalsContact CD1-CD2 3.41Å; Y194-F203 HydrophobicContact CD1-CE2 4.36Å; Y194-F203 HydrophobicContact CD1-CG 4.03Å; Y194-F203 HydrophobicContact CE1-CB 3.8Å; Y194-F203 AromaticContact CE1-CD2 2.97Å; Y194-F203 HydrophobicContact CE1-CD2 2.97Å; Y194-F203 AromaticContact CE1-CE2 3.61Å; Y194-F203 HydrophobicContact CE1-CE2 3.61Å; Y194-F203 AromaticContact CE1-CG 3.68Å; Y194-F203 HydrophobicContact CE1-CG 3.68Å; Y194-F203 HydrophobicContact CG-CD2 4.37Å; Y194-F203 AromaticContact CZ-CD2 3.7Å; Y194-F203 AromaticContact CZ-CE2 3.86Å; Y194-S639 PolarHBondContact OH-O 3.08Å; Y194-L641 HydrophobicContact CD1-CB 4.08Å; Y194-L641 HydrophobicContact CD1-CD1 4.11Å; Y194-L641 HydrophobicContact CD1-CD2 3.8Å; Y194-L641 HydrophobicContact CD1-CG 4.23Å; Y194-L641 HydrophobicContact CE1-CB 3.3Å; Y194-L641 HydrophobicContact CE1-CD1 4.18Å; Y194-L641 HydrophobicContact CE1-CD2 3.47Å; Y194-L641 VanDerWaalsContact CE1-CD2 3.47Å; Y194-L641 HydrophobicContact CE1-CG 3.83Å; Y194-L641 HydrophobicContact CE2-CB 4.15Å; Y194-L641 WeakPolarHBondContact OH-CB 3.5Å; Y194-L641 PolarHBondContact OH-N 3.09Å
195M89.4Confident86.8Confident0 Ų037.2 Ų37.20%020%0.197CC..EExtended strand (participates in β ladder)trans-98.7148.4165.365.7171.3178.200110.8P169 M172 L173 R189 F190 V197 Q201 A202 L204P169-M195 WeakPolarHBondContact O-CE 3.39Å; M172-M195 HydrophobicContact CB-CE 3.77Å; M172-M195 HydrophobicContact CE-CE 3.33Å; M172-M195 HydrophobicContact CG-CE 3.78Å; M172-M195 HydrophobicContact SD-CE 4.39Å; L173-M195 HydrophobicContact CB-CE 4.24Å; L173-M195 HydrophobicContact CB-SD 3.85Å; L173-M195 HydrophobicContact CD1-SD 4.21Å; R189-M195 WeakPolarHBondContact O-CA 3.25Å; R189-M195 WeakPolarHBondContact O-CB 3.23Å; F190-M195 HydrophobicContact CD1-SD 4.33Å; M195-V197 HydrophobicContact SD-CG2 4.27Å; M195-Q201 WeakPolarHBondContact O-CA 3.45Å; M195-A202 HydrophobicContact CE-CB 3.7Å; M195-A202 HydrophobicContact CG-CB 3.99Å; M195-A202 PolarHBondContact N-O 2.92Å; M195-A202 PolarHBondContact O-N 3.27Å; M195-L204 HydrophobicContact CB-CD1 4.01Å; M195-L204 HydrophobicContact CE-CD2 4.24Å; M195-L204 HydrophobicContact CG-CD1 4.02Å; M195-L204 HydrophobicContact CG-CD2 4.48Å; M195-L204 HydrophobicContact CG-CG 4.33Å; M195-L204 HydrophobicContact SD-CD1 4.4Å; M195-L204 HydrophobicContact SD-CD2 4.47Å
196T87.9Confident86.1Confident36 Ų3639.5 Ų39.522%0.22121%0.209CC..EExtended strand (participates in β ladder)trans-112.2125177.2-55.50000109.5V188 R189 L200V188-T196 CarbonylContact C-O 3.5Å; V188-T196 VanDerWaalsContact CA-O 3.29Å; V188-T196 WeakPolarHBondContact CA-O 3.28Å; R189-T196 PolarHBondContact N-O 3.3Å; R189-T196 PolarHBondContact O-N 3.36Å; T196-L200 CarbonylContact C-O 3.51Å; T196-L200 VanDerWaalsContact CA-O 3.29Å; T196-L200 WeakPolarHBondContact CA-O 3.36Å
197V89.4Confident86Confident14 Ų1434.9 Ų34.99%0.08518%0.179CC..EExtended strand (participates in β ladder)trans-127.8106-179.4179.20000108.7M172 L176 V188 M195 G199 L200M172-V197 HydrophobicContact CE-CG2 4.17Å; L176-V197 HydrophobicContact CD1-CB 4.38Å; L176-V197 HydrophobicContact CD1-CG1 3.72Å; L176-V197 HydrophobicContact CD1-CG2 3.69Å; V188-V197 HydrophobicContact CG1-CG2 4.36Å; V188-V197 HydrophobicContact CG2-CG1 4.48Å; M195-V197 HydrophobicContact SD-CG2 4.27Å; V197-G199 PolarHBondContact O-N 3.39Å; V197-G199 VanDerWaalsContact O-N 3.12Å; V197-L200 PolarHBondContact N-O 2.99Å; V197-L200 VanDerWaalsContact O-CB 3.24Å; V197-L200 WeakPolarHBondContact O-CB 3.34Å; V197-L200 PolarHBondContact O-N 2.98Å
198F88.4Confident85.9Confident68 Ų6830.6 Ų30.630%0.29816%0.157SC..THydrogen-bonded Turntrans51.734.2-175.8-59.2-77.1000114F182 N187 V188 R672F182-F198 AromaticContact CD1-CE2 3.92Å; F182-F198 HydrophobicContact CD1-CE2 3.92Å; F182-F198 HydrophobicContact CD1-CZ 4.06Å; F182-F198 AromaticContact CE1-CE2 3.68Å; F182-F198 HydrophobicContact CE1-CE2 3.68Å; F182-F198 AromaticContact CE1-CZ 3.91Å; F182-F198 HydrophobicContact CE1-CZ 3.91Å; N187-F198 HydrophobicContact CB-CD1 3.82Å; N187-F198 HydrophobicContact CB-CE1 4.18Å; N187-F198 PolarHBondContact O-N 3.4Å; V188-F198 HydrophobicContact CG2-CD2 4.37Å; V188-F198 HydrophobicContact CG2-CE2 3.99Å; V188-F198 HydrophobicContact CG2-CZ 4.13Å; F198-R672 PolarHBondContact O-NE 3.3Å
199G82.1Confident85.4Confident29 Ų2930.5 Ų30.530%0.29916%0.157SC..THydrogen-bonded Turntrans92.6-14.9-177.500000114.9V197V197-G199 PolarHBondContact O-N 3.39Å; V197-G199 VanDerWaalsContact O-N 3.12Å
200L84.5Confident85Confident25 Ų2523.5 Ų23.513%0.13114%0.135CC..EExtended strand (participates in β ladder)trans-74.1123.5173.6-17467.9000110.2M172 T196 V197 R672 N675M172-L200 HydrophobicContact CE-CD2 4.27Å; T196-L200 CarbonylContact C-O 3.51Å; T196-L200 VanDerWaalsContact CA-O 3.29Å; T196-L200 WeakPolarHBondContact CA-O 3.36Å; V197-L200 PolarHBondContact N-O 2.99Å; V197-L200 VanDerWaalsContact O-CB 3.24Å; V197-L200 WeakPolarHBondContact O-CB 3.34Å; V197-L200 PolarHBondContact O-N 2.98Å; L200-R672 WeakPolarHBondContact CD1-O 3.43Å; L200-N675 HydrophobicContact CD1-CB 4.28Å; L200-N675 VanDerWaalsContact CD1-ND2 3.32Å; L200-N675 WeakPolarHBondContact CD1-ND2 3.27Å
201Q84.9Confident84.7Confident48 Ų4824.5 Ų24.522%0.22414%0.141CC..EExtended strand (participates in β ladder)trans-91.7133.2171.4-74.8-173.4-15.900111.3M195 L641 H646 Y676M195-Q201 WeakPolarHBondContact O-CA 3.45Å; Q201-L641 HydrophobicContact CB-CD1 4.16Å; Q201-H646 VanDerWaalsContact CD-CE1 3.44Å; Q201-H646 PolarHBondContact OE1-CE1 3.32Å; Q201-H646 VanDerWaalsContact OE1-CE1 3.28Å; Q201-Y676 PolarHBondContact OE1-OH 3.27Å; Q201-Y676 VanDerWaalsContact OE1-OH 3.09Å
202A84.7Confident84.6Confident4 Ų426.8 Ų26.83%0.03315%0.15CC..EExtended strand (participates in β ladder)trans-126.9123.417800000109.9P169 M172 Y194 M195P169-A202 HydrophobicContact CB-CB 4.04Å; M172-A202 HydrophobicContact CE-CB 3.66Å; Y194-A202 VanDerWaalsContact CA-O 3.3Å; Y194-A202 WeakPolarHBondContact CA-O 3.44Å; M195-A202 HydrophobicContact CE-CB 3.7Å; M195-A202 HydrophobicContact CG-CB 3.99Å; M195-A202 PolarHBondContact N-O 2.92Å; M195-A202 PolarHBondContact O-N 3.27Å
203F83.3Confident84.6Confident24 Ų2429.8 Ų29.811%0.10516%0.164CC..EExtended strand (participates in β ladder)trans-77.9129-180-176.9-128.2000111.6P169 P193 Y194 N206 A603 L641 L698P169-F203 WeakPolarHBondContact CB-O 3.28Å; P193-F203 HydrophobicContact CB-CD2 4.27Å; P193-F203 HydrophobicContact CB-CE2 3.85Å; P193-F203 HydrophobicContact CG-CE2 4.43Å; P193-F203 WeakPolarHBondContact O-CD2 3.4Å; Y194-F203 HydrophobicContact CD1-CB 3.75Å; Y194-F203 AromaticContact CD1-CD2 3.41Å; Y194-F203 HydrophobicContact CD1-CD2 3.41Å; Y194-F203 VanDerWaalsContact CD1-CD2 3.41Å; Y194-F203 HydrophobicContact CD1-CE2 4.36Å; Y194-F203 HydrophobicContact CD1-CG 4.03Å; Y194-F203 HydrophobicContact CE1-CB 3.8Å; Y194-F203 AromaticContact CE1-CD2 2.97Å; Y194-F203 HydrophobicContact CE1-CD2 2.97Å; Y194-F203 AromaticContact CE1-CE2 3.61Å; Y194-F203 HydrophobicContact CE1-CE2 3.61Å; Y194-F203 AromaticContact CE1-CG 3.68Å; Y194-F203 HydrophobicContact CE1-CG 3.68Å; Y194-F203 HydrophobicContact CG-CD2 4.37Å; Y194-F203 AromaticContact CZ-CD2 3.7Å; Y194-F203 AromaticContact CZ-CE2 3.86Å; F203-N206 WeakPolarHBondContact CE1-OD1 3.4Å; F203-A603 HydrophobicContact CE1-CB 3.95Å; F203-A603 HydrophobicContact CZ-CB 3.54Å; F203-L641 HydrophobicContact CB-CD2 4.3Å; F203-L698 HydrophobicContact CD1-CD1 3.8Å; F203-L698 HydrophobicContact CE1-CD1 3.91Å; F203-L698 HydrophobicContact CG-CD1 4.22Å; F203-L698 HydrophobicContact CZ-CD1 4.38Å
204L86.6Confident84.7Confident0 Ų034.2 Ų34.20%018%0.184CC..  trans-108.9-8.5-177.9-61.8174.3000112.8P169 L173 F192 P193 M195 N206 A207 L208 I219P169-L204 HydrophobicContact CB-CD2 4.1Å; L173-L204 HydrophobicContact CB-CD2 4.26Å; L173-L204 HydrophobicContact CD2-CD1 4.12Å; L173-L204 HydrophobicContact CD2-CD2 4.49Å; F192-L204 HydrophobicContact CD2-CB 4.17Å; F192-L204 HydrophobicContact CE2-CB 4.39Å; P193-L204 PolarHBondContact O-N 3.15Å; M195-L204 HydrophobicContact CB-CD1 4.01Å; M195-L204 HydrophobicContact CE-CD2 4.24Å; M195-L204 HydrophobicContact CG-CD1 4.02Å; M195-L204 HydrophobicContact CG-CD2 4.48Å; M195-L204 HydrophobicContact CG-CG 4.33Å; M195-L204 HydrophobicContact SD-CD1 4.4Å; M195-L204 HydrophobicContact SD-CD2 4.47Å; L204-N206 VanDerWaalsContact C-N 3.26Å; L204-N206 PolarHBondContact O-N 3.28Å; L204-A207 PolarHBondContact O-N 3.39Å; L204-L208 HydrophobicContact CB-CD1 3.93Å; L204-L208 HydrophobicContact CB-CG 4.33Å; L204-L208 HydrophobicContact CD1-CD1 4.16Å; L204-L208 HydrophobicContact CG-CD1 4.47Å; L204-L208 PolarHBondContact O-N 2.99Å; L204-I219 HydrophobicContact CD1-CD1 3.64Å
205G78.3Confident84.5Confident16 Ų1644.2 Ų44.217%0.16523%0.228CC..THydrogen-bonded Turntrans-63.9-25-173.500000114.9A207G205-A207 VanDerWaalsContact C-N 3.32Å
206N76.5Confident84.2Confident90 Ų9049.3 Ų49.348%0.48126%0.255SS..THydrogen-bonded Turntrans-77-19.6175.2-68.4-10.7000113.2F203 L204F203-N206 WeakPolarHBondContact CE1-OD1 3.4Å; L204-N206 VanDerWaalsContact C-N 3.26Å; L204-N206 PolarHBondContact O-N 3.28Å
207A84Confident83.9Confident5 Ų548.1 Ų48.14%0.04125%0.25CC..THydrogen-bonded Turntrans-112.3-24.5-169.700000113.6A170 L204 G205 F225 S226A170-A207 HydrophobicContact CB-CB 3.33Å; L204-A207 PolarHBondContact O-N 3.39Å; G205-A207 VanDerWaalsContact C-N 3.32Å; A207-F225 CarbonylContact O-C 3.51Å; A207-F225 VanDerWaalsContact O-CA 3.29Å; A207-F225 WeakPolarHBondContact O-CA 3.2Å; A207-S226 PolarHBondContact O-N 3.1Å
208L86.7Confident83.9Confident3 Ų349.1 Ų49.12%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-118.9135.2-175.6-51.9-179.7000110.4L173 F192 L204 V211 I219 F222 F225L173-L208 HydrophobicContact CD2-CD1 3.71Å; F192-L208 HydrophobicContact CD2-CD1 4.47Å; F192-L208 HydrophobicContact CE2-CB 4.2Å; L204-L208 HydrophobicContact CB-CD1 3.93Å; L204-L208 HydrophobicContact CB-CG 4.33Å; L204-L208 HydrophobicContact CD1-CD1 4.16Å; L204-L208 HydrophobicContact CG-CD1 4.47Å; L204-L208 PolarHBondContact O-N 2.99Å; L208-V211 HydrophobicContact CB-CG2 3.77Å; L208-I219 HydrophobicContact CD1-CD1 4.18Å; L208-F222 HydrophobicContact CD1-CD1 4.21Å; L208-F222 HydrophobicContact CD1-CE1 4.41Å; L208-F222 HydrophobicContact CD2-CD1 4.12Å; L208-F222 HydrophobicContact CD2-CD2 4.28Å; L208-F222 HydrophobicContact CD2-CE1 3.98Å; L208-F222 HydrophobicContact CD2-CE2 4.18Å; L208-F222 HydrophobicContact CD2-CG 4.26Å; L208-F222 HydrophobicContact CD2-CZ 4.03Å; L208-F225 HydrophobicContact CD2-CD2 3.38Å; L208-F225 HydrophobicContact CD2-CE2 3.77Å; L208-F225 HydrophobicContact CD2-CG 4.27Å
209A81.2Confident84Confident8 Ų845.9 Ų45.97%0.06624%0.242CC..EExtended strand (participates in β ladder)trans-136160.2168.700000112.2E223 S224A209-E223 PolarHBondContact O-N 3.28Å; A209-E223 VanDerWaalsContact O-N 3.14Å; A209-S224 WeakPolarHBondContact CB-OG 3.38Å; A209-S224 PolarHBondContact N-O 3.31Å; A209-S224 PolarHBondContact O-N 2.76Å; A209-S224 VanDerWaalsContact O-N 3.17Å
210G80.9Confident84.3Confident14 Ų1445.4 Ų45.414%0.14424%0.237CC..SBendtrans66.235.8-171.200000113K212 F222G210-K212 PolarHBondContact O-N 3.46Å; G210-F222 WeakPolarHBondContact O-CA 3.24Å
211V85.3Confident84.6Confident30 Ų3044.9 Ų44.918%0.18224%0.237CC..PPolyproline II helixtrans-74.8122.5-174.1-1760000111F192 L208 Q213 I219 A221 F222F192-V211 HydrophobicContact CB-CG1 4.05Å; F192-V211 HydrophobicContact CD1-CB 4.23Å; F192-V211 HydrophobicContact CD1-CG1 4.23Å; F192-V211 HydrophobicContact CD1-CG2 4.44Å; F192-V211 HydrophobicContact CD2-CB 4.35Å; F192-V211 HydrophobicContact CD2-CG1 4.2Å; F192-V211 HydrophobicContact CD2-CG2 3.82Å; F192-V211 HydrophobicContact CE1-CB 4.34Å; F192-V211 HydrophobicContact CE1-CG2 4.29Å; F192-V211 HydrophobicContact CE2-CB 4.5Å; F192-V211 HydrophobicContact CE2-CG2 3.7Å; F192-V211 HydrophobicContact CG-CB 4.23Å; F192-V211 HydrophobicContact CG-CG1 3.88Å; F192-V211 HydrophobicContact CG-CG2 4.21Å; F192-V211 HydrophobicContact CZ-CB 4.48Å; F192-V211 HydrophobicContact CZ-CG2 3.94Å; L208-V211 HydrophobicContact CB-CG2 3.77Å; V211-Q213 HydrophobicContact CG1-CG 4.35Å; V211-I219 HydrophobicContact CG1-CG1 4.28Å; V211-I219 HydrophobicContact CG1-CG2 4.26Å; V211-A221 CarbonylContact C-O 3.51Å; V211-A221 WeakPolarHBondContact CA-O 3.09Å; V211-F222 HydrophobicContact CG2-CB 4.01Å
212K86.1Confident84.8Confident112 Ų11242.6 Ų42.649%0.48723%0.226SC..EExtended strand (participates in β ladder)trans-103.7118.1171.1-65.2174.5-174.8156.20109.1G210 G220 A221 E223G210-K212 PolarHBondContact O-N 3.46Å; K212-G220 WeakPolarHBondContact O-CA 3.34Å; K212-G220 PolarHBondContact O-N 2.92Å; K212-A221 HydrophobicContact CB-CB 4.26Å; K212-A221 PolarHBondContact N-O 3.49Å; K212-A221 PolarHBondContact O-N 3Å; K212-E223 WeakPolarHBondContact CE-OE1 3.14Å; K212-E223 IonicContact NZ-OE1 2.83Å; K212-E223 PolarHBondContact NZ-OE1 3.45Å
213Q86.1Confident84.8Confident79 Ų7943 Ų4337%0.36923%0.227SC..EExtended strand (participates in β ladder)trans-91.8146.6178-59.7-178.714.100110.8F192 V211 G217 T218F192-Q213 PolarHBondContact O-NE2 3.19Å; V211-Q213 HydrophobicContact CG1-CG 4.35Å; Q213-G217 PolarHBondContact OE1-O 2.96Å; Q213-T218 CarbonylContact C-O 3.59Å; Q213-T218 WeakPolarHBondContact CA-O 3.48Å
214H86.7Confident85Confident98 Ų9842 Ų4245%0.45422%0.223SC..PPolyproline II helixtrans-68.5168.6165-67.7-61.5000110.6N216 G217 T218 G220H214-N216 VanDerWaalsContact CB-OD1 3.3Å; H214-N216 WeakPolarHBondContact CB-OD1 3.45Å; H214-N216 PolarHBondContact O-N 3.48Å; H214-G217 WeakPolarHBondContact O-CA 3.12Å; H214-G217 PolarHBondContact O-N 3.38Å; H214-T218 PolarHBondContact CD2-OG1 3.1Å; H214-T218 PolarHBondContact N-O 3.45Å; H214-G220 WeakPolarHBondContact NE2-CA 3.24Å
215K82.1Confident85.2Confident226 Ų22642 Ų4298%0.98322%0.223SC*.THydrogen-bonded Turntrans-57.7-24.7179.2-68-173.6178-177.40114.2G217K215-G217 VanDerWaalsContact C-N 3.29Å
216N82.9Confident85.7Confident107 Ų10741.9 Ų41.957%0.57222%0.22SC*.THydrogen-bonded Turntrans-86.44.4175.966.7-4000113.4M191 H214 T218M191-N216 WeakPolarHBondContact CE-O 3.45Å; H214-N216 VanDerWaalsContact CB-OD1 3.3Å; H214-N216 WeakPolarHBondContact CB-OD1 3.45Å; H214-N216 PolarHBondContact O-N 3.48Å; N216-T218 VanDerWaalsContact C-N 3.3Å; N216-T218 PolarHBondContact ND2-OG1 2.99Å; N216-T218 PolarHBondContact O-N 3.33Å; N216-T218 WeakPolarHBondContact OD1-CB 3.46Å; N216-T218 PolarHBondContact OD1-N 3.06Å; N216-T218 PolarHBondContact OD1-OG1 3.37Å
217G81.9Confident86.3Confident11 Ų1137.6 Ų37.611%0.11320%0.197CC..SBendtrans79.9-0.6-178.100000115.6M191 Q213 H214 K215M191-G217 VanDerWaalsContact CE-CA 3.48Å; M191-G217 VanDerWaalsContact SD-O 3.41Å; Q213-G217 PolarHBondContact OE1-O 2.96Å; H214-G217 WeakPolarHBondContact O-CA 3.12Å; H214-G217 PolarHBondContact O-N 3.38Å; K215-G217 VanDerWaalsContact C-N 3.29Å
218T88.3Confident86.6Confident34 Ų3437.5 Ų37.521%0.20920%0.196CC..BIsolated β-bridgetrans-71.8145.8176.158.50000111.5F190 M191 Q213 H214 N216 G220F190-T218 CarbonylContact O-C 3.59Å; F190-T218 VanDerWaalsContact O-CA 3.26Å; F190-T218 WeakPolarHBondContact O-CA 3.18Å; M191-T218 HydrophobicContact SD-CG2 3.95Å; Q213-T218 CarbonylContact C-O 3.59Å; Q213-T218 WeakPolarHBondContact CA-O 3.48Å; H214-T218 PolarHBondContact CD2-OG1 3.1Å; H214-T218 PolarHBondContact N-O 3.45Å; N216-T218 VanDerWaalsContact C-N 3.3Å; N216-T218 PolarHBondContact ND2-OG1 2.99Å; N216-T218 PolarHBondContact O-N 3.33Å; N216-T218 WeakPolarHBondContact OD1-CB 3.46Å; N216-T218 PolarHBondContact OD1-N 3.06Å; N216-T218 PolarHBondContact OD1-OG1 3.37Å; T218-G220 PolarHBondContact O-N 2.91Å
219I90Very high86.6Confident0 Ų037.5 Ų37.50%020%0.196CC..EExtended strand (participates in β ladder)trans-62.8118.7177.1-61.4169.7000109.2F125 L173 Y177 F190 F192 L204 L208 V211 F222F125-I219 HydrophobicContact CD1-CG2 4.06Å; F125-I219 HydrophobicContact CE1-CG2 3.81Å; L173-I219 HydrophobicContact CD1-CD1 4.38Å; L173-I219 HydrophobicContact CD2-CD1 4.08Å; Y177-I219 WeakPolarHBondContact CE2-O 3.08Å; Y177-I219 PolarHBondContact OH-O 3.36Å; F190-I219 WeakPolarHBondContact O-CG1 3.42Å; F190-I219 PolarHBondContact O-N 3.4Å; F192-I219 HydrophobicContact CB-CD1 4.09Å; F192-I219 HydrophobicContact CB-CG1 3.84Å; L204-I219 HydrophobicContact CD1-CD1 3.64Å; L208-I219 HydrophobicContact CD1-CD1 4.18Å; V211-I219 HydrophobicContact CG1-CG1 4.28Å; V211-I219 HydrophobicContact CG1-CG2 4.26Å; I219-F222 HydrophobicContact CG2-CD1 4.12Å
220G89.5Confident86.7Confident20 Ų2037.6 Ų37.621%0.20620%0.196CC..EExtended strand (participates in β ladder)trans-104.9-36.7176.800000113.5K212 H214 T218K212-G220 WeakPolarHBondContact O-CA 3.34Å; K212-G220 PolarHBondContact O-N 2.92Å; H214-G220 WeakPolarHBondContact NE2-CA 3.24Å; T218-G220 PolarHBondContact O-N 2.91Å
221A90.5Very high86.8Confident14 Ų1437.2 Ų37.212%0.11619%0.19CC..EExtended strand (participates in β ladder)trans-153.2158176.300000110.6N123 V211 K212N123-A221 HydrophobicContact CB-CB 3.91Å; N123-A221 WeakPolarHBondContact OD1-CA 3.4Å; N123-A221 VanDerWaalsContact OD1-CB 3.29Å; N123-A221 WeakPolarHBondContact OD1-CB 3.25Å; V211-A221 CarbonylContact C-O 3.51Å; V211-A221 WeakPolarHBondContact CA-O 3.09Å; K212-A221 HydrophobicContact CB-CB 4.26Å; K212-A221 PolarHBondContact N-O 3.49Å; K212-A221 PolarHBondContact O-N 3Å
222F89.2Confident86.5Confident0 Ų038.4 Ų38.40%020%0.196CC..  trans-146.3155.3164.255.9-106.2000109.7N123 I124 F125 L129 L173 L208 G210 V211 I219 S224 F225N123-F222 PolarHBondContact OD1-N 3.48Å; N123-F222 PolarHBondContact OD1-O 3.18Å; I124-F222 HydrophobicContact CD1-CD2 4.14Å; I124-F222 HydrophobicContact CD1-CE2 3.97Å; I124-F222 HydrophobicContact CG1-CD2 3.74Å; I124-F222 HydrophobicContact CG1-CE2 3.7Å; I124-F222 WeakPolarHBondContact CG1-O 3.29Å; I124-F222 PolarHBondContact N-O 3.19Å; F125-F222 HydrophobicContact CB-CD1 3.7Å; F125-F222 HydrophobicContact CB-CD2 4.31Å; F125-F222 HydrophobicContact CB-CE1 3.49Å; F125-F222 VanDerWaalsContact CB-CE1 3.49Å; F125-F222 HydrophobicContact CB-CE2 4.1Å; F125-F222 HydrophobicContact CB-CG 4.12Å; F125-F222 HydrophobicContact CB-CZ 3.69Å; F125-F222 HydrophobicContact CD1-CD1 4.07Å; F125-F222 AromaticContact CD1-CE1 3.85Å; F125-F222 HydrophobicContact CD1-CE1 3.85Å; F125-F222 HydrophobicContact CD2-CD1 4.09Å; F125-F222 AromaticContact CD2-CE1 3.11Å; F125-F222 HydrophobicContact CD2-CE1 3.11Å; F125-F222 HydrophobicContact CD2-CE2 4.47Å; F125-F222 AromaticContact CD2-CZ 3.35Å; F125-F222 HydrophobicContact CD2-CZ 3.35Å; F125-F222 HydrophobicContact CE1-CE1 4.28Å; F125-F222 AromaticContact CE2-CE1 3.64Å; F125-F222 HydrophobicContact CE2-CE1 3.64Å; F125-F222 HydrophobicContact CE2-CZ 4.1Å; F125-F222 AromaticContact CG-CD1 3.71Å; F125-F222 HydrophobicContact CG-CD1 3.71Å; F125-F222 AromaticContact CG-CE1 3.2Å; F125-F222 HydrophobicContact CG-CE1 3.2Å; F125-F222 AromaticContact CG-CZ 3.71Å; F125-F222 HydrophobicContact CG-CZ 3.71Å; F125-F222 HydrophobicContact CZ-CE1 4.17Å; L129-F222 HydrophobicContact CD2-CE2 3.46Å; L129-F222 VanDerWaalsContact CD2-CE2 3.46Å; L129-F222 HydrophobicContact CD2-CZ 3.68Å; L173-F222 HydrophobicContact CD2-CE1 4.44Å; L208-F222 HydrophobicContact CD1-CD1 4.21Å; L208-F222 HydrophobicContact CD1-CE1 4.41Å; L208-F222 HydrophobicContact CD2-CD1 4.12Å; L208-F222 HydrophobicContact CD2-CD2 4.28Å; L208-F222 HydrophobicContact CD2-CE1 3.98Å; L208-F222 HydrophobicContact CD2-CE2 4.18Å; L208-F222 HydrophobicContact CD2-CG 4.26Å; L208-F222 HydrophobicContact CD2-CZ 4.03Å; G210-F222 WeakPolarHBondContact O-CA 3.24Å; V211-F222 HydrophobicContact CG2-CB 4.01Å; I219-F222 HydrophobicContact CG2-CD1 4.12Å; F222-S224 WeakPolarHBondContact CD2-O 3.33Å; F222-F225 HydrophobicContact CE2-CB 4.07Å; F222-F225 AromaticContact CE2-CD2 3.91Å; F222-F225 HydrophobicContact CE2-CD2 3.91Å; F222-F225 AromaticContact CZ-CD2 3.88Å; F222-F225 HydrophobicContact CZ-CD2 3.88Å
223E85.6Confident86Confident12 Ų1233.5 Ų33.56%0.05618%0.175CC..SBendtrans-101-23-169.2-63177.4-176.500111.8H121 A209 K212 Y597H121-E223 VanDerWaalsContact CA-CD 3.46Å; H121-E223 WeakPolarHBondContact CA-OE2 3.26Å; H121-E223 IonicContact CG-OE2 3.96Å; H121-E223 IonicContact ND1-OE1 2.87Å; H121-E223 IonicContact ND1-OE2 2.69Å; H121-E223 PolarHBondContact ND1-OE2 2.96Å; A209-E223 PolarHBondContact O-N 3.28Å; A209-E223 VanDerWaalsContact O-N 3.14Å; K212-E223 WeakPolarHBondContact CE-OE1 3.14Å; K212-E223 IonicContact NZ-OE1 2.83Å; K212-E223 PolarHBondContact NZ-OE1 3.45Å; E223-Y597 HydrophobicContact CB-CE1 4.2Å; E223-Y597 WeakPolarHBondContact OE2-CE1 3.44Å
224S86.8Confident85.2Confident2 Ų235 Ų351%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-141.1156.8174.467.40000113.9L115 A209 F222L115-S224 CarbonylContact O-C 3.52Å; L115-S224 WeakPolarHBondContact O-CA 3.3Å; L115-S224 WeakPolarHBondContact O-CB 3.24Å; A209-S224 WeakPolarHBondContact CB-OG 3.38Å; A209-S224 PolarHBondContact N-O 3.31Å; A209-S224 PolarHBondContact O-N 2.76Å; A209-S224 VanDerWaalsContact O-N 3.17Å; F222-S224 WeakPolarHBondContact CD2-O 3.33Å
225F90Very high84Confident0 Ų034.3 Ų34.30%018%0.18CC..EExtended strand (participates in β ladder)trans-138124.4178.2-169.2-75.6000109.8L115 I124 L129 V133 A170 A207 L208 F222 L227L115-F225 HydrophobicContact CB-CB 4.36Å; L115-F225 WeakPolarHBondContact CB-O 3.21Å; L115-F225 PolarHBondContact N-O 3.41Å; L115-F225 PolarHBondContact O-N 3.28Å; I124-F225 HydrophobicContact CD1-CB 4.09Å; L129-F225 HydrophobicContact CD2-CB 4.47Å; V133-F225 HydrophobicContact CB-CE1 4.47Å; V133-F225 HydrophobicContact CG1-CE1 3.74Å; V133-F225 HydrophobicContact CG1-CZ 3.9Å; V133-F225 HydrophobicContact CG2-CD1 3.9Å; V133-F225 HydrophobicContact CG2-CE1 3.81Å; V133-F225 HydrophobicContact CG2-CG 4.39Å; V133-F225 HydrophobicContact CG2-CZ 4.21Å; A170-F225 HydrophobicContact CB-CE1 4.24Å; A170-F225 HydrophobicContact CB-CE2 3.76Å; A170-F225 HydrophobicContact CB-CZ 3.4Å; A170-F225 VanDerWaalsContact CB-CZ 3.4Å; A207-F225 CarbonylContact O-C 3.51Å; A207-F225 VanDerWaalsContact O-CA 3.29Å; A207-F225 WeakPolarHBondContact O-CA 3.2Å; L208-F225 HydrophobicContact CD2-CD2 3.38Å; L208-F225 HydrophobicContact CD2-CE2 3.77Å; L208-F225 HydrophobicContact CD2-CG 4.27Å; F222-F225 HydrophobicContact CE2-CB 4.07Å; F222-F225 AromaticContact CE2-CD2 3.91Å; F222-F225 HydrophobicContact CE2-CD2 3.91Å; F222-F225 AromaticContact CZ-CD2 3.88Å; F222-F225 HydrophobicContact CZ-CD2 3.88Å; F225-L227 HydrophobicContact CD1-CG 4.27Å; F225-L227 HydrophobicContact CE1-CD2 3.79Å; F225-L227 HydrophobicContact CE1-CG 3.93Å
226S88.6Confident82.9Confident15 Ų1527.4 Ų27.411%0.10517%0.173CC..EExtended strand (participates in β ladder)trans-109.3136.2-177.5-1730000111.7I113 A207I113-S226 WeakPolarHBondContact O-CA 3.39Å; A207-S226 PolarHBondContact O-N 3.1Å
227L90.1Very high82Confident0 Ų023 Ų230%015%0.151CC..EExtended strand (participates in β ladder)trans-116134.2168.9-68.8164.5000108.5F112 I113 V133 I136 N167 F225 Y229F112-L227 CarbonylContact C-O 3.2Å; F112-L227 VanDerWaalsContact CA-O 3.25Å; F112-L227 WeakPolarHBondContact CA-O 3.43Å; I113-L227 HydrophobicContact CB-CB 4.4Å; I113-L227 PolarHBondContact N-O 2.77Å; I113-L227 PolarHBondContact O-N 2.92Å; V133-L227 HydrophobicContact CG1-CD1 4.31Å; V133-L227 HydrophobicContact CG1-CD2 4.18Å; I136-L227 HydrophobicContact CB-CD1 4.36Å; I136-L227 HydrophobicContact CG2-CD1 3.87Å; N167-L227 HydrophobicContact CB-CD2 4.14Å; N167-L227 WeakPolarHBondContact OD1-CA 3.24Å; F225-L227 HydrophobicContact CD1-CG 4.27Å; F225-L227 HydrophobicContact CE1-CD2 3.79Å; F225-L227 HydrophobicContact CE1-CG 3.93Å; L227-Y229 HydrophobicContact CB-CE2 3.67Å
228G89.4Confident81.4Confident3 Ų324.3 Ų24.33%0.03115%0.154CC..EExtended strand (participates in β ladder)trans-117.3130.5178.700000110.7H166 N167H166-G228 PolarHBondContact ND1-N 3.24Å; N167-G228 PolarHBondContact ND2-O 3.13Å; N167-G228 PolarHBondContact OD1-N 3.06Å; N167-G228 PolarHBondContact OD1-O 3.41Å
229Y87.6Confident80.5Confident2 Ų228 Ų281%0.00817%0.173CC..EExtended strand (participates in β ladder)trans-128.7143.2178-58.1-78.8000109.1S110 L111 I113 N137 V140 F158 N167 L227 W231S110-Y229 CarbonylContact C-O 3.55Å; S110-Y229 VanDerWaalsContact CA-O 3.23Å; S110-Y229 WeakPolarHBondContact CA-O 3.28Å; L111-Y229 PolarHBondContact N-O 3.2Å; L111-Y229 PolarHBondContact O-N 2.89Å; I113-Y229 HydrophobicContact CD1-CD2 4.15Å; I113-Y229 HydrophobicContact CD1-CE2 3.82Å; I113-Y229 HydrophobicContact CG1-CD2 4.43Å; I113-Y229 HydrophobicContact CG1-CE2 4.34Å; N137-Y229 WeakPolarHBondContact CA-OH 3.44Å; N137-Y229 PolarHBondContact OD1-OH 3.33Å; V140-Y229 HydrophobicContact CB-CD1 4.12Å; V140-Y229 HydrophobicContact CB-CD2 4.5Å; V140-Y229 HydrophobicContact CB-CE1 3.86Å; V140-Y229 HydrophobicContact CB-CE2 4.27Å; V140-Y229 HydrophobicContact CB-CG 4.43Å; V140-Y229 HydrophobicContact CG1-CD1 3.52Å; V140-Y229 HydrophobicContact CG1-CD2 3.99Å; V140-Y229 HydrophobicContact CG1-CE1 3.82Å; V140-Y229 HydrophobicContact CG1-CE2 4.25Å; V140-Y229 HydrophobicContact CG1-CG 3.62Å; V140-Y229 HydrophobicContact CG2-CD2 4.39Å; V140-Y229 HydrophobicContact CG2-CE1 4.48Å; V140-Y229 HydrophobicContact CG2-CE2 4.02Å; F158-Y229 HydrophobicContact CE2-CD1 4.33Å; F158-Y229 HydrophobicContact CZ-CD1 4.17Å; N167-Y229 VanDerWaalsContact ND2-CE1 3.3Å; N167-Y229 WeakPolarHBondContact ND2-CE1 3.4Å; L227-Y229 HydrophobicContact CB-CE2 3.67Å; Y229-W231 VanDerWaalsContact CB-CH2 3.47Å; Y229-W231 HydrophobicContact CG-CH2 4.4Å
230S83.6Confident79.8Confident10 Ų1029.9 Ų29.97%0.0718%0.184CC..EExtended strand (participates in β ladder)trans-139146.8-179.866.50000111.7V109 N159 N163V109-S230 CarbonylContact O-C 3.56Å; V109-S230 WeakPolarHBondContact O-CA 3.16Å; N159-S230 WeakPolarHBondContact CB-O 3.34Å; N159-S230 WeakPolarHBondContact CB-OG 3.39Å; N159-S230 PolarHBondContact N-O 2.92Å; N159-S230 PolarHBondContact ND2-OG 3.41Å; N159-S230 VanDerWaalsContact ND2-OG 3.13Å; N163-S230 VanDerWaalsContact CG-N 3.34Å; N163-S230 PolarHBondContact ND2-N 2.67Å; N163-S230 PolarHBondContact ND2-O 2.87Å; N163-S230 WeakPolarHBondContact OD1-CA 3.3Å; N163-S230 WeakPolarHBondContact OD1-CB 3.5Å; N163-S230 PolarHBondContact OD1-N 3.29Å; N163-S230 PolarHBondContact OD1-O 2.69Å; N163-S230 PolarHBondContact OD1-OG 3.07Å
231W82.5Confident79.3Confident7 Ų729 Ų293%0.02717%0.174CC..EExtended strand (participates in β ladder)trans-129.9148.1177-61.2-107.2000109.1T108 V109 L111 V140 F156 T157 F158 Y229 F241 I248T108-W231 CarbonylContact C-O 3.58Å; T108-W231 WeakPolarHBondContact CA-O 3.18Å; V109-W231 HydrophobicContact CG2-CB 3.89Å; V109-W231 PolarHBondContact N-O 2.88Å; V109-W231 PolarHBondContact O-N 2.89Å; L111-W231 HydrophobicContact CB-CH2 4.24Å; L111-W231 HydrophobicContact CB-CZ3 3.76Å; L111-W231 HydrophobicContact CD2-CH2 4.38Å; V140-W231 HydrophobicContact CG1-CH2 4.08Å; V140-W231 HydrophobicContact CG1-CZ2 3.9Å; F156-W231 HydrophobicContact CB-CB 4.26Å; F156-W231 HydrophobicContact CD1-CB 4.12Å; T157-W231 CarbonylContact O-C 3.49Å; T157-W231 VanDerWaalsContact O-CA 3.32Å; T157-W231 WeakPolarHBondContact O-CA 3.22Å; F158-W231 AromaticContact CD2-CD1 3.87Å; F158-W231 HydrophobicContact CD2-CD2 4.37Å; F158-W231 AromaticContact CD2-CE2 3.75Å; F158-W231 HydrophobicContact CD2-CG 4.41Å; F158-W231 HydrophobicContact CD2-CZ2 4.21Å; F158-W231 AromaticContact CD2-NE1 3.46Å; F158-W231 HydrophobicContact CE2-CZ2 4.08Å; Y229-W231 VanDerWaalsContact CB-CH2 3.47Å; Y229-W231 HydrophobicContact CG-CH2 4.4Å; W231-F241 HydrophobicContact CD2-CE2 4.42Å; W231-F241 AromaticContact CE3-CE2 3.83Å; W231-F241 HydrophobicContact CE3-CE2 3.83Å; W231-F241 HydrophobicContact CE3-CZ 4.34Å; W231-F241 HydrophobicContact CZ3-CE2 4.15Å; W231-F241 HydrophobicContact CZ3-CZ 4.43Å; W231-I248 HydrophobicContact CH2-CD1 4.1Å; W231-I248 HydrophobicContact CZ2-CD1 4.29Å
232L78.9Confident78.7Confident55 Ų5530.6 Ų30.629%0.28818%0.179SC..EExtended strand (participates in β ladder)trans-96.6130.4172.2-58.3174.8000108.6I106 R107 T108 F156 T157 N159I106-L232 HydrophobicContact CG2-CB 4Å; I106-L232 HydrophobicContact CG2-CD2 4.23Å; R107-L232 CarbonylContact O-C 3.56Å; R107-L232 WeakPolarHBondContact O-CA 3.19Å; T108-L232 HydrophobicContact CG2-CD2 4.34Å; T108-L232 WeakPolarHBondContact OG1-CD2 3.43Å; F156-L232 CarbonylContact C-O 3.59Å; F156-L232 WeakPolarHBondContact CA-O 3.42Å; T157-L232 PolarHBondContact N-O 3.22Å; T157-L232 PolarHBondContact O-N 3.46Å; N159-L232 HydrophobicContact CB-CG 4.39Å
233T75.9Confident78.2Confident9 Ų935.1 Ų35.16%0.05520%0.203CC..EExtended strand (participates in β ladder)trans-128.9143.9175.3-178.90000111.1R107 V109 Q155 F156 D235R107-T233 HydrophobicContact CB-CG2 4.29Å; R107-T233 PolarHBondContact N-O 3.25Å; R107-T233 PolarHBondContact O-N 3.39Å; V109-T233 HydrophobicContact CG1-CG2 4.14Å; Q155-T233 WeakPolarHBondContact O-CA 3.45Å; Q155-T233 PolarHBondContact O-OG1 2.98Å; F156-T233 HydrophobicContact CD1-CG2 4.31Å; F156-T233 HydrophobicContact CE1-CG2 3.89Å; T233-D235 PolarHBondContact OG1-N 2.99Å; T233-D235 PolarHBondContact OG1-O 2.94Å
234K68.8Low77.9Confident110 Ų11034.6 Ų34.648%0.47820%0.201SC..SBendtrans-89.4-24.7172-73.6-174.4177.8-1760112.7I106I106-K234 HydrophobicContact CG1-CG 4.07Å
235D61.4Low77.7Confident83 Ų8334.8 Ų34.844%0.44420%0.202SC..SBendtrans-128.2148.4-170.2-67.6-43.8000111.4T233 A237T233-D235 PolarHBondContact OG1-N 2.99Å; T233-D235 PolarHBondContact OG1-O 2.94Å; D235-A237 PolarHBondContact O-N 3.35Å
236G59Low77.4Confident81 Ų8140.7 Ų40.784%0.83523%0.228SC*.  trans-68.152.9178.900000114.1F238G236-F238 PolarHBondContact O-N 2.95Å
237A65.3Low77.2Confident14 Ų1441.6 Ų41.612%0.11623%0.232CC..  trans-75.952.617700000111.4Q155 F156 D235 D239 T240 F241Q155-A237 HydrophobicContact CB-CB 4.46Å; Q155-A237 VanDerWaalsContact OE1-CB 3.24Å; F156-A237 HydrophobicContact CE2-CB 3.73Å; F156-A237 HydrophobicContact CZ-CB 3.75Å; F156-A237 WeakPolarHBondContact CZ-O 3.38Å; D235-A237 PolarHBondContact O-N 3.35Å; A237-D239 PolarHBondContact O-N 3.34Å; A237-T240 WeakPolarHBondContact O-CB 3.25Å; A237-T240 PolarHBondContact O-N 3.5Å; A237-F241 PolarHBondContact O-N 3.31Å
238F68.3Low77.1Confident39 Ų3941.6 Ų41.617%0.17123%0.232CC..Hα-helixtrans-56.3-48.9-178.4174.1-100.9000112.3G236 T240 F241 Q242 E269 F273G236-F238 PolarHBondContact O-N 2.95Å; F238-T240 VanDerWaalsContact C-N 3.27Å; F238-T240 PolarHBondContact O-N 3.23Å; F238-F241 CarbonylContact O-C 3.46Å; F238-F241 WeakPolarHBondContact O-CA 3.42Å; F238-F241 WeakPolarHBondContact O-CB 3.43Å; F238-F241 PolarHBondContact O-N 2.84Å; F238-Q242 HydrophobicContact CD1-CG 4.24Å; F238-Q242 HydrophobicContact CD2-CG 4.47Å; F238-Q242 HydrophobicContact CE1-CG 3.58Å; F238-Q242 HydrophobicContact CE2-CG 3.89Å; F238-Q242 HydrophobicContact CZ-CG 3.36Å; F238-Q242 PolarHBondContact O-N 3.3Å; F238-E269 HydrophobicContact CD2-CG 3.42Å; F238-E269 VanDerWaalsContact CD2-CG 3.42Å; F238-E269 WeakPolarHBondContact CD2-OE1 3.28Å; F238-E269 HydrophobicContact CE2-CB 4.44Å; F238-E269 HydrophobicContact CE2-CG 3.55Å; F238-E269 WeakPolarHBondContact CE2-OE1 3.44Å; F238-F273 HydrophobicContact CD1-CD2 4.46Å; F238-F273 HydrophobicContact CE1-CB 4.12Å; F238-F273 AromaticContact CE1-CD2 3.28Å; F238-F273 HydrophobicContact CE1-CD2 3.28Å; F238-F273 AromaticContact CE1-CE2 3.78Å; F238-F273 HydrophobicContact CE1-CE2 3.78Å; F238-F273 AromaticContact CE1-CG 3.82Å; F238-F273 HydrophobicContact CE1-CG 3.82Å; F238-F273 HydrophobicContact CE2-CB 3.89Å; F238-F273 HydrophobicContact CE2-CG 4.43Å; F238-F273 HydrophobicContact CZ-CB 3.27Å; F238-F273 HydrophobicContact CZ-CD1 4.27Å; F238-F273 AromaticContact CZ-CD2 3.37Å; F238-F273 HydrophobicContact CZ-CD2 3.37Å; F238-F273 HydrophobicContact CZ-CE2 4.22Å; F238-F273 AromaticContact CZ-CG 3.38Å; F238-F273 HydrophobicContact CZ-CG 3.38Å
239D70.2Confident77.1Confident113 Ų11343.2 Ų43.260%0.60424%0.239SC*.Hα-helixtrans-60.3-40.2-179.5-63-33000111.2A237 Q242 N243A237-D239 PolarHBondContact O-N 3.34Å; D239-Q242 PolarHBondContact O-N 3.3Å; D239-N243 VanDerWaalsContact O-CG 3.29Å; D239-N243 PolarHBondContact O-N 2.85Å; D239-N243 PolarHBondContact O-ND2 2.91Å
240T74.8Confident77.2Confident38 Ų3846.9 Ų46.923%0.23326%0.259CS..Hα-helixtrans-61.9-44.9173.3-47.30000110.7Q155 F156 A237 F238 Q242 N243 I244Q155-T240 PolarHBondContact OE1-OG1 3.47Å; F156-T240 HydrophobicContact CD2-CG2 4.46Å; F156-T240 HydrophobicContact CE2-CG2 3.92Å; A237-T240 WeakPolarHBondContact O-CB 3.25Å; A237-T240 PolarHBondContact O-N 3.5Å; F238-T240 VanDerWaalsContact C-N 3.27Å; F238-T240 PolarHBondContact O-N 3.23Å; T240-Q242 PolarHBondContact O-N 3.04Å; T240-N243 PolarHBondContact O-N 3.06Å; T240-I244 HydrophobicContact CG2-CD1 4.21Å; T240-I244 WeakPolarHBondContact O-CD1 3.19Å; T240-I244 VanDerWaalsContact O-CG1 3.3Å; T240-I244 WeakPolarHBondContact O-CG1 3.4Å; T240-I244 PolarHBondContact O-N 3.01Å
241F78Confident77.6Confident2 Ų248.5 Ų48.51%0.00926%0.264CS..Hα-helixtrans-64.3-39.7178.6-168.6-117.5000112.8V109 F156 W231 A237 F238 I244 I245 E269V109-F241 HydrophobicContact CB-CD2 4.49Å; V109-F241 HydrophobicContact CB-CE1 4.07Å; V109-F241 HydrophobicContact CB-CE2 4.08Å; V109-F241 HydrophobicContact CB-CZ 3.85Å; V109-F241 HydrophobicContact CG2-CD2 3.85Å; V109-F241 HydrophobicContact CG2-CE1 4.4Å; V109-F241 HydrophobicContact CG2-CE2 3.52Å; V109-F241 HydrophobicContact CG2-CG 4.44Å; V109-F241 HydrophobicContact CG2-CZ 3.83Å; F156-F241 HydrophobicContact CE1-CB 4.25Å; F156-F241 HydrophobicContact CE1-CD2 4.06Å; F156-F241 HydrophobicContact CE1-CG 4.43Å; F156-F241 HydrophobicContact CZ-CB 3.86Å; F156-F241 HydrophobicContact CZ-CD2 4.4Å; W231-F241 HydrophobicContact CD2-CE2 4.42Å; W231-F241 AromaticContact CE3-CE2 3.83Å; W231-F241 HydrophobicContact CE3-CE2 3.83Å; W231-F241 HydrophobicContact CE3-CZ 4.34Å; W231-F241 HydrophobicContact CZ3-CE2 4.15Å; W231-F241 HydrophobicContact CZ3-CZ 4.43Å; A237-F241 PolarHBondContact O-N 3.31Å; F238-F241 CarbonylContact O-C 3.46Å; F238-F241 WeakPolarHBondContact O-CA 3.42Å; F238-F241 WeakPolarHBondContact O-CB 3.43Å; F238-F241 PolarHBondContact O-N 2.84Å; F241-I244 WeakPolarHBondContact O-CB 3.39Å; F241-I244 PolarHBondContact O-N 3.25Å; F241-I245 HydrophobicContact CD1-CD1 3.57Å; F241-I245 HydrophobicContact CD1-CG1 4.44Å; F241-I245 HydrophobicContact CE1-CD1 3.41Å; F241-I245 VanDerWaalsContact CE1-CD1 3.41Å; F241-I245 HydrophobicContact CE1-CG1 4.19Å; F241-I245 HydrophobicContact CG-CD1 4.28Å; F241-I245 HydrophobicContact CZ-CD1 3.99Å; F241-I245 HydrophobicContact CZ-CG1 4.29Å; F241-I245 WeakPolarHBondContact O-CG1 3.01Å; F241-I245 PolarHBondContact O-N 3.37Å; F241-E269 HydrophobicContact CD1-CB 4.23Å; F241-E269 HydrophobicContact CD1-CG 4.09Å; F241-E269 HydrophobicContact CE1-CB 4.2Å
242Q77.8Confident78Confident48 Ų4848.1 Ų48.122%0.22426%0.263CS..Hα-helixtrans-63-41.4173.8-74.8-160.9-48.600112.6F238 D239 T240 I244 I245 K246 F273F238-Q242 HydrophobicContact CD1-CG 4.24Å; F238-Q242 HydrophobicContact CD2-CG 4.47Å; F238-Q242 HydrophobicContact CE1-CG 3.58Å; F238-Q242 HydrophobicContact CE2-CG 3.89Å; F238-Q242 HydrophobicContact CZ-CG 3.36Å; F238-Q242 PolarHBondContact O-N 3.3Å; D239-Q242 PolarHBondContact O-N 3.3Å; T240-Q242 PolarHBondContact O-N 3.04Å; Q242-I244 VanDerWaalsContact C-N 3.32Å; Q242-I244 PolarHBondContact O-N 3.3Å; Q242-I245 PolarHBondContact O-N 3.12Å; Q242-K246 WeakPolarHBondContact O-CB 3.32Å; Q242-K246 PolarHBondContact O-N 3.34Å; Q242-F273 VanDerWaalsContact NE2-CE1 3.32Å
243N78.9Confident78.6Confident94 Ų9451.7 Ų51.750%0.50327%0.273SS..Hα-helixtrans-61.5-43.9176.1-70.8-29.7000110.8D239 T240 I245 K246 V247D239-N243 VanDerWaalsContact O-CG 3.29Å; D239-N243 PolarHBondContact O-N 2.85Å; D239-N243 PolarHBondContact O-ND2 2.91Å; T240-N243 PolarHBondContact O-N 3.06Å; N243-I245 PolarHBondContact O-N 3.38Å; N243-K246 WeakPolarHBondContact O-CB 3.43Å; N243-K246 PolarHBondContact O-N 3.49Å; N243-K246 VanDerWaalsContact O-N 3.16Å; N243-V247 WeakPolarHBondContact O-CG2 3.19Å; N243-V247 PolarHBondContact O-N 3.27Å
244I79.8Confident79.4Confident1 Ų154.9 Ų54.91%0.00530%0.3CS..Hα-helixtrans-58.3-47175-67.1159.7000111I146 E149 A150 F156 T240 F241 Q242 K246 V247 I248I146-I244 HydrophobicContact CG2-CG2 4.32Å; E149-I244 HydrophobicContact CB-CG1 4.45Å; A150-I244 HydrophobicContact CB-CD1 3.48Å; A150-I244 VanDerWaalsContact CB-CD1 3.48Å; A150-I244 HydrophobicContact CB-CG1 4.18Å; F156-I244 HydrophobicContact CD2-CD1 4.19Å; F156-I244 HydrophobicContact CE2-CD1 4.37Å; T240-I244 HydrophobicContact CG2-CD1 4.21Å; T240-I244 WeakPolarHBondContact O-CD1 3.19Å; T240-I244 VanDerWaalsContact O-CG1 3.3Å; T240-I244 WeakPolarHBondContact O-CG1 3.4Å; T240-I244 PolarHBondContact O-N 3.01Å; F241-I244 WeakPolarHBondContact O-CB 3.39Å; F241-I244 PolarHBondContact O-N 3.25Å; Q242-I244 VanDerWaalsContact C-N 3.32Å; Q242-I244 PolarHBondContact O-N 3.3Å; I244-K246 VanDerWaalsContact C-N 3.32Å; I244-K246 PolarHBondContact O-N 3.48Å; I244-V247 PolarHBondContact O-N 2.86Å; I244-I248 HydrophobicContact CG2-CD1 3.79Å; I244-I248 HydrophobicContact CG2-CG1 4.48Å; I244-I248 VanDerWaalsContact O-CG1 3.27Å; I244-I248 WeakPolarHBondContact O-CG1 3.46Å; I244-I248 PolarHBondContact O-N 3.4Å
245I82.9Confident80.5Confident6 Ų651 Ų513%0.03129%0.285CS..Hα-helixtrans-59.5-45.1177.2-68.8159.5000110.4L111 F241 Q242 N243 V247 I248 E249 I270L111-I245 HydrophobicContact CD1-CG1 4.13Å; L111-I245 HydrophobicContact CD1-CG2 4.25Å; L111-I245 HydrophobicContact CD2-CG1 4.28Å; F241-I245 HydrophobicContact CD1-CD1 3.57Å; F241-I245 HydrophobicContact CD1-CG1 4.44Å; F241-I245 HydrophobicContact CE1-CD1 3.41Å; F241-I245 VanDerWaalsContact CE1-CD1 3.41Å; F241-I245 HydrophobicContact CE1-CG1 4.19Å; F241-I245 HydrophobicContact CG-CD1 4.28Å; F241-I245 HydrophobicContact CZ-CD1 3.99Å; F241-I245 HydrophobicContact CZ-CG1 4.29Å; F241-I245 WeakPolarHBondContact O-CG1 3.01Å; F241-I245 PolarHBondContact O-N 3.37Å; Q242-I245 PolarHBondContact O-N 3.12Å; N243-I245 PolarHBondContact O-N 3.38Å; I245-V247 PolarHBondContact O-N 3.32Å; I245-I248 CarbonylContact O-C 3.57Å; I245-I248 WeakPolarHBondContact O-CB 3.13Å; I245-I248 PolarHBondContact O-N 3.3Å; I245-E249 HydrophobicContact CG2-CG 4.26Å; I245-E249 WeakPolarHBondContact O-CG 3.38Å; I245-E249 PolarHBondContact O-N 3.32Å; I245-I270 HydrophobicContact CD1-CD1 3.68Å; I245-I270 HydrophobicContact CD1-CG1 3.68Å; I245-I270 HydrophobicContact CG1-CD1 4.49Å; I245-I270 HydrophobicContact CG2-CD1 3.89Å
246K83.8Confident81.9Confident125 Ų12547.5 Ų47.554%0.54327%0.266SS..Hα-helixtrans-62.4-42.8179.7-170.4-178.8177.9-174.90111.9Q242 N243 I244 I248 E249 D250Q242-K246 WeakPolarHBondContact O-CB 3.32Å; Q242-K246 PolarHBondContact O-N 3.34Å; N243-K246 WeakPolarHBondContact O-CB 3.43Å; N243-K246 PolarHBondContact O-N 3.49Å; N243-K246 VanDerWaalsContact O-N 3.16Å; I244-K246 VanDerWaalsContact C-N 3.32Å; I244-K246 PolarHBondContact O-N 3.48Å; K246-I248 VanDerWaalsContact C-N 3.34Å; K246-E249 PolarHBondContact O-N 3.39Å; K246-D250 WeakPolarHBondContact O-CB 3.16Å; K246-D250 PolarHBondContact O-N 2.81Å
247V85Confident83.2Confident34 Ų3446.1 Ų46.121%0.20625%0.251CS..Hα-helixtrans-61.7-43.6174.2171.70000110.8I146 E149 N243 I244 I245 D250 K251I146-V247 HydrophobicContact CG1-CG1 4.31Å; E149-V247 WeakPolarHBondContact OE2-CG2 3.4Å; N243-V247 WeakPolarHBondContact O-CG2 3.19Å; N243-V247 PolarHBondContact O-N 3.27Å; I244-V247 PolarHBondContact O-N 2.86Å; I245-V247 PolarHBondContact O-N 3.32Å; V247-D250 PolarHBondContact O-N 3.44Å; V247-K251 HydrophobicContact CG1-CD 4.21Å; V247-K251 VanDerWaalsContact O-CG 3.32Å; V247-K251 WeakPolarHBondContact O-CG 3.27Å; V247-K251 PolarHBondContact O-N 3.1Å
248I88Confident84.1Confident0 Ų053.8 Ų53.80%029%0.29CS..Hα-helixtrans-59.9-48174.5-70.1167.1000110.3L111 I113 V140 I146 W231 I244 I245 K246 D250 K251 V252L111-I248 HydrophobicContact CD2-CB 4.44Å; L111-I248 HydrophobicContact CD2-CD1 3.67Å; L111-I248 HydrophobicContact CD2-CG2 4.04Å; I113-I248 HydrophobicContact CD1-CG2 3.78Å; V140-I248 HydrophobicContact CG2-CG2 4.26Å; I146-I248 HydrophobicContact CD1-CD1 4.33Å; I146-I248 HydrophobicContact CD1-CG1 3.54Å; I146-I248 HydrophobicContact CG1-CG1 4.1Å; W231-I248 HydrophobicContact CH2-CD1 4.1Å; W231-I248 HydrophobicContact CZ2-CD1 4.29Å; I244-I248 HydrophobicContact CG2-CD1 3.79Å; I244-I248 HydrophobicContact CG2-CG1 4.48Å; I244-I248 VanDerWaalsContact O-CG1 3.27Å; I244-I248 WeakPolarHBondContact O-CG1 3.46Å; I244-I248 PolarHBondContact O-N 3.4Å; I245-I248 CarbonylContact O-C 3.57Å; I245-I248 WeakPolarHBondContact O-CB 3.13Å; I245-I248 PolarHBondContact O-N 3.3Å; K246-I248 VanDerWaalsContact C-N 3.34Å; I248-D250 PolarHBondContact O-N 3.48Å; I248-K251 PolarHBondContact O-N 3.14Å; I248-V252 HydrophobicContact CG2-CG2 4Å; I248-V252 VanDerWaalsContact O-CB 3.29Å; I248-V252 WeakPolarHBondContact O-CB 3.23Å; I248-V252 WeakPolarHBondContact O-CG2 3.38Å; I248-V252 PolarHBondContact O-N 3.39Å
249E89.1Confident84.9Confident36 Ų3653.1 Ų53.117%0.16829%0.29CS..Hα-helixtrans-60.4-46.4179.7-75.2-178.3-178.600112.5I245 K246 K251 V252 R253 F263 T265I245-E249 HydrophobicContact CG2-CG 4.26Å; I245-E249 WeakPolarHBondContact O-CG 3.38Å; I245-E249 PolarHBondContact O-N 3.32Å; K246-E249 PolarHBondContact O-N 3.39Å; E249-K251 VanDerWaalsContact C-N 3.34Å; E249-K251 PolarHBondContact O-N 3.21Å; E249-V252 PolarHBondContact O-N 2.8Å; E249-R253 VanDerWaalsContact O-CB 3.27Å; E249-R253 WeakPolarHBondContact O-CB 3.49Å; E249-R253 PolarHBondContact O-N 3.21Å; E249-F263 HydrophobicContact CB-CE2 4.26Å; E249-F263 HydrophobicContact CB-CZ 4.31Å; E249-F263 HydrophobicContact CG-CE2 4.11Å; E249-F263 VanDerWaalsContact O-CZ 3.32Å; E249-F263 WeakPolarHBondContact O-CZ 3.47Å; E249-T265 HydrophobicContact CG-CG2 3.63Å; E249-T265 WeakPolarHBondContact OE1-CB 3.19Å; E249-T265 PolarHBondContact OE1-OG1 3.03Å
250D89.7Confident85.6Confident79 Ų7953.7 Ų53.742%0.42229%0.293SS..Hα-helixtrans-65-40.8-178.7-74.2-20.8000111.1K246 V247 I248 R253 A254K246-D250 WeakPolarHBondContact O-CB 3.16Å; K246-D250 PolarHBondContact O-N 2.81Å; V247-D250 PolarHBondContact O-N 3.44Å; I248-D250 PolarHBondContact O-N 3.48Å; D250-R253 PolarHBondContact O-N 2.9Å; D250-R253 IonicContact OD1-CZ 3.18Å; D250-R253 IonicContact OD1-NH1 2.76Å; D250-R253 PolarHBondContact OD1-NH1 2.91Å; D250-A254 PolarHBondContact O-N 3.26Å
251K90.6Very high86.3Confident44 Ų4452.5 Ų52.519%0.19129%0.286CS..Hα-helixtrans-72.5-38.4176-62.7-174.3-179.5-168.40113L139 D143 D145 V247 I248 E249 R253 A254 I255L139-K251 HydrophobicContact CD1-CB 3.41Å; L139-K251 VanDerWaalsContact CD1-CB 3.41Å; L139-K251 HydrophobicContact CD1-CD 3.7Å; L139-K251 HydrophobicContact CD1-CG 4.15Å; L139-K251 HydrophobicContact CD2-CB 4.29Å; L139-K251 HydrophobicContact CG-CB 4.44Å; L139-K251 HydrophobicContact CG-CD 4.33Å; D143-K251 IonicContact OD1-NZ 2.64Å; D143-K251 PolarHBondContact OD1-NZ 3.49Å; D143-K251 IonicContact OD2-NZ 3.15Å; D143-K251 PolarHBondContact OD2-NZ 2.9Å; D145-K251 IonicContact OD2-NZ 3.38Å; D145-K251 PolarHBondContact OD2-NZ 3.35Å; V247-K251 HydrophobicContact CG1-CD 4.21Å; V247-K251 VanDerWaalsContact O-CG 3.32Å; V247-K251 WeakPolarHBondContact O-CG 3.27Å; V247-K251 PolarHBondContact O-N 3.1Å; I248-K251 PolarHBondContact O-N 3.14Å; E249-K251 VanDerWaalsContact C-N 3.34Å; E249-K251 PolarHBondContact O-N 3.21Å; K251-R253 VanDerWaalsContact C-N 3.29Å; K251-R253 PolarHBondContact O-N 3.4Å; K251-A254 WeakPolarHBondContact O-CB 3.38Å; K251-A254 PolarHBondContact O-N 2.91Å; K251-I255 WeakPolarHBondContact O-CG1 3.21Å; K251-I255 PolarHBondContact O-N 3.43Å
252V91.9Very high86.8Confident0 Ų054.6 Ų54.60%030%0.298CS..Hα-helixtrans-62-40.8173.6169.80000110.2I113 I136 I248 E249 A254 I255 L256 F263I113-V252 HydrophobicContact CD1-CG2 4.28Å; I136-V252 HydrophobicContact CD1-CG1 4.11Å; I136-V252 HydrophobicContact CG1-CG1 4.47Å; I136-V252 HydrophobicContact CG1-CG2 4.3Å; I136-V252 HydrophobicContact CG2-CG2 4.06Å; I248-V252 HydrophobicContact CG2-CG2 4Å; I248-V252 VanDerWaalsContact O-CB 3.29Å; I248-V252 WeakPolarHBondContact O-CB 3.23Å; I248-V252 WeakPolarHBondContact O-CG2 3.38Å; I248-V252 PolarHBondContact O-N 3.39Å; E249-V252 PolarHBondContact O-N 2.8Å; V252-A254 VanDerWaalsContact C-N 3.31Å; V252-A254 PolarHBondContact O-N 3.46Å; V252-I255 PolarHBondContact O-N 3.11Å; V252-L256 HydrophobicContact CG1-CD1 3.95Å; V252-L256 HydrophobicContact CG1-CG 4.35Å; V252-L256 VanDerWaalsContact O-CG 3.31Å; V252-L256 WeakPolarHBondContact O-CG 3.49Å; V252-L256 PolarHBondContact O-N 2.8Å; V252-F263 HydrophobicContact CB-CD2 4.5Å; V252-F263 HydrophobicContact CB-CE2 4.09Å; V252-F263 HydrophobicContact CB-CZ 4.12Å; V252-F263 HydrophobicContact CG1-CD1 3.96Å; V252-F263 HydrophobicContact CG1-CD2 3.71Å; V252-F263 HydrophobicContact CG1-CE1 3.99Å; V252-F263 HydrophobicContact CG1-CE2 3.75Å; V252-F263 HydrophobicContact CG1-CG 3.8Å; V252-F263 HydrophobicContact CG1-CZ 3.9Å
253R91.6Very high87.3Confident129 Ų12954 Ų5449%0.48730%0.295SS..Hα-helixtrans-61.7-40.1174.8-165.9176.2-61.1120.35.9111.6E249 D250 K251 L256 G257 F263E249-R253 VanDerWaalsContact O-CB 3.27Å; E249-R253 WeakPolarHBondContact O-CB 3.49Å; E249-R253 PolarHBondContact O-N 3.21Å; D250-R253 PolarHBondContact O-N 2.9Å; D250-R253 IonicContact OD1-CZ 3.18Å; D250-R253 IonicContact OD1-NH1 2.76Å; D250-R253 PolarHBondContact OD1-NH1 2.91Å; K251-R253 VanDerWaalsContact C-N 3.29Å; K251-R253 PolarHBondContact O-N 3.4Å; R253-L256 PolarHBondContact O-N 3.09Å; R253-G257 PolarHBondContact O-N 3.13Å; R253-F263 HydrophobicContact CB-CE1 3.88Å; R253-F263 HydrophobicContact CB-CZ 4.12Å; R253-F263 HydrophobicContact CG-CE1 4.32Å
254A91.8Very high87.7Confident76 Ų7649.9 Ų49.963%0.62828%0.275SS*.Hα-helixtrans-64.5-42.6174.900000112.6D250 K251 V252 G257D250-A254 PolarHBondContact O-N 3.26Å; K251-A254 WeakPolarHBondContact O-CB 3.38Å; K251-A254 PolarHBondContact O-N 2.91Å; V252-A254 VanDerWaalsContact C-N 3.31Å; V252-A254 PolarHBondContact O-N 3.46Å; A254-G257 PolarHBondContact O-N 3.04Å
255I92.1Very high88Confident30 Ų3050.4 Ų50.415%0.15428%0.278CS..Hα-helixtrans-62.4-43.4176.2-69.8166000111.1L132 E135 I136 L139 K251 V252 G257L132-I255 HydrophobicContact CD2-CG2 3.75Å; L132-I255 WeakPolarHBondContact CD2-O 3.14Å; E135-I255 HydrophobicContact CB-CG2 4.2Å; E135-I255 HydrophobicContact CG-CD1 4.01Å; E135-I255 HydrophobicContact CG-CG1 4.14Å; E135-I255 HydrophobicContact CG-CG2 4.09Å; I136-I255 HydrophobicContact CG1-CD1 4.15Å; I136-I255 HydrophobicContact CG1-CG2 4.15Å; L139-I255 HydrophobicContact CB-CD1 4.32Å; L139-I255 HydrophobicContact CD1-CD1 3.66Å; K251-I255 WeakPolarHBondContact O-CG1 3.21Å; K251-I255 PolarHBondContact O-N 3.43Å; V252-I255 PolarHBondContact O-N 3.11Å; I255-G257 VanDerWaalsContact C-N 3.34Å
256L91.4Very high88.1Confident9 Ų950.4 Ų50.45%0.04728%0.277CS..Hα-helixtrans-70.6-31-179.8-67.5175.2000112.3L115 L132 V252 R253 N258 S259 I261 F263L115-L256 HydrophobicContact CD2-CD1 4.34Å; L132-L256 HydrophobicContact CD1-CD2 4.07Å; V252-L256 HydrophobicContact CG1-CD1 3.95Å; V252-L256 HydrophobicContact CG1-CG 4.35Å; V252-L256 VanDerWaalsContact O-CG 3.31Å; V252-L256 WeakPolarHBondContact O-CG 3.49Å; V252-L256 PolarHBondContact O-N 2.8Å; R253-L256 PolarHBondContact O-N 3.09Å; L256-N258 PolarHBondContact O-N 3.32Å; L256-S259 WeakPolarHBondContact O-CB 3.36Å; L256-S259 PolarHBondContact O-N 3.37Å; L256-S259 PolarHBondContact O-OG 3.22Å; L256-I261 HydrophobicContact CD2-CB 4.23Å; L256-I261 HydrophobicContact CD2-CG2 3.95Å; L256-F263 HydrophobicContact CD1-CB 3.9Å; L256-F263 HydrophobicContact CD1-CD1 3.27Å; L256-F263 HydrophobicContact CD1-CE1 4.04Å; L256-F263 HydrophobicContact CD1-CG 3.85Å
257G87Confident88.2Confident52 Ų5244.5 Ų44.554%0.53625%0.252SS..THydrogen-bonded Turntrans47-127174.700000113.1R253 A254 I255 S259R253-G257 PolarHBondContact O-N 3.13Å; A254-G257 PolarHBondContact O-N 3.04Å; I255-G257 VanDerWaalsContact C-N 3.34Å; G257-S259 VanDerWaalsContact C-N 3.31Å; G257-S259 PolarHBondContact O-N 3.06Å
258N83.3Confident87.9Confident174 Ų17445.9 Ų45.993%0.9326%0.258SS*.THydrogen-bonded Turntrans-91.321.3177.3-68.1-16.6000113.5L256L256-N258 PolarHBondContact O-N 3.32Å
259S85.9Confident87.5Confident25 Ų2549 Ų4918%0.17527%0.273CS..SBendtrans-66.6156.417570.50000111L256 G257 I261L256-S259 WeakPolarHBondContact O-CB 3.36Å; L256-S259 PolarHBondContact O-N 3.37Å; L256-S259 PolarHBondContact O-OG 3.22Å; G257-S259 VanDerWaalsContact C-N 3.31Å; G257-S259 PolarHBondContact O-N 3.06Å; S259-I261 PolarHBondContact O-N 3.4Å; S259-I261 PolarHBondContact OG-N 2.86Å
260N84.4Confident87.1Confident125 Ų12547.9 Ų47.967%0.66827%0.268SS*.SBendtrans-7515.6172.9-70.4-23.7000112.9H118H118-N260 WeakPolarHBondContact CB-O 3.47Å; H118-N260 PolarHBondContact N-O 3.24Å
261I88.8Confident86.8Confident14 Ų1444.2 Ų44.27%0.07225%0.249CC..EExtended strand (participates in β ladder)trans-108129.2-177.2-62.8161.1000107.7L115 K116 I124 L129 L132 L256 S259L115-I261 HydrophobicContact CB-CG2 4.09Å; L115-I261 HydrophobicContact CD2-CG2 4.49Å; K116-I261 WeakPolarHBondContact O-CA 3.43Å; I124-I261 HydrophobicContact CG2-CG1 4.28Å; L129-I261 HydrophobicContact CB-CD1 4.25Å; L129-I261 HydrophobicContact CD1-CD1 3.78Å; L132-I261 HydrophobicContact CD1-CD1 3.72Å; L256-I261 HydrophobicContact CD2-CB 4.23Å; L256-I261 HydrophobicContact CD2-CG2 3.95Å; S259-I261 PolarHBondContact O-N 3.4Å; S259-I261 PolarHBondContact OG-N 2.86Å
262T88.2Confident86.5Confident45 Ų4543.6 Ų43.628%0.27625%0.247SC..EExtended strand (participates in β ladder)trans-109.7163170.260.20000108.7K116 H118K116-T262 VanDerWaalsContact CG-OG1 3.23Å; K116-T262 WeakPolarHBondContact CG-OG1 3.39Å; K116-T262 PolarHBondContact N-O 2.67Å; K116-T262 PolarHBondContact O-N 2.93Å; K116-T262 VanDerWaalsContact O-O 3.12Å; K116-T262 PolarHBondContact O-OG1 2.99Å; H118-T262 HydrophobicContact CB-CG2 4.19Å
263F89.3Confident86Confident35 Ų3546.5 Ų46.515%0.15426%0.26CS..EExtended strand (participates in β ladder)trans-134.6156.7177.575.4-72.7000111.4I113 L114 L115 E249 V252 R253 L256 T265I113-F263 HydrophobicContact CG2-CD2 4.29Å; L114-F263 CarbonylContact O-C 3.58Å; L114-F263 WeakPolarHBondContact O-CA 3.45Å; L115-F263 HydrophobicContact CD2-CB 3.66Å; E249-F263 HydrophobicContact CB-CE2 4.26Å; E249-F263 HydrophobicContact CB-CZ 4.31Å; E249-F263 HydrophobicContact CG-CE2 4.11Å; E249-F263 VanDerWaalsContact O-CZ 3.32Å; E249-F263 WeakPolarHBondContact O-CZ 3.47Å; V252-F263 HydrophobicContact CB-CD2 4.5Å; V252-F263 HydrophobicContact CB-CE2 4.09Å; V252-F263 HydrophobicContact CB-CZ 4.12Å; V252-F263 HydrophobicContact CG1-CD1 3.96Å; V252-F263 HydrophobicContact CG1-CD2 3.71Å; V252-F263 HydrophobicContact CG1-CE1 3.99Å; V252-F263 HydrophobicContact CG1-CE2 3.75Å; V252-F263 HydrophobicContact CG1-CG 3.8Å; V252-F263 HydrophobicContact CG1-CZ 3.9Å; R253-F263 HydrophobicContact CB-CE1 3.88Å; R253-F263 HydrophobicContact CB-CZ 4.12Å; R253-F263 HydrophobicContact CG-CE1 4.32Å; L256-F263 HydrophobicContact CD1-CB 3.9Å; L256-F263 HydrophobicContact CD1-CD1 3.27Å; L256-F263 HydrophobicContact CD1-CE1 4.04Å; L256-F263 HydrophobicContact CD1-CG 3.85Å; F263-T265 HydrophobicContact CD2-CG2 4.24Å; F263-T265 HydrophobicContact CE2-CG2 4.13Å
264A86.9Confident85.7Confident9 Ų940.8 Ų40.87%0.07424%0.239CC..EExtended strand (participates in β ladder)trans-134142.2167.900000109L114 F590L114-A264 PolarHBondContact N-O 2.67Å; L114-A264 PolarHBondContact O-N 3.44Å; A264-F590 HydrophobicContact CB-CB 3.92Å; A264-F590 HydrophobicContact CB-CD2 4.26Å
265T86.9Confident85.5Confident12 Ų1237.4 Ų37.47%0.07421%0.21CC..EExtended strand (participates in β ladder)trans-100.6147.6176.1460000109.4L111 F112 I113 E249 F263 L587L111-T265 HydrophobicContact CD1-CG2 4.25Å; F112-T265 CarbonylContact O-C 3.51Å; F112-T265 VanDerWaalsContact O-CA 3.28Å; F112-T265 WeakPolarHBondContact O-CA 3.3Å; I113-T265 HydrophobicContact CG1-CG2 4.46Å; E249-T265 HydrophobicContact CG-CG2 3.63Å; E249-T265 WeakPolarHBondContact OE1-CB 3.19Å; E249-T265 PolarHBondContact OE1-OG1 3.03Å; F263-T265 HydrophobicContact CD2-CG2 4.24Å; F263-T265 HydrophobicContact CE2-CG2 4.13Å; T265-L587 WeakPolarHBondContact O-CD2 3.44Å
266Y85.3Confident85.2Confident5 Ų537 Ų372%0.0221%0.21CC..EExtended strand (participates in β ladder)trans-139136.8173.9168.4-94.1000110.6L111 F112 D268 V271 F590 F591L111-Y266 CarbonylContact C-O 3.54Å; L111-Y266 WeakPolarHBondContact CA-O 3.42Å; F112-Y266 HydrophobicContact CB-CD1 4.28Å; F112-Y266 AromaticContact CD2-CD1 3.7Å; F112-Y266 HydrophobicContact CD2-CD1 3.7Å; F112-Y266 HydrophobicContact CD2-CE1 4.19Å; F112-Y266 HydrophobicContact CE2-CD1 4.47Å; F112-Y266 HydrophobicContact CG-CD1 4.32Å; F112-Y266 PolarHBondContact N-O 3.04Å; F112-Y266 PolarHBondContact O-N 3.29Å; Y266-D268 PolarHBondContact OH-OD1 3.39Å; Y266-V271 HydrophobicContact CD2-CG2 4.02Å; Y266-V271 HydrophobicContact CE2-CG2 3.63Å; Y266-F590 HydrophobicContact CD1-CE1 4.2Å; Y266-F590 AromaticContact CD1-CZ 4Å; Y266-F590 HydrophobicContact CD1-CZ 4Å; Y266-F590 AromaticContact CD2-CD1 3.54Å; Y266-F590 HydrophobicContact CD2-CD1 3.54Å; Y266-F590 AromaticContact CD2-CE1 3.23Å; Y266-F590 HydrophobicContact CD2-CE1 3.23Å; Y266-F590 HydrophobicContact CD2-CG 4.36Å; Y266-F590 AromaticContact CD2-CZ 3.84Å; Y266-F590 HydrophobicContact CD2-CZ 3.84Å; Y266-F590 HydrophobicContact CE2-CD1 4.41Å; Y266-F590 AromaticContact CE2-CE1 3.9Å; Y266-F590 HydrophobicContact CE2-CE1 3.9Å; Y266-F590 AromaticContact CG-CD1 3.92Å; Y266-F590 HydrophobicContact CG-CD1 3.92Å; Y266-F590 HydrophobicContact CG-CD2 4.48Å; Y266-F590 AromaticContact CG-CE1 3.4Å; Y266-F590 HydrophobicContact CG-CE1 3.4Å; Y266-F590 HydrophobicContact CG-CE2 4.02Å; Y266-F590 HydrophobicContact CG-CG 4.43Å; Y266-F590 AromaticContact CG-CZ 3.46Å; Y266-F590 HydrophobicContact CG-CZ 3.46Å; Y266-F590 VanDerWaalsContact CG-CZ 3.46Å; Y266-F591 HydrophobicContact CD2-CZ 4.27Å; Y266-F591 HydrophobicContact CE2-CE1 4.27Å; Y266-F591 AromaticContact CE2-CZ 3.9Å; Y266-F591 HydrophobicContact CE2-CZ 3.9Å
267S84.1Confident85Confident2 Ų239.3 Ų39.31%0.01422%0.218CC..  trans-150.3138.6169.5-178.80000107.4S110 E269 I270 V271S110-S267 WeakPolarHBondContact O-CB 3.3Å; S110-S267 PolarHBondContact O-OG 3.35Å; S267-E269 PolarHBondContact O-N 2.98Å; S267-E269 VanDerWaalsContact O-N 3.12Å; S267-E269 PolarHBondContact OG-N 2.86Å; S267-I270 PolarHBondContact O-N 3.22Å; S267-I270 VanDerWaalsContact O-N 3.09Å; S267-V271 WeakPolarHBondContact O-CG2 3.43Å; S267-V271 PolarHBondContact O-N 3.41Å
268D79.6Confident85.1Confident62 Ų6237.2 Ų37.233%0.33219%0.194SC..Hα-helixtrans-51.3-34.6171-77.2-30.3000111K58 Y266 V271 N272K58-D268 VanDerWaalsContact CE-OD1 3.26Å; K58-D268 WeakPolarHBondContact CE-OD1 3.4Å; K58-D268 IonicContact NZ-OD1 3.03Å; K58-D268 PolarHBondContact NZ-OD1 3.24Å; K58-D268 IonicContact NZ-OD2 3.26Å; K58-D268 PolarHBondContact NZ-OD2 3.39Å; Y266-D268 PolarHBondContact OH-OD1 3.39Å; D268-V271 PolarHBondContact O-N 3.47Å; D268-N272 WeakPolarHBondContact O-CB 3.4Å; D268-N272 PolarHBondContact O-N 2.87Å; D268-N272 PolarHBondContact O-ND2 3.01Å
269E78.9Confident85.5Confident66 Ų6629.1 Ų29.131%0.30815%0.152SC..Hα-helixtrans-71.3-40.2-178-158.347.3-129.800111.9F238 F241 S267 F273F238-E269 HydrophobicContact CD2-CG 3.42Å; F238-E269 VanDerWaalsContact CD2-CG 3.42Å; F238-E269 WeakPolarHBondContact CD2-OE1 3.28Å; F238-E269 HydrophobicContact CE2-CB 4.44Å; F238-E269 HydrophobicContact CE2-CG 3.55Å; F238-E269 WeakPolarHBondContact CE2-OE1 3.44Å; F241-E269 HydrophobicContact CD1-CB 4.23Å; F241-E269 HydrophobicContact CD1-CG 4.09Å; F241-E269 HydrophobicContact CE1-CB 4.2Å; S267-E269 PolarHBondContact O-N 2.98Å; S267-E269 VanDerWaalsContact O-N 3.12Å; S267-E269 PolarHBondContact OG-N 2.86Å; E269-F273 WeakPolarHBondContact O-CB 3.47Å; E269-F273 PolarHBondContact O-N 3.25Å; E269-F273 VanDerWaalsContact O-N 3.08Å
270I81.6Confident85.7Confident13 Ų1332.6 Ų32.67%0.06717%0.172CC..Hα-helixtrans-66-42.3172.9-57163000109.9I245 S267 F273 E274 L587I245-I270 HydrophobicContact CD1-CD1 3.68Å; I245-I270 HydrophobicContact CD1-CG1 3.68Å; I245-I270 HydrophobicContact CG1-CD1 4.49Å; I245-I270 HydrophobicContact CG2-CD1 3.89Å; S267-I270 PolarHBondContact O-N 3.22Å; S267-I270 VanDerWaalsContact O-N 3.09Å; I270-F273 PolarHBondContact O-N 3.4Å; I270-E274 HydrophobicContact CG2-CG 4.12Å; I270-E274 WeakPolarHBondContact O-CB 3.42Å; I270-E274 VanDerWaalsContact O-CG 3.22Å; I270-E274 WeakPolarHBondContact O-CG 3.39Å; I270-E274 PolarHBondContact O-N 3.41Å; I270-L587 HydrophobicContact CB-CD1 4.44Å; I270-L587 HydrophobicContact CG2-CD1 3.86Å; I270-L587 HydrophobicContact CG2-CD2 4.09Å; I270-L587 HydrophobicContact CG2-CG 4.05Å
271V83.5Confident86Confident2 Ų229.3 Ų29.31%0.01215%0.154CC..Hα-helixtrans-59-51.5178.3172.30000110.5L57 Y266 S267 D268 F273 E274 V275 L577 L587 F591L57-V271 HydrophobicContact CD1-CG1 3.74Å; Y266-V271 HydrophobicContact CD2-CG2 4.02Å; Y266-V271 HydrophobicContact CE2-CG2 3.63Å; S267-V271 WeakPolarHBondContact O-CG2 3.43Å; S267-V271 PolarHBondContact O-N 3.41Å; D268-V271 PolarHBondContact O-N 3.47Å; V271-F273 VanDerWaalsContact C-N 3.26Å; V271-F273 PolarHBondContact O-N 2.88Å; V271-E274 PolarHBondContact O-N 2.95Å; V271-V275 WeakPolarHBondContact O-CG2 3.3Å; V271-V275 PolarHBondContact O-N 3.01Å; V271-L577 HydrophobicContact CG1-CD2 3.74Å; V271-L587 HydrophobicContact CB-CD1 4.28Å; V271-L587 HydrophobicContact CG2-CD1 3.68Å; V271-F591 HydrophobicContact CG2-CE2 4.19Å; V271-F591 HydrophobicContact CG2-CZ 3.92Å
272N83.1Confident86.3Confident31 Ų3128.7 Ų28.717%0.16615%0.151CC..Hα-helixtrans-59.1-40179.6-69.1-19.7000111.3D55 L57 D268 V275 S276D55-N272 PolarHBondContact O-OD1 3.32Å; L57-N272 PolarHBondContact N-OD1 3.03Å; D268-N272 WeakPolarHBondContact O-CB 3.4Å; D268-N272 PolarHBondContact O-N 2.87Å; D268-N272 PolarHBondContact O-ND2 3.01Å; N272-V275 PolarHBondContact O-N 3.39Å; N272-S276 PolarHBondContact O-N 3.35Å
273F82.6Confident86.5Confident60 Ų6030.7 Ų30.726%0.26316%0.159SC..Hα-helixtrans-65.4-44.9174.8174.3-100.4000113.6F238 Q242 E269 I270 V271 V275 S276 R277F238-F273 HydrophobicContact CD1-CD2 4.46Å; F238-F273 HydrophobicContact CE1-CB 4.12Å; F238-F273 AromaticContact CE1-CD2 3.28Å; F238-F273 HydrophobicContact CE1-CD2 3.28Å; F238-F273 AromaticContact CE1-CE2 3.78Å; F238-F273 HydrophobicContact CE1-CE2 3.78Å; F238-F273 AromaticContact CE1-CG 3.82Å; F238-F273 HydrophobicContact CE1-CG 3.82Å; F238-F273 HydrophobicContact CE2-CB 3.89Å; F238-F273 HydrophobicContact CE2-CG 4.43Å; F238-F273 HydrophobicContact CZ-CB 3.27Å; F238-F273 HydrophobicContact CZ-CD1 4.27Å; F238-F273 AromaticContact CZ-CD2 3.37Å; F238-F273 HydrophobicContact CZ-CD2 3.37Å; F238-F273 HydrophobicContact CZ-CE2 4.22Å; F238-F273 AromaticContact CZ-CG 3.38Å; F238-F273 HydrophobicContact CZ-CG 3.38Å; Q242-F273 VanDerWaalsContact NE2-CE1 3.32Å; E269-F273 WeakPolarHBondContact O-CB 3.47Å; E269-F273 PolarHBondContact O-N 3.25Å; E269-F273 VanDerWaalsContact O-N 3.08Å; I270-F273 PolarHBondContact O-N 3.4Å; V271-F273 VanDerWaalsContact C-N 3.26Å; V271-F273 PolarHBondContact O-N 2.88Å; F273-V275 PolarHBondContact O-N 3.06Å; F273-S276 WeakPolarHBondContact CA-OG 3.2Å; F273-S276 CarbonylContact O-C 3.58Å; F273-S276 WeakPolarHBondContact O-CA 3.11Å; F273-S276 WeakPolarHBondContact O-CB 3.32Å; F273-S276 PolarHBondContact O-N 3.23Å; F273-S276 VanDerWaalsContact O-N 3.08Å; F273-S276 PolarHBondContact O-OG 3.07Å; F273-R277 PolarHBondContact O-N 3.17Å
274E84.8Confident86.7Confident10 Ų1032.6 Ų32.65%0.04718%0.175CC..Hα-helixtrans-63.1-32.2177.9-69.9-73.9145.600111.5I270 V271 R277 L581 V582 S585 L587I270-E274 HydrophobicContact CG2-CG 4.12Å; I270-E274 WeakPolarHBondContact O-CB 3.42Å; I270-E274 VanDerWaalsContact O-CG 3.22Å; I270-E274 WeakPolarHBondContact O-CG 3.39Å; I270-E274 PolarHBondContact O-N 3.41Å; V271-E274 PolarHBondContact O-N 2.95Å; E274-R277 WeakPolarHBondContact O-CB 3.37Å; E274-R277 PolarHBondContact O-N 3.32Å; E274-R277 IonicContact OE1-CZ 3.04Å; E274-R277 IonicContact OE1-NH1 3.85Å; E274-R277 PolarHBondContact OE1-NH1 3.04Å; E274-R277 IonicContact OE1-NH2 2.82Å; E274-R277 IonicContact OE2-CZ 3.52Å; E274-R277 IonicContact OE2-NE 3.26Å; E274-R277 IonicContact OE2-NH1 3.05Å; E274-R277 PolarHBondContact OE2-NH1 3.33Å; E274-R277 VanDerWaalsContact OE2-NH1 3.15Å; E274-R277 IonicContact OE2-NH2 3.25Å; E274-R277 PolarHBondContact OE2-NH2 3Å; E274-L581 HydrophobicContact CB-CD2 3.69Å; E274-V582 VanDerWaalsContact OE2-CG2 3.24Å; E274-V582 WeakPolarHBondContact OE2-CG2 3.48Å; E274-S585 WeakPolarHBondContact CG-OG 3.35Å; E274-S585 WeakPolarHBondContact OE2-CB 3.27Å; E274-S585 PolarHBondContact OE2-OG 3.5Å; E274-L587 HydrophobicContact CB-CD1 4.33Å; E274-L587 HydrophobicContact CG-CD1 3.89Å
275V86.9Confident87.1Confident4 Ų435 Ų352%0.02418%0.183CC..Hα-helixtrans-66.6-48.6169174.10000111D55 L57 V271 N272 F273 R277 N278 S341 L580 L581D55-V275 HydrophobicContact CB-CG1 4.42Å; L57-V275 HydrophobicContact CD1-CG2 3.99Å; V271-V275 WeakPolarHBondContact O-CG2 3.3Å; V271-V275 PolarHBondContact O-N 3.01Å; N272-V275 PolarHBondContact O-N 3.39Å; F273-V275 PolarHBondContact O-N 3.06Å; V275-R277 PolarHBondContact O-N 2.97Å; V275-N278 WeakPolarHBondContact O-CB 3.26Å; V275-N278 PolarHBondContact O-N 3.11Å; V275-N278 PolarHBondContact O-ND2 2.97Å; V275-S341 PolarHBondContact O-OG 3.35Å; V275-S341 VanDerWaalsContact O-OG 3.12Å; V275-L580 HydrophobicContact CG2-CB 4.13Å; V275-L581 HydrophobicContact CG2-CD2 4.45Å
276S85.8Confident87.5Confident21 Ų2136.3 Ų36.315%0.14719%0.189CC..Hα-helixtrans-57.7-30.317783.70000112.6D55 N272 F273 N278 A279 V280 S341D55-S276 WeakPolarHBondContact OD2-CB 3.11Å; N272-S276 PolarHBondContact O-N 3.35Å; F273-S276 WeakPolarHBondContact CA-OG 3.2Å; F273-S276 CarbonylContact O-C 3.58Å; F273-S276 WeakPolarHBondContact O-CA 3.11Å; F273-S276 WeakPolarHBondContact O-CB 3.32Å; F273-S276 PolarHBondContact O-N 3.23Å; F273-S276 VanDerWaalsContact O-N 3.08Å; F273-S276 PolarHBondContact O-OG 3.07Å; S276-N278 PolarHBondContact O-N 2.89Å; S276-A279 WeakPolarHBondContact O-CB 3.31Å; S276-A279 PolarHBondContact O-N 3.42Å; S276-V280 PolarHBondContact O-N 3.29Å; S276-S341 WeakPolarHBondContact CA-OG 3.3Å
277R88.6Confident87.9Confident59 Ų5938.8 Ų38.822%0.22321%0.211CC..Hα-helixtrans-64.9-24.5177.2-160.7166.582.5-149.1-1.8112.4F273 E274 V275 A279 V280 L281 V582F273-R277 PolarHBondContact O-N 3.17Å; E274-R277 WeakPolarHBondContact O-CB 3.37Å; E274-R277 PolarHBondContact O-N 3.32Å; E274-R277 IonicContact OE1-CZ 3.04Å; E274-R277 IonicContact OE1-NH1 3.85Å; E274-R277 PolarHBondContact OE1-NH1 3.04Å; E274-R277 IonicContact OE1-NH2 2.82Å; E274-R277 IonicContact OE2-CZ 3.52Å; E274-R277 IonicContact OE2-NE 3.26Å; E274-R277 IonicContact OE2-NH1 3.05Å; E274-R277 PolarHBondContact OE2-NH1 3.33Å; E274-R277 VanDerWaalsContact OE2-NH1 3.15Å; E274-R277 IonicContact OE2-NH2 3.25Å; E274-R277 PolarHBondContact OE2-NH2 3Å; V275-R277 PolarHBondContact O-N 2.97Å; R277-A279 VanDerWaalsContact C-N 3.25Å; R277-A279 PolarHBondContact O-N 3.33Å; R277-V280 PolarHBondContact O-N 3.25Å; R277-L281 HydrophobicContact CG-CD1 4.08Å; R277-L281 HydrophobicContact CG-CG 4.09Å; R277-L281 WeakPolarHBondContact O-CB 3.47Å; R277-L281 VanDerWaalsContact O-CG 3.29Å; R277-L281 WeakPolarHBondContact O-CG 3.44Å; R277-L281 PolarHBondContact O-N 3.31Å; R277-V582 HydrophobicContact CB-CG1 4.42Å; R277-V582 VanDerWaalsContact CZ-CG2 3.48Å
278N89Confident88.3Confident7 Ų744.8 Ų44.84%0.03724%0.237CC..Hα-helixtrans-57.1-42.7170.4-70.3-56.6000111.1V275 S276 T282 L580 V582 S868V275-N278 WeakPolarHBondContact O-CB 3.26Å; V275-N278 PolarHBondContact O-N 3.11Å; V275-N278 PolarHBondContact O-ND2 2.97Å; S276-N278 PolarHBondContact O-N 2.89Å; N278-T282 WeakPolarHBondContact O-CB 2.96Å; N278-T282 PolarHBondContact O-N 2.83Å; N278-T282 PolarHBondContact O-OG1 3.47Å; N278-L580 PolarHBondContact ND2-O 3.11Å; N278-V582 WeakPolarHBondContact OD1-CG1 3.15Å; N278-S868 VanDerWaalsContact OD1-CB 3.24Å; N278-S868 WeakPolarHBondContact OD1-CB 3.05Å; N278-S868 PolarHBondContact OD1-OG 3.47Å
279A90.9Very high89Confident4 Ų441.8 Ų41.83%0.03322%0.221CC..Hα-helixtrans-64.6-49178.800000110.9S276 R277 L281 T282 L283 F339 T344S276-A279 WeakPolarHBondContact O-CB 3.31Å; S276-A279 PolarHBondContact O-N 3.42Å; R277-A279 VanDerWaalsContact C-N 3.25Å; R277-A279 PolarHBondContact O-N 3.33Å; A279-L281 VanDerWaalsContact C-N 3.32Å; A279-L281 PolarHBondContact O-N 2.86Å; A279-T282 PolarHBondContact O-N 3.23Å; A279-T282 VanDerWaalsContact O-N 3.17Å; A279-L283 WeakPolarHBondContact O-CB 3.36Å; A279-L283 VanDerWaalsContact O-CG 3.3Å; A279-L283 WeakPolarHBondContact O-CG 3.44Å; A279-L283 PolarHBondContact O-N 3.17Å; A279-F339 HydrophobicContact CB-CE1 4.15Å; A279-F339 HydrophobicContact CB-CZ 4.47Å; A279-T344 WeakPolarHBondContact CA-OG1 3.19Å; A279-T344 HydrophobicContact CB-CG2 4.38Å; A279-T344 VanDerWaalsContact CB-OG1 3.23Å; A279-T344 WeakPolarHBondContact CB-OG1 3.19Å
280V90.3Very high89.7Confident98 Ų9839.8 Ų39.859%0.59421%0.214SC*.Hα-helixtrans-60.5-39.8-179.9178.80000112.1S276 R277 P284S276-V280 PolarHBondContact O-N 3.29Å; R277-V280 PolarHBondContact O-N 3.25Å; V280-P284 WeakPolarHBondContact O-CD 3.5Å
281L91.9Very high90.3Very high56 Ų5644.4 Ų44.429%0.29324%0.237SC..Hα-helixtrans-74.9-30.1178.1-69174.8000112.8R277 A279 Y285 V582 V866 P867R277-L281 HydrophobicContact CG-CD1 4.08Å; R277-L281 HydrophobicContact CG-CG 4.09Å; R277-L281 WeakPolarHBondContact O-CB 3.47Å; R277-L281 VanDerWaalsContact O-CG 3.29Å; R277-L281 WeakPolarHBondContact O-CG 3.44Å; R277-L281 PolarHBondContact O-N 3.31Å; A279-L281 VanDerWaalsContact C-N 3.32Å; A279-L281 PolarHBondContact O-N 2.86Å; L281-Y285 WeakPolarHBondContact O-CD2 3.39Å; L281-Y285 VanDerWaalsContact O-CE2 3.23Å; L281-Y285 WeakPolarHBondContact O-CE2 3.45Å; L281-V582 HydrophobicContact CD1-CB 4.24Å; L281-V582 HydrophobicContact CD1-CG1 3.66Å; L281-V866 HydrophobicContact CB-CG1 4.44Å; L281-P867 HydrophobicContact CD1-CG 4.26Å
282T93.9Very high90.7Very high1 Ų145.8 Ų45.81%0.00625%0.249CC..Hα-helixtrans-83.7-38.2-176.3-56.30000112.3N278 A279 Y285 T344 F348 L863 V871N278-T282 WeakPolarHBondContact O-CB 2.96Å; N278-T282 PolarHBondContact O-N 2.83Å; N278-T282 PolarHBondContact O-OG1 3.47Å; A279-T282 PolarHBondContact O-N 3.23Å; A279-T282 VanDerWaalsContact O-N 3.17Å; T282-Y285 WeakPolarHBondContact O-CA 3.12Å; T282-Y285 WeakPolarHBondContact O-CB 3.3Å; T282-Y285 PolarHBondContact O-N 2.89Å; T282-T344 HydrophobicContact CG2-CG2 3.91Å; T282-F348 HydrophobicContact CG2-CE2 3.92Å; T282-F348 HydrophobicContact CG2-CZ 4.17Å; T282-L863 HydrophobicContact CG2-CD2 3.63Å; T282-V871 HydrophobicContact CG2-CG1 4.13Å; T282-V871 WeakPolarHBondContact OG1-CG2 3.48Å
283L91.7Very high91.1Very high88 Ų8844.3 Ų44.346%0.46124%0.241SC..Hα-helixtrans-54.4-43.1-175.6-78.9170.8000114.5A279 Y285 L286 T344A279-L283 WeakPolarHBondContact O-CB 3.36Å; A279-L283 VanDerWaalsContact O-CG 3.3Å; A279-L283 WeakPolarHBondContact O-CG 3.44Å; A279-L283 PolarHBondContact O-N 3.17Å; L283-Y285 PolarHBondContact O-N 3.26Å; L283-Y285 VanDerWaalsContact O-N 3.17Å; L283-L286 WeakPolarHBondContact O-CB 3.45Å; L283-L286 PolarHBondContact O-N 2.96Å; L283-T344 HydrophobicContact CD2-CG2 3.86Å; L283-T344 HydrophobicContact CG-CG2 3.78Å
284P94.2Very high91.4Very high75 Ų7544.4 Ų44.449%0.48724%0.244SC..Hα-helixtrans-58.6-28.2175.5-26.135.3000113.6V280 L286 A287V280-P284 WeakPolarHBondContact O-CD 3.5Å; P284-L286 PolarHBondContact O-N 2.99Å; P284-A287 WeakPolarHBondContact O-CB 3.29Å; P284-A287 PolarHBondContact O-N 3.41Å
285Y95.1Very high91.6Very high59 Ų5946.1 Ų46.123%0.23126%0.26CS..Hα-helixtrans-70.8-16.4178.2-69-104.7000113.5L281 T282 L283 A287 F288 S289 P862 F865 V866L281-Y285 WeakPolarHBondContact O-CD2 3.39Å; L281-Y285 VanDerWaalsContact O-CE2 3.23Å; L281-Y285 WeakPolarHBondContact O-CE2 3.45Å; T282-Y285 WeakPolarHBondContact O-CA 3.12Å; T282-Y285 WeakPolarHBondContact O-CB 3.3Å; T282-Y285 PolarHBondContact O-N 2.89Å; L283-Y285 PolarHBondContact O-N 3.26Å; L283-Y285 VanDerWaalsContact O-N 3.17Å; Y285-A287 PolarHBondContact O-N 3.43Å; Y285-F288 HydrophobicContact CD1-CD2 4.25Å; Y285-F288 HydrophobicContact CG-CD2 4.48Å; Y285-F288 PolarHBondContact O-N 2.96Å; Y285-S289 PolarHBondContact O-N 3.42Å; Y285-P862 HydrophobicContact CD1-CB 3.88Å; Y285-P862 VanDerWaalsContact CD1-O 3.22Å; Y285-P862 WeakPolarHBondContact CD1-O 3.24Å; Y285-P862 HydrophobicContact CG-CB 4.43Å; Y285-F865 HydrophobicContact CE1-CB 4.1Å; Y285-F865 PolarHBondContact OH-O 3.29Å; Y285-V866 HydrophobicContact CD1-CG2 4.03Å; Y285-V866 HydrophobicContact CD2-CG2 3.68Å; Y285-V866 HydrophobicContact CE1-CG2 4.12Å; Y285-V866 HydrophobicContact CE2-CG2 3.79Å; Y285-V866 HydrophobicContact CG-CG2 3.79Å
286L94.7Very high91.6Very high40 Ų4047.3 Ų47.321%0.20927%0.265CS..Hα-helixtrans-62.5-35.9172-173.461.7000110.9L283 P284 F288 S289 C290 P347 F348 L351L283-L286 WeakPolarHBondContact O-CB 3.45Å; L283-L286 PolarHBondContact O-N 2.96Å; P284-L286 PolarHBondContact O-N 2.99Å; L286-F288 PolarHBondContact O-N 2.96Å; L286-S289 WeakPolarHBondContact O-CB 3.35Å; L286-S289 PolarHBondContact O-N 2.99Å; L286-C290 WeakPolarHBondContact O-CB 3.33Å; L286-C290 PolarHBondContact O-N 3.08Å; L286-C290 PolarHBondContact O-SG 3.06Å; L286-P347 HydrophobicContact CD1-CB 4Å; L286-P347 HydrophobicContact CD2-CB 4.04Å; L286-F348 VanDerWaalsContact CA-CZ 3.49Å; L286-F348 HydrophobicContact CB-CE1 4.22Å; L286-F348 HydrophobicContact CB-CE2 4.23Å; L286-F348 HydrophobicContact CB-CZ 3.75Å; L286-F348 HydrophobicContact CD1-CD1 4.19Å; L286-F348 HydrophobicContact CD1-CD2 4.26Å; L286-F348 HydrophobicContact CD1-CE1 4.13Å; L286-F348 HydrophobicContact CD1-CE2 4.17Å; L286-F348 HydrophobicContact CD1-CG 4.27Å; L286-F348 HydrophobicContact CD1-CZ 4.12Å; L286-F348 VanDerWaalsContact N-CZ 3.3Å; L286-L351 HydrophobicContact CD1-CD1 3.66Å
287A93.9Very high91.3Very high57 Ų5746.6 Ų46.647%0.47126%0.26SS..Hα-helixtrans-63.2-41.8175.700000111.7P284 Y285 C290 I291P284-A287 WeakPolarHBondContact O-CB 3.29Å; P284-A287 PolarHBondContact O-N 3.41Å; Y285-A287 PolarHBondContact O-N 3.43Å; A287-C290 PolarHBondContact O-N 2.99Å; A287-I291 WeakPolarHBondContact O-CD1 3.3Å; A287-I291 VanDerWaalsContact O-CG1 3.24Å; A287-I291 WeakPolarHBondContact O-CG1 3.4Å; A287-I291 PolarHBondContact O-N 3.44Å
288F94.1Very high90.9Very high127 Ų12746.3 Ų46.356%0.55727%0.27SS*.Hα-helixtrans-64.3-40.7174.9-66.9-65.1000112Y285 L286 I291 A292 P862Y285-F288 HydrophobicContact CD1-CD2 4.25Å; Y285-F288 HydrophobicContact CG-CD2 4.48Å; Y285-F288 PolarHBondContact O-N 2.96Å; L286-F288 PolarHBondContact O-N 2.96Å; F288-I291 PolarHBondContact O-N 2.8Å; F288-A292 WeakPolarHBondContact O-CB 3.45Å; F288-A292 PolarHBondContact O-N 3.03Å; F288-P862 HydrophobicContact CB-CB 4.19Å; F288-P862 HydrophobicContact CB-CG 4.04Å
289S93.5Very high90.4Very high0 Ų051.6 Ų51.60%030%0.298CS..Hα-helixtrans-59.6-48.9174.3-179.90000111.4Y285 L286 I291 A292 L293 A859Y285-S289 PolarHBondContact O-N 3.42Å; L286-S289 WeakPolarHBondContact O-CB 3.35Å; L286-S289 PolarHBondContact O-N 2.99Å; S289-I291 PolarHBondContact O-N 3.49Å; S289-A292 PolarHBondContact O-N 2.96Å; S289-L293 WeakPolarHBondContact O-CB 3.44Å; S289-L293 WeakPolarHBondContact O-CG 3.43Å; S289-L293 PolarHBondContact O-N 2.84Å; S289-A859 VanDerWaalsContact CB-O 3.3Å; S289-A859 WeakPolarHBondContact CB-O 3.46Å; S289-A859 WeakPolarHBondContact OG-CA 3.19Å; S289-A859 PolarHBondContact OG-O 3.33Å
290C93.9Very high89.4Confident24 Ų2452.7 Ų52.716%0.16231%0.305CS..Hα-helixtrans-57.2-46.2175.4-72.10000112.5L286 A287 L293 L294 F318L286-C290 WeakPolarHBondContact O-CB 3.33Å; L286-C290 PolarHBondContact O-N 3.08Å; L286-C290 PolarHBondContact O-SG 3.06Å; A287-C290 PolarHBondContact O-N 2.99Å; C290-L293 PolarHBondContact O-N 2.65Å; C290-L294 WeakPolarHBondContact O-CB 3.35Å; C290-L294 VanDerWaalsContact O-CG 3.24Å; C290-L294 WeakPolarHBondContact O-CG 3.47Å; C290-L294 PolarHBondContact O-N 3.38Å; C290-F318 HydrophobicContact CB-CE2 4.29Å; C290-F318 HydrophobicContact CB-CZ 3.75Å
291I93.4Very high88.2Confident109 Ų10948.5 Ų48.556%0.55928%0.28SS*.Hα-helixtrans-64-45.5178.5-68.1164.3000110.9A287 F288 S289 L294 A295A287-I291 WeakPolarHBondContact O-CD1 3.3Å; A287-I291 VanDerWaalsContact O-CG1 3.24Å; A287-I291 WeakPolarHBondContact O-CG1 3.4Å; A287-I291 PolarHBondContact O-N 3.44Å; F288-I291 PolarHBondContact O-N 2.8Å; S289-I291 PolarHBondContact O-N 3.49Å; I291-L294 PolarHBondContact O-N 3.43Å; I291-A295 VanDerWaalsContact O-CB 3.3Å; I291-A295 WeakPolarHBondContact O-CB 3.44Å; I291-A295 PolarHBondContact O-N 2.97Å
292A92.5Very high86.6Confident32 Ų3256 Ų5626%0.26430%0.304SS..Hα-helixtrans-62-44.3179.200000111.6F288 S289 A295 F296F288-A292 WeakPolarHBondContact O-CB 3.45Å; F288-A292 PolarHBondContact O-N 3.03Å; S289-A292 PolarHBondContact O-N 2.96Å; A292-A295 PolarHBondContact O-N 3.24Å; A292-F296 WeakPolarHBondContact O-CB 3.46Å; A292-F296 PolarHBondContact O-N 3.06Å
293L90.4Very high84.5Confident0 Ų058.7 Ų58.70%033%0.333CS..Hα-helixtrans-65.1-46.9176.5-75.6171000111.9S289 C290 A295 F296 C297 F318 L351 I355 A855 A859S289-L293 WeakPolarHBondContact O-CB 3.44Å; S289-L293 WeakPolarHBondContact O-CG 3.43Å; S289-L293 PolarHBondContact O-N 2.84Å; C290-L293 PolarHBondContact O-N 2.65Å; L293-A295 VanDerWaalsContact C-N 3.32Å; L293-A295 PolarHBondContact O-N 2.89Å; L293-F296 PolarHBondContact O-N 2.98Å; L293-C297 WeakPolarHBondContact O-CB 3.31Å; L293-C297 PolarHBondContact O-N 2.9Å; L293-C297 PolarHBondContact O-SG 3.47Å; L293-F318 HydrophobicContact CB-CD2 4.39Å; L293-F318 HydrophobicContact CB-CE2 4.21Å; L293-F318 HydrophobicContact CD1-CE2 4.47Å; L293-L351 HydrophobicContact CD1-CB 4.06Å; L293-L351 HydrophobicContact CD1-CD1 4.46Å; L293-I355 HydrophobicContact CB-CD1 4.24Å; L293-I355 HydrophobicContact CD1-CD1 3.73Å; L293-I355 HydrophobicContact CD2-CD1 4.02Å; L293-I355 HydrophobicContact CG-CD1 4.22Å; L293-A855 HydrophobicContact CD2-CB 4.19Å; L293-A855 WeakPolarHBondContact CD2-O 3.44Å; L293-A859 HydrophobicContact CD1-CB 3.8Å; L293-A859 HydrophobicContact CD2-CB 4.13Å; L293-A859 HydrophobicContact CG-CB 4.22Å
294L89.4Confident82.4Confident61 Ų6156 Ų5632%0.31932%0.321SS..Hα-helixtrans-60.3-41.8176.7-75.1170.3000111.9C290 I291 C297 A298 L315 F318C290-L294 WeakPolarHBondContact O-CB 3.35Å; C290-L294 VanDerWaalsContact O-CG 3.24Å; C290-L294 WeakPolarHBondContact O-CG 3.47Å; C290-L294 PolarHBondContact O-N 3.38Å; I291-L294 PolarHBondContact O-N 3.43Å; L294-C297 PolarHBondContact O-N 3.42Å; L294-A298 WeakPolarHBondContact O-CB 3.46Å; L294-A298 PolarHBondContact O-N 3.04Å; L294-L315 HydrophobicContact CD2-CD1 3.6Å; L294-F318 HydrophobicContact CD1-CE1 4Å; L294-F318 HydrophobicContact CD1-CZ 4.12Å; L294-F318 HydrophobicContact CD2-CB 4.5Å; L294-F318 HydrophobicContact CD2-CD1 3.68Å; L294-F318 HydrophobicContact CD2-CD2 4.32Å; L294-F318 HydrophobicContact CD2-CE1 3.89Å; L294-F318 HydrophobicContact CD2-CG 3.91Å; L294-F318 HydrophobicContact CD2-CZ 4.33Å; L294-F318 HydrophobicContact CG-CD1 4.23Å; L294-F318 HydrophobicContact CG-CD2 4.42Å; L294-F318 HydrophobicContact CG-CE1 3.97Å; L294-F318 HydrophobicContact CG-CE2 4.21Å; L294-F318 HydrophobicContact CG-CG 4.45Å; L294-F318 HydrophobicContact CG-CZ 3.97Å
295A88.6Confident79.7Confident47 Ų4764.3 Ų64.339%0.38834%0.343SS..Hα-helixtrans-63.3-45.4175.100000111.5I291 A292 L293 C297 A298 L299I291-A295 VanDerWaalsContact O-CB 3.3Å; I291-A295 WeakPolarHBondContact O-CB 3.44Å; I291-A295 PolarHBondContact O-N 2.97Å; A292-A295 PolarHBondContact O-N 3.24Å; L293-A295 VanDerWaalsContact C-N 3.32Å; L293-A295 PolarHBondContact O-N 2.89Å; A295-C297 PolarHBondContact O-N 3.39Å; A295-A298 PolarHBondContact O-N 3.37Å; A295-L299 WeakPolarHBondContact O-CB 3.45Å; A295-L299 VanDerWaalsContact O-CG 3.26Å; A295-L299 WeakPolarHBondContact O-CG 3.25Å; A295-L299 PolarHBondContact O-N 3.49Å
296F86.9Confident77.2Confident28 Ų2867.2 Ų67.212%0.12337%0.367CS..Hα-helixtrans-61.5-42.9175.5180-109.6000112.1A292 L293 A298 L299 S300 F359 Q851 V854 A855 L858A292-F296 WeakPolarHBondContact O-CB 3.46Å; A292-F296 PolarHBondContact O-N 3.06Å; L293-F296 PolarHBondContact O-N 2.98Å; F296-A298 VanDerWaalsContact C-N 3.33Å; F296-A298 PolarHBondContact O-N 3.36Å; F296-L299 PolarHBondContact O-N 2.93Å; F296-S300 WeakPolarHBondContact CE2-OG 3.41Å; F296-S300 WeakPolarHBondContact CZ-OG 3.42Å; F296-S300 VanDerWaalsContact O-CB 3.24Å; F296-S300 WeakPolarHBondContact O-CB 3.48Å; F296-S300 PolarHBondContact O-N 3Å; F296-S300 PolarHBondContact O-OG 3.02Å; F296-S300 VanDerWaalsContact O-OG 3.11Å; F296-F359 HydrophobicContact CD1-CZ 4.39Å; F296-F359 HydrophobicContact CE1-CE2 4.2Å; F296-F359 HydrophobicContact CE1-CZ 4.13Å; F296-Q851 HydrophobicContact CE1-CG 4.08Å; F296-Q851 HydrophobicContact CZ-CG 4.09Å; F296-V854 HydrophobicContact CD2-CG1 4.14Å; F296-V854 HydrophobicContact CE2-CB 4.28Å; F296-V854 HydrophobicContact CE2-CG1 3.5Å; F296-V854 VanDerWaalsContact CE2-CG1 3.5Å; F296-V854 HydrophobicContact CZ-CB 4.03Å; F296-V854 HydrophobicContact CZ-CG1 3.72Å; F296-A855 HydrophobicContact CD1-CB 4.18Å; F296-A855 HydrophobicContact CE1-CB 3.93Å; F296-L858 HydrophobicContact CB-CD1 3.62Å; F296-L858 HydrophobicContact CD1-CD1 4.35Å; F296-L858 HydrophobicContact CD2-CD1 3.63Å; F296-L858 HydrophobicContact CE2-CD1 4.38Å; F296-L858 HydrophobicContact CG-CD1 3.6Å
297C80.8Confident74.7Confident6 Ų667 Ų674%0.04137%0.367CS..Hα-helixtrans-60.2-42.5175.9-68.10000111.5L293 L294 A295 T301 T314L293-C297 WeakPolarHBondContact O-CB 3.31Å; L293-C297 PolarHBondContact O-N 2.9Å; L293-C297 PolarHBondContact O-SG 3.47Å; L294-C297 PolarHBondContact O-N 3.42Å; A295-C297 PolarHBondContact O-N 3.39Å; C297-T301 WeakPolarHBondContact O-CB 3.43Å; C297-T301 WeakPolarHBondContact O-CG2 3.4Å; C297-T301 PolarHBondContact O-N 3.38Å; C297-T301 PolarHBondContact O-OG1 3.19Å; C297-T314 HydrophobicContact CB-CG2 3.44Å; C297-T314 VanDerWaalsContact CB-CG2 3.44Å; C297-T314 WeakPolarHBondContact SG-CG2 3.46Å
298A80.2Confident72.3Confident53 Ų5373.8 Ų73.844%0.43839%0.389SS..Hα-helixtrans-67.2-37.8175.200000112.9L294 A295 F296 T301 R302L294-A298 WeakPolarHBondContact O-CB 3.46Å; L294-A298 PolarHBondContact O-N 3.04Å; A295-A298 PolarHBondContact O-N 3.37Å; F296-A298 VanDerWaalsContact C-N 3.33Å; F296-A298 PolarHBondContact O-N 3.36Å; A298-T301 PolarHBondContact O-OG1 2.99Å; A298-R302 PolarHBondContact O-N 2.98Å
299L78.5Confident70.2Confident118 Ų11868 Ų6862%0.61837%0.365SS*.Hα-helixtrans-75.3-47.1-179-71.7171.6000112.7A295 F296 T301 R302A295-L299 WeakPolarHBondContact O-CB 3.45Å; A295-L299 VanDerWaalsContact O-CG 3.26Å; A295-L299 WeakPolarHBondContact O-CG 3.25Å; A295-L299 PolarHBondContact O-N 3.49Å; F296-L299 PolarHBondContact O-N 2.93Å; L299-T301 PolarHBondContact O-N 2.7Å; L299-T301 VanDerWaalsContact O-N 3.14Å; L299-R302 PolarHBondContact O-N 3.47Å; L299-R302 VanDerWaalsContact O-N 3.07Å
300S70.1Confident68.7Low27 Ų2769.3 Ų69.319%0.18937%0.371CS..Hα-helixtrans-59.2-26.4178.3-69.80000112.1F296F296-S300 WeakPolarHBondContact CE2-OG 3.41Å; F296-S300 WeakPolarHBondContact CZ-OG 3.42Å; F296-S300 VanDerWaalsContact O-CB 3.24Å; F296-S300 WeakPolarHBondContact O-CB 3.48Å; F296-S300 PolarHBondContact O-N 3Å; F296-S300 PolarHBondContact O-OG 3.02Å; F296-S300 VanDerWaalsContact O-OG 3.11Å
301T64.2Low67.4Low11 Ų1171.1 Ų71.17%0.06738%0.384CS..Hα-helixtrans-86.1-28.2177.854.30000113.5C297 A298 L299 G303 S304 K310 S311C297-T301 WeakPolarHBondContact O-CB 3.43Å; C297-T301 WeakPolarHBondContact O-CG2 3.4Å; C297-T301 PolarHBondContact O-N 3.38Å; C297-T301 PolarHBondContact O-OG1 3.19Å; A298-T301 PolarHBondContact O-OG1 2.99Å; L299-T301 PolarHBondContact O-N 2.7Å; L299-T301 VanDerWaalsContact O-N 3.14Å; T301-G303 VanDerWaalsContact C-N 3.35Å; T301-G303 PolarHBondContact O-N 2.9Å; T301-S304 PolarHBondContact O-N 3.05Å; T301-K310 HydrophobicContact CG2-CB 3.58Å; T301-S311 PolarHBondContact OG1-OG 3.32Å
302R57.9Low66.9Low212 Ų21270.3 Ų70.380%0.837%0.374SS*.Hα-helixtrans-67.3-26.9-178-168.3169.8173.5148.6-3.4114.4A298 L299 S304A298-R302 PolarHBondContact O-N 2.98Å; L299-R302 PolarHBondContact O-N 3.47Å; L299-R302 VanDerWaalsContact O-N 3.07Å; R302-S304 PolarHBondContact O-N 3.41Å; R302-S304 VanDerWaalsContact O-N 3.14Å
303G49.5Very low66.4Low58 Ų5869.4 Ų69.460%0.59836%0.364SS*.THydrogen-bonded Turntrans-66.1-10.4179.900000115.3T301T301-G303 VanDerWaalsContact C-N 3.35Å; T301-G303 PolarHBondContact O-N 2.9Å
304S48.7Very low66.1Low32 Ų3269.5 Ų69.522%0.22437%0.365CS..  trans-108.178-178.8-157.40000110.3T301 R302 T306 V307 K310T301-S304 PolarHBondContact O-N 3.05Å; R302-S304 PolarHBondContact O-N 3.41Å; R302-S304 VanDerWaalsContact O-N 3.14Å; S304-T306 PolarHBondContact O-N 2.69Å; S304-V307 PolarHBondContact O-N 3.08Å; S304-V307 VanDerWaalsContact O-N 3.12Å; S304-K310 VanDerWaalsContact CB-CE 3.43Å; S304-K310 WeakPolarHBondContact OG-CE 3.32Å; S304-K310 PolarHBondContact OG-NZ 3.1Å
305R37.8Very low66Low250 Ų25070 Ų7094%0.94337%0.368SS*.THydrogen-bonded Turntrans-50.8-7.8-174.6-153.5171.9-178.9165.7-0.8116
306T41.3Very low66.1Low119 Ų11969.1 Ų69.173%0.7336%0.356SS*.THydrogen-bonded Turntrans-109.86.5-175.4-34.90000113.8S304S304-T306 PolarHBondContact O-N 2.69Å
307V42.9Very low66.3Low37 Ų3767.8 Ų67.822%0.22435%0.35CS..  trans-140.484.6-172.5-157.90000112.2S304 G309 K310S304-V307 PolarHBondContact O-N 3.08Å; S304-V307 VanDerWaalsContact O-N 3.12Å; V307-G309 PolarHBondContact O-N 2.83Å; V307-K310 HydrophobicContact CB-CD 4.34Å; V307-K310 HydrophobicContact CB-CG 3.97Å; V307-K310 HydrophobicContact CG1-CG 3.89Å
308Q43Very low66.8Low198 Ų19868 Ų6893%0.92535%0.35SS*.THydrogen-bonded Turntrans-59.5-11.5175.8-96.7169.6-22.800115
309G51.3Low67.5Low6 Ų667.9 Ų67.96%0.06234%0.344CS..THydrogen-bonded Turntrans-81.5-27.4-17800000116.4V307 S311 W312 E313 N444V307-G309 PolarHBondContact O-N 2.83Å; G309-S311 VanDerWaalsContact C-N 3.29Å; G309-S311 PolarHBondContact O-N 2.96Å; G309-W312 WeakPolarHBondContact O-CB 3.49Å; G309-W312 PolarHBondContact O-N 2.85Å; G309-E313 VanDerWaalsContact C-OE2 3.3Å; G309-N444 WeakPolarHBondContact CA-ND2 3.42Å
310K61Low68.3Low27 Ų2762.3 Ų62.312%0.11732%0.315CS..Hα-helixtrans-57.5-33.5-158.9-68.7-168.9-176.1-159.40115.7T301 S304 V307 W312 E313 T314 Q366T301-K310 HydrophobicContact CG2-CB 3.58Å; S304-K310 VanDerWaalsContact CB-CE 3.43Å; S304-K310 WeakPolarHBondContact OG-CE 3.32Å; S304-K310 PolarHBondContact OG-NZ 3.1Å; V307-K310 HydrophobicContact CB-CD 4.34Å; V307-K310 HydrophobicContact CB-CG 3.97Å; V307-K310 HydrophobicContact CG1-CG 3.89Å; K310-W312 PolarHBondContact O-N 3.19Å; K310-E313 WeakPolarHBondContact CA-OE2 3.44Å; K310-T314 PolarHBondContact O-OG1 2.91Å; K310-Q366 VanDerWaalsContact CE-NE2 3.27Å; K310-Q366 VanDerWaalsContact NZ-OE1 3.11Å
311S67.6Low69.4Low62 Ų6261 Ų6143%0.43431%0.306SS..Hα-helixtrans-69.3-25.5-176.5-49.80000111.9T301 G309 L315T301-S311 PolarHBondContact OG1-OG 3.32Å; G309-S311 VanDerWaalsContact C-N 3.29Å; G309-S311 PolarHBondContact O-N 2.96Å; S311-L315 WeakPolarHBondContact O-CB 3.31Å; S311-L315 PolarHBondContact O-N 3.43Å; S311-L315 VanDerWaalsContact O-N 3.09Å
312W82.2Confident70.9Confident92 Ų9263.3 Ų63.335%0.34832%0.317SS..Hα-helixtrans-69.3-50.6178.5177.2-102000111.7G309 K310 T314 L315 M316 C436G309-W312 WeakPolarHBondContact O-CB 3.49Å; G309-W312 PolarHBondContact O-N 2.85Å; K310-W312 PolarHBondContact O-N 3.19Å; W312-T314 VanDerWaalsContact C-N 3.31Å; W312-T314 PolarHBondContact O-N 3.49Å; W312-L315 PolarHBondContact O-N 3.42Å; W312-M316 HydrophobicContact CD2-CG 4.12Å; W312-M316 HydrophobicContact CH2-CE 3.78Å; W312-M316 HydrophobicContact CH2-SD 3.84Å; W312-M316 HydrophobicContact CZ2-CE 3.46Å; W312-M316 VanDerWaalsContact CZ2-CE 3.46Å; W312-M316 HydrophobicContact CZ2-CG 3.98Å; W312-M316 HydrophobicContact CZ2-SD 3.79Å; W312-M316 HydrophobicContact CZ3-SD 4.25Å; W312-M316 WeakPolarHBondContact O-CG 3.47Å; W312-M316 PolarHBondContact O-N 3.06Å; W312-C436 PolarHBondContact NE1-O 2.73Å
313E82.7Confident72.8Confident13 Ų1353.7 Ų53.76%0.06128%0.281CS..Hα-helixtrans-64.9-38.8-175.6-58.787.7175.400111.6G309 K310 M316 G317 I362 M437G309-E313 VanDerWaalsContact C-OE2 3.3Å; K310-E313 WeakPolarHBondContact CA-OE2 3.44Å; E313-M316 PolarHBondContact O-N 2.82Å; E313-G317 PolarHBondContact O-N 2.89Å; E313-I362 HydrophobicContact CB-CD1 3.74Å; E313-I362 HydrophobicContact CB-CG1 3.88Å; E313-M437 HydrophobicContact CB-CG 4.4Å; E313-M437 HydrophobicContact CG-CG 4.08Å
314T82.6Confident75.1Confident3 Ų351 Ų512%0.01825%0.253CS..Hα-helixtrans-68-39.6176.2-49.70000112.2C297 K310 W312 M316 G317 F318 F359 I362C297-T314 HydrophobicContact CB-CG2 3.44Å; C297-T314 VanDerWaalsContact CB-CG2 3.44Å; C297-T314 WeakPolarHBondContact SG-CG2 3.46Å; K310-T314 PolarHBondContact O-OG1 2.91Å; W312-T314 VanDerWaalsContact C-N 3.31Å; W312-T314 PolarHBondContact O-N 3.49Å; T314-M316 VanDerWaalsContact C-N 3.32Å; T314-M316 PolarHBondContact O-N 3.18Å; T314-G317 PolarHBondContact O-N 2.8Å; T314-F318 PolarHBondContact O-N 3.18Å; T314-F359 HydrophobicContact CG2-CD1 4.36Å; T314-F359 HydrophobicContact CG2-CE1 3.49Å; T314-F359 VanDerWaalsContact CG2-CE1 3.49Å; T314-F359 HydrophobicContact CG2-CZ 4.15Å; T314-I362 WeakPolarHBondContact OG1-CD1 3.23Å
315L87.7Confident77.4Confident71 Ų7150.4 Ų50.437%0.37225%0.247SC..Hα-helixtrans-61.3-41.6175.2179.766.1000111.5L294 S311 W312 G317 F318 V319L294-L315 HydrophobicContact CD2-CD1 3.6Å; S311-L315 WeakPolarHBondContact O-CB 3.31Å; S311-L315 PolarHBondContact O-N 3.43Å; S311-L315 VanDerWaalsContact O-N 3.09Å; W312-L315 PolarHBondContact O-N 3.42Å; L315-G317 VanDerWaalsContact C-N 3.35Å; L315-F318 WeakPolarHBondContact O-CB 3.22Å; L315-F318 PolarHBondContact O-N 3.42Å; L315-V319 WeakPolarHBondContact O-CG2 3.18Å; L315-V319 PolarHBondContact O-N 3.15Å
316M91Very high80.3Confident28 Ų2841.5 Ų41.514%0.13822%0.218CC..Hα-helixtrans-70.2-32.2178.1-60.4-55.1-99.400112.1W312 E313 T314 V319 S320 F432 C436W312-M316 HydrophobicContact CD2-CG 4.12Å; W312-M316 HydrophobicContact CH2-CE 3.78Å; W312-M316 HydrophobicContact CH2-SD 3.84Å; W312-M316 HydrophobicContact CZ2-CE 3.46Å; W312-M316 VanDerWaalsContact CZ2-CE 3.46Å; W312-M316 HydrophobicContact CZ2-CG 3.98Å; W312-M316 HydrophobicContact CZ2-SD 3.79Å; W312-M316 HydrophobicContact CZ3-SD 4.25Å; W312-M316 WeakPolarHBondContact O-CG 3.47Å; W312-M316 PolarHBondContact O-N 3.06Å; E313-M316 PolarHBondContact O-N 2.82Å; T314-M316 VanDerWaalsContact C-N 3.32Å; T314-M316 PolarHBondContact O-N 3.18Å; M316-V319 PolarHBondContact O-N 3.21Å; M316-S320 WeakPolarHBondContact O-CB 2.98Å; M316-S320 PolarHBondContact O-N 2.88Å; M316-F432 HydrophobicContact CB-CE1 4.15Å; M316-F432 HydrophobicContact CE-CE1 4.31Å; M316-F432 HydrophobicContact CE-CZ 3.81Å; M316-F432 WeakPolarHBondContact O-CE1 3.49Å; M316-C436 HydrophobicContact CB-CB 3.78Å; M316-C436 HydrophobicContact CE-CB 4.3Å; M316-C436 WeakPolarHBondContact CE-SG 3.33Å; M316-C436 HydrophobicContact CG-CB 3.87Å
317G90.6Very high83Confident0 Ų035.8 Ų35.80%018%0.183CC..Hα-helixtrans-61.6-45.6168.600000112.7E313 T314 L315 V319 S320 S321 T358E313-G317 PolarHBondContact O-N 2.89Å; T314-G317 PolarHBondContact O-N 2.8Å; L315-G317 VanDerWaalsContact C-N 3.35Å; G317-V319 VanDerWaalsContact C-N 3.34Å; G317-V319 PolarHBondContact O-N 3.48Å; G317-S320 WeakPolarHBondContact O-CA 3.34Å; G317-S320 WeakPolarHBondContact O-CB 3.27Å; G317-S320 PolarHBondContact O-N 2.96Å; G317-S320 VanDerWaalsContact O-N 3.1Å; G317-S321 PolarHBondContact O-N 3.28Å; G317-S321 PolarHBondContact O-OG 3.4Å; G317-T358 WeakPolarHBondContact CA-OG1 3.41Å
318F92.2Very high85.6Confident11 Ų1134 Ų345%0.04817%0.172CC..Hα-helixtrans-58.1-44.6173.9176.1-91.1000112.5C290 L293 L294 T314 L315 S320 S321 I322 L351 I355C290-F318 HydrophobicContact CB-CE2 4.29Å; C290-F318 HydrophobicContact CB-CZ 3.75Å; L293-F318 HydrophobicContact CB-CD2 4.39Å; L293-F318 HydrophobicContact CB-CE2 4.21Å; L293-F318 HydrophobicContact CD1-CE2 4.47Å; L294-F318 HydrophobicContact CD1-CE1 4Å; L294-F318 HydrophobicContact CD1-CZ 4.12Å; L294-F318 HydrophobicContact CD2-CB 4.5Å; L294-F318 HydrophobicContact CD2-CD1 3.68Å; L294-F318 HydrophobicContact CD2-CD2 4.32Å; L294-F318 HydrophobicContact CD2-CE1 3.89Å; L294-F318 HydrophobicContact CD2-CG 3.91Å; L294-F318 HydrophobicContact CD2-CZ 4.33Å; L294-F318 HydrophobicContact CG-CD1 4.23Å; L294-F318 HydrophobicContact CG-CD2 4.42Å; L294-F318 HydrophobicContact CG-CE1 3.97Å; L294-F318 HydrophobicContact CG-CE2 4.21Å; L294-F318 HydrophobicContact CG-CG 4.45Å; L294-F318 HydrophobicContact CG-CZ 3.97Å; T314-F318 PolarHBondContact O-N 3.18Å; L315-F318 WeakPolarHBondContact O-CB 3.22Å; L315-F318 PolarHBondContact O-N 3.42Å; F318-S320 VanDerWaalsContact C-N 3.31Å; F318-S320 PolarHBondContact O-N 2.91Å; F318-S321 PolarHBondContact O-N 3.36Å; F318-I322 HydrophobicContact CD1-CD1 3.96Å; F318-I322 HydrophobicContact CE1-CD1 3.28Å; F318-I322 HydrophobicContact CE1-CG1 4.26Å; F318-I322 HydrophobicContact CZ-CD1 3.66Å; F318-I322 HydrophobicContact CZ-CG1 4.42Å; F318-I322 PolarHBondContact O-N 3.27Å; F318-L351 HydrophobicContact CD2-CD2 4.35Å; F318-L351 HydrophobicContact CE2-CD2 4.04Å; F318-I355 HydrophobicContact CD2-CD1 3.8Å
319V94Very high88.2Confident51 Ų5125.9 Ų25.931%0.30913%0.134SC..Hα-helixtrans-62.5-39175.5172.60000111.3L315 M316 G317 S321 I322 M323 F432L315-V319 WeakPolarHBondContact O-CG2 3.18Å; L315-V319 PolarHBondContact O-N 3.15Å; M316-V319 PolarHBondContact O-N 3.21Å; G317-V319 VanDerWaalsContact C-N 3.34Å; G317-V319 PolarHBondContact O-N 3.48Å; V319-S321 PolarHBondContact O-N 3.39Å; V319-I322 PolarHBondContact O-N 2.65Å; V319-M323 HydrophobicContact CG1-CG 4.4Å; V319-M323 HydrophobicContact CG1-SD 3.99Å; V319-M323 VanDerWaalsContact O-CG 3.31Å; V319-M323 WeakPolarHBondContact O-CG 3.36Å; V319-M323 PolarHBondContact O-N 3.03Å; V319-F432 HydrophobicContact CB-CE1 4.34Å; V319-F432 HydrophobicContact CG1-CE1 4.12Å; V319-F432 HydrophobicContact CG1-CZ 4.02Å
320S95.3Very high90.4Very high1 Ų125.6 Ų25.61%0.00713%0.131CC..Hα-helixtrans-57.7-46.1175.6-174.50000112M316 G317 F318 I322 M323 A324 Y428 V433M316-S320 WeakPolarHBondContact O-CB 2.98Å; M316-S320 PolarHBondContact O-N 2.88Å; G317-S320 WeakPolarHBondContact O-CA 3.34Å; G317-S320 WeakPolarHBondContact O-CB 3.27Å; G317-S320 PolarHBondContact O-N 2.96Å; G317-S320 VanDerWaalsContact O-N 3.1Å; F318-S320 VanDerWaalsContact C-N 3.31Å; F318-S320 PolarHBondContact O-N 2.91Å; S320-I322 VanDerWaalsContact C-N 3.35Å; S320-I322 PolarHBondContact O-N 3Å; S320-M323 WeakPolarHBondContact O-CB 3.36Å; S320-M323 PolarHBondContact O-N 3.45Å; S320-M323 VanDerWaalsContact O-N 3.15Å; S320-A324 PolarHBondContact O-N 3.4Å; S320-Y428 WeakPolarHBondContact OG-CB 3.46Å; S320-V433 VanDerWaalsContact CB-CG2 3.47Å; S320-V433 WeakPolarHBondContact OG-CG2 3.48Å
321S94.7Very high92.2Very high0 Ų027 Ų270%014%0.14CC..Hα-helixtrans-67.4-35.2179.4-55.80000112.2G317 F318 V319 A324 I325 G354 D425G317-S321 PolarHBondContact O-N 3.28Å; G317-S321 PolarHBondContact O-OG 3.4Å; F318-S321 PolarHBondContact O-N 3.36Å; V319-S321 PolarHBondContact O-N 3.39Å; S321-A324 WeakPolarHBondContact O-CB 3.19Å; S321-A324 PolarHBondContact O-N 3.41Å; S321-I325 WeakPolarHBondContact O-CD1 3.07Å; S321-I325 VanDerWaalsContact O-CG1 3.28Å; S321-I325 WeakPolarHBondContact O-CG1 3.27Å; S321-I325 PolarHBondContact O-N 2.89Å; S321-G354 WeakPolarHBondContact OG-CA 3.41Å; S321-D425 WeakPolarHBondContact CA-OD1 3.08Å; S321-D425 PolarHBondContact OG-OD1 2.88Å
322I95.6Very high93.6Very high59 Ų5924.6 Ų24.630%0.30312%0.122SC..Hα-helixtrans-63.1-43.9170.3-67.3178.1000111.1F318 V319 S320 A324 I325 I326 L351F318-I322 HydrophobicContact CD1-CD1 3.96Å; F318-I322 HydrophobicContact CE1-CD1 3.28Å; F318-I322 HydrophobicContact CE1-CG1 4.26Å; F318-I322 HydrophobicContact CZ-CD1 3.66Å; F318-I322 HydrophobicContact CZ-CG1 4.42Å; F318-I322 PolarHBondContact O-N 3.27Å; V319-I322 PolarHBondContact O-N 2.65Å; S320-I322 VanDerWaalsContact C-N 3.35Å; S320-I322 PolarHBondContact O-N 3Å; I322-A324 VanDerWaalsContact C-N 3.27Å; I322-A324 PolarHBondContact O-N 2.82Å; I322-I325 PolarHBondContact O-N 3.21Å; I322-I326 HydrophobicContact CG2-CD1 3.8Å; I322-I326 HydrophobicContact CG2-CG1 4.41Å; I322-I326 WeakPolarHBondContact O-CG1 3.39Å; I322-I326 PolarHBondContact O-N 3.42Å; I322-L351 HydrophobicContact CG1-CD2 4.01Å
323M97.6Very high94.3Very high10 Ų1020.4 Ų20.45%0.04911%0.106CC..Hα-helixtrans-59.7-39.8175.9-70.8167.85800111.3L38 T41 V319 S320 I326 S327 Y428 F432L38-M323 HydrophobicContact CD2-CE 4.08Å; L38-M323 HydrophobicContact CD2-SD 4.07Å; T41-M323 HydrophobicContact CG2-CB 4.05Å; T41-M323 HydrophobicContact CG2-CG 4.15Å; T41-M323 VanDerWaalsContact OG1-CE 3.24Å; T41-M323 WeakPolarHBondContact OG1-CE 3.41Å; V319-M323 HydrophobicContact CG1-CG 4.4Å; V319-M323 HydrophobicContact CG1-SD 3.99Å; V319-M323 VanDerWaalsContact O-CG 3.31Å; V319-M323 WeakPolarHBondContact O-CG 3.36Å; V319-M323 PolarHBondContact O-N 3.03Å; S320-M323 WeakPolarHBondContact O-CB 3.36Å; S320-M323 PolarHBondContact O-N 3.45Å; S320-M323 VanDerWaalsContact O-N 3.15Å; M323-I326 PolarHBondContact O-N 3.1Å; M323-S327 VanDerWaalsContact O-CB 3.26Å; M323-S327 WeakPolarHBondContact O-CB 3.09Å; M323-S327 PolarHBondContact O-N 3.21Å; M323-S327 PolarHBondContact O-OG 3.41Å; M323-Y428 HydrophobicContact CB-CD2 3.89Å; M323-Y428 HydrophobicContact CB-CE2 3.83Å; M323-Y428 HydrophobicContact CE-CD1 4.2Å; M323-Y428 HydrophobicContact CE-CE1 4.14Å; M323-Y428 HydrophobicContact CE-CG 4.49Å; M323-Y428 WeakPolarHBondContact O-CE2 3.13Å; M323-F432 HydrophobicContact CE-CD2 4Å; M323-F432 HydrophobicContact CE-CE2 4.33Å; M323-F432 HydrophobicContact CE-CG 4.27Å; M323-F432 HydrophobicContact SD-CD1 4.31Å; M323-F432 HydrophobicContact SD-CD2 4.1Å; M323-F432 HydrophobicContact SD-CE1 4.19Å; M323-F432 HydrophobicContact SD-CE2 3.97Å; M323-F432 HydrophobicContact SD-CG 4.26Å; M323-F432 HydrophobicContact SD-CZ 4.01Å
324A97.9Very high94.9Very high0 Ų026.3 Ų26.30%013%0.129CC..Hα-helixtrans-61.9-45.9176.600000112.1S320 S321 I322 S327 S328 F424 D425 Y428S320-A324 PolarHBondContact O-N 3.4Å; S321-A324 WeakPolarHBondContact O-CB 3.19Å; S321-A324 PolarHBondContact O-N 3.41Å; I322-A324 VanDerWaalsContact C-N 3.27Å; I322-A324 PolarHBondContact O-N 2.82Å; A324-S327 PolarHBondContact O-N 2.86Å; A324-S328 WeakPolarHBondContact O-CB 3.48Å; A324-S328 PolarHBondContact O-N 2.91Å; A324-F424 HydrophobicContact CB-CB 3.92Å; A324-D425 HydrophobicContact CB-CB 3.85Å; A324-Y428 HydrophobicContact CB-CD2 4.04Å
325I96.8Very high95.5Very high21 Ų2131 Ų3111%0.10816%0.157CC..Hα-helixtrans-60.4-50.4176.5-66.4160.2000110.7S321 I322 S327 S328 F329 P347 A350 L351S321-I325 WeakPolarHBondContact O-CD1 3.07Å; S321-I325 VanDerWaalsContact O-CG1 3.28Å; S321-I325 WeakPolarHBondContact O-CG1 3.27Å; S321-I325 PolarHBondContact O-N 2.89Å; I322-I325 PolarHBondContact O-N 3.21Å; I325-S327 VanDerWaalsContact C-N 3.27Å; I325-S327 PolarHBondContact O-N 3.44Å; I325-S328 PolarHBondContact O-N 3.38Å; I325-F329 HydrophobicContact CG2-CD2 4.04Å; I325-F329 HydrophobicContact CG2-CE2 4.08Å; I325-F329 WeakPolarHBondContact O-CB 3.41Å; I325-F329 VanDerWaalsContact O-CD2 3.23Å; I325-F329 WeakPolarHBondContact O-CD2 3.34Å; I325-F329 PolarHBondContact O-N 3Å; I325-P347 HydrophobicContact CD1-CB 4.1Å; I325-P347 WeakPolarHBondContact CD1-O 3.46Å; I325-P347 HydrophobicContact CG2-CB 4.13Å; I325-P347 HydrophobicContact CG2-CG 4.14Å; I325-A350 HydrophobicContact CD1-CB 4.06Å; I325-A350 HydrophobicContact CG1-CB 3.72Å; I325-L351 HydrophobicContact CD1-CD2 4.17Å; I325-L351 HydrophobicContact CD1-CG 3.82Å
326I97.7Very high95.8Very high62 Ų6229.4 Ų29.432%0.31816%0.158SC..Hα-helixtrans-60-40.2179.1-67.1168.9000111T41 L48 I322 M323 G330T41-I326 HydrophobicContact CG2-CB 4.21Å; T41-I326 HydrophobicContact CG2-CG2 3.98Å; L48-I326 HydrophobicContact CD1-CG2 4.47Å; I322-I326 HydrophobicContact CG2-CD1 3.8Å; I322-I326 HydrophobicContact CG2-CG1 4.41Å; I322-I326 WeakPolarHBondContact O-CG1 3.39Å; I322-I326 PolarHBondContact O-N 3.42Å; M323-I326 PolarHBondContact O-N 3.1Å; I326-G330 WeakPolarHBondContact O-CA 3.24Å; I326-G330 PolarHBondContact O-N 3.18Å
327S98.4Very high96Very high0 Ų029.5 Ų29.50%016%0.16CC..Hα-helixtrans-68.8-43-179-600000112.1M323 A324 I325 L331 Y428M323-S327 VanDerWaalsContact O-CB 3.26Å; M323-S327 WeakPolarHBondContact O-CB 3.09Å; M323-S327 PolarHBondContact O-N 3.21Å; M323-S327 PolarHBondContact O-OG 3.41Å; A324-S327 PolarHBondContact O-N 2.86Å; I325-S327 VanDerWaalsContact C-N 3.27Å; I325-S327 PolarHBondContact O-N 3.44Å; S327-L331 VanDerWaalsContact O-CB 3.25Å; S327-L331 WeakPolarHBondContact O-CB 3.4Å; S327-L331 PolarHBondContact O-N 3.36Å; S327-Y428 VanDerWaalsContact OG-CE2 3.31Å; S327-Y428 WeakPolarHBondContact OG-CE2 3.28Å; S327-Y428 PolarHBondContact OG-OH 3.31Å
328S97.7Very high96Very high0 Ų031.3 Ų31.30%017%0.172CC..Hα-helixtrans-61.8-53.7175.6176.90000111.2A324 I325 G330 L331 L332 Y417 T420 A421A324-S328 WeakPolarHBondContact O-CB 3.48Å; A324-S328 PolarHBondContact O-N 2.91Å; I325-S328 PolarHBondContact O-N 3.38Å; S328-G330 VanDerWaalsContact C-N 3.35Å; S328-G330 PolarHBondContact O-N 3.02Å; S328-L331 PolarHBondContact O-N 2.96Å; S328-L332 WeakPolarHBondContact O-CB 3.09Å; S328-L332 VanDerWaalsContact O-CG 3.3Å; S328-L332 WeakPolarHBondContact O-CG 3.19Å; S328-L332 PolarHBondContact O-N 3.49Å; S328-Y417 PolarHBondContact OG-O 2.93Å; S328-T420 WeakPolarHBondContact OG-CB 3.38Å; S328-A421 PolarHBondContact OG-N 3.16Å
329F97.6Very high96.1Very high27 Ų2731.3 Ų31.312%0.11817%0.172CC..Hα-helixtrans-64.9-40.2-178.1-80.2-121000111.6L48 I325 A333 F339 V343 T346 P347 Y417L48-F329 HydrophobicContact CD2-CB 3.88Å; I325-F329 HydrophobicContact CG2-CD2 4.04Å; I325-F329 HydrophobicContact CG2-CE2 4.08Å; I325-F329 WeakPolarHBondContact O-CB 3.41Å; I325-F329 VanDerWaalsContact O-CD2 3.23Å; I325-F329 WeakPolarHBondContact O-CD2 3.34Å; I325-F329 PolarHBondContact O-N 3Å; F329-A333 WeakPolarHBondContact O-CB 3.19Å; F329-A333 PolarHBondContact O-N 3.32Å; F329-F339 HydrophobicContact CE1-CD2 4.01Å; F329-F339 AromaticContact CE1-CE2 3.82Å; F329-F339 HydrophobicContact CE1-CE2 3.82Å; F329-V343 HydrophobicContact CE1-CG1 4.02Å; F329-V343 HydrophobicContact CZ-CG1 3.72Å; F329-T346 HydrophobicContact CE2-CG2 4.27Å; F329-P347 HydrophobicContact CE2-CG 4.21Å; F329-P347 HydrophobicContact CZ-CG 3.78Å; F329-Y417 HydrophobicContact CD1-CD1 4.41Å; F329-Y417 HydrophobicContact CD1-CE1 4.14Å; F329-Y417 HydrophobicContact CD2-CD1 4.04Å; F329-Y417 HydrophobicContact CD2-CE1 4.39Å; F329-Y417 HydrophobicContact CE1-CD1 4.4Å; F329-Y417 HydrophobicContact CE1-CE1 4.41Å; F329-Y417 HydrophobicContact CE2-CD1 4.01Å; F329-Y417 HydrophobicContact CG-CD1 4.24Å; F329-Y417 HydrophobicContact CG-CE1 4.13Å; F329-Y417 HydrophobicContact CZ-CD1 4.19Å
330G97.7Very high95.9Very high0 Ų029 Ų290%016%0.158CC..Hα-helixtrans-63.8-46.9176.500000112.8L44 G47 I326 S328 Y334L44-G330 CarbonylContact O-C 3.58Å; L44-G330 VanDerWaalsContact O-CA 3.24Å; L44-G330 WeakPolarHBondContact O-CA 3.42Å; G47-G330 CarbonylContact C-O 3.6Å; G47-G330 VanDerWaalsContact CA-O 3.28Å; G47-G330 WeakPolarHBondContact CA-O 3.5Å; I326-G330 WeakPolarHBondContact O-CA 3.24Å; I326-G330 PolarHBondContact O-N 3.18Å; S328-G330 VanDerWaalsContact C-N 3.35Å; S328-G330 PolarHBondContact O-N 3.02Å; G330-Y334 WeakPolarHBondContact O-CB 3.04Å; G330-Y334 PolarHBondContact O-N 3.29Å
331L98.1Very high95.5Very high57 Ų5729.5 Ų29.530%0.29816%0.161SC..Hα-helixtrans-60.7-48.1177.2177.761.9000111.6L44 S327 S328 Y334 V335 T420 F424L44-L331 HydrophobicContact CD2-CB 4.24Å; L44-L331 HydrophobicContact CD2-CD1 4.13Å; S327-L331 VanDerWaalsContact O-CB 3.25Å; S327-L331 WeakPolarHBondContact O-CB 3.4Å; S327-L331 PolarHBondContact O-N 3.36Å; S328-L331 PolarHBondContact O-N 2.96Å; L331-Y334 WeakPolarHBondContact O-CB 3.36Å; L331-Y334 PolarHBondContact O-N 3.07Å; L331-Y334 VanDerWaalsContact O-N 3.17Å; L331-V335 HydrophobicContact CD1-CG2 4.27Å; L331-V335 WeakPolarHBondContact O-CG2 3.21Å; L331-V335 PolarHBondContact O-N 3Å; L331-T420 HydrophobicContact CD2-CG2 4.2Å; L331-F424 HydrophobicContact CB-CE2 4.35Å; L331-F424 HydrophobicContact CD2-CE2 3.87Å; L331-F424 HydrophobicContact CD2-CZ 3.93Å
332L97.7Very high95.2Very high11 Ų1130 Ų306%0.05816%0.164CC..Hα-helixtrans-69.4-37.9-175.6-68174.2000112.1S328 Y334 V335 G336 V337 I416 Y417 T420S328-L332 WeakPolarHBondContact O-CB 3.09Å; S328-L332 VanDerWaalsContact O-CG 3.3Å; S328-L332 WeakPolarHBondContact O-CG 3.19Å; S328-L332 PolarHBondContact O-N 3.49Å; L332-Y334 VanDerWaalsContact C-N 3.32Å; L332-Y334 PolarHBondContact O-N 2.9Å; L332-V335 PolarHBondContact O-N 3.08Å; L332-G336 PolarHBondContact O-N 2.98Å; L332-V337 HydrophobicContact CB-CB 4.25Å; L332-V337 HydrophobicContact CD2-CB 4.47Å; L332-V337 HydrophobicContact CD2-CG2 4.07Å; L332-V337 PolarHBondContact O-N 3.15Å; L332-I416 HydrophobicContact CD1-CG2 4.09Å; L332-I416 HydrophobicContact CD2-CG2 3.61Å; L332-Y417 HydrophobicContact CB-CD1 4.43Å; L332-Y417 HydrophobicContact CB-CE1 3.86Å; L332-Y417 HydrophobicContact CB-CE2 4.38Å; L332-Y417 VanDerWaalsContact CD1-CA 3.48Å; L332-Y417 HydrophobicContact CD1-CD1 3.45Å; L332-Y417 VanDerWaalsContact CD1-CD1 3.45Å; L332-Y417 HydrophobicContact CD1-CD2 3.89Å; L332-Y417 HydrophobicContact CD1-CE1 3.75Å; L332-Y417 HydrophobicContact CD1-CE2 4.17Å; L332-Y417 HydrophobicContact CD1-CG 3.52Å; L332-Y417 HydrophobicContact CG-CE1 4.47Å; L332-T420 HydrophobicContact CD1-CG2 4.41Å; L332-T420 HydrophobicContact CG-CG2 4.44Å
333A96.5Very high95.1Very high3 Ų327.1 Ų27.13%0.02515%0.149CC..Hα-helixtrans-62.4-38170.100000112.1G47 F329 G336G47-A333 VanDerWaalsContact O-CB 3.3Å; G47-A333 WeakPolarHBondContact O-CB 3.33Å; F329-A333 WeakPolarHBondContact O-CB 3.19Å; F329-A333 PolarHBondContact O-N 3.32Å; A333-G336 PolarHBondContact O-N 3.01Å
334Y95.6Very high94.8Very high138 Ų13826.8 Ų26.854%0.54115%0.147SC..Hα-helixtrans-65.3-41.7176.3-178.2-100.8000113G330 L331 L332 G336G330-Y334 WeakPolarHBondContact O-CB 3.04Å; G330-Y334 PolarHBondContact O-N 3.29Å; L331-Y334 WeakPolarHBondContact O-CB 3.36Å; L331-Y334 PolarHBondContact O-N 3.07Å; L331-Y334 VanDerWaalsContact O-N 3.17Å; L332-Y334 VanDerWaalsContact C-N 3.32Å; L332-Y334 PolarHBondContact O-N 2.9Å; Y334-G336 PolarHBondContact O-N 3.32Å
335V95.7Very high94.5Very high100 Ų10027 Ų2761%0.60615%0.149SC*.Hα-helixtrans-70.5-18.7177.4174.30000111.7L331 L332 V337L331-V335 HydrophobicContact CD1-CG2 4.27Å; L331-V335 WeakPolarHBondContact O-CG2 3.21Å; L331-V335 PolarHBondContact O-N 3Å; L332-V335 PolarHBondContact O-N 3.08Å; V335-V337 HydrophobicContact CG1-CG2 4.24Å
336G92.9Very high94.4Very high38 Ų3826 Ų2639%0.39214%0.144SC..THydrogen-bonded Turntrans89.725.9178.900000113.6L332 A333 Y334 P338L332-G336 PolarHBondContact O-N 2.98Å; A333-G336 PolarHBondContact O-N 3.01Å; Y334-G336 PolarHBondContact O-N 3.32Å; G336-P338 WeakPolarHBondContact O-CD 3.43Å
337V95.1Very high94.3Very high30 Ų3023.3 Ų23.318%0.18213%0.13CC..  trans-79.7112.8171.6-175.90000108.1L332 V335 V413 Y417L332-V337 HydrophobicContact CB-CB 4.25Å; L332-V337 HydrophobicContact CD2-CB 4.47Å; L332-V337 HydrophobicContact CD2-CG2 4.07Å; L332-V337 PolarHBondContact O-N 3.15Å; V335-V337 HydrophobicContact CG1-CG2 4.24Å; V337-V413 HydrophobicContact CG1-CG1 4.29Å; V337-Y417 HydrophobicContact CB-CE2 4.43Å; V337-Y417 HydrophobicContact CG1-CD2 4.49Å; V337-Y417 HydrophobicContact CG1-CE2 3.81Å; V337-Y417 PolarHBondContact O-OH 3.05Å
338P92.1Very high94Very high39 Ų3923.3 Ų23.325%0.25313%0.13SC..  trans-67.6140.7-174.628.3-34.6000111.2Q52 N54 G336 V413Q52-P338 CarbonylContact O-C 3.58Å; Q52-P338 WeakPolarHBondContact O-CA 3.39Å; N54-P338 HydrophobicContact CB-CB 3.74Å; N54-P338 HydrophobicContact CB-CG 4.18Å; G336-P338 WeakPolarHBondContact O-CD 3.43Å; P338-V413 WeakPolarHBondContact O-CG1 3.26Å
339F92.7Very high93.7Very high11 Ų1123.4 Ų23.45%0.04813%0.131CC..BIsolated β-bridgetrans-73.3140.8170.9175.9-92000110F51 Q52 Q53 N54 A279 F329 V343 T344F51-F339 HydrophobicContact CD2-CB 4.43Å; F51-F339 HydrophobicContact CE1-CB 4.33Å; F51-F339 HydrophobicContact CE2-CB 3.43Å; F51-F339 VanDerWaalsContact CE2-CB 3.43Å; F51-F339 HydrophobicContact CE2-CD1 4.36Å; F51-F339 HydrophobicContact CE2-CD2 4.03Å; F51-F339 AromaticContact CE2-CG 3.7Å; F51-F339 HydrophobicContact CE2-CG 3.7Å; F51-F339 HydrophobicContact CZ-CB 3.39Å; F51-F339 AromaticContact CZ-CD1 3.65Å; F51-F339 HydrophobicContact CZ-CD1 3.65Å; F51-F339 HydrophobicContact CZ-CD2 4.12Å; F51-F339 HydrophobicContact CZ-CE1 4.43Å; F51-F339 AromaticContact CZ-CG 3.45Å; F51-F339 HydrophobicContact CZ-CG 3.45Å; F51-F339 VanDerWaalsContact CZ-CG 3.45Å; Q52-F339 PolarHBondContact O-N 3.13Å; Q53-F339 CarbonylContact C-O 3.59Å; Q53-F339 WeakPolarHBondContact CA-O 3.33Å; Q53-F339 HydrophobicContact CG-CD1 4.09Å; N54-F339 PolarHBondContact N-O 3.34Å; A279-F339 HydrophobicContact CB-CE1 4.15Å; A279-F339 HydrophobicContact CB-CZ 4.47Å; F329-F339 HydrophobicContact CE1-CD2 4.01Å; F329-F339 AromaticContact CE1-CE2 3.82Å; F329-F339 HydrophobicContact CE1-CE2 3.82Å; F339-V343 HydrophobicContact CD2-CB 3.89Å; F339-V343 HydrophobicContact CD2-CG1 3.64Å; F339-V343 HydrophobicContact CE2-CB 3.76Å; F339-V343 HydrophobicContact CE2-CG1 3.62Å; F339-T344 WeakPolarHBondContact CZ-OG1 3.45Å
340N89.7Confident93.4Very high3 Ų322.1 Ų22.12%0.01613%0.125CC..  trans-123.9163172.169.828.7000110N54 L60 I342 V343 A410N54-N340 WeakPolarHBondContact O-CB 3.28Å; L60-N340 HydrophobicContact CD1-CB 4.11Å; N340-I342 PolarHBondContact O-N 3.46Å; N340-I342 VanDerWaalsContact O-N 3.13Å; N340-I342 PolarHBondContact OD1-N 2.98Å; N340-V343 WeakPolarHBondContact O-CB 3.47Å; N340-V343 PolarHBondContact O-N 2.81Å; N340-V343 VanDerWaalsContact O-N 3.1Å; N340-V343 WeakPolarHBondContact OD1-CG2 3.29Å; N340-V343 PolarHBondContact OD1-N 2.82Å; N340-A410 PolarHBondContact ND2-O 2.86Å
341S88.2Confident93.2Very high10 Ų1022.1 Ų22.17%0.0713%0.125CC..G310 helixtrans-60.6-26.9-175.8-65.70000114.4D55 V275 S276 T344D55-S341 VanDerWaalsContact CG-OG 3.24Å; D55-S341 WeakPolarHBondContact OD1-CB 3.44Å; D55-S341 PolarHBondContact OD1-N 3.43Å; D55-S341 PolarHBondContact OD1-OG 2.96Å; D55-S341 PolarHBondContact OD2-OG 3.24Å; V275-S341 PolarHBondContact O-OG 3.35Å; V275-S341 VanDerWaalsContact O-OG 3.12Å; S276-S341 WeakPolarHBondContact CA-OG 3.3Å; S341-T344 VanDerWaalsContact O-CB 3.28Å; S341-T344 WeakPolarHBondContact O-CB 3.42Å; S341-T344 PolarHBondContact O-N 2.96Å; S341-T344 PolarHBondContact O-OG1 3.46Å
342I87.8Confident92.8Very high10 Ų1019.6 Ų19.65%0.05111%0.112CC..G310 helixtrans-72.6-35.5178.5-58.6157.9000111.4Y61 N340 T344 V345 A410 F414 I802 I805Y61-I342 HydrophobicContact CE1-CD1 3.96Å; Y61-I342 WeakPolarHBondContact OH-CD1 3.41Å; Y61-I342 WeakPolarHBondContact OH-CG1 3.29Å; N340-I342 PolarHBondContact O-N 3.46Å; N340-I342 VanDerWaalsContact O-N 3.13Å; N340-I342 PolarHBondContact OD1-N 2.98Å; I342-T344 PolarHBondContact O-N 2.99Å; I342-V345 PolarHBondContact O-N 3.42Å; I342-V345 VanDerWaalsContact O-N 3.13Å; I342-A410 HydrophobicContact CD1-CB 3.76Å; I342-F414 HydrophobicContact CG2-CB 4.44Å; I342-F414 HydrophobicContact CG2-CD2 3.9Å; I342-F414 HydrophobicContact CG2-CG 4.33Å; I342-I802 HydrophobicContact CD1-CD1 3.49Å; I342-I802 VanDerWaalsContact CD1-CD1 3.49Å; I342-I802 HydrophobicContact CG1-CD1 3.65Å; I342-I805 HydrophobicContact CG2-CD1 3.99Å
343V92.9Very high92.3Very high0 Ų019.1 Ų19.10%011%0.11CC..G310 helixtrans-59-19.5176.9172.60000111.8F329 F339 N340 V345 T346 P347 V413 F414 Y417F329-V343 HydrophobicContact CE1-CG1 4.02Å; F329-V343 HydrophobicContact CZ-CG1 3.72Å; F339-V343 HydrophobicContact CD2-CB 3.89Å; F339-V343 HydrophobicContact CD2-CG1 3.64Å; F339-V343 HydrophobicContact CE2-CB 3.76Å; F339-V343 HydrophobicContact CE2-CG1 3.62Å; N340-V343 WeakPolarHBondContact O-CB 3.47Å; N340-V343 PolarHBondContact O-N 2.81Å; N340-V343 VanDerWaalsContact O-N 3.1Å; N340-V343 WeakPolarHBondContact OD1-CG2 3.29Å; N340-V343 PolarHBondContact OD1-N 2.82Å; V343-V345 PolarHBondContact O-N 3.4Å; V343-T346 VanDerWaalsContact O-CB 3.31Å; V343-T346 WeakPolarHBondContact O-CB 3.47Å; V343-T346 PolarHBondContact O-N 3.45Å; V343-T346 PolarHBondContact O-OG1 2.82Å; V343-P347 WeakPolarHBondContact O-CD 3.31Å; V343-V413 HydrophobicContact CG2-CG1 3.99Å; V343-F414 HydrophobicContact CG2-CB 4.45Å; V343-Y417 HydrophobicContact CB-CG 4.49Å; V343-Y417 HydrophobicContact CG1-CD1 3.6Å; V343-Y417 HydrophobicContact CG1-CD2 3.92Å; V343-Y417 HydrophobicContact CG1-CE1 4.13Å; V343-Y417 HydrophobicContact CG1-CE2 4.42Å; V343-Y417 HydrophobicContact CG1-CG 3.49Å; V343-Y417 VanDerWaalsContact CG1-CG 3.49Å; V343-Y417 HydrophobicContact CG2-CD2 3.75Å; V343-Y417 HydrophobicContact CG2-CE2 4.35Å; V343-Y417 HydrophobicContact CG2-CG 4.04Å
344T92.6Very high92Very high2 Ų219 Ų191%0.01211%0.109CC..G310 helixtrans-53.8-23.8173.9-44.30000113.7A279 T282 L283 F339 S341 I342 P347A279-T344 WeakPolarHBondContact CA-OG1 3.19Å; A279-T344 HydrophobicContact CB-CG2 4.38Å; A279-T344 VanDerWaalsContact CB-OG1 3.23Å; A279-T344 WeakPolarHBondContact CB-OG1 3.19Å; T282-T344 HydrophobicContact CG2-CG2 3.91Å; L283-T344 HydrophobicContact CD2-CG2 3.86Å; L283-T344 HydrophobicContact CG-CG2 3.78Å; F339-T344 WeakPolarHBondContact CZ-OG1 3.45Å; S341-T344 VanDerWaalsContact O-CB 3.28Å; S341-T344 WeakPolarHBondContact O-CB 3.42Å; S341-T344 PolarHBondContact O-N 2.96Å; S341-T344 PolarHBondContact O-OG1 3.46Å; I342-T344 PolarHBondContact O-N 2.99Å; T344-P347 VanDerWaalsContact O-CD 3.31Å; T344-P347 WeakPolarHBondContact O-CD 3.41Å
345V91.9Very high91.6Very high5 Ų512.5 Ų12.53%0.038%0.083CC..G310 helixtrans-84.7-23.1-179.6-165.50000113I342 V343 P347 F348 L349 L863 F874I342-V345 PolarHBondContact O-N 3.42Å; I342-V345 VanDerWaalsContact O-N 3.13Å; V343-V345 PolarHBondContact O-N 3.4Å; V345-P347 VanDerWaalsContact C-CD 3.43Å; V345-P347 VanDerWaalsContact C-N 3.35Å; V345-F348 WeakPolarHBondContact O-CB 3.49Å; V345-F348 PolarHBondContact O-N 3.02Å; V345-L349 PolarHBondContact O-N 3.43Å; V345-L863 HydrophobicContact CG1-CD1 3.85Å; V345-F874 HydrophobicContact CB-CD2 4.21Å; V345-F874 HydrophobicContact CB-CE2 4.11Å; V345-F874 HydrophobicContact CB-CZ 4.32Å; V345-F874 HydrophobicContact CG1-CB 4.49Å; V345-F874 HydrophobicContact CG1-CD1 3.37Å; V345-F874 HydrophobicContact CG1-CD2 3.53Å; V345-F874 HydrophobicContact CG1-CE1 3.21Å; V345-F874 HydrophobicContact CG1-CE2 3.37Å; V345-F874 HydrophobicContact CG1-CG 3.53Å; V345-F874 HydrophobicContact CG1-CZ 3.21Å; V345-F874 HydrophobicContact CG2-CD2 4.49Å
346T93.5Very high91.1Very high0 Ų09.1 Ų9.10%06%0.062CC..Hα-helixtrans-51.3-41.9179.9-61.40000114F329 V343 F348 L349 A350 F414 T418 A421F329-T346 HydrophobicContact CE2-CG2 4.27Å; V343-T346 VanDerWaalsContact O-CB 3.31Å; V343-T346 WeakPolarHBondContact O-CB 3.47Å; V343-T346 PolarHBondContact O-N 3.45Å; V343-T346 PolarHBondContact O-OG1 2.82Å; T346-F348 VanDerWaalsContact C-N 3.3Å; T346-F348 PolarHBondContact O-N 3.45Å; T346-L349 PolarHBondContact O-N 2.84Å; T346-A350 WeakPolarHBondContact O-CB 3.34Å; T346-A350 PolarHBondContact O-N 2.86Å; T346-F414 WeakPolarHBondContact OG1-CE2 3.31Å; T346-T418 HydrophobicContact CG2-CG2 4.34Å; T346-T418 WeakPolarHBondContact CG2-OG1 3.26Å; T346-T418 PolarHBondContact OG1-OG1 3.41Å; T346-A421 HydrophobicContact CG2-CB 4.28Å
347P95Very high90.8Very high6 Ų67.3 Ų7.34%0.0394%0.043CC..Hα-helixtrans-58.7-36.1176.3-2737.2000114.3L286 I325 F329 V343 T344 V345 L351L286-P347 HydrophobicContact CD1-CB 4Å; L286-P347 HydrophobicContact CD2-CB 4.04Å; I325-P347 HydrophobicContact CD1-CB 4.1Å; I325-P347 WeakPolarHBondContact CD1-O 3.46Å; I325-P347 HydrophobicContact CG2-CB 4.13Å; I325-P347 HydrophobicContact CG2-CG 4.14Å; F329-P347 HydrophobicContact CE2-CG 4.21Å; F329-P347 HydrophobicContact CZ-CG 3.78Å; V343-P347 WeakPolarHBondContact O-CD 3.31Å; T344-P347 VanDerWaalsContact O-CD 3.31Å; T344-P347 WeakPolarHBondContact O-CD 3.41Å; V345-P347 VanDerWaalsContact C-CD 3.43Å; V345-P347 VanDerWaalsContact C-N 3.35Å; P347-L351 WeakPolarHBondContact O-CB 3.05Å; P347-L351 VanDerWaalsContact O-CG 3.25Å; P347-L351 WeakPolarHBondContact O-CG 3.33Å; P347-L351 PolarHBondContact O-N 3.01Å
348F93.5Very high90.4Very high0 Ų06 Ų60%04%0.035CC..Hα-helixtrans-69.5-40.2178.9-63.6-99000111.1T282 L286 V345 T346 A352 A859 L863T282-F348 HydrophobicContact CG2-CE2 3.92Å; T282-F348 HydrophobicContact CG2-CZ 4.17Å; L286-F348 VanDerWaalsContact CA-CZ 3.49Å; L286-F348 HydrophobicContact CB-CE1 4.22Å; L286-F348 HydrophobicContact CB-CE2 4.23Å; L286-F348 HydrophobicContact CB-CZ 3.75Å; L286-F348 HydrophobicContact CD1-CD1 4.19Å; L286-F348 HydrophobicContact CD1-CD2 4.26Å; L286-F348 HydrophobicContact CD1-CE1 4.13Å; L286-F348 HydrophobicContact CD1-CE2 4.17Å; L286-F348 HydrophobicContact CD1-CG 4.27Å; L286-F348 HydrophobicContact CD1-CZ 4.12Å; L286-F348 VanDerWaalsContact N-CZ 3.3Å; V345-F348 WeakPolarHBondContact O-CB 3.49Å; V345-F348 PolarHBondContact O-N 3.02Å; T346-F348 VanDerWaalsContact C-N 3.3Å; T346-F348 PolarHBondContact O-N 3.45Å; F348-A352 PolarHBondContact O-N 3.14Å; F348-A352 VanDerWaalsContact O-N 3.15Å; F348-A859 WeakPolarHBondContact CD1-O 3.38Å; F348-L863 HydrophobicContact CB-CD1 4.13Å; F348-L863 HydrophobicContact CD1-CD1 4.17Å; F348-L863 HydrophobicContact CD1-CD2 3.86Å; F348-L863 HydrophobicContact CD1-CG 3.99Å; F348-L863 HydrophobicContact CD2-CD1 4.41Å; F348-L863 HydrophobicContact CD2-CD2 4.03Å; F348-L863 HydrophobicContact CE1-CD2 3.57Å; F348-L863 HydrophobicContact CE1-CG 4.11Å; F348-L863 HydrophobicContact CE2-CD2 3.79Å; F348-L863 HydrophobicContact CG-CD1 3.99Å; F348-L863 HydrophobicContact CG-CD2 4.07Å; F348-L863 HydrophobicContact CG-CG 4.27Å; F348-L863 HydrophobicContact CZ-CD2 3.53Å
349L90.2Very high90Very high1 Ų14.4 Ų4.41%0.0053%0.025CC..Hα-helixtrans-68.4-47.3177.1-177.561.6000111.8V345 T346 L351 A352 I353 F400 T418 M422 M809 F813 F874V345-L349 PolarHBondContact O-N 3.43Å; T346-L349 PolarHBondContact O-N 2.84Å; L349-L351 VanDerWaalsContact C-N 3.31Å; L349-L351 PolarHBondContact O-N 3.15Å; L349-A352 WeakPolarHBondContact O-CB 3.49Å; L349-A352 PolarHBondContact O-N 3.4Å; L349-A352 VanDerWaalsContact O-N 3.07Å; L349-I353 HydrophobicContact CD1-CD1 3.76Å; L349-I353 HydrophobicContact CD1-CG1 4.25Å; L349-I353 HydrophobicContact CG-CD1 3.8Å; L349-I353 WeakPolarHBondContact O-CG1 3.48Å; L349-I353 PolarHBondContact O-N 3.48Å; L349-F400 HydrophobicContact CD2-CE1 4.04Å; L349-F400 HydrophobicContact CD2-CZ 3.68Å; L349-T418 HydrophobicContact CD2-CG2 3.71Å; L349-M422 HydrophobicContact CG-CE 4.34Å; L349-M809 HydrophobicContact CD1-CG 4.14Å; L349-M809 HydrophobicContact CD1-SD 3.75Å; L349-M809 HydrophobicContact CD2-CG 4.04Å; L349-M809 HydrophobicContact CD2-SD 3.69Å; L349-M809 HydrophobicContact CG-SD 4.29Å; L349-F813 HydrophobicContact CD1-CE2 4.32Å; L349-F813 HydrophobicContact CD1-CZ 4.21Å; L349-F874 HydrophobicContact CB-CZ 4.4Å
350A93Very high89.3Confident0 Ų05 Ų50%03%0.028CC..Hα-helixtrans-62.1-36.8177.700000112.6I325 T346 G354 A421 M422I325-A350 HydrophobicContact CD1-CB 4.06Å; I325-A350 HydrophobicContact CG1-CB 3.72Å; T346-A350 WeakPolarHBondContact O-CB 3.34Å; T346-A350 PolarHBondContact O-N 2.86Å; A350-G354 PolarHBondContact O-N 3.13Å; A350-A421 HydrophobicContact CB-CB 4.1Å; A350-M422 HydrophobicContact CB-CE 3.95Å
351L92.7Very high89Confident1 Ų14.9 Ų4.91%0.0053%0.027CC..Hα-helixtrans-63.7-42171.3-78.1172.7000112.3L286 L293 F318 I322 I325 P347 L349 I355L286-L351 HydrophobicContact CD1-CD1 3.66Å; L293-L351 HydrophobicContact CD1-CB 4.06Å; L293-L351 HydrophobicContact CD1-CD1 4.46Å; F318-L351 HydrophobicContact CD2-CD2 4.35Å; F318-L351 HydrophobicContact CE2-CD2 4.04Å; I322-L351 HydrophobicContact CG1-CD2 4.01Å; I325-L351 HydrophobicContact CD1-CD2 4.17Å; I325-L351 HydrophobicContact CD1-CG 3.82Å; P347-L351 WeakPolarHBondContact O-CB 3.05Å; P347-L351 VanDerWaalsContact O-CG 3.25Å; P347-L351 WeakPolarHBondContact O-CG 3.33Å; P347-L351 PolarHBondContact O-N 3.01Å; L349-L351 VanDerWaalsContact C-N 3.31Å; L349-L351 PolarHBondContact O-N 3.15Å; L351-I355 WeakPolarHBondContact O-CB 3.45Å; L351-I355 VanDerWaalsContact O-CD1 3.28Å; L351-I355 WeakPolarHBondContact O-CD1 3.48Å; L351-I355 WeakPolarHBondContact O-CG1 3.34Å; L351-I355 PolarHBondContact O-N 2.93Å
352A89.6Confident88.7Confident3 Ų35 Ų53%0.0253%0.027CC..Hα-helixtrans-64-50.418000000111.7F348 L349 D356 A856 A859F348-A352 PolarHBondContact O-N 3.14Å; F348-A352 VanDerWaalsContact O-N 3.15Å; L349-A352 WeakPolarHBondContact O-CB 3.49Å; L349-A352 PolarHBondContact O-N 3.4Å; L349-A352 VanDerWaalsContact O-N 3.07Å; A352-D356 PolarHBondContact O-N 3.19Å; A352-A856 HydrophobicContact CB-CB 4.14Å; A352-A859 HydrophobicContact CB-CB 3.89Å
353I88.2Confident88Confident2 Ų26 Ų61%0.014%0.035CC..Hα-helixtrans-66-50.4-177.3-64.8169.2000110.6L349 I355 D356 D357 F400 M422 D812 F813L349-I353 HydrophobicContact CD1-CD1 3.76Å; L349-I353 HydrophobicContact CD1-CG1 4.25Å; L349-I353 HydrophobicContact CG-CD1 3.8Å; L349-I353 WeakPolarHBondContact O-CG1 3.48Å; L349-I353 PolarHBondContact O-N 3.48Å; I353-I355 VanDerWaalsContact C-N 3.3Å; I353-I355 PolarHBondContact O-N 2.85Å; I353-D356 WeakPolarHBondContact O-CB 3.21Å; I353-D356 PolarHBondContact O-N 3.26Å; I353-D357 PolarHBondContact O-N 3.05Å; I353-F400 HydrophobicContact CD1-CE2 4.42Å; I353-M422 HydrophobicContact CB-SD 4.06Å; I353-M422 HydrophobicContact CD1-CE 3.65Å; I353-M422 HydrophobicContact CD1-SD 3.72Å; I353-M422 HydrophobicContact CG1-SD 4.5Å; I353-M422 HydrophobicContact CG2-SD 3.89Å; I353-D812 WeakPolarHBondContact CD1-OD2 3.19Å; I353-F813 HydrophobicContact CG1-CE1 4.46Å; I353-F813 HydrophobicContact CG1-CZ 4.48Å
354G88.4Confident87.4Confident0 Ų06.3 Ų6.30%04%0.037CC..Hα-helixtrans-68.2-26.2-174.400000115.4S321 A350 T358 D425S321-G354 WeakPolarHBondContact OG-CA 3.41Å; A350-G354 PolarHBondContact O-N 3.13Å; G354-T358 PolarHBondContact O-N 3.18Å; G354-T358 PolarHBondContact O-OG1 2.8Å; G354-D425 VanDerWaalsContact CA-CG 3.44Å; G354-D425 WeakPolarHBondContact CA-OD1 3.32Å; G354-D425 WeakPolarHBondContact CA-OD2 3.48Å
355I88.2Confident86.9Confident1 Ų16.6 Ų6.61%0.0054%0.038CC..Hα-helixtrans-73-32171.9-67.9170.5000111.2L293 F318 L351 I353 T358 F359L293-I355 HydrophobicContact CB-CD1 4.24Å; L293-I355 HydrophobicContact CD1-CD1 3.73Å; L293-I355 HydrophobicContact CD2-CD1 4.02Å; L293-I355 HydrophobicContact CG-CD1 4.22Å; F318-I355 HydrophobicContact CD2-CD1 3.8Å; L351-I355 WeakPolarHBondContact O-CB 3.45Å; L351-I355 VanDerWaalsContact O-CD1 3.28Å; L351-I355 WeakPolarHBondContact O-CD1 3.48Å; L351-I355 WeakPolarHBondContact O-CG1 3.34Å; L351-I355 PolarHBondContact O-N 2.93Å; I353-I355 VanDerWaalsContact C-N 3.3Å; I353-I355 PolarHBondContact O-N 2.85Å; I355-T358 WeakPolarHBondContact O-CA 3.38Å; I355-T358 VanDerWaalsContact O-CB 3.27Å; I355-T358 WeakPolarHBondContact O-CB 3.49Å; I355-T358 PolarHBondContact O-N 3.34Å; I355-F359 HydrophobicContact CG2-CD2 4Å; I355-F359 HydrophobicContact CG2-CE1 4.22Å; I355-F359 HydrophobicContact CG2-CE2 3.37Å; I355-F359 HydrophobicContact CG2-CZ 3.49Å; I355-F359 VanDerWaalsContact CG2-CZ 3.49Å; I355-F359 WeakPolarHBondContact O-CD2 3.38Å; I355-F359 PolarHBondContact O-N 2.78Å
356D85.2Confident86.3Confident29 Ų299.9 Ų9.916%0.1555%0.053CC..Hα-helixtrans-64.6-47.6178.4-16857.5000111.8A352 I353 T358 F359 L360 G852A352-D356 PolarHBondContact O-N 3.19Å; I353-D356 WeakPolarHBondContact O-CB 3.21Å; I353-D356 PolarHBondContact O-N 3.26Å; D356-T358 PolarHBondContact O-N 2.84Å; D356-F359 WeakPolarHBondContact O-CA 3.49Å; D356-F359 WeakPolarHBondContact O-CB 3.49Å; D356-F359 PolarHBondContact O-N 3.27Å; D356-L360 PolarHBondContact O-N 3.11Å; D356-G852 WeakPolarHBondContact OD1-CA 3.48Å
357D85.8Confident85.4Confident1 Ų114 Ų141%0.0057%0.068CC..Hα-helixtrans-54.4-38.9172.5-88.6-24.2000111.3I353 L360 A361 I389 H429I353-D357 PolarHBondContact O-N 3.05Å; D357-L360 PolarHBondContact O-N 3.42Å; D357-A361 PolarHBondContact O-N 2.63Å; D357-I389 HydrophobicContact CB-CG1 4.42Å; D357-H429 PolarHBondContact O-CE1 3.42Å; D357-H429 VanDerWaalsContact O-CE1 3.26Å
358T87.4Confident84.8Confident1 Ų114.1 Ų14.11%0.0067%0.069CC..Hα-helixtrans-62.1-43.3175.2-58.80000111.5G317 G354 I355 D356 L360 A361 I362 H429G317-T358 WeakPolarHBondContact CA-OG1 3.41Å; G354-T358 PolarHBondContact O-N 3.18Å; G354-T358 PolarHBondContact O-OG1 2.8Å; I355-T358 WeakPolarHBondContact O-CA 3.38Å; I355-T358 VanDerWaalsContact O-CB 3.27Å; I355-T358 WeakPolarHBondContact O-CB 3.49Å; I355-T358 PolarHBondContact O-N 3.34Å; D356-T358 PolarHBondContact O-N 2.84Å; T358-L360 VanDerWaalsContact C-N 3.34Å; T358-L360 PolarHBondContact O-N 3.25Å; T358-A361 PolarHBondContact O-N 3.14Å; T358-I362 HydrophobicContact CG2-CD1 3.73Å; T358-I362 HydrophobicContact CG2-CG1 4.34Å; T358-I362 WeakPolarHBondContact O-CB 3.43Å; T358-I362 WeakPolarHBondContact O-CG1 3.36Å; T358-I362 PolarHBondContact O-N 2.88Å; T358-H429 PolarHBondContact N-CE1 2.92Å
359F82.7Confident84.2Confident7 Ų716.8 Ų16.83%0.0319%0.086CC..Hα-helixtrans-64.8-38.5175.9-64.8-39000112.4F296 T314 I355 D356 I362 S363 Q851 A855F296-F359 HydrophobicContact CD1-CZ 4.39Å; F296-F359 HydrophobicContact CE1-CE2 4.2Å; F296-F359 HydrophobicContact CE1-CZ 4.13Å; T314-F359 HydrophobicContact CG2-CD1 4.36Å; T314-F359 HydrophobicContact CG2-CE1 3.49Å; T314-F359 VanDerWaalsContact CG2-CE1 3.49Å; T314-F359 HydrophobicContact CG2-CZ 4.15Å; I355-F359 HydrophobicContact CG2-CD2 4Å; I355-F359 HydrophobicContact CG2-CE1 4.22Å; I355-F359 HydrophobicContact CG2-CE2 3.37Å; I355-F359 HydrophobicContact CG2-CZ 3.49Å; I355-F359 VanDerWaalsContact CG2-CZ 3.49Å; I355-F359 WeakPolarHBondContact O-CD2 3.38Å; I355-F359 PolarHBondContact O-N 2.78Å; D356-F359 WeakPolarHBondContact O-CA 3.49Å; D356-F359 WeakPolarHBondContact O-CB 3.49Å; D356-F359 PolarHBondContact O-N 3.27Å; F359-I362 PolarHBondContact O-N 3.04Å; F359-S363 WeakPolarHBondContact O-CB 3.3Å; F359-S363 PolarHBondContact O-N 3.11Å; F359-Q851 HydrophobicContact CD2-CG 3.87Å; F359-Q851 HydrophobicContact CE2-CG 3.9Å; F359-Q851 HydrophobicContact CG-CG 4.2Å; F359-Q851 HydrophobicContact CZ-CG 4.26Å; F359-A855 HydrophobicContact CE2-CB 3.85Å
360L79.1Confident83.6Confident24 Ų2422.7 Ų22.713%0.12611%0.108CC..Hα-helixtrans-61.9-48.1174.5178.759.7000111.6D356 D357 T358 I362 S363 T364 A388 I389 H820D356-L360 PolarHBondContact O-N 3.11Å; D357-L360 PolarHBondContact O-N 3.42Å; T358-L360 VanDerWaalsContact C-N 3.34Å; T358-L360 PolarHBondContact O-N 3.25Å; L360-I362 PolarHBondContact O-N 3.47Å; L360-S363 PolarHBondContact O-N 3.02Å; L360-S363 PolarHBondContact O-OG 3.42Å; L360-T364 PolarHBondContact O-N 3.2Å; L360-T364 PolarHBondContact O-OG1 2.92Å; L360-A388 HydrophobicContact CD2-CB 3.96Å; L360-I389 HydrophobicContact CD2-CG1 4.05Å; L360-H820 VanDerWaalsContact CD2-CE1 3.46Å; L360-H820 WeakPolarHBondContact CD2-CE1 3.22Å
361A83.6Confident83Confident0 Ų028.1 Ų28.10%015%0.146CC..Hα-helixtrans-60.5-43.6176.300000112.4D357 T358 S363 T364 W365 I389 H429 M437D357-A361 PolarHBondContact O-N 2.63Å; T358-A361 PolarHBondContact O-N 3.14Å; A361-S363 VanDerWaalsContact C-N 3.34Å; A361-S363 PolarHBondContact O-N 3.19Å; A361-T364 PolarHBondContact O-N 2.91Å; A361-T364 PolarHBondContact O-OG1 3.15Å; A361-W365 VanDerWaalsContact O-CB 3.29Å; A361-W365 WeakPolarHBondContact O-CB 3.31Å; A361-W365 PolarHBondContact O-N 2.9Å; A361-I389 HydrophobicContact CB-CD1 4.2Å; A361-H429 WeakPolarHBondContact CB-NE2 3.49Å; A361-M437 HydrophobicContact CB-CE 4.36Å; A361-M437 HydrophobicContact CB-SD 4.28Å
362I81.5Confident82.7Confident13 Ų1330.5 Ų30.57%0.06716%0.159CC..Hα-helixtrans-64-40.5177.4-70.7170.2000111E313 T314 T358 F359 L360 T364 W365 Q366E313-I362 HydrophobicContact CB-CD1 3.74Å; E313-I362 HydrophobicContact CB-CG1 3.88Å; T314-I362 WeakPolarHBondContact OG1-CD1 3.23Å; T358-I362 HydrophobicContact CG2-CD1 3.73Å; T358-I362 HydrophobicContact CG2-CG1 4.34Å; T358-I362 WeakPolarHBondContact O-CB 3.43Å; T358-I362 WeakPolarHBondContact O-CG1 3.36Å; T358-I362 PolarHBondContact O-N 2.88Å; F359-I362 PolarHBondContact O-N 3.04Å; L360-I362 PolarHBondContact O-N 3.47Å; I362-T364 PolarHBondContact O-N 3.31Å; I362-W365 PolarHBondContact O-N 2.91Å; I362-Q366 HydrophobicContact CG2-CG 4.33Å; I362-Q366 WeakPolarHBondContact O-CB 3.46Å; I362-Q366 VanDerWaalsContact O-CG 3.25Å; I362-Q366 WeakPolarHBondContact O-CG 3.33Å; I362-Q366 PolarHBondContact O-N 3.41Å
363S74Confident82.7Confident30 Ų3032.5 Ų32.521%0.2117%0.173CC..Hα-helixtrans-63.2-42.4-179.178.60000112F359 L360 A361 Q366 R367F359-S363 WeakPolarHBondContact O-CB 3.3Å; F359-S363 PolarHBondContact O-N 3.11Å; L360-S363 PolarHBondContact O-N 3.02Å; L360-S363 PolarHBondContact O-OG 3.42Å; A361-S363 VanDerWaalsContact C-N 3.34Å; A361-S363 PolarHBondContact O-N 3.19Å; S363-Q366 PolarHBondContact O-N 3.31Å; S363-R367 WeakPolarHBondContact O-CG 3.43Å; S363-R367 PolarHBondContact O-N 3.21Å
364T78.3Confident82.7Confident6 Ų633.4 Ų33.44%0.03718%0.179CC..Hα-helixtrans-72.1-39.4177560000111.5L360 A361 I362 Q366 R367 T368 T381 E384 A385L360-T364 PolarHBondContact O-N 3.2Å; L360-T364 PolarHBondContact O-OG1 2.92Å; A361-T364 PolarHBondContact O-N 2.91Å; A361-T364 PolarHBondContact O-OG1 3.15Å; I362-T364 PolarHBondContact O-N 3.31Å; T364-Q366 VanDerWaalsContact C-N 3.3Å; T364-Q366 PolarHBondContact O-N 3.16Å; T364-R367 WeakPolarHBondContact O-CB 3.48Å; T364-R367 PolarHBondContact O-N 3.47Å; T364-R367 VanDerWaalsContact O-N 3.11Å; T364-T368 PolarHBondContact O-N 3.02Å; T364-T381 WeakPolarHBondContact OG1-CG2 3.26Å; T364-E384 HydrophobicContact CG2-CB 4.47Å; T364-E384 HydrophobicContact CG2-CG 4.12Å; T364-A385 HydrophobicContact CG2-CB 3.94Å; T364-A385 VanDerWaalsContact OG1-CB 3.26Å; T364-A385 WeakPolarHBondContact OG1-CB 3.17Å
365W83.8Confident82.8Confident9 Ų935.9 Ų35.93%0.03419%0.19CC..Hα-helixtrans-57.7-39.8171.9-178.6-98.3000113.3A361 I362 R367 T368 R377 L378 T381 M437 V438 D441A361-W365 VanDerWaalsContact O-CB 3.29Å; A361-W365 WeakPolarHBondContact O-CB 3.31Å; A361-W365 PolarHBondContact O-N 2.9Å; I362-W365 PolarHBondContact O-N 2.91Å; W365-R367 VanDerWaalsContact C-N 3.28Å; W365-R367 PolarHBondContact O-N 3.44Å; W365-T368 PolarHBondContact O-N 3.05Å; W365-T368 PolarHBondContact O-OG1 3.19Å; W365-R377 HydrophobicContact CE3-CB 4.4Å; W365-R377 HydrophobicContact CH2-CB 3.73Å; W365-R377 HydrophobicContact CZ2-CB 4.11Å; W365-R377 HydrophobicContact CZ3-CB 3.93Å; W365-R377 VanDerWaalsContact NE1-NH2 3.1Å; W365-R377 PolarHBondContact O-NH2 3.15Å; W365-L378 HydrophobicContact CE3-CD1 4.47Å; W365-L378 HydrophobicContact CH2-CB 4.42Å; W365-L378 VanDerWaalsContact CZ3-CA 3.44Å; W365-L378 HydrophobicContact CZ3-CB 3.75Å; W365-L378 HydrophobicContact CZ3-CD1 3.97Å; W365-L378 HydrophobicContact CZ3-CG 4.49Å; W365-L378 VanDerWaalsContact CZ3-N 3.31Å; W365-T381 VanDerWaalsContact CA-OG1 3.29Å; W365-T381 WeakPolarHBondContact CA-OG1 3.26Å; W365-T381 HydrophobicContact CB-CG2 4.1Å; W365-T381 HydrophobicContact CE3-CG2 4.13Å; W365-M437 HydrophobicContact CB-CE 3.32Å; W365-M437 HydrophobicContact CD2-CE 3.73Å; W365-M437 HydrophobicContact CE3-CE 3.79Å; W365-M437 HydrophobicContact CG-CE 3.52Å; W365-M437 HydrophobicContact CZ3-CB 4.48Å; W365-V438 HydrophobicContact CH2-CG2 4.48Å; W365-D441 HydrophobicContact CZ2-CB 3.76Å
366Q78Confident82.9Confident74 Ų7440 Ų4035%0.34621%0.209SC..Hα-helixtrans-69.1-26.4177.4-73.9177.122.700113.1K310 I362 S363 T364 T368K310-Q366 VanDerWaalsContact CE-NE2 3.27Å; K310-Q366 VanDerWaalsContact NZ-OE1 3.11Å; I362-Q366 HydrophobicContact CG2-CG 4.33Å; I362-Q366 WeakPolarHBondContact O-CB 3.46Å; I362-Q366 VanDerWaalsContact O-CG 3.25Å; I362-Q366 WeakPolarHBondContact O-CG 3.33Å; I362-Q366 PolarHBondContact O-N 3.41Å; S363-Q366 PolarHBondContact O-N 3.31Å; T364-Q366 VanDerWaalsContact C-N 3.3Å; T364-Q366 PolarHBondContact O-N 3.16Å; Q366-T368 VanDerWaalsContact C-N 3.29Å
367R75Confident83.1Confident86 Ų8639 Ų3933%0.32520%0.203SC..Hα-helixtrans-76.9-13.1175.2-72.2168.854.9-153.5-16.7113.2S363 T364 W365 E384S363-R367 WeakPolarHBondContact O-CG 3.43Å; S363-R367 PolarHBondContact O-N 3.21Å; T364-R367 WeakPolarHBondContact O-CB 3.48Å; T364-R367 PolarHBondContact O-N 3.47Å; T364-R367 VanDerWaalsContact O-N 3.11Å; W365-R367 VanDerWaalsContact C-N 3.28Å; W365-R367 PolarHBondContact O-N 3.44Å; R367-E384 IonicContact CZ-OE1 2.82Å; R367-E384 VanDerWaalsContact CZ-OE1 3.25Å; R367-E384 IonicContact CZ-OE2 2.65Å; R367-E384 IonicContact NH1-OE1 3.42Å; R367-E384 PolarHBondContact NH1-OE1 2.83Å; R367-E384 IonicContact NH2-OE1 3.19Å; R367-E384 PolarHBondContact NH2-OE1 3.27Å; R367-E384 IonicContact NH2-OE2 3.93Å; R367-E384 PolarHBondContact NH2-OE2 2.92Å
368T81.8Confident83.5Confident9 Ų938.9 Ų38.96%0.05520%0.203CC..SBendtrans-75.5141.2177.265.50000111.9T364 W365 Q366 R370 R377 M380T364-T368 PolarHBondContact O-N 3.02Å; W365-T368 PolarHBondContact O-N 3.05Å; W365-T368 PolarHBondContact O-OG1 3.19Å; Q366-T368 VanDerWaalsContact C-N 3.29Å; T368-R370 PolarHBondContact O-N 3.17Å; T368-R377 PolarHBondContact OG1-NE 3.5Å; T368-R377 PolarHBondContact OG1-NH2 2.86Å; T368-M380 HydrophobicContact CG2-CB 3.93Å; T368-M380 HydrophobicContact CG2-CE 3.96Å
369P81.2Confident83.7Confident55 Ų5541 Ų4136%0.35721%0.211SC..  trans-58.3124.9175.1-24.531.9000112.5S371 L372P369-S371 PolarHBondContact O-N 2.94Å; P369-L372 HydrophobicContact CB-CD1 3.94Å; P369-L372 HydrophobicContact CB-CG 4.29Å; P369-L372 HydrophobicContact CG-CD1 4.06Å; P369-L372 PolarHBondContact O-N 2.93Å
370R77.6Confident83.9Confident125 Ų12543.3 Ų43.347%0.47222%0.222SC..THydrogen-bonded Turntrans-67.4-19.3-179.4-66.4-172.3-178.3-171.3-1.2114.5T368 L372T368-R370 PolarHBondContact O-N 3.17Å; R370-L372 PolarHBondContact O-N 2.94Å
371S80.9Confident84.4Confident115 Ų11542.2 Ų42.280%0.80422%0.217SC*.THydrogen-bonded Turntrans-66.5-1717752.10000113.2P369P369-S371 PolarHBondContact O-N 2.94Å
372L86.7Confident84.7Confident51 Ų5142.2 Ų42.227%0.26722%0.217SC..SBendtrans-83.4156.5-178-63.9167.7000111.8P369 R370 Q376 R377 M380 K445P369-L372 HydrophobicContact CB-CD1 3.94Å; P369-L372 HydrophobicContact CB-CG 4.29Å; P369-L372 HydrophobicContact CG-CD1 4.06Å; P369-L372 PolarHBondContact O-N 2.93Å; R370-L372 PolarHBondContact O-N 2.94Å; L372-Q376 HydrophobicContact CB-CB 4.15Å; L372-R377 HydrophobicContact CB-CG 3.88Å; L372-M380 HydrophobicContact CD1-CE 3.26Å; L372-M380 HydrophobicContact CD1-SD 4.16Å; L372-K445 PolarHBondContact O-NZ 3.38Å
373S89.5Confident84.9Confident45 Ų4545.9 Ų45.932%0.31523%0.23SC..  trans-61.1151.5173.761.90000110.9E375 Q376 R377S373-E375 PolarHBondContact O-N 2.88Å; S373-Q376 PolarHBondContact O-N 2.8Å; S373-Q376 VanDerWaalsContact O-N 3.11Å; S373-Q376 WeakPolarHBondContact OG-CB 3.24Å; S373-Q376 VanDerWaalsContact OG-CD 3.29Å; S373-Q376 VanDerWaalsContact OG-CG 3.26Å; S373-Q376 WeakPolarHBondContact OG-CG 3.29Å; S373-Q376 PolarHBondContact OG-N 3.32Å; S373-Q376 PolarHBondContact OG-OE1 3.22Å; S373-R377 WeakPolarHBondContact O-CG 3.16Å; S373-R377 PolarHBondContact O-N 3.45Å
374P87.5Confident85.2Confident21 Ų2147.3 Ų47.314%0.13623%0.233CC..Hα-helixtrans-53-37.9177-24.933.8000112.8R377 L378 V438 D441 Q442 K445P374-R377 PolarHBondContact O-N 3.2Å; P374-L378 PolarHBondContact O-N 3.39Å; P374-V438 HydrophobicContact CB-CG1 3.95Å; P374-D441 HydrophobicContact CB-CB 4.32Å; P374-D441 HydrophobicContact CG-CB 4.42Å; P374-D441 WeakPolarHBondContact CG-OD2 3.4Å; P374-Q442 HydrophobicContact CB-CG 4.39Å; P374-Q442 HydrophobicContact CG-CG 3.93Å; P374-K445 HydrophobicContact CG-CD 4.44Å
375E90.7Very high85.5Confident52 Ų5247 Ų4724%0.24323%0.231CC..Hα-helixtrans-59.9-52.9174.8179.4-173.7164.400111.9R24 Q28 S373 R377 L378 R379R24-E375 WeakPolarHBondContact CG-OE1 3.18Å; Q28-E375 HydrophobicContact CG-CG 4.45Å; Q28-E375 PolarHBondContact NE2-OE1 3.3Å; S373-E375 PolarHBondContact O-N 2.88Å; E375-R377 VanDerWaalsContact C-N 3.27Å; E375-R377 PolarHBondContact O-N 3.13Å; E375-L378 PolarHBondContact O-N 3Å; E375-L378 VanDerWaalsContact O-N 3.16Å; E375-R379 WeakPolarHBondContact O-CG 3.28Å; E375-R379 PolarHBondContact O-N 3.5Å
376Q90.7Very high85.6Confident86 Ų8646.6 Ų46.640%0.40223%0.23SC..Hα-helixtrans-64-34.2-179.7-74.3167.4-30.200112.4L372 S373 M380L372-Q376 HydrophobicContact CB-CB 4.15Å; S373-Q376 PolarHBondContact O-N 2.8Å; S373-Q376 VanDerWaalsContact O-N 3.11Å; S373-Q376 WeakPolarHBondContact OG-CB 3.24Å; S373-Q376 VanDerWaalsContact OG-CD 3.29Å; S373-Q376 VanDerWaalsContact OG-CG 3.26Å; S373-Q376 WeakPolarHBondContact OG-CG 3.29Å; S373-Q376 PolarHBondContact OG-N 3.32Å; S373-Q376 PolarHBondContact OG-OE1 3.22Å; Q376-M380 WeakPolarHBondContact O-CE 3.3Å; Q376-M380 PolarHBondContact O-N 2.83Å
377R90.1Very high85.8Confident8 Ų843.7 Ų43.73%0.0322%0.218CC..Hα-helixtrans-64.6-46.2173.5-68-178.466.5-153.8-6.7110.8W365 T368 L372 S373 P374 E375 R379 M380 T381 D441W365-R377 HydrophobicContact CE3-CB 4.4Å; W365-R377 HydrophobicContact CH2-CB 3.73Å; W365-R377 HydrophobicContact CZ2-CB 4.11Å; W365-R377 HydrophobicContact CZ3-CB 3.93Å; W365-R377 VanDerWaalsContact NE1-NH2 3.1Å; W365-R377 PolarHBondContact O-NH2 3.15Å; T368-R377 PolarHBondContact OG1-NE 3.5Å; T368-R377 PolarHBondContact OG1-NH2 2.86Å; L372-R377 HydrophobicContact CB-CG 3.88Å; S373-R377 WeakPolarHBondContact O-CG 3.16Å; S373-R377 PolarHBondContact O-N 3.45Å; P374-R377 PolarHBondContact O-N 3.2Å; E375-R377 VanDerWaalsContact C-N 3.27Å; E375-R377 PolarHBondContact O-N 3.13Å; R377-R379 VanDerWaalsContact C-N 3.32Å; R377-R379 PolarHBondContact O-N 2.82Å; R377-M380 HydrophobicContact CG-CE 4.49Å; R377-M380 PolarHBondContact O-N 3.36Å; R377-T381 PolarHBondContact O-N 3.19Å; R377-T381 PolarHBondContact O-OG1 2.99Å; R377-T381 VanDerWaalsContact O-OG1 3.11Å; R377-D441 IonicContact CZ-OD1 2.69Å; R377-D441 IonicContact NH1-OD1 2.77Å; R377-D441 PolarHBondContact NH1-OD1 2.83Å; R377-D441 IonicContact NH1-OD2 3.13Å; R377-D441 PolarHBondContact NH1-OD2 2.81Å
378L92.5Very high86.1Confident0 Ų040.7 Ų40.70%021%0.211CC..Hα-helixtrans-60.7-40.8176.9-172.164000112.4V26 W365 P374 E375 M380 T381 M382 V438V26-L378 HydrophobicContact CB-CD2 3.77Å; V26-L378 HydrophobicContact CG1-CD2 3.66Å; W365-L378 HydrophobicContact CE3-CD1 4.47Å; W365-L378 HydrophobicContact CH2-CB 4.42Å; W365-L378 VanDerWaalsContact CZ3-CA 3.44Å; W365-L378 HydrophobicContact CZ3-CB 3.75Å; W365-L378 HydrophobicContact CZ3-CD1 3.97Å; W365-L378 HydrophobicContact CZ3-CG 4.49Å; W365-L378 VanDerWaalsContact CZ3-N 3.31Å; P374-L378 PolarHBondContact O-N 3.39Å; E375-L378 PolarHBondContact O-N 3Å; E375-L378 VanDerWaalsContact O-N 3.16Å; L378-M380 PolarHBondContact O-N 2.91Å; L378-T381 PolarHBondContact O-N 2.67Å; L378-M382 HydrophobicContact CD1-CE 3.92Å; L378-M382 HydrophobicContact CD1-CG 3.81Å; L378-M382 HydrophobicContact CD1-SD 4.49Å; L378-M382 HydrophobicContact CG-CG 3.91Å; L378-M382 WeakPolarHBondContact O-CB 3.44Å; L378-M382 WeakPolarHBondContact O-CG 3.39Å; L378-M382 PolarHBondContact O-N 2.99Å; L378-V438 HydrophobicContact CB-CG2 3.93Å; L378-V438 HydrophobicContact CD1-CG2 4.42Å; L378-V438 HydrophobicContact CD2-CG2 3.54Å; L378-V438 HydrophobicContact CG-CG2 4.15Å
379R92.9Very high86.2Confident45 Ų4540.2 Ų40.217%0.1721%0.208CC..Hα-helixtrans-56.1-48.5176-70.5176.662.9-179.50.7112.3D20 R24 E375 R377 R383D20-R379 WeakPolarHBondContact O-CG 3.33Å; D20-R379 IonicContact OD1-CZ 3.88Å; D20-R379 IonicContact OD1-NE 3.34Å; D20-R379 PolarHBondContact OD1-NE 3.48Å; D20-R379 IonicContact OD1-NH2 3.59Å; D20-R379 IonicContact OD2-CZ 3.57Å; D20-R379 IonicContact OD2-NE 3.55Å; D20-R379 IonicContact OD2-NH2 2.75Å; D20-R379 PolarHBondContact OD2-NH2 2.97Å; R24-R379 HydrophobicContact CB-CG 4.11Å; E375-R379 WeakPolarHBondContact O-CG 3.28Å; E375-R379 PolarHBondContact O-N 3.5Å; R377-R379 VanDerWaalsContact C-N 3.32Å; R377-R379 PolarHBondContact O-N 2.82Å; R379-R383 VanDerWaalsContact O-CB 3.23Å; R379-R383 WeakPolarHBondContact O-CB 3.27Å; R379-R383 PolarHBondContact O-N 3.29Å
380M87.7Confident86.5Confident56 Ų5638.1 Ų38.128%0.27620%0.195SC..Hα-helixtrans-66.9-40.7177.9-66.9-178-6900112T368 L372 Q376 R377 L378 R383 E384T368-M380 HydrophobicContact CG2-CB 3.93Å; T368-M380 HydrophobicContact CG2-CE 3.96Å; L372-M380 HydrophobicContact CD1-CE 3.26Å; L372-M380 HydrophobicContact CD1-SD 4.16Å; Q376-M380 WeakPolarHBondContact O-CE 3.3Å; Q376-M380 PolarHBondContact O-N 2.83Å; R377-M380 HydrophobicContact CG-CE 4.49Å; R377-M380 PolarHBondContact O-N 3.36Å; L378-M380 PolarHBondContact O-N 2.91Å; M380-R383 PolarHBondContact O-N 2.73Å; M380-E384 PolarHBondContact O-N 2.81Å; M380-E384 VanDerWaalsContact O-N 3.15Å
381T89Confident86.7Confident1 Ų133.3 Ų33.31%0.00618%0.179CC..Hα-helixtrans-62.2-51.9176.6-650000111.4T364 W365 R377 L378 R383 E384 A385 M437T364-T381 WeakPolarHBondContact OG1-CG2 3.26Å; W365-T381 VanDerWaalsContact CA-OG1 3.29Å; W365-T381 WeakPolarHBondContact CA-OG1 3.26Å; W365-T381 HydrophobicContact CB-CG2 4.1Å; W365-T381 HydrophobicContact CE3-CG2 4.13Å; R377-T381 PolarHBondContact O-N 3.19Å; R377-T381 PolarHBondContact O-OG1 2.99Å; R377-T381 VanDerWaalsContact O-OG1 3.11Å; L378-T381 PolarHBondContact O-N 2.67Å; T381-R383 VanDerWaalsContact C-N 3.29Å; T381-R383 PolarHBondContact O-N 2.7Å; T381-E384 CarbonylContact O-C 3.48Å; T381-E384 PolarHBondContact O-N 3.43Å; T381-A385 WeakPolarHBondContact O-CB 3.2Å; T381-A385 PolarHBondContact O-N 3.05Å; T381-M437 HydrophobicContact CG2-CE 4.22Å
382M90.3Very high86.9Confident0 Ų028.1 Ų28.10%014%0.143CC..Iπ-helixtrans-62.1-38.5178.7-72.3-64.1109.700111.6Y19 L378 E384 G386 L430 S434Y19-M382 VanDerWaalsContact CB-O 3.25Å; Y19-M382 WeakPolarHBondContact CB-O 3.33Å; Y19-M382 HydrophobicContact CD1-CB 4.4Å; Y19-M382 WeakPolarHBondContact O-CB 3.43Å; L378-M382 HydrophobicContact CD1-CE 3.92Å; L378-M382 HydrophobicContact CD1-CG 3.81Å; L378-M382 HydrophobicContact CD1-SD 4.49Å; L378-M382 HydrophobicContact CG-CG 3.91Å; L378-M382 WeakPolarHBondContact O-CB 3.44Å; L378-M382 WeakPolarHBondContact O-CG 3.39Å; L378-M382 PolarHBondContact O-N 2.99Å; M382-E384 VanDerWaalsContact C-N 3.32Å; M382-E384 PolarHBondContact O-N 3.47Å; M382-G386 WeakPolarHBondContact O-CA 3.46Å; M382-G386 PolarHBondContact O-N 3.13Å; M382-L430 HydrophobicContact SD-CD2 4.47Å; M382-S434 WeakPolarHBondContact CE-OG 3.23Å; M382-S434 PolarHBondContact SD-OG 3.43Å; M382-S434 VanDerWaalsContact SD-OG 3.42Å
383R85.9Confident87Confident90 Ų9025.8 Ų25.834%0.3413%0.131SC..Iπ-helixtrans-60.6-40.5176.1-177.4176.7173.7-172.80.3112.7D16 R379 M380 T381 S387D16-R383 HydrophobicContact CB-CG 4.03Å; D16-R383 IonicContact OD2-CZ 3.23Å; D16-R383 IonicContact OD2-NE 3.89Å; D16-R383 PolarHBondContact OD2-NE 3.47Å; D16-R383 IonicContact OD2-NH2 2.65Å; D16-R383 PolarHBondContact OD2-NH2 2.78Å; R379-R383 VanDerWaalsContact O-CB 3.23Å; R379-R383 WeakPolarHBondContact O-CB 3.27Å; R379-R383 PolarHBondContact O-N 3.29Å; M380-R383 PolarHBondContact O-N 2.73Å; T381-R383 VanDerWaalsContact C-N 3.29Å; T381-R383 PolarHBondContact O-N 2.7Å; R383-S387 PolarHBondContact O-OG 3.35Å
384E79.5Confident87Confident59 Ų5927 Ų2728%0.27613%0.133SC..Iπ-helixtrans-85.1-62.6178.2-170.1171175.700112T364 R367 M380 T381 M382 S387T364-E384 HydrophobicContact CG2-CB 4.47Å; T364-E384 HydrophobicContact CG2-CG 4.12Å; R367-E384 IonicContact CZ-OE1 2.82Å; R367-E384 VanDerWaalsContact CZ-OE1 3.25Å; R367-E384 IonicContact CZ-OE2 2.65Å; R367-E384 IonicContact NH1-OE1 3.42Å; R367-E384 PolarHBondContact NH1-OE1 2.83Å; R367-E384 IonicContact NH2-OE1 3.19Å; R367-E384 PolarHBondContact NH2-OE1 3.27Å; R367-E384 IonicContact NH2-OE2 3.93Å; R367-E384 PolarHBondContact NH2-OE2 2.92Å; M380-E384 PolarHBondContact O-N 2.81Å; M380-E384 VanDerWaalsContact O-N 3.15Å; T381-E384 CarbonylContact O-C 3.48Å; T381-E384 PolarHBondContact O-N 3.43Å; M382-E384 VanDerWaalsContact C-N 3.32Å; M382-E384 PolarHBondContact O-N 3.47Å; E384-S387 PolarHBondContact O-OG 3.35Å
385A83.7Confident87Confident1 Ų126.1 Ų26.11%0.00813%0.127CC..Iπ-helixtrans-72.3-40.7-177.500000113.6T364 T381 S387 A388 I389T364-A385 HydrophobicContact CG2-CB 3.94Å; T364-A385 VanDerWaalsContact OG1-CB 3.26Å; T364-A385 WeakPolarHBondContact OG1-CB 3.17Å; T381-A385 WeakPolarHBondContact O-CB 3.2Å; T381-A385 PolarHBondContact O-N 3.05Å; A385-S387 PolarHBondContact O-N 2.81Å; A385-A388 PolarHBondContact O-N 3.35Å; A385-I389 HydrophobicContact CB-CD1 3.96Å; A385-I389 WeakPolarHBondContact O-CB 3.48Å; A385-I389 WeakPolarHBondContact O-CD1 3.43Å; A385-I389 VanDerWaalsContact O-CG1 3.28Å; A385-I389 WeakPolarHBondContact O-CG1 3.12Å; A385-I389 PolarHBondContact O-N 2.97Å
386G86.8Confident87Confident0 Ų023.7 Ų23.70%012%0.116CC..Iπ-helixtrans-58.6-38.7-178.500000112.2Y19 M382 T390Y19-G386 VanDerWaalsContact CE2-C 3.44Å; Y19-G386 WeakPolarHBondContact CE2-O 3.19Å; M382-G386 WeakPolarHBondContact O-CA 3.46Å; M382-G386 PolarHBondContact O-N 3.13Å; G386-T390 PolarHBondContact O-N 3.34Å; G386-T390 PolarHBondContact O-OG1 3.43Å
387S82.1Confident87.1Confident13 Ų1321.6 Ų21.69%0.09111%0.107CC..Hα-helixtrans-64.1-43.4172.767.80000112.9R383 E384 A385 T390 V391R383-S387 PolarHBondContact O-OG 3.35Å; E384-S387 PolarHBondContact O-OG 3.35Å; A385-S387 PolarHBondContact O-N 2.81Å; S387-T390 WeakPolarHBondContact O-CB 3.49Å; S387-T390 PolarHBondContact O-N 2.96Å; S387-V391 WeakPolarHBondContact O-CG2 3.13Å; S387-V391 PolarHBondContact O-N 3.21Å
388A80.7Confident87.1Confident22 Ų2222.6 Ų22.618%0.18212%0.117CC..Hα-helixtrans-67.1-47.3178.900000112.5L360 A385 T390 V391 S392L360-A388 HydrophobicContact CD2-CB 3.96Å; A385-A388 PolarHBondContact O-N 3.35Å; A388-T390 VanDerWaalsContact C-N 3.25Å; A388-T390 PolarHBondContact O-N 3.16Å; A388-V391 WeakPolarHBondContact O-CA 3.33Å; A388-V391 WeakPolarHBondContact O-CB 3.35Å; A388-V391 PolarHBondContact O-N 3.2Å; A388-S392 PolarHBondContact O-N 2.84Å
389I85.2Confident87Confident0 Ų022.6 Ų22.60%012%0.117CC..Hα-helixtrans-57.5-40.1176.1-67.7158.3000110.6D357 L360 A361 A385 V391 S392 S393 F426 H429D357-I389 HydrophobicContact CB-CG1 4.42Å; L360-I389 HydrophobicContact CD2-CG1 4.05Å; A361-I389 HydrophobicContact CB-CD1 4.2Å; A385-I389 HydrophobicContact CB-CD1 3.96Å; A385-I389 WeakPolarHBondContact O-CB 3.48Å; A385-I389 WeakPolarHBondContact O-CD1 3.43Å; A385-I389 VanDerWaalsContact O-CG1 3.28Å; A385-I389 WeakPolarHBondContact O-CG1 3.12Å; A385-I389 PolarHBondContact O-N 2.97Å; I389-V391 PolarHBondContact O-N 2.92Å; I389-S392 PolarHBondContact O-N 3.1Å; I389-S393 PolarHBondContact O-N 3.43Å; I389-S393 PolarHBondContact O-OG 3.49Å; I389-F426 HydrophobicContact CG2-CD2 4.12Å; I389-F426 HydrophobicContact CG2-CE2 4.4Å; I389-H429 VanDerWaalsContact CD1-NE2 3.31Å; I389-H429 WeakPolarHBondContact CD1-NE2 3.34Å
390T87.7Confident86.8Confident11 Ų1120.5 Ų20.57%0.06711%0.109CC..Hα-helixtrans-60-37.4174.5-51.30000112.4Y19 G386 S387 A388 L394 F426Y19-T390 WeakPolarHBondContact CE2-OG1 3.48Å; Y19-T390 PolarHBondContact OH-OG1 3.29Å; G386-T390 PolarHBondContact O-N 3.34Å; G386-T390 PolarHBondContact O-OG1 3.43Å; S387-T390 WeakPolarHBondContact O-CB 3.49Å; S387-T390 PolarHBondContact O-N 2.96Å; A388-T390 VanDerWaalsContact C-N 3.25Å; A388-T390 PolarHBondContact O-N 3.16Å; T390-L394 HydrophobicContact CG2-CD1 3.76Å; T390-L394 HydrophobicContact CG2-CG 4.25Å; T390-L394 WeakPolarHBondContact O-CB 3.38Å; T390-L394 WeakPolarHBondContact O-CD1 3.4Å; T390-L394 WeakPolarHBondContact O-CG 3.01Å; T390-L394 PolarHBondContact O-N 3.25Å; T390-L394 VanDerWaalsContact O-N 3.1Å; T390-F426 HydrophobicContact CG2-CE2 4.41Å; T390-F426 HydrophobicContact CG2-CZ 4.13Å
391V81.5Confident86.9Confident24 Ų2419 Ų1915%0.14511%0.108CC..Hα-helixtrans-68.2-50.4178.5-179.40000109.7S387 A388 I389 L394 T395 F767S387-V391 WeakPolarHBondContact O-CG2 3.13Å; S387-V391 PolarHBondContact O-N 3.21Å; A388-V391 WeakPolarHBondContact O-CA 3.33Å; A388-V391 WeakPolarHBondContact O-CB 3.35Å; A388-V391 PolarHBondContact O-N 3.2Å; I389-V391 PolarHBondContact O-N 2.92Å; V391-L394 PolarHBondContact O-N 2.88Å; V391-T395 WeakPolarHBondContact O-CG2 3.18Å; V391-T395 PolarHBondContact O-N 3.13Å; V391-T395 PolarHBondContact O-OG1 2.95Å; V391-T395 VanDerWaalsContact O-OG1 3.08Å; V391-F767 HydrophobicContact CB-CD2 4.22Å; V391-F767 HydrophobicContact CB-CE2 4.44Å; V391-F767 HydrophobicContact CB-CG 4.36Å; V391-F767 HydrophobicContact CG1-CB 4.35Å; V391-F767 HydrophobicContact CG1-CD2 3.7Å; V391-F767 HydrophobicContact CG1-CE2 4.19Å; V391-F767 HydrophobicContact CG1-CG 4.09Å; V391-F767 HydrophobicContact CG2-CB 3.9Å; V391-F767 HydrophobicContact CG2-CD1 3.37Å; V391-F767 HydrophobicContact CG2-CD2 3.62Å; V391-F767 HydrophobicContact CG2-CE1 3.66Å; V391-F767 HydrophobicContact CG2-CE2 3.92Å; V391-F767 HydrophobicContact CG2-CG 3.35Å; V391-F767 HydrophobicContact CG2-CZ 3.94Å
392S84.1Confident86.9Confident6 Ų619.6 Ų19.64%0.04211%0.111CC..Hα-helixtrans-52.3-63.1174.4-100.70000110.8A388 I389 L394 T395 D396 E816A388-S392 PolarHBondContact O-N 2.84Å; I389-S392 PolarHBondContact O-N 3.1Å; S392-L394 PolarHBondContact O-N 3.34Å; S392-T395 WeakPolarHBondContact CA-OG1 3.22Å; S392-T395 CarbonylContact O-C 3.51Å; S392-T395 WeakPolarHBondContact O-CA 3.5Å; S392-T395 PolarHBondContact O-N 2.65Å; S392-T395 PolarHBondContact O-OG1 3.24Å; S392-D396 PolarHBondContact O-N 2.85Å; S392-E816 WeakPolarHBondContact CB-OE1 3.25Å; S392-E816 PolarHBondContact OG-OE1 2.84Å
393S90Very high86.6Confident2 Ų219.6 Ų19.61%0.01411%0.111CC..Hα-helixtrans-62.5-31.9-172.6-40.70000112.8I389 I397 F426I389-S393 PolarHBondContact O-N 3.43Å; I389-S393 PolarHBondContact O-OG 3.49Å; S393-I397 VanDerWaalsContact O-CB 3.31Å; S393-I397 WeakPolarHBondContact O-CB 3.26Å; S393-I397 WeakPolarHBondContact O-CD1 3.42Å; S393-I397 WeakPolarHBondContact O-CG1 3.19Å; S393-I397 PolarHBondContact O-N 2.73Å; S393-F426 WeakPolarHBondContact OG-CD2 3.35Å
394L88.9Confident86.8Confident69 Ų6918.6 Ų18.636%0.36111%0.112SC..Hα-helixtrans-70.6-35172.9-73.8176.8000112.8T390 V391 S392 A398 M763 F767T390-L394 HydrophobicContact CG2-CD1 3.76Å; T390-L394 HydrophobicContact CG2-CG 4.25Å; T390-L394 WeakPolarHBondContact O-CB 3.38Å; T390-L394 WeakPolarHBondContact O-CD1 3.4Å; T390-L394 WeakPolarHBondContact O-CG 3.01Å; T390-L394 PolarHBondContact O-N 3.25Å; T390-L394 VanDerWaalsContact O-N 3.1Å; V391-L394 PolarHBondContact O-N 2.88Å; S392-L394 PolarHBondContact O-N 3.34Å; L394-A398 WeakPolarHBondContact O-CB 3.1Å; L394-A398 PolarHBondContact O-N 2.7Å; L394-M763 HydrophobicContact CB-CE 3.63Å; L394-F767 HydrophobicContact CD1-CZ 4.12Å
395T87.9Confident87.1Confident3 Ų321.6 Ų21.62%0.01813%0.129CC..Hα-helixtrans-65.2-45.4172.344.70000110.8V391 S392 I397 A398 L399 M760 M763 V815V391-T395 WeakPolarHBondContact O-CG2 3.18Å; V391-T395 PolarHBondContact O-N 3.13Å; V391-T395 PolarHBondContact O-OG1 2.95Å; V391-T395 VanDerWaalsContact O-OG1 3.08Å; S392-T395 WeakPolarHBondContact CA-OG1 3.22Å; S392-T395 CarbonylContact O-C 3.51Å; S392-T395 WeakPolarHBondContact O-CA 3.5Å; S392-T395 PolarHBondContact O-N 2.65Å; S392-T395 PolarHBondContact O-OG1 3.24Å; T395-I397 PolarHBondContact O-N 3.02Å; T395-A398 PolarHBondContact O-N 2.95Å; T395-L399 VanDerWaalsContact O-CB 3.28Å; T395-L399 WeakPolarHBondContact O-CB 3.45Å; T395-L399 PolarHBondContact O-N 2.88Å; T395-M760 HydrophobicContact CG2-SD 3.95Å; T395-M760 WeakPolarHBondContact O-CE 3.24Å; T395-M763 HydrophobicContact CG2-CB 3.7Å; T395-M763 HydrophobicContact CG2-CE 4.38Å; T395-M763 HydrophobicContact CG2-CG 4.2Å; T395-V815 HydrophobicContact CG2-CG1 4.39Å
396D89.7Confident87.1Confident1 Ų121.6 Ų21.61%0.00513%0.129CC..Hα-helixtrans-64.2-47-178.3-44.4-8.7000110S392 A398 L399 F400 M422 D812S392-D396 PolarHBondContact O-N 2.85Å; D396-A398 VanDerWaalsContact C-N 3.32Å; D396-A398 PolarHBondContact O-N 3.16Å; D396-L399 PolarHBondContact O-N 3.34Å; D396-F400 HydrophobicContact CB-CD2 4.44Å; D396-F400 HydrophobicContact CB-CE2 4.33Å; D396-F400 WeakPolarHBondContact O-CD2 3.29Å; D396-F400 PolarHBondContact O-N 2.94Å; D396-M422 HydrophobicContact CB-CB 4.32Å; D396-M422 HydrophobicContact CB-CG 4.05Å; D396-D812 WeakPolarHBondContact CA-OD1 3.3Å
397I92.4Very high86.9Confident42 Ų4223.9 Ų23.922%0.21514%0.141CC..Hα-helixtrans-60.4-42.3176.5-67.4162.5000110.9S393 T395 G401 M422 L423S393-I397 VanDerWaalsContact O-CB 3.31Å; S393-I397 WeakPolarHBondContact O-CB 3.26Å; S393-I397 WeakPolarHBondContact O-CD1 3.42Å; S393-I397 WeakPolarHBondContact O-CG1 3.19Å; S393-I397 PolarHBondContact O-N 2.73Å; T395-I397 PolarHBondContact O-N 3.02Å; I397-G401 WeakPolarHBondContact O-CA 3.36Å; I397-G401 PolarHBondContact O-N 3.43Å; I397-M422 HydrophobicContact CG1-CB 3.94Å; I397-L423 HydrophobicContact CD1-CB 4.03Å; I397-L423 HydrophobicContact CD1-CD1 4.07Å; I397-L423 HydrophobicContact CG1-CB 4.45Å
398A90.4Very high87.1Confident29 Ų2923.3 Ų23.324%0.2414%0.138CC..Hα-helixtrans-67.1-41.5178.400000111.6L394 T395 D396 G401 I402 M760L394-A398 WeakPolarHBondContact O-CB 3.1Å; L394-A398 PolarHBondContact O-N 2.7Å; T395-A398 PolarHBondContact O-N 2.95Å; D396-A398 VanDerWaalsContact C-N 3.32Å; D396-A398 PolarHBondContact O-N 3.16Å; A398-G401 CarbonylContact O-C 3.47Å; A398-G401 WeakPolarHBondContact O-CA 3.44Å; A398-G401 PolarHBondContact O-N 3.17Å; A398-I402 WeakPolarHBondContact O-CG1 3.47Å; A398-I402 PolarHBondContact O-N 3.45Å; A398-M760 HydrophobicContact CB-CE 4.27Å
399L89.8Confident87.4Confident0 Ų023.6 Ų23.60%014%0.138CC..Hα-helixtrans-62.5-54.1179.2-172.982.3000111.4T395 D396 G401 I402 M760 I808 L811 D812T395-L399 VanDerWaalsContact O-CB 3.28Å; T395-L399 WeakPolarHBondContact O-CB 3.45Å; T395-L399 PolarHBondContact O-N 2.88Å; D396-L399 PolarHBondContact O-N 3.34Å; L399-G401 PolarHBondContact O-N 2.87Å; L399-I402 WeakPolarHBondContact O-CB 3.16Å; L399-I402 PolarHBondContact O-N 2.95Å; L399-I402 VanDerWaalsContact O-N 3.1Å; L399-M760 HydrophobicContact CB-CE 3.92Å; L399-M760 HydrophobicContact CD1-CE 4.05Å; L399-M760 HydrophobicContact CD1-CG 4.14Å; L399-M760 HydrophobicContact CD1-SD 4.26Å; L399-I808 WeakPolarHBondContact CD2-O 3.49Å; L399-I808 HydrophobicContact CG-CG2 4.36Å; L399-L811 HydrophobicContact CD1-CB 3.45Å; L399-L811 VanDerWaalsContact CD1-CB 3.45Å; L399-L811 HydrophobicContact CD1-CD1 3.67Å; L399-L811 HydrophobicContact CD1-CG 4.17Å; L399-L811 HydrophobicContact CD2-CB 4.02Å; L399-L811 HydrophobicContact CG-CB 4.33Å; L399-D812 HydrophobicContact CD2-CB 3.63Å
400F89.5Confident87.5Confident2 Ų223.6 Ų23.61%0.00914%0.138CC..Hα-helixtrans-64.6-30174.3-65.8-62.2000110.9L349 I353 D396 I402 G403 F414 S415 T418 A419 M422 M809L349-F400 HydrophobicContact CD2-CE1 4.04Å; L349-F400 HydrophobicContact CD2-CZ 3.68Å; I353-F400 HydrophobicContact CD1-CE2 4.42Å; D396-F400 HydrophobicContact CB-CD2 4.44Å; D396-F400 HydrophobicContact CB-CE2 4.33Å; D396-F400 WeakPolarHBondContact O-CD2 3.29Å; D396-F400 PolarHBondContact O-N 2.94Å; F400-I402 VanDerWaalsContact C-N 3.29Å; F400-I402 PolarHBondContact O-N 3.46Å; F400-G403 PolarHBondContact O-N 3.3Å; F400-G403 VanDerWaalsContact O-N 3.11Å; F400-F414 HydrophobicContact CD1-CE1 4.47Å; F400-F414 HydrophobicContact CE1-CE1 4.44Å; F400-S415 VanDerWaalsContact O-CB 3.26Å; F400-S415 WeakPolarHBondContact O-CB 3.25Å; F400-T418 HydrophobicContact CD1-CG2 3.65Å; F400-T418 HydrophobicContact CD2-CG2 3.68Å; F400-T418 HydrophobicContact CE1-CG2 3.63Å; F400-T418 HydrophobicContact CE2-CG2 3.68Å; F400-T418 HydrophobicContact CG-CG2 3.72Å; F400-T418 HydrophobicContact CZ-CG2 3.68Å; F400-A419 HydrophobicContact CB-CB 3.82Å; F400-M422 HydrophobicContact CD2-CG 4.11Å; F400-M422 HydrophobicContact CE2-CE 4.45Å; F400-M422 HydrophobicContact CE2-CG 4.2Å; F400-M809 HydrophobicContact CE1-CB 4.38Å; F400-M809 HydrophobicContact CE1-CG 4.46Å; F400-M809 HydrophobicContact CZ-CG 4.42Å
401G89.9Confident87.5Confident25 Ų2523.1 Ų23.126%0.25814%0.135SC..Hα-helixtrans-58.9-34.7171.500000114I397 A398 L399 G403 I404I397-G401 WeakPolarHBondContact O-CA 3.36Å; I397-G401 PolarHBondContact O-N 3.43Å; A398-G401 CarbonylContact O-C 3.47Å; A398-G401 WeakPolarHBondContact O-CA 3.44Å; A398-G401 PolarHBondContact O-N 3.17Å; L399-G401 PolarHBondContact O-N 2.87Å; G401-G403 VanDerWaalsContact C-N 3.28Å; G401-G403 PolarHBondContact O-N 3.31Å; G401-I404 VanDerWaalsContact O-CB 3.29Å; G401-I404 WeakPolarHBondContact O-CB 3.3Å; G401-I404 WeakPolarHBondContact O-CG1 2.95Å; G401-I404 PolarHBondContact O-N 2.91Å
402I88.5Confident88Confident12 Ų1224.8 Ų24.86%0.06214%0.14CC..Hα-helixtrans-65.5-33.4176-66.6162.2000111A398 L399 F400 I404 L405 I755 C759A398-I402 WeakPolarHBondContact O-CG1 3.47Å; A398-I402 PolarHBondContact O-N 3.45Å; L399-I402 WeakPolarHBondContact O-CB 3.16Å; L399-I402 PolarHBondContact O-N 2.95Å; L399-I402 VanDerWaalsContact O-N 3.1Å; F400-I402 VanDerWaalsContact C-N 3.29Å; F400-I402 PolarHBondContact O-N 3.46Å; I402-I404 PolarHBondContact O-N 2.67Å; I402-L405 VanDerWaalsContact O-CB 3.29Å; I402-L405 WeakPolarHBondContact O-CB 3.29Å; I402-L405 PolarHBondContact O-N 3.34Å; I402-I755 HydrophobicContact CD1-CG2 4.13Å; I402-I755 HydrophobicContact CG1-CG2 4.22Å; I402-I755 HydrophobicContact CG2-CB 4.38Å; I402-I755 HydrophobicContact CG2-CG2 4.02Å; I402-C759 HydrophobicContact CD1-CB 3.62Å
403G85.3Confident88.4Confident0 Ų025.4 Ų25.40%014%0.143CC..Hα-helixtrans-63.2-20176.300000114F400 G401 L405 S406 S415F400-G403 PolarHBondContact O-N 3.3Å; F400-G403 VanDerWaalsContact O-N 3.11Å; G401-G403 VanDerWaalsContact C-N 3.28Å; G401-G403 PolarHBondContact O-N 3.31Å; G403-L405 PolarHBondContact O-N 3.01Å; G403-S406 VanDerWaalsContact O-CB 3.29Å; G403-S406 WeakPolarHBondContact O-CB 3.42Å; G403-S406 PolarHBondContact O-N 3.2Å; G403-S415 VanDerWaalsContact CA-OG 3.29Å; G403-S415 WeakPolarHBondContact CA-OG 3.34Å
404I89.3Confident88.5Confident69 Ų6925.5 Ų25.535%0.35414%0.143SC..THydrogen-bonded Turntrans-68.1-25.6173.1-54178.9000111.5G401 I402 S406 K412 I416G401-I404 VanDerWaalsContact O-CB 3.29Å; G401-I404 WeakPolarHBondContact O-CB 3.3Å; G401-I404 WeakPolarHBondContact O-CG1 2.95Å; G401-I404 PolarHBondContact O-N 2.91Å; I402-I404 PolarHBondContact O-N 2.67Å; I404-S406 VanDerWaalsContact C-N 3.28Å; I404-S406 PolarHBondContact O-N 3.1Å; I404-K412 WeakPolarHBondContact O-CG 3.27Å; I404-I416 HydrophobicContact CD1-CG1 3.83Å; I404-I416 HydrophobicContact CG1-CG1 3.96Å
405L84.9Confident88.7Confident122 Ų12222.4 Ų22.464%0.63913%0.128SC*.THydrogen-bonded Turntrans-78.3-11.3177.2-55.8176.2000112.9I402 G403I402-L405 VanDerWaalsContact O-CB 3.29Å; I402-L405 WeakPolarHBondContact O-CB 3.29Å; I402-L405 PolarHBondContact O-N 3.34Å; G403-L405 PolarHBondContact O-N 3.01Å
406S84Confident89.1Confident2 Ų224.5 Ų24.51%0.01414%0.138CC..SBendtrans-63.6136.3178.3175.20000111.3G403 I404 T408 K412 M804G403-S406 VanDerWaalsContact O-CB 3.29Å; G403-S406 WeakPolarHBondContact O-CB 3.42Å; G403-S406 PolarHBondContact O-N 3.2Å; I404-S406 VanDerWaalsContact C-N 3.28Å; I404-S406 PolarHBondContact O-N 3.1Å; S406-T408 PolarHBondContact O-N 3.21Å; S406-T408 VanDerWaalsContact O-N 3.12Å; S406-T408 PolarHBondContact OG-N 2.92Å; S406-K412 WeakPolarHBondContact O-CE 3.38Å; S406-K412 VanDerWaalsContact O-CG 3.28Å; S406-K412 WeakPolarHBondContact O-CG 3.17Å; S406-M804 WeakPolarHBondContact OG-CE 3.44Å
407D83.2Confident89.4Confident47 Ų4724.5 Ų24.525%0.25114%0.138SC..SBendtrans-65.5-13.4176.3-74.1-32.4000114.6P63 V64 N65 P409P63-D407 CarbonylContact C-O 3.34Å; P63-D407 WeakPolarHBondContact CA-O 3.49Å; P63-D407 HydrophobicContact CB-CB 4.01Å; V64-D407 WeakPolarHBondContact CG2-O 3.33Å; V64-D407 PolarHBondContact N-O 3.44Å; N65-D407 PolarHBondContact ND2-OD1 2.89Å; D407-P409 WeakPolarHBondContact O-CD 3.28Å
408T85.9Confident89.5Confident2 Ų222.5 Ų22.51%0.01213%0.128CC..  trans-89114.9-177.4-53.80000111.1L60 S406 A410 I411 K412 P801L60-T408 WeakPolarHBondContact O-CG2 3.41Å; S406-T408 PolarHBondContact O-N 3.21Å; S406-T408 VanDerWaalsContact O-N 3.12Å; S406-T408 PolarHBondContact OG-N 2.92Å; T408-A410 VanDerWaalsContact C-N 3.31Å; T408-A410 HydrophobicContact CG2-CB 4.28Å; T408-A410 PolarHBondContact O-N 2.94Å; T408-I411 HydrophobicContact CG2-CD1 4.23Å; T408-I411 HydrophobicContact CG2-CG1 3.97Å; T408-I411 WeakPolarHBondContact O-CB 3.29Å; T408-I411 PolarHBondContact O-N 3.31Å; T408-K412 PolarHBondContact O-N 3.47Å; T408-P801 HydrophobicContact CG2-CB 4.42Å
409P88Confident89.7Confident28 Ų2821.7 Ų21.718%0.18212%0.121CC..Hα-helixtrans-56.7-37.2-175.1-2835.9000115.1L60 T62 V64 D407 I411 K412 V413L60-P409 WeakPolarHBondContact O-CD 3.34Å; T62-P409 WeakPolarHBondContact O-CD 3.48Å; V64-P409 HydrophobicContact CG2-CG 3.83Å; D407-P409 WeakPolarHBondContact O-CD 3.28Å; P409-I411 PolarHBondContact O-N 3.42Å; P409-K412 WeakPolarHBondContact O-CB 2.65Å; P409-K412 PolarHBondContact O-N 2.83Å; P409-K412 VanDerWaalsContact O-N 3.17Å; P409-V413 WeakPolarHBondContact O-CG2 3.43Å; P409-V413 PolarHBondContact O-N 3.2Å
410A87.4Confident90.1Very high0 Ų022.8 Ų22.80%013%0.128CC..Hα-helixtrans-53.6-43.417500000112.4L60 Y61 N340 I342 T408 F414L60-A410 HydrophobicContact CB-CB 4.2Å; L60-A410 VanDerWaalsContact O-CB 3.27Å; L60-A410 WeakPolarHBondContact O-CB 3.29Å; L60-A410 PolarHBondContact O-N 3.02Å; Y61-A410 HydrophobicContact CD1-CB 4.39Å; Y61-A410 HydrophobicContact CE1-CB 4.21Å; N340-A410 PolarHBondContact ND2-O 2.86Å; I342-A410 HydrophobicContact CD1-CB 3.76Å; T408-A410 VanDerWaalsContact C-N 3.31Å; T408-A410 HydrophobicContact CG2-CB 4.28Å; T408-A410 PolarHBondContact O-N 2.94Å; A410-F414 WeakPolarHBondContact O-CB 3.29Å; A410-F414 PolarHBondContact O-N 3.23Å
411I87.8Confident90.4Very high1 Ų122.7 Ų22.71%0.00513%0.127CC..Hα-helixtrans-69.7-43.1179.9-54.4-171.1000110T408 P409 V413 F414 S415 P801 M804 I805T408-I411 HydrophobicContact CG2-CD1 4.23Å; T408-I411 HydrophobicContact CG2-CG1 3.97Å; T408-I411 WeakPolarHBondContact O-CB 3.29Å; T408-I411 PolarHBondContact O-N 3.31Å; P409-I411 PolarHBondContact O-N 3.42Å; I411-V413 PolarHBondContact O-N 3.41Å; I411-F414 PolarHBondContact O-N 3.4Å; I411-S415 WeakPolarHBondContact O-CB 3.1Å; I411-S415 PolarHBondContact O-N 3.17Å; I411-S415 PolarHBondContact O-OG 3.45Å; I411-P801 HydrophobicContact CD1-CB 4.1Å; I411-M804 HydrophobicContact CD1-CE 3.28Å; I411-M804 HydrophobicContact CD1-SD 3.89Å; I411-M804 HydrophobicContact CG2-CE 4.09Å; I411-I805 HydrophobicContact CB-CD1 4.34Å; I411-I805 HydrophobicContact CB-CG1 4.13Å; I411-I805 HydrophobicContact CD1-CG1 4.13Å; I411-I805 HydrophobicContact CG1-CD1 3.81Å; I411-I805 HydrophobicContact CG1-CG1 3.74Å; I411-I805 HydrophobicContact CG2-CG1 3.85Å
412K91.3Very high90.7Very high58 Ų5821.6 Ų21.625%0.25212%0.116SC..Hα-helixtrans-57.3-49.8175.4-60.3-171-179.1-177.30111.4I404 S406 T408 P409 S415 I416I404-K412 WeakPolarHBondContact O-CG 3.27Å; S406-K412 WeakPolarHBondContact O-CE 3.38Å; S406-K412 VanDerWaalsContact O-CG 3.28Å; S406-K412 WeakPolarHBondContact O-CG 3.17Å; T408-K412 PolarHBondContact O-N 3.47Å; P409-K412 WeakPolarHBondContact O-CB 2.65Å; P409-K412 PolarHBondContact O-N 2.83Å; P409-K412 VanDerWaalsContact O-N 3.17Å; K412-S415 WeakPolarHBondContact O-CB 3.39Å; K412-S415 PolarHBondContact O-N 3.2Å; K412-I416 VanDerWaalsContact O-CG1 3.25Å; K412-I416 WeakPolarHBondContact O-CG1 3.43Å; K412-I416 PolarHBondContact O-N 3.49Å
413V93Very high91Very high20 Ų2024.6 Ų24.612%0.12113%0.132CC..Hα-helixtrans-63.8-49.7-178.8174.20000110.6V337 P338 V343 P409 I411 S415 I416 Y417V337-V413 HydrophobicContact CG1-CG1 4.29Å; P338-V413 WeakPolarHBondContact O-CG1 3.26Å; V343-V413 HydrophobicContact CG2-CG1 3.99Å; P409-V413 WeakPolarHBondContact O-CG2 3.43Å; P409-V413 PolarHBondContact O-N 3.2Å; I411-V413 PolarHBondContact O-N 3.41Å; V413-S415 PolarHBondContact O-N 3.5Å; V413-I416 PolarHBondContact O-N 3.37Å; V413-Y417 HydrophobicContact CG1-CD2 3.8Å; V413-Y417 HydrophobicContact CG1-CE2 3.8Å; V413-Y417 WeakPolarHBondContact O-CD2 3.22Å; V413-Y417 PolarHBondContact O-N 3.37Å
414F92.2Very high91.6Very high3 Ų325.4 Ų25.41%0.01314%0.135CC..Hα-helixtrans-52.7-45175.1169.8-93.1000112.2I342 V343 T346 F400 A410 I411 Y417 T418 I805I342-F414 HydrophobicContact CG2-CB 4.44Å; I342-F414 HydrophobicContact CG2-CD2 3.9Å; I342-F414 HydrophobicContact CG2-CG 4.33Å; V343-F414 HydrophobicContact CG2-CB 4.45Å; T346-F414 WeakPolarHBondContact OG1-CE2 3.31Å; F400-F414 HydrophobicContact CD1-CE1 4.47Å; F400-F414 HydrophobicContact CE1-CE1 4.44Å; A410-F414 WeakPolarHBondContact O-CB 3.29Å; A410-F414 PolarHBondContact O-N 3.23Å; I411-F414 PolarHBondContact O-N 3.4Å; F414-Y417 PolarHBondContact O-N 2.97Å; F414-T418 WeakPolarHBondContact O-CB 3.23Å; F414-T418 PolarHBondContact O-N 3.49Å; F414-T418 PolarHBondContact O-OG1 3Å; F414-I805 HydrophobicContact CB-CD1 4.35Å; F414-I805 HydrophobicContact CD1-CD1 4.31Å; F414-I805 HydrophobicContact CD1-CG1 4.3Å; F414-I805 HydrophobicContact CD1-CG2 3.5Å; F414-I805 VanDerWaalsContact CD1-CG2 3.5Å; F414-I805 HydrophobicContact CE1-CG2 3.23Å; F414-I805 HydrophobicContact CE2-CG2 4.4Å; F414-I805 HydrophobicContact CG-CD1 4.3Å; F414-I805 HydrophobicContact CG-CG2 4.21Å; F414-I805 HydrophobicContact CZ-CG2 3.73Å
415S93.2Very high91.9Very high5 Ų522.3 Ų22.34%0.03512%0.119CC..Hα-helixtrans-65.3-42.1-179.1-63.90000112.4F400 G403 I411 K412 V413 T418 A419F400-S415 VanDerWaalsContact O-CB 3.26Å; F400-S415 WeakPolarHBondContact O-CB 3.25Å; G403-S415 VanDerWaalsContact CA-OG 3.29Å; G403-S415 WeakPolarHBondContact CA-OG 3.34Å; I411-S415 WeakPolarHBondContact O-CB 3.1Å; I411-S415 PolarHBondContact O-N 3.17Å; I411-S415 PolarHBondContact O-OG 3.45Å; K412-S415 WeakPolarHBondContact O-CB 3.39Å; K412-S415 PolarHBondContact O-N 3.2Å; V413-S415 PolarHBondContact O-N 3.5Å; S415-T418 PolarHBondContact O-N 2.88Å; S415-A419 WeakPolarHBondContact O-CB 3.22Å; S415-A419 PolarHBondContact O-N 2.83Å
416I95.4Very high92.4Very high47 Ų4718 Ų1824%0.24110%0.095CC..Hα-helixtrans-61.9-47.5175.5-69.8163.7000110.9L332 I404 K412 V413 T418 T420L332-I416 HydrophobicContact CD1-CG2 4.09Å; L332-I416 HydrophobicContact CD2-CG2 3.61Å; I404-I416 HydrophobicContact CD1-CG1 3.83Å; I404-I416 HydrophobicContact CG1-CG1 3.96Å; K412-I416 VanDerWaalsContact O-CG1 3.25Å; K412-I416 WeakPolarHBondContact O-CG1 3.43Å; K412-I416 PolarHBondContact O-N 3.49Å; V413-I416 PolarHBondContact O-N 3.37Å; I416-T418 VanDerWaalsContact C-N 3.33Å; I416-T418 PolarHBondContact O-N 3.17Å; I416-T420 VanDerWaalsContact O-CB 3.26Å; I416-T420 WeakPolarHBondContact O-CB 3.43Å; I416-T420 PolarHBondContact O-N 3.17Å; I416-T420 PolarHBondContact O-OG1 2.89Å
417Y95.8Very high93Very high1 Ų120.6 Ų20.60%0.00411%0.109CC..Hα-helixtrans-60.3-44178.3-89.2-90.5000112.1S328 F329 L332 V337 V343 V413 F414 A421S328-Y417 PolarHBondContact OG-O 2.93Å; F329-Y417 HydrophobicContact CD1-CD1 4.41Å; F329-Y417 HydrophobicContact CD1-CE1 4.14Å; F329-Y417 HydrophobicContact CD2-CD1 4.04Å; F329-Y417 HydrophobicContact CD2-CE1 4.39Å; F329-Y417 HydrophobicContact CE1-CD1 4.4Å; F329-Y417 HydrophobicContact CE1-CE1 4.41Å; F329-Y417 HydrophobicContact CE2-CD1 4.01Å; F329-Y417 HydrophobicContact CG-CD1 4.24Å; F329-Y417 HydrophobicContact CG-CE1 4.13Å; F329-Y417 HydrophobicContact CZ-CD1 4.19Å; L332-Y417 HydrophobicContact CB-CD1 4.43Å; L332-Y417 HydrophobicContact CB-CE1 3.86Å; L332-Y417 HydrophobicContact CB-CE2 4.38Å; L332-Y417 VanDerWaalsContact CD1-CA 3.48Å; L332-Y417 HydrophobicContact CD1-CD1 3.45Å; L332-Y417 VanDerWaalsContact CD1-CD1 3.45Å; L332-Y417 HydrophobicContact CD1-CD2 3.89Å; L332-Y417 HydrophobicContact CD1-CE1 3.75Å; L332-Y417 HydrophobicContact CD1-CE2 4.17Å; L332-Y417 HydrophobicContact CD1-CG 3.52Å; L332-Y417 HydrophobicContact CG-CE1 4.47Å; V337-Y417 HydrophobicContact CB-CE2 4.43Å; V337-Y417 HydrophobicContact CG1-CD2 4.49Å; V337-Y417 HydrophobicContact CG1-CE2 3.81Å; V337-Y417 PolarHBondContact O-OH 3.05Å; V343-Y417 HydrophobicContact CB-CG 4.49Å; V343-Y417 HydrophobicContact CG1-CD1 3.6Å; V343-Y417 HydrophobicContact CG1-CD2 3.92Å; V343-Y417 HydrophobicContact CG1-CE1 4.13Å; V343-Y417 HydrophobicContact CG1-CE2 4.42Å; V343-Y417 HydrophobicContact CG1-CG 3.49Å; V343-Y417 VanDerWaalsContact CG1-CG 3.49Å; V343-Y417 HydrophobicContact CG2-CD2 3.75Å; V343-Y417 HydrophobicContact CG2-CE2 4.35Å; V343-Y417 HydrophobicContact CG2-CG 4.04Å; V413-Y417 HydrophobicContact CG1-CD2 3.8Å; V413-Y417 HydrophobicContact CG1-CE2 3.8Å; V413-Y417 WeakPolarHBondContact O-CD2 3.22Å; V413-Y417 PolarHBondContact O-N 3.37Å; F414-Y417 PolarHBondContact O-N 2.97Å; Y417-A421 WeakPolarHBondContact O-CB 3.21Å; Y417-A421 PolarHBondContact O-N 3.17Å
418T94.7Very high93.6Very high0 Ų018.4 Ų18.40%010%0.097CC..Hα-helixtrans-72.9-46.8-177.1-51.50000111.6T346 L349 F400 F414 S415 I416 T420 A421 M422T346-T418 HydrophobicContact CG2-CG2 4.34Å; T346-T418 WeakPolarHBondContact CG2-OG1 3.26Å; T346-T418 PolarHBondContact OG1-OG1 3.41Å; L349-T418 HydrophobicContact CD2-CG2 3.71Å; F400-T418 HydrophobicContact CD1-CG2 3.65Å; F400-T418 HydrophobicContact CD2-CG2 3.68Å; F400-T418 HydrophobicContact CE1-CG2 3.63Å; F400-T418 HydrophobicContact CE2-CG2 3.68Å; F400-T418 HydrophobicContact CG-CG2 3.72Å; F400-T418 HydrophobicContact CZ-CG2 3.68Å; F414-T418 WeakPolarHBondContact O-CB 3.23Å; F414-T418 PolarHBondContact O-N 3.49Å; F414-T418 PolarHBondContact O-OG1 3Å; S415-T418 PolarHBondContact O-N 2.88Å; I416-T418 VanDerWaalsContact C-N 3.33Å; I416-T418 PolarHBondContact O-N 3.17Å; T418-T420 VanDerWaalsContact C-N 3.29Å; T418-T420 PolarHBondContact O-N 2.86Å; T418-A421 WeakPolarHBondContact O-CB 3.4Å; T418-A421 PolarHBondContact O-N 3.31Å; T418-A421 VanDerWaalsContact O-N 3.08Å; T418-M422 HydrophobicContact CG2-CE 3.62Å; T418-M422 WeakPolarHBondContact O-CG 3.24Å; T418-M422 PolarHBondContact O-N 3.1Å
419A95.5Very high94Very high11 Ų1118.3 Ų18.39%0.09110%0.096CC..Hα-helixtrans-59.5-39.8175.600000112.2F400 S415 M422 L423F400-A419 HydrophobicContact CB-CB 3.82Å; S415-A419 WeakPolarHBondContact O-CB 3.22Å; S415-A419 PolarHBondContact O-N 2.83Å; A419-M422 PolarHBondContact O-N 3.23Å; A419-L423 WeakPolarHBondContact O-CB 3.33Å; A419-L423 PolarHBondContact O-N 3.17Å
420T97Very high94.3Very high23 Ų2317.8 Ų17.814%0.1419%0.092CC..Hα-helixtrans-68.6-35.9176.6-53.40000111.4S328 L331 L332 I416 T418 L423 F424S328-T420 WeakPolarHBondContact OG-CB 3.38Å; L331-T420 HydrophobicContact CD2-CG2 4.2Å; L332-T420 HydrophobicContact CD1-CG2 4.41Å; L332-T420 HydrophobicContact CG-CG2 4.44Å; I416-T420 VanDerWaalsContact O-CB 3.26Å; I416-T420 WeakPolarHBondContact O-CB 3.43Å; I416-T420 PolarHBondContact O-N 3.17Å; I416-T420 PolarHBondContact O-OG1 2.89Å; T418-T420 VanDerWaalsContact C-N 3.29Å; T418-T420 PolarHBondContact O-N 2.86Å; T420-L423 PolarHBondContact O-N 3.36Å; T420-F424 HydrophobicContact CG2-CD2 3.89Å; T420-F424 HydrophobicContact CG2-CE2 3.68Å; T420-F424 VanDerWaalsContact O-CD2 3.23Å; T420-F424 WeakPolarHBondContact O-CD2 3.47Å; T420-F424 PolarHBondContact O-N 3.42Å
421A96.8Very high94.6Very high0 Ų018.8 Ų18.80%010%0.098CC..Hα-helixtrans-63.6-45.8173.600000111.6S328 T346 A350 Y417 T418 L423 F424 D425S328-A421 PolarHBondContact OG-N 3.16Å; T346-A421 HydrophobicContact CG2-CB 4.28Å; A350-A421 HydrophobicContact CB-CB 4.1Å; Y417-A421 WeakPolarHBondContact O-CB 3.21Å; Y417-A421 PolarHBondContact O-N 3.17Å; T418-A421 WeakPolarHBondContact O-CB 3.4Å; T418-A421 PolarHBondContact O-N 3.31Å; T418-A421 VanDerWaalsContact O-N 3.08Å; A421-L423 VanDerWaalsContact C-N 3.32Å; A421-L423 PolarHBondContact O-N 3.32Å; A421-F424 PolarHBondContact O-N 3.27Å; A421-D425 WeakPolarHBondContact O-CB 3.2Å; A421-D425 PolarHBondContact O-N 3.38Å
422M94.8Very high95Very high2 Ų219 Ų191%0.0110%0.099CC..Hα-helixtrans-64.5-36.6176.5-56.9-43.1143.300112.3L349 A350 I353 D396 I397 F400 T418 A419 F424 D425 F426L349-M422 HydrophobicContact CG-CE 4.34Å; A350-M422 HydrophobicContact CB-CE 3.95Å; I353-M422 HydrophobicContact CB-SD 4.06Å; I353-M422 HydrophobicContact CD1-CE 3.65Å; I353-M422 HydrophobicContact CD1-SD 3.72Å; I353-M422 HydrophobicContact CG1-SD 4.5Å; I353-M422 HydrophobicContact CG2-SD 3.89Å; D396-M422 HydrophobicContact CB-CB 4.32Å; D396-M422 HydrophobicContact CB-CG 4.05Å; I397-M422 HydrophobicContact CG1-CB 3.94Å; F400-M422 HydrophobicContact CD2-CG 4.11Å; F400-M422 HydrophobicContact CE2-CE 4.45Å; F400-M422 HydrophobicContact CE2-CG 4.2Å; T418-M422 HydrophobicContact CG2-CE 3.62Å; T418-M422 WeakPolarHBondContact O-CG 3.24Å; T418-M422 PolarHBondContact O-N 3.1Å; A419-M422 PolarHBondContact O-N 3.23Å; M422-F424 PolarHBondContact O-N 2.96Å; M422-D425 PolarHBondContact O-N 3.5Å; M422-F426 WeakPolarHBondContact O-CB 3.28Å; M422-F426 PolarHBondContact O-N 3.03Å
423L96.3Very high95.1Very high76 Ų7616.3 Ų16.340%0.3989%0.087SC..Hα-helixtrans-60.1-46.3173.217764.2000112.1I397 A419 T420 A421 I427I397-L423 HydrophobicContact CD1-CB 4.03Å; I397-L423 HydrophobicContact CD1-CD1 4.07Å; I397-L423 HydrophobicContact CG1-CB 4.45Å; A419-L423 WeakPolarHBondContact O-CB 3.33Å; A419-L423 PolarHBondContact O-N 3.17Å; T420-L423 PolarHBondContact O-N 3.36Å; A421-L423 VanDerWaalsContact C-N 3.32Å; A421-L423 PolarHBondContact O-N 3.32Å; L423-I427 HydrophobicContact CD1-CD1 4.22Å; L423-I427 HydrophobicContact CG-CD1 4.12Å; L423-I427 VanDerWaalsContact O-CG1 3.27Å; L423-I427 WeakPolarHBondContact O-CG1 3.49Å; L423-I427 PolarHBondContact O-N 2.65Å; L423-I427 VanDerWaalsContact O-N 3.1Å
424F97.6Very high95.2Very high17 Ų1715.3 Ų15.38%0.0758%0.081CC..Hα-helixtrans-71.1-34.5177.3-79.5-65.1000112.8L44 A324 L331 T420 A421 M422 I427 Y428L44-F424 HydrophobicContact CD1-CD1 4.37Å; L44-F424 HydrophobicContact CD1-CE1 3.42Å; L44-F424 VanDerWaalsContact CD1-CE1 3.42Å; L44-F424 HydrophobicContact CD1-CE2 4.27Å; L44-F424 HydrophobicContact CD1-CZ 3.36Å; A324-F424 HydrophobicContact CB-CB 3.92Å; L331-F424 HydrophobicContact CB-CE2 4.35Å; L331-F424 HydrophobicContact CD2-CE2 3.87Å; L331-F424 HydrophobicContact CD2-CZ 3.93Å; T420-F424 HydrophobicContact CG2-CD2 3.89Å; T420-F424 HydrophobicContact CG2-CE2 3.68Å; T420-F424 VanDerWaalsContact O-CD2 3.23Å; T420-F424 WeakPolarHBondContact O-CD2 3.47Å; T420-F424 PolarHBondContact O-N 3.42Å; A421-F424 PolarHBondContact O-N 3.27Å; M422-F424 PolarHBondContact O-N 2.96Å; F424-I427 HydrophobicContact CD1-CD1 4.37Å; F424-I427 PolarHBondContact O-N 3.16Å; F424-Y428 HydrophobicContact CB-CD2 4.33Å; F424-Y428 HydrophobicContact CB-CE2 4.14Å; F424-Y428 HydrophobicContact CD1-CE2 4.26Å; F424-Y428 WeakPolarHBondContact O-CB 3.49Å; F424-Y428 WeakPolarHBondContact O-CD2 3.35Å; F424-Y428 PolarHBondContact O-N 3.33Å
425D95.6Very high95.3Very high3 Ų315.2 Ų15.22%0.0168%0.081CC..Hα-helixtrans-61.2-47.3175.8-165.483.2000110.2S321 A324 G354 A421 M422 I427 Y428 H429S321-D425 WeakPolarHBondContact CA-OD1 3.08Å; S321-D425 PolarHBondContact OG-OD1 2.88Å; A324-D425 HydrophobicContact CB-CB 3.85Å; G354-D425 VanDerWaalsContact CA-CG 3.44Å; G354-D425 WeakPolarHBondContact CA-OD1 3.32Å; G354-D425 WeakPolarHBondContact CA-OD2 3.48Å; A421-D425 WeakPolarHBondContact O-CB 3.2Å; A421-D425 PolarHBondContact O-N 3.38Å; M422-D425 PolarHBondContact O-N 3.5Å; D425-I427 PolarHBondContact O-N 3.17Å; D425-Y428 PolarHBondContact O-N 2.86Å; D425-H429 VanDerWaalsContact O-CB 3.3Å; D425-H429 WeakPolarHBondContact O-CB 3.05Å; D425-H429 PolarHBondContact O-N 3.38Å
426F95.2Very high95.3Very high31 Ų3115 Ų1514%0.1368%0.079CC..Hα-helixtrans-55.4-48.7171.9176.8-119000113.4I389 T390 S393 M422 Y428 H429 L430I389-F426 HydrophobicContact CG2-CD2 4.12Å; I389-F426 HydrophobicContact CG2-CE2 4.4Å; T390-F426 HydrophobicContact CG2-CE2 4.41Å; T390-F426 HydrophobicContact CG2-CZ 4.13Å; S393-F426 WeakPolarHBondContact OG-CD2 3.35Å; M422-F426 WeakPolarHBondContact O-CB 3.28Å; M422-F426 PolarHBondContact O-N 3.03Å; F426-Y428 VanDerWaalsContact C-N 3.35Å; F426-Y428 PolarHBondContact O-N 3.48Å; F426-H429 WeakPolarHBondContact O-CB 3.32Å; F426-H429 PolarHBondContact O-N 2.85Å; F426-L430 HydrophobicContact CD2-CD1 4.39Å; F426-L430 HydrophobicContact CD2-CG 4.35Å; F426-L430 HydrophobicContact CE1-CD1 3.95Å; F426-L430 HydrophobicContact CE2-CD1 3.65Å; F426-L430 HydrophobicContact CE2-CD2 4.35Å; F426-L430 HydrophobicContact CE2-CG 3.94Å; F426-L430 HydrophobicContact CZ-CD1 3.41Å; F426-L430 VanDerWaalsContact CZ-CD1 3.41Å; F426-L430 HydrophobicContact CZ-CG 4.21Å; F426-L430 PolarHBondContact O-N 3.32Å; F426-L430 VanDerWaalsContact O-N 3.07Å
427I96.3Very high95Very high58 Ų5812.8 Ų12.830%0.2977%0.068SC..Hα-helixtrans-60.7-45.8179.3-70166.1000110.5L423 F424 D425 H429 L430 T431L423-I427 HydrophobicContact CD1-CD1 4.22Å; L423-I427 HydrophobicContact CG-CD1 4.12Å; L423-I427 VanDerWaalsContact O-CG1 3.27Å; L423-I427 WeakPolarHBondContact O-CG1 3.49Å; L423-I427 PolarHBondContact O-N 2.65Å; L423-I427 VanDerWaalsContact O-N 3.1Å; F424-I427 HydrophobicContact CD1-CD1 4.37Å; F424-I427 PolarHBondContact O-N 3.16Å; D425-I427 PolarHBondContact O-N 3.17Å; I427-H429 VanDerWaalsContact C-N 3.34Å; I427-L430 PolarHBondContact O-N 2.96Å; I427-T431 WeakPolarHBondContact O-CB 3.21Å; I427-T431 WeakPolarHBondContact O-CG2 3.39Å; I427-T431 PolarHBondContact O-N 3Å; I427-T431 PolarHBondContact O-OG1 2.86Å
428Y96.8Very high94.8Very high0 Ų012.8 Ų12.80%07%0.068CC..Hα-helixtrans-73.5-26.8-179.9-65.7-41.1000113L40 T41 S320 M323 A324 S327 F424 D425 F426 T431 F432 V433L40-Y428 HydrophobicContact CD2-CE1 4.01Å; T41-Y428 PolarHBondContact N-OH 3.43Å; T41-Y428 VanDerWaalsContact OG1-CZ 3.24Å; T41-Y428 PolarHBondContact OG1-OH 3.37Å; S320-Y428 WeakPolarHBondContact OG-CB 3.46Å; M323-Y428 HydrophobicContact CB-CD2 3.89Å; M323-Y428 HydrophobicContact CB-CE2 3.83Å; M323-Y428 HydrophobicContact CE-CD1 4.2Å; M323-Y428 HydrophobicContact CE-CE1 4.14Å; M323-Y428 HydrophobicContact CE-CG 4.49Å; M323-Y428 WeakPolarHBondContact O-CE2 3.13Å; A324-Y428 HydrophobicContact CB-CD2 4.04Å; S327-Y428 VanDerWaalsContact OG-CE2 3.31Å; S327-Y428 WeakPolarHBondContact OG-CE2 3.28Å; S327-Y428 PolarHBondContact OG-OH 3.31Å; F424-Y428 HydrophobicContact CB-CD2 4.33Å; F424-Y428 HydrophobicContact CB-CE2 4.14Å; F424-Y428 HydrophobicContact CD1-CE2 4.26Å; F424-Y428 WeakPolarHBondContact O-CB 3.49Å; F424-Y428 WeakPolarHBondContact O-CD2 3.35Å; F424-Y428 PolarHBondContact O-N 3.33Å; D425-Y428 PolarHBondContact O-N 2.86Å; F426-Y428 VanDerWaalsContact C-N 3.35Å; F426-Y428 PolarHBondContact O-N 3.48Å; Y428-T431 WeakPolarHBondContact CA-OG1 3.49Å; Y428-T431 PolarHBondContact O-N 3.46Å; Y428-F432 WeakPolarHBondContact O-CA 3.08Å; Y428-F432 VanDerWaalsContact O-CB 3.29Å; Y428-F432 WeakPolarHBondContact O-CB 3.31Å; Y428-F432 PolarHBondContact O-N 3.41Å; Y428-V433 PolarHBondContact O-N 3.41Å
429H93.6Very high94.6Very high1 Ų113.1 Ų13.11%0.0057%0.07CC..Iπ-helixtrans-63.1-50.5171-160.797.4000111.5D357 T358 A361 I389 D425 F426 I427 T431 S434D357-H429 PolarHBondContact O-CE1 3.42Å; D357-H429 VanDerWaalsContact O-CE1 3.26Å; T358-H429 PolarHBondContact N-CE1 2.92Å; A361-H429 WeakPolarHBondContact CB-NE2 3.49Å; I389-H429 VanDerWaalsContact CD1-NE2 3.31Å; I389-H429 WeakPolarHBondContact CD1-NE2 3.34Å; D425-H429 VanDerWaalsContact O-CB 3.3Å; D425-H429 WeakPolarHBondContact O-CB 3.05Å; D425-H429 PolarHBondContact O-N 3.38Å; F426-H429 WeakPolarHBondContact O-CB 3.32Å; F426-H429 PolarHBondContact O-N 2.85Å; I427-H429 VanDerWaalsContact C-N 3.34Å; H429-T431 VanDerWaalsContact C-N 3.32Å; H429-T431 PolarHBondContact O-N 3.47Å; H429-S434 PolarHBondContact O-N 3.04Å; H429-S434 VanDerWaalsContact O-N 3.17Å; H429-S434 PolarHBondContact O-OG 3.13Å
430L93.6Very high94.1Very high16 Ų1612.7 Ų12.78%0.0847%0.067CC..Iπ-helixtrans-66.8-32.7178.7-67.1-172.1000112.8Y19 Y22 M382 F426 I427 S434Y19-L430 HydrophobicContact CE1-CD1 4.23Å; Y19-L430 HydrophobicContact CE1-CD2 3.76Å; Y22-L430 HydrophobicContact CE1-CB 4.12Å; Y22-L430 WeakPolarHBondContact CE1-O 3.5Å; Y22-L430 PolarHBondContact OH-O 3.08Å; M382-L430 HydrophobicContact SD-CD2 4.47Å; F426-L430 HydrophobicContact CD2-CD1 4.39Å; F426-L430 HydrophobicContact CD2-CG 4.35Å; F426-L430 HydrophobicContact CE1-CD1 3.95Å; F426-L430 HydrophobicContact CE2-CD1 3.65Å; F426-L430 HydrophobicContact CE2-CD2 4.35Å; F426-L430 HydrophobicContact CE2-CG 3.94Å; F426-L430 HydrophobicContact CZ-CD1 3.41Å; F426-L430 VanDerWaalsContact CZ-CD1 3.41Å; F426-L430 HydrophobicContact CZ-CG 4.21Å; F426-L430 PolarHBondContact O-N 3.32Å; F426-L430 VanDerWaalsContact O-N 3.07Å; I427-L430 PolarHBondContact O-N 2.96Å; L430-S434 VanDerWaalsContact O-CB 3.25Å; L430-S434 WeakPolarHBondContact O-CB 3.29Å; L430-S434 PolarHBondContact O-OG 3.02Å
431T94.8Very high93.5Very high21 Ų2112.2 Ų12.213%0.1296%0.063CC..Iπ-helixtrans-95.9-68.6-176.356.80000112.6F33 S37 I427 Y428 H429 A435F33-T431 HydrophobicContact CD1-CG2 4.01Å; S37-T431 WeakPolarHBondContact OG-CB 3.14Å; S37-T431 PolarHBondContact OG-OG1 3.28Å; I427-T431 WeakPolarHBondContact O-CB 3.21Å; I427-T431 WeakPolarHBondContact O-CG2 3.39Å; I427-T431 PolarHBondContact O-N 3Å; I427-T431 PolarHBondContact O-OG1 2.86Å; Y428-T431 WeakPolarHBondContact CA-OG1 3.49Å; Y428-T431 PolarHBondContact O-N 3.46Å; H429-T431 VanDerWaalsContact C-N 3.32Å; H429-T431 PolarHBondContact O-N 3.47Å; T431-A435 WeakPolarHBondContact O-CB 3.49Å; T431-A435 PolarHBondContact O-N 3Å
432F95.8Very high92.9Very high5 Ų515.2 Ų15.22%0.0228%0.077CC..Iπ-helixtrans-71.5-54.4-171.9-177.2-96.3000112.3I34 L38 M316 V319 M323 Y428 A435 C436I34-F432 HydrophobicContact CG2-CD2 4.28Å; I34-F432 HydrophobicContact CG2-CE2 4Å; L38-F432 HydrophobicContact CD2-CE2 4.28Å; L38-F432 HydrophobicContact CG-CE2 4.36Å; M316-F432 HydrophobicContact CB-CE1 4.15Å; M316-F432 HydrophobicContact CE-CE1 4.31Å; M316-F432 HydrophobicContact CE-CZ 3.81Å; M316-F432 WeakPolarHBondContact O-CE1 3.49Å; V319-F432 HydrophobicContact CB-CE1 4.34Å; V319-F432 HydrophobicContact CG1-CE1 4.12Å; V319-F432 HydrophobicContact CG1-CZ 4.02Å; M323-F432 HydrophobicContact CE-CD2 4Å; M323-F432 HydrophobicContact CE-CE2 4.33Å; M323-F432 HydrophobicContact CE-CG 4.27Å; M323-F432 HydrophobicContact SD-CD1 4.31Å; M323-F432 HydrophobicContact SD-CD2 4.1Å; M323-F432 HydrophobicContact SD-CE1 4.19Å; M323-F432 HydrophobicContact SD-CE2 3.97Å; M323-F432 HydrophobicContact SD-CG 4.26Å; M323-F432 HydrophobicContact SD-CZ 4.01Å; Y428-F432 WeakPolarHBondContact O-CA 3.08Å; Y428-F432 VanDerWaalsContact O-CB 3.29Å; Y428-F432 WeakPolarHBondContact O-CB 3.31Å; Y428-F432 PolarHBondContact O-N 3.41Å; F432-A435 PolarHBondContact O-N 2.85Å; F432-C436 WeakPolarHBondContact O-CB 3.06Å; F432-C436 PolarHBondContact O-N 3.45Å; F432-C436 PolarHBondContact O-SG 2.67Å
433V94Very high92.1Very high2 Ų219.3 Ų19.31%0.01210%0.098CC..Iπ-helixtrans-62.2-50.3-177178.30000110.4S320 Y428 A435 C436 M437S320-V433 VanDerWaalsContact CB-CG2 3.47Å; S320-V433 WeakPolarHBondContact OG-CG2 3.48Å; Y428-V433 PolarHBondContact O-N 3.41Å; V433-A435 VanDerWaalsContact C-N 3.32Å; V433-A435 PolarHBondContact O-N 3.25Å; V433-C436 WeakPolarHBondContact O-CB 3.41Å; V433-C436 PolarHBondContact O-N 2.88Å; V433-M437 HydrophobicContact CG1-CG 4.48Å; V433-M437 HydrophobicContact CG1-SD 4.19Å; V433-M437 VanDerWaalsContact O-CG 3.32Å; V433-M437 WeakPolarHBondContact O-CG 3.45Å; V433-M437 PolarHBondContact O-N 3.47Å
434S93.7Very high91.1Very high0 Ų019.7 Ų19.70%010%0.1CC..Hα-helixtrans-56.4-42.1178.3-630000113M382 H429 L430M382-S434 WeakPolarHBondContact CE-OG 3.23Å; M382-S434 PolarHBondContact SD-OG 3.43Å; M382-S434 VanDerWaalsContact SD-OG 3.42Å; H429-S434 PolarHBondContact O-N 3.04Å; H429-S434 VanDerWaalsContact O-N 3.17Å; H429-S434 PolarHBondContact O-OG 3.13Å; L430-S434 VanDerWaalsContact O-CB 3.25Å; L430-S434 WeakPolarHBondContact O-CB 3.29Å; L430-S434 PolarHBondContact O-OG 3.02Å
435A94.8Very high89.8Confident0 Ų023.5 Ų23.50%012%0.116CC..Hα-helixtrans-69-39.5175.400000112.5V26 P30 F33 I34 T431 F432 V433 M437 V438 V439V26-A435 HydrophobicContact CG1-CB 4.04Å; P30-A435 HydrophobicContact CB-CB 3.97Å; P30-A435 WeakPolarHBondContact O-CB 3.33Å; F33-A435 HydrophobicContact CB-CB 3.96Å; I34-A435 HydrophobicContact CD1-CB 4.2Å; I34-A435 HydrophobicContact CG1-CB 3.7Å; T431-A435 WeakPolarHBondContact O-CB 3.49Å; T431-A435 PolarHBondContact O-N 3Å; F432-A435 PolarHBondContact O-N 2.85Å; V433-A435 VanDerWaalsContact C-N 3.32Å; V433-A435 PolarHBondContact O-N 3.25Å; A435-M437 VanDerWaalsContact C-N 3.31Å; A435-M437 PolarHBondContact O-N 3.19Å; A435-V438 PolarHBondContact O-N 3.12Å; A435-V439 WeakPolarHBondContact O-CG2 3.25Å; A435-V439 PolarHBondContact O-N 2.63Å; A435-V439 VanDerWaalsContact O-N 3.1Å
436C92.9Very high87.9Confident1 Ų129.6 Ų29.61%0.00715%0.145CC..Hα-helixtrans-65-33.1177.9-70.70000112.9W312 M316 F432 V433 V439 G440W312-C436 PolarHBondContact NE1-O 2.73Å; M316-C436 HydrophobicContact CB-CB 3.78Å; M316-C436 HydrophobicContact CE-CB 4.3Å; M316-C436 WeakPolarHBondContact CE-SG 3.33Å; M316-C436 HydrophobicContact CG-CB 3.87Å; F432-C436 WeakPolarHBondContact O-CB 3.06Å; F432-C436 PolarHBondContact O-N 3.45Å; F432-C436 PolarHBondContact O-SG 2.67Å; V433-C436 WeakPolarHBondContact O-CB 3.41Å; V433-C436 PolarHBondContact O-N 2.88Å; C436-V439 PolarHBondContact O-N 3.2Å; C436-G440 PolarHBondContact O-N 2.99Å
437M89.5Confident85.3Confident1 Ų134.3 Ų34.31%0.00518%0.179CC..Hα-helixtrans-63.2-40.7173.7-67.3170.377.900111.9E313 A361 W365 T381 V433 A435 G440 D441E313-M437 HydrophobicContact CB-CG 4.4Å; E313-M437 HydrophobicContact CG-CG 4.08Å; A361-M437 HydrophobicContact CB-CE 4.36Å; A361-M437 HydrophobicContact CB-SD 4.28Å; W365-M437 HydrophobicContact CB-CE 3.32Å; W365-M437 HydrophobicContact CD2-CE 3.73Å; W365-M437 HydrophobicContact CE3-CE 3.79Å; W365-M437 HydrophobicContact CG-CE 3.52Å; W365-M437 HydrophobicContact CZ3-CB 4.48Å; T381-M437 HydrophobicContact CG2-CE 4.22Å; V433-M437 HydrophobicContact CG1-CG 4.48Å; V433-M437 HydrophobicContact CG1-SD 4.19Å; V433-M437 VanDerWaalsContact O-CG 3.32Å; V433-M437 WeakPolarHBondContact O-CG 3.45Å; V433-M437 PolarHBondContact O-N 3.47Å; A435-M437 VanDerWaalsContact C-N 3.31Å; A435-M437 PolarHBondContact O-N 3.19Å; M437-G440 PolarHBondContact O-N 3.17Å; M437-D441 PolarHBondContact O-N 2.69Å; M437-D441 VanDerWaalsContact O-N 3.08Å
438V91Very high82.9Confident0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-65-45.9175.8172.70000111P30 W365 P374 L378 A435 D441 Q442P30-V438 HydrophobicContact CB-CB 4.33Å; P30-V438 HydrophobicContact CB-CG1 4.26Å; P30-V438 HydrophobicContact CG-CG1 4.03Å; W365-V438 HydrophobicContact CH2-CG2 4.48Å; P374-V438 HydrophobicContact CB-CG1 3.95Å; L378-V438 HydrophobicContact CB-CG2 3.93Å; L378-V438 HydrophobicContact CD1-CG2 4.42Å; L378-V438 HydrophobicContact CD2-CG2 3.54Å; L378-V438 HydrophobicContact CG-CG2 4.15Å; A435-V438 PolarHBondContact O-N 3.12Å; V438-D441 PolarHBondContact O-N 2.83Å; V438-Q442 WeakPolarHBondContact O-CG 3.17Å; V438-Q442 PolarHBondContact O-N 3Å
439V89.9Confident80Confident7 Ų742.3 Ų42.34%0.04223%0.23CC..Hα-helixtrans-63.1-42.5178173.60000111.1P30 Y31 I34 A435 C436 D441 Q442 M443P30-V439 HydrophobicContact CB-CG2 4Å; P30-V439 HydrophobicContact CG-CG2 4.18Å; Y31-V439 HydrophobicContact CE1-CG2 4.31Å; I34-V439 HydrophobicContact CD1-CG2 3.88Å; A435-V439 WeakPolarHBondContact O-CG2 3.25Å; A435-V439 PolarHBondContact O-N 2.63Å; A435-V439 VanDerWaalsContact O-N 3.1Å; C436-V439 PolarHBondContact O-N 3.2Å; V439-D441 VanDerWaalsContact C-N 3.34Å; V439-D441 PolarHBondContact O-N 3.13Å; V439-Q442 WeakPolarHBondContact O-CB 3.48Å; V439-Q442 PolarHBondContact O-N 3.31Å; V439-M443 HydrophobicContact CG1-CE 3.52Å; V439-M443 HydrophobicContact CG1-CG 4.47Å; V439-M443 HydrophobicContact CG1-SD 4.14Å; V439-M443 WeakPolarHBondContact O-CG 3.2Å; V439-M443 PolarHBondContact O-N 3.22Å
440G85.9Confident77.4Confident2 Ų247.9 Ų47.92%0.02126%0.264CS..Hα-helixtrans-59.1-42.2175.500000112.6C436 M437 M443 N444C436-G440 PolarHBondContact O-N 2.99Å; M437-G440 PolarHBondContact O-N 3.17Å; G440-M443 PolarHBondContact O-N 2.75Å; G440-N444 PolarHBondContact O-N 3.02Å; G440-N444 PolarHBondContact O-ND2 2.91Å
441D83.8Confident74.8Confident14 Ų1455.8 Ų55.88%0.07530%0.298CS..Hα-helixtrans-68.9-36.6176.1-163.157.8000113W365 P374 R377 M437 V438 V439 N444 K445W365-D441 HydrophobicContact CZ2-CB 3.76Å; P374-D441 HydrophobicContact CB-CB 4.32Å; P374-D441 HydrophobicContact CG-CB 4.42Å; P374-D441 WeakPolarHBondContact CG-OD2 3.4Å; R377-D441 IonicContact CZ-OD1 2.69Å; R377-D441 IonicContact NH1-OD1 2.77Å; R377-D441 PolarHBondContact NH1-OD1 2.83Å; R377-D441 IonicContact NH1-OD2 3.13Å; R377-D441 PolarHBondContact NH1-OD2 2.81Å; M437-D441 PolarHBondContact O-N 2.69Å; M437-D441 VanDerWaalsContact O-N 3.08Å; V438-D441 PolarHBondContact O-N 2.83Å; V439-D441 VanDerWaalsContact C-N 3.34Å; V439-D441 PolarHBondContact O-N 3.13Å; D441-N444 PolarHBondContact O-N 2.81Å; D441-K445 WeakPolarHBondContact O-CB 3.29Å; D441-K445 WeakPolarHBondContact O-CG 3.34Å; D441-K445 PolarHBondContact O-N 2.99Å; D441-K445 VanDerWaalsContact OD2-CE 3.32Å; D441-K445 WeakPolarHBondContact OD2-CE 3.27Å; D441-K445 IonicContact OD2-NZ 2.78Å; D441-K445 PolarHBondContact OD2-NZ 3.2Å
442Q84.5Confident72.2Confident63 Ų6359.1 Ų59.129%0.29432%0.32SS..Hα-helixtrans-63.2-42.6173.8-72.6173.7-8.500111.4P374 V438 V439 K445 Q446P374-Q442 HydrophobicContact CB-CG 4.39Å; P374-Q442 HydrophobicContact CG-CG 3.93Å; V438-Q442 WeakPolarHBondContact O-CG 3.17Å; V438-Q442 PolarHBondContact O-N 3Å; V439-Q442 WeakPolarHBondContact O-CB 3.48Å; V439-Q442 PolarHBondContact O-N 3.31Å; Q442-K445 PolarHBondContact O-N 3.01Å; Q442-Q446 PolarHBondContact O-N 3.42Å
443M79.4Confident69.3Low88 Ų8866 Ų6643%0.43336%0.356SS..Hα-helixtrans-63.1-42.8175.9-71.3174.4176.700111.8V439 G440 K445 Q446 V448V439-M443 HydrophobicContact CG1-CE 3.52Å; V439-M443 HydrophobicContact CG1-CG 4.47Å; V439-M443 HydrophobicContact CG1-SD 4.14Å; V439-M443 WeakPolarHBondContact O-CG 3.2Å; V439-M443 PolarHBondContact O-N 3.22Å; G440-M443 PolarHBondContact O-N 2.75Å; M443-K445 VanDerWaalsContact C-N 3.32Å; M443-K445 PolarHBondContact O-N 3.19Å; M443-Q446 PolarHBondContact O-N 2.84Å; M443-V448 WeakPolarHBondContact O-CG2 3.49Å
444N73.8Confident66.7Low84 Ų8473 Ų7345%0.44939%0.393SS..Hα-helixtrans-69-27.2179.1-73.5-39.8000113.8G309 G440 D441G309-N444 WeakPolarHBondContact CA-ND2 3.42Å; G440-N444 PolarHBondContact O-N 3.02Å; G440-N444 PolarHBondContact O-ND2 2.91Å; D441-N444 PolarHBondContact O-N 2.81Å
445K70.8Confident64.1Low96 Ų9678.4 Ų78.442%0.41742%0.42SS..Hα-helixtrans-80.3-20.3176.3-78.4171.9173.3162.20112.9L372 P374 D441 Q442 M443L372-K445 PolarHBondContact O-NZ 3.38Å; P374-K445 HydrophobicContact CG-CD 4.44Å; D441-K445 WeakPolarHBondContact O-CB 3.29Å; D441-K445 WeakPolarHBondContact O-CG 3.34Å; D441-K445 PolarHBondContact O-N 2.99Å; D441-K445 VanDerWaalsContact OD2-CE 3.32Å; D441-K445 WeakPolarHBondContact OD2-CE 3.27Å; D441-K445 IonicContact OD2-NZ 2.78Å; D441-K445 PolarHBondContact OD2-NZ 3.2Å; Q442-K445 PolarHBondContact O-N 3.01Å; M443-K445 VanDerWaalsContact C-N 3.32Å; M443-K445 PolarHBondContact O-N 3.19Å
446Q55.9Low61.5Low131 Ų13187.4 Ų87.461%0.61246%0.46SS*.SBendtrans-81.1130.7172-69.6-177.61.500109Q442 M443 V448Q442-Q446 PolarHBondContact O-N 3.42Å; M443-Q446 PolarHBondContact O-N 2.84Å; Q446-V448 VanDerWaalsContact C-N 3.33Å; Q446-V448 HydrophobicContact CB-CG2 4.48Å; Q446-V448 WeakPolarHBondContact O-CG2 3.33Å; Q446-V448 PolarHBondContact O-N 3.3Å
447P40.8Very low59.1Low131 Ų13193.7 Ų93.785%0.85149%0.492SS*.  trans-68.39217426.6-31.2000108.9T449P447-T449 PolarHBondContact O-N 2.71Å
448V45.7Very low56.2Low90 Ų90101 Ų10155%0.54552%0.524SS..  trans-80.5106.8-172.1-1610000110.7M443 Q446 V450M443-V448 WeakPolarHBondContact O-CG2 3.49Å; Q446-V448 VanDerWaalsContact C-N 3.33Å; Q446-V448 HydrophobicContact CB-CG2 4.48Å; Q446-V448 WeakPolarHBondContact O-CG2 3.33Å; Q446-V448 PolarHBondContact O-N 3.3Å; V448-V450 VanDerWaalsContact C-N 3.3Å; V448-V450 HydrophobicContact CB-CG2 3.96Å; V448-V450 HydrophobicContact CG1-CB 4.3Å; V448-V450 HydrophobicContact CG1-CG2 3.51Å; V448-V450 PolarHBondContact O-N 2.88Å
449T35.1Very low53.3Low136 Ų136107 Ų10783%0.83456%0.563SS**  trans-7392.1148.112.40000106.9P447 F451P447-T449 PolarHBondContact O-N 2.71Å; T449-F451 PolarHBondContact O-N 2.9Å
450V39.9Very low50.7Low117 Ų117112.2 Ų112.271%0.70960%0.595SS**  trans-69.1106.3178.9-178.80000107.8V448V448-V450 VanDerWaalsContact C-N 3.3Å; V448-V450 HydrophobicContact CB-CG2 3.96Å; V448-V450 HydrophobicContact CG1-CB 4.3Å; V448-V450 HydrophobicContact CG1-CG2 3.51Å; V448-V450 PolarHBondContact O-N 2.88Å
451F38.3Very low48Very low183 Ų183123 Ų12380%0.80364%0.635SS**  trans-166.5-21.8148.9-124.5-89.9000118.2T449T449-F451 PolarHBondContact O-N 2.9Å
452P39.9Very low45.5Very low91 Ų91129.7 Ų129.759%0.59167%0.671SS**SBendtrans-92-4.6-171.2-10.328.2000117.8L454 I455P452-L454 PolarHBondContact O-N 3Å; P452-I455 PolarHBondContact O-N 3.48Å
453L36.8Very low43Very low149 Ų149136.6 Ų136.678%0.7869%0.694SS**THydrogen-bonded Turntrans-72.2-29.8-170.5-141.796.7000113.6I455 K456L453-I455 VanDerWaalsContact C-N 3.29Å; L453-I455 PolarHBondContact O-N 3.43Å; L453-K456 PolarHBondContact O-N 3.41Å
454L39.2Very low40.5Very low148 Ų148139.3 Ų139.378%0.77571%0.711SS**THydrogen-bonded Turntrans-70.5-23.4176.9-87.9161.6000113.2P452P452-L454 PolarHBondContact O-N 3Å
455I38.8Very low38.5Very low114 Ų114144.2 Ų144.259%0.58573%0.731SS**G310 helixtrans-83.8-23.5179.9-60.9175.4000111.6P452 L453 L457 F458P452-I455 PolarHBondContact O-N 3.48Å; L453-I455 VanDerWaalsContact C-N 3.29Å; L453-I455 PolarHBondContact O-N 3.43Å; I455-L457 PolarHBondContact O-N 3.09Å; I455-F458 CarbonylContact O-C 3.41Å; I455-F458 PolarHBondContact O-N 2.93Å; I455-F458 VanDerWaalsContact O-N 3.15Å
456K39.9Very low36.4Very low190 Ų190149 Ų14983%0.82675%0.751SS**G310 helixtrans-69-15.3175.7-89.6-172176-179.30114.3L453L453-K456 PolarHBondContact O-N 3.41Å
457L41.4Very low34.9Very low132 Ų132148.5 Ų148.569%0.69176%0.758SS**G310 helixtrans-85.7-12.2173.9-84.1154.5000113.4I455I455-L457 PolarHBondContact O-N 3.09Å
458F30.2Very low34.4Very low155 Ų155149.4 Ų149.468%0.6876%0.76SS**SBendtrans-136.297.6175.7-68.1-79.6000110.2I455 V460I455-F458 CarbonylContact O-C 3.41Å; I455-F458 PolarHBondContact O-N 2.93Å; I455-F458 VanDerWaalsContact O-N 3.15Å; F458-V460 VanDerWaalsContact C-N 3.34Å; F458-V460 PolarHBondContact O-N 3.42Å
459P30.1Very low33.4Very low126 Ų126149.7 Ų149.782%0.81877%0.766SS**  trans-71.290.8-178.229.6-31.9000109.6R461P459-R461 PolarHBondContact O-N 2.82Å; P459-R461 VanDerWaalsContact O-N 3.13Å
460V33.9Very low33.1Very low116 Ų116152.8 Ų152.870%0.70377%0.768SS**  trans-71.9106.9169.6-179.40000107.7F458 N462F458-V460 VanDerWaalsContact C-N 3.34Å; F458-V460 PolarHBondContact O-N 3.42Å; V460-N462 PolarHBondContact O-N 3.43Å
461R29.6Very low32.2Very low229 Ų229157.2 Ų157.286%0.86478%0.778SS**  trans-66.788.1178.8-176.2177.3-174.7167.41.5110.2P459 R463P459-R461 PolarHBondContact O-N 2.82Å; P459-R461 VanDerWaalsContact O-N 3.13Å; R461-R463 PolarHBondContact O-N 3.28Å
462N31.4Very low31.8Very low154 Ų154154.3 Ų154.382%0.82478%0.781SS**  trans-87.1110.5173.8-114-6.8000111.1V460V460-N462 PolarHBondContact O-N 3.43Å
463R31.6Very low31.1Very low209 Ų209154.2 Ų154.279%0.78978%0.782SS**  trans-77143.4167-125.7175.7-176.6171.1-0.7107.8R461R461-R463 PolarHBondContact O-N 3.28Å
464N28.7Very low30.5Very low145 Ų145156.2 Ų156.278%0.77579%0.785SS**  trans104.1113.9160.4-52.8-22.7000117.3
465Q30.1Very low30Very low187 Ų187154.2 Ų154.287%0.87479%0.79SS**  trans148.287.6134.6-83.1177-13.300108.4
466K26.5Very low29.3Very low196 Ų196156.6 Ų156.685%0.85280%0.802SS**  5197.892.6-79.5-170.2176.9-179.40114.1
467T25.9Very low28.6Very low121 Ų121151 Ų15174%0.74280%0.798SS**  57.794.4127-29.50000117.5
468V29.6Very low27.9Very low149 Ų149154.8 Ų154.890%0.90381%0.809SS**  trans-123.497.7149.51800000108.1
469S25.2Very low27.6Very low96 Ų96152.4 Ų152.467%0.67182%0.818SS**  trans-85.7128168.850.70000110.2
470K27.6Very low27.4Very low201 Ų201152.2 Ų152.287%0.87482%0.82SS**  trans-173.390.8151.8-107171.3-177.8-179.30107.4
471F22.3Very low27.2Very low210 Ų210156.4 Ų156.492%0.92183%0.829SS**  46.295.595.8-110.6-90.1000113.6
472S29.2Very low27.5Very low122 Ų122151.6 Ų151.685%0.85383%0.827SS**  trans-151.3136.4144.6-171.50000109.3
473S25.3Very low27.3Very low90 Ų90150 Ų15063%0.62983%0.828SS**  trans-101.2156.1-15652.50000113.9
474K23.7Very low27Very low190 Ų190148.9 Ų148.983%0.82683%0.832SS**  trans71.4107.9150.6-78.5175.9173.4175.90118.7
475A28.9Very low26.8Very low107 Ų107153.4 Ų153.488%0.88484%0.838SS**  -149.4113.8121.900000109.2
476I23.6Very low26.5Very low164 Ų164150.2 Ų150.284%0.84183%0.831SS**  trans-86.8132.3176.6-70.6164.8000107.4
477G25.9Very low26.4Very low73 Ų73147.7 Ų147.775%0.75383%0.827SS**  trans-168.873.3-17900000115.9
478K26.9Very low26.4Very low211 Ų211150.3 Ų150.392%0.91783%0.831SS**  trans64.8116150.4-69.5-177.7176.6178.30120.3
479A23.7Very low26.2Very low105 Ų105152 Ų15287%0.86883%0.826SS**  trans-75143.9170.900000113.3
480S26.9Very low26.4Very low121 Ų121153.2 Ų153.285%0.84683%0.831SS**  trans-124.6136.7152.651.60000108.7
481K27.9Very low26.4Very low205 Ų205153.3 Ų153.389%0.89183%0.832SS**  trans-75.8164.5-165.5-88.9-179.4176.4-179.30114
482P37.3Very low27.1Very low127 Ų127148.9 Ų148.983%0.82582%0.824SS**  trans-94.3151.3-163.537-31.4000113.3
483S25.7Very low27.2Very low121 Ų121149.3 Ų149.385%0.84683%0.826SS**  trans-125.3145.9161.866.90000110.6
484E27.1Very low27.7Very low186 Ų186149.3 Ų149.387%0.86983%0.826SS**  trans-68.6140-155.6-68.4156134.200115T486E484-T486 PolarHBondContact O-N 3.43Å
485R23.4Very low28.5Very low239 Ų239147.1 Ų147.190%0.90282%0.817SS**  trans-80105.2167-85.7-178.3-178.4175.20.7109.7
486T25Very low28.9Very low120 Ų120148 Ų14874%0.73681%0.805SS**  trans-85.9116.7160.947.10000110E484 H488E484-T486 PolarHBondContact O-N 3.43Å; T486-H488 PolarHBondContact O-N 2.84Å
487N22.6Very low29.5Very low143 Ų143146.9 Ų146.977%0.76580%0.796SS**  trans-63.4112.7173.8-71.1-38.1000110.9
488H27Very low30.2Very low177 Ų177145.4 Ų145.482%0.81977%0.774SS**  trans-107.7106.5162.4-95.2-67.7000109.7T486T486-H488 PolarHBondContact O-N 2.84Å
489F24.7Very low30.9Very low184 Ų184138.2 Ų138.281%0.80775%0.748SS**PPolyproline II helixtrans-59.5133.9163.2-83.3-90.1000109.8
490P29.3Very low31.5Very low121 Ų121140.3 Ų140.379%0.78674%0.738SS**PPolyproline II helixtrans-81125.6-171.530.8-31.7000111.2
491K29.3Very low32.1Very low204 Ų204140.2 Ų140.289%0.88773%0.727SS**PPolyproline II helixtrans-73144.1167-78.9-178.7175.7179.80110.2
492P35.9Very low32.6Very low117 Ų117139.9 Ų139.976%0.7672%0.72SS**PPolyproline II helixtrans-88159.2-173.99.89.5000112.7
493C31.7Very low32.6Very low130 Ų130139.2 Ų139.288%0.87871%0.709SS**  trans80.469.8166-67.40000118.6
494S35.7Very low33.1Very low91 Ų91136.4 Ų136.464%0.63669%0.693SS**  trans-114.43.4154.965.80000113.9S498S494-S498 PolarHBondContact O-N 3.21Å
495F39.6Very low33.5Very low144 Ų144131 Ų13163%0.63268%0.676SS**Hα-helixtrans-71.3-44.7-172.7-175.3-106.5000113.4E497 S498 V499F495-E497 VanDerWaalsContact C-N 3.29Å; F495-E497 PolarHBondContact O-N 3.01Å; F495-S498 PolarHBondContact O-N 3.14Å; F495-S498 VanDerWaalsContact O-N 3.11Å; F495-S498 PolarHBondContact O-OG 3.29Å; F495-V499 HydrophobicContact CD1-CG2 4.4Å; F495-V499 HydrophobicContact CE1-CG2 3.96Å; F495-V499 HydrophobicContact CE2-CG2 4.15Å; F495-V499 HydrophobicContact CZ-CG2 3.82Å; F495-V499 PolarHBondContact O-N 3Å
496I38.2Very low34Very low124 Ų124121.7 Ų121.764%0.63665%0.654SS**Hα-helixtrans-63.7-37.1179.6-63.7178.1000110.9K500I496-K500 HydrophobicContact CG2-CD 4.46Å; I496-K500 WeakPolarHBondContact O-CB 3.39Å; I496-K500 PolarHBondContact O-N 3.12Å
497E36.7Very low34.1Very low141 Ų141127.5 Ų127.566%0.65966%0.663SS**Hα-helixtrans-66.3-42.4172.8-82.5-164.5148.900111.7F495 V499 K500 L501F495-E497 VanDerWaalsContact C-N 3.29Å; F495-E497 PolarHBondContact O-N 3.01Å; E497-V499 VanDerWaalsContact C-N 3.32Å; E497-V499 PolarHBondContact O-N 3.12Å; E497-K500 PolarHBondContact O-N 3.32Å; E497-L501 VanDerWaalsContact O-CB 3.32Å; E497-L501 WeakPolarHBondContact O-CB 3.49Å; E497-L501 PolarHBondContact O-N 2.97Å
498S39.3Very low34.3Very low42 Ų42130 Ų13029%0.29467%0.667SS.*Hα-helixtrans-63.5-34.8179.475.80000113.5S494 F495 R502S494-S498 PolarHBondContact O-N 3.21Å; F495-S498 PolarHBondContact O-N 3.14Å; F495-S498 VanDerWaalsContact O-N 3.11Å; F495-S498 PolarHBondContact O-OG 3.29Å; S498-R502 WeakPolarHBondContact O-CB 3.42Å; S498-R502 VanDerWaalsContact O-CG 3.31Å; S498-R502 WeakPolarHBondContact O-CG 3.48Å; S498-R502 PolarHBondContact O-N 2.87Å
499V41.1Very low34.3Very low60 Ų60124.8 Ų124.836%0.36466%0.661SS.*Hα-helixtrans-74.7-43.2176.2176.10000110.8F495 E497 L501 R502 L503F495-V499 HydrophobicContact CD1-CG2 4.4Å; F495-V499 HydrophobicContact CE1-CG2 3.96Å; F495-V499 HydrophobicContact CE2-CG2 4.15Å; F495-V499 HydrophobicContact CZ-CG2 3.82Å; F495-V499 PolarHBondContact O-N 3Å; E497-V499 VanDerWaalsContact C-N 3.32Å; E497-V499 PolarHBondContact O-N 3.12Å; V499-L501 PolarHBondContact O-N 3.43Å; V499-R502 PolarHBondContact O-N 2.9Å; V499-L503 HydrophobicContact CG1-CD1 3.98Å; V499-L503 WeakPolarHBondContact O-CB 3.24Å; V499-L503 WeakPolarHBondContact O-CG 3.26Å; V499-L503 PolarHBondContact O-N 2.94Å
500K37.9Very low34.4Very low150 Ų150120.7 Ų120.765%0.65266%0.661SS**Hα-helixtrans-60.9-42.6173.1-81-175.4175.9-179.30111.9I496 E497 L503 A504I496-K500 HydrophobicContact CG2-CD 4.46Å; I496-K500 WeakPolarHBondContact O-CB 3.39Å; I496-K500 PolarHBondContact O-N 3.12Å; E497-K500 PolarHBondContact O-N 3.32Å; K500-L503 PolarHBondContact O-N 3.2Å; K500-A504 WeakPolarHBondContact O-CB 3.34Å; K500-A504 PolarHBondContact O-N 2.67Å
501L39.2Very low34.3Very low119 Ų119125.1 Ų125.162%0.62367%0.668SS**Hα-helixtrans-66.6-40.5178.1-110.9141.8000111.9E497 V499 A504 S505E497-L501 VanDerWaalsContact O-CB 3.32Å; E497-L501 WeakPolarHBondContact O-CB 3.49Å; E497-L501 PolarHBondContact O-N 2.97Å; V499-L501 PolarHBondContact O-N 3.43Å; L501-A504 PolarHBondContact O-N 2.89Å; L501-S505 VanDerWaalsContact O-CB 3.32Å; L501-S505 WeakPolarHBondContact O-CB 3.45Å; L501-S505 PolarHBondContact O-N 3.49Å; L501-S505 PolarHBondContact O-OG 3.48Å; L501-S505 VanDerWaalsContact O-OG 3.04Å
502R38.2Very low34.1Very low198 Ų198119.1 Ų119.175%0.74765%0.652SS**Hα-helixtrans-68.5-37.8176.5-77-179.6-173.2-177.63.8112.8S498 V499 S505 G506S498-R502 WeakPolarHBondContact O-CB 3.42Å; S498-R502 VanDerWaalsContact O-CG 3.31Å; S498-R502 WeakPolarHBondContact O-CG 3.48Å; S498-R502 PolarHBondContact O-N 2.87Å; V499-R502 PolarHBondContact O-N 2.9Å; R502-S505 PolarHBondContact O-OG 2.85Å; R502-G506 PolarHBondContact O-N 3.35Å; R502-G506 VanDerWaalsContact O-N 3.14Å
503L37.2Very low33.5Very low112 Ų112123.9 Ų123.959%0.58666%0.66SS**Hα-helixtrans-70.7-38174-71.6171000111.7V499 K500V499-L503 HydrophobicContact CG1-CD1 3.98Å; V499-L503 WeakPolarHBondContact O-CB 3.24Å; V499-L503 WeakPolarHBondContact O-CG 3.26Å; V499-L503 PolarHBondContact O-N 2.94Å; K500-L503 PolarHBondContact O-N 3.2Å
504A36.8Very low33.2Very low63 Ų63124 Ų12452%0.52165%0.648SS.*Hα-helixtrans-71.1-38177.100000112.8K500 L501 W507K500-A504 WeakPolarHBondContact O-CB 3.34Å; K500-A504 PolarHBondContact O-N 2.67Å; L501-A504 PolarHBondContact O-N 2.89Å; A504-W507 PolarHBondContact O-N 3.19Å
505S34.3Very low32.6Very low73 Ų73131.5 Ų131.551%0.5166%0.662SS.*Hα-helixtrans-71.8-29.6176.565.10000112.5L501 R502 W507 K508L501-S505 VanDerWaalsContact O-CB 3.32Å; L501-S505 WeakPolarHBondContact O-CB 3.45Å; L501-S505 PolarHBondContact O-N 3.49Å; L501-S505 PolarHBondContact O-OG 3.48Å; L501-S505 VanDerWaalsContact O-OG 3.04Å; R502-S505 PolarHBondContact O-OG 2.85Å; S505-W507 PolarHBondContact O-N 3.38Å; S505-K508 CarbonylContact O-C 3.58Å; S505-K508 PolarHBondContact O-N 3.39Å
506G33.9Very low31.8Very low42 Ų42131.7 Ų131.743%0.43367%0.669SS.*Hα-helixtrans-62.5-26.2172.100000113.3R502R502-G506 PolarHBondContact O-N 3.35Å; R502-G506 VanDerWaalsContact O-N 3.14Å
507W27.4Very low31.1Very low243 Ų243131.1 Ų131.192%0.9268%0.675SS**Hα-helixtrans-88.8-14.8-179.7-91.620.3000115.3A504 S505A504-W507 PolarHBondContact O-N 3.19Å; S505-W507 PolarHBondContact O-N 3.38Å
508K27.3Very low30.6Very low195 Ų195128.4 Ų128.485%0.84867%0.668SS**SBendtrans-132.176.8174.8-74.1-173.1178.8179.20110.5S505S505-K508 CarbonylContact O-C 3.58Å; S505-K508 PolarHBondContact O-N 3.39Å
509G26.3Very low30Very low68 Ų68130.8 Ų130.870%0.70168%0.676SS**  trans170.17.2173.500000119.9K511G509-K511 VanDerWaalsContact C-N 3.3Å; G509-K511 PolarHBondContact O-N 3.15Å
510A27.8Very low29.2Very low97 Ų97133.9 Ų133.980%0.80269%0.691SS**  trans-8667.1177.400000112.2
511K25.5Very low29Very low214 Ų214131.7 Ų131.793%0.9369%0.686SS**  trans-103.847.4156.8-81.3-169.7179.4178.50109.6G509G509-K511 VanDerWaalsContact C-N 3.3Å; G509-K511 PolarHBondContact O-N 3.15Å
512S25.6Very low28.5Very low79 Ų79129.5 Ų129.555%0.55268%0.68SS**  trans-86.6118.2165.11520000107.5E514S512-E514 PolarHBondContact O-N 2.64Å
513K24.7Very low28Very low216 Ų216122.2 Ų122.294%0.93967%0.667SS**  trans-70.461.6168.9-80.5-179172.7177.50109.1
514E24.6Very low27.8Very low134 Ų134118.5 Ų118.563%0.62665%0.647SS**  trans-78.4125.6164.3-91.1178.5-17300108.5S512 L516S512-E514 PolarHBondContact O-N 2.64Å; E514-L516 PolarHBondContact O-N 2.9Å
515R22.3Very low27.6Very low247 Ų247118.5 Ų118.593%0.93264%0.644SS**  trans-49.7110.6-179.4-65.5179.4-161.6-175.83.9108.8C517R515-C517 VanDerWaalsContact C-N 3.35Å; R515-C517 PolarHBondContact O-N 2.74Å
516L23.8Very low27.5Very low148 Ų148119 Ų11978%0.77565%0.647SS**  trans-62.697.7173.7-146.194.8000107E514 V518E514-L516 PolarHBondContact O-N 2.9Å; L516-V518 HydrophobicContact CD2-CG2 4.13Å; L516-V518 PolarHBondContact O-N 2.81Å
517C23.9Very low27.5Very low112 Ų112123.2 Ų123.276%0.75766%0.656SS**  trans-69.390.7173.9-162.60000107.2R515 I519R515-C517 VanDerWaalsContact C-N 3.35Å; R515-C517 PolarHBondContact O-N 2.74Å; C517-I519 PolarHBondContact O-N 3.34Å; C517-I519 VanDerWaalsContact O-N 3.16Å
518V25.1Very low28Very low85 Ų85114.4 Ų114.452%0.51563%0.625SS.*  trans-70.1108.1171.9178.50000106L516 N520L516-V518 HydrophobicContact CD2-CG2 4.13Å; L516-V518 PolarHBondContact O-N 2.81Å; V518-N520 PolarHBondContact O-N 3.49Å
519I28.3Very low28.3Very low92 Ų92113.3 Ų113.347%0.47262%0.615SS.*  trans-57.6106.2178-60.4170000108.1C517 L521 I524C517-I519 PolarHBondContact O-N 3.34Å; C517-I519 VanDerWaalsContact O-N 3.16Å; I519-L521 PolarHBondContact O-N 3.43Å; I519-I524 HydrophobicContact CG2-CD1 4.33Å
520N24.1Very low29Very low125 Ų125116.9 Ų116.967%0.66862%0.618SS**  trans-77.3102.4165.6-155.5-4.3000106.5V518 S522 G523V518-N520 PolarHBondContact O-N 3.49Å; N520-S522 PolarHBondContact ND2-OG 3.33Å; N520-S522 PolarHBondContact O-N 2.85Å; N520-S522 PolarHBondContact OD1-OG 3.26Å; N520-G523 PolarHBondContact O-N 3.05Å
521L32.7Very low30.5Very low103 Ų103115 Ų11554%0.53960%0.597SS.*G310 helixtrans-57.1-11.8179.6-95.7122.3000113.3I519 G523 I524I519-L521 PolarHBondContact O-N 3.43Å; L521-G523 VanDerWaalsContact C-N 3.31Å; L521-G523 PolarHBondContact O-N 3.46Å; L521-I524 HydrophobicContact CB-CD1 4.5Å; L521-I524 HydrophobicContact CD2-CD1 3.91Å; L521-I524 HydrophobicContact CG-CD1 3.95Å; L521-I524 PolarHBondContact O-N 3.23Å
522S29.3Very low32.6Very low73 Ų73112.6 Ų112.651%0.5159%0.588SS.*G310 helixtrans-62.3-35172.157.70000113.1N520 I524 S525N520-S522 PolarHBondContact ND2-OG 3.33Å; N520-S522 PolarHBondContact O-N 2.85Å; N520-S522 PolarHBondContact OD1-OG 3.26Å; S522-I524 VanDerWaalsContact C-N 3.27Å; S522-I524 PolarHBondContact O-N 2.87Å; S522-S525 PolarHBondContact O-N 3.03Å; S522-S525 PolarHBondContact O-OG 3.27Å
523G27.8Very low34.8Very low45 Ų45112.8 Ų112.846%0.46458%0.579SS.*G310 helixtrans-70.4-18.9-179.300000114.5N520 L521 S525 S526N520-G523 PolarHBondContact O-N 3.05Å; L521-G523 VanDerWaalsContact C-N 3.31Å; L521-G523 PolarHBondContact O-N 3.46Å; G523-S525 PolarHBondContact O-N 2.65Å; G523-S526 PolarHBondContact O-OG 3.48Å
524I32.9Very low36.9Very low34 Ų34103.3 Ų103.317%0.17454%0.54CS..Hα-helixtrans-69.9-26.6178.3-63172.8000110.8I519 L521 S522 S526 Q528I519-I524 HydrophobicContact CG2-CD1 4.33Å; L521-I524 HydrophobicContact CB-CD1 4.5Å; L521-I524 HydrophobicContact CD2-CD1 3.91Å; L521-I524 HydrophobicContact CG-CD1 3.95Å; L521-I524 PolarHBondContact O-N 3.23Å; S522-I524 VanDerWaalsContact C-N 3.27Å; S522-I524 PolarHBondContact O-N 2.87Å; I524-S526 PolarHBondContact O-N 3.18Å; I524-Q528 VanDerWaalsContact CG2-OE1 3.24Å; I524-Q528 WeakPolarHBondContact O-CB 3.36Å; I524-Q528 PolarHBondContact O-N 3.27Å
525S31.8Very low39.2Very low64 Ų64101 Ų10145%0.44853%0.531SS..Hα-helixtrans-69-25.8-175.7690000114.9S522 G523S522-S525 PolarHBondContact O-N 3.03Å; S522-S525 PolarHBondContact O-OG 3.27Å; G523-S525 PolarHBondContact O-N 2.65Å
526S32.4Very low42.1Very low83 Ų8391.8 Ų91.858%0.5851%0.508SS*.Hα-helixtrans-82.5-33.1-177.963.60000112.8G523 I524G523-S526 PolarHBondContact O-OG 3.48Å; I524-S526 PolarHBondContact O-N 3.18Å
527Q34.8Very low45Very low131 Ų13185.8 Ų85.861%0.61248%0.476SS*.Hα-helixtrans-84.1-27.1-179.3-123.3168.4-3.400112.9
528Q37.2Very low47.8Very low58 Ų5882.7 Ų82.727%0.27146%0.455SS..Hα-helixtrans-84.9-27-176.4-153.7168.8-7.200113.7I524 N530 T531 A843I524-Q528 VanDerWaalsContact CG2-OE1 3.24Å; I524-Q528 WeakPolarHBondContact O-CB 3.36Å; I524-Q528 PolarHBondContact O-N 3.27Å; Q528-N530 PolarHBondContact O-N 3.1Å; Q528-T531 PolarHBondContact O-N 2.92Å; Q528-T531 PolarHBondContact O-OG1 3.16Å; Q528-A843 PolarHBondContact NE2-O 2.84Å
529R33Very low50.7Low172 Ų17285.4 Ų85.465%0.64946%0.46SS*.THydrogen-bonded Turntrans-59.4-14.6-179.1-114.1-165.8-69.3-163.60.9114.7
530N41.3Very low53.7Low143 Ų14384.4 Ų84.477%0.76545%0.451SS*.THydrogen-bonded Turntrans-94.511.7-175.8-69.9-10.8000114.8Q528Q528-N530 PolarHBondContact O-N 3.1Å
531T60.2Low56.8Low57 Ų5778.6 Ų78.635%0.3542%0.42SS..SBendtrans-101.3132.8173.458.90000111Q528 F533 S534 I535Q528-T531 PolarHBondContact O-N 2.92Å; Q528-T531 PolarHBondContact O-OG1 3.16Å; T531-F533 PolarHBondContact O-N 3.25Å; T531-F533 VanDerWaalsContact O-N 3.08Å; T531-S534 PolarHBondContact O-N 3.39Å; T531-S534 VanDerWaalsContact O-N 3.09Å; T531-S534 WeakPolarHBondContact OG1-CB 3.38Å; T531-I535 PolarHBondContact O-N 3.42Å
532H68.1Low59.5Low163 Ų16380.6 Ų80.676%0.75543%0.427SS*.Hα-helixtrans-50.6-35.3177.7-83.7-85.4000112.6A536H532-A536 PolarHBondContact O-N 3Å; H532-A536 VanDerWaalsContact O-N 3.09Å
533F72.8Confident62.3Low83 Ų8381.8 Ų81.836%0.36443%0.427SS..Hα-helixtrans-69.8-41.7179.5-58.4-65.4000113.4T531 I535 A536 F537 W847T531-F533 PolarHBondContact O-N 3.25Å; T531-F533 VanDerWaalsContact O-N 3.08Å; F533-I535 VanDerWaalsContact C-N 3.27Å; F533-I535 PolarHBondContact O-N 2.85Å; F533-A536 WeakPolarHBondContact O-CB 3.2Å; F533-A536 PolarHBondContact O-N 2.95Å; F533-A536 VanDerWaalsContact O-N 3.13Å; F533-F537 WeakPolarHBondContact O-CD2 3.4Å; F533-F537 PolarHBondContact O-N 3.44Å; F533-W847 HydrophobicContact CB-CB 4.38Å; F533-W847 HydrophobicContact CB-CD2 4.18Å; F533-W847 HydrophobicContact CB-CE3 4.18Å; F533-W847 HydrophobicContact CB-CG 4.25Å; F533-W847 AromaticContact CD1-CD2 3.94Å; F533-W847 HydrophobicContact CD1-CD2 3.94Å; F533-W847 AromaticContact CD1-CE3 3.36Å; F533-W847 HydrophobicContact CD1-CE3 3.36Å; F533-W847 AromaticContact CD1-CH2 3.94Å; F533-W847 HydrophobicContact CD1-CH2 3.94Å; F533-W847 HydrophobicContact CD1-CZ2 4.46Å; F533-W847 AromaticContact CD1-CZ3 3.36Å; F533-W847 HydrophobicContact CD1-CZ3 3.36Å; F533-W847 HydrophobicContact CD2-CD2 4.08Å; F533-W847 HydrophobicContact CD2-CE3 4.33Å; F533-W847 HydrophobicContact CD2-CZ2 4.33Å; F533-W847 HydrophobicContact CE1-CD2 4.35Å; F533-W847 AromaticContact CE1-CE3 3.73Å; F533-W847 HydrophobicContact CE1-CE3 3.73Å; F533-W847 AromaticContact CE1-CH2 3.37Å; F533-W847 HydrophobicContact CE1-CH2 3.37Å; F533-W847 HydrophobicContact CE1-CZ2 4.05Å; F533-W847 AromaticContact CE1-CZ3 3.19Å; F533-W847 HydrophobicContact CE1-CZ3 3.19Å; F533-W847 HydrophobicContact CE2-CD2 4.47Å; F533-W847 HydrophobicContact CE2-CH2 4.07Å; F533-W847 AromaticContact CE2-CZ2 3.9Å; F533-W847 HydrophobicContact CE2-CZ2 3.9Å; F533-W847 HydrophobicContact CE2-CZ3 4.43Å; F533-W847 AromaticContact CG-CD2 3.8Å; F533-W847 HydrophobicContact CG-CD2 3.8Å; F533-W847 AromaticContact CG-CE3 3.7Å; F533-W847 HydrophobicContact CG-CE3 3.7Å; F533-W847 HydrophobicContact CG-CG 4.32Å; F533-W847 HydrophobicContact CG-CH2 4.49Å; F533-W847 HydrophobicContact CG-CZ3 4.07Å; F533-W847 HydrophobicContact CZ-CE3 4.35Å; F533-W847 AromaticContact CZ-CH2 3.44Å; F533-W847 HydrophobicContact CZ-CH2 3.44Å; F533-W847 VanDerWaalsContact CZ-CH2 3.44Å; F533-W847 AromaticContact CZ-CZ2 3.74Å; F533-W847 HydrophobicContact CZ-CZ2 3.74Å; F533-W847 AromaticContact CZ-CZ3 3.78Å; F533-W847 HydrophobicContact CZ-CZ3 3.78Å
534S69Low65.3Low17 Ų1779.7 Ų79.712%0.11941%0.405CS..Hα-helixtrans-62.4-37.9177.4178.90000111.4T531 S538T531-S534 PolarHBondContact O-N 3.39Å; T531-S534 VanDerWaalsContact O-N 3.09Å; T531-S534 WeakPolarHBondContact OG1-CB 3.38Å; S534-S538 WeakPolarHBondContact O-CB 3.32Å; S534-S538 PolarHBondContact O-N 3.31Å
535I73.5Confident67.8Low85 Ų8580.9 Ų80.944%0.43641%0.412SS..Hα-helixtrans-65.3-42174.8-60.9170.5000110.6T531 F533 S538 K539T531-I535 PolarHBondContact O-N 3.42Å; F533-I535 VanDerWaalsContact C-N 3.27Å; F533-I535 PolarHBondContact O-N 2.85Å; I535-S538 PolarHBondContact O-N 3.26Å; I535-K539 PolarHBondContact O-N 3.44Å
536A82.8Confident70.7Confident54 Ų5481.2 Ų81.245%0.44641%0.411SS..Hα-helixtrans-62.3-45.7177.400000112.2H532 F533 S538 K539 Y540H532-A536 PolarHBondContact O-N 3Å; H532-A536 VanDerWaalsContact O-N 3.09Å; F533-A536 WeakPolarHBondContact O-CB 3.2Å; F533-A536 PolarHBondContact O-N 2.95Å; F533-A536 VanDerWaalsContact O-N 3.13Å; A536-S538 VanDerWaalsContact C-N 3.31Å; A536-S538 PolarHBondContact O-N 2.82Å; A536-K539 PolarHBondContact O-N 3.25Å; A536-Y540 WeakPolarHBondContact O-CB 3.49Å; A536-Y540 PolarHBondContact O-N 3.08Å
537F85Confident73.4Confident22 Ų2283.2 Ų83.210%0.09642%0.416CS..Hα-helixtrans-66.9-31176.5-83-74.3000113F533 Y540 S541 L842 G846 W847 L890F533-F537 WeakPolarHBondContact O-CD2 3.4Å; F533-F537 PolarHBondContact O-N 3.44Å; F537-Y540 HydrophobicContact CD1-CD1 4.24Å; F537-Y540 PolarHBondContact O-N 3.29Å; F537-S541 WeakPolarHBondContact O-CB 3.36Å; F537-S541 PolarHBondContact O-N 2.93Å; F537-L842 HydrophobicContact CD1-CB 4.33Å; F537-G846 VanDerWaalsContact CZ-O 3.31Å; F537-G846 WeakPolarHBondContact CZ-O 3.45Å; F537-W847 HydrophobicContact CD2-CB 4.37Å; F537-W847 HydrophobicContact CE2-CB 3.84Å; F537-W847 HydrophobicContact CE2-CE3 4.46Å; F537-W847 VanDerWaalsContact CE2-N 3.3Å; F537-L890 HydrophobicContact CE1-CD2 4.32Å
538S81.9Confident76.1Confident47 Ų4783.1 Ų83.133%0.32942%0.419SS..Hα-helixtrans-66.8-45.2174.4-170.40000111.9S534 I535 A536 Y540 S541 E542 D839S534-S538 WeakPolarHBondContact O-CB 3.32Å; S534-S538 PolarHBondContact O-N 3.31Å; I535-S538 PolarHBondContact O-N 3.26Å; A536-S538 VanDerWaalsContact C-N 3.31Å; A536-S538 PolarHBondContact O-N 2.82Å; S538-Y540 VanDerWaalsContact C-N 3.33Å; S538-Y540 PolarHBondContact O-N 3.33Å; S538-S541 WeakPolarHBondContact O-CB 3.34Å; S538-S541 PolarHBondContact O-N 3.05Å; S538-E542 PolarHBondContact O-N 3.02Å; S538-D839 WeakPolarHBondContact CA-OD1 3.29Å; S538-D839 WeakPolarHBondContact CB-OD1 3.36Å; S538-D839 PolarHBondContact OG-OD1 3.09Å
539K86.4Confident78.7Confident143 Ų14382.3 Ų82.362%0.62242%0.417SS*.Hα-helixtrans-61.6-40.5172.2-71-175.8177.4-172.90112.6I535 A536 S541 E542 L543I535-K539 PolarHBondContact O-N 3.44Å; A536-K539 PolarHBondContact O-N 3.25Å; K539-S541 VanDerWaalsContact C-N 3.34Å; K539-E542 WeakPolarHBondContact O-CB 3.39Å; K539-E542 PolarHBondContact O-N 3Å; K539-L543 PolarHBondContact O-N 2.96Å
540Y91.3Very high81.4Confident70 Ų7076 Ų7628%0.27540%0.395SS..Hα-helixtrans-62.8-41175.3175.4-116.1000111.7A536 F537 S538 E542 L543 L544 L842 L890A536-Y540 WeakPolarHBondContact O-CB 3.49Å; A536-Y540 PolarHBondContact O-N 3.08Å; F537-Y540 HydrophobicContact CD1-CD1 4.24Å; F537-Y540 PolarHBondContact O-N 3.29Å; S538-Y540 VanDerWaalsContact C-N 3.33Å; S538-Y540 PolarHBondContact O-N 3.33Å; Y540-E542 PolarHBondContact O-N 2.98Å; Y540-L543 WeakPolarHBondContact O-CB 3.46Å; Y540-L543 PolarHBondContact O-N 2.94Å; Y540-L544 HydrophobicContact CD1-CD1 3.95Å; Y540-L544 HydrophobicContact CD1-CG 4.46Å; Y540-L544 HydrophobicContact CD2-CG 4.33Å; Y540-L544 HydrophobicContact CE1-CD1 3.37Å; Y540-L544 HydrophobicContact CE1-CG 4.05Å; Y540-L544 HydrophobicContact CE2-CD1 4.13Å; Y540-L544 HydrophobicContact CE2-CD2 4.09Å; Y540-L544 HydrophobicContact CE2-CG 3.91Å; Y540-L544 VanDerWaalsContact CZ-CD1 3.47Å; Y540-L544 WeakPolarHBondContact O-CB 3.29Å; Y540-L544 WeakPolarHBondContact O-CG 3.32Å; Y540-L544 PolarHBondContact O-N 3.08Å; Y540-L842 HydrophobicContact CD1-CD1 3.99Å; Y540-L842 HydrophobicContact CE1-CD1 4.11Å; Y540-L890 WeakPolarHBondContact CE1-O 3.35Å; Y540-L890 PolarHBondContact OH-O 3.06Å
541S89Confident83.8Confident3 Ų373.3 Ų73.32%0.02138%0.383CS..Hα-helixtrans-62.1-41.2173.7178.50000112.4F537 S538 K539 L543 L544 N545 D839F537-S541 WeakPolarHBondContact O-CB 3.36Å; F537-S541 PolarHBondContact O-N 2.93Å; S538-S541 WeakPolarHBondContact O-CB 3.34Å; S538-S541 PolarHBondContact O-N 3.05Å; K539-S541 VanDerWaalsContact C-N 3.34Å; S541-L543 VanDerWaalsContact C-N 3.34Å; S541-L543 PolarHBondContact O-N 2.87Å; S541-L544 PolarHBondContact O-N 3.34Å; S541-N545 WeakPolarHBondContact O-CB 3.49Å; S541-N545 PolarHBondContact O-N 3.39Å; S541-D839 WeakPolarHBondContact OG-CA 3.4Å; S541-D839 PolarHBondContact OG-N 2.89Å
542E88Confident85.4Confident145 Ų14573.9 Ų73.968%0.67839%0.387SS*.Hα-helixtrans-60-45.1175.3-170.9177.2-173.200111.4S538 K539 Y540 N545S538-E542 PolarHBondContact O-N 3.02Å; K539-E542 WeakPolarHBondContact O-CB 3.39Å; K539-E542 PolarHBondContact O-N 3Å; Y540-E542 PolarHBondContact O-N 2.98Å; E542-N545 WeakPolarHBondContact O-CB 3.44Å; E542-N545 PolarHBondContact O-N 3.18Å; E542-N545 VanDerWaalsContact O-N 3.15Å
543L89.6Confident86.7Confident98 Ų9866.2 Ų66.251%0.51335%0.352SS..Hα-helixtrans-62-46.5174.8-178.867.2000112.3K539 Y540 S541 N545 T546 V549K539-L543 PolarHBondContact O-N 2.96Å; Y540-L543 WeakPolarHBondContact O-CB 3.46Å; Y540-L543 PolarHBondContact O-N 2.94Å; S541-L543 VanDerWaalsContact C-N 3.34Å; S541-L543 PolarHBondContact O-N 2.87Å; L543-N545 PolarHBondContact O-N 2.78Å; L543-T546 WeakPolarHBondContact O-CB 3.49Å; L543-T546 PolarHBondContact O-N 3.2Å; L543-T546 VanDerWaalsContact O-N 3.13Å; L543-T546 PolarHBondContact O-OG1 3Å; L543-V549 HydrophobicContact CD1-CG2 4.03Å; L543-V549 HydrophobicContact CG-CG2 4.27Å; L543-V549 WeakPolarHBondContact O-CB 3.32Å; L543-V549 WeakPolarHBondContact O-CG2 3.44Å
544L89.6Confident87.8Confident2 Ų266 Ų661%0.0135%0.351CS..Hα-helixtrans-62.3-22.5176.2-76.7-177.2000112.7Y540 S541 T546 V549 K550 L838 L842 L891Y540-L544 HydrophobicContact CD1-CD1 3.95Å; Y540-L544 HydrophobicContact CD1-CG 4.46Å; Y540-L544 HydrophobicContact CD2-CG 4.33Å; Y540-L544 HydrophobicContact CE1-CD1 3.37Å; Y540-L544 HydrophobicContact CE1-CG 4.05Å; Y540-L544 HydrophobicContact CE2-CD1 4.13Å; Y540-L544 HydrophobicContact CE2-CD2 4.09Å; Y540-L544 HydrophobicContact CE2-CG 3.91Å; Y540-L544 VanDerWaalsContact CZ-CD1 3.47Å; Y540-L544 WeakPolarHBondContact O-CB 3.29Å; Y540-L544 WeakPolarHBondContact O-CG 3.32Å; Y540-L544 PolarHBondContact O-N 3.08Å; S541-L544 PolarHBondContact O-N 3.34Å; L544-T546 VanDerWaalsContact C-N 3.3Å; L544-V549 HydrophobicContact CD2-CG1 4.04Å; L544-K550 VanDerWaalsContact O-CE 3.3Å; L544-K550 WeakPolarHBondContact O-CE 3.41Å; L544-K550 WeakPolarHBondContact O-CG 3Å; L544-L838 HydrophobicContact CB-CD2 3.95Å; L544-L842 HydrophobicContact CD1-CD1 3.74Å; L544-L891 HydrophobicContact CD2-CD1 3.42Å; L544-L891 VanDerWaalsContact CD2-CD1 3.42Å
545N87Confident89.1Confident58 Ų5869.2 Ų69.231%0.3137%0.373SS..Hα-helixtrans-78-15.8179.3-163.136.7000112.9S541 E542 L543 K550 A835S541-N545 WeakPolarHBondContact O-CB 3.49Å; S541-N545 PolarHBondContact O-N 3.39Å; E542-N545 WeakPolarHBondContact O-CB 3.44Å; E542-N545 PolarHBondContact O-N 3.18Å; E542-N545 VanDerWaalsContact O-N 3.15Å; L543-N545 PolarHBondContact O-N 2.78Å; N545-K550 WeakPolarHBondContact O-CE 3.3Å; N545-K550 PolarHBondContact O-NZ 3.11Å; N545-K550 PolarHBondContact OD1-NZ 3.44Å; N545-A835 VanDerWaalsContact ND2-CB 3.32Å; N545-A835 WeakPolarHBondContact ND2-CB 3.26Å
546T90.9Very high90.1Very high71 Ų7169.7 Ų69.744%0.43638%0.375SS..SBendtrans-65.8132.7176.6-50.80000111.6L543 L544 L548 V549 K550L543-T546 WeakPolarHBondContact O-CB 3.49Å; L543-T546 PolarHBondContact O-N 3.2Å; L543-T546 VanDerWaalsContact O-N 3.13Å; L543-T546 PolarHBondContact O-OG1 3Å; L544-T546 VanDerWaalsContact C-N 3.3Å; T546-L548 VanDerWaalsContact C-N 3.28Å; T546-L548 HydrophobicContact CG2-CB 4.27Å; T546-L548 PolarHBondContact O-N 3.31Å; T546-V549 PolarHBondContact O-N 2.94Å; T546-V549 VanDerWaalsContact O-N 3.13Å; T546-K550 PolarHBondContact O-N 3.3Å
547N89.1Confident90.8Very high126 Ų12668.4 Ų68.467%0.67436%0.359SS*.Hα-helixtrans-57.6-38.7-177.6-72.8-16.5000113K550 T551N547-K550 PolarHBondContact O-N 3.19Å; N547-T551 PolarHBondContact O-N 2.87Å; N547-T551 PolarHBondContact O-OG1 3.41Å
548L91.6Very high91.4Very high129 Ų12968.9 Ų68.968%0.67537%0.371SS*.Hα-helixtrans-57.7-51.6176.1-178.263.8000111.2T546 K550 T551 T552T546-L548 VanDerWaalsContact C-N 3.28Å; T546-L548 HydrophobicContact CG2-CB 4.27Å; T546-L548 PolarHBondContact O-N 3.31Å; L548-K550 PolarHBondContact O-N 2.82Å; L548-T551 PolarHBondContact O-N 3.49Å; L548-T552 PolarHBondContact O-N 3.3Å; L548-T552 PolarHBondContact O-OG1 3.35Å
549V92.2Very high92.1Very high40 Ų4073.3 Ų73.324%0.24238%0.384CS..Hα-helixtrans-63.3-40.8-178.7178.50000111.3L543 L544 T546 T552 A553L543-V549 HydrophobicContact CD1-CG2 4.03Å; L543-V549 HydrophobicContact CG-CG2 4.27Å; L543-V549 WeakPolarHBondContact O-CB 3.32Å; L543-V549 WeakPolarHBondContact O-CG2 3.44Å; L544-V549 HydrophobicContact CD2-CG1 4.04Å; T546-V549 PolarHBondContact O-N 2.94Å; T546-V549 VanDerWaalsContact O-N 3.13Å; V549-T552 PolarHBondContact O-N 3.01Å; V549-A553 WeakPolarHBondContact O-CB 3.45Å; V549-A553 PolarHBondContact O-N 3.27Å
550K90.7Very high92.6Very high41 Ų4167.2 Ų67.218%0.17836%0.357CS..Hα-helixtrans-60.4-51175.2-70.6178.2177.5146.10111.9L544 N545 T546 N547 L548 T552 A553 F554 L895L544-K550 VanDerWaalsContact O-CE 3.3Å; L544-K550 WeakPolarHBondContact O-CE 3.41Å; L544-K550 WeakPolarHBondContact O-CG 3Å; N545-K550 WeakPolarHBondContact O-CE 3.3Å; N545-K550 PolarHBondContact O-NZ 3.11Å; N545-K550 PolarHBondContact OD1-NZ 3.44Å; T546-K550 PolarHBondContact O-N 3.3Å; N547-K550 PolarHBondContact O-N 3.19Å; L548-K550 PolarHBondContact O-N 2.82Å; K550-T552 VanDerWaalsContact C-N 3.32Å; K550-T552 PolarHBondContact O-N 3.29Å; K550-A553 WeakPolarHBondContact O-CB 3.47Å; K550-A553 PolarHBondContact O-N 2.93Å; K550-A553 VanDerWaalsContact O-N 3.16Å; K550-F554 WeakPolarHBondContact O-CD2 3.18Å; K550-F554 PolarHBondContact O-N 2.79Å; K550-L895 HydrophobicContact CG-CD2 4.08Å
551T91.6Very high92.8Very high85 Ų8565.6 Ų65.652%0.52135%0.353SS..Hα-helixtrans-60.1-45.2179.8-56.60000110.5N547 L548 A553 F554 C555N547-T551 PolarHBondContact O-N 2.87Å; N547-T551 PolarHBondContact O-OG1 3.41Å; L548-T551 PolarHBondContact O-N 3.49Å; T551-A553 VanDerWaalsContact C-N 3.34Å; T551-A553 PolarHBondContact O-N 2.81Å; T551-F554 PolarHBondContact O-N 2.99Å; T551-C555 PolarHBondContact O-N 3.27Å; T551-C555 PolarHBondContact O-SG 3.36Å
552T94.4Very high93.2Very high69 Ų6969 Ų6942%0.42338%0.377SS..Hα-helixtrans-59.3-43.3174.6-56.70000111.9L548 V549 K550 F554 C555 L556L548-T552 PolarHBondContact O-N 3.3Å; L548-T552 PolarHBondContact O-OG1 3.35Å; V549-T552 PolarHBondContact O-N 3.01Å; K550-T552 VanDerWaalsContact C-N 3.32Å; K550-T552 PolarHBondContact O-N 3.29Å; T552-F554 PolarHBondContact O-N 2.94Å; T552-C555 PolarHBondContact O-N 3.29Å; T552-L556 HydrophobicContact CG2-CD1 4.07Å; T552-L556 HydrophobicContact CG2-CG 4.35Å; T552-L556 WeakPolarHBondContact O-CB 3.24Å; T552-L556 VanDerWaalsContact O-CG 3.3Å; T552-L556 WeakPolarHBondContact O-CG 3.29Å; T552-L556 PolarHBondContact O-N 2.83Å
553A94.8Very high93.6Very high3 Ų364.2 Ų64.23%0.02536%0.356CS..Hα-helixtrans-62.3-39.7178.400000112.7V549 K550 T551 L556 Y557 L891 W892 L895V549-A553 WeakPolarHBondContact O-CB 3.45Å; V549-A553 PolarHBondContact O-N 3.27Å; K550-A553 WeakPolarHBondContact O-CB 3.47Å; K550-A553 PolarHBondContact O-N 2.93Å; K550-A553 VanDerWaalsContact O-N 3.16Å; T551-A553 VanDerWaalsContact C-N 3.34Å; T551-A553 PolarHBondContact O-N 2.81Å; A553-L556 PolarHBondContact O-N 3.25Å; A553-Y557 PolarHBondContact O-N 3.47Å; A553-L891 HydrophobicContact CB-CD1 3.93Å; A553-L891 HydrophobicContact CB-CD2 4.3Å; A553-L891 HydrophobicContact CB-CG 4.2Å; A553-W892 PolarHBondContact O-NE1 3.06Å; A553-L895 HydrophobicContact CB-CD1 3.69Å
554F94.6Very high94Very high78 Ų7859.6 Ų59.634%0.34233%0.331SS..Hα-helixtrans-70-38.1174.5-72.6-65.8000112.6K550 T551 T552 Y557 G558 L895 F896K550-F554 WeakPolarHBondContact O-CD2 3.18Å; K550-F554 PolarHBondContact O-N 2.79Å; T551-F554 PolarHBondContact O-N 2.99Å; T552-F554 PolarHBondContact O-N 2.94Å; F554-Y557 WeakPolarHBondContact O-CB 3.47Å; F554-Y557 PolarHBondContact O-N 3.17Å; F554-G558 PolarHBondContact O-N 2.81Å; F554-L895 HydrophobicContact CZ-CB 4.33Å; F554-F896 HydrophobicContact CD1-CE1 4Å; F554-F896 AromaticContact CE1-CD1 3.73Å; F554-F896 HydrophobicContact CE1-CD1 3.73Å; F554-F896 AromaticContact CE1-CE1 3.56Å; F554-F896 HydrophobicContact CE1-CE1 3.56Å
555C96.1Very high94.3Very high85 Ų8563.5 Ų63.557%0.57435%0.352SS*.Hα-helixtrans-63-42.9172.6-68.10000111.7T551 T552 Y557 G558 F559T551-C555 PolarHBondContact O-N 3.27Å; T551-C555 PolarHBondContact O-SG 3.36Å; T552-C555 PolarHBondContact O-N 3.29Å; C555-Y557 VanDerWaalsContact C-N 3.3Å; C555-Y557 PolarHBondContact O-N 3.31Å; C555-G558 PolarHBondContact O-N 3.44Å; C555-F559 PolarHBondContact O-N 3.19Å
556L96.1Very high94.7Very high94 Ų9467.7 Ų67.749%0.49236%0.363SS..Hα-helixtrans-62.5-37.2175.2-73.4172.3000111.9T552 A553 F559 Y560T552-L556 HydrophobicContact CG2-CD1 4.07Å; T552-L556 HydrophobicContact CG2-CG 4.35Å; T552-L556 WeakPolarHBondContact O-CB 3.24Å; T552-L556 VanDerWaalsContact O-CG 3.3Å; T552-L556 WeakPolarHBondContact O-CG 3.29Å; T552-L556 PolarHBondContact O-N 2.83Å; A553-L556 PolarHBondContact O-N 3.25Å; L556-F559 PolarHBondContact O-N 2.91Å; L556-Y560 VanDerWaalsContact O-CB 3.27Å; L556-Y560 WeakPolarHBondContact O-CB 3.48Å; L556-Y560 PolarHBondContact O-N 3.41Å
557Y97Very high95Very high28 Ų2864.3 Ų64.311%0.1134%0.343CS..Hα-helixtrans-62-45.3172-177.3-102.4000111.9A553 F554 C555 F559 Y560 I561 F779 S783 W892 F896A553-Y557 PolarHBondContact O-N 3.47Å; F554-Y557 WeakPolarHBondContact O-CB 3.47Å; F554-Y557 PolarHBondContact O-N 3.17Å; C555-Y557 VanDerWaalsContact C-N 3.3Å; C555-Y557 PolarHBondContact O-N 3.31Å; Y557-F559 VanDerWaalsContact C-N 3.32Å; Y557-F559 PolarHBondContact O-N 3.31Å; Y557-Y560 HydrophobicContact CD2-CD1 4.14Å; Y557-Y560 HydrophobicContact CE2-CD1 4.2Å; Y557-Y560 HydrophobicContact CE2-CE1 4.36Å; Y557-Y560 WeakPolarHBondContact O-CB 3.36Å; Y557-Y560 PolarHBondContact O-N 2.82Å; Y557-I561 WeakPolarHBondContact O-CG2 3.27Å; Y557-I561 PolarHBondContact O-N 3.22Å; Y557-F779 HydrophobicContact CE1-CZ 4.37Å; Y557-F779 WeakPolarHBondContact OH-CE1 3.42Å; Y557-F779 WeakPolarHBondContact OH-CZ 3.29Å; Y557-S783 WeakPolarHBondContact CE2-OG 3.43Å; Y557-S783 WeakPolarHBondContact OH-CB 3.3Å; Y557-S783 PolarHBondContact OH-OG 3.45Å; Y557-W892 HydrophobicContact CD2-CB 4.49Å; Y557-W892 AromaticContact CD2-CD2 3.62Å; Y557-W892 HydrophobicContact CD2-CD2 3.62Å; Y557-W892 AromaticContact CD2-CE2 3.86Å; Y557-W892 AromaticContact CD2-CE3 3.83Å; Y557-W892 HydrophobicContact CD2-CE3 3.83Å; Y557-W892 AromaticContact CD2-CG 3.93Å; Y557-W892 HydrophobicContact CD2-CG 3.93Å; Y557-W892 HydrophobicContact CD2-CH2 4.46Å; Y557-W892 HydrophobicContact CD2-CZ2 4.28Å; Y557-W892 HydrophobicContact CD2-CZ3 4.25Å; Y557-W892 HydrophobicContact CE2-CD2 4.47Å; Y557-W892 HydrophobicContact CE2-CE3 4.34Å; Y557-W892 HydrophobicContact CG-CD2 4.45Å; Y557-F896 HydrophobicContact CD1-CZ 4.04Å; Y557-F896 HydrophobicContact CD2-CZ 4.1Å; Y557-F896 AromaticContact CE1-CZ 3.99Å; Y557-F896 HydrophobicContact CE1-CZ 3.99Å; Y557-F896 HydrophobicContact CE2-CE2 4.24Å; Y557-F896 HydrophobicContact CE2-CZ 4.05Å; Y557-F896 HydrophobicContact CG-CZ 4.09Å; Y557-F896 AromaticContact CZ-CZ 4Å
558G96.4Very high95.1Very high32 Ų3259.4 Ų59.433%0.3332%0.318SS..Hα-helixtrans-60.3-39.6176.500000113F554 C555 I561 S562F554-G558 PolarHBondContact O-N 2.81Å; C555-G558 PolarHBondContact O-N 3.44Å; G558-I561 WeakPolarHBondContact O-CG2 3.3Å; G558-S562 WeakPolarHBondContact O-CB 3.44Å; G558-S562 PolarHBondContact O-N 2.78Å; G558-S562 PolarHBondContact O-OG 2.94Å
559F96.6Very high95.2Very high139 Ų13958.6 Ų58.661%0.6132%0.322SS*.Hα-helixtrans-67.1-48.1173.7178.9-103000111.9C555 L556 Y557 I561 S562 L563C555-F559 PolarHBondContact O-N 3.19Å; L556-F559 PolarHBondContact O-N 2.91Å; Y557-F559 VanDerWaalsContact C-N 3.32Å; Y557-F559 PolarHBondContact O-N 3.31Å; F559-I561 PolarHBondContact O-N 2.9Å; F559-S562 PolarHBondContact O-N 2.65Å; F559-L563 HydrophobicContact CE1-CD2 4.26Å; F559-L563 HydrophobicContact CZ-CD2 4.4Å; F559-L563 PolarHBondContact O-N 2.91Å
560Y97.4Very high95.2Very high15 Ų1563.1 Ų63.16%0.05934%0.339CS..Hα-helixtrans-53.4-52.1176.9158.4-96.4000111.8L556 Y557 S562 L563 A564 S783 M784 G787 F791 I884 H888 W892L556-Y560 VanDerWaalsContact O-CB 3.27Å; L556-Y560 WeakPolarHBondContact O-CB 3.48Å; L556-Y560 PolarHBondContact O-N 3.41Å; Y557-Y560 HydrophobicContact CD2-CD1 4.14Å; Y557-Y560 HydrophobicContact CE2-CD1 4.2Å; Y557-Y560 HydrophobicContact CE2-CE1 4.36Å; Y557-Y560 WeakPolarHBondContact O-CB 3.36Å; Y557-Y560 PolarHBondContact O-N 2.82Å; Y560-S562 VanDerWaalsContact C-N 3.32Å; Y560-S562 PolarHBondContact O-N 3.13Å; Y560-L563 PolarHBondContact O-N 3.43Å; Y560-A564 VanDerWaalsContact O-CB 3.27Å; Y560-A564 WeakPolarHBondContact O-CB 3.44Å; Y560-A564 PolarHBondContact O-N 3.25Å; Y560-S783 PolarHBondContact OH-O 2.88Å; Y560-M784 WeakPolarHBondContact OH-CA 3.38Å; Y560-G787 WeakPolarHBondContact OH-CA 3.37Å; Y560-F791 AromaticContact CD2-CE2 3.69Å; Y560-F791 HydrophobicContact CD2-CE2 3.69Å; Y560-F791 HydrophobicContact CD2-CZ 4.23Å; Y560-F791 HydrophobicContact CE2-CD2 4.44Å; Y560-F791 AromaticContact CE2-CE2 3.69Å; Y560-F791 HydrophobicContact CE2-CE2 3.69Å; Y560-I884 HydrophobicContact CE2-CD1 4.48Å; Y560-I884 HydrophobicContact CE2-CG2 3.84Å; Y560-I884 WeakPolarHBondContact OH-CG2 3.28Å; Y560-H888 AromaticContact CE1-CE1 3.73Å; Y560-H888 AromaticContact CE1-NE2 3.9Å; Y560-H888 AromaticContact CZ-CE1 3.62Å; Y560-H888 PolarHBondContact OH-CE1 2.96Å; Y560-W892 AromaticContact CD1-CH2 3.8Å; Y560-W892 HydrophobicContact CD1-CH2 3.8Å; Y560-W892 AromaticContact CD1-CZ3 3.86Å; Y560-W892 HydrophobicContact CD1-CZ3 3.86Å; Y560-W892 AromaticContact CD2-CH2 3.89Å; Y560-W892 HydrophobicContact CD2-CH2 3.89Å; Y560-W892 HydrophobicContact CD2-CZ3 4.23Å; Y560-W892 HydrophobicContact CE1-CH2 4.46Å; Y560-W892 HydrophobicContact CE1-CZ3 4.11Å; Y560-W892 HydrophobicContact CE2-CZ3 4.42Å; Y560-W892 AromaticContact CG-CH2 3.5Å; Y560-W892 HydrophobicContact CG-CH2 3.5Å; Y560-W892 VanDerWaalsContact CG-CH2 3.5Å; Y560-W892 HydrophobicContact CG-CZ2 4.38Å; Y560-W892 AromaticContact CG-CZ3 3.96Å; Y560-W892 HydrophobicContact CG-CZ3 3.96Å
561I97Very high95.2Very high36 Ų3663.4 Ų63.419%0.18534%0.341CS..Hα-helixtrans-68.3-34.4-176.2-164.763.3000111.7Y557 G558 F559 A564 L565 L786Y557-I561 WeakPolarHBondContact O-CG2 3.27Å; Y557-I561 PolarHBondContact O-N 3.22Å; G558-I561 WeakPolarHBondContact O-CG2 3.3Å; F559-I561 PolarHBondContact O-N 2.9Å; I561-A564 PolarHBondContact O-N 3.37Å; I561-L565 HydrophobicContact CG1-CD1 4.3Å; I561-L565 WeakPolarHBondContact O-CB 3.5Å; I561-L565 VanDerWaalsContact O-CG 3.3Å; I561-L565 WeakPolarHBondContact O-CG 3.45Å; I561-L565 PolarHBondContact O-N 2.89Å; I561-L786 HydrophobicContact CD1-CD1 4.29Å
562S97Very high95Very high75 Ų7567 Ų6752%0.52435%0.35SS..Hα-helixtrans-65.6-43176.3-58.90000111.4G558 F559 Y560 W566G558-S562 WeakPolarHBondContact O-CB 3.44Å; G558-S562 PolarHBondContact O-N 2.78Å; G558-S562 PolarHBondContact O-OG 2.94Å; F559-S562 PolarHBondContact O-N 2.65Å; Y560-S562 VanDerWaalsContact C-N 3.32Å; Y560-S562 PolarHBondContact O-N 3.13Å; S562-W566 WeakPolarHBondContact O-CB 3.44Å; S562-W566 PolarHBondContact O-N 2.55Å
563L96.2Very high94.4Very high45 Ų4565.3 Ų65.324%0.23634%0.339CS..Hα-helixtrans-68.5-39.9176.8-173.462.8000111.8F559 Y560 W566 G567 F791F559-L563 HydrophobicContact CE1-CD2 4.26Å; F559-L563 HydrophobicContact CZ-CD2 4.4Å; F559-L563 PolarHBondContact O-N 2.91Å; Y560-L563 PolarHBondContact O-N 3.43Å; L563-W566 HydrophobicContact CD1-CE3 3.76Å; L563-W566 HydrophobicContact CD1-CZ3 4.11Å; L563-W566 PolarHBondContact O-N 2.94Å; L563-G567 PolarHBondContact O-N 3.41Å; L563-F791 HydrophobicContact CD2-CE1 3.52Å; L563-F791 HydrophobicContact CD2-CZ 3.76Å; L563-F791 HydrophobicContact CG-CE1 4.24Å; L563-F791 HydrophobicContact CG-CZ 4.31Å
564A96.8Very high93.5Very high0 Ų067.6 Ų67.60%035%0.351CS..Hα-helixtrans-61.1-46.8175.800000112.2Y560 I561 G567 S568 G790Y560-A564 VanDerWaalsContact O-CB 3.27Å; Y560-A564 WeakPolarHBondContact O-CB 3.44Å; Y560-A564 PolarHBondContact O-N 3.25Å; I561-A564 PolarHBondContact O-N 3.37Å; A564-G567 PolarHBondContact O-N 3.09Å; A564-S568 WeakPolarHBondContact O-CB 3.43Å; A564-S568 PolarHBondContact O-N 3.36Å; A564-S568 PolarHBondContact O-OG 2.71Å; A564-G790 WeakPolarHBondContact O-CA 3.4Å
565L95.9Very high92.1Very high84 Ų8464.7 Ų64.744%0.4434%0.339SS..Hα-helixtrans-64-44.6175.4-75.3169.8000111.7I561 G567 S568 C569 L786I561-L565 HydrophobicContact CG1-CD1 4.3Å; I561-L565 WeakPolarHBondContact O-CB 3.5Å; I561-L565 VanDerWaalsContact O-CG 3.3Å; I561-L565 WeakPolarHBondContact O-CG 3.45Å; I561-L565 PolarHBondContact O-N 2.89Å; L565-G567 PolarHBondContact O-N 3.45Å; L565-S568 PolarHBondContact O-N 3.4Å; L565-C569 PolarHBondContact O-N 3.37Å; L565-C569 PolarHBondContact O-SG 3.41Å; L565-C569 VanDerWaalsContact O-SG 3.33Å; L565-L786 HydrophobicContact CD2-CD1 4.26Å; L565-L786 HydrophobicContact CD2-CD2 4.44Å
566W96.9Very high90.7Very high147 Ų14761.2 Ų61.256%0.55732%0.316SS*.Hα-helixtrans-60.1-45.7177174.679.5000112.1S562 L563 C569 K570 V794S562-W566 WeakPolarHBondContact O-CB 3.44Å; S562-W566 PolarHBondContact O-N 2.55Å; L563-W566 HydrophobicContact CD1-CE3 3.76Å; L563-W566 HydrophobicContact CD1-CZ3 4.11Å; L563-W566 PolarHBondContact O-N 2.94Å; W566-C569 PolarHBondContact O-N 3.48Å; W566-K570 WeakPolarHBondContact O-CG 3.45Å; W566-K570 PolarHBondContact O-N 3.43Å; W566-V794 HydrophobicContact CE3-CG2 4.11Å; W566-V794 HydrophobicContact CZ3-CG2 3.71Å
567G95.5Very high89.5Confident0 Ų057.6 Ų57.60%030%0.296CS..Hα-helixtrans-63-43.5176.100000112.2L563 A564 L565 C569 K570 I571 S793L563-G567 PolarHBondContact O-N 3.41Å; A564-G567 PolarHBondContact O-N 3.09Å; L565-G567 PolarHBondContact O-N 3.45Å; G567-C569 VanDerWaalsContact C-N 3.33Å; G567-C569 PolarHBondContact O-N 2.7Å; G567-K570 CarbonylContact O-C 3.52Å; G567-K570 PolarHBondContact O-N 2.83Å; G567-I571 PolarHBondContact O-N 3.03Å; G567-S793 WeakPolarHBondContact O-CB 3.49Å; G567-S793 PolarHBondContact O-OG 3.34Å
568S93.1Very high88.3Confident22 Ų2257.4 Ų57.415%0.15430%0.299CS..Hα-helixtrans-62-39.7179.5-62.10000111.8A564 L565 K570 I571 L786 G790A564-S568 WeakPolarHBondContact O-CB 3.43Å; A564-S568 PolarHBondContact O-N 3.36Å; A564-S568 PolarHBondContact O-OG 2.71Å; L565-S568 PolarHBondContact O-N 3.4Å; S568-K570 PolarHBondContact O-N 2.95Å; S568-I571 VanDerWaalsContact O-CG2 3.28Å; S568-I571 WeakPolarHBondContact O-CG2 2.96Å; S568-I571 PolarHBondContact O-N 3.49Å; S568-L786 PolarHBondContact OG-O 3.24Å; S568-G790 PolarHBondContact OG-N 3.25Å
569C93.4Very high87.5Confident113 Ų11357.6 Ų57.676%0.76429%0.292SS*.THydrogen-bonded Turntrans-69.7-14.5174.5-68.60000114.1L565 W566 G567L565-C569 PolarHBondContact O-N 3.37Å; L565-C569 PolarHBondContact O-SG 3.41Å; L565-C569 VanDerWaalsContact O-SG 3.33Å; W566-C569 PolarHBondContact O-N 3.48Å; G567-C569 VanDerWaalsContact C-N 3.33Å; G567-C569 PolarHBondContact O-N 2.7Å
570K92Very high86.9Confident135 Ų13551.9 Ų51.959%0.58727%0.268SS*.THydrogen-bonded Turntrans-105.10-178.6-73.4-67.1-175.6-175.40113.8W566 G567 S568 K572W566-K570 WeakPolarHBondContact O-CG 3.45Å; W566-K570 PolarHBondContact O-N 3.43Å; G567-K570 CarbonylContact O-C 3.52Å; G567-K570 PolarHBondContact O-N 2.83Å; S568-K570 PolarHBondContact O-N 2.95Å; K570-K572 PolarHBondContact O-N 3.33Å
571I90.2Very high86.3Confident46 Ų4651.2 Ų51.224%0.23627%0.265CS..PPolyproline II helixtrans-60.1125.3179.6-162.1168.6000109.7G567 S568 I789 S793 L799G567-I571 PolarHBondContact O-N 3.03Å; S568-I571 VanDerWaalsContact O-CG2 3.28Å; S568-I571 WeakPolarHBondContact O-CG2 2.96Å; S568-I571 PolarHBondContact O-N 3.49Å; I571-I789 HydrophobicContact CD1-CG2 4Å; I571-S793 WeakPolarHBondContact CA-OG 3.39Å; I571-S793 PolarHBondContact N-OG 3.09Å; I571-L799 HydrophobicContact CD1-CB 3.9Å; I571-L799 HydrophobicContact CD1-CD1 4.2Å; I571-L799 HydrophobicContact CG1-CB 4.05Å
572K86.8Confident85.9Confident161 Ų16149.6 Ų49.670%0.726%0.257SS*.PPolyproline II helixtrans-97.9134.9178-66.1-176.5-179.2-179.10108.9K570 T798 L799K570-K572 PolarHBondContact O-N 3.33Å; K572-T798 HydrophobicContact CB-CG2 4.42Å; K572-T798 CarbonylContact O-C 3.58Å; K572-T798 VanDerWaalsContact O-CA 3.23Å; K572-T798 WeakPolarHBondContact O-CA 3.35Å; K572-T798 VanDerWaalsContact O-CB 3.26Å; K572-T798 WeakPolarHBondContact O-CB 3.4Å; K572-L799 PolarHBondContact O-N 3.29Å
573V83.1Confident85.4Confident34 Ų3448.9 Ų48.921%0.20625%0.247CC..BIsolated β-bridgetrans-79.4126.9167.9-171.40000107.2Y742 P746 L799V573-Y742 HydrophobicContact CB-CD2 4.11Å; V573-Y742 HydrophobicContact CB-CE2 3.56Å; V573-Y742 HydrophobicContact CG1-CD2 3.46Å; V573-Y742 VanDerWaalsContact CG1-CD2 3.46Å; V573-Y742 HydrophobicContact CG1-CE2 3.47Å; V573-Y742 VanDerWaalsContact CG1-CE2 3.47Å; V573-Y742 HydrophobicContact CG1-CG 4.33Å; V573-P746 HydrophobicContact CG2-CG 3.72Å; V573-L799 WeakPolarHBondContact CA-O 3.31Å; V573-L799 HydrophobicContact CG2-CB 4.33Å; V573-L799 HydrophobicContact CG2-CD2 4.39Å
574N75Confident84.8Confident51 Ų5154.8 Ų54.827%0.27327%0.274SS..  trans-138.3133.4173.1-169.47.3000109.7M579 T798 L799N574-M579 HydrophobicContact CB-CE 4.1Å; N574-M579 WeakPolarHBondContact ND2-CE 3.45Å; N574-T798 HydrophobicContact CB-CG2 3.6Å; N574-L799 PolarHBondContact N-O 3.43Å
575M66.5Low84.2Confident17 Ų1755 Ų558%0.08428%0.276CS..  trans-130.658.9-174.4-68.9-55.1-59.700109.9V738 Q741 Y742 I745 D800 P801M575-V738 HydrophobicContact CB-CG1 3.82Å; M575-V738 WeakPolarHBondContact O-CG1 3.07Å; M575-Q741 HydrophobicContact CE-CB 4.23Å; M575-Q741 HydrophobicContact CE-CG 3.63Å; M575-Y742 HydrophobicContact CB-CD2 4.46Å; M575-Y742 HydrophobicContact CG-CD2 4.02Å; M575-I745 HydrophobicContact CE-CD1 3.92Å; M575-I745 HydrophobicContact CG-CD1 3.95Å; M575-I745 HydrophobicContact SD-CD1 3.2Å; M575-I745 WeakPolarHBondContact SD-CD1 3.26Å; M575-D800 HydrophobicContact SD-CB 4.04Å; M575-P801 HydrophobicContact CE-CG 4.16Å
576S66.6Low83.3Confident12 Ų1254.5 Ų54.58%0.08428%0.277CS..  trans-88.1128.8167.385.90000108.6S578 M579S576-S578 PolarHBondContact O-N 3.17Å; S576-S578 VanDerWaalsContact O-N 3.08Å; S576-S578 PolarHBondContact OG-OG 3.47Å; S576-M579 PolarHBondContact O-N 2.91Å; S576-M579 VanDerWaalsContact O-N 3.1Å
577L70.5Confident82.7Confident17 Ų1747.6 Ų47.69%0.08925%0.251CS..G310 helixtrans-53.5-28.7171.4-119.383.1000111.5L57 V271 M579 L580 F591 Y737 V738L57-L577 HydrophobicContact CD1-CD1 4.43Å; L57-L577 HydrophobicContact CD1-CD2 3.67Å; L57-L577 HydrophobicContact CD1-CG 3.67Å; L57-L577 HydrophobicContact CD2-CD1 3.57Å; L57-L577 HydrophobicContact CD2-CD2 3.97Å; L57-L577 HydrophobicContact CD2-CG 3.75Å; L57-L577 HydrophobicContact CG-CD2 4.46Å; L57-L577 HydrophobicContact CG-CG 4.4Å; V271-L577 HydrophobicContact CG1-CD2 3.74Å; L577-M579 PolarHBondContact O-N 3.14Å; L577-M579 VanDerWaalsContact O-N 3.14Å; L577-L580 WeakPolarHBondContact O-CB 3.38Å; L577-L580 PolarHBondContact O-N 2.99Å; L577-F591 HydrophobicContact CB-CD1 3.9Å; L577-F591 HydrophobicContact CB-CE1 3.43Å; L577-F591 VanDerWaalsContact CB-CE1 3.43Å; L577-F591 HydrophobicContact CB-CE2 4.23Å; L577-F591 HydrophobicContact CB-CZ 3.62Å; L577-F591 HydrophobicContact CD2-CE1 3.74Å; L577-F591 HydrophobicContact CD2-CZ 3.48Å; L577-F591 VanDerWaalsContact CD2-CZ 3.48Å; L577-F591 HydrophobicContact CG-CE1 4.2Å; L577-F591 HydrophobicContact CG-CZ 4.2Å; L577-Y737 HydrophobicContact CD1-CE2 4.06Å; L577-V738 HydrophobicContact CD1-CG2 3.83Å
578S71.9Confident82Confident24 Ų2449.6 Ų49.617%0.16826%0.26CS..G310 helixtrans-55.4-30179.183.90000113.4S576 L580 L581 H588S576-S578 PolarHBondContact O-N 3.17Å; S576-S578 VanDerWaalsContact O-N 3.08Å; S576-S578 PolarHBondContact OG-OG 3.47Å; S578-L580 VanDerWaalsContact C-N 3.26Å; S578-L580 PolarHBondContact O-N 3.19Å; S578-L581 WeakPolarHBondContact O-CB 3.17Å; S578-L581 PolarHBondContact O-N 3.39Å; S578-L581 VanDerWaalsContact O-N 3.07Å; S578-H588 PolarHBondContact O-CE1 3.49Å
579M79.8Confident81.2Confident36 Ų3656.8 Ų56.818%0.17728%0.284CS..G310 helixtrans-68.4-23.4178.5-73.9174.5171.900113.6N574 S576 L577 L581 T798 Y869 V870N574-M579 HydrophobicContact CB-CE 4.1Å; N574-M579 WeakPolarHBondContact ND2-CE 3.45Å; S576-M579 PolarHBondContact O-N 2.91Å; S576-M579 VanDerWaalsContact O-N 3.1Å; L577-M579 PolarHBondContact O-N 3.14Å; L577-M579 VanDerWaalsContact O-N 3.14Å; M579-L581 VanDerWaalsContact C-N 3.27Å; M579-T798 HydrophobicContact CE-CG2 4.42Å; M579-T798 WeakPolarHBondContact CE-OG1 3.43Å; M579-Y869 HydrophobicContact CB-CD1 3.77Å; M579-Y869 HydrophobicContact CB-CE1 3.91Å; M579-Y869 HydrophobicContact CG-CD1 4.16Å; M579-Y869 HydrophobicContact CG-CE1 4.07Å; M579-Y869 WeakPolarHBondContact O-CD1 3.29Å; M579-Y869 HydrophobicContact SD-CE1 4.14Å; M579-V870 WeakPolarHBondContact O-CG2 3.36Å
580L82.4Confident80.5Confident19 Ų1951.8 Ų51.810%0.09925%0.249CC..G310 helixtrans-82.1-10.9175.5-62.7175.6000112L57 Y61 V275 N278 L577 S578 I802 V870L57-L580 HydrophobicContact CD1-CB 4.49Å; L57-L580 HydrophobicContact CD1-CD1 3.71Å; L57-L580 HydrophobicContact CD2-CD1 4.35Å; L57-L580 HydrophobicContact CG-CD1 3.94Å; Y61-L580 HydrophobicContact CD1-CD1 4.25Å; Y61-L580 HydrophobicContact CD2-CD1 4.08Å; Y61-L580 HydrophobicContact CE1-CD1 3.96Å; Y61-L580 HydrophobicContact CE1-CD2 3.91Å; Y61-L580 HydrophobicContact CE2-CD1 3.79Å; Y61-L580 HydrophobicContact CG-CD1 4.28Å; Y61-L580 WeakPolarHBondContact OH-CD2 3.49Å; V275-L580 HydrophobicContact CG2-CB 4.13Å; N278-L580 PolarHBondContact ND2-O 3.11Å; L577-L580 WeakPolarHBondContact O-CB 3.38Å; L577-L580 PolarHBondContact O-N 2.99Å; S578-L580 VanDerWaalsContact C-N 3.26Å; S578-L580 PolarHBondContact O-N 3.19Å; L580-I802 HydrophobicContact CD2-CD1 4.14Å; L580-I802 HydrophobicContact CD2-CG1 3.96Å; L580-V870 HydrophobicContact CD2-CG2 4.01Å
581L85Confident79.9Confident1 Ų145.5 Ų45.51%0.00522%0.222CC..SBendtrans-86.6152.7177.7-49.6177.1000111.2E274 V275 S578 M579 L587 F591E274-L581 HydrophobicContact CB-CD2 3.69Å; V275-L581 HydrophobicContact CG2-CD2 4.45Å; S578-L581 WeakPolarHBondContact O-CB 3.17Å; S578-L581 PolarHBondContact O-N 3.39Å; S578-L581 VanDerWaalsContact O-N 3.07Å; M579-L581 VanDerWaalsContact C-N 3.27Å; L581-L587 HydrophobicContact CD1-CB 3.53Å; L581-L587 HydrophobicContact CD1-CD1 4.18Å; L581-L587 HydrophobicContact CD2-CD1 4.14Å; L581-F591 HydrophobicContact CD1-CD2 3.72Å; L581-F591 HydrophobicContact CD1-CE2 3.74Å
582V88.6Confident79.2Confident2 Ų249.1 Ų49.11%0.01224%0.238CC..BIsolated β-bridgetrans-65.2149.9167.8-65.60000111.5E274 R277 N278 L281 Q584 S585 H588E274-V582 VanDerWaalsContact OE2-CG2 3.24Å; E274-V582 WeakPolarHBondContact OE2-CG2 3.48Å; R277-V582 HydrophobicContact CB-CG1 4.42Å; R277-V582 VanDerWaalsContact CZ-CG2 3.48Å; N278-V582 WeakPolarHBondContact OD1-CG1 3.15Å; L281-V582 HydrophobicContact CD1-CB 4.24Å; L281-V582 HydrophobicContact CD1-CG1 3.66Å; V582-Q584 VanDerWaalsContact C-N 3.27Å; V582-Q584 PolarHBondContact O-N 2.83Å; V582-Q584 VanDerWaalsContact O-N 3.16Å; V582-S585 WeakPolarHBondContact O-CB 3.43Å; V582-S585 PolarHBondContact O-N 2.69Å; V582-H588 PolarHBondContact O-NE2 2.86Å
583D86.9Confident78.4Confident61 Ų6141.6 Ų41.633%0.32621%0.205SC..THydrogen-bonded Turntrans-61.3-32.6-167.9-66.5-17.2000113.5S585 H588 P867 R872D583-S585 VanDerWaalsContact C-N 3.29Å; D583-S585 PolarHBondContact O-N 3.16Å; D583-H588 PolarHBondContact O-CD2 2.84Å; D583-P867 HydrophobicContact CB-CB 4.42Å; D583-P867 PolarHBondContact N-O 3.04Å; D583-P867 WeakPolarHBondContact OD2-CA 3.46Å; D583-R872 IonicContact OD1-CZ 3.1Å; D583-R872 IonicContact OD1-NH2 3.46Å; D583-R872 PolarHBondContact OD1-NH2 3.28Å; D583-R872 IonicContact OD2-CZ 2.85Å; D583-R872 IonicContact OD2-NE 3.9Å; D583-R872 IonicContact OD2-NH1 3.04Å; D583-R872 IonicContact OD2-NH2 3.89Å; D583-R872 PolarHBondContact OD2-NH2 2.94Å
584Q83.1Confident77.9Confident168 Ų16840.7 Ų40.779%0.78520%0.199SC*.THydrogen-bonded Turntrans-88.18.4-179.5-63.8-171.7-16.400113.6V582V582-Q584 VanDerWaalsContact C-N 3.27Å; V582-Q584 PolarHBondContact O-N 2.83Å; V582-Q584 VanDerWaalsContact O-N 3.16Å
585S85.1Confident77.6Confident6 Ų640.3 Ų40.34%0.04220%0.197CC..  trans-64.1130.5-177.8-165.50000111.5E274 V582 D583 L587 H588E274-S585 WeakPolarHBondContact CG-OG 3.35Å; E274-S585 WeakPolarHBondContact OE2-CB 3.27Å; E274-S585 PolarHBondContact OE2-OG 3.5Å; V582-S585 WeakPolarHBondContact O-CB 3.43Å; V582-S585 PolarHBondContact O-N 2.69Å; D583-S585 VanDerWaalsContact C-N 3.29Å; D583-S585 PolarHBondContact O-N 3.16Å; S585-L587 PolarHBondContact O-N 2.9Å; S585-H588 PolarHBondContact O-CD2 2.74Å; S585-H588 PolarHBondContact O-N 3.28Å
586P77.6Confident77.6Confident73 Ų7343.3 Ų43.347%0.47421%0.211SC..THydrogen-bonded Turntrans-64.1-22.4174.627.3-34.1000112.2H588 R589P586-H588 PolarHBondContact O-N 2.95Å; P586-R589 PolarHBondContact O-N 3.16Å
587L83.2Confident77.4Confident2 Ų243.6 Ų43.61%0.0121%0.21CC..THydrogen-bonded Turntrans-66.3-20.1179.9-67.7-179.4000113.6T265 I270 V271 E274 L581 S585 R589 F590 F591T265-L587 WeakPolarHBondContact O-CD2 3.44Å; I270-L587 HydrophobicContact CB-CD1 4.44Å; I270-L587 HydrophobicContact CG2-CD1 3.86Å; I270-L587 HydrophobicContact CG2-CD2 4.09Å; I270-L587 HydrophobicContact CG2-CG 4.05Å; V271-L587 HydrophobicContact CB-CD1 4.28Å; V271-L587 HydrophobicContact CG2-CD1 3.68Å; E274-L587 HydrophobicContact CB-CD1 4.33Å; E274-L587 HydrophobicContact CG-CD1 3.89Å; L581-L587 HydrophobicContact CD1-CB 3.53Å; L581-L587 HydrophobicContact CD1-CD1 4.18Å; L581-L587 HydrophobicContact CD2-CD1 4.14Å; S585-L587 PolarHBondContact O-N 2.9Å; L587-R589 PolarHBondContact O-N 3.32Å; L587-F590 WeakPolarHBondContact O-CA 3.34Å; L587-F590 WeakPolarHBondContact O-CB 3.47Å; L587-F590 PolarHBondContact O-N 3.43Å; L587-F591 HydrophobicContact CB-CD2 4.13Å; L587-F591 HydrophobicContact CB-CE2 4.03Å; L587-F591 HydrophobicContact CD1-CE2 4.37Å; L587-F591 VanDerWaalsContact O-CD2 3.26Å; L587-F591 WeakPolarHBondContact O-CD2 3.19Å; L587-F591 PolarHBondContact O-N 3.43Å
588H81.9Confident77.1Confident41 Ų4145.6 Ų45.619%0.1922%0.22CC..Hα-helixtrans-53.6-41.1173.3-78.2-66.2000111.4S578 V582 D583 S585 P586 F590 F591 E592S578-H588 PolarHBondContact O-CE1 3.49Å; V582-H588 PolarHBondContact O-NE2 2.86Å; D583-H588 PolarHBondContact O-CD2 2.84Å; S585-H588 PolarHBondContact O-CD2 2.74Å; S585-H588 PolarHBondContact O-N 3.28Å; P586-H588 PolarHBondContact O-N 2.95Å; H588-F590 VanDerWaalsContact C-N 3.27Å; H588-F590 PolarHBondContact O-N 2.73Å; H588-F591 PolarHBondContact O-N 2.87Å; H588-E592 WeakPolarHBondContact O-CB 3.49Å; H588-E592 VanDerWaalsContact O-CG 3.29Å; H588-E592 WeakPolarHBondContact O-CG 3.19Å; H588-E592 PolarHBondContact O-N 3.41Å
589R75.3Confident76.9Confident173 Ų17345.7 Ų45.765%0.65322%0.217SC*.Hα-helixtrans-67-27.4177.1-66.4-177.8-177.2166.72.4113.5P586 L587 V593P586-R589 PolarHBondContact O-N 3.16Å; L587-R589 PolarHBondContact O-N 3.32Å; R589-V593 WeakPolarHBondContact O-CG2 3.17Å
590F79.7Confident76.4Confident8 Ų845 Ų454%0.03522%0.216CC..Hα-helixtrans-74.4-51.4174.2176.5-92.8000109.8L114 A264 Y266 L587 H588 E592 V593 E594L114-F590 HydrophobicContact CB-CD2 4.2Å; L114-F590 HydrophobicContact CB-CE2 4.07Å; L114-F590 HydrophobicContact CD2-CD2 3.99Å; L114-F590 HydrophobicContact CD2-CE2 3.86Å; A264-F590 HydrophobicContact CB-CB 3.92Å; A264-F590 HydrophobicContact CB-CD2 4.26Å; Y266-F590 HydrophobicContact CD1-CE1 4.2Å; Y266-F590 AromaticContact CD1-CZ 4Å; Y266-F590 HydrophobicContact CD1-CZ 4Å; Y266-F590 AromaticContact CD2-CD1 3.54Å; Y266-F590 HydrophobicContact CD2-CD1 3.54Å; Y266-F590 AromaticContact CD2-CE1 3.23Å; Y266-F590 HydrophobicContact CD2-CE1 3.23Å; Y266-F590 HydrophobicContact CD2-CG 4.36Å; Y266-F590 AromaticContact CD2-CZ 3.84Å; Y266-F590 HydrophobicContact CD2-CZ 3.84Å; Y266-F590 HydrophobicContact CE2-CD1 4.41Å; Y266-F590 AromaticContact CE2-CE1 3.9Å; Y266-F590 HydrophobicContact CE2-CE1 3.9Å; Y266-F590 AromaticContact CG-CD1 3.92Å; Y266-F590 HydrophobicContact CG-CD1 3.92Å; Y266-F590 HydrophobicContact CG-CD2 4.48Å; Y266-F590 AromaticContact CG-CE1 3.4Å; Y266-F590 HydrophobicContact CG-CE1 3.4Å; Y266-F590 HydrophobicContact CG-CE2 4.02Å; Y266-F590 HydrophobicContact CG-CG 4.43Å; Y266-F590 AromaticContact CG-CZ 3.46Å; Y266-F590 HydrophobicContact CG-CZ 3.46Å; Y266-F590 VanDerWaalsContact CG-CZ 3.46Å; L587-F590 WeakPolarHBondContact O-CA 3.34Å; L587-F590 WeakPolarHBondContact O-CB 3.47Å; L587-F590 PolarHBondContact O-N 3.43Å; H588-F590 VanDerWaalsContact C-N 3.27Å; H588-F590 PolarHBondContact O-N 2.73Å; F590-E592 VanDerWaalsContact C-N 3.35Å; F590-E592 PolarHBondContact O-N 3.01Å; F590-V593 CarbonylContact O-C 3.51Å; F590-V593 WeakPolarHBondContact O-CB 3.44Å; F590-V593 PolarHBondContact O-N 3.01Å; F590-E594 HydrophobicContact CD1-CB 4.5Å; F590-E594 HydrophobicContact CE1-CB 4.14Å; F590-E594 WeakPolarHBondContact CE1-OE2 3.32Å; F590-E594 PolarHBondContact O-N 2.95Å
591F78.9Confident75.9Confident4 Ų445 Ų452%0.01822%0.217CC..Hα-helixtrans-64.1-35.6-177.9-75.8-65.8000113.2Y266 V271 L577 L581 L587 H588 V593 E594 D595Y266-F591 HydrophobicContact CD2-CZ 4.27Å; Y266-F591 HydrophobicContact CE2-CE1 4.27Å; Y266-F591 AromaticContact CE2-CZ 3.9Å; Y266-F591 HydrophobicContact CE2-CZ 3.9Å; V271-F591 HydrophobicContact CG2-CE2 4.19Å; V271-F591 HydrophobicContact CG2-CZ 3.92Å; L577-F591 HydrophobicContact CB-CD1 3.9Å; L577-F591 HydrophobicContact CB-CE1 3.43Å; L577-F591 VanDerWaalsContact CB-CE1 3.43Å; L577-F591 HydrophobicContact CB-CE2 4.23Å; L577-F591 HydrophobicContact CB-CZ 3.62Å; L577-F591 HydrophobicContact CD2-CE1 3.74Å; L577-F591 HydrophobicContact CD2-CZ 3.48Å; L577-F591 VanDerWaalsContact CD2-CZ 3.48Å; L577-F591 HydrophobicContact CG-CE1 4.2Å; L577-F591 HydrophobicContact CG-CZ 4.2Å; L581-F591 HydrophobicContact CD1-CD2 3.72Å; L581-F591 HydrophobicContact CD1-CE2 3.74Å; L587-F591 HydrophobicContact CB-CD2 4.13Å; L587-F591 HydrophobicContact CB-CE2 4.03Å; L587-F591 HydrophobicContact CD1-CE2 4.37Å; L587-F591 VanDerWaalsContact O-CD2 3.26Å; L587-F591 WeakPolarHBondContact O-CD2 3.19Å; L587-F591 PolarHBondContact O-N 3.43Å; H588-F591 PolarHBondContact O-N 2.87Å; F591-V593 PolarHBondContact O-N 3.09Å; F591-E594 WeakPolarHBondContact CD1-OE2 3.3Å; F591-E594 WeakPolarHBondContact CE1-OE2 3.43Å; F591-E594 PolarHBondContact O-N 3.32Å; F591-D595 VanDerWaalsContact O-CB 3.27Å; F591-D595 WeakPolarHBondContact O-CB 3.37Å; F591-D595 VanDerWaalsContact O-CG 3.3Å; F591-D595 PolarHBondContact O-N 3.27Å
592E74.5Confident75.5Confident121 Ų12145.3 Ų45.357%0.56522%0.219SC*.Hα-helixtrans-56.3-39171.4-77.7171.6-179.300112H588 F590 E596H588-E592 WeakPolarHBondContact O-CB 3.49Å; H588-E592 VanDerWaalsContact O-CG 3.29Å; H588-E592 WeakPolarHBondContact O-CG 3.19Å; H588-E592 PolarHBondContact O-N 3.41Å; F590-E592 VanDerWaalsContact C-N 3.35Å; F590-E592 PolarHBondContact O-N 3.01Å; E592-E596 VanDerWaalsContact O-CB 3.32Å; E592-E596 WeakPolarHBondContact O-CB 3.29Å; E592-E596 PolarHBondContact O-N 3.38Å; E592-E596 VanDerWaalsContact O-N 3.13Å
593V71.4Confident75.3Confident3 Ų346.5 Ų46.52%0.01823%0.229CC..Hα-helixtrans-82.2-37.4-177.4-178.10000110.3L114 K116 R589 F590 F591 E596 Y597L114-V593 HydrophobicContact CD2-CB 4Å; L114-V593 HydrophobicContact CD2-CG1 3.42Å; L114-V593 VanDerWaalsContact CD2-CG1 3.42Å; L114-V593 HydrophobicContact CG-CG1 4.27Å; K116-V593 HydrophobicContact CD-CB 4.46Å; K116-V593 HydrophobicContact CD-CG1 4.16Å; K116-V593 HydrophobicContact CD-CG2 3.38Å; R589-V593 WeakPolarHBondContact O-CG2 3.17Å; F590-V593 CarbonylContact O-C 3.51Å; F590-V593 WeakPolarHBondContact O-CB 3.44Å; F590-V593 PolarHBondContact O-N 3.01Å; F591-V593 PolarHBondContact O-N 3.09Å; V593-E596 PolarHBondContact O-N 3.07Å; V593-Y597 HydrophobicContact CB-CD2 4.21Å; V593-Y597 HydrophobicContact CG1-CD2 3.45Å; V593-Y597 VanDerWaalsContact CG1-CD2 3.45Å; V593-Y597 HydrophobicContact CG1-CE2 3.94Å; V593-Y597 WeakPolarHBondContact O-CB 3.49Å; V593-Y597 VanDerWaalsContact O-CD2 3.22Å; V593-Y597 WeakPolarHBondContact O-CD2 3.4Å; V593-Y597 PolarHBondContact O-N 3.43Å
594E72.6Confident75.3Confident15 Ų1543.6 Ų43.67%0.0721%0.213CC..Iπ-helixtrans-60.5-47.1172.1179.2173.5-146.600110.9F590 F591 E596 I598 R599 H735F590-E594 HydrophobicContact CD1-CB 4.5Å; F590-E594 HydrophobicContact CE1-CB 4.14Å; F590-E594 WeakPolarHBondContact CE1-OE2 3.32Å; F590-E594 PolarHBondContact O-N 2.95Å; F591-E594 WeakPolarHBondContact CD1-OE2 3.3Å; F591-E594 WeakPolarHBondContact CE1-OE2 3.43Å; F591-E594 PolarHBondContact O-N 3.32Å; E594-E596 VanDerWaalsContact C-N 3.34Å; E594-E596 PolarHBondContact O-N 3.01Å; E594-I598 HydrophobicContact CB-CD1 4.03Å; E594-I598 HydrophobicContact CG-CB 3.94Å; E594-I598 HydrophobicContact CG-CD1 3.82Å; E594-I598 HydrophobicContact CG-CG1 4.33Å; E594-I598 HydrophobicContact CG-CG2 4.3Å; E594-I598 WeakPolarHBondContact O-CA 3.45Å; E594-I598 VanDerWaalsContact O-CB 3.31Å; E594-I598 WeakPolarHBondContact O-CB 3.39Å; E594-I598 PolarHBondContact O-N 3.29Å; E594-R599 PolarHBondContact O-N 3.14Å; E594-H735 IonicContact OE1-CE1 2.79Å; E594-H735 PolarHBondContact OE1-CE1 3.1Å; E594-H735 IonicContact OE1-ND1 3.33Å; E594-H735 IonicContact OE1-NE2 3.6Å
595D68.7Low75.7Confident44 Ų4436.1 Ų36.124%0.23518%0.18CC..Iπ-helixtrans-64.5-38.5179.1-75.6-10.9000111.9F591 R599F591-D595 VanDerWaalsContact O-CB 3.27Å; F591-D595 WeakPolarHBondContact O-CB 3.37Å; F591-D595 VanDerWaalsContact O-CG 3.3Å; F591-D595 PolarHBondContact O-N 3.27Å; D595-R599 IonicContact OD1-CZ 3.66Å; D595-R599 IonicContact OD1-NE 3.09Å; D595-R599 PolarHBondContact OD1-NE 2.99Å; D595-R599 IonicContact OD1-NH2 3.69Å; D595-R599 PolarHBondContact OD1-NH2 3.32Å; D595-R599 IonicContact OD2-NH2 3.66Å
596E65.5Low76.2Confident79 Ų7935.8 Ų35.837%0.36918%0.178SC..Iπ-helixtrans-75.3-42.7179.2-168.618016400112.8H121 E592 V593 E594H121-E596 IonicContact CE1-OE1 2.76Å; H121-E596 PolarHBondContact CE1-OE1 3.09Å; H121-E596 IonicContact ND1-OE1 3.66Å; H121-E596 IonicContact NE2-OE1 3.59Å; E592-E596 VanDerWaalsContact O-CB 3.32Å; E592-E596 WeakPolarHBondContact O-CB 3.29Å; E592-E596 PolarHBondContact O-N 3.38Å; E592-E596 VanDerWaalsContact O-N 3.13Å; V593-E596 PolarHBondContact O-N 3.07Å; E594-E596 VanDerWaalsContact C-N 3.34Å; E594-E596 PolarHBondContact O-N 3.01Å
597Y62.9Low77Confident18 Ų1832.5 Ų32.57%0.07116%0.156CC..Iπ-helixtrans-112-41.3-166.5-58.9-67.8000114.1H121 E223 V593 S600H121-Y597 AromaticContact ND1-CE1 3.98Å; E223-Y597 HydrophobicContact CB-CE1 4.2Å; E223-Y597 WeakPolarHBondContact OE2-CE1 3.44Å; V593-Y597 HydrophobicContact CB-CD2 4.21Å; V593-Y597 HydrophobicContact CG1-CD2 3.45Å; V593-Y597 VanDerWaalsContact CG1-CD2 3.45Å; V593-Y597 HydrophobicContact CG1-CE2 3.94Å; V593-Y597 WeakPolarHBondContact O-CB 3.49Å; V593-Y597 VanDerWaalsContact O-CD2 3.22Å; V593-Y597 WeakPolarHBondContact O-CD2 3.4Å; V593-Y597 PolarHBondContact O-N 3.43Å; Y597-S600 PolarHBondContact O-N 2.91Å; Y597-S600 PolarHBondContact O-OG 3.38Å
598I63.4Low77.6Confident59 Ų5932.5 Ų32.530%0.30316%0.156SC..Iπ-helixtrans-73.5-37.7-177.6-65.9175.2000110E594 S600 S601E594-I598 HydrophobicContact CB-CD1 4.03Å; E594-I598 HydrophobicContact CG-CB 3.94Å; E594-I598 HydrophobicContact CG-CD1 3.82Å; E594-I598 HydrophobicContact CG-CG1 4.33Å; E594-I598 HydrophobicContact CG-CG2 4.3Å; E594-I598 WeakPolarHBondContact O-CA 3.45Å; E594-I598 VanDerWaalsContact O-CB 3.31Å; E594-I598 WeakPolarHBondContact O-CB 3.39Å; E594-I598 PolarHBondContact O-N 3.29Å; I598-S600 PolarHBondContact O-N 3.03Å; I598-S601 CarbonylContact O-C 3.57Å; I598-S601 PolarHBondContact O-N 2.82Å; I598-S601 VanDerWaalsContact O-N 3.14Å
599R67.5Low78.2Confident26 Ų2632 Ų3210%0.09816%0.161CC..THydrogen-bonded Turntrans-63.7-26.5174.7-64.4-174.4-172.1-153.6-0.7113.5E594 D595 S601 T703E594-R599 PolarHBondContact O-N 3.14Å; D595-R599 IonicContact OD1-CZ 3.66Å; D595-R599 IonicContact OD1-NE 3.09Å; D595-R599 PolarHBondContact OD1-NE 2.99Å; D595-R599 IonicContact OD1-NH2 3.69Å; D595-R599 PolarHBondContact OD1-NH2 3.32Å; D595-R599 IonicContact OD2-NH2 3.66Å; R599-S601 PolarHBondContact O-N 2.97Å; R599-T703 PolarHBondContact O-OG1 2.95Å
600S69.2Low79.1Confident21 Ų2128.4 Ų28.415%0.14715%0.151CC..THydrogen-bonded Turntrans-70.4-18.9177.879.50000113.4Y597 I598 S702 T703Y597-S600 PolarHBondContact O-N 2.91Å; Y597-S600 PolarHBondContact O-OG 3.38Å; I598-S600 PolarHBondContact O-N 3.03Å; S600-S702 CarbonylContact O-C 3.55Å; S600-T703 WeakPolarHBondContact CA-O 3.49Å; S600-T703 PolarHBondContact O-N 3.04Å
601S72.7Confident79.7Confident20 Ų2028.7 Ų28.714%0.1415%0.153CC..EExtended strand (participates in β ladder)trans-140.5100.8-167.9-61.60000109.4I598 R599 Y700I598-S601 CarbonylContact O-C 3.57Å; I598-S601 PolarHBondContact O-N 2.82Å; I598-S601 VanDerWaalsContact O-N 3.14Å; R599-S601 PolarHBondContact O-N 2.97Å; S601-Y700 WeakPolarHBondContact CB-OH 3.4Å; S601-Y700 PolarHBondContact OG-OH 3.29Å
602M77.7Confident80.5Confident7 Ų728.5 Ų28.53%0.03415%0.152CC..EExtended strand (participates in β ladder)trans-111.5121.7-173-171.2167.353.500111.5I604 F701 V710 L713 M714 Q733M602-I604 HydrophobicContact CE-CD1 3.78Å; M602-I604 HydrophobicContact CE-CG1 4.17Å; M602-I604 HydrophobicContact CG-CG1 3.94Å; M602-I604 HydrophobicContact SD-CD1 4.37Å; M602-I604 HydrophobicContact SD-CG1 4.26Å; M602-F701 PolarHBondContact N-O 3.44Å; M602-F701 PolarHBondContact O-N 3.28Å; M602-V710 HydrophobicContact CE-CG1 4.34Å; M602-V710 HydrophobicContact SD-CG1 4.3Å; M602-L713 HydrophobicContact CE-CD2 3.32Å; M602-L713 HydrophobicContact CE-CG 3.83Å; M602-M714 HydrophobicContact CE-CG 3.96Å; M602-M714 HydrophobicContact CE-SD 3.79Å; M602-M714 HydrophobicContact SD-CG 4.08Å; M602-M714 HydrophobicContact SD-SD 3.8Å; M602-Q733 HydrophobicContact CG-CG 3.99Å; M602-Q733 HydrophobicContact SD-CG 3.9Å
603A82.9Confident81.1Confident27 Ų2726 Ų2622%0.22315%0.153CC..EExtended strand (participates in β ladder)trans-97117.7169.100000109F203F203-A603 HydrophobicContact CE1-CB 3.95Å; F203-A603 HydrophobicContact CZ-CB 3.54Å
604I88.6Confident81.9Confident0 Ų029.6 Ų29.60%017%0.171CC..EExtended strand (participates in β ladder)trans-105.6129.8178.2-60.6-172.8000108.7M602 V606 L698 I699 F701 M714 V717 I731M602-I604 HydrophobicContact CE-CD1 3.78Å; M602-I604 HydrophobicContact CE-CG1 4.17Å; M602-I604 HydrophobicContact CG-CG1 3.94Å; M602-I604 HydrophobicContact SD-CD1 4.37Å; M602-I604 HydrophobicContact SD-CG1 4.26Å; I604-V606 HydrophobicContact CG2-CG2 4.41Å; I604-L698 CarbonylContact O-C 3.49Å; I604-L698 WeakPolarHBondContact O-CA 3.37Å; I604-I699 PolarHBondContact N-O 3.29Å; I604-I699 PolarHBondContact O-N 3.46Å; I604-F701 HydrophobicContact CB-CE2 4.37Å; I604-F701 HydrophobicContact CD1-CD2 3.76Å; I604-F701 HydrophobicContact CD1-CE2 3.64Å; I604-F701 HydrophobicContact CG1-CD2 4.03Å; I604-F701 HydrophobicContact CG1-CE2 4.12Å; I604-M714 HydrophobicContact CD1-SD 3.59Å; I604-M714 VanDerWaalsContact CD1-SD 3.59Å; I604-M714 HydrophobicContact CG1-SD 4.32Å; I604-V717 HydrophobicContact CD1-CB 4.35Å; I604-V717 HydrophobicContact CD1-CG1 3.94Å; I604-V717 HydrophobicContact CD1-CG2 3.96Å; I604-V717 HydrophobicContact CG2-CG1 4.35Å; I604-I731 HydrophobicContact CG2-CG2 3.41Å; I604-I731 VanDerWaalsContact CG2-CG2 3.41Å
605S91.1Very high82.5Confident11 Ų1137.1 Ų37.18%0.07721%0.207CC..EExtended strand (participates in β ladder)trans-87.1123.5169.9-173.30000109.9H607 F696 F732S605-H607 PolarHBondContact OG-CD2 3.42Å; S605-H607 VanDerWaalsContact OG-CD2 3.25Å; S605-H607 PolarHBondContact OG-NE2 2.97Å; S605-F696 WeakPolarHBondContact OG-CD2 3.45Å; S605-F732 PolarHBondContact N-O 2.97Å; S605-F732 PolarHBondContact O-N 3.39Å
606V94.5Very high83.5Confident0 Ų041.3 Ų41.30%023%0.225CC..EExtended strand (participates in β ladder)trans-105102.4176.5-175.80000108I604 F628 F696 F697 I699 V729 I731I604-V606 HydrophobicContact CG2-CG2 4.41Å; V606-F628 HydrophobicContact CG1-CE2 4.44Å; V606-F696 CarbonylContact O-C 3.23Å; V606-F696 WeakPolarHBondContact O-CA 3.17Å; V606-F696 WeakPolarHBondContact O-CB 3.5Å; V606-F697 HydrophobicContact CB-CD1 3.92Å; V606-F697 HydrophobicContact CB-CD2 4.47Å; V606-F697 HydrophobicContact CB-CE1 3.58Å; V606-F697 HydrophobicContact CB-CE2 4.2Å; V606-F697 HydrophobicContact CB-CG 4.36Å; V606-F697 HydrophobicContact CB-CZ 3.72Å; V606-F697 HydrophobicContact CG1-CD1 4.18Å; V606-F697 HydrophobicContact CG1-CE1 3.41Å; V606-F697 VanDerWaalsContact CG1-CE1 3.41Å; V606-F697 HydrophobicContact CG1-CZ 3.64Å; V606-F697 HydrophobicContact CG2-CE1 4.46Å; V606-F697 HydrophobicContact CG2-CE2 4.28Å; V606-F697 HydrophobicContact CG2-CZ 4.11Å; V606-F697 PolarHBondContact N-O 3.17Å; V606-F697 PolarHBondContact O-N 2.78Å; V606-I699 HydrophobicContact CG2-CD1 3.72Å; V606-I699 HydrophobicContact CG2-CG1 3.91Å; V606-V729 HydrophobicContact CG1-CG1 3.46Å; V606-V729 VanDerWaalsContact CG1-CG1 3.46Å; V606-I731 HydrophobicContact CB-CD1 4.32Å; V606-I731 HydrophobicContact CG1-CD1 4.04Å; V606-I731 HydrophobicContact CG2-CD1 3.79Å
607H94.7Very high84.8Confident4 Ų439.2 Ų39.22%0.01922%0.215CC..EExtended strand (participates in β ladder)trans-83.6128.9178.5-68.3-107.5000109.8V74 D75 S605 F696 V729 T730V74-H607 HydrophobicContact CG1-CB 3.93Å; D75-H607 IonicContact OD1-CE1 3.02Å; D75-H607 PolarHBondContact OD1-CE1 3.33Å; D75-H607 IonicContact OD1-NE2 3.1Å; D75-H607 PolarHBondContact OD1-NE2 2.94Å; S605-H607 PolarHBondContact OG-CD2 3.42Å; S605-H607 VanDerWaalsContact OG-CD2 3.25Å; S605-H607 PolarHBondContact OG-NE2 2.97Å; H607-F696 HydrophobicContact CB-CB 4.45Å; H607-V729 WeakPolarHBondContact O-CA 3.45Å; H607-T730 PolarHBondContact N-O 3.04Å; H607-T730 PolarHBondContact O-N 3.02Å
608V96.4Very high86.2Confident2 Ų239.4 Ų39.41%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-112.1103.1-178.9-179.40000107.6F621 R694 F695 F697 F727V608-F621 HydrophobicContact CG1-CE2 4.28Å; V608-F621 HydrophobicContact CG2-CE2 3.9Å; V608-F621 HydrophobicContact CG2-CZ 4.46Å; V608-R694 WeakPolarHBondContact O-CA 3.21Å; V608-R694 WeakPolarHBondContact O-CB 3.4Å; V608-F695 HydrophobicContact CB-CD1 4.32Å; V608-F695 HydrophobicContact CB-CD2 4.35Å; V608-F695 HydrophobicContact CB-CE1 4.05Å; V608-F695 HydrophobicContact CB-CE2 4.09Å; V608-F695 HydrophobicContact CB-CG 4.46Å; V608-F695 HydrophobicContact CB-CZ 3.94Å; V608-F695 HydrophobicContact CG1-CD1 4.48Å; V608-F695 HydrophobicContact CG1-CE1 3.89Å; V608-F695 HydrophobicContact CG1-CZ 3.97Å; V608-F695 HydrophobicContact CG2-CD2 4.31Å; V608-F695 HydrophobicContact CG2-CE1 4.49Å; V608-F695 HydrophobicContact CG2-CE2 3.77Å; V608-F695 HydrophobicContact CG2-CZ 3.88Å; V608-F695 PolarHBondContact N-O 3.13Å; V608-F695 PolarHBondContact O-N 3.19Å; V608-F697 HydrophobicContact CG2-CD1 4.16Å; V608-F697 HydrophobicContact CG2-CE1 4.01Å; V608-F727 HydrophobicContact CG1-CB 4.26Å
609G93.5Very high87.6Confident29 Ų2944.3 Ų44.330%0.29924%0.236SC..SBendtrans-78.7-22.2-17800000114.1F727 N728G609-F727 PolarHBondContact N-O 2.85Å; G609-N728 PolarHBondContact N-O 2.86Å
610K93.8Very high88.8Confident99 Ų9946.1 Ų46.143%0.4325%0.246SC..SBendtrans-127.997.3172.1-176.6179.2165.4-144.20109.5E617 N726 F727K610-E617 IonicContact NZ-OE1 3.72Å; K610-E617 PolarHBondContact NZ-OE1 3.34Å; K610-E617 VanDerWaalsContact NZ-OE1 3.1Å; K610-N726 WeakPolarHBondContact CD-O 3.21Å; K610-F727 PolarHBondContact N-O 3.29Å; K610-F727 WeakPolarHBondContact O-CD1 3.49Å
611P94.2Very high90.1Very high14 Ų1445.1 Ų45.19%0.09124%0.239CC..  trans-61151175.5-26.737.8000112.5A613 V692 D693 F695P611-A613 PolarHBondContact O-N 3.12Å; P611-V692 HydrophobicContact CB-CB 4.33Å; P611-V692 HydrophobicContact CB-CG1 4.18Å; P611-V692 HydrophobicContact CG-CB 4.24Å; P611-V692 HydrophobicContact CG-CG1 3.81Å; P611-V692 WeakPolarHBondContact CG-O 3.25Å; P611-D693 WeakPolarHBondContact CD-O 3.48Å; P611-F695 HydrophobicContact CB-CD1 4.07Å; P611-F695 HydrophobicContact CB-CE1 3.84Å; P611-F695 HydrophobicContact CG-CD1 3.9Å; P611-F695 HydrophobicContact CG-CE1 4.12Å
612P94Very high91.1Very high0 Ų046.3 Ų46.30%024%0.242CC..  trans-64.2130.7177.526-32.6000110.8E617 F621 L644 L660 Y661 F727P612-E617 HydrophobicContact CB-CB 3.92Å; P612-F621 HydrophobicContact CB-CB 4.27Å; P612-F621 HydrophobicContact CG-CB 4.18Å; P612-F621 HydrophobicContact CG-CD1 4.45Å; P612-F621 HydrophobicContact CG-CG 4.13Å; P612-L644 HydrophobicContact CG-CD2 4.06Å; P612-L660 WeakPolarHBondContact O-CD2 3.45Å; P612-Y661 VanDerWaalsContact O-CE2 3.31Å; P612-Y661 WeakPolarHBondContact O-CE2 3.38Å; P612-Y661 VanDerWaalsContact O-CZ 3.3Å; P612-Y661 PolarHBondContact O-OH 3.49Å; P612-F727 HydrophobicContact CB-CE1 4.18Å
613A87.9Confident91.9Very high69 Ų6948 Ų4857%0.5726%0.257SS*.  trans-100.8-20.9-17500000113.9P611 E617P611-A613 PolarHBondContact O-N 3.12Å; A613-E617 PolarHBondContact N-OE2 2.67Å
614N87.4Confident92.4Very high77 Ų7746.8 Ų46.841%0.41225%0.246SC..SBendtrans-139.4175.8-177.164.926.1000111.5E616 E617 M618N614-E616 PolarHBondContact O-N 2.8Å; N614-E616 PolarHBondContact OD1-N 3.35Å; N614-E617 PolarHBondContact O-N 3.39Å; N614-E617 VanDerWaalsContact OD1-CB 3.24Å; N614-E617 WeakPolarHBondContact OD1-CB 3.38Å; N614-E617 WeakPolarHBondContact OD1-CG 3.24Å; N614-E617 PolarHBondContact OD1-N 3.09Å; N614-M618 WeakPolarHBondContact O-CB 3.25Å; N614-M618 PolarHBondContact O-N 3.31Å
615E86.5Confident92.7Very high173 Ų17346.8 Ų46.881%0.80825%0.246SC*.Hα-helixtrans-65.2-35.4-176.5-168.6174.9-175.600113.1M618 F619E615-M618 WeakPolarHBondContact O-CB 3.3Å; E615-M618 PolarHBondContact O-N 2.93Å; E615-F619 PolarHBondContact O-N 2.8Å
616E89.7Confident92.9Very high133 Ų13347.7 Ų47.762%0.62126%0.257SS*.Hα-helixtrans-67.6-48.6176.9-172.8-176.8173.800111.8N614 M618 F619 Q620N614-E616 PolarHBondContact O-N 2.8Å; N614-E616 PolarHBondContact OD1-N 3.35Å; E616-M618 PolarHBondContact O-N 3.45Å; E616-F619 PolarHBondContact O-N 2.88Å; E616-Q620 WeakPolarHBondContact O-CG 3.29Å; E616-Q620 PolarHBondContact O-N 3.4Å
617E92.6Very high92.8Very high35 Ų3550.9 Ų50.916%0.16427%0.272CS..Hα-helixtrans-61.1-33.4173.4-74.4-172.2168.500110.5K610 P612 A613 N614 Q620 F621 F727K610-E617 IonicContact NZ-OE1 3.72Å; K610-E617 PolarHBondContact NZ-OE1 3.34Å; K610-E617 VanDerWaalsContact NZ-OE1 3.1Å; P612-E617 HydrophobicContact CB-CB 3.92Å; A613-E617 PolarHBondContact N-OE2 2.67Å; N614-E617 PolarHBondContact O-N 3.39Å; N614-E617 VanDerWaalsContact OD1-CB 3.24Å; N614-E617 WeakPolarHBondContact OD1-CB 3.38Å; N614-E617 WeakPolarHBondContact OD1-CG 3.24Å; N614-E617 PolarHBondContact OD1-N 3.09Å; E617-Q620 PolarHBondContact O-N 3.44Å; E617-F621 VanDerWaalsContact O-CB 3.25Å; E617-F621 WeakPolarHBondContact O-CB 2.98Å; E617-F621 PolarHBondContact O-N 2.9Å; E617-F727 HydrophobicContact CB-CE1 4.17Å; E617-F727 HydrophobicContact CB-CZ 4.48Å; E617-F727 VanDerWaalsContact O-CZ 3.22Å; E617-F727 WeakPolarHBondContact O-CZ 3.37Å
618M92.2Very high92.8Very high21 Ų2150.7 Ų50.710%0.10327%0.271CS..Hα-helixtrans-64.9-43.7174.5-174.1160.2-64.200112.5N614 E615 E616 F621 F622 L648 L660N614-M618 WeakPolarHBondContact O-CB 3.25Å; N614-M618 PolarHBondContact O-N 3.31Å; E615-M618 WeakPolarHBondContact O-CB 3.3Å; E615-M618 PolarHBondContact O-N 2.93Å; E616-M618 PolarHBondContact O-N 3.45Å; M618-F621 PolarHBondContact O-N 3.45Å; M618-F622 HydrophobicContact CG-CD2 3.86Å; M618-F622 HydrophobicContact CG-CE2 3.75Å; M618-F622 VanDerWaalsContact O-CD2 3.29Å; M618-F622 WeakPolarHBondContact O-CD2 3.44Å; M618-F622 PolarHBondContact O-N 2.72Å; M618-F622 HydrophobicContact SD-CE2 4.34Å; M618-L648 HydrophobicContact CE-CD1 4.45Å; M618-L648 HydrophobicContact CE-CD2 4.11Å; M618-L648 HydrophobicContact CG-CD1 4.48Å; M618-L648 HydrophobicContact SD-CD1 3.53Å; M618-L648 VanDerWaalsContact SD-CD1 3.53Å; M618-L648 HydrophobicContact SD-CD2 3.64Å; M618-L648 HydrophobicContact SD-CG 4.21Å; M618-L660 HydrophobicContact CE-CD1 3.24Å; M618-L660 HydrophobicContact CE-CD2 3.41Å; M618-L660 VanDerWaalsContact CE-CD2 3.41Å; M618-L660 HydrophobicContact CE-CG 3.83Å; M618-L660 HydrophobicContact SD-CD1 4.18Å
619F92.6Very high92.6Very high163 Ų16351.2 Ų51.272%0.71527%0.274SS*.Hα-helixtrans-61.4-46.1174.7-178.4-95.2000111.3E615 E616 F621 F622 A623E615-F619 PolarHBondContact O-N 2.8Å; E616-F619 PolarHBondContact O-N 2.88Å; F619-F621 VanDerWaalsContact C-N 3.32Å; F619-F621 PolarHBondContact O-N 2.87Å; F619-F622 PolarHBondContact O-N 2.72Å; F619-A623 WeakPolarHBondContact O-CB 3.36Å; F619-A623 PolarHBondContact O-N 2.75Å
620Q93.1Very high92.6Very high63 Ų6354.2 Ų54.229%0.29429%0.29SS..Hα-helixtrans-61.2-40.5175.9-68.4-179.711.700112.1E616 E617 A623 M624 N726 F727E616-Q620 WeakPolarHBondContact O-CG 3.29Å; E616-Q620 PolarHBondContact O-N 3.4Å; E617-Q620 PolarHBondContact O-N 3.44Å; Q620-A623 WeakPolarHBondContact O-CB 3.45Å; Q620-A623 PolarHBondContact O-N 3.3Å; Q620-M624 PolarHBondContact O-N 3.33Å; Q620-N726 PolarHBondContact OE1-ND2 2.97Å; Q620-F727 HydrophobicContact CB-CE2 4.12Å; Q620-F727 HydrophobicContact CB-CZ 3.89Å
621F95.1Very high92.6Very high0 Ų051 Ų510%028%0.277CS..Hα-helixtrans-62.6-46.8177.2178.6-97.4000111.5V608 P612 E617 M618 F619 A623 M624 V625 L642 L644 F695 F697 F727V608-F621 HydrophobicContact CG1-CE2 4.28Å; V608-F621 HydrophobicContact CG2-CE2 3.9Å; V608-F621 HydrophobicContact CG2-CZ 4.46Å; P612-F621 HydrophobicContact CB-CB 4.27Å; P612-F621 HydrophobicContact CG-CB 4.18Å; P612-F621 HydrophobicContact CG-CD1 4.45Å; P612-F621 HydrophobicContact CG-CG 4.13Å; E617-F621 VanDerWaalsContact O-CB 3.25Å; E617-F621 WeakPolarHBondContact O-CB 2.98Å; E617-F621 PolarHBondContact O-N 2.9Å; M618-F621 PolarHBondContact O-N 3.45Å; F619-F621 VanDerWaalsContact C-N 3.32Å; F619-F621 PolarHBondContact O-N 2.87Å; F621-A623 VanDerWaalsContact C-N 3.31Å; F621-A623 PolarHBondContact O-N 3.29Å; F621-M624 HydrophobicContact CD2-CE 3.66Å; F621-M624 HydrophobicContact CE2-CE 3.48Å; F621-M624 VanDerWaalsContact CE2-CE 3.48Å; F621-M624 HydrophobicContact CZ-CE 4.34Å; F621-M624 WeakPolarHBondContact O-CB 3.28Å; F621-M624 PolarHBondContact O-N 3.41Å; F621-V625 HydrophobicContact CD1-CG2 4.16Å; F621-V625 HydrophobicContact CE1-CG2 3.68Å; F621-V625 HydrophobicContact CE2-CG2 4.4Å; F621-V625 HydrophobicContact CZ-CG2 3.79Å; F621-V625 WeakPolarHBondContact O-CG2 3.48Å; F621-V625 PolarHBondContact O-N 3.22Å; F621-L642 HydrophobicContact CE1-CD1 4.07Å; F621-L642 HydrophobicContact CE1-CD2 3.86Å; F621-L642 HydrophobicContact CZ-CD1 4.11Å; F621-L642 HydrophobicContact CZ-CD2 4.46Å; F621-L644 HydrophobicContact CD1-CD2 3.79Å; F621-L644 HydrophobicContact CE1-CD2 3.72Å; F621-F695 HydrophobicContact CE1-CZ 4.23Å; F621-F695 HydrophobicContact CE2-CE2 4.37Å; F621-F695 AromaticContact CE2-CZ 3.78Å; F621-F695 HydrophobicContact CE2-CZ 3.78Å; F621-F695 AromaticContact CZ-CE2 3.85Å; F621-F695 HydrophobicContact CZ-CE2 3.85Å; F621-F695 AromaticContact CZ-CZ 3.49Å; F621-F695 HydrophobicContact CZ-CZ 3.49Å; F621-F695 VanDerWaalsContact CZ-CZ 3.49Å; F621-F697 HydrophobicContact CE2-CE1 4.46Å; F621-F697 HydrophobicContact CZ-CD1 4.44Å; F621-F697 HydrophobicContact CZ-CE1 4.12Å; F621-F727 HydrophobicContact CB-CE1 4.12Å; F621-F727 HydrophobicContact CB-CE2 4.06Å; F621-F727 HydrophobicContact CB-CZ 3.73Å; F621-F727 HydrophobicContact CD2-CD1 4.41Å; F621-F727 HydrophobicContact CD2-CD2 4.36Å; F621-F727 HydrophobicContact CD2-CE2 4.49Å; F621-F727 HydrophobicContact CD2-CG 4.34Å
622F95Very high92.2Very high46 Ų4657.5 Ų57.520%0.20230%0.304CS..Hα-helixtrans-68.7-29.1176.3-79.6-65.7000113.2M618 F619 M624 V625 G626 L642 L644 R645 L648M618-F622 HydrophobicContact CG-CD2 3.86Å; M618-F622 HydrophobicContact CG-CE2 3.75Å; M618-F622 VanDerWaalsContact O-CD2 3.29Å; M618-F622 WeakPolarHBondContact O-CD2 3.44Å; M618-F622 PolarHBondContact O-N 2.72Å; M618-F622 HydrophobicContact SD-CE2 4.34Å; F619-F622 PolarHBondContact O-N 2.72Å; F622-M624 VanDerWaalsContact C-N 3.34Å; F622-V625 PolarHBondContact O-N 2.9Å; F622-G626 PolarHBondContact O-N 3.18Å; F622-L642 HydrophobicContact CD1-CD2 4.38Å; F622-L642 HydrophobicContact CE1-CD2 3.7Å; F622-L642 HydrophobicContact CZ-CD2 4.47Å; F622-L644 HydrophobicContact CE2-CD2 4.3Å; F622-L644 HydrophobicContact CZ-CD2 4.16Å; F622-L644 HydrophobicContact CZ-CG 4.19Å; F622-R645 HydrophobicContact CE1-CG 3.6Å; F622-R645 HydrophobicContact CZ-CG 4.17Å; F622-L648 HydrophobicContact CE2-CD1 3.47Å; F622-L648 VanDerWaalsContact CE2-CD1 3.47Å; F622-L648 HydrophobicContact CZ-CD1 3.7Å
623A93.3Very high91.9Very high43 Ų4359.5 Ų59.536%0.35531%0.313SS..Hα-helixtrans-64.7-39.2171.600000111.7F619 Q620 F621 Q627F619-A623 WeakPolarHBondContact O-CB 3.36Å; F619-A623 PolarHBondContact O-N 2.75Å; Q620-A623 WeakPolarHBondContact O-CB 3.45Å; Q620-A623 PolarHBondContact O-N 3.3Å; F621-A623 VanDerWaalsContact C-N 3.31Å; F621-A623 PolarHBondContact O-N 3.29Å; A623-Q627 PolarHBondContact O-N 2.96Å; A623-Q627 VanDerWaalsContact O-N 3.1Å
624M94.1Very high91.8Very high0 Ų057.2 Ų57.20%029%0.293CS..Hα-helixtrans-63.1-49.9171.7175.5-172.48000111.7Q620 F621 F622 G626 Q627 F628 F724 F727 V729Q620-M624 PolarHBondContact O-N 3.33Å; F621-M624 HydrophobicContact CD2-CE 3.66Å; F621-M624 HydrophobicContact CE2-CE 3.48Å; F621-M624 VanDerWaalsContact CE2-CE 3.48Å; F621-M624 HydrophobicContact CZ-CE 4.34Å; F621-M624 WeakPolarHBondContact O-CB 3.28Å; F621-M624 PolarHBondContact O-N 3.41Å; F622-M624 VanDerWaalsContact C-N 3.34Å; M624-G626 VanDerWaalsContact C-N 3.26Å; M624-G626 PolarHBondContact O-N 3.14Å; M624-Q627 WeakPolarHBondContact O-CA 3.4Å; M624-Q627 WeakPolarHBondContact O-CB 3.44Å; M624-Q627 PolarHBondContact O-N 3.4Å; M624-F628 HydrophobicContact CE-CE2 4.5Å; M624-F628 HydrophobicContact CG-CD2 4.05Å; M624-F628 HydrophobicContact CG-CE2 3.7Å; M624-F628 WeakPolarHBondContact O-CD2 2.97Å; M624-F628 PolarHBondContact O-N 3.06Å; M624-F628 VanDerWaalsContact O-N 3.11Å; M624-F628 HydrophobicContact SD-CE2 4.2Å; M624-F724 HydrophobicContact CB-CD1 3.75Å; M624-F724 HydrophobicContact CB-CD2 3.89Å; M624-F724 HydrophobicContact CB-CE1 3.67Å; M624-F724 HydrophobicContact CB-CE2 3.81Å; M624-F724 HydrophobicContact CB-CG 3.84Å; M624-F724 HydrophobicContact CB-CZ 3.69Å; M624-F724 HydrophobicContact CG-CB 4.14Å; M624-F724 HydrophobicContact CG-CD1 4.1Å; M624-F724 HydrophobicContact CG-CD2 3.47Å; M624-F724 VanDerWaalsContact CG-CD2 3.47Å; M624-F724 HydrophobicContact CG-CE1 4.34Å; M624-F724 HydrophobicContact CG-CE2 3.75Å; M624-F724 HydrophobicContact CG-CG 3.64Å; M624-F724 HydrophobicContact CG-CZ 4.17Å; M624-F724 HydrophobicContact SD-CB 3.58Å; M624-F724 VanDerWaalsContact SD-CB 3.58Å; M624-F724 HydrophobicContact SD-CD1 4.36Å; M624-F724 HydrophobicContact SD-CD2 4.07Å; M624-F724 HydrophobicContact SD-CG 3.76Å; M624-F727 HydrophobicContact CE-CD2 4.49Å; M624-F727 HydrophobicContact SD-CD2 4.08Å; M624-V729 HydrophobicContact CE-CG2 4.1Å; M624-V729 HydrophobicContact SD-CG2 3.62Å
625V94.7Very high91.5Very high0 Ų057.8 Ų57.80%030%0.295CS..Hα-helixtrans-58-41.9178.1174.80000110.6F621 F622 Q627 F628 E629 L642 F697F621-V625 HydrophobicContact CD1-CG2 4.16Å; F621-V625 HydrophobicContact CE1-CG2 3.68Å; F621-V625 HydrophobicContact CE2-CG2 4.4Å; F621-V625 HydrophobicContact CZ-CG2 3.79Å; F621-V625 WeakPolarHBondContact O-CG2 3.48Å; F621-V625 PolarHBondContact O-N 3.22Å; F622-V625 PolarHBondContact O-N 2.9Å; V625-Q627 VanDerWaalsContact C-N 3.29Å; V625-Q627 PolarHBondContact O-N 3.31Å; V625-F628 PolarHBondContact O-N 3.13Å; V625-E629 HydrophobicContact CG1-CG 4.27Å; V625-E629 VanDerWaalsContact CG1-OE1 3.28Å; V625-E629 WeakPolarHBondContact CG1-OE1 3.24Å; V625-E629 WeakPolarHBondContact O-CB 3.26Å; V625-E629 WeakPolarHBondContact O-CG 2.93Å; V625-E629 PolarHBondContact O-N 2.98Å; V625-L642 HydrophobicContact CG1-CD2 4.07Å; V625-L642 HydrophobicContact CG2-CD2 3.96Å; V625-F697 HydrophobicContact CG1-CE2 4.49Å; V625-F697 HydrophobicContact CG2-CE1 4.46Å; V625-F697 HydrophobicContact CG2-CE2 4.3Å; V625-F697 HydrophobicContact CG2-CZ 3.9Å
626G94.7Very high91.4Very high30 Ų3050.5 Ų50.531%0.30927%0.267SS..Hα-helixtrans-62.7-31.5174.700000113.8F622 M624 S630F622-G626 PolarHBondContact O-N 3.18Å; M624-G626 VanDerWaalsContact C-N 3.26Å; M624-G626 PolarHBondContact O-N 3.14Å; G626-S630 WeakPolarHBondContact O-CB 3.46Å; G626-S630 PolarHBondContact O-N 3.21Å; G626-S630 VanDerWaalsContact O-N 3.1Å; G626-S630 PolarHBondContact O-OG 3.11Å
627Q93.8Very high91.1Very high67 Ų6748.3 Ų48.331%0.31326%0.264SS..Hα-helixtrans-68.7-42172.4-76-178.644.200111.5A623 M624 V625 S630 M631 L720A623-Q627 PolarHBondContact O-N 2.96Å; A623-Q627 VanDerWaalsContact O-N 3.1Å; M624-Q627 WeakPolarHBondContact O-CA 3.4Å; M624-Q627 WeakPolarHBondContact O-CB 3.44Å; M624-Q627 PolarHBondContact O-N 3.4Å; V625-Q627 VanDerWaalsContact C-N 3.29Å; V625-Q627 PolarHBondContact O-N 3.31Å; Q627-S630 WeakPolarHBondContact CA-OG 3.25Å; Q627-S630 PolarHBondContact O-N 3.36Å; Q627-S630 PolarHBondContact O-OG 3.38Å; Q627-S630 VanDerWaalsContact O-OG 3.06Å; Q627-M631 VanDerWaalsContact O-CG 3.3Å; Q627-M631 WeakPolarHBondContact O-CG 3.48Å; Q627-M631 PolarHBondContact O-N 2.86Å; Q627-L720 HydrophobicContact CB-CD1 3.94Å; Q627-L720 HydrophobicContact CB-CD2 3.89Å; Q627-L720 VanDerWaalsContact OE1-CD1 3.32Å
628F93.8Very high90.5Very high0 Ų054.1 Ų54.10%029%0.291CS..Hα-helixtrans-63.9-42.8173.8-74.4-72.6000112.4V606 M624 V625 S630 M631 I699 V717 L720 I731V606-F628 HydrophobicContact CG1-CE2 4.44Å; M624-F628 HydrophobicContact CE-CE2 4.5Å; M624-F628 HydrophobicContact CG-CD2 4.05Å; M624-F628 HydrophobicContact CG-CE2 3.7Å; M624-F628 WeakPolarHBondContact O-CD2 2.97Å; M624-F628 PolarHBondContact O-N 3.06Å; M624-F628 VanDerWaalsContact O-N 3.11Å; M624-F628 HydrophobicContact SD-CE2 4.2Å; V625-F628 PolarHBondContact O-N 3.13Å; F628-S630 PolarHBondContact O-N 3.07Å; F628-M631 HydrophobicContact CD1-SD 3.87Å; F628-M631 WeakPolarHBondContact O-CB 3.31Å; F628-M631 WeakPolarHBondContact O-CG 3.44Å; F628-M631 PolarHBondContact O-N 3.3Å; F628-I699 HydrophobicContact CB-CD1 3.29Å; F628-I699 HydrophobicContact CD1-CD1 3.98Å; F628-I699 HydrophobicContact CD2-CD1 4.09Å; F628-I699 HydrophobicContact CG-CD1 3.55Å; F628-V717 HydrophobicContact CD1-CG1 4.41Å; F628-V717 HydrophobicContact CE1-CG1 3.9Å; F628-L720 HydrophobicContact CB-CD2 4.35Å; F628-L720 HydrophobicContact CD1-CD2 3.49Å; F628-L720 VanDerWaalsContact CD1-CD2 3.49Å; F628-L720 HydrophobicContact CD1-CG 4.27Å; F628-L720 HydrophobicContact CD2-CD2 4.11Å; F628-L720 HydrophobicContact CE1-CB 4.07Å; F628-L720 HydrophobicContact CE1-CD2 3.67Å; F628-L720 HydrophobicContact CE1-CG 3.93Å; F628-L720 HydrophobicContact CE2-CD2 4.28Å; F628-L720 HydrophobicContact CE2-CG 4.33Å; F628-L720 HydrophobicContact CG-CD2 3.7Å; F628-L720 HydrophobicContact CZ-CB 4.34Å; F628-L720 HydrophobicContact CZ-CD2 4.07Å; F628-L720 HydrophobicContact CZ-CG 3.97Å; F628-I731 HydrophobicContact CE1-CD1 4.06Å; F628-I731 HydrophobicContact CZ-CD1 4.03Å
629E93.5Very high90Very high14 Ų1453.1 Ų53.17%0.06529%0.286CS..THydrogen-bonded Turntrans-70.8-10.5179-71.1171.3175.900114.1V625 S634 G636 S640 R645V625-E629 HydrophobicContact CG1-CG 4.27Å; V625-E629 VanDerWaalsContact CG1-OE1 3.28Å; V625-E629 WeakPolarHBondContact CG1-OE1 3.24Å; V625-E629 WeakPolarHBondContact O-CB 3.26Å; V625-E629 WeakPolarHBondContact O-CG 2.93Å; V625-E629 PolarHBondContact O-N 2.98Å; E629-S634 VanDerWaalsContact C-OG 3.26Å; E629-S634 PolarHBondContact O-OG 3.02Å; E629-G636 WeakPolarHBondContact O-CA 3.44Å; E629-S640 WeakPolarHBondContact OE1-CB 3.22Å; E629-S640 PolarHBondContact OE1-OG 3.28Å; E629-R645 IonicContact OE1-CZ 2.97Å; E629-R645 IonicContact OE1-NE 3.87Å; E629-R645 IonicContact OE1-NH2 3.74Å; E629-R645 PolarHBondContact OE1-NH2 2.86Å; E629-R645 IonicContact OE2-CZ 2.72Å; E629-R645 IonicContact OE2-NH2 2.75Å; E629-R645 PolarHBondContact OE2-NH2 3.12Å
630S93.6Very high89.8Confident92 Ų9245.9 Ų45.964%0.64326%0.256SS*.THydrogen-bonded Turntrans-105.30.8174.654.30000113G626 Q627 F628G626-S630 WeakPolarHBondContact O-CB 3.46Å; G626-S630 PolarHBondContact O-N 3.21Å; G626-S630 VanDerWaalsContact O-N 3.1Å; G626-S630 PolarHBondContact O-OG 3.11Å; Q627-S630 WeakPolarHBondContact CA-OG 3.25Å; Q627-S630 PolarHBondContact O-N 3.36Å; Q627-S630 PolarHBondContact O-OG 3.38Å; Q627-S630 VanDerWaalsContact O-OG 3.06Å; F628-S630 PolarHBondContact O-N 3.07Å
631M92.2Very high89.6Confident31 Ų3143.1 Ų43.115%0.15324%0.243CC..SBendtrans-64.4154.3175.6-68.6-174.475.600111.4Q627 F628 F633 S634 F701 L713 D716 V717 L720Q627-M631 VanDerWaalsContact O-CG 3.3Å; Q627-M631 WeakPolarHBondContact O-CG 3.48Å; Q627-M631 PolarHBondContact O-N 2.86Å; F628-M631 HydrophobicContact CD1-SD 3.87Å; F628-M631 WeakPolarHBondContact O-CB 3.31Å; F628-M631 WeakPolarHBondContact O-CG 3.44Å; F628-M631 PolarHBondContact O-N 3.3Å; M631-F633 PolarHBondContact O-N 3.39Å; M631-S634 WeakPolarHBondContact O-CB 3.32Å; M631-S634 PolarHBondContact O-N 3.3Å; M631-S634 VanDerWaalsContact O-N 3.14Å; M631-S634 PolarHBondContact O-OG 3.47Å; M631-F701 HydrophobicContact CB-CE1 3.98Å; M631-F701 HydrophobicContact SD-CE1 4.49Å; M631-F701 HydrophobicContact SD-CZ 4.35Å; M631-L713 HydrophobicContact CE-CD1 4.34Å; M631-D716 HydrophobicContact CE-CB 3.63Å; M631-V717 HydrophobicContact CE-CB 4.33Å; M631-V717 HydrophobicContact CE-CG2 3.58Å; M631-V717 HydrophobicContact SD-CG2 3.76Å; M631-L720 HydrophobicContact CG-CD2 4.23Å; M631-L720 HydrophobicContact SD-CD2 3.74Å
632K86.6Confident89.5Confident151 Ų15143.3 Ų43.366%0.65724%0.244SC*.THydrogen-bonded Turntrans-53.4140.5171.4-166.5-179.3178.2-173.90109.6S634K632-S634 PolarHBondContact O-N 3.14Å
633F86.6Confident89.3Confident42 Ų4241.1 Ų41.118%0.18424%0.235CC..THydrogen-bonded Turntrans73.3-4.4-177.7-45.6-67.2000116.4M631 F701 S702 T703 Q709 L713M631-F633 PolarHBondContact O-N 3.39Å; F633-F701 HydrophobicContact CB-CB 4.35Å; F633-F701 HydrophobicContact CB-CD1 4.29Å; F633-F701 WeakPolarHBondContact O-CA 3.3Å; F633-S702 WeakPolarHBondContact CB-O 3.27Å; F633-S702 WeakPolarHBondContact CD1-O 3.36Å; F633-S702 PolarHBondContact O-N 3Å; F633-T703 HydrophobicContact CB-CG2 4.39Å; F633-T703 HydrophobicContact CD2-CG2 4.45Å; F633-T703 HydrophobicContact CG-CG2 4.23Å; F633-Q709 HydrophobicContact CE2-CB 4.42Å; F633-Q709 HydrophobicContact CZ-CB 4.01Å; F633-Q709 HydrophobicContact CZ-CG 4.34Å; F633-L713 HydrophobicContact CD2-CB 4.34Å; F633-L713 HydrophobicContact CD2-CD1 4.39Å; F633-L713 HydrophobicContact CD2-CD2 4.22Å
634S86.8Confident89.3Confident21 Ų2139.1 Ų39.115%0.14722%0.218CC..BIsolated β-bridgetrans-80.3150.5167.773.50000110.7E629 M631 K632E629-S634 VanDerWaalsContact C-OG 3.26Å; E629-S634 PolarHBondContact O-OG 3.02Å; M631-S634 WeakPolarHBondContact O-CB 3.32Å; M631-S634 PolarHBondContact O-N 3.3Å; M631-S634 VanDerWaalsContact O-N 3.14Å; M631-S634 PolarHBondContact O-OG 3.47Å; K632-S634 PolarHBondContact O-N 3.14Å
635N80.5Confident89.2Confident88 Ų8843.3 Ų43.347%0.47123%0.234SC..  trans-96.837.4172.6-73.5-23.3000112S639N635-S639 WeakPolarHBondContact CA-OG 3.24Å; N635-S639 PolarHBondContact N-OG 3.08Å
636G85.7Confident88.9Confident21 Ų2145.7 Ų45.722%0.21625%0.245CC..G310 helixtrans69.1-151.7179.200000113.5E629 H638 S639E629-G636 WeakPolarHBondContact O-CA 3.44Å; G636-H638 PolarHBondContact O-N 3.19Å; G636-S639 PolarHBondContact N-OG 3.32Å; G636-S639 VanDerWaalsContact O-CB 3.25Å; G636-S639 WeakPolarHBondContact O-CB 3.19Å; G636-S639 PolarHBondContact O-N 3.4Å; G636-S639 PolarHBondContact O-OG 2.65Å
637P83Confident88.8Confident86 Ų8644.3 Ų44.356%0.55823%0.23SC*.G310 helixtrans-60.5-17.9-178.6-25.435.1000115.4S639P637-S639 VanDerWaalsContact C-N 3.25Å; P637-S639 PolarHBondContact O-N 2.89Å
638H78.6Confident88.6Confident158 Ų15843.1 Ų43.173%0.73123%0.226SC*.G310 helixtrans-80.7-5.5177-64.5-59.4000113.6G636G636-H638 PolarHBondContact O-N 3.19Å
639S82.6Confident88.4Confident0 Ų045 Ų450%024%0.241CC..G310 helixtrans-78.9-26.9179.3-44.40000112.7Y194 N635 G636 P637 Y700Y194-S639 PolarHBondContact OH-O 3.08Å; N635-S639 WeakPolarHBondContact CA-OG 3.24Å; N635-S639 PolarHBondContact N-OG 3.08Å; G636-S639 PolarHBondContact N-OG 3.32Å; G636-S639 VanDerWaalsContact O-CB 3.25Å; G636-S639 WeakPolarHBondContact O-CB 3.19Å; G636-S639 PolarHBondContact O-N 3.4Å; G636-S639 PolarHBondContact O-OG 2.65Å; P637-S639 VanDerWaalsContact C-N 3.25Å; P637-S639 PolarHBondContact O-N 2.89Å; S639-Y700 WeakPolarHBondContact CB-O 3.2Å; S639-Y700 WeakPolarHBondContact O-CB 3.28Å; S639-Y700 PolarHBondContact O-N 3.33Å
640S89.2Confident88.1Confident11 Ų1145.4 Ų45.48%0.07724%0.243CC..EExtended strand (participates in β ladder)trans-99.5140.8-172.576.90000112.2E629 L698E629-S640 WeakPolarHBondContact OE1-CB 3.22Å; E629-S640 PolarHBondContact OE1-OG 3.28Å; S640-L698 CarbonylContact C-O 3.58Å; S640-L698 WeakPolarHBondContact CA-O 3.45Å
641L88Confident87.9Confident5 Ų542.3 Ų42.33%0.02622%0.221CC..EExtended strand (participates in β ladder)trans-109.789.5168.2179.664.8000108.9Y194 Q201 F203 Y676 M679 F697 L698Y194-L641 HydrophobicContact CD1-CB 4.08Å; Y194-L641 HydrophobicContact CD1-CD1 4.11Å; Y194-L641 HydrophobicContact CD1-CD2 3.8Å; Y194-L641 HydrophobicContact CD1-CG 4.23Å; Y194-L641 HydrophobicContact CE1-CB 3.3Å; Y194-L641 HydrophobicContact CE1-CD1 4.18Å; Y194-L641 HydrophobicContact CE1-CD2 3.47Å; Y194-L641 VanDerWaalsContact CE1-CD2 3.47Å; Y194-L641 HydrophobicContact CE1-CG 3.83Å; Y194-L641 HydrophobicContact CE2-CB 4.15Å; Y194-L641 WeakPolarHBondContact OH-CB 3.5Å; Y194-L641 PolarHBondContact OH-N 3.09Å; Q201-L641 HydrophobicContact CB-CD1 4.16Å; F203-L641 HydrophobicContact CB-CD2 4.3Å; L641-Y676 HydrophobicContact CD1-CE1 3.68Å; L641-Y676 WeakPolarHBondContact CD1-OH 3.49Å; L641-Y676 HydrophobicContact CG-CE1 3.98Å; L641-M679 HydrophobicContact CD2-CE 3.64Å; L641-M679 HydrophobicContact CD2-SD 4.45Å; L641-M679 HydrophobicContact CG-CE 4.37Å; L641-F697 WeakPolarHBondContact O-CB 3.48Å; L641-L698 HydrophobicContact CB-CB 4.38Å; L641-L698 PolarHBondContact N-O 3.18Å; L641-L698 PolarHBondContact O-N 2.94Å
642L92.1Very high87.5Confident4 Ų448.1 Ų48.12%0.02125%0.248CC..  trans-115.2109.1-176175.560.4000110.4F621 F622 V625 L644 R645 F695 F697F621-L642 HydrophobicContact CE1-CD1 4.07Å; F621-L642 HydrophobicContact CE1-CD2 3.86Å; F621-L642 HydrophobicContact CZ-CD1 4.11Å; F621-L642 HydrophobicContact CZ-CD2 4.46Å; F622-L642 HydrophobicContact CD1-CD2 4.38Å; F622-L642 HydrophobicContact CE1-CD2 3.7Å; F622-L642 HydrophobicContact CZ-CD2 4.47Å; V625-L642 HydrophobicContact CG1-CD2 4.07Å; V625-L642 HydrophobicContact CG2-CD2 3.96Å; L642-L644 HydrophobicContact CD1-CB 3.9Å; L642-L644 HydrophobicContact CG-CB 4.02Å; L642-L644 PolarHBondContact O-N 3.34Å; L642-R645 HydrophobicContact CB-CG 4.42Å; L642-R645 HydrophobicContact CD2-CG 3.95Å; L642-R645 HydrophobicContact CG-CG 4.25Å; L642-R645 PolarHBondContact O-N 3.05Å; L642-F695 HydrophobicContact CD1-CE2 3.98Å; L642-F697 HydrophobicContact CB-CB 4.31Å; L642-F697 HydrophobicContact CB-CD2 4.45Å; L642-F697 HydrophobicContact CD1-CB 3.84Å; L642-F697 HydrophobicContact CD1-CD1 4.18Å; L642-F697 HydrophobicContact CD1-CG 3.97Å
643W92.3Very high87.3Confident0 Ų047.1 Ų47.10%025%0.25CC..Hα-helixtrans-55.6-34.6178.471.6-92.1000112.7R645 H646 Y647 Y661 L664 F667 Y676 I680 V692 F695W643-R645 VanDerWaalsContact C-N 3.28Å; W643-R645 PolarHBondContact O-N 2.55Å; W643-H646 PolarHBondContact O-N 3.48Å; W643-Y647 HydrophobicContact CE3-CG 4.27Å; W643-Y647 HydrophobicContact CZ3-CD1 4.06Å; W643-Y647 HydrophobicContact CZ3-CD2 4.31Å; W643-Y647 AromaticContact CZ3-CG 3.75Å; W643-Y647 HydrophobicContact CZ3-CG 3.75Å; W643-Y647 PolarHBondContact O-N 2.78Å; W643-Y661 HydrophobicContact CH2-CD1 4.14Å; W643-Y661 AromaticContact CH2-CE1 3.8Å; W643-Y661 HydrophobicContact CH2-CE1 3.8Å; W643-L664 HydrophobicContact CE3-CD1 4.3Å; W643-L664 HydrophobicContact CH2-CD1 4Å; W643-L664 HydrophobicContact CZ3-CD1 3.58Å; W643-F667 HydrophobicContact CE3-CE1 4.19Å; W643-Y676 HydrophobicContact CB-CD1 3.38Å; W643-Y676 HydrophobicContact CB-CD2 3.98Å; W643-Y676 HydrophobicContact CB-CE1 3.92Å; W643-Y676 HydrophobicContact CB-CE2 4.46Å; W643-Y676 HydrophobicContact CB-CG 3.42Å; W643-Y676 VanDerWaalsContact CB-CG 3.42Å; W643-I680 HydrophobicContact CB-CD1 4.28Å; W643-I680 HydrophobicContact CD2-CD1 3.34Å; W643-I680 HydrophobicContact CD2-CG1 3.93Å; W643-I680 HydrophobicContact CE3-CD1 3.64Å; W643-I680 HydrophobicContact CG-CD1 3.65Å; W643-I680 HydrophobicContact CG-CG1 4.01Å; W643-I680 HydrophobicContact CH2-CD1 4.32Å; W643-I680 HydrophobicContact CZ2-CD1 4.1Å; W643-I680 HydrophobicContact CZ2-CG1 4.25Å; W643-I680 HydrophobicContact CZ2-CG2 4.49Å; W643-I680 HydrophobicContact CZ3-CD1 4.12Å; W643-V692 HydrophobicContact CH2-CG2 4.45Å; W643-F695 AromaticContact CD1-CD2 3.94Å; W643-F695 HydrophobicContact CZ2-CD1 4.04Å; W643-F695 HydrophobicContact CZ2-CE1 4.37Å; W643-F695 HydrophobicContact CZ2-CG 4.26Å; W643-F695 AromaticContact NE1-CD1 3.92Å; W643-F695 AromaticContact NE1-CD2 3.2Å; W643-F695 AromaticContact NE1-CE2 3.73Å; W643-F695 AromaticContact NE1-CG 3.3Å; W643-F695 VanDerWaalsContact NE1-CG 3.3Å
644L93.3Very high87Confident0 Ų047.7 Ų47.70%026%0.256CS..Hα-helixtrans-62.4-33.1-174.8-168.364.6000112.5P612 F621 F622 L642 H646 Y647 L648 Y661P612-L644 HydrophobicContact CG-CD2 4.06Å; F621-L644 HydrophobicContact CD1-CD2 3.79Å; F621-L644 HydrophobicContact CE1-CD2 3.72Å; F622-L644 HydrophobicContact CE2-CD2 4.3Å; F622-L644 HydrophobicContact CZ-CD2 4.16Å; F622-L644 HydrophobicContact CZ-CG 4.19Å; L642-L644 HydrophobicContact CD1-CB 3.9Å; L642-L644 HydrophobicContact CG-CB 4.02Å; L642-L644 PolarHBondContact O-N 3.34Å; L644-H646 VanDerWaalsContact C-N 3.32Å; L644-H646 PolarHBondContact O-N 3.09Å; L644-Y647 HydrophobicContact CD1-CD1 4.07Å; L644-Y647 PolarHBondContact O-N 3.04Å; L644-L648 HydrophobicContact CG-CD1 4.38Å; L644-L648 VanDerWaalsContact O-CG 3.29Å; L644-L648 WeakPolarHBondContact O-CG 3.34Å; L644-L648 PolarHBondContact O-N 2.94Å; L644-Y661 HydrophobicContact CD1-CE1 4.13Å
645R91Very high86.1Confident88 Ų8854.9 Ų54.933%0.33229%0.29SS..Hα-helixtrans-60.9-43.2174.5-69.2-177.4-175-83.88111.2F622 E629 L642 W643 A649F622-R645 HydrophobicContact CE1-CG 3.6Å; F622-R645 HydrophobicContact CZ-CG 4.17Å; E629-R645 IonicContact OE1-CZ 2.97Å; E629-R645 IonicContact OE1-NE 3.87Å; E629-R645 IonicContact OE1-NH2 3.74Å; E629-R645 PolarHBondContact OE1-NH2 2.86Å; E629-R645 IonicContact OE2-CZ 2.72Å; E629-R645 IonicContact OE2-NH2 2.75Å; E629-R645 PolarHBondContact OE2-NH2 3.12Å; L642-R645 HydrophobicContact CB-CG 4.42Å; L642-R645 HydrophobicContact CD2-CG 3.95Å; L642-R645 HydrophobicContact CG-CG 4.25Å; L642-R645 PolarHBondContact O-N 3.05Å; W643-R645 VanDerWaalsContact C-N 3.28Å; W643-R645 PolarHBondContact O-N 2.55Å; R645-A649 PolarHBondContact O-N 3.13Å
646H89.4Confident85.4Confident50 Ų5054.9 Ų54.923%0.23129%0.293CS..Hα-helixtrans-76.4-34.2-179.5-65.9170000112.7Q201 W643 L644 A649 F650 F667 Y673 Y676Q201-H646 VanDerWaalsContact CD-CE1 3.44Å; Q201-H646 PolarHBondContact OE1-CE1 3.32Å; Q201-H646 VanDerWaalsContact OE1-CE1 3.28Å; W643-H646 PolarHBondContact O-N 3.48Å; L644-H646 VanDerWaalsContact C-N 3.32Å; L644-H646 PolarHBondContact O-N 3.09Å; H646-A649 PolarHBondContact O-N 2.98Å; H646-F650 WeakPolarHBondContact O-CB 3.29Å; H646-F650 PolarHBondContact O-N 2.73Å; H646-F667 HydrophobicContact CB-CE2 4.19Å; H646-F667 HydrophobicContact CB-CZ 4.19Å; H646-Y673 HydrophobicContact CB-CD1 4.19Å; H646-Y673 HydrophobicContact CB-CE1 3.9Å; H646-Y676 HydrophobicContact CB-CE2 4.46Å; H646-Y676 PolarHBondContact CE1-OH 2.92Å; H646-Y676 AromaticContact ND1-CE2 3.59Å; H646-Y676 AromaticContact ND1-CZ 3.59Å; H646-Y676 PolarHBondContact ND1-OH 2.97Å
647Y92Very high84.1Confident2 Ų263.2 Ų63.21%0.00833%0.326CS..Hα-helixtrans-60.6-47.1173.6174.8-105.7000111.5W643 L644 A649 F650 C651 L660 Y661 L663 L664 F667W643-Y647 HydrophobicContact CE3-CG 4.27Å; W643-Y647 HydrophobicContact CZ3-CD1 4.06Å; W643-Y647 HydrophobicContact CZ3-CD2 4.31Å; W643-Y647 AromaticContact CZ3-CG 3.75Å; W643-Y647 HydrophobicContact CZ3-CG 3.75Å; W643-Y647 PolarHBondContact O-N 2.78Å; L644-Y647 HydrophobicContact CD1-CD1 4.07Å; L644-Y647 PolarHBondContact O-N 3.04Å; Y647-A649 PolarHBondContact O-N 3.41Å; Y647-F650 WeakPolarHBondContact O-CA 3.38Å; Y647-F650 WeakPolarHBondContact O-CB 3.47Å; Y647-F650 PolarHBondContact O-N 3Å; Y647-F650 VanDerWaalsContact O-N 3.09Å; Y647-C651 PolarHBondContact O-N 3.47Å; Y647-C651 PolarHBondContact O-SG 3.47Å; Y647-L660 WeakPolarHBondContact CE1-O 3.11Å; Y647-L660 PolarHBondContact OH-O 2.91Å; Y647-Y661 HydrophobicContact CE1-CD1 4.21Å; Y647-Y661 VanDerWaalsContact OH-C 3.26Å; Y647-Y661 VanDerWaalsContact OH-CA 3.23Å; Y647-Y661 WeakPolarHBondContact OH-CA 3.18Å; Y647-L663 HydrophobicContact CE2-CB 4.11Å; Y647-L663 PolarHBondContact OH-N 3.22Å; Y647-L664 HydrophobicContact CD2-CD1 4.43Å; Y647-L664 HydrophobicContact CE2-CB 4.3Å; Y647-F667 HydrophobicContact CD2-CB 3.87Å; Y647-F667 HydrophobicContact CD2-CD1 4.05Å; Y647-F667 HydrophobicContact CD2-CD2 4.06Å; Y647-F667 AromaticContact CD2-CG 3.75Å; Y647-F667 HydrophobicContact CD2-CG 3.75Å; Y647-F667 HydrophobicContact CE2-CB 4.21Å
648L90.4Very high83.3Confident41 Ų4161.9 Ų61.922%0.21533%0.328CS..Hα-helixtrans-64-40.9178.1-66.2170.7000112.4M618 F622 L644 F650 C651 Q652 L660M618-L648 HydrophobicContact CE-CD1 4.45Å; M618-L648 HydrophobicContact CE-CD2 4.11Å; M618-L648 HydrophobicContact CG-CD1 4.48Å; M618-L648 HydrophobicContact SD-CD1 3.53Å; M618-L648 VanDerWaalsContact SD-CD1 3.53Å; M618-L648 HydrophobicContact SD-CD2 3.64Å; M618-L648 HydrophobicContact SD-CG 4.21Å; F622-L648 HydrophobicContact CE2-CD1 3.47Å; F622-L648 VanDerWaalsContact CE2-CD1 3.47Å; F622-L648 HydrophobicContact CZ-CD1 3.7Å; L644-L648 HydrophobicContact CG-CD1 4.38Å; L644-L648 VanDerWaalsContact O-CG 3.29Å; L644-L648 WeakPolarHBondContact O-CG 3.34Å; L644-L648 PolarHBondContact O-N 2.94Å; L648-F650 VanDerWaalsContact C-N 3.28Å; L648-F650 PolarHBondContact O-N 2.68Å; L648-C651 PolarHBondContact O-N 2.77Å; L648-Q652 WeakPolarHBondContact O-CG 3.46Å; L648-Q652 PolarHBondContact O-N 2.9Å; L648-Q652 VanDerWaalsContact O-N 3.08Å; L648-L660 HydrophobicContact CD2-CD1 4.39Å
649A88.5Confident83Confident40 Ų4060.6 Ų60.633%0.33132%0.32SS..Hα-helixtrans-62.9-35173.100000112.3R645 H646 Y647 N653R645-A649 PolarHBondContact O-N 3.13Å; H646-A649 PolarHBondContact O-N 2.98Å; Y647-A649 PolarHBondContact O-N 3.41Å; A649-N653 PolarHBondContact O-N 3.49Å; A649-N653 PolarHBondContact O-ND2 3.47Å
650F88.4Confident83Confident22 Ų2262.8 Ų62.810%0.09633%0.332CS..Hα-helixtrans-66.9-46.1174.3175.6-101.4000111.6H646 Y647 L648 Q652 N653 V654 L663 L666 F667 Y673H646-F650 WeakPolarHBondContact O-CB 3.29Å; H646-F650 PolarHBondContact O-N 2.73Å; Y647-F650 WeakPolarHBondContact O-CA 3.38Å; Y647-F650 WeakPolarHBondContact O-CB 3.47Å; Y647-F650 PolarHBondContact O-N 3Å; Y647-F650 VanDerWaalsContact O-N 3.09Å; L648-F650 VanDerWaalsContact C-N 3.28Å; L648-F650 PolarHBondContact O-N 2.68Å; F650-Q652 VanDerWaalsContact C-N 3.31Å; F650-Q652 PolarHBondContact O-N 2.83Å; F650-N653 PolarHBondContact O-N 2.69Å; F650-N653 VanDerWaalsContact O-N 3.08Å; F650-V654 HydrophobicContact CD1-CG2 4.37Å; F650-V654 HydrophobicContact CD2-CG2 4.4Å; F650-V654 HydrophobicContact CE1-CG2 3.95Å; F650-V654 HydrophobicContact CE2-CG2 3.98Å; F650-V654 HydrophobicContact CZ-CG2 3.74Å; F650-V654 WeakPolarHBondContact O-CG2 3.3Å; F650-V654 PolarHBondContact O-N 2.96Å; F650-L663 HydrophobicContact CE1-CB 4.32Å; F650-L666 HydrophobicContact CE1-CD2 4.29Å; F650-L666 HydrophobicContact CE1-CG 4.39Å; F650-L666 HydrophobicContact CZ-CD2 4.02Å; F650-L666 HydrophobicContact CZ-CG 4.06Å; F650-F667 HydrophobicContact CB-CD2 3.87Å; F650-F667 HydrophobicContact CB-CE2 4.28Å; F650-F667 HydrophobicContact CD1-CB 3.95Å; F650-F667 AromaticContact CD1-CD2 3.97Å; F650-F667 HydrophobicContact CD1-CD2 3.97Å; F650-F667 HydrophobicContact CD1-CG 4.46Å; F650-F667 HydrophobicContact CE1-CB 4.03Å; F650-F667 AromaticContact CG-CD2 3.9Å; F650-F667 HydrophobicContact CG-CD2 3.9Å; F650-Y673 HydrophobicContact CB-CE2 4.3Å; F650-Y673 AromaticContact CD2-CE2 3.85Å; F650-Y673 HydrophobicContact CD2-CE2 3.85Å; F650-Y673 HydrophobicContact CG-CE2 4.31Å
651C87.9Confident83Confident27 Ų2763.2 Ų63.218%0.18233%0.332CS..Hα-helixtrans-58.4-41.9177.4-65.40000112.4Y647 L648 N653 V654 M655 L663Y647-C651 PolarHBondContact O-N 3.47Å; Y647-C651 PolarHBondContact O-SG 3.47Å; L648-C651 PolarHBondContact O-N 2.77Å; C651-N653 PolarHBondContact O-N 3.05Å; C651-V654 PolarHBondContact O-N 3.32Å; C651-M655 PolarHBondContact O-N 2.65Å; C651-L663 HydrophobicContact CB-CD1 4.28Å
652Q84.8Confident82.9Confident154 Ų15466.5 Ų66.572%0.7235%0.349SS*.Hα-helixtrans-59.5-35.4176.4-74.1176.4-14.800112.5L648 F650L648-Q652 WeakPolarHBondContact O-CG 3.46Å; L648-Q652 PolarHBondContact O-N 2.9Å; L648-Q652 VanDerWaalsContact O-N 3.08Å; F650-Q652 VanDerWaalsContact C-N 3.31Å; F650-Q652 PolarHBondContact O-N 2.83Å
653N82.5Confident82.8Confident130 Ų13067.6 Ų67.670%0.69536%0.355SS*.Hα-helixtrans-76.8-27.9179.5-69.3-36.2000113.6A649 F650 C651A649-N653 PolarHBondContact O-N 3.49Å; A649-N653 PolarHBondContact O-ND2 3.47Å; F650-N653 PolarHBondContact O-N 2.69Å; F650-N653 VanDerWaalsContact O-N 3.08Å; C651-N653 PolarHBondContact O-N 3.05Å
654V80.6Confident82.7Confident54 Ų5467.6 Ų67.633%0.32736%0.355SS..Hα-helixtrans-83.3-14.5-177.6179.20000111.9F650 C651 V656 L663F650-V654 HydrophobicContact CD1-CG2 4.37Å; F650-V654 HydrophobicContact CD2-CG2 4.4Å; F650-V654 HydrophobicContact CE1-CG2 3.95Å; F650-V654 HydrophobicContact CE2-CG2 3.98Å; F650-V654 HydrophobicContact CZ-CG2 3.74Å; F650-V654 WeakPolarHBondContact O-CG2 3.3Å; F650-V654 PolarHBondContact O-N 2.96Å; C651-V654 PolarHBondContact O-N 3.32Å; V654-V656 VanDerWaalsContact C-N 3.29Å; V654-V656 HydrophobicContact CG1-CG2 3.89Å; V654-V656 PolarHBondContact O-N 2.9Å; V654-L663 HydrophobicContact CB-CD1 4.12Å; V654-L663 HydrophobicContact CG1-CD1 4.11Å
655M67.9Low82.5Confident171 Ų17172.3 Ų72.384%0.84238%0.377SS*.THydrogen-bonded Turntrans52.838.2176.8-57.8-139.1-58.300114.6C651C651-M655 PolarHBondContact O-N 2.65Å
656V64.4Low82.5Confident89 Ų8972 Ų7254%0.53938%0.382SS..  trans-106.6115.9174175.20000109.2V654V654-V656 VanDerWaalsContact C-N 3.29Å; V654-V656 HydrophobicContact CG1-CG2 3.89Å; V654-V656 PolarHBondContact O-N 2.9Å
657E58.2Low82.6Confident196 Ų19669.7 Ų69.792%0.91637%0.371SS*.  trans-73.7128.5166.9-71.2-178.5172.100109.5
658G66.9Low82.5Confident58 Ų5870.2 Ų70.260%0.59837%0.374SS*.  trans-178.5-178.2-176.300000114
659K72.3Confident82.5Confident130 Ų13074.7 Ų74.757%0.56539%0.394SS*.  trans-63.2144.8176.5-63173.4179.6170.20110Y661 N662 K689K659-Y661 VanDerWaalsContact C-N 3.31Å; K659-Y661 PolarHBondContact O-N 3.27Å; K659-N662 WeakPolarHBondContact O-CB 3.32Å; K659-N662 PolarHBondContact O-N 3.48Å; K659-K689 HydrophobicContact CD-CD 4.37Å; K659-K689 HydrophobicContact CD-CG 4.28Å
660L82.3Confident82.5Confident46 Ų4675 Ų7524%0.24139%0.39CS..THydrogen-bonded Turntrans-47.2-43.2-164.7-177.264.1000115.7P612 M618 Y647 L648P612-L660 WeakPolarHBondContact O-CD2 3.45Å; M618-L660 HydrophobicContact CE-CD1 3.24Å; M618-L660 HydrophobicContact CE-CD2 3.41Å; M618-L660 VanDerWaalsContact CE-CD2 3.41Å; M618-L660 HydrophobicContact CE-CG 3.83Å; M618-L660 HydrophobicContact SD-CD1 4.18Å; Y647-L660 WeakPolarHBondContact CE1-O 3.11Å; Y647-L660 PolarHBondContact OH-O 2.91Å; L648-L660 HydrophobicContact CD2-CD1 4.39Å
661Y89.3Confident82.3Confident20 Ų2080.6 Ų80.68%0.07841%0.411CS..THydrogen-bonded Turntrans-1038.6-174-61.8-63000115.1P612 W643 L644 Y647 K659 L663 L664 V692P612-Y661 VanDerWaalsContact O-CE2 3.31Å; P612-Y661 WeakPolarHBondContact O-CE2 3.38Å; P612-Y661 VanDerWaalsContact O-CZ 3.3Å; P612-Y661 PolarHBondContact O-OH 3.49Å; W643-Y661 HydrophobicContact CH2-CD1 4.14Å; W643-Y661 AromaticContact CH2-CE1 3.8Å; W643-Y661 HydrophobicContact CH2-CE1 3.8Å; L644-Y661 HydrophobicContact CD1-CE1 4.13Å; Y647-Y661 HydrophobicContact CE1-CD1 4.21Å; Y647-Y661 VanDerWaalsContact OH-C 3.26Å; Y647-Y661 VanDerWaalsContact OH-CA 3.23Å; Y647-Y661 WeakPolarHBondContact OH-CA 3.18Å; K659-Y661 VanDerWaalsContact C-N 3.31Å; K659-Y661 PolarHBondContact O-N 3.27Å; Y661-L663 PolarHBondContact O-N 2.82Å; Y661-L663 VanDerWaalsContact O-N 3.16Å; Y661-L664 WeakPolarHBondContact O-CB 3.17Å; Y661-L664 PolarHBondContact O-N 2.76Å; Y661-V692 HydrophobicContact CD1-CG2 3.63Å; Y661-V692 HydrophobicContact CD2-CB 4.47Å; Y661-V692 HydrophobicContact CD2-CG2 3.95Å; Y661-V692 HydrophobicContact CE1-CG2 3.89Å; Y661-V692 HydrophobicContact CE2-CB 4.38Å; Y661-V692 HydrophobicContact CE2-CG2 4.2Å; Y661-V692 HydrophobicContact CG-CG2 3.66Å
662N86.4Confident82.1Confident74 Ų7484 Ų8440%0.39642%0.42SS..THydrogen-bonded Turntrans-61.1-28.5-173.3-81.41.9000114.3K659 L664K659-N662 WeakPolarHBondContact O-CB 3.32Å; K659-N662 PolarHBondContact O-N 3.48Å; N662-L664 VanDerWaalsContact C-N 3.33Å
663L89.2Confident82.3Confident27 Ų2778.2 Ų78.214%0.14139%0.392CS..THydrogen-bonded Turntrans-91.96.4-179.9-63.6178.9000112.7Y647 F650 C651 V654 Y661 E665 L666 F667Y647-L663 HydrophobicContact CE2-CB 4.11Å; Y647-L663 PolarHBondContact OH-N 3.22Å; F650-L663 HydrophobicContact CE1-CB 4.32Å; C651-L663 HydrophobicContact CB-CD1 4.28Å; V654-L663 HydrophobicContact CB-CD1 4.12Å; V654-L663 HydrophobicContact CG1-CD1 4.11Å; Y661-L663 PolarHBondContact O-N 2.82Å; Y661-L663 VanDerWaalsContact O-N 3.16Å; L663-E665 PolarHBondContact O-N 3.09Å; L663-L666 HydrophobicContact CD2-CD2 4.33Å; L663-L666 PolarHBondContact O-N 2.8Å; L663-F667 VanDerWaalsContact O-CB 3.28Å; L663-F667 WeakPolarHBondContact O-CB 3.49Å; L663-F667 PolarHBondContact O-N 3.19Å
664L91.7Very high82.4Confident0 Ų078.4 Ų78.40%039%0.387CS..Hα-helixtrans-62.4-42.3-174.1-178.866.3000112.2W643 Y647 Y661 N662 F667 L668 I680 W682 V690 V692W643-L664 HydrophobicContact CE3-CD1 4.3Å; W643-L664 HydrophobicContact CH2-CD1 4Å; W643-L664 HydrophobicContact CZ3-CD1 3.58Å; Y647-L664 HydrophobicContact CD2-CD1 4.43Å; Y647-L664 HydrophobicContact CE2-CB 4.3Å; Y661-L664 WeakPolarHBondContact O-CB 3.17Å; Y661-L664 PolarHBondContact O-N 2.76Å; N662-L664 VanDerWaalsContact C-N 3.33Å; L664-F667 HydrophobicContact CD1-CD1 4.27Å; L664-F667 WeakPolarHBondContact O-CB 3.4Å; L664-F667 PolarHBondContact O-N 3.4Å; L664-L668 HydrophobicContact CD1-CD1 4.23Å; L664-L668 HydrophobicContact CD1-CG 4.27Å; L664-L668 HydrophobicContact CG-CD1 4.11Å; L664-L668 HydrophobicContact CG-CG 4.45Å; L664-L668 VanDerWaalsContact O-CG 3.3Å; L664-L668 WeakPolarHBondContact O-CG 3.41Å; L664-L668 PolarHBondContact O-N 2.89Å; L664-I680 HydrophobicContact CD1-CD1 4.26Å; L664-I680 HydrophobicContact CD2-CG2 4.45Å; L664-W682 HydrophobicContact CD2-CB 3.87Å; L664-W682 HydrophobicContact CD2-CD2 4.06Å; L664-W682 HydrophobicContact CD2-CG 3.76Å; L664-V690 HydrophobicContact CB-CG1 4.09Å; L664-V690 HydrophobicContact CD2-CG1 3.93Å; L664-V692 HydrophobicContact CD2-CG2 3.61Å
665E89.4Confident82.3Confident100 Ų10079.4 Ų79.447%0.46739%0.39SS..Hα-helixtrans-62.3-50.6178.7-173.1165.4-156.600110.7L663 F667 L668 E669 W682L663-E665 PolarHBondContact O-N 3.09Å; E665-F667 VanDerWaalsContact C-N 3.27Å; E665-F667 PolarHBondContact O-N 3.45Å; E665-L668 PolarHBondContact O-N 3.38Å; E665-E669 WeakPolarHBondContact O-CG 3.49Å; E665-E669 PolarHBondContact O-N 2.9Å; E665-W682 HydrophobicContact CB-CH2 3.91Å; E665-W682 HydrophobicContact CB-CZ2 4.49Å; E665-W682 HydrophobicContact CG-CH2 3.9Å; E665-W682 HydrophobicContact CG-CZ2 4.45Å
666L89.5Confident83.3Confident82 Ų8271.7 Ų71.743%0.42935%0.352SS..Hα-helixtrans-59.1-37.4175-17468.3000112.6F650 L663 N670F650-L666 HydrophobicContact CE1-CD2 4.29Å; F650-L666 HydrophobicContact CE1-CG 4.39Å; F650-L666 HydrophobicContact CZ-CD2 4.02Å; F650-L666 HydrophobicContact CZ-CG 4.06Å; L663-L666 HydrophobicContact CD2-CD2 4.33Å; L663-L666 PolarHBondContact O-N 2.8Å; L666-N670 PolarHBondContact O-N 3.29Å
667F91.2Very high84.4Confident0 Ų069 Ų690%034%0.339CS..Hα-helixtrans-63-45.3174.3170.7-99.9000111.2W643 H646 Y647 F650 L663 L664 E665 N670 Y673 Y676W643-F667 HydrophobicContact CE3-CE1 4.19Å; H646-F667 HydrophobicContact CB-CE2 4.19Å; H646-F667 HydrophobicContact CB-CZ 4.19Å; Y647-F667 HydrophobicContact CD2-CB 3.87Å; Y647-F667 HydrophobicContact CD2-CD1 4.05Å; Y647-F667 HydrophobicContact CD2-CD2 4.06Å; Y647-F667 AromaticContact CD2-CG 3.75Å; Y647-F667 HydrophobicContact CD2-CG 3.75Å; Y647-F667 HydrophobicContact CE2-CB 4.21Å; F650-F667 HydrophobicContact CB-CD2 3.87Å; F650-F667 HydrophobicContact CB-CE2 4.28Å; F650-F667 HydrophobicContact CD1-CB 3.95Å; F650-F667 AromaticContact CD1-CD2 3.97Å; F650-F667 HydrophobicContact CD1-CD2 3.97Å; F650-F667 HydrophobicContact CD1-CG 4.46Å; F650-F667 HydrophobicContact CE1-CB 4.03Å; F650-F667 AromaticContact CG-CD2 3.9Å; F650-F667 HydrophobicContact CG-CD2 3.9Å; L663-F667 VanDerWaalsContact O-CB 3.28Å; L663-F667 WeakPolarHBondContact O-CB 3.49Å; L663-F667 PolarHBondContact O-N 3.19Å; L664-F667 HydrophobicContact CD1-CD1 4.27Å; L664-F667 WeakPolarHBondContact O-CB 3.4Å; L664-F667 PolarHBondContact O-N 3.4Å; E665-F667 VanDerWaalsContact C-N 3.27Å; E665-F667 PolarHBondContact O-N 3.45Å; F667-N670 VanDerWaalsContact O-CB 3.29Å; F667-N670 WeakPolarHBondContact O-CB 3.14Å; F667-N670 PolarHBondContact O-N 3.32Å; F667-Y673 HydrophobicContact CD2-CD1 4.4Å; F667-Y673 AromaticContact CD2-CD2 3.34Å; F667-Y673 HydrophobicContact CD2-CD2 3.34Å; F667-Y673 AromaticContact CD2-CE2 3.92Å; F667-Y673 HydrophobicContact CD2-CE2 3.92Å; F667-Y673 AromaticContact CD2-CG 3.63Å; F667-Y673 HydrophobicContact CD2-CG 3.63Å; F667-Y673 HydrophobicContact CE1-CG 4.33Å; F667-Y673 AromaticContact CE2-CD1 3.52Å; F667-Y673 HydrophobicContact CE2-CD1 3.52Å; F667-Y673 AromaticContact CE2-CD2 3.3Å; F667-Y673 HydrophobicContact CE2-CD2 3.3Å; F667-Y673 AromaticContact CE2-CE1 3.99Å; F667-Y673 HydrophobicContact CE2-CE1 3.99Å; F667-Y673 AromaticContact CE2-CE2 3.83Å; F667-Y673 HydrophobicContact CE2-CE2 3.83Å; F667-Y673 AromaticContact CE2-CG 3.14Å; F667-Y673 HydrophobicContact CE2-CG 3.14Å; F667-Y673 HydrophobicContact CG-CD2 4.23Å; F667-Y673 HydrophobicContact CG-CG 4.41Å; F667-Y673 VanDerWaalsContact CZ-CB 3.47Å; F667-Y673 AromaticContact CZ-CD1 3.82Å; F667-Y673 HydrophobicContact CZ-CD1 3.82Å; F667-Y673 HydrophobicContact CZ-CD2 4.17Å; F667-Y673 AromaticContact CZ-CG 3.56Å; F667-Y673 HydrophobicContact CZ-CG 3.56Å; F667-Y673 WeakPolarHBondContact O-CB 3.36Å; F667-Y676 HydrophobicContact CE1-CD2 4.15Å; F667-Y676 AromaticContact CZ-CD2 3.91Å; F667-Y676 HydrophobicContact CZ-CD2 3.91Å; F667-Y676 HydrophobicContact CZ-CE2 4.43Å
668L91.6Very high85.6Confident13 Ų1364.2 Ų64.27%0.06832%0.32CS..Hα-helixtrans-75-24.5-179-66.5178.9000113.5L664 E665 N670 K674 A677 I680 W682L664-L668 HydrophobicContact CD1-CD1 4.23Å; L664-L668 HydrophobicContact CD1-CG 4.27Å; L664-L668 HydrophobicContact CG-CD1 4.11Å; L664-L668 HydrophobicContact CG-CG 4.45Å; L664-L668 VanDerWaalsContact O-CG 3.3Å; L664-L668 WeakPolarHBondContact O-CG 3.41Å; L664-L668 PolarHBondContact O-N 2.89Å; E665-L668 PolarHBondContact O-N 3.38Å; L668-N670 VanDerWaalsContact C-N 3.29Å; L668-K674 WeakPolarHBondContact O-CA 3.23Å; L668-A677 HydrophobicContact CD1-CB 4.46Å; L668-A677 HydrophobicContact CD2-CB 4.16Å; L668-I680 HydrophobicContact CD2-CD1 4.16Å; L668-W682 HydrophobicContact CD1-CZ2 4.41Å; L668-W682 VanDerWaalsContact CD1-NE1 3.33Å
669E89.3Confident86.6Confident135 Ų13562.6 Ų62.663%0.63130%0.297SS*.Hα-helixtrans-70.4-27.3169.9-73.2-177.1162.400112.4E665 Y671E665-E669 WeakPolarHBondContact O-CG 3.49Å; E665-E669 PolarHBondContact O-N 2.9Å; E669-Y671 PolarHBondContact O-N 2.55Å
670N88.6Confident87.7Confident46 Ų4656.6 Ų56.625%0.24627%0.271CS..SBendtrans-65.7126177.5-167.9-46.4000111L666 F667 L668 R672 Y673 K674L666-N670 PolarHBondContact O-N 3.29Å; F667-N670 VanDerWaalsContact O-CB 3.29Å; F667-N670 WeakPolarHBondContact O-CB 3.14Å; F667-N670 PolarHBondContact O-N 3.32Å; L668-N670 VanDerWaalsContact C-N 3.29Å; N670-R672 PolarHBondContact O-N 3.22Å; N670-R672 PolarHBondContact OD1-N 3.32Å; N670-Y673 HydrophobicContact CB-CD2 3.91Å; N670-Y673 PolarHBondContact O-N 3.11Å; N670-K674 PolarHBondContact O-N 2.78Å
671Y84.6Confident88.2Confident141 Ų14156 Ų5655%0.55327%0.266SS*.THydrogen-bonded Turntrans-54.7-29.1-178.281.4-89.8000113.7E669 Y673E669-Y671 PolarHBondContact O-N 2.55Å; Y671-Y673 VanDerWaalsContact C-N 3.3Å; Y671-Y673 PolarHBondContact O-N 3.29Å
672R84.6Confident88.4Confident99 Ų9958.3 Ų58.337%0.37427%0.274SS..THydrogen-bonded Turntrans-68.7-27.3178.5-77.3-174.8172.4158.51.2113.6F198 L200 N670F198-R672 PolarHBondContact O-NE 3.3Å; L200-R672 WeakPolarHBondContact CD1-O 3.43Å; N670-R672 PolarHBondContact O-N 3.22Å; N670-R672 PolarHBondContact OD1-N 3.32Å
673Y88.2Confident88.6Confident31 Ų3157.4 Ų57.412%0.12227%0.265CS..THydrogen-bonded Turntrans-120.4-7.6-169-52-56.6000113.4H646 F650 F667 N670 Y671 N675 Y676H646-Y673 HydrophobicContact CB-CD1 4.19Å; H646-Y673 HydrophobicContact CB-CE1 3.9Å; F650-Y673 HydrophobicContact CB-CE2 4.3Å; F650-Y673 AromaticContact CD2-CE2 3.85Å; F650-Y673 HydrophobicContact CD2-CE2 3.85Å; F650-Y673 HydrophobicContact CG-CE2 4.31Å; F667-Y673 HydrophobicContact CD2-CD1 4.4Å; F667-Y673 AromaticContact CD2-CD2 3.34Å; F667-Y673 HydrophobicContact CD2-CD2 3.34Å; F667-Y673 AromaticContact CD2-CE2 3.92Å; F667-Y673 HydrophobicContact CD2-CE2 3.92Å; F667-Y673 AromaticContact CD2-CG 3.63Å; F667-Y673 HydrophobicContact CD2-CG 3.63Å; F667-Y673 HydrophobicContact CE1-CG 4.33Å; F667-Y673 AromaticContact CE2-CD1 3.52Å; F667-Y673 HydrophobicContact CE2-CD1 3.52Å; F667-Y673 AromaticContact CE2-CD2 3.3Å; F667-Y673 HydrophobicContact CE2-CD2 3.3Å; F667-Y673 AromaticContact CE2-CE1 3.99Å; F667-Y673 HydrophobicContact CE2-CE1 3.99Å; F667-Y673 AromaticContact CE2-CE2 3.83Å; F667-Y673 HydrophobicContact CE2-CE2 3.83Å; F667-Y673 AromaticContact CE2-CG 3.14Å; F667-Y673 HydrophobicContact CE2-CG 3.14Å; F667-Y673 HydrophobicContact CG-CD2 4.23Å; F667-Y673 HydrophobicContact CG-CG 4.41Å; F667-Y673 VanDerWaalsContact CZ-CB 3.47Å; F667-Y673 AromaticContact CZ-CD1 3.82Å; F667-Y673 HydrophobicContact CZ-CD1 3.82Å; F667-Y673 HydrophobicContact CZ-CD2 4.17Å; F667-Y673 AromaticContact CZ-CG 3.56Å; F667-Y673 HydrophobicContact CZ-CG 3.56Å; F667-Y673 WeakPolarHBondContact O-CB 3.36Å; N670-Y673 HydrophobicContact CB-CD2 3.91Å; N670-Y673 PolarHBondContact O-N 3.11Å; Y671-Y673 VanDerWaalsContact C-N 3.3Å; Y671-Y673 PolarHBondContact O-N 3.29Å; Y673-N675 PolarHBondContact O-N 2.93Å; Y673-Y676 HydrophobicContact CD1-CD2 4.43Å; Y673-Y676 HydrophobicContact CD1-CE2 4.15Å; Y673-Y676 WeakPolarHBondContact O-CB 3.3Å; Y673-Y676 WeakPolarHBondContact O-CD2 3.38Å; Y673-Y676 PolarHBondContact O-N 3.08Å
674K84.1Confident88.5Confident134 Ų13459.1 Ų59.158%0.58328%0.28SS*.G310 helixtrans-48-34.4178.9-169.7171.4-175.7173.60114.4L668 N670 Y676 A677L668-K674 WeakPolarHBondContact O-CA 3.23Å; N670-K674 PolarHBondContact O-N 2.78Å; K674-Y676 PolarHBondContact O-N 2.82Å; K674-A677 WeakPolarHBondContact O-CB 3.34Å; K674-A677 PolarHBondContact O-N 2.94Å; K674-A677 VanDerWaalsContact O-N 3.09Å
675N79.8Confident88.2Confident75 Ų7561.4 Ų61.440%0.40129%0.292SS..G310 helixtrans-62.4-25.6178.1-73.2-2.3000113.8L200 Y673 A677L200-N675 HydrophobicContact CD1-CB 4.28Å; L200-N675 VanDerWaalsContact CD1-ND2 3.32Å; L200-N675 WeakPolarHBondContact CD1-ND2 3.27Å; Y673-N675 PolarHBondContact O-N 2.93Å; N675-A677 PolarHBondContact O-N 2.67Å
676Y88.5Confident87.9Confident9 Ų965.9 Ų65.94%0.03531%0.313CS..G310 helixtrans-70.8-15.1176.7-66.2-59.6000113.1Q201 L641 W643 H646 F667 Y673 K674 N678 M679 I680Q201-Y676 PolarHBondContact OE1-OH 3.27Å; Q201-Y676 VanDerWaalsContact OE1-OH 3.09Å; L641-Y676 HydrophobicContact CD1-CE1 3.68Å; L641-Y676 WeakPolarHBondContact CD1-OH 3.49Å; L641-Y676 HydrophobicContact CG-CE1 3.98Å; W643-Y676 HydrophobicContact CB-CD1 3.38Å; W643-Y676 HydrophobicContact CB-CD2 3.98Å; W643-Y676 HydrophobicContact CB-CE1 3.92Å; W643-Y676 HydrophobicContact CB-CE2 4.46Å; W643-Y676 HydrophobicContact CB-CG 3.42Å; W643-Y676 VanDerWaalsContact CB-CG 3.42Å; H646-Y676 HydrophobicContact CB-CE2 4.46Å; H646-Y676 PolarHBondContact CE1-OH 2.92Å; H646-Y676 AromaticContact ND1-CE2 3.59Å; H646-Y676 AromaticContact ND1-CZ 3.59Å; H646-Y676 PolarHBondContact ND1-OH 2.97Å; F667-Y676 HydrophobicContact CE1-CD2 4.15Å; F667-Y676 AromaticContact CZ-CD2 3.91Å; F667-Y676 HydrophobicContact CZ-CD2 3.91Å; F667-Y676 HydrophobicContact CZ-CE2 4.43Å; Y673-Y676 HydrophobicContact CD1-CD2 4.43Å; Y673-Y676 HydrophobicContact CD1-CE2 4.15Å; Y673-Y676 WeakPolarHBondContact O-CB 3.3Å; Y673-Y676 WeakPolarHBondContact O-CD2 3.38Å; Y673-Y676 PolarHBondContact O-N 3.08Å; K674-Y676 PolarHBondContact O-N 2.82Å; Y676-N678 PolarHBondContact O-N 3.47Å; Y676-N678 VanDerWaalsContact O-N 3.14Å; Y676-M679 HydrophobicContact CD1-SD 3.87Å; Y676-M679 HydrophobicContact CE1-SD 4.39Å; Y676-M679 WeakPolarHBondContact O-CB 3.39Å; Y676-M679 PolarHBondContact O-N 3.2Å; Y676-I680 WeakPolarHBondContact O-CG1 3.38Å
677A86.6Confident87.5Confident34 Ų3470 Ų7028%0.28133%0.33SS..G310 helixtrans-56-33.7178.100000112.3L668 K674 N675 M679 I680L668-A677 HydrophobicContact CD1-CB 4.46Å; L668-A677 HydrophobicContact CD2-CB 4.16Å; K674-A677 WeakPolarHBondContact O-CB 3.34Å; K674-A677 PolarHBondContact O-N 2.94Å; K674-A677 VanDerWaalsContact O-N 3.09Å; N675-A677 PolarHBondContact O-N 2.67Å; A677-M679 PolarHBondContact O-N 2.92Å; A677-I680 PolarHBondContact O-N 2.99Å
678N82.9Confident87.1Confident94 Ų9472.5 Ų72.550%0.50336%0.356SS..G310 helixtrans-68.9-21.7178.3-67.3-16.8000113.3Y676 R681Y676-N678 PolarHBondContact O-N 3.47Å; Y676-N678 VanDerWaalsContact O-N 3.14Å; N678-R681 PolarHBondContact O-NH1 3.24Å; N678-R681 PolarHBondContact O-NH2 2.72Å
679M89.7Confident86.8Confident25 Ų2576.2 Ų76.212%0.12337%0.371CS..G310 helixtrans-93-5.1-176.9-57-175.2173.800113.4F78 L641 Y676 A677 F695 F696 L698F78-M679 WeakPolarHBondContact CZ-O 3.38Å; L641-M679 HydrophobicContact CD2-CE 3.64Å; L641-M679 HydrophobicContact CD2-SD 4.45Å; L641-M679 HydrophobicContact CG-CE 4.37Å; Y676-M679 HydrophobicContact CD1-SD 3.87Å; Y676-M679 HydrophobicContact CE1-SD 4.39Å; Y676-M679 WeakPolarHBondContact O-CB 3.39Å; Y676-M679 PolarHBondContact O-N 3.2Å; A677-M679 PolarHBondContact O-N 2.92Å; M679-F695 CarbonylContact O-C 3.55Å; M679-F695 WeakPolarHBondContact O-CA 3.26Å; M679-F695 WeakPolarHBondContact O-CB 3.38Å; M679-F696 HydrophobicContact CB-CE1 4.25Å; M679-F696 HydrophobicContact CB-CZ 4.25Å; M679-F696 HydrophobicContact CG-CE1 4.31Å; M679-F696 HydrophobicContact CG-CE2 4.07Å; M679-F696 HydrophobicContact CG-CZ 3.83Å; M679-F696 PolarHBondContact O-N 3.34Å; M679-L698 HydrophobicContact CE-CD1 4.44Å
680I93.8Very high86.8Confident3 Ų370.4 Ų70.42%0.01535%0.345CS..EExtended strand (participates in β ladder)trans-126.7135.1-170.7-52.7166.1000109.2W643 L664 L668 Y676 A677 W682 V692 F695W643-I680 HydrophobicContact CB-CD1 4.28Å; W643-I680 HydrophobicContact CD2-CD1 3.34Å; W643-I680 HydrophobicContact CD2-CG1 3.93Å; W643-I680 HydrophobicContact CE3-CD1 3.64Å; W643-I680 HydrophobicContact CG-CD1 3.65Å; W643-I680 HydrophobicContact CG-CG1 4.01Å; W643-I680 HydrophobicContact CH2-CD1 4.32Å; W643-I680 HydrophobicContact CZ2-CD1 4.1Å; W643-I680 HydrophobicContact CZ2-CG1 4.25Å; W643-I680 HydrophobicContact CZ2-CG2 4.49Å; W643-I680 HydrophobicContact CZ3-CD1 4.12Å; L664-I680 HydrophobicContact CD1-CD1 4.26Å; L664-I680 HydrophobicContact CD2-CG2 4.45Å; L668-I680 HydrophobicContact CD2-CD1 4.16Å; Y676-I680 WeakPolarHBondContact O-CG1 3.38Å; A677-I680 PolarHBondContact O-N 2.99Å; I680-W682 HydrophobicContact CG2-CB 4.23Å; I680-W682 HydrophobicContact CG2-CG 4.46Å; I680-V692 HydrophobicContact CG2-CG1 3.9Å; I680-F695 HydrophobicContact CG1-CB 4.29Å
681R93.8Very high86.8Confident35 Ų3569.9 Ų69.913%0.13234%0.343CS..EExtended strand (participates in β ladder)trans-114.7112.5170-59.6-62.8170.3-111.81.1108F78 W79 W81 N678 D693 R694F78-R681 HydrophobicContact CD2-CG 3.98Å; F78-R681 HydrophobicContact CE1-CG 4.31Å; F78-R681 VanDerWaalsContact CE1-CZ 3.41Å; F78-R681 HydrophobicContact CE2-CB 4.42Å; F78-R681 HydrophobicContact CE2-CG 3.5Å; F78-R681 VanDerWaalsContact CE2-CG 3.5Å; F78-R681 HydrophobicContact CZ-CG 3.67Å; F78-R681 PolarHBondContact O-NE 2.91Å; W79-R681 VanDerWaalsContact CZ3-NH2 3.26Å; W81-R681 HydrophobicContact CB-CG 4.25Å; W81-R681 HydrophobicContact CD2-CB 3.72Å; W81-R681 HydrophobicContact CD2-CG 4.1Å; W81-R681 HydrophobicContact CE3-CB 3.7Å; W81-R681 HydrophobicContact CE3-CG 4.03Å; W81-R681 HydrophobicContact CG-CB 4.21Å; W81-R681 HydrophobicContact CG-CG 4.22Å; W81-R681 HydrophobicContact CH2-CB 4.25Å; W81-R681 HydrophobicContact CZ2-CB 4.3Å; W81-R681 HydrophobicContact CZ3-CB 3.96Å; N678-R681 PolarHBondContact O-NH1 3.24Å; N678-R681 PolarHBondContact O-NH2 2.72Å; R681-D693 PolarHBondContact O-N 2.76Å; R681-R694 HydrophobicContact CB-CG 3.75Å; R681-R694 HydrophobicContact CG-CG 3.99Å; R681-R694 PolarHBondContact N-O 2.7Å; R681-R694 PolarHBondContact O-N 2.8Å
682W92.5Very high87.2Confident67 Ų6763.6 Ų63.625%0.25432%0.32SS..EExtended strand (participates in β ladder)trans-141.6157.7-172.770.5-84.5000110.5W81 L664 E665 L668 I680 V690 V691 V692W81-W682 WeakPolarHBondContact CH2-O 3.45Å; L664-W682 HydrophobicContact CD2-CB 3.87Å; L664-W682 HydrophobicContact CD2-CD2 4.06Å; L664-W682 HydrophobicContact CD2-CG 3.76Å; E665-W682 HydrophobicContact CB-CH2 3.91Å; E665-W682 HydrophobicContact CB-CZ2 4.49Å; E665-W682 HydrophobicContact CG-CH2 3.9Å; E665-W682 HydrophobicContact CG-CZ2 4.45Å; L668-W682 HydrophobicContact CD1-CZ2 4.41Å; L668-W682 VanDerWaalsContact CD1-NE1 3.33Å; I680-W682 HydrophobicContact CG2-CB 4.23Å; I680-W682 HydrophobicContact CG2-CG 4.46Å; W682-V690 HydrophobicContact CE3-CG1 3.81Å; W682-V690 HydrophobicContact CZ3-CG1 4.24Å; W682-V691 CarbonylContact C-O 3.59Å; W682-V691 VanDerWaalsContact CA-O 3.22Å; W682-V691 WeakPolarHBondContact CA-O 3.2Å; W682-V691 WeakPolarHBondContact CB-O 3.43Å; W682-V692 HydrophobicContact CB-CG2 4.42Å
683Y91.1Very high87.5Confident55 Ų5560.9 Ų60.922%0.21631%0.312CS..EExtended strand (participates in β ladder)trans-148.5164.2176.862.7-83000110.4W81 P84 D685 V691 D693W81-Y683 HydrophobicContact CH2-CD1 4.05Å; W81-Y683 AromaticContact CZ2-CD1 3.84Å; W81-Y683 HydrophobicContact CZ2-CD1 3.84Å; W81-Y683 HydrophobicContact CZ2-CE1 4.45Å; P84-Y683 HydrophobicContact CG-CD1 4.12Å; P84-Y683 HydrophobicContact CG-CD2 4.22Å; P84-Y683 HydrophobicContact CG-CE1 3.84Å; P84-Y683 HydrophobicContact CG-CE2 3.95Å; P84-Y683 HydrophobicContact CG-CG 4.3Å; Y683-D685 HydrophobicContact CE2-CB 4.4Å; Y683-V691 HydrophobicContact CD1-CB 4.46Å; Y683-V691 HydrophobicContact CE1-CB 4.05Å; Y683-V691 HydrophobicContact CE1-CG1 3.89Å; Y683-V691 HydrophobicContact CE2-CB 4.14Å; Y683-V691 HydrophobicContact CE2-CG2 4.43Å; Y683-V691 PolarHBondContact N-O 3.26Å; Y683-V691 PolarHBondContact O-N 3.19Å; Y683-D693 HydrophobicContact CD1-CB 4.46Å; Y683-D693 HydrophobicContact CE1-CB 4.13Å
684S87.9Confident87.8Confident64 Ų6462.8 Ų62.845%0.44832%0.319SS..EExtended strand (participates in β ladder)trans-97.9128.8168.1-162.30000108.5G688 K689S684-G688 VanDerWaalsContact OG-C 3.24Å; S684-G688 WeakPolarHBondContact OG-CA 3.35Å; S684-G688 PolarHBondContact OG-O 2.98Å; S684-K689 WeakPolarHBondContact CA-O 3.28Å
685D84.5Confident88.4Confident47 Ų4756.4 Ų56.425%0.25129%0.292SS..  trans-73.6177.517773.79.7000112Y683 H687 G688 K689 V691Y683-D685 HydrophobicContact CE2-CB 4.4Å; D685-H687 PolarHBondContact O-N 3.45Å; D685-H687 WeakPolarHBondContact OD1-CA 3.26Å; D685-H687 WeakPolarHBondContact OD1-CB 3.46Å; D685-H687 PolarHBondContact OD1-N 3.35Å; D685-G688 PolarHBondContact O-N 2.98Å; D685-G688 PolarHBondContact OD1-N 3.29Å; D685-G688 VanDerWaalsContact OD1-N 3.16Å; D685-K689 PolarHBondContact N-O 3.4Å; D685-K689 WeakPolarHBondContact OD1-CB 3.31Å; D685-K689 PolarHBondContact OD1-N 3.48Å; D685-K689 WeakPolarHBondContact OD2-CB 3.3Å; D685-V691 HydrophobicContact CB-CG2 4.45Å
686E83Confident89.1Confident195 Ų19553.6 Ų53.691%0.91128%0.276SS*.THydrogen-bonded Turntrans-59.2-19.2179.5-60.8-178.117100113.7
687H82.2Confident89.3Confident168 Ų16853.1 Ų53.178%0.77827%0.274SS*.THydrogen-bonded Turntrans-97.37.5178.6-55.188.9000112.6D685 K689D685-H687 PolarHBondContact O-N 3.45Å; D685-H687 WeakPolarHBondContact OD1-CA 3.26Å; D685-H687 WeakPolarHBondContact OD1-CB 3.46Å; D685-H687 PolarHBondContact OD1-N 3.35Å; H687-K689 PolarHBondContact O-N 2.68Å
688G82.1Confident89.5Confident53 Ų5352.5 Ų52.555%0.54627%0.266SS..SBendtrans73.412.1-176.800000114.1S684 D685S684-G688 VanDerWaalsContact OG-C 3.24Å; S684-G688 WeakPolarHBondContact OG-CA 3.35Å; S684-G688 PolarHBondContact OG-O 2.98Å; D685-G688 PolarHBondContact O-N 2.98Å; D685-G688 PolarHBondContact OD1-N 3.29Å; D685-G688 VanDerWaalsContact OD1-N 3.16Å
689K85Confident89.9Confident90 Ų9048.1 Ų48.139%0.39124%0.242SC..  trans-82.8128.1177.3177.3-166.2174.7-170.40109.1K659 S684 D685 H687 V691K659-K689 HydrophobicContact CD-CD 4.37Å; K659-K689 HydrophobicContact CD-CG 4.28Å; S684-K689 WeakPolarHBondContact CA-O 3.28Å; D685-K689 PolarHBondContact N-O 3.4Å; D685-K689 WeakPolarHBondContact OD1-CB 3.31Å; D685-K689 PolarHBondContact OD1-N 3.48Å; D685-K689 WeakPolarHBondContact OD2-CB 3.3Å; H687-K689 PolarHBondContact O-N 2.68Å; K689-V691 PolarHBondContact O-N 3.13Å
690V88.6Confident89.8Confident13 Ų1347.2 Ų47.28%0.07924%0.238CC..EExtended strand (participates in β ladder)trans-70.3124.1174.3-178.90000110.2L664 W682L664-V690 HydrophobicContact CB-CG1 4.09Å; L664-V690 HydrophobicContact CD2-CG1 3.93Å; W682-V690 HydrophobicContact CE3-CG1 3.81Å; W682-V690 HydrophobicContact CZ3-CG1 4.24Å
691V89Confident89.5Confident35 Ų3547.1 Ų47.121%0.21224%0.237CC..EExtended strand (participates in β ladder)trans-120.3124.5177-179.30000109.1W682 Y683 D685 K689W682-V691 CarbonylContact C-O 3.59Å; W682-V691 VanDerWaalsContact CA-O 3.22Å; W682-V691 WeakPolarHBondContact CA-O 3.2Å; W682-V691 WeakPolarHBondContact CB-O 3.43Å; Y683-V691 HydrophobicContact CD1-CB 4.46Å; Y683-V691 HydrophobicContact CE1-CB 4.05Å; Y683-V691 HydrophobicContact CE1-CG1 3.89Å; Y683-V691 HydrophobicContact CE2-CB 4.14Å; Y683-V691 HydrophobicContact CE2-CG2 4.43Å; Y683-V691 PolarHBondContact N-O 3.26Å; Y683-V691 PolarHBondContact O-N 3.19Å; D685-V691 HydrophobicContact CB-CG2 4.45Å; K689-V691 PolarHBondContact O-N 3.13Å
692V92.9Very high88.9Confident10 Ų1047.9 Ų47.96%0.06125%0.248CC..EExtended strand (participates in β ladder)trans-88.1115.6167.6-173.70000107.3P611 W643 Y661 L664 I680 W682 F695P611-V692 HydrophobicContact CB-CB 4.33Å; P611-V692 HydrophobicContact CB-CG1 4.18Å; P611-V692 HydrophobicContact CG-CB 4.24Å; P611-V692 HydrophobicContact CG-CG1 3.81Å; P611-V692 WeakPolarHBondContact CG-O 3.25Å; W643-V692 HydrophobicContact CH2-CG2 4.45Å; Y661-V692 HydrophobicContact CD1-CG2 3.63Å; Y661-V692 HydrophobicContact CD2-CB 4.47Å; Y661-V692 HydrophobicContact CD2-CG2 3.95Å; Y661-V692 HydrophobicContact CE1-CG2 3.89Å; Y661-V692 HydrophobicContact CE2-CB 4.38Å; Y661-V692 HydrophobicContact CE2-CG2 4.2Å; Y661-V692 HydrophobicContact CG-CG2 3.66Å; L664-V692 HydrophobicContact CD2-CG2 3.61Å; I680-V692 HydrophobicContact CG2-CG1 3.9Å; W682-V692 HydrophobicContact CB-CG2 4.42Å; V692-F695 HydrophobicContact CG1-CD1 4.23Å
693D92Very high88.2Confident41 Ų4145 Ų4522%0.21924%0.237CC..EExtended strand (participates in β ladder)trans-78.8-50.3179.7-172.969.5000110.6W81 P611 R681 Y683W81-D693 HydrophobicContact CZ2-CB 3.79Å; W81-D693 PolarHBondContact NE1-OD2 3.47Å; P611-D693 WeakPolarHBondContact CD-O 3.48Å; R681-D693 PolarHBondContact O-N 2.76Å; Y683-D693 HydrophobicContact CD1-CB 4.46Å; Y683-D693 HydrophobicContact CE1-CB 4.13Å
694R94.7Very high87.3Confident71 Ų7148.8 Ų48.827%0.26826%0.262SS..EExtended strand (participates in β ladder)trans-158.4155.4-178.861.1-170.475.4-161-4.1110.8F78 V608 R681F78-R694 HydrophobicContact CD2-CG 3.82Å; F78-R694 HydrophobicContact CE2-CG 4.01Å; V608-R694 WeakPolarHBondContact O-CA 3.21Å; V608-R694 WeakPolarHBondContact O-CB 3.4Å; R681-R694 HydrophobicContact CB-CG 3.75Å; R681-R694 HydrophobicContact CG-CG 3.99Å; R681-R694 PolarHBondContact N-O 2.7Å; R681-R694 PolarHBondContact O-N 2.8Å
695F95.8Very high86.4Confident0 Ų046.5 Ų46.50%025%0.249CC..EExtended strand (participates in β ladder)trans-147.4167.7171.668.7-94000109.8V608 P611 F621 L642 W643 M679 I680 V692 F697V608-F695 HydrophobicContact CB-CD1 4.32Å; V608-F695 HydrophobicContact CB-CD2 4.35Å; V608-F695 HydrophobicContact CB-CE1 4.05Å; V608-F695 HydrophobicContact CB-CE2 4.09Å; V608-F695 HydrophobicContact CB-CG 4.46Å; V608-F695 HydrophobicContact CB-CZ 3.94Å; V608-F695 HydrophobicContact CG1-CD1 4.48Å; V608-F695 HydrophobicContact CG1-CE1 3.89Å; V608-F695 HydrophobicContact CG1-CZ 3.97Å; V608-F695 HydrophobicContact CG2-CD2 4.31Å; V608-F695 HydrophobicContact CG2-CE1 4.49Å; V608-F695 HydrophobicContact CG2-CE2 3.77Å; V608-F695 HydrophobicContact CG2-CZ 3.88Å; V608-F695 PolarHBondContact N-O 3.13Å; V608-F695 PolarHBondContact O-N 3.19Å; P611-F695 HydrophobicContact CB-CD1 4.07Å; P611-F695 HydrophobicContact CB-CE1 3.84Å; P611-F695 HydrophobicContact CG-CD1 3.9Å; P611-F695 HydrophobicContact CG-CE1 4.12Å; F621-F695 HydrophobicContact CE1-CZ 4.23Å; F621-F695 HydrophobicContact CE2-CE2 4.37Å; F621-F695 AromaticContact CE2-CZ 3.78Å; F621-F695 HydrophobicContact CE2-CZ 3.78Å; F621-F695 AromaticContact CZ-CE2 3.85Å; F621-F695 HydrophobicContact CZ-CE2 3.85Å; F621-F695 AromaticContact CZ-CZ 3.49Å; F621-F695 HydrophobicContact CZ-CZ 3.49Å; F621-F695 VanDerWaalsContact CZ-CZ 3.49Å; L642-F695 HydrophobicContact CD1-CE2 3.98Å; W643-F695 AromaticContact CD1-CD2 3.94Å; W643-F695 HydrophobicContact CZ2-CD1 4.04Å; W643-F695 HydrophobicContact CZ2-CE1 4.37Å; W643-F695 HydrophobicContact CZ2-CG 4.26Å; W643-F695 AromaticContact NE1-CD1 3.92Å; W643-F695 AromaticContact NE1-CD2 3.2Å; W643-F695 AromaticContact NE1-CE2 3.73Å; W643-F695 AromaticContact NE1-CG 3.3Å; W643-F695 VanDerWaalsContact NE1-CG 3.3Å; M679-F695 CarbonylContact O-C 3.55Å; M679-F695 WeakPolarHBondContact O-CA 3.26Å; M679-F695 WeakPolarHBondContact O-CB 3.38Å; I680-F695 HydrophobicContact CG1-CB 4.29Å; V692-F695 HydrophobicContact CG1-CD1 4.23Å; F695-F697 HydrophobicContact CE2-CD1 4.09Å
696F95Very high86Confident16 Ų1648.1 Ų48.17%0.0726%0.257CS..EExtended strand (participates in β ladder)trans-126.1161.5164.274.1-92.9000110.6F78 W79 S605 V606 H607 M679 L698F78-F696 AromaticContact CD1-CD1 3.86Å; F78-F696 HydrophobicContact CD1-CD1 3.86Å; F78-F696 HydrophobicContact CD1-CE1 4.01Å; F78-F696 HydrophobicContact CD2-CD1 4.44Å; F78-F696 AromaticContact CE1-CD1 3.38Å; F78-F696 HydrophobicContact CE1-CD1 3.38Å; F78-F696 AromaticContact CE1-CE1 3.37Å; F78-F696 HydrophobicContact CE1-CE1 3.37Å; F78-F696 HydrophobicContact CE2-CD1 4.01Å; F78-F696 HydrophobicContact CG-CD1 4.39Å; F78-F696 AromaticContact CZ-CD1 3.47Å; F78-F696 HydrophobicContact CZ-CD1 3.47Å; F78-F696 VanDerWaalsContact CZ-CD1 3.47Å; F78-F696 AromaticContact CZ-CE1 3.82Å; F78-F696 HydrophobicContact CZ-CE1 3.82Å; W79-F696 HydrophobicContact CH2-CE1 4.06Å; W79-F696 HydrophobicContact CH2-CZ 4.28Å; W79-F696 AromaticContact CZ2-CE1 3.87Å; W79-F696 HydrophobicContact CZ2-CE1 3.87Å; W79-F696 HydrophobicContact CZ2-CZ 4.11Å; S605-F696 WeakPolarHBondContact OG-CD2 3.45Å; V606-F696 CarbonylContact O-C 3.23Å; V606-F696 WeakPolarHBondContact O-CA 3.17Å; V606-F696 WeakPolarHBondContact O-CB 3.5Å; H607-F696 HydrophobicContact CB-CB 4.45Å; M679-F696 HydrophobicContact CB-CE1 4.25Å; M679-F696 HydrophobicContact CB-CZ 4.25Å; M679-F696 HydrophobicContact CG-CE1 4.31Å; M679-F696 HydrophobicContact CG-CE2 4.07Å; M679-F696 HydrophobicContact CG-CZ 3.83Å; M679-F696 PolarHBondContact O-N 3.34Å; F696-L698 HydrophobicContact CD2-CD2 4.2Å; F696-L698 HydrophobicContact CE2-CD2 3.98Å; F696-L698 HydrophobicContact CE2-CG 4.28Å
697F93.3Very high85.5Confident0 Ų039.7 Ų39.70%022%0.218CC..EExtended strand (participates in β ladder)trans-136.6155.6170.169.4-83.6000109.7V606 V608 F621 V625 L641 L642 F695 I699V606-F697 HydrophobicContact CB-CD1 3.92Å; V606-F697 HydrophobicContact CB-CD2 4.47Å; V606-F697 HydrophobicContact CB-CE1 3.58Å; V606-F697 HydrophobicContact CB-CE2 4.2Å; V606-F697 HydrophobicContact CB-CG 4.36Å; V606-F697 HydrophobicContact CB-CZ 3.72Å; V606-F697 HydrophobicContact CG1-CD1 4.18Å; V606-F697 HydrophobicContact CG1-CE1 3.41Å; V606-F697 VanDerWaalsContact CG1-CE1 3.41Å; V606-F697 HydrophobicContact CG1-CZ 3.64Å; V606-F697 HydrophobicContact CG2-CE1 4.46Å; V606-F697 HydrophobicContact CG2-CE2 4.28Å; V606-F697 HydrophobicContact CG2-CZ 4.11Å; V606-F697 PolarHBondContact N-O 3.17Å; V606-F697 PolarHBondContact O-N 2.78Å; V608-F697 HydrophobicContact CG2-CD1 4.16Å; V608-F697 HydrophobicContact CG2-CE1 4.01Å; F621-F697 HydrophobicContact CE2-CE1 4.46Å; F621-F697 HydrophobicContact CZ-CD1 4.44Å; F621-F697 HydrophobicContact CZ-CE1 4.12Å; V625-F697 HydrophobicContact CG1-CE2 4.49Å; V625-F697 HydrophobicContact CG2-CE1 4.46Å; V625-F697 HydrophobicContact CG2-CE2 4.3Å; V625-F697 HydrophobicContact CG2-CZ 3.9Å; L641-F697 WeakPolarHBondContact O-CB 3.48Å; L642-F697 HydrophobicContact CB-CB 4.31Å; L642-F697 HydrophobicContact CB-CD2 4.45Å; L642-F697 HydrophobicContact CD1-CB 3.84Å; L642-F697 HydrophobicContact CD1-CD1 4.18Å; L642-F697 HydrophobicContact CD1-CG 3.97Å; F695-F697 HydrophobicContact CE2-CD1 4.09Å; F697-I699 HydrophobicContact CD2-CD1 4.3Å; F697-I699 HydrophobicContact CD2-CG1 3.85Å; F697-I699 HydrophobicContact CE2-CD1 3.43Å; F697-I699 VanDerWaalsContact CE2-CD1 3.43Å; F697-I699 HydrophobicContact CE2-CG1 3.49Å; F697-I699 VanDerWaalsContact CE2-CG1 3.49Å; F697-I699 HydrophobicContact CZ-CD1 4.04Å; F697-I699 HydrophobicContact CZ-CG1 4.46Å
698L90.4Very high85.2Confident21 Ų2133.7 Ų33.711%0.1120%0.197CC..EExtended strand (participates in β ladder)trans-98142.1-178.2-60.2177000110.3F203 I604 S640 L641 M679 F696F203-L698 HydrophobicContact CD1-CD1 3.8Å; F203-L698 HydrophobicContact CE1-CD1 3.91Å; F203-L698 HydrophobicContact CG-CD1 4.22Å; F203-L698 HydrophobicContact CZ-CD1 4.38Å; I604-L698 CarbonylContact O-C 3.49Å; I604-L698 WeakPolarHBondContact O-CA 3.37Å; S640-L698 CarbonylContact C-O 3.58Å; S640-L698 WeakPolarHBondContact CA-O 3.45Å; L641-L698 HydrophobicContact CB-CB 4.38Å; L641-L698 PolarHBondContact N-O 3.18Å; L641-L698 PolarHBondContact O-N 2.94Å; M679-L698 HydrophobicContact CE-CD1 4.44Å; F696-L698 HydrophobicContact CD2-CD2 4.2Å; F696-L698 HydrophobicContact CE2-CD2 3.98Å; F696-L698 HydrophobicContact CE2-CG 4.28Å
699I90.4Very high85.1Confident1 Ų133.5 Ų33.51%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-125.2128.9169.1-49.6-174.8000108.6I604 V606 F628 F697 F701I604-I699 PolarHBondContact N-O 3.29Å; I604-I699 PolarHBondContact O-N 3.46Å; V606-I699 HydrophobicContact CG2-CD1 3.72Å; V606-I699 HydrophobicContact CG2-CG1 3.91Å; F628-I699 HydrophobicContact CB-CD1 3.29Å; F628-I699 HydrophobicContact CD1-CD1 3.98Å; F628-I699 HydrophobicContact CD2-CD1 4.09Å; F628-I699 HydrophobicContact CG-CD1 3.55Å; F697-I699 HydrophobicContact CD2-CD1 4.3Å; F697-I699 HydrophobicContact CD2-CG1 3.85Å; F697-I699 HydrophobicContact CE2-CD1 3.43Å; F697-I699 VanDerWaalsContact CE2-CD1 3.43Å; F697-I699 HydrophobicContact CE2-CG1 3.49Å; F697-I699 VanDerWaalsContact CE2-CG1 3.49Å; F697-I699 HydrophobicContact CZ-CD1 4.04Å; F697-I699 HydrophobicContact CZ-CG1 4.46Å; I699-F701 HydrophobicContact CB-CE2 3.93Å; I699-F701 HydrophobicContact CB-CZ 4.42Å; I699-F701 HydrophobicContact CG2-CD2 4.28Å; I699-F701 HydrophobicContact CG2-CE1 4.43Å; I699-F701 HydrophobicContact CG2-CE2 3.53Å; I699-F701 HydrophobicContact CG2-CZ 3.64Å
700Y87.8Confident84.8Confident6 Ų629.4 Ų29.42%0.02417%0.165CC..EExtended strand (participates in β ladder)trans-98.7133.5-179.8179.5-95000111.8F192 P193 S601 S639F192-Y700 AromaticContact CE1-CE1 3.99Å; F192-Y700 HydrophobicContact CE1-CE1 3.99Å; F192-Y700 AromaticContact CE1-CE2 3.87Å; F192-Y700 HydrophobicContact CE1-CE2 3.87Å; F192-Y700 AromaticContact CE1-CZ 3.47Å; F192-Y700 VanDerWaalsContact CE1-CZ 3.47Å; F192-Y700 WeakPolarHBondContact CE1-OH 3.41Å; F192-Y700 AromaticContact CZ-CE2 3.91Å; F192-Y700 HydrophobicContact CZ-CE2 3.91Å; F192-Y700 AromaticContact CZ-CZ 3.96Å; P193-Y700 HydrophobicContact CB-CD1 4.19Å; P193-Y700 HydrophobicContact CB-CD2 3.82Å; P193-Y700 HydrophobicContact CB-CE2 4.25Å; P193-Y700 HydrophobicContact CB-CG 3.8Å; P193-Y700 HydrophobicContact CG-CD1 3.86Å; P193-Y700 HydrophobicContact CG-CD2 4.14Å; P193-Y700 HydrophobicContact CG-CG 3.59Å; S601-Y700 WeakPolarHBondContact CB-OH 3.4Å; S601-Y700 PolarHBondContact OG-OH 3.29Å; S639-Y700 WeakPolarHBondContact CB-O 3.2Å; S639-Y700 WeakPolarHBondContact O-CB 3.28Å; S639-Y700 PolarHBondContact O-N 3.33Å
701F87Confident84.4Confident1 Ų129.4 Ų29.40%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-123.4135175.3-64-86000110.6M602 I604 M631 F633 I699 L713 V717M602-F701 PolarHBondContact N-O 3.44Å; M602-F701 PolarHBondContact O-N 3.28Å; I604-F701 HydrophobicContact CB-CE2 4.37Å; I604-F701 HydrophobicContact CD1-CD2 3.76Å; I604-F701 HydrophobicContact CD1-CE2 3.64Å; I604-F701 HydrophobicContact CG1-CD2 4.03Å; I604-F701 HydrophobicContact CG1-CE2 4.12Å; M631-F701 HydrophobicContact CB-CE1 3.98Å; M631-F701 HydrophobicContact SD-CE1 4.49Å; M631-F701 HydrophobicContact SD-CZ 4.35Å; F633-F701 HydrophobicContact CB-CB 4.35Å; F633-F701 HydrophobicContact CB-CD1 4.29Å; F633-F701 WeakPolarHBondContact O-CA 3.3Å; I699-F701 HydrophobicContact CB-CE2 3.93Å; I699-F701 HydrophobicContact CB-CZ 4.42Å; I699-F701 HydrophobicContact CG2-CD2 4.28Å; I699-F701 HydrophobicContact CG2-CE1 4.43Å; I699-F701 HydrophobicContact CG2-CE2 3.53Å; I699-F701 HydrophobicContact CG2-CZ 3.64Å; F701-L713 HydrophobicContact CB-CD2 3.58Å; F701-L713 HydrophobicContact CD1-CD1 3.65Å; F701-L713 HydrophobicContact CD1-CD2 3.99Å; F701-L713 HydrophobicContact CD1-CG 4.44Å; F701-L713 HydrophobicContact CD2-CD2 4.35Å; F701-L713 HydrophobicContact CE1-CD1 3.75Å; F701-L713 HydrophobicContact CG-CD1 4.11Å; F701-L713 HydrophobicContact CG-CD2 3.72Å; F701-L713 HydrophobicContact CG-CG 4.45Å; F701-L713 HydrophobicContact CZ-CD1 4.28Å; F701-V717 HydrophobicContact CE2-CG2 4.23Å; F701-V717 HydrophobicContact CZ-CG2 3.96Å
702S81Confident84.2Confident52 Ų5231 Ų3136%0.36417%0.173SC..EExtended strand (participates in β ladder)trans-108.8107.6176.4-160.70000110S600 F633S600-S702 CarbonylContact O-C 3.55Å; F633-S702 WeakPolarHBondContact CB-O 3.27Å; F633-S702 WeakPolarHBondContact CD1-O 3.36Å; F633-S702 PolarHBondContact O-N 3Å
703T79.1Confident83.9Confident5 Ų530.8 Ų30.83%0.03117%0.171CC..  trans-107.2173.8177.585.20000110.7R599 S600 F633 G705 V710 L713R599-T703 PolarHBondContact O-OG1 2.95Å; S600-T703 WeakPolarHBondContact CA-O 3.49Å; S600-T703 PolarHBondContact O-N 3.04Å; F633-T703 HydrophobicContact CB-CG2 4.39Å; F633-T703 HydrophobicContact CD2-CG2 4.45Å; F633-T703 HydrophobicContact CG-CG2 4.23Å; T703-G705 VanDerWaalsContact C-N 3.26Å; T703-G705 PolarHBondContact OG1-N 3.28Å; T703-V710 HydrophobicContact CG2-CG2 4.14Å; T703-L713 HydrophobicContact CG2-CD2 3.91Å
704N72Confident83.7Confident135 Ų13528.9 Ų28.972%0.72216%0.161SC*.  trans-86.36.9172.7-64.9-5.8000113D706N704-D706 VanDerWaalsContact C-N 3.25Å; N704-D706 PolarHBondContact O-N 3.19Å
705G69Low83.3Confident17 Ų1731.4 Ų31.418%0.17517%0.17CC..SBendtrans81.5-6.9-176.200000115.1T703 L707T703-G705 VanDerWaalsContact C-N 3.26Å; T703-G705 PolarHBondContact OG1-N 3.28Å; G705-L707 PolarHBondContact O-N 3.1Å
706D75.5Confident83.1Confident80 Ų8034.6 Ų34.643%0.42819%0.187SC..  trans-62.8120176.8-177.74.8000111.1N704 A708 Q709 V710N704-D706 VanDerWaalsContact C-N 3.25Å; N704-D706 PolarHBondContact O-N 3.19Å; D706-A708 PolarHBondContact O-N 2.97Å; D706-A708 PolarHBondContact OD1-N 3.17Å; D706-Q709 HydrophobicContact CB-CB 4.34Å; D706-Q709 HydrophobicContact CB-CG 4.04Å; D706-Q709 PolarHBondContact O-N 2.94Å; D706-Q709 PolarHBondContact OD2-NE2 3.07Å; D706-V710 WeakPolarHBondContact O-CG2 3.49Å; D706-V710 PolarHBondContact O-N 3.42Å
707L72.2Confident83Confident19 Ų1933.9 Ų33.910%0.09918%0.184CC..Hα-helixtrans-57.1-35.7-175.7-178.655.2000112G705 T711 W739 Y742G705-L707 PolarHBondContact O-N 3.1Å; L707-T711 VanDerWaalsContact O-CB 3.3Å; L707-T711 WeakPolarHBondContact O-CB 3.32Å; L707-T711 PolarHBondContact O-N 3.06Å; L707-T711 PolarHBondContact O-OG1 2.63Å; L707-W739 HydrophobicContact CD1-CE3 4.38Å; L707-Y742 HydrophobicContact CD2-CD2 3.43Å; L707-Y742 VanDerWaalsContact CD2-CD2 3.43Å; L707-Y742 HydrophobicContact CD2-CE2 3.41Å; L707-Y742 VanDerWaalsContact CD2-CE2 3.41Å; L707-Y742 HydrophobicContact CD2-CG 4.12Å; L707-Y742 HydrophobicContact CG-CD2 4.1Å; L707-Y742 HydrophobicContact CG-CE1 4.49Å; L707-Y742 HydrophobicContact CG-CE2 4.02Å; L707-Y742 HydrophobicContact CG-CG 4.36Å
708A75.8Confident82.9Confident41 Ų4134.6 Ų34.634%0.33919%0.187SC..Hα-helixtrans-64.4-42.6177.200000111.8D706 T711 D712D706-A708 PolarHBondContact O-N 2.97Å; D706-A708 PolarHBondContact OD1-N 3.17Å; A708-T711 WeakPolarHBondContact O-CB 3.25Å; A708-T711 PolarHBondContact O-N 2.81Å; A708-D712 PolarHBondContact O-N 3.44Å
709Q80.7Confident82.9Confident50 Ų5038.7 Ų38.723%0.23421%0.208CC..Hα-helixtrans-68.6-40.4179.6-64-179.826.300112.2F633 D706 T711 D712 L713F633-Q709 HydrophobicContact CE2-CB 4.42Å; F633-Q709 HydrophobicContact CZ-CB 4.01Å; F633-Q709 HydrophobicContact CZ-CG 4.34Å; D706-Q709 HydrophobicContact CB-CB 4.34Å; D706-Q709 HydrophobicContact CB-CG 4.04Å; D706-Q709 PolarHBondContact O-N 2.94Å; D706-Q709 PolarHBondContact OD2-NE2 3.07Å; Q709-T711 VanDerWaalsContact C-N 3.29Å; Q709-D712 PolarHBondContact O-N 3.18Å; Q709-L713 WeakPolarHBondContact O-CB 3.4Å; Q709-L713 PolarHBondContact O-N 2.76Å
710V79.4Confident83Confident3 Ų339.5 Ų39.52%0.01821%0.213CC..Hα-helixtrans-64.5-38.5175.6177.20000110.5M602 T703 D706 L713 M714M602-V710 HydrophobicContact CE-CG1 4.34Å; M602-V710 HydrophobicContact SD-CG1 4.3Å; T703-V710 HydrophobicContact CG2-CG2 4.14Å; D706-V710 WeakPolarHBondContact O-CG2 3.49Å; D706-V710 PolarHBondContact O-N 3.42Å; V710-L713 PolarHBondContact O-N 3.19Å; V710-M714 PolarHBondContact O-N 3.35Å
711T79.6Confident83.1Confident13 Ų1339.4 Ų39.48%0.0821%0.213CC..Hα-helixtrans-63.8-48.3176.4-590000111.5L707 A708 Q709 L713 M714 R715 Y742 I743L707-T711 VanDerWaalsContact O-CB 3.3Å; L707-T711 WeakPolarHBondContact O-CB 3.32Å; L707-T711 PolarHBondContact O-N 3.06Å; L707-T711 PolarHBondContact O-OG1 2.63Å; A708-T711 WeakPolarHBondContact O-CB 3.25Å; A708-T711 PolarHBondContact O-N 2.81Å; Q709-T711 VanDerWaalsContact C-N 3.29Å; T711-L713 VanDerWaalsContact C-N 3.32Å; T711-L713 PolarHBondContact O-N 3.04Å; T711-M714 PolarHBondContact O-N 3.24Å; T711-R715 PolarHBondContact O-N 3.03Å; T711-Y742 HydrophobicContact CG2-CD1 4.13Å; T711-Y742 HydrophobicContact CG2-CE1 4.5Å; T711-I743 HydrophobicContact CG2-CD1 3.59Å; T711-I743 HydrophobicContact CG2-CG1 3.34Å
712D84Confident83.2Confident70 Ų7045.4 Ų45.437%0.37424%0.236SC..Hα-helixtrans-60-43.5175.8-79.6-34000111.4A708 Q709 M714 R715 D716A708-D712 PolarHBondContact O-N 3.44Å; Q709-D712 PolarHBondContact O-N 3.18Å; D712-M714 PolarHBondContact O-N 3.01Å; D712-R715 PolarHBondContact O-N 3.29Å; D712-R715 IonicContact OD1-CZ 2.84Å; D712-R715 VanDerWaalsContact OD1-CZ 3.32Å; D712-R715 IonicContact OD1-NH1 2.99Å; D712-R715 PolarHBondContact OD1-NH1 2.81Å; D712-R715 IonicContact OD1-NH2 3.65Å; D712-R715 PolarHBondContact OD1-NH2 2.81Å; D712-D716 WeakPolarHBondContact O-CB 3.36Å; D712-D716 PolarHBondContact O-N 2.93Å
713L87.6Confident83.6Confident5 Ų549.7 Ų49.73%0.02625%0.248CC..Hα-helixtrans-59.2-48.8176.6173.161000111.7M602 M631 F633 F701 T703 Q709 V710 T711 R715 D716 V717M602-L713 HydrophobicContact CE-CD2 3.32Å; M602-L713 HydrophobicContact CE-CG 3.83Å; M631-L713 HydrophobicContact CE-CD1 4.34Å; F633-L713 HydrophobicContact CD2-CB 4.34Å; F633-L713 HydrophobicContact CD2-CD1 4.39Å; F633-L713 HydrophobicContact CD2-CD2 4.22Å; F701-L713 HydrophobicContact CB-CD2 3.58Å; F701-L713 HydrophobicContact CD1-CD1 3.65Å; F701-L713 HydrophobicContact CD1-CD2 3.99Å; F701-L713 HydrophobicContact CD1-CG 4.44Å; F701-L713 HydrophobicContact CD2-CD2 4.35Å; F701-L713 HydrophobicContact CE1-CD1 3.75Å; F701-L713 HydrophobicContact CG-CD1 4.11Å; F701-L713 HydrophobicContact CG-CD2 3.72Å; F701-L713 HydrophobicContact CG-CG 4.45Å; F701-L713 HydrophobicContact CZ-CD1 4.28Å; T703-L713 HydrophobicContact CG2-CD2 3.91Å; Q709-L713 WeakPolarHBondContact O-CB 3.4Å; Q709-L713 PolarHBondContact O-N 2.76Å; V710-L713 PolarHBondContact O-N 3.19Å; T711-L713 VanDerWaalsContact C-N 3.32Å; T711-L713 PolarHBondContact O-N 3.04Å; L713-R715 VanDerWaalsContact C-N 3.34Å; L713-R715 PolarHBondContact O-N 2.92Å; L713-D716 PolarHBondContact O-N 2.91Å; L713-V717 HydrophobicContact CD1-CG2 3.72Å; L713-V717 HydrophobicContact CG-CG2 4.28Å; L713-V717 WeakPolarHBondContact O-CB 3.48Å; L713-V717 WeakPolarHBondContact O-CG2 3.27Å; L713-V717 PolarHBondContact O-N 2.95Å
714M87.2Confident84Confident1 Ų151 Ų511%0.00525%0.253CS..Hα-helixtrans-64.8-36.9179.4-79.4-58.4-67.100112.7M602 I604 V710 T711 D712 R718 I731 Q733M602-M714 HydrophobicContact CE-CG 3.96Å; M602-M714 HydrophobicContact CE-SD 3.79Å; M602-M714 HydrophobicContact SD-CG 4.08Å; M602-M714 HydrophobicContact SD-SD 3.8Å; I604-M714 HydrophobicContact CD1-SD 3.59Å; I604-M714 VanDerWaalsContact CD1-SD 3.59Å; I604-M714 HydrophobicContact CG1-SD 4.32Å; V710-M714 PolarHBondContact O-N 3.35Å; T711-M714 PolarHBondContact O-N 3.24Å; D712-M714 PolarHBondContact O-N 3.01Å; M714-R718 WeakPolarHBondContact O-CG 3.48Å; M714-R718 PolarHBondContact O-N 3.19Å; M714-I731 HydrophobicContact CE-CG2 4.31Å; M714-Q733 HydrophobicContact CE-CB 4.01Å; M714-Q733 HydrophobicContact SD-CB 4.44Å
715R87.7Confident84.6Confident123 Ų12350.4 Ų50.446%0.46425%0.251SS..Hα-helixtrans-60.1-50.3172.1-177-172.466.1-145.9-14.3110.7T711 D712 L713 V717 R718 L719T711-R715 PolarHBondContact O-N 3.03Å; D712-R715 PolarHBondContact O-N 3.29Å; D712-R715 IonicContact OD1-CZ 2.84Å; D712-R715 VanDerWaalsContact OD1-CZ 3.32Å; D712-R715 IonicContact OD1-NH1 2.99Å; D712-R715 PolarHBondContact OD1-NH1 2.81Å; D712-R715 IonicContact OD1-NH2 3.65Å; D712-R715 PolarHBondContact OD1-NH2 2.81Å; L713-R715 VanDerWaalsContact C-N 3.34Å; L713-R715 PolarHBondContact O-N 2.92Å; R715-V717 PolarHBondContact O-N 2.93Å; R715-R718 PolarHBondContact O-N 2.95Å; R715-L719 HydrophobicContact CG-CD1 4.1Å; R715-L719 HydrophobicContact CG-CG 4.48Å; R715-L719 WeakPolarHBondContact O-CG 3.44Å; R715-L719 PolarHBondContact O-N 2.83Å
716D91.4Very high85.5Confident67 Ų6754.2 Ų54.236%0.35827%0.267SS..Hα-helixtrans-67.4-37.2-175-64.9-7.3000111.6M631 D712 L713 R718 L719 L720M631-D716 HydrophobicContact CE-CB 3.63Å; D712-D716 WeakPolarHBondContact O-CB 3.36Å; D712-D716 PolarHBondContact O-N 2.93Å; L713-D716 PolarHBondContact O-N 2.91Å; D716-R718 PolarHBondContact O-N 3.49Å; D716-L719 PolarHBondContact O-N 2.95Å; D716-L720 WeakPolarHBondContact O-CB 3.35Å; D716-L720 PolarHBondContact O-N 3.05Å
717V91.8Very high86.4Confident1 Ų150.5 Ų50.51%0.00625%0.247CC..Hα-helixtrans-64.6-40.9177.6170.50000110.5I604 F628 M631 F701 L713 R715 L720 S721 I731I604-V717 HydrophobicContact CD1-CB 4.35Å; I604-V717 HydrophobicContact CD1-CG1 3.94Å; I604-V717 HydrophobicContact CD1-CG2 3.96Å; I604-V717 HydrophobicContact CG2-CG1 4.35Å; F628-V717 HydrophobicContact CD1-CG1 4.41Å; F628-V717 HydrophobicContact CE1-CG1 3.9Å; M631-V717 HydrophobicContact CE-CB 4.33Å; M631-V717 HydrophobicContact CE-CG2 3.58Å; M631-V717 HydrophobicContact SD-CG2 3.76Å; F701-V717 HydrophobicContact CE2-CG2 4.23Å; F701-V717 HydrophobicContact CZ-CG2 3.96Å; L713-V717 HydrophobicContact CD1-CG2 3.72Å; L713-V717 HydrophobicContact CG-CG2 4.28Å; L713-V717 WeakPolarHBondContact O-CB 3.48Å; L713-V717 WeakPolarHBondContact O-CG2 3.27Å; L713-V717 PolarHBondContact O-N 2.95Å; R715-V717 PolarHBondContact O-N 2.93Å; V717-L720 PolarHBondContact O-N 2.91Å; V717-S721 PolarHBondContact O-N 3.1Å; V717-I731 HydrophobicContact CG1-CB 4.44Å; V717-I731 HydrophobicContact CG1-CD1 3.73Å; V717-I731 HydrophobicContact CG1-CG1 3.88Å; V717-I731 HydrophobicContact CG1-CG2 3.75Å
718R91.2Very high87.4Confident16 Ų1654.3 Ų54.36%0.0627%0.267CS..Hα-helixtrans-68.6-43.2174.9-74.1170.4170.1165-12.9112.7E71 M714 R715 D716 L720 S721 Y722 S736 D740E71-R718 IonicContact OE1-CZ 3.97Å; E71-R718 IonicContact OE1-NE 3.32Å; E71-R718 PolarHBondContact OE1-NE 3.37Å; E71-R718 IonicContact OE1-NH2 2.86Å; E71-R718 PolarHBondContact OE1-NH2 3.5Å; E71-R718 IonicContact OE2-CZ 3.62Å; E71-R718 IonicContact OE2-NE 3.59Å; E71-R718 IonicContact OE2-NH2 3.66Å; E71-R718 PolarHBondContact OE2-NH2 2.68Å; M714-R718 WeakPolarHBondContact O-CG 3.48Å; M714-R718 PolarHBondContact O-N 3.19Å; R715-R718 PolarHBondContact O-N 2.95Å; D716-R718 PolarHBondContact O-N 3.49Å; R718-L720 PolarHBondContact O-N 2.82Å; R718-S721 PolarHBondContact O-N 3.45Å; R718-S721 VanDerWaalsContact O-N 3.13Å; R718-S721 PolarHBondContact O-OG 2.85Å; R718-Y722 HydrophobicContact CB-CE2 4.16Å; R718-Y722 WeakPolarHBondContact O-CD2 3.37Å; R718-Y722 PolarHBondContact O-N 2.8Å; R718-Y722 VanDerWaalsContact O-N 3.08Å; R718-S736 PolarHBondContact NH2-OG 3.3Å; R718-D740 IonicContact CZ-OD1 3.05Å; R718-D740 VanDerWaalsContact CZ-OD1 3.26Å; R718-D740 IonicContact NH1-OD1 2.82Å; R718-D740 PolarHBondContact NH1-OD1 3.26Å; R718-D740 IonicContact NH2-OD1 2.7Å; R718-D740 PolarHBondContact NH2-OD1 3.02Å; R718-D740 IonicContact NH2-OD2 2.63Å; R718-D740 PolarHBondContact NH2-OD2 2.7Å; R718-D740 VanDerWaalsContact NH2-OD2 3.13Å
719L91.2Very high88.3Confident106 Ų10652.9 Ų52.956%0.55525%0.254SS*.Hα-helixtrans-58.8-37.4175.2-72.7175.7000111.4R715 D716 K723R715-L719 HydrophobicContact CG-CD1 4.1Å; R715-L719 HydrophobicContact CG-CG 4.48Å; R715-L719 WeakPolarHBondContact O-CG 3.44Å; R715-L719 PolarHBondContact O-N 2.83Å; D716-L719 PolarHBondContact O-N 2.95Å; L719-K723 PolarHBondContact O-N 3.16Å
720L91.7Very high88.9Confident19 Ų1951 Ų5110%0.09925%0.247CC..Hα-helixtrans-67.8-40.9175-174.758000112.4Q627 F628 M631 D716 V717 R718 Y722 K723 F724Q627-L720 HydrophobicContact CB-CD1 3.94Å; Q627-L720 HydrophobicContact CB-CD2 3.89Å; Q627-L720 VanDerWaalsContact OE1-CD1 3.32Å; F628-L720 HydrophobicContact CB-CD2 4.35Å; F628-L720 HydrophobicContact CD1-CD2 3.49Å; F628-L720 VanDerWaalsContact CD1-CD2 3.49Å; F628-L720 HydrophobicContact CD1-CG 4.27Å; F628-L720 HydrophobicContact CD2-CD2 4.11Å; F628-L720 HydrophobicContact CE1-CB 4.07Å; F628-L720 HydrophobicContact CE1-CD2 3.67Å; F628-L720 HydrophobicContact CE1-CG 3.93Å; F628-L720 HydrophobicContact CE2-CD2 4.28Å; F628-L720 HydrophobicContact CE2-CG 4.33Å; F628-L720 HydrophobicContact CG-CD2 3.7Å; F628-L720 HydrophobicContact CZ-CB 4.34Å; F628-L720 HydrophobicContact CZ-CD2 4.07Å; F628-L720 HydrophobicContact CZ-CG 3.97Å; M631-L720 HydrophobicContact CG-CD2 4.23Å; M631-L720 HydrophobicContact SD-CD2 3.74Å; D716-L720 WeakPolarHBondContact O-CB 3.35Å; D716-L720 PolarHBondContact O-N 3.05Å; V717-L720 PolarHBondContact O-N 2.91Å; R718-L720 PolarHBondContact O-N 2.82Å; L720-Y722 VanDerWaalsContact C-N 3.34Å; L720-Y722 PolarHBondContact O-N 3.4Å; L720-K723 WeakPolarHBondContact O-CB 3.37Å; L720-K723 PolarHBondContact O-N 2.94Å; L720-F724 HydrophobicContact CD1-CD2 4.26Å; L720-F724 HydrophobicContact CD1-CE2 3.77Å; L720-F724 WeakPolarHBondContact O-CD2 3.26Å
721S90.7Very high89.5Confident4 Ų451 Ų513%0.02825%0.246CC..Hα-helixtrans-62.7-39.5177.666.60000112.4V717 R718 K723 F724V717-S721 PolarHBondContact O-N 3.1Å; R718-S721 PolarHBondContact O-N 3.45Å; R718-S721 VanDerWaalsContact O-N 3.13Å; R718-S721 PolarHBondContact O-OG 2.85Å; S721-K723 PolarHBondContact O-N 3.46Å; S721-F724 PolarHBondContact O-N 3.4Å
722Y88.8Confident90Very high126 Ų12652.2 Ų52.249%0.49425%0.251SS..Hα-helixtrans-67.1-20.4176.8-64.5-52.9000114.1R718 L720 F724 N725R718-Y722 HydrophobicContact CB-CE2 4.16Å; R718-Y722 WeakPolarHBondContact O-CD2 3.37Å; R718-Y722 PolarHBondContact O-N 2.8Å; R718-Y722 VanDerWaalsContact O-N 3.08Å; L720-Y722 VanDerWaalsContact C-N 3.34Å; L720-Y722 PolarHBondContact O-N 3.4Å; Y722-F724 VanDerWaalsContact C-N 3.28Å; Y722-F724 PolarHBondContact O-N 2.94Å; Y722-N725 PolarHBondContact O-ND2 3.18Å; Y722-N725 PolarHBondContact O-OD1 3.05Å
723K89.3Confident90.1Very high142 Ų14249.8 Ų49.862%0.61724%0.237SC*.Hα-helixtrans-71.8-25.8177.3-169.8178.2175.4-1740112.3L719 L720 S721L719-K723 PolarHBondContact O-N 3.16Å; L720-K723 WeakPolarHBondContact O-CB 3.37Å; L720-K723 PolarHBondContact O-N 2.94Å; S721-K723 PolarHBondContact O-N 3.46Å
724F87.4Confident89.6Confident32 Ų3254 Ų5414%0.1426%0.257CS..THydrogen-bonded Turntrans-108.254.3-175.2-69.5-83.1000112.3M624 L720 S721 Y722 N726 F727M624-F724 HydrophobicContact CB-CD1 3.75Å; M624-F724 HydrophobicContact CB-CD2 3.89Å; M624-F724 HydrophobicContact CB-CE1 3.67Å; M624-F724 HydrophobicContact CB-CE2 3.81Å; M624-F724 HydrophobicContact CB-CG 3.84Å; M624-F724 HydrophobicContact CB-CZ 3.69Å; M624-F724 HydrophobicContact CG-CB 4.14Å; M624-F724 HydrophobicContact CG-CD1 4.1Å; M624-F724 HydrophobicContact CG-CD2 3.47Å; M624-F724 VanDerWaalsContact CG-CD2 3.47Å; M624-F724 HydrophobicContact CG-CE1 4.34Å; M624-F724 HydrophobicContact CG-CE2 3.75Å; M624-F724 HydrophobicContact CG-CG 3.64Å; M624-F724 HydrophobicContact CG-CZ 4.17Å; M624-F724 HydrophobicContact SD-CB 3.58Å; M624-F724 VanDerWaalsContact SD-CB 3.58Å; M624-F724 HydrophobicContact SD-CD1 4.36Å; M624-F724 HydrophobicContact SD-CD2 4.07Å; M624-F724 HydrophobicContact SD-CG 3.76Å; L720-F724 HydrophobicContact CD1-CD2 4.26Å; L720-F724 HydrophobicContact CD1-CE2 3.77Å; L720-F724 WeakPolarHBondContact O-CD2 3.26Å; S721-F724 PolarHBondContact O-N 3.4Å; Y722-F724 VanDerWaalsContact C-N 3.28Å; Y722-F724 PolarHBondContact O-N 2.94Å; F724-N726 PolarHBondContact O-N 3.48Å; F724-F727 HydrophobicContact CB-CD2 4.42Å; F724-F727 PolarHBondContact O-N 3.34Å
725N83.9Confident89.1Confident124 Ų12455 Ų5566%0.66326%0.261SS*.G310 helixtrans-56-24.4179.7-72-22.9000114Y722 F727 N728Y722-N725 PolarHBondContact O-ND2 3.18Å; Y722-N725 PolarHBondContact O-OD1 3.05Å; N725-F727 PolarHBondContact O-N 2.89Å; N725-F727 VanDerWaalsContact O-N 3.15Å; N725-N728 PolarHBondContact O-N 3.23Å
726N89.1Confident88.7Confident97 Ų9749.1 Ų49.152%0.51924%0.239SC..G310 helixtrans-59.4-25.6179.4-64.2-5.9000113.6K610 Q620 F724K610-N726 WeakPolarHBondContact CD-O 3.21Å; Q620-N726 PolarHBondContact OE1-ND2 2.97Å; F724-N726 PolarHBondContact O-N 3.48Å
727F93.4Very high88Confident1 Ų146.3 Ų46.30%0.00422%0.223CC..G310 helixtrans-106.91.1-178-59-60.9000113.8V608 G609 K610 P612 E617 Q620 F621 M624 F724 N725 V729V608-F727 HydrophobicContact CG1-CB 4.26Å; G609-F727 PolarHBondContact N-O 2.85Å; K610-F727 PolarHBondContact N-O 3.29Å; K610-F727 WeakPolarHBondContact O-CD1 3.49Å; P612-F727 HydrophobicContact CB-CE1 4.18Å; E617-F727 HydrophobicContact CB-CE1 4.17Å; E617-F727 HydrophobicContact CB-CZ 4.48Å; E617-F727 VanDerWaalsContact O-CZ 3.22Å; E617-F727 WeakPolarHBondContact O-CZ 3.37Å; Q620-F727 HydrophobicContact CB-CE2 4.12Å; Q620-F727 HydrophobicContact CB-CZ 3.89Å; F621-F727 HydrophobicContact CB-CE1 4.12Å; F621-F727 HydrophobicContact CB-CE2 4.06Å; F621-F727 HydrophobicContact CB-CZ 3.73Å; F621-F727 HydrophobicContact CD2-CD1 4.41Å; F621-F727 HydrophobicContact CD2-CD2 4.36Å; F621-F727 HydrophobicContact CD2-CE2 4.49Å; F621-F727 HydrophobicContact CD2-CG 4.34Å; M624-F727 HydrophobicContact CE-CD2 4.49Å; M624-F727 HydrophobicContact SD-CD2 4.08Å; F724-F727 HydrophobicContact CB-CD2 4.42Å; F724-F727 PolarHBondContact O-N 3.34Å; N725-F727 PolarHBondContact O-N 2.89Å; N725-F727 VanDerWaalsContact O-N 3.15Å; F727-V729 HydrophobicContact CB-CG2 3.75Å
728N93Very high87.3Confident99 Ų9946.6 Ų46.653%0.52923%0.225SC..  trans4664.8-174.6-17126.2000111.8G609 N725G609-N728 PolarHBondContact N-O 2.86Å; N725-N728 PolarHBondContact O-N 3.23Å
729V94.5Very high86.6Confident11 Ų1146.6 Ų46.67%0.06723%0.225CC..EExtended strand (participates in β ladder)trans-88.3125.7-172.8-175.20000110.7V606 H607 M624 F727 I731V606-V729 HydrophobicContact CG1-CG1 3.46Å; V606-V729 VanDerWaalsContact CG1-CG1 3.46Å; H607-V729 WeakPolarHBondContact O-CA 3.45Å; M624-V729 HydrophobicContact CE-CG2 4.1Å; M624-V729 HydrophobicContact SD-CG2 3.62Å; F727-V729 HydrophobicContact CB-CG2 3.75Å; V729-I731 HydrophobicContact CG1-CD1 4.4Å
730T93.5Very high86.1Confident12 Ų1242.2 Ų42.27%0.07420%0.202CC..EExtended strand (participates in β ladder)trans-120.9136.8174.2-50.60000109.8E71 V74 H607E71-T730 HydrophobicContact CB-CG2 4.29Å; E71-T730 HydrophobicContact CG-CG2 4.01Å; V74-T730 HydrophobicContact CB-CG2 4.03Å; V74-T730 HydrophobicContact CG1-CG2 4.22Å; V74-T730 HydrophobicContact CG2-CG2 4.04Å; H607-T730 PolarHBondContact N-O 3.04Å; H607-T730 PolarHBondContact O-N 3.02Å
731I92.5Very high85.5Confident1 Ų141.6 Ų41.61%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-99.3123.3-178.9-60.4-61.7000108.2E71 I604 V606 F628 M714 V717 V729E71-I731 VanDerWaalsContact CB-O 3.3Å; E71-I731 WeakPolarHBondContact CB-O 3.25Å; E71-I731 WeakPolarHBondContact CG-O 3.2Å; I604-I731 HydrophobicContact CG2-CG2 3.41Å; I604-I731 VanDerWaalsContact CG2-CG2 3.41Å; V606-I731 HydrophobicContact CB-CD1 4.32Å; V606-I731 HydrophobicContact CG1-CD1 4.04Å; V606-I731 HydrophobicContact CG2-CD1 3.79Å; F628-I731 HydrophobicContact CE1-CD1 4.06Å; F628-I731 HydrophobicContact CZ-CD1 4.03Å; M714-I731 HydrophobicContact CE-CG2 4.31Å; V717-I731 HydrophobicContact CG1-CB 4.44Å; V717-I731 HydrophobicContact CG1-CD1 3.73Å; V717-I731 HydrophobicContact CG1-CG1 3.88Å; V717-I731 HydrophobicContact CG1-CG2 3.75Å; V729-I731 HydrophobicContact CG1-CD1 4.4Å
732F90.1Very high85Confident39 Ų3943.9 Ų43.917%0.17121%0.207CC..EExtended strand (participates in β ladder)trans-119.5129.7176178-107.2000110.9E71 K72 D75 S605E71-F732 HydrophobicContact CB-CD2 4.26Å; K72-F732 HydrophobicContact CB-CE2 4.15Å; K72-F732 HydrophobicContact CG-CE2 4.43Å; D75-F732 HydrophobicContact CB-CB 4.38Å; D75-F732 HydrophobicContact CB-CD1 3.85Å; D75-F732 HydrophobicContact CB-CD2 3.89Å; D75-F732 HydrophobicContact CB-CE1 4.05Å; D75-F732 HydrophobicContact CB-CE2 4.1Å; D75-F732 HydrophobicContact CB-CG 3.76Å; D75-F732 HydrophobicContact CB-CZ 4.17Å; S605-F732 PolarHBondContact N-O 2.97Å; S605-F732 PolarHBondContact O-N 3.39Å
733Q86.5Confident84.6Confident20 Ų2041.3 Ų41.39%0.09320%0.201CC..  trans-140.5134172-163.5-76.8-2300108.4M602 M714 H735 S736M602-Q733 HydrophobicContact CG-CG 3.99Å; M602-Q733 HydrophobicContact SD-CG 3.9Å; M714-Q733 HydrophobicContact CE-CB 4.01Å; M714-Q733 HydrophobicContact SD-CB 4.44Å; Q733-H735 VanDerWaalsContact C-N 3.27Å; Q733-H735 PolarHBondContact O-N 2.81Å; Q733-S736 WeakPolarHBondContact O-CB 3.45Å; Q733-S736 PolarHBondContact O-N 2.76Å
734Q76.6Confident84.2Confident93 Ų9335.5 Ų35.544%0.43518%0.178SC..THydrogen-bonded Turntrans-60.9-29.7-168.1179.8169.8-13.700115Y737Q734-Y737 WeakPolarHBondContact O-CE1 3.36Å
735H75.7Confident84.1Confident21 Ų2134.1 Ų34.110%0.09717%0.172CC..THydrogen-bonded Turntrans-106.812.2-177-56.8-85.8000113.5E594 Q733 Y737 V738 W739E594-H735 IonicContact OE1-CE1 2.79Å; E594-H735 PolarHBondContact OE1-CE1 3.1Å; E594-H735 IonicContact OE1-ND1 3.33Å; E594-H735 IonicContact OE1-NE2 3.6Å; Q733-H735 VanDerWaalsContact C-N 3.27Å; Q733-H735 PolarHBondContact O-N 2.81Å; H735-Y737 PolarHBondContact O-N 2.84Å; H735-V738 PolarHBondContact O-N 2.93Å; H735-V738 VanDerWaalsContact O-N 3.14Å; H735-W739 HydrophobicContact CB-CH2 3.5Å; H735-W739 HydrophobicContact CB-CZ2 3.54Å; H735-W739 HydrophobicContact CB-CZ3 4.42Å
736S79.6Confident84.2Confident0 Ų030.1 Ų30.10%015%0.153CC..Hα-helixtrans-52.7-31.8-177.7-163.50000113T68 E71 R718 Q733 V738 W739 D740T68-S736 VanDerWaalsContact OG1-C 3.29Å; T68-S736 WeakPolarHBondContact OG1-CB 3.41Å; T68-S736 PolarHBondContact OG1-OG 3.49Å; E71-S736 PolarHBondContact OE2-OG 3.01Å; E71-S736 VanDerWaalsContact OE2-OG 3.06Å; R718-S736 PolarHBondContact NH2-OG 3.3Å; Q733-S736 WeakPolarHBondContact O-CB 3.45Å; Q733-S736 PolarHBondContact O-N 2.76Å; S736-V738 PolarHBondContact O-N 2.8Å; S736-W739 PolarHBondContact O-N 3.23Å; S736-W739 VanDerWaalsContact O-N 3.1Å; S736-D740 PolarHBondContact O-N 2.79Å
737Y77.7Confident84Confident9 Ų931.4 Ų31.44%0.03516%0.156CC..Hα-helixtrans-58.5-39.918061.2-85.4000114.4L57 K58 T62 T68 L577 Q734 H735 W739 Q741L57-Y737 HydrophobicContact CD2-CE2 4.23Å; K58-Y737 HydrophobicContact CD-CE1 4.07Å; K58-Y737 HydrophobicContact CG-CD1 4.38Å; K58-Y737 HydrophobicContact CG-CD2 4.41Å; K58-Y737 HydrophobicContact CG-CE1 3.97Å; K58-Y737 HydrophobicContact CG-CE2 3.99Å; T62-Y737 WeakPolarHBondContact OG1-CB 3.4Å; T68-Y737 PolarHBondContact OG1-N 3.34Å; L577-Y737 HydrophobicContact CD1-CE2 4.06Å; Q734-Y737 WeakPolarHBondContact O-CE1 3.36Å; H735-Y737 PolarHBondContact O-N 2.84Å; Y737-W739 PolarHBondContact O-N 3.39Å; Y737-Q741 WeakPolarHBondContact O-CB 3.5Å; Y737-Q741 PolarHBondContact O-N 3.34Å
738V76.6Confident83.5Confident6 Ų632.3 Ų32.34%0.03616%0.161CC..Hα-helixtrans-70.3-28.2-178.3178.30000110M575 L577 H735 S736 Y742M575-V738 HydrophobicContact CB-CG1 3.82Å; M575-V738 WeakPolarHBondContact O-CG1 3.07Å; L577-V738 HydrophobicContact CD1-CG2 3.83Å; H735-V738 PolarHBondContact O-N 2.93Å; H735-V738 VanDerWaalsContact O-N 3.14Å; S736-V738 PolarHBondContact O-N 2.8Å; V738-Y742 WeakPolarHBondContact O-CB 3.38Å; V738-Y742 PolarHBondContact O-N 3.16Å
739W76.9Confident83.3Confident17 Ų1728.1 Ų28.16%0.06414%0.139CC..Hα-helixtrans-80.3-41.4-179-48.2-176.3000110.5L707 H735 S736 Y737 Q741 Y742 I743L707-W739 HydrophobicContact CD1-CE3 4.38Å; H735-W739 HydrophobicContact CB-CH2 3.5Å; H735-W739 HydrophobicContact CB-CZ2 3.54Å; H735-W739 HydrophobicContact CB-CZ3 4.42Å; S736-W739 PolarHBondContact O-N 3.23Å; S736-W739 VanDerWaalsContact O-N 3.1Å; Y737-W739 PolarHBondContact O-N 3.39Å; W739-Q741 PolarHBondContact O-N 2.82Å; W739-Y742 WeakPolarHBondContact O-CB 3.23Å; W739-Y742 PolarHBondContact O-N 3.01Å; W739-Y742 VanDerWaalsContact O-N 3.11Å; W739-I743 WeakPolarHBondContact O-CG1 3Å; W739-I743 PolarHBondContact O-N 3.32Å
740D80.5Confident83.1Confident13 Ų1333.7 Ų33.77%0.0717%0.167CC..Hα-helixtrans-56.3-40171.4-73.3-10.8000110.9S66 P67 T68 R718 S736 S744S66-D740 PolarHBondContact OG-OD2 3.36Å; P67-D740 WeakPolarHBondContact CD-OD2 3.34Å; T68-D740 PolarHBondContact N-OD2 2.8Å; T68-D740 PolarHBondContact OG1-OD2 3.16Å; R718-D740 IonicContact CZ-OD1 3.05Å; R718-D740 VanDerWaalsContact CZ-OD1 3.26Å; R718-D740 IonicContact NH1-OD1 2.82Å; R718-D740 PolarHBondContact NH1-OD1 3.26Å; R718-D740 IonicContact NH2-OD1 2.7Å; R718-D740 PolarHBondContact NH2-OD1 3.02Å; R718-D740 IonicContact NH2-OD2 2.63Å; R718-D740 PolarHBondContact NH2-OD2 2.7Å; R718-D740 VanDerWaalsContact NH2-OD2 3.13Å; S736-D740 PolarHBondContact O-N 2.79Å; D740-S744 WeakPolarHBondContact O-CB 3.12Å; D740-S744 PolarHBondContact O-N 3.22Å; D740-S744 VanDerWaalsContact O-N 3.12Å; D740-S744 PolarHBondContact O-OG 2.66Å
741Q79.8Confident82.9Confident6 Ų638.5 Ų38.53%0.02819%0.189CC..Hα-helixtrans-64.9-49.4174-165174.228.800112.1Y61 M575 Y737 W739 I743 S744 I745 P801Y61-Q741 PolarHBondContact O-NE2 3.27Å; M575-Q741 HydrophobicContact CE-CB 4.23Å; M575-Q741 HydrophobicContact CE-CG 3.63Å; Y737-Q741 WeakPolarHBondContact O-CB 3.5Å; Y737-Q741 PolarHBondContact O-N 3.34Å; W739-Q741 PolarHBondContact O-N 2.82Å; Q741-I743 VanDerWaalsContact C-N 3.3Å; Q741-I743 PolarHBondContact O-N 2.84Å; Q741-S744 PolarHBondContact O-N 2.98Å; Q741-S744 VanDerWaalsContact O-N 3.13Å; Q741-S744 PolarHBondContact O-OG 3.32Å; Q741-I745 HydrophobicContact CG-CD1 3.8Å; Q741-I745 HydrophobicContact CG-CG1 4.24Å; Q741-I745 WeakPolarHBondContact O-CD1 3.4Å; Q741-I745 VanDerWaalsContact O-CG1 3.26Å; Q741-I745 WeakPolarHBondContact O-CG1 3.42Å; Q741-I745 PolarHBondContact O-N 3.48Å; Q741-P801 HydrophobicContact CG-CG 4.35Å
742Y79.5Confident82.7Confident53 Ų5339 Ų3921%0.20819%0.192CC..Hα-helixtrans-54.7-43.1178.2179.6-94000113V573 M575 L707 T711 V738 W739 P746V573-Y742 HydrophobicContact CB-CD2 4.11Å; V573-Y742 HydrophobicContact CB-CE2 3.56Å; V573-Y742 HydrophobicContact CG1-CD2 3.46Å; V573-Y742 VanDerWaalsContact CG1-CD2 3.46Å; V573-Y742 HydrophobicContact CG1-CE2 3.47Å; V573-Y742 VanDerWaalsContact CG1-CE2 3.47Å; V573-Y742 HydrophobicContact CG1-CG 4.33Å; M575-Y742 HydrophobicContact CB-CD2 4.46Å; M575-Y742 HydrophobicContact CG-CD2 4.02Å; L707-Y742 HydrophobicContact CD2-CD2 3.43Å; L707-Y742 VanDerWaalsContact CD2-CD2 3.43Å; L707-Y742 HydrophobicContact CD2-CE2 3.41Å; L707-Y742 VanDerWaalsContact CD2-CE2 3.41Å; L707-Y742 HydrophobicContact CD2-CG 4.12Å; L707-Y742 HydrophobicContact CG-CD2 4.1Å; L707-Y742 HydrophobicContact CG-CE1 4.49Å; L707-Y742 HydrophobicContact CG-CE2 4.02Å; L707-Y742 HydrophobicContact CG-CG 4.36Å; T711-Y742 HydrophobicContact CG2-CD1 4.13Å; T711-Y742 HydrophobicContact CG2-CE1 4.5Å; V738-Y742 WeakPolarHBondContact O-CB 3.38Å; V738-Y742 PolarHBondContact O-N 3.16Å; W739-Y742 WeakPolarHBondContact O-CB 3.23Å; W739-Y742 PolarHBondContact O-N 3.01Å; W739-Y742 VanDerWaalsContact O-N 3.11Å; Y742-P746 WeakPolarHBondContact O-CD 3.44Å
743I80.4Confident82.7Confident71 Ų7137.8 Ų37.836%0.36419%0.188SC..Hα-helixtrans-66.3-44.2177.8-63.9166.8000110.8T711 W739 Q741T711-I743 HydrophobicContact CG2-CD1 3.59Å; T711-I743 HydrophobicContact CG2-CG1 3.34Å; W739-I743 WeakPolarHBondContact O-CG1 3Å; W739-I743 PolarHBondContact O-N 3.32Å; Q741-I743 VanDerWaalsContact C-N 3.3Å; Q741-I743 PolarHBondContact O-N 2.84Å
744S81.3Confident82.9Confident20 Ų2038.3 Ų38.314%0.1420%0.198CC..Hα-helixtrans-73.4-29.2-172.9690000114.6P63 D740 Q741 N748P63-S744 WeakPolarHBondContact CG-OG 3.25Å; D740-S744 WeakPolarHBondContact O-CB 3.12Å; D740-S744 PolarHBondContact O-N 3.22Å; D740-S744 VanDerWaalsContact O-N 3.12Å; D740-S744 PolarHBondContact O-OG 2.66Å; Q741-S744 PolarHBondContact O-N 2.98Å; Q741-S744 VanDerWaalsContact O-N 3.13Å; Q741-S744 PolarHBondContact O-OG 3.32Å; S744-N748 VanDerWaalsContact O-CB 3.24Å; S744-N748 WeakPolarHBondContact O-CB 3.32Å; S744-N748 VanDerWaalsContact O-CG 3.25Å; S744-N748 PolarHBondContact O-N 3.32Å
745I84.2Confident83.6Confident3 Ų337.6 Ų37.62%0.01520%0.196CC..Hα-helixtrans-59.5-51-168.9-78.6159.3000113.8M575 Q741 E747 N748 T749 L799 P801M575-I745 HydrophobicContact CE-CD1 3.92Å; M575-I745 HydrophobicContact CG-CD1 3.95Å; M575-I745 HydrophobicContact SD-CD1 3.2Å; M575-I745 WeakPolarHBondContact SD-CD1 3.26Å; Q741-I745 HydrophobicContact CG-CD1 3.8Å; Q741-I745 HydrophobicContact CG-CG1 4.24Å; Q741-I745 WeakPolarHBondContact O-CD1 3.4Å; Q741-I745 VanDerWaalsContact O-CG1 3.26Å; Q741-I745 WeakPolarHBondContact O-CG1 3.42Å; Q741-I745 PolarHBondContact O-N 3.48Å; I745-E747 PolarHBondContact O-N 2.94Å; I745-N748 PolarHBondContact O-N 2.97Å; I745-T749 VanDerWaalsContact O-CB 3.3Å; I745-T749 WeakPolarHBondContact O-CB 3.01Å; I745-T749 PolarHBondContact O-N 3.2Å; I745-T749 PolarHBondContact O-OG1 2.86Å; I745-L799 HydrophobicContact CG2-CD2 3.8Å; I745-L799 HydrophobicContact CG2-CG 3.62Å; I745-P801 HydrophobicContact CD1-CG 4.02Å; I745-P801 HydrophobicContact CG1-CG 4.47Å
746P85.8Confident84.3Confident41 Ų4136.6 Ų36.627%0.26619%0.192SC..Hα-helixtrans-62.2-45-175.7-25.836.9000112.4V573 Y742 T749 I750V573-P746 HydrophobicContact CG2-CG 3.72Å; Y742-P746 WeakPolarHBondContact O-CD 3.44Å; P746-T749 PolarHBondContact O-N 3.25Å; P746-I750 WeakPolarHBondContact O-CG1 3.44Å; P746-I750 PolarHBondContact O-N 3.5Å
747E85.3Confident84.7Confident124 Ų12437.8 Ų37.858%0.57920%0.198SC*.Hα-helixtrans-64.8-46.7179.8-64.2-176.6179.200110.8I745 T749 I750 Q751I745-E747 PolarHBondContact O-N 2.94Å; E747-T749 VanDerWaalsContact C-N 3.32Å; E747-T749 PolarHBondContact O-N 2.91Å; E747-I750 PolarHBondContact O-N 3.33Å; E747-Q751 WeakPolarHBondContact O-CB 3.39Å; E747-Q751 VanDerWaalsContact O-CG 3.28Å; E747-Q751 WeakPolarHBondContact O-CG 3.36Å; E747-Q751 PolarHBondContact O-N 3.4Å
748N84.5Confident85.3Confident20 Ų2042.9 Ų42.911%0.10723%0.226CC..Hα-helixtrans-63.2-38.3177.3-74.7-7.9000112.1S744 I745 T752 M804S744-N748 VanDerWaalsContact O-CB 3.24Å; S744-N748 WeakPolarHBondContact O-CB 3.32Å; S744-N748 VanDerWaalsContact O-CG 3.25Å; S744-N748 PolarHBondContact O-N 3.32Å; I745-N748 PolarHBondContact O-N 2.97Å; N748-T752 WeakPolarHBondContact O-CB 3.33Å; N748-T752 WeakPolarHBondContact O-CG2 3.21Å; N748-T752 PolarHBondContact O-N 3.33Å; N748-T752 PolarHBondContact O-OG1 3.45Å; N748-M804 HydrophobicContact CB-SD 4.41Å
749T88.7Confident85.9Confident11 Ų1144.2 Ų44.27%0.06723%0.234CC..Hα-helixtrans-63.7-50177.3-57.50000110.6I745 P746 E747 Q751 T752 V753 L799 M804 I807I745-T749 VanDerWaalsContact O-CB 3.3Å; I745-T749 WeakPolarHBondContact O-CB 3.01Å; I745-T749 PolarHBondContact O-N 3.2Å; I745-T749 PolarHBondContact O-OG1 2.86Å; P746-T749 PolarHBondContact O-N 3.25Å; E747-T749 VanDerWaalsContact C-N 3.32Å; E747-T749 PolarHBondContact O-N 2.91Å; T749-Q751 VanDerWaalsContact C-N 3.32Å; T749-Q751 PolarHBondContact O-N 2.96Å; T749-T752 PolarHBondContact O-N 3.46Å; T749-T752 PolarHBondContact O-OG1 3Å; T749-V753 HydrophobicContact CG2-CG2 4.21Å; T749-V753 VanDerWaalsContact O-CB 3.32Å; T749-V753 WeakPolarHBondContact O-CB 3.48Å; T749-V753 VanDerWaalsContact O-CG2 3.24Å; T749-V753 WeakPolarHBondContact O-CG2 3.47Å; T749-V753 PolarHBondContact O-N 2.79Å; T749-L799 HydrophobicContact CG2-CD1 4.06Å; T749-M804 HydrophobicContact CG2-CG 4.21Å; T749-M804 WeakPolarHBondContact OG1-CG 3.35Å; T749-I807 HydrophobicContact CG2-CD1 4.42Å
750I89Confident86.4Confident128 Ų12843.4 Ų43.466%0.65623%0.232SC*.Hα-helixtrans-61.7-43.1-179.6-68.1167.7000110.7P746 E747 G754P746-I750 WeakPolarHBondContact O-CG1 3.44Å; P746-I750 PolarHBondContact O-N 3.5Å; E747-I750 PolarHBondContact O-N 3.33Å; I750-G754 PolarHBondContact O-N 3.21Å
751Q89.5Confident86.7Confident113 Ų11345.1 Ų45.153%0.52824%0.24SC..Hα-helixtrans-65.1-50.4178.6-70.7177.821.800111.9E747 T749 G754 I755E747-Q751 WeakPolarHBondContact O-CB 3.39Å; E747-Q751 VanDerWaalsContact O-CG 3.28Å; E747-Q751 WeakPolarHBondContact O-CG 3.36Å; E747-Q751 PolarHBondContact O-N 3.4Å; T749-Q751 VanDerWaalsContact C-N 3.32Å; T749-Q751 PolarHBondContact O-N 2.96Å; Q751-G754 PolarHBondContact O-N 3.14Å; Q751-I755 WeakPolarHBondContact O-CB 3.36Å; Q751-I755 WeakPolarHBondContact O-CD1 3.46Å; Q751-I755 WeakPolarHBondContact O-CG1 3.36Å; Q751-I755 PolarHBondContact O-N 2.92Å
752T88.7Confident87Confident11 Ų1151.6 Ų51.67%0.06727%0.269CS..Hα-helixtrans-65.6-42.5-177.649.70000112.4N748 T749 G756 M804N748-T752 WeakPolarHBondContact O-CB 3.33Å; N748-T752 WeakPolarHBondContact O-CG2 3.21Å; N748-T752 PolarHBondContact O-N 3.33Å; N748-T752 PolarHBondContact O-OG1 3.45Å; T749-T752 PolarHBondContact O-N 3.46Å; T749-T752 PolarHBondContact O-OG1 3Å; T752-G756 PolarHBondContact O-N 3.4Å; T752-M804 HydrophobicContact CG2-CE 4.26Å
753V89.1Confident87.2Confident14 Ų1450.4 Ų50.49%0.08527%0.265CS..Hα-helixtrans-66-43.8174.7174.90000110.9T749 I755 G756 I757 I807T749-V753 HydrophobicContact CG2-CG2 4.21Å; T749-V753 VanDerWaalsContact O-CB 3.32Å; T749-V753 WeakPolarHBondContact O-CB 3.48Å; T749-V753 VanDerWaalsContact O-CG2 3.24Å; T749-V753 WeakPolarHBondContact O-CG2 3.47Å; T749-V753 PolarHBondContact O-N 2.79Å; V753-I755 PolarHBondContact O-N 3.33Å; V753-G756 WeakPolarHBondContact O-CA 3.42Å; V753-G756 PolarHBondContact O-N 3.3Å; V753-G756 VanDerWaalsContact O-N 3.17Å; V753-I757 HydrophobicContact CG1-CD1 3.99Å; V753-I757 HydrophobicContact CG1-CG1 4.46Å; V753-I757 WeakPolarHBondContact O-CG1 3.32Å; V753-I757 PolarHBondContact O-N 3.02Å; V753-I807 HydrophobicContact CG2-CG2 3.58Å
754G90.7Very high87.1Confident30 Ų3047.2 Ų47.231%0.30925%0.249SC..Hα-helixtrans-61-45177.500000112.9I750 Q751 G756 I757 L758I750-G754 PolarHBondContact O-N 3.21Å; Q751-G754 PolarHBondContact O-N 3.14Å; G754-G756 VanDerWaalsContact C-N 3.33Å; G754-I757 PolarHBondContact O-N 2.9Å; G754-L758 WeakPolarHBondContact O-CB 3.38Å; G754-L758 VanDerWaalsContact O-CG 3.29Å; G754-L758 WeakPolarHBondContact O-CG 2.97Å; G754-L758 PolarHBondContact O-N 3Å
755I91.6Very high87.2Confident78 Ų7848 Ų4840%0.426%0.257SS..Hα-helixtrans-63.9-40.7173.8-66.5164.6000110.3I402 Q751 V753 L758 C759I402-I755 HydrophobicContact CD1-CG2 4.13Å; I402-I755 HydrophobicContact CG1-CG2 4.22Å; I402-I755 HydrophobicContact CG2-CB 4.38Å; I402-I755 HydrophobicContact CG2-CG2 4.02Å; Q751-I755 WeakPolarHBondContact O-CB 3.36Å; Q751-I755 WeakPolarHBondContact O-CD1 3.46Å; Q751-I755 WeakPolarHBondContact O-CG1 3.36Å; Q751-I755 PolarHBondContact O-N 2.92Å; V753-I755 PolarHBondContact O-N 3.33Å; I755-L758 PolarHBondContact O-N 2.81Å; I755-C759 VanDerWaalsContact O-CB 3.26Å; I755-C759 WeakPolarHBondContact O-CB 2.98Å; I755-C759 PolarHBondContact O-N 3.18Å
756G90Very high86.9Confident1 Ų151.5 Ų51.51%0.0127%0.272CS..Hα-helixtrans-51.7-58.7172.300000112.6T752 V753 G754 L758 C759 M760T752-G756 PolarHBondContact O-N 3.4Å; V753-G756 WeakPolarHBondContact O-CA 3.42Å; V753-G756 PolarHBondContact O-N 3.3Å; V753-G756 VanDerWaalsContact O-N 3.17Å; G754-G756 VanDerWaalsContact C-N 3.33Å; G756-L758 VanDerWaalsContact C-N 3.34Å; G756-L758 PolarHBondContact O-N 3.33Å; G756-C759 WeakPolarHBondContact O-CB 3.5Å; G756-C759 PolarHBondContact O-N 3.5Å; G756-M760 VanDerWaalsContact O-CG 3.3Å; G756-M760 WeakPolarHBondContact O-CG 3.44Å; G756-M760 PolarHBondContact O-N 3.44Å
757I89.7Confident86.3Confident24 Ų2450.1 Ų50.112%0.12326%0.262CS..Hα-helixtrans-57.7-45.6178.9-66.6171.5000111.1V753 G754 C759 M760 I761 L781 L782 D785 L811V753-I757 HydrophobicContact CG1-CD1 3.99Å; V753-I757 HydrophobicContact CG1-CG1 4.46Å; V753-I757 WeakPolarHBondContact O-CG1 3.32Å; V753-I757 PolarHBondContact O-N 3.02Å; G754-I757 PolarHBondContact O-N 2.9Å; I757-C759 PolarHBondContact O-N 3.47Å; I757-M760 PolarHBondContact O-N 3.24Å; I757-I761 HydrophobicContact CG2-CD1 3.79Å; I757-I761 HydrophobicContact CG2-CG1 4.47Å; I757-I761 WeakPolarHBondContact O-CB 3.36Å; I757-I761 VanDerWaalsContact O-CG1 3.27Å; I757-I761 WeakPolarHBondContact O-CG1 3.35Å; I757-I761 PolarHBondContact O-N 2.85Å; I757-L781 HydrophobicContact CB-CD2 4.21Å; I757-L781 HydrophobicContact CG1-CD2 4.07Å; I757-L781 HydrophobicContact CG1-CG 4.2Å; I757-L781 HydrophobicContact CG2-CD2 4.11Å; I757-L782 HydrophobicContact CD1-CD1 4.4Å; I757-D785 WeakPolarHBondContact CD1-OD2 3.42Å; I757-D785 WeakPolarHBondContact CG1-OD2 3.16Å; I757-L811 HydrophobicContact CD1-CD2 4.47Å; I757-L811 HydrophobicContact CG1-CD2 3.64Å
758L90.4Very high85.7Confident117 Ų11744.7 Ų44.761%0.61324%0.237SC*.Hα-helixtrans-63.6-41.8178.9-72.5173.7000112.2G754 I755 G756 I761 F762G754-L758 WeakPolarHBondContact O-CB 3.38Å; G754-L758 VanDerWaalsContact O-CG 3.29Å; G754-L758 WeakPolarHBondContact O-CG 2.97Å; G754-L758 PolarHBondContact O-N 3Å; I755-L758 PolarHBondContact O-N 2.81Å; G756-L758 VanDerWaalsContact C-N 3.34Å; G756-L758 PolarHBondContact O-N 3.33Å; L758-I761 PolarHBondContact O-N 3.26Å; L758-F762 WeakPolarHBondContact O-CB 3.44Å; L758-F762 PolarHBondContact O-N 2.79Å
759C89.4Confident84.9Confident33 Ų3345.6 Ų45.622%0.22324%0.243CC..Hα-helixtrans-61.9-45.3175.6-172.50000110.8I402 I755 G756 I757 I761 F762 M763I402-C759 HydrophobicContact CD1-CB 3.62Å; I755-C759 VanDerWaalsContact O-CB 3.26Å; I755-C759 WeakPolarHBondContact O-CB 2.98Å; I755-C759 PolarHBondContact O-N 3.18Å; G756-C759 WeakPolarHBondContact O-CB 3.5Å; G756-C759 PolarHBondContact O-N 3.5Å; I757-C759 PolarHBondContact O-N 3.47Å; C759-I761 PolarHBondContact O-N 2.89Å; C759-F762 WeakPolarHBondContact O-CB 3.1Å; C759-F762 PolarHBondContact O-N 2.94Å; C759-F762 VanDerWaalsContact O-N 3.16Å; C759-M763 WeakPolarHBondContact O-CB 3.32Å; C759-M763 VanDerWaalsContact O-CG 3.3Å; C759-M763 WeakPolarHBondContact O-CG 3.27Å; C759-M763 PolarHBondContact O-N 3.44Å
760M86.9Confident84.3Confident1 Ų147.4 Ų47.41%0.00525%0.251CS..Hα-helixtrans-65.2-39.2178.9-67.2-54.8108.600112.6T395 A398 L399 G756 I757 F762 M763 T764 L781 V815T395-M760 HydrophobicContact CG2-SD 3.95Å; T395-M760 WeakPolarHBondContact O-CE 3.24Å; A398-M760 HydrophobicContact CB-CE 4.27Å; L399-M760 HydrophobicContact CB-CE 3.92Å; L399-M760 HydrophobicContact CD1-CE 4.05Å; L399-M760 HydrophobicContact CD1-CG 4.14Å; L399-M760 HydrophobicContact CD1-SD 4.26Å; G756-M760 VanDerWaalsContact O-CG 3.3Å; G756-M760 WeakPolarHBondContact O-CG 3.44Å; G756-M760 PolarHBondContact O-N 3.44Å; I757-M760 PolarHBondContact O-N 3.24Å; M760-F762 VanDerWaalsContact C-N 3.35Å; M760-M763 PolarHBondContact O-N 3.08Å; M760-T764 VanDerWaalsContact O-CB 3.31Å; M760-T764 WeakPolarHBondContact O-CB 2.88Å; M760-T764 PolarHBondContact O-N 2.81Å; M760-T764 PolarHBondContact O-OG1 3.04Å; M760-L781 HydrophobicContact CB-CD2 3.73Å; M760-L781 HydrophobicContact CG-CD2 4.28Å; M760-V815 HydrophobicContact CB-CG2 3.79Å; M760-V815 HydrophobicContact CG-CG2 3.83Å; M760-V815 HydrophobicContact SD-CG1 4.33Å; M760-V815 HydrophobicContact SD-CG2 4.24Å
761I86.3Confident83.8Confident49 Ų4948.4 Ų48.425%0.25126%0.257SS..Hα-helixtrans-63.2-43172.5-70169.4000110.5I757 L758 C759 T764 A765 I774I757-I761 HydrophobicContact CG2-CD1 3.79Å; I757-I761 HydrophobicContact CG2-CG1 4.47Å; I757-I761 WeakPolarHBondContact O-CB 3.36Å; I757-I761 VanDerWaalsContact O-CG1 3.27Å; I757-I761 WeakPolarHBondContact O-CG1 3.35Å; I757-I761 PolarHBondContact O-N 2.85Å; L758-I761 PolarHBondContact O-N 3.26Å; C759-I761 PolarHBondContact O-N 2.89Å; I761-T764 PolarHBondContact O-N 3.13Å; I761-A765 VanDerWaalsContact O-CB 3.31Å; I761-A765 WeakPolarHBondContact O-CB 3.43Å; I761-A765 PolarHBondContact O-N 3.17Å; I761-I774 HydrophobicContact CG2-CG2 3.78Å
762F86.1Confident83.5Confident142 Ų14245.7 Ų45.762%0.62324%0.244SC*.Hα-helixtrans-64.1-45.5177.9-179.8-96.7000112L758 C759 M760 A765 F766L758-F762 WeakPolarHBondContact O-CB 3.44Å; L758-F762 PolarHBondContact O-N 2.79Å; C759-F762 WeakPolarHBondContact O-CB 3.1Å; C759-F762 PolarHBondContact O-N 2.94Å; C759-F762 VanDerWaalsContact O-N 3.16Å; M760-F762 VanDerWaalsContact C-N 3.35Å; F762-A765 WeakPolarHBondContact O-CB 3.4Å; F762-A765 PolarHBondContact O-N 3.3Å; F762-F766 PolarHBondContact O-N 2.96Å
763M83.1Confident83.2Confident27 Ų2745.1 Ų45.113%0.13324%0.241CC..Hα-helixtrans-60.3-47.2175-70.8-61.8-78.500110.7L394 T395 C759 M760 A765 F766 F767L394-M763 HydrophobicContact CB-CE 3.63Å; T395-M763 HydrophobicContact CG2-CB 3.7Å; T395-M763 HydrophobicContact CG2-CE 4.38Å; T395-M763 HydrophobicContact CG2-CG 4.2Å; C759-M763 WeakPolarHBondContact O-CB 3.32Å; C759-M763 VanDerWaalsContact O-CG 3.3Å; C759-M763 WeakPolarHBondContact O-CG 3.27Å; C759-M763 PolarHBondContact O-N 3.44Å; M760-M763 PolarHBondContact O-N 3.08Å; M763-A765 VanDerWaalsContact C-N 3.29Å; M763-A765 PolarHBondContact O-N 3.42Å; M763-F766 WeakPolarHBondContact O-CB 3.4Å; M763-F766 PolarHBondContact O-N 3.41Å; M763-F766 VanDerWaalsContact O-N 3.1Å; M763-F767 HydrophobicContact CE-CE2 4.15Å; M763-F767 VanDerWaalsContact O-CD2 3.24Å; M763-F767 WeakPolarHBondContact O-CD2 3.29Å; M763-F767 PolarHBondContact O-N 3.4Å
764T79.8Confident83Confident4 Ų445.6 Ų45.63%0.02524%0.243CC..Hα-helixtrans-59.1-40.8175.2-58.40000111.7M760 I761 F766 F767 I768 V777M760-T764 VanDerWaalsContact O-CB 3.31Å; M760-T764 WeakPolarHBondContact O-CB 2.88Å; M760-T764 PolarHBondContact O-N 2.81Å; M760-T764 PolarHBondContact O-OG1 3.04Å; I761-T764 PolarHBondContact O-N 3.13Å; T764-F766 VanDerWaalsContact C-N 3.3Å; T764-F766 PolarHBondContact O-N 3.38Å; T764-F767 PolarHBondContact O-N 3.41Å; T764-I768 HydrophobicContact CG2-CB 4.44Å; T764-I768 HydrophobicContact CG2-CD1 3.61Å; T764-I768 HydrophobicContact CG2-CG1 4.06Å; T764-I768 WeakPolarHBondContact O-CB 3.36Å; T764-I768 PolarHBondContact O-N 3.17Å; T764-V777 HydrophobicContact CG2-CB 4.1Å; T764-V777 HydrophobicContact CG2-CG1 3.97Å; T764-V777 HydrophobicContact CG2-CG2 4.04Å
765A82.2Confident82.9Confident37 Ų3750 Ų5031%0.30625%0.254SS..Hα-helixtrans-65.6-32.7177.700000113.2I761 F762 M763 F767 I774I761-A765 VanDerWaalsContact O-CB 3.31Å; I761-A765 WeakPolarHBondContact O-CB 3.43Å; I761-A765 PolarHBondContact O-N 3.17Å; F762-A765 WeakPolarHBondContact O-CB 3.4Å; F762-A765 PolarHBondContact O-N 3.3Å; M763-A765 VanDerWaalsContact C-N 3.29Å; M763-A765 PolarHBondContact O-N 3.42Å; A765-F767 VanDerWaalsContact C-N 3.33Å; A765-I774 VanDerWaalsContact CA-CD1 3.47Å; A765-I774 HydrophobicContact CB-CD1 3.54Å; A765-I774 HydrophobicContact CB-CG1 4.15Å; A765-I774 HydrophobicContact CB-CG2 4.23Å
766F77.5Confident82.9Confident77 Ų7748 Ų4834%0.33824%0.241SC..Hα-helixtrans-67.6-32.9177.4-166.7-102.9000112.5L7 S8 I11 F762 M763 T764L7-F766 HydrophobicContact CD2-CD2 4.27Å; L7-F766 HydrophobicContact CD2-CE2 3.96Å; S8-F766 VanDerWaalsContact CA-O 3.24Å; S8-F766 WeakPolarHBondContact CA-O 3.35Å; S8-F766 WeakPolarHBondContact CB-O 3.12Å; I11-F766 HydrophobicContact CD1-CD1 3.83Å; I11-F766 HydrophobicContact CD1-CD2 3.9Å; I11-F766 HydrophobicContact CD1-CE1 3.4Å; I11-F766 VanDerWaalsContact CD1-CE1 3.4Å; I11-F766 HydrophobicContact CD1-CE2 3.46Å; I11-F766 VanDerWaalsContact CD1-CE2 3.46Å; I11-F766 HydrophobicContact CD1-CG 4.07Å; I11-F766 HydrophobicContact CD1-CZ 3.21Å; I11-F766 HydrophobicContact CG1-CE1 4.23Å; I11-F766 HydrophobicContact CG1-CZ 4.11Å; I11-F766 HydrophobicContact CG2-CE1 4.1Å; F762-F766 PolarHBondContact O-N 2.96Å; M763-F766 WeakPolarHBondContact O-CB 3.4Å; M763-F766 PolarHBondContact O-N 3.41Å; M763-F766 VanDerWaalsContact O-N 3.1Å; T764-F766 VanDerWaalsContact C-N 3.3Å; T764-F766 PolarHBondContact O-N 3.38Å
767F73Confident82.8Confident12 Ų1248 Ų485%0.05324%0.241CC..Hα-helixtrans-103.2-32.3-176.6-68.1-76000114.8I11 N12 L15 V391 L394 M763 T764 A765I11-F767 HydrophobicContact CG2-CD1 4.44Å; I11-F767 HydrophobicContact CG2-CE1 4.26Å; N12-F767 PolarHBondContact ND2-O 3.15Å; L15-F767 HydrophobicContact CD1-CD1 4.24Å; L15-F767 HydrophobicContact CD1-CE1 3.73Å; V391-F767 HydrophobicContact CB-CD2 4.22Å; V391-F767 HydrophobicContact CB-CE2 4.44Å; V391-F767 HydrophobicContact CB-CG 4.36Å; V391-F767 HydrophobicContact CG1-CB 4.35Å; V391-F767 HydrophobicContact CG1-CD2 3.7Å; V391-F767 HydrophobicContact CG1-CE2 4.19Å; V391-F767 HydrophobicContact CG1-CG 4.09Å; V391-F767 HydrophobicContact CG2-CB 3.9Å; V391-F767 HydrophobicContact CG2-CD1 3.37Å; V391-F767 HydrophobicContact CG2-CD2 3.62Å; V391-F767 HydrophobicContact CG2-CE1 3.66Å; V391-F767 HydrophobicContact CG2-CE2 3.92Å; V391-F767 HydrophobicContact CG2-CG 3.35Å; V391-F767 HydrophobicContact CG2-CZ 3.94Å; L394-F767 HydrophobicContact CD1-CZ 4.12Å; M763-F767 HydrophobicContact CE-CE2 4.15Å; M763-F767 VanDerWaalsContact O-CD2 3.24Å; M763-F767 WeakPolarHBondContact O-CD2 3.29Å; M763-F767 PolarHBondContact O-N 3.4Å; T764-F767 PolarHBondContact O-N 3.41Å; A765-F767 VanDerWaalsContact C-N 3.33Å
768I73.7Confident82.8Confident10 Ų1047.3 Ų47.35%0.05124%0.24CC..  trans-99.5117.2-177.4-51.5-174.3000111T764 H770 S773 H823T764-I768 HydrophobicContact CG2-CB 4.44Å; T764-I768 HydrophobicContact CG2-CD1 3.61Å; T764-I768 HydrophobicContact CG2-CG1 4.06Å; T764-I768 WeakPolarHBondContact O-CB 3.36Å; T764-I768 PolarHBondContact O-N 3.17Å; I768-H770 HydrophobicContact CG2-CB 4.49Å; I768-H770 PolarHBondContact O-N 3.03Å; I768-S773 WeakPolarHBondContact CG2-OG 3.41Å; I768-H823 HydrophobicContact CD1-CB 4.45Å
769P68Low82.8Confident38 Ų3845.2 Ų45.225%0.24723%0.226CC..  trans-76.48.7-173.431.3-36.7000116P6 S8 V9P6-P769 HydrophobicContact CB-CB 4.37Å; S8-P769 WeakPolarHBondContact OG-CA 3.4Å; S8-P769 VanDerWaalsContact OG-CB 3.29Å; S8-P769 WeakPolarHBondContact OG-CB 3.32Å; V9-P769 HydrophobicContact CG2-CB 3.57Å; V9-P769 HydrophobicContact CG2-CG 4.11Å
770H75.2Confident83Confident49 Ų4943.9 Ų43.923%0.22722%0.216CC..  trans-117110.8-173-63.6-57.9000111.1I768 H772 S773 I774 Y826I768-H770 HydrophobicContact CG2-CB 4.49Å; I768-H770 PolarHBondContact O-N 3.03Å; H770-H772 PolarHBondContact O-N 3.26Å; H770-S773 WeakPolarHBondContact O-CA 3.28Å; H770-S773 WeakPolarHBondContact O-CB 3.43Å; H770-S773 PolarHBondContact O-N 3.29Å; H770-I774 PolarHBondContact O-N 3.39Å; H770-Y826 HydrophobicContact CB-CD1 4.31Å; H770-Y826 HydrophobicContact CB-CD2 4.22Å; H770-Y826 HydrophobicContact CB-CE1 4.42Å; H770-Y826 HydrophobicContact CB-CE2 4.36Å; H770-Y826 HydrophobicContact CB-CG 4.25Å; H770-Y826 WeakPolarHBondContact CD2-CB 3.46Å; H770-Y826 AromaticContact CD2-CD1 3.78Å; H770-Y826 AromaticContact CD2-CD2 3.99Å; H770-Y826 AromaticContact CD2-CG 3.41Å; H770-Y826 VanDerWaalsContact CD2-CG 3.41Å; H770-Y826 AromaticContact CG-CD1 3.89Å; H770-Y826 AromaticContact CG-CG 3.88Å
771L79.9Confident83.2Confident149 Ų14944 Ų4478%0.7822%0.217SC*.Hα-helixtrans-53-39.5178.4-68.5175.9000113.3S773 I774 F775L771-S773 VanDerWaalsContact C-N 3.29Å; L771-S773 PolarHBondContact O-N 3.35Å; L771-I774 HydrophobicContact CD2-CD1 4.21Å; L771-I774 WeakPolarHBondContact O-CB 3.29Å; L771-I774 PolarHBondContact O-N 3.44Å; L771-F775 PolarHBondContact O-N 3Å
772H82.4Confident83.5Confident56 Ų5645.8 Ų45.826%0.25923%0.227SC..Hα-helixtrans-66.8-31.2177.4-174.2-86.4000112.6H770 W776 Y826 S900H770-H772 PolarHBondContact O-N 3.26Å; H772-W776 AromaticContact CD2-NE1 3.95Å; H772-W776 AromaticContact CE1-CD1 3.15Å; H772-W776 AromaticContact CE1-NE1 2.88Å; H772-W776 PolarHBondContact CE1-NE1 2.78Å; H772-W776 AromaticContact ND1-CD1 3.3Å; H772-W776 VanDerWaalsContact ND1-CD1 3.3Å; H772-W776 AromaticContact ND1-NE1 3.53Å; H772-W776 AromaticContact NE2-CD1 3.75Å; H772-W776 AromaticContact NE2-NE1 3.14Å; H772-W776 PolarHBondContact NE2-NE1 3.5Å; H772-W776 VanDerWaalsContact NE2-NE1 3.14Å; H772-W776 VanDerWaalsContact O-CD1 3.23Å; H772-W776 PolarHBondContact O-N 2.96Å; H772-Y826 AromaticContact ND1-CZ 3.95Å; H772-Y826 PolarHBondContact ND1-OH 3.38Å; H772-S900 PolarHBondContact CE1-OG 3.41Å
773S82.5Confident83.9Confident0 Ų039.1 Ų39.10%020%0.198CC..Hα-helixtrans-64.1-45.2171.4-173.70000111I768 H770 L771 F775 W776 V777 C822I768-S773 WeakPolarHBondContact CG2-OG 3.41Å; H770-S773 WeakPolarHBondContact O-CA 3.28Å; H770-S773 WeakPolarHBondContact O-CB 3.43Å; H770-S773 PolarHBondContact O-N 3.29Å; L771-S773 VanDerWaalsContact C-N 3.29Å; L771-S773 PolarHBondContact O-N 3.35Å; S773-F775 VanDerWaalsContact C-N 3.29Å; S773-F775 PolarHBondContact O-N 2.94Å; S773-W776 PolarHBondContact O-N 3.46Å; S773-V777 VanDerWaalsContact O-CG2 3.29Å; S773-V777 WeakPolarHBondContact O-CG2 3.47Å; S773-V777 PolarHBondContact O-N 3.26Å; S773-C822 WeakPolarHBondContact OG-CB 3.05Å
774I84.8Confident84.4Confident24 Ų2437.9 Ų37.912%0.12319%0.192CC..Hα-helixtrans-61.2-42.8-178.3-60.2164.3000109.8I761 A765 H770 L771 V777 G778I761-I774 HydrophobicContact CG2-CG2 3.78Å; A765-I774 VanDerWaalsContact CA-CD1 3.47Å; A765-I774 HydrophobicContact CB-CD1 3.54Å; A765-I774 HydrophobicContact CB-CG1 4.15Å; A765-I774 HydrophobicContact CB-CG2 4.23Å; H770-I774 PolarHBondContact O-N 3.39Å; L771-I774 HydrophobicContact CD2-CD1 4.21Å; L771-I774 WeakPolarHBondContact O-CB 3.29Å; L771-I774 PolarHBondContact O-N 3.44Å; I774-V777 PolarHBondContact O-N 3.45Å; I774-G778 PolarHBondContact O-N 2.86Å
775F89.4Confident84.9Confident123 Ų12337.9 Ų37.954%0.53919%0.191SC..Hα-helixtrans-58.3-51.3175174.5-96.8000112.5L771 S773 V777 G778 F779L771-F775 PolarHBondContact O-N 3Å; S773-F775 VanDerWaalsContact C-N 3.29Å; S773-F775 PolarHBondContact O-N 2.94Å; F775-V777 VanDerWaalsContact C-N 3.35Å; F775-V777 PolarHBondContact O-N 3.28Å; F775-G778 PolarHBondContact O-N 3.31Å; F775-F779 WeakPolarHBondContact O-CB 3.25Å; F775-F779 PolarHBondContact O-N 3.48Å
776W90.4Very high85.5Confident35 Ų3538.2 Ų38.213%0.13319%0.188CC..Hα-helixtrans-69.2-32-178.3-77.1109.4000113.3H772 S773 F779 T780 L893 F896 L897H772-W776 AromaticContact CD2-NE1 3.95Å; H772-W776 AromaticContact CE1-CD1 3.15Å; H772-W776 AromaticContact CE1-NE1 2.88Å; H772-W776 PolarHBondContact CE1-NE1 2.78Å; H772-W776 AromaticContact ND1-CD1 3.3Å; H772-W776 VanDerWaalsContact ND1-CD1 3.3Å; H772-W776 AromaticContact ND1-NE1 3.53Å; H772-W776 AromaticContact NE2-CD1 3.75Å; H772-W776 AromaticContact NE2-NE1 3.14Å; H772-W776 PolarHBondContact NE2-NE1 3.5Å; H772-W776 VanDerWaalsContact NE2-NE1 3.14Å; H772-W776 VanDerWaalsContact O-CD1 3.23Å; H772-W776 PolarHBondContact O-N 2.96Å; S773-W776 PolarHBondContact O-N 3.46Å; W776-F779 HydrophobicContact CE3-CB 4.41Å; W776-F779 AromaticContact CE3-CD1 3.81Å; W776-F779 HydrophobicContact CE3-CD1 3.81Å; W776-F779 HydrophobicContact CE3-CE1 4.49Å; W776-F779 HydrophobicContact CE3-CG 4.35Å; W776-F779 AromaticContact CZ3-CD1 3.68Å; W776-F779 HydrophobicContact CZ3-CD1 3.68Å; W776-F779 AromaticContact CZ3-CE1 3.93Å; W776-F779 HydrophobicContact CZ3-CE1 3.93Å; W776-F779 HydrophobicContact CZ3-CG 4.34Å; W776-T780 VanDerWaalsContact O-CB 3.24Å; W776-T780 WeakPolarHBondContact O-CB 3.4Å; W776-T780 PolarHBondContact O-N 3.14Å; W776-T780 PolarHBondContact O-OG1 2.77Å; W776-L893 HydrophobicContact CB-CD1 3.99Å; W776-F896 HydrophobicContact CD2-CB 4.14Å; W776-F896 HydrophobicContact CE3-CB 3.75Å; W776-F896 AromaticContact CE3-CD2 3.99Å; W776-F896 HydrophobicContact CE3-CD2 3.99Å; W776-F896 HydrophobicContact CE3-CG 4.01Å; W776-F896 HydrophobicContact CH2-CB 3.71Å; W776-F896 HydrophobicContact CH2-CD1 4Å; W776-F896 HydrophobicContact CH2-CD2 4.47Å; W776-F896 AromaticContact CH2-CG 3.84Å; W776-F896 HydrophobicContact CH2-CG 3.84Å; W776-F896 HydrophobicContact CZ2-CB 4.08Å; W776-F896 HydrophobicContact CZ3-CB 3.54Å; W776-F896 AromaticContact CZ3-CD1 3.95Å; W776-F896 HydrophobicContact CZ3-CD1 3.95Å; W776-F896 AromaticContact CZ3-CD2 3.65Å; W776-F896 HydrophobicContact CZ3-CD2 3.65Å; W776-F896 HydrophobicContact CZ3-CE2 4.33Å; W776-F896 AromaticContact CZ3-CG 3.46Å; W776-F896 HydrophobicContact CZ3-CG 3.46Å; W776-F896 VanDerWaalsContact CZ3-CG 3.46Å; W776-L897 HydrophobicContact CB-CD2 4.23Å; W776-L897 HydrophobicContact CG-CD2 4.1Å
777V87.7Confident86.4Confident2 Ų234.6 Ų34.61%0.01217%0.172CC..Hα-helixtrans-63.5-50.3171.3172.50000109.9T764 S773 I774 F775 F779 T780 L781 A818 C822T764-V777 HydrophobicContact CG2-CB 4.1Å; T764-V777 HydrophobicContact CG2-CG1 3.97Å; T764-V777 HydrophobicContact CG2-CG2 4.04Å; S773-V777 VanDerWaalsContact O-CG2 3.29Å; S773-V777 WeakPolarHBondContact O-CG2 3.47Å; S773-V777 PolarHBondContact O-N 3.26Å; I774-V777 PolarHBondContact O-N 3.45Å; F775-V777 VanDerWaalsContact C-N 3.35Å; F775-V777 PolarHBondContact O-N 3.28Å; V777-F779 PolarHBondContact O-N 2.83Å; V777-T780 PolarHBondContact O-N 2.92Å; V777-L781 WeakPolarHBondContact O-CB 3.27Å; V777-L781 PolarHBondContact O-N 2.89Å; V777-A818 HydrophobicContact CB-CB 4.43Å; V777-A818 HydrophobicContact CG1-CB 4.18Å; V777-A818 HydrophobicContact CG2-CB 4.08Å; V777-C822 HydrophobicContact CG2-CB 4.29Å
778G89.8Confident87.5Confident9 Ų934 Ų349%0.09317%0.17CC..Hα-helixtrans-61.7-40.9177.900000113.4I774 F775 L781 L782I774-G778 PolarHBondContact O-N 2.86Å; F775-G778 PolarHBondContact O-N 3.31Å; G778-L781 PolarHBondContact O-N 3.13Å; G778-L782 WeakPolarHBondContact O-CB 3.3Å; G778-L782 PolarHBondContact O-N 3.41Å
779F91.8Very high88.5Confident72 Ų7235 Ų3532%0.31617%0.174SC..Hα-helixtrans-64.3-41.3175.2-179.7-97.1000112.2Y557 F775 W776 V777 S783 F896Y557-F779 HydrophobicContact CE1-CZ 4.37Å; Y557-F779 WeakPolarHBondContact OH-CE1 3.42Å; Y557-F779 WeakPolarHBondContact OH-CZ 3.29Å; F775-F779 WeakPolarHBondContact O-CB 3.25Å; F775-F779 PolarHBondContact O-N 3.48Å; W776-F779 HydrophobicContact CE3-CB 4.41Å; W776-F779 AromaticContact CE3-CD1 3.81Å; W776-F779 HydrophobicContact CE3-CD1 3.81Å; W776-F779 HydrophobicContact CE3-CE1 4.49Å; W776-F779 HydrophobicContact CE3-CG 4.35Å; W776-F779 AromaticContact CZ3-CD1 3.68Å; W776-F779 HydrophobicContact CZ3-CD1 3.68Å; W776-F779 AromaticContact CZ3-CE1 3.93Å; W776-F779 HydrophobicContact CZ3-CE1 3.93Å; W776-F779 HydrophobicContact CZ3-CG 4.34Å; V777-F779 PolarHBondContact O-N 2.83Å; F779-S783 VanDerWaalsContact O-CB 3.25Å; F779-S783 WeakPolarHBondContact O-CB 3.18Å; F779-S783 PolarHBondContact O-N 3.46Å; F779-F896 HydrophobicContact CE1-CE2 4.05Å; F779-F896 HydrophobicContact CE1-CZ 4.34Å
780T92.7Very high89.8Confident5 Ų533.1 Ų33.13%0.03116%0.163CC..Hα-helixtrans-65.9-42.4177.9-590000110.8W776 V777 S783 M784 A818 H888W776-T780 VanDerWaalsContact O-CB 3.24Å; W776-T780 WeakPolarHBondContact O-CB 3.4Å; W776-T780 PolarHBondContact O-N 3.14Å; W776-T780 PolarHBondContact O-OG1 2.77Å; V777-T780 PolarHBondContact O-N 2.92Å; T780-S783 PolarHBondContact O-N 3.19Å; T780-M784 VanDerWaalsContact O-CB 3.23Å; T780-M784 WeakPolarHBondContact O-CB 3.22Å; T780-M784 PolarHBondContact O-N 2.75Å; T780-A818 HydrophobicContact CG2-CB 4.26Å; T780-H888 HydrophobicContact CG2-CB 3.83Å
781L91.2Very high90.8Very high4 Ų432.9 Ų32.92%0.02116%0.161CC..Hα-helixtrans-60-54.2177.3-171.359.1000110.9I757 M760 V777 G778 S783 M784 D785 L811 P814 V815I757-L781 HydrophobicContact CB-CD2 4.21Å; I757-L781 HydrophobicContact CG1-CD2 4.07Å; I757-L781 HydrophobicContact CG1-CG 4.2Å; I757-L781 HydrophobicContact CG2-CD2 4.11Å; M760-L781 HydrophobicContact CB-CD2 3.73Å; M760-L781 HydrophobicContact CG-CD2 4.28Å; V777-L781 WeakPolarHBondContact O-CB 3.27Å; V777-L781 PolarHBondContact O-N 2.89Å; G778-L781 PolarHBondContact O-N 3.13Å; L781-S783 VanDerWaalsContact C-N 3.34Å; L781-S783 PolarHBondContact O-N 2.93Å; L781-M784 PolarHBondContact O-N 2.89Å; L781-M784 VanDerWaalsContact O-N 3.09Å; L781-D785 VanDerWaalsContact O-CG 3.28Å; L781-D785 PolarHBondContact O-N 2.97Å; L781-D785 VanDerWaalsContact O-OD2 3.11Å; L781-L811 HydrophobicContact CD1-CD2 3.81Å; L781-L811 HydrophobicContact CD2-CD2 4.27Å; L781-L811 HydrophobicContact CG-CD2 4.05Å; L781-P814 HydrophobicContact CD1-CB 4.35Å; L781-V815 HydrophobicContact CD1-CG2 3.69Å; L781-V815 HydrophobicContact CD2-CG2 3.84Å; L781-V815 HydrophobicContact CG-CG2 4.35Å
782L91.8Very high91.6Very high86 Ų8626 Ų2645%0.4513%0.125SC..Hα-helixtrans-57.3-45.5177.8178.964.6000112.6I757 G778 M784 L786I757-L782 HydrophobicContact CD1-CD1 4.4Å; G778-L782 WeakPolarHBondContact O-CB 3.3Å; G778-L782 PolarHBondContact O-N 3.41Å; L782-M784 VanDerWaalsContact C-N 3.28Å; L782-M784 PolarHBondContact O-N 2.85Å; L782-L786 HydrophobicContact CD1-CD1 4.3Å; L782-L786 HydrophobicContact CD1-CG 4.42Å; L782-L786 HydrophobicContact CG-CD1 4.22Å; L782-L786 WeakPolarHBondContact O-CB 3.29Å; L782-L786 VanDerWaalsContact O-CG 3.26Å; L782-L786 WeakPolarHBondContact O-CG 3.45Å; L782-L786 PolarHBondContact O-N 2.94Å; L782-L786 VanDerWaalsContact O-N 3.12Å
783S94.9Very high92.2Very high3 Ų324.2 Ų24.22%0.02112%0.119CC..Hα-helixtrans-62.7-38.4179.3-171.40000111.7Y557 Y560 F779 T780 L781 G787 H888Y557-S783 WeakPolarHBondContact CE2-OG 3.43Å; Y557-S783 WeakPolarHBondContact OH-CB 3.3Å; Y557-S783 PolarHBondContact OH-OG 3.45Å; Y560-S783 PolarHBondContact OH-O 2.88Å; F779-S783 VanDerWaalsContact O-CB 3.25Å; F779-S783 WeakPolarHBondContact O-CB 3.18Å; F779-S783 PolarHBondContact O-N 3.46Å; T780-S783 PolarHBondContact O-N 3.19Å; L781-S783 VanDerWaalsContact C-N 3.34Å; L781-S783 PolarHBondContact O-N 2.93Å; S783-G787 PolarHBondContact O-N 3.38Å; S783-H888 PolarHBondContact OG-NE2 2.82Å
784M93Very high92.7Very high1 Ų127.4 Ų27.41%0.00514%0.138CC..Hα-helixtrans-75.2-41.7-178.4-164-123.743.800112.4Y560 T780 L781 L782 L786 G787 V788 S810 P814 T881 I884Y560-M784 WeakPolarHBondContact OH-CA 3.38Å; T780-M784 VanDerWaalsContact O-CB 3.23Å; T780-M784 WeakPolarHBondContact O-CB 3.22Å; T780-M784 PolarHBondContact O-N 2.75Å; L781-M784 PolarHBondContact O-N 2.89Å; L781-M784 VanDerWaalsContact O-N 3.09Å; L782-M784 VanDerWaalsContact C-N 3.28Å; L782-M784 PolarHBondContact O-N 2.85Å; M784-L786 PolarHBondContact O-N 3.18Å; M784-G787 CarbonylContact O-C 3.55Å; M784-G787 VanDerWaalsContact O-CA 3.29Å; M784-G787 WeakPolarHBondContact O-CA 3.19Å; M784-G787 PolarHBondContact O-N 3.45Å; M784-V788 HydrophobicContact CE-CG2 4.03Å; M784-V788 PolarHBondContact O-N 3.45Å; M784-V788 HydrophobicContact SD-CG2 4.4Å; M784-S810 WeakPolarHBondContact CE-O 3.4Å; M784-P814 HydrophobicContact CE-CB 3.94Å; M784-P814 HydrophobicContact CE-CG 3.21Å; M784-P814 HydrophobicContact CG-CG 4.49Å; M784-P814 HydrophobicContact SD-CB 3.5Å; M784-P814 WeakPolarHBondContact SD-CB 3.4Å; M784-P814 HydrophobicContact SD-CG 3.01Å; M784-P814 WeakPolarHBondContact SD-CG 3.5Å; M784-T881 HydrophobicContact SD-CG2 4.31Å; M784-I884 HydrophobicContact CB-CG2 4.37Å; M784-I884 HydrophobicContact CG-CB 4.07Å; M784-I884 HydrophobicContact CG-CG2 3.41Å; M784-I884 VanDerWaalsContact CG-CG2 3.41Å
785D92Very high93.2Very high3 Ų331.4 Ų31.42%0.01615%0.151CC..Hα-helixtrans-62.8-43176.6-63.4-35.3000111.8I757 L781 G787 V788 I789 L811I757-D785 WeakPolarHBondContact CD1-OD2 3.42Å; I757-D785 WeakPolarHBondContact CG1-OD2 3.16Å; L781-D785 VanDerWaalsContact O-CG 3.28Å; L781-D785 PolarHBondContact O-N 2.97Å; L781-D785 VanDerWaalsContact O-OD2 3.11Å; D785-G787 PolarHBondContact O-N 3.4Å; D785-V788 PolarHBondContact O-N 3.03Å; D785-I789 WeakPolarHBondContact O-CB 3.19Å; D785-I789 VanDerWaalsContact O-CG1 3.29Å; D785-I789 WeakPolarHBondContact O-CG1 3.39Å; D785-I789 PolarHBondContact O-N 3.37Å; D785-L811 VanDerWaalsContact OD1-CD2 3.3Å; D785-L811 WeakPolarHBondContact OD1-CD2 3.38Å; D785-L811 WeakPolarHBondContact OD2-CD2 3.36Å
786L94.3Very high93.2Very high45 Ų4528.2 Ų28.224%0.23615%0.154CC..Hα-helixtrans-57.5-37.8171.7-73.7173.1000111.4I561 L565 S568 L782 M784 G790I561-L786 HydrophobicContact CD1-CD1 4.29Å; L565-L786 HydrophobicContact CD2-CD1 4.26Å; L565-L786 HydrophobicContact CD2-CD2 4.44Å; S568-L786 PolarHBondContact OG-O 3.24Å; L782-L786 HydrophobicContact CD1-CD1 4.3Å; L782-L786 HydrophobicContact CD1-CG 4.42Å; L782-L786 HydrophobicContact CG-CD1 4.22Å; L782-L786 WeakPolarHBondContact O-CB 3.29Å; L782-L786 VanDerWaalsContact O-CG 3.26Å; L782-L786 WeakPolarHBondContact O-CG 3.45Å; L782-L786 PolarHBondContact O-N 2.94Å; L782-L786 VanDerWaalsContact O-N 3.12Å; M784-L786 PolarHBondContact O-N 3.18Å; L786-G790 PolarHBondContact O-N 3.14Å
787G95.8Very high93.3Very high0 Ų026.8 Ų26.80%015%0.149CC..Hα-helixtrans-59.6-56.6171.600000112.1Y560 S783 M784 D785 I789 G790 F791Y560-G787 WeakPolarHBondContact OH-CA 3.37Å; S783-G787 PolarHBondContact O-N 3.38Å; M784-G787 CarbonylContact O-C 3.55Å; M784-G787 VanDerWaalsContact O-CA 3.29Å; M784-G787 WeakPolarHBondContact O-CA 3.19Å; M784-G787 PolarHBondContact O-N 3.45Å; D785-G787 PolarHBondContact O-N 3.4Å; G787-I789 PolarHBondContact O-N 2.82Å; G787-G790 PolarHBondContact O-N 3.24Å; G787-F791 WeakPolarHBondContact O-CB 3.22Å; G787-F791 WeakPolarHBondContact O-CD2 3.5Å; G787-F791 PolarHBondContact O-N 3.37Å
788V95.5Very high93.5Very high0 Ų027.5 Ų27.50%015%0.153CC..Hα-helixtrans-57.5-49.4-177.5175.40000110.7M784 D785 G790 L792 T877 I884M784-V788 HydrophobicContact CE-CG2 4.03Å; M784-V788 PolarHBondContact O-N 3.45Å; M784-V788 HydrophobicContact SD-CG2 4.4Å; D785-V788 PolarHBondContact O-N 3.03Å; V788-G790 PolarHBondContact O-N 2.62Å; V788-L792 HydrophobicContact CG1-CD1 3.81Å; V788-L792 HydrophobicContact CG1-CG 4.36Å; V788-L792 VanDerWaalsContact O-CB 3.3Å; V788-L792 WeakPolarHBondContact O-CB 3.38Å; V788-L792 WeakPolarHBondContact O-CG 3.32Å; V788-L792 PolarHBondContact O-N 3.45Å; V788-T877 HydrophobicContact CG1-CG2 3.88Å; V788-I884 HydrophobicContact CG2-CD1 4.19Å
789I94.6Very high93.4Very high30 Ų3027.7 Ų27.715%0.15415%0.152CC..Hα-helixtrans-60.9-46.7178-63.5168.1000110.8I571 D785 G787 S793 I807I571-I789 HydrophobicContact CD1-CG2 4Å; D785-I789 WeakPolarHBondContact O-CB 3.19Å; D785-I789 VanDerWaalsContact O-CG1 3.29Å; D785-I789 WeakPolarHBondContact O-CG1 3.39Å; D785-I789 PolarHBondContact O-N 3.37Å; G787-I789 PolarHBondContact O-N 2.82Å; I789-S793 WeakPolarHBondContact O-CB 3.39Å; I789-S793 PolarHBondContact O-N 3.06Å; I789-S793 VanDerWaalsContact O-N 3.09Å; I789-I807 HydrophobicContact CD1-CG2 3.99Å; I789-I807 HydrophobicContact CG1-CD1 4Å; I789-I807 HydrophobicContact CG1-CG1 4.08Å; I789-I807 HydrophobicContact CG1-CG2 3.95Å
790G96.2Very high93.2Very high0 Ų024.6 Ų24.60%014%0.139CC..Hα-helixtrans-63.4-47.3-179.100000113.2A564 S568 L786 G787 V788 S793 V794A564-G790 WeakPolarHBondContact O-CA 3.4Å; S568-G790 PolarHBondContact OG-N 3.25Å; L786-G790 PolarHBondContact O-N 3.14Å; G787-G790 PolarHBondContact O-N 3.24Å; V788-G790 PolarHBondContact O-N 2.62Å; G790-S793 WeakPolarHBondContact O-CB 3.34Å; G790-S793 PolarHBondContact O-N 3.02Å; G790-V794 WeakPolarHBondContact O-CG2 3.44Å; G790-V794 PolarHBondContact O-N 3.24Å
791F96.8Very high92.7Very high44 Ų4424.6 Ų24.619%0.19314%0.139CC..Hα-helixtrans-72.2-32.6-180-77.1-74.1000112.9Y560 L563 G787 S793 V794 W795 L880 I884Y560-F791 AromaticContact CD2-CE2 3.69Å; Y560-F791 HydrophobicContact CD2-CE2 3.69Å; Y560-F791 HydrophobicContact CD2-CZ 4.23Å; Y560-F791 HydrophobicContact CE2-CD2 4.44Å; Y560-F791 AromaticContact CE2-CE2 3.69Å; Y560-F791 HydrophobicContact CE2-CE2 3.69Å; L563-F791 HydrophobicContact CD2-CE1 3.52Å; L563-F791 HydrophobicContact CD2-CZ 3.76Å; L563-F791 HydrophobicContact CG-CE1 4.24Å; L563-F791 HydrophobicContact CG-CZ 4.31Å; G787-F791 WeakPolarHBondContact O-CB 3.22Å; G787-F791 WeakPolarHBondContact O-CD2 3.5Å; G787-F791 PolarHBondContact O-N 3.37Å; F791-S793 VanDerWaalsContact C-N 3.34Å; F791-V794 PolarHBondContact O-N 2.87Å; F791-W795 WeakPolarHBondContact O-CB 3.31Å; F791-W795 PolarHBondContact O-N 2.88Å; F791-L880 HydrophobicContact CB-CD1 3.88Å; F791-L880 HydrophobicContact CB-CD2 3.83Å; F791-L880 HydrophobicContact CB-CG 4.5Å; F791-L880 HydrophobicContact CG-CD2 4.42Å; F791-I884 HydrophobicContact CD2-CD1 3.86Å; F791-I884 HydrophobicContact CE2-CD1 4.47Å
792L95.2Very high92.5Very high4 Ų424.7 Ų24.72%0.02114%0.139CC..Hα-helixtrans-60.2-46.1170.4-76.7173.4000111V788 V794 W795 G796 V797 I807 R876 T877 L880V788-L792 HydrophobicContact CG1-CD1 3.81Å; V788-L792 HydrophobicContact CG1-CG 4.36Å; V788-L792 VanDerWaalsContact O-CB 3.3Å; V788-L792 WeakPolarHBondContact O-CB 3.38Å; V788-L792 WeakPolarHBondContact O-CG 3.32Å; V788-L792 PolarHBondContact O-N 3.45Å; L792-V794 VanDerWaalsContact C-N 3.34Å; L792-V794 PolarHBondContact O-N 3.26Å; L792-W795 CarbonylContact O-C 3.56Å; L792-W795 WeakPolarHBondContact O-CA 3.44Å; L792-W795 WeakPolarHBondContact O-CB 3.3Å; L792-W795 PolarHBondContact O-N 2.84Å; L792-W795 VanDerWaalsContact O-N 3.09Å; L792-G796 PolarHBondContact O-N 2.89Å; L792-V797 HydrophobicContact CB-CB 4.16Å; L792-V797 HydrophobicContact CB-CG1 4.46Å; L792-V797 HydrophobicContact CD2-CB 4.34Å; L792-V797 HydrophobicContact CD2-CG1 4.39Å; L792-V797 HydrophobicContact CD2-CG2 4.11Å; L792-V797 VanDerWaalsContact O-CB 3.29Å; L792-V797 WeakPolarHBondContact O-CB 3.23Å; L792-V797 PolarHBondContact O-N 3.4Å; L792-I807 HydrophobicContact CD1-CG1 4.46Å; L792-R876 HydrophobicContact CD2-CB 4.44Å; L792-T877 HydrophobicContact CD1-CG2 4.2Å; L792-L880 HydrophobicContact CD2-CD1 3.73Å; L792-L880 HydrophobicContact CG-CD1 3.79Å
793S95.4Very high92.4Very high18 Ų1820.7 Ų20.713%0.12612%0.119CC..Hα-helixtrans-59-43.1174.8175.20000112.1G567 I571 I789 G790 F791 W795 G796G567-S793 WeakPolarHBondContact O-CB 3.49Å; G567-S793 PolarHBondContact O-OG 3.34Å; I571-S793 WeakPolarHBondContact CA-OG 3.39Å; I571-S793 PolarHBondContact N-OG 3.09Å; I789-S793 WeakPolarHBondContact O-CB 3.39Å; I789-S793 PolarHBondContact O-N 3.06Å; I789-S793 VanDerWaalsContact O-N 3.09Å; G790-S793 WeakPolarHBondContact O-CB 3.34Å; G790-S793 PolarHBondContact O-N 3.02Å; F791-S793 VanDerWaalsContact C-N 3.34Å; S793-W795 VanDerWaalsContact C-N 3.28Å; S793-W795 PolarHBondContact O-N 2.96Å; S793-G796 WeakPolarHBondContact O-CA 3.18Å; S793-G796 PolarHBondContact O-N 3.44Å
794V94.5Very high92.1Very high67 Ų6720.6 Ų20.641%0.40612%0.118SC..Hα-helixtrans-64.1-32.3175.1174.40000112.5W566 G790 F791 L792 G796W566-V794 HydrophobicContact CE3-CG2 4.11Å; W566-V794 HydrophobicContact CZ3-CG2 3.71Å; G790-V794 WeakPolarHBondContact O-CG2 3.44Å; G790-V794 PolarHBondContact O-N 3.24Å; F791-V794 PolarHBondContact O-N 2.87Å; L792-V794 VanDerWaalsContact C-N 3.34Å; L792-V794 PolarHBondContact O-N 3.26Å; V794-G796 PolarHBondContact O-N 2.84Å
795W93.3Very high91.8Very high108 Ų10820.9 Ų20.941%0.40912%0.119SC..THydrogen-bonded Turntrans-76.76.9172.1-78.21.4000114.2F791 L792 S793 V797 R876 L879 L880F791-W795 WeakPolarHBondContact O-CB 3.31Å; F791-W795 PolarHBondContact O-N 2.88Å; L792-W795 CarbonylContact O-C 3.56Å; L792-W795 WeakPolarHBondContact O-CA 3.44Å; L792-W795 WeakPolarHBondContact O-CB 3.3Å; L792-W795 PolarHBondContact O-N 2.84Å; L792-W795 VanDerWaalsContact O-N 3.09Å; S793-W795 VanDerWaalsContact C-N 3.28Å; S793-W795 PolarHBondContact O-N 2.96Å; W795-V797 HydrophobicContact CB-CG2 4.4Å; W795-V797 PolarHBondContact O-N 2.89Å; W795-R876 HydrophobicContact CE3-CB 3.76Å; W795-R876 HydrophobicContact CE3-CG 3.77Å; W795-R876 HydrophobicContact CZ3-CB 3.55Å; W795-R876 HydrophobicContact CZ3-CG 3.65Å; W795-L879 HydrophobicContact CH2-CD2 3.99Å; W795-L880 HydrophobicContact CD2-CD1 4.42Å; W795-L880 HydrophobicContact CE3-CD1 3.81Å; W795-L880 HydrophobicContact CE3-CG 4.23Å; W795-L880 HydrophobicContact CH2-CD1 4.32Å; W795-L880 HydrophobicContact CH2-CD2 3.8Å; W795-L880 HydrophobicContact CH2-CG 3.83Å; W795-L880 HydrophobicContact CZ2-CD2 4.05Å; W795-L880 HydrophobicContact CZ3-CD1 3.75Å; W795-L880 HydrophobicContact CZ3-CD2 4.09Å; W795-L880 HydrophobicContact CZ3-CG 3.66Å
796G91.1Very high91.7Very high57 Ų5720.8 Ų20.859%0.58812%0.119SC*.THydrogen-bonded Turntrans72.916.9178.600000113.6L792 S793 V794L792-G796 PolarHBondContact O-N 2.89Å; S793-G796 WeakPolarHBondContact O-CA 3.18Å; S793-G796 PolarHBondContact O-N 3.44Å; V794-G796 PolarHBondContact O-N 2.84Å
797V92.5Very high91.6Very high5 Ų518.8 Ų18.83%0.0311%0.108CC..PPolyproline II helixtrans-78.6128.8174.2177.50000108.5L792 W795 T803 V873L792-V797 HydrophobicContact CB-CB 4.16Å; L792-V797 HydrophobicContact CB-CG1 4.46Å; L792-V797 HydrophobicContact CD2-CB 4.34Å; L792-V797 HydrophobicContact CD2-CG1 4.39Å; L792-V797 HydrophobicContact CD2-CG2 4.11Å; L792-V797 VanDerWaalsContact O-CB 3.29Å; L792-V797 WeakPolarHBondContact O-CB 3.23Å; L792-V797 PolarHBondContact O-N 3.4Å; W795-V797 HydrophobicContact CB-CG2 4.4Å; W795-V797 PolarHBondContact O-N 2.89Å; V797-T803 HydrophobicContact CG1-CG2 3.3Å; V797-V873 HydrophobicContact CG1-CG1 3.79Å; V797-V873 HydrophobicContact CG1-CG2 4.32Å; V797-V873 HydrophobicContact CG2-CG2 4.29Å
798T90.5Very high91.2Very high17 Ų1719.1 Ų19.110%0.10411%0.11CC..PPolyproline II helixtrans-90.7155.2-179.149.80000111.4K572 N574 M579 D800 T803K572-T798 HydrophobicContact CB-CG2 4.42Å; K572-T798 CarbonylContact O-C 3.58Å; K572-T798 VanDerWaalsContact O-CA 3.23Å; K572-T798 WeakPolarHBondContact O-CA 3.35Å; K572-T798 VanDerWaalsContact O-CB 3.26Å; K572-T798 WeakPolarHBondContact O-CB 3.4Å; N574-T798 HydrophobicContact CB-CG2 3.6Å; M579-T798 HydrophobicContact CE-CG2 4.42Å; M579-T798 WeakPolarHBondContact CE-OG1 3.43Å; T798-D800 PolarHBondContact O-N 3.05Å; T798-T803 WeakPolarHBondContact O-CG2 3.32Å; T798-T803 PolarHBondContact O-OG1 3.16Å
799L89Confident90.7Very high13 Ų1319.2 Ų19.27%0.06811%0.11CC..BIsolated β-bridgetrans-75.8119.6172.3-169.766.2000109.4I571 K572 V573 N574 I745 T749 T803 I807I571-L799 HydrophobicContact CD1-CB 3.9Å; I571-L799 HydrophobicContact CD1-CD1 4.2Å; I571-L799 HydrophobicContact CG1-CB 4.05Å; K572-L799 PolarHBondContact O-N 3.29Å; V573-L799 WeakPolarHBondContact CA-O 3.31Å; V573-L799 HydrophobicContact CG2-CB 4.33Å; V573-L799 HydrophobicContact CG2-CD2 4.39Å; N574-L799 PolarHBondContact N-O 3.43Å; I745-L799 HydrophobicContact CG2-CD2 3.8Å; I745-L799 HydrophobicContact CG2-CG 3.62Å; T749-L799 HydrophobicContact CG2-CD1 4.06Å; L799-T803 WeakPolarHBondContact CA-OG1 3.46Å; L799-I807 HydrophobicContact CD1-CD1 3.98Å
800D86.5Confident90.4Very high7 Ų717.8 Ų17.84%0.03710%0.103CC..  trans-150.9171.7-17667.653.3000108M575 T798 I802 T803 M804 Y869M575-D800 HydrophobicContact SD-CB 4.04Å; T798-D800 PolarHBondContact O-N 3.05Å; D800-I802 PolarHBondContact O-N 2.9Å; D800-I802 VanDerWaalsContact OD1-CA 3.3Å; D800-I802 WeakPolarHBondContact OD1-CA 3.4Å; D800-I802 WeakPolarHBondContact OD1-CB 3.45Å; D800-I802 PolarHBondContact OD1-N 3.28Å; D800-T803 PolarHBondContact N-OG1 2.58Å; D800-T803 PolarHBondContact O-N 3.34Å; D800-T803 PolarHBondContact O-OG1 2.97Å; D800-T803 PolarHBondContact OD1-N 3.04Å; D800-T803 PolarHBondContact OD1-OG1 3.43Å; D800-M804 WeakPolarHBondContact O-CB 3.22Å; D800-M804 PolarHBondContact O-N 3.21Å; D800-Y869 PolarHBondContact OD2-OH 3.32Å
801P83.4Confident90.1Very high5 Ų517.8 Ų17.83%0.03210%0.103CC..Hα-helixtrans-63.2-29.6-178.1-18.629000113.7Y61 T408 I411 M575 Q741 I745 I805Y61-P801 HydrophobicContact CD1-CB 4.29Å; Y61-P801 HydrophobicContact CD1-CG 4.17Å; T408-P801 HydrophobicContact CG2-CB 4.42Å; I411-P801 HydrophobicContact CD1-CB 4.1Å; M575-P801 HydrophobicContact CE-CG 4.16Å; Q741-P801 HydrophobicContact CG-CG 4.35Å; I745-P801 HydrophobicContact CD1-CG 4.02Å; I745-P801 HydrophobicContact CG1-CG 4.47Å; P801-I805 WeakPolarHBondContact O-CG1 3.41Å; P801-I805 PolarHBondContact O-N 3.06Å; P801-I805 VanDerWaalsContact O-N 3.14Å
802I86.4Confident89.5Confident5 Ų515.7 Ų15.73%0.0269%0.094CC..Hα-helixtrans-70.6-46.1177.4-54.9-57.6000109.1Y61 I342 L580 D800 M804 I805 N806 V870Y61-I802 HydrophobicContact CE1-CD1 4.09Å; I342-I802 HydrophobicContact CD1-CD1 3.49Å; I342-I802 VanDerWaalsContact CD1-CD1 3.49Å; I342-I802 HydrophobicContact CG1-CD1 3.65Å; L580-I802 HydrophobicContact CD2-CD1 4.14Å; L580-I802 HydrophobicContact CD2-CG1 3.96Å; D800-I802 PolarHBondContact O-N 2.9Å; D800-I802 VanDerWaalsContact OD1-CA 3.3Å; D800-I802 WeakPolarHBondContact OD1-CA 3.4Å; D800-I802 WeakPolarHBondContact OD1-CB 3.45Å; D800-I802 PolarHBondContact OD1-N 3.28Å; I802-M804 VanDerWaalsContact C-N 3.28Å; I802-M804 PolarHBondContact O-N 3.11Å; I802-I805 WeakPolarHBondContact O-CB 3.31Å; I802-I805 PolarHBondContact O-N 3Å; I802-N806 PolarHBondContact O-N 3.3Å; I802-N806 PolarHBondContact O-ND2 2.83Å; I802-V870 HydrophobicContact CD1-CG1 4.08Å; I802-V870 HydrophobicContact CG1-CG1 4.19Å; I802-V870 HydrophobicContact CG1-CG2 4.4Å; I802-V870 HydrophobicContact CG2-CG1 3.81Å
803T90.1Very high88.9Confident3 Ų315.9 Ų15.92%0.0189%0.094CC..Hα-helixtrans-67.9-31.6177.552.90000111.8V797 T798 L799 D800 N806 I807 V873V797-T803 HydrophobicContact CG1-CG2 3.3Å; T798-T803 WeakPolarHBondContact O-CG2 3.32Å; T798-T803 PolarHBondContact O-OG1 3.16Å; L799-T803 WeakPolarHBondContact CA-OG1 3.46Å; D800-T803 PolarHBondContact N-OG1 2.58Å; D800-T803 PolarHBondContact O-N 3.34Å; D800-T803 PolarHBondContact O-OG1 2.97Å; D800-T803 PolarHBondContact OD1-N 3.04Å; D800-T803 PolarHBondContact OD1-OG1 3.43Å; T803-N806 PolarHBondContact O-N 3.33Å; T803-I807 WeakPolarHBondContact O-CD1 3.42Å; T803-I807 WeakPolarHBondContact O-CG1 3.33Å; T803-I807 PolarHBondContact O-N 3.47Å; T803-V873 HydrophobicContact CG2-CG1 3.53Å
804M88.7Confident88.3Confident1 Ų115.2 Ų15.21%0.0059%0.09CC..Hα-helixtrans-59.4-48.6170-167.2-169.9110.700112S406 I411 N748 T749 T752 D800 I802 N806 I807 I808S406-M804 WeakPolarHBondContact OG-CE 3.44Å; I411-M804 HydrophobicContact CD1-CE 3.28Å; I411-M804 HydrophobicContact CD1-SD 3.89Å; I411-M804 HydrophobicContact CG2-CE 4.09Å; N748-M804 HydrophobicContact CB-SD 4.41Å; T749-M804 HydrophobicContact CG2-CG 4.21Å; T749-M804 WeakPolarHBondContact OG1-CG 3.35Å; T752-M804 HydrophobicContact CG2-CE 4.26Å; D800-M804 WeakPolarHBondContact O-CB 3.22Å; D800-M804 PolarHBondContact O-N 3.21Å; I802-M804 VanDerWaalsContact C-N 3.28Å; I802-M804 PolarHBondContact O-N 3.11Å; M804-N806 VanDerWaalsContact C-N 3.27Å; M804-N806 PolarHBondContact O-N 3.44Å; M804-I807 PolarHBondContact O-N 3.5Å; M804-I808 HydrophobicContact CE-CD1 3.93Å; M804-I808 WeakPolarHBondContact O-CG1 3.37Å; M804-I808 PolarHBondContact O-N 3.43Å
805I86.8Confident87.8Confident6 Ų612.1 Ų12.13%0.0317%0.071CC..Hα-helixtrans-55.2-46.9172.6-71.9163.8000110.3I342 I411 F414 P801 I802 I807 I808 M809I342-I805 HydrophobicContact CG2-CD1 3.99Å; I411-I805 HydrophobicContact CB-CD1 4.34Å; I411-I805 HydrophobicContact CB-CG1 4.13Å; I411-I805 HydrophobicContact CD1-CG1 4.13Å; I411-I805 HydrophobicContact CG1-CD1 3.81Å; I411-I805 HydrophobicContact CG1-CG1 3.74Å; I411-I805 HydrophobicContact CG2-CG1 3.85Å; F414-I805 HydrophobicContact CB-CD1 4.35Å; F414-I805 HydrophobicContact CD1-CD1 4.31Å; F414-I805 HydrophobicContact CD1-CG1 4.3Å; F414-I805 HydrophobicContact CD1-CG2 3.5Å; F414-I805 VanDerWaalsContact CD1-CG2 3.5Å; F414-I805 HydrophobicContact CE1-CG2 3.23Å; F414-I805 HydrophobicContact CE2-CG2 4.4Å; F414-I805 HydrophobicContact CG-CD1 4.3Å; F414-I805 HydrophobicContact CG-CG2 4.21Å; F414-I805 HydrophobicContact CZ-CG2 3.73Å; P801-I805 WeakPolarHBondContact O-CG1 3.41Å; P801-I805 PolarHBondContact O-N 3.06Å; P801-I805 VanDerWaalsContact O-N 3.14Å; I802-I805 WeakPolarHBondContact O-CB 3.31Å; I802-I805 PolarHBondContact O-N 3Å; I805-I807 VanDerWaalsContact C-N 3.33Å; I805-I807 PolarHBondContact O-N 3.03Å; I805-I808 PolarHBondContact O-N 2.91Å; I805-M809 WeakPolarHBondContact O-CB 3.38Å; I805-M809 PolarHBondContact O-N 3.31Å
806N90Very high87.2Confident2 Ų27.3 Ų7.31%0.0115%0.053CC..Hα-helixtrans-66.5-34.7-175.9-66.1-23.3000112.6I802 T803 M804 M809 S810 F874 T877I802-N806 PolarHBondContact O-N 3.3Å; I802-N806 PolarHBondContact O-ND2 2.83Å; T803-N806 PolarHBondContact O-N 3.33Å; M804-N806 VanDerWaalsContact C-N 3.27Å; M804-N806 PolarHBondContact O-N 3.44Å; N806-M809 HydrophobicContact CB-CE 4.49Å; N806-M809 PolarHBondContact O-N 2.79Å; N806-S810 PolarHBondContact O-N 3.48Å; N806-F874 WeakPolarHBondContact OD1-CD2 3.28Å; N806-T877 HydrophobicContact CB-CG2 3.73Å; N806-T877 WeakPolarHBondContact CB-OG1 3.3Å; N806-T877 VanDerWaalsContact O-CG2 3.28Å; N806-T877 WeakPolarHBondContact O-CG2 3.39Å
807I90.9Very high87Confident2 Ų25 Ų51%0.013%0.027CC..Hα-helixtrans-69.2-39.8174-65.7159.8000110.5T749 V753 I789 L792 L799 T803 M804 I805 S810T749-I807 HydrophobicContact CG2-CD1 4.42Å; V753-I807 HydrophobicContact CG2-CG2 3.58Å; I789-I807 HydrophobicContact CD1-CG2 3.99Å; I789-I807 HydrophobicContact CG1-CD1 4Å; I789-I807 HydrophobicContact CG1-CG1 4.08Å; I789-I807 HydrophobicContact CG1-CG2 3.95Å; L792-I807 HydrophobicContact CD1-CG1 4.46Å; L799-I807 HydrophobicContact CD1-CD1 3.98Å; T803-I807 WeakPolarHBondContact O-CD1 3.42Å; T803-I807 WeakPolarHBondContact O-CG1 3.33Å; T803-I807 PolarHBondContact O-N 3.47Å; M804-I807 PolarHBondContact O-N 3.5Å; I805-I807 VanDerWaalsContact C-N 3.33Å; I805-I807 PolarHBondContact O-N 3.03Å; I807-S810 WeakPolarHBondContact CA-OG 2.94Å; I807-S810 PolarHBondContact O-N 2.72Å; I807-S810 VanDerWaalsContact O-N 3.16Å; I807-S810 PolarHBondContact O-OG 2.89Å
808I87.7Confident86.7Confident7 Ų74.9 Ų4.94%0.0363%0.026CC..Hα-helixtrans-61.7-47.6173.9-67.7168000109.8L399 M804 I805 S810 L811L399-I808 WeakPolarHBondContact CD2-O 3.49Å; L399-I808 HydrophobicContact CG-CG2 4.36Å; M804-I808 HydrophobicContact CE-CD1 3.93Å; M804-I808 WeakPolarHBondContact O-CG1 3.37Å; M804-I808 PolarHBondContact O-N 3.43Å; I805-I808 PolarHBondContact O-N 2.91Å; I808-S810 PolarHBondContact O-N 3.48Å; I808-L811 VanDerWaalsContact O-CB 3.29Å; I808-L811 WeakPolarHBondContact O-CB 3.21Å; I808-L811 PolarHBondContact O-N 3.05Å; I808-L811 VanDerWaalsContact O-N 3.13Å
809M85.5Confident86.2Confident2 Ų24.8 Ų4.81%0.013%0.026CC..Hα-helixtrans-59.9-29.8175.6179.2-172.862.800112.5L349 F400 I805 N806 L811 D812 F874 V878L349-M809 HydrophobicContact CD1-CG 4.14Å; L349-M809 HydrophobicContact CD1-SD 3.75Å; L349-M809 HydrophobicContact CD2-CG 4.04Å; L349-M809 HydrophobicContact CD2-SD 3.69Å; L349-M809 HydrophobicContact CG-SD 4.29Å; F400-M809 HydrophobicContact CE1-CB 4.38Å; F400-M809 HydrophobicContact CE1-CG 4.46Å; F400-M809 HydrophobicContact CZ-CG 4.42Å; I805-M809 WeakPolarHBondContact O-CB 3.38Å; I805-M809 PolarHBondContact O-N 3.31Å; N806-M809 HydrophobicContact CB-CE 4.49Å; N806-M809 PolarHBondContact O-N 2.79Å; M809-L811 PolarHBondContact O-N 3.35Å; M809-D812 WeakPolarHBondContact O-CB 3.22Å; M809-D812 PolarHBondContact O-N 3.3Å; M809-F874 HydrophobicContact CE-CD2 3.88Å; M809-F874 HydrophobicContact CE-CE1 4.16Å; M809-F874 HydrophobicContact CE-CE2 3.39Å; M809-F874 HydrophobicContact CE-CG 4.44Å; M809-F874 HydrophobicContact CE-CZ 3.54Å; M809-F874 HydrophobicContact SD-CD2 4.31Å; M809-F874 HydrophobicContact SD-CE1 4.22Å; M809-F874 HydrophobicContact SD-CE2 3.26Å; M809-F874 WeakPolarHBondContact SD-CE2 3.39Å; M809-F874 HydrophobicContact SD-CZ 3.2Å; M809-F874 WeakPolarHBondContact SD-CZ 3.49Å; M809-V878 HydrophobicContact CE-CG2 3.48Å; M809-V878 VanDerWaalsContact CE-CG2 3.48Å; M809-V878 HydrophobicContact SD-CG2 4.23Å
810S88.4Confident85.7Confident0 Ų06.2 Ų6.20%03%0.033CC..Hα-helixtrans-66.9-16.8178.666.90000114M784 N806 I807 I808 D812 P814 T881M784-S810 WeakPolarHBondContact CE-O 3.4Å; N806-S810 PolarHBondContact O-N 3.48Å; I807-S810 WeakPolarHBondContact CA-OG 2.94Å; I807-S810 PolarHBondContact O-N 2.72Å; I807-S810 VanDerWaalsContact O-N 3.16Å; I807-S810 PolarHBondContact O-OG 2.89Å; I808-S810 PolarHBondContact O-N 3.48Å; S810-D812 PolarHBondContact O-N 2.95Å; S810-P814 WeakPolarHBondContact O-CD 3.44Å; S810-P814 WeakPolarHBondContact O-CG 3.43Å; S810-T881 WeakPolarHBondContact CB-OG1 3.01Å; S810-T881 VanDerWaalsContact O-CG2 3.26Å; S810-T881 WeakPolarHBondContact O-CG2 3.44Å
811L88.7Confident85.6Confident0 Ų05.9 Ų5.90%03%0.031CC..THydrogen-bonded Turntrans-70.7-15.4177.3-67.4165.9000113.8L399 I757 L781 D785 I808 M809 V815L399-L811 HydrophobicContact CD1-CB 3.45Å; L399-L811 VanDerWaalsContact CD1-CB 3.45Å; L399-L811 HydrophobicContact CD1-CD1 3.67Å; L399-L811 HydrophobicContact CD1-CG 4.17Å; L399-L811 HydrophobicContact CD2-CB 4.02Å; L399-L811 HydrophobicContact CG-CB 4.33Å; I757-L811 HydrophobicContact CD1-CD2 4.47Å; I757-L811 HydrophobicContact CG1-CD2 3.64Å; L781-L811 HydrophobicContact CD1-CD2 3.81Å; L781-L811 HydrophobicContact CD2-CD2 4.27Å; L781-L811 HydrophobicContact CG-CD2 4.05Å; D785-L811 VanDerWaalsContact OD1-CD2 3.3Å; D785-L811 WeakPolarHBondContact OD1-CD2 3.38Å; D785-L811 WeakPolarHBondContact OD2-CD2 3.36Å; I808-L811 VanDerWaalsContact O-CB 3.29Å; I808-L811 WeakPolarHBondContact O-CB 3.21Å; I808-L811 PolarHBondContact O-N 3.05Å; I808-L811 VanDerWaalsContact O-N 3.13Å; M809-L811 PolarHBondContact O-N 3.35Å; L811-V815 VanDerWaalsContact O-CG2 3.22Å; L811-V815 WeakPolarHBondContact O-CG2 3.42Å
812D84.8Confident85.7Confident0 Ų05.7 Ų5.70%03%0.029CC..Hα-helixtrans-77.1-76.4-167.1-153.132000113.3I353 D396 L399 M809 S810 P814 V815 E816I353-D812 WeakPolarHBondContact CD1-OD2 3.19Å; D396-D812 WeakPolarHBondContact CA-OD1 3.3Å; L399-D812 HydrophobicContact CD2-CB 3.63Å; M809-D812 WeakPolarHBondContact O-CB 3.22Å; M809-D812 PolarHBondContact O-N 3.3Å; S810-D812 PolarHBondContact O-N 2.95Å; D812-P814 VanDerWaalsContact C-N 3.28Å; D812-P814 VanDerWaalsContact O-CD 3.24Å; D812-P814 WeakPolarHBondContact O-CD 3.41Å; D812-V815 PolarHBondContact O-N 3.05Å; D812-E816 PolarHBondContact O-N 3.02Å
813F82.3Confident85.2Confident8 Ų88 Ų84%0.0354%0.04CC..Hα-helixtrans-41.6-41.5176-60.7-75.8000115.7L349 I353 E816 Y817 A856 T881 V882L349-F813 HydrophobicContact CD1-CE2 4.32Å; L349-F813 HydrophobicContact CD1-CZ 4.21Å; I353-F813 HydrophobicContact CG1-CE1 4.46Å; I353-F813 HydrophobicContact CG1-CZ 4.48Å; F813-E816 PolarHBondContact O-N 3.48Å; F813-Y817 HydrophobicContact CB-CE2 4.12Å; F813-Y817 VanDerWaalsContact O-CD2 3.22Å; F813-Y817 WeakPolarHBondContact O-CD2 3.31Å; F813-Y817 VanDerWaalsContact O-CG 3.27Å; F813-Y817 PolarHBondContact O-N 2.75Å; F813-Y817 VanDerWaalsContact O-N 3.14Å; F813-A856 HydrophobicContact CE1-CB 3.8Å; F813-A856 HydrophobicContact CZ-CB 4.06Å; F813-T881 HydrophobicContact CB-CG2 4.26Å; F813-T881 HydrophobicContact CD2-CG2 3.96Å; F813-V882 HydrophobicContact CD2-CG2 4.49Å
814P83.1Confident84.6Confident4 Ų49.5 Ų9.53%0.0265%0.05CC..Hα-helixtrans-71.7-33.8-176.2-13.229.6000112.9L781 M784 S810 D812 E816 Y817 A818 T881L781-P814 HydrophobicContact CD1-CB 4.35Å; M784-P814 HydrophobicContact CE-CB 3.94Å; M784-P814 HydrophobicContact CE-CG 3.21Å; M784-P814 HydrophobicContact CG-CG 4.49Å; M784-P814 HydrophobicContact SD-CB 3.5Å; M784-P814 WeakPolarHBondContact SD-CB 3.4Å; M784-P814 HydrophobicContact SD-CG 3.01Å; M784-P814 WeakPolarHBondContact SD-CG 3.5Å; S810-P814 WeakPolarHBondContact O-CD 3.44Å; S810-P814 WeakPolarHBondContact O-CG 3.43Å; D812-P814 VanDerWaalsContact C-N 3.28Å; D812-P814 VanDerWaalsContact O-CD 3.24Å; D812-P814 WeakPolarHBondContact O-CD 3.41Å; P814-E816 VanDerWaalsContact C-N 3.3Å; P814-Y817 PolarHBondContact O-N 3.01Å; P814-A818 WeakPolarHBondContact O-CB 3.41Å; P814-A818 PolarHBondContact O-N 3.48Å; P814-T881 HydrophobicContact CG-CG2 4.14Å
815V84.5Confident84.4Confident2 Ų29.8 Ų9.81%0.0125%0.052CC..Hα-helixtrans-65.4-40.4176.6170.10000109.5T395 M760 L781 L811 D812 A818 S819T395-V815 HydrophobicContact CG2-CG1 4.39Å; M760-V815 HydrophobicContact CB-CG2 3.79Å; M760-V815 HydrophobicContact CG-CG2 3.83Å; M760-V815 HydrophobicContact SD-CG1 4.33Å; M760-V815 HydrophobicContact SD-CG2 4.24Å; L781-V815 HydrophobicContact CD1-CG2 3.69Å; L781-V815 HydrophobicContact CD2-CG2 3.84Å; L781-V815 HydrophobicContact CG-CG2 4.35Å; L811-V815 VanDerWaalsContact O-CG2 3.22Å; L811-V815 WeakPolarHBondContact O-CG2 3.42Å; D812-V815 PolarHBondContact O-N 3.05Å; V815-A818 PolarHBondContact O-N 3.15Å; V815-S819 WeakPolarHBondContact O-CB 3.17Å; V815-S819 PolarHBondContact O-N 3.3Å; V815-S819 PolarHBondContact O-OG 3.09Å
816E81.2Confident84.2Confident7 Ų710.7 Ų10.73%0.0336%0.055CC..Hα-helixtrans-59.5-53.3175.2-54.1-171.4121.800110.6S392 D812 F813 P814 A818 S819 H820S392-E816 WeakPolarHBondContact CB-OE1 3.25Å; S392-E816 PolarHBondContact OG-OE1 2.84Å; D812-E816 PolarHBondContact O-N 3.02Å; F813-E816 PolarHBondContact O-N 3.48Å; P814-E816 VanDerWaalsContact C-N 3.3Å; E816-A818 PolarHBondContact O-N 3.44Å; E816-S819 PolarHBondContact O-N 3.07Å; E816-S819 PolarHBondContact O-OG 2.84Å; E816-S819 VanDerWaalsContact O-OG 3.06Å; E816-H820 VanDerWaalsContact O-CB 3.3Å; E816-H820 WeakPolarHBondContact O-CB 3.35Å; E816-H820 PolarHBondContact O-CD2 2.84Å; E816-H820 PolarHBondContact O-N 3.07Å
817Y85.3Confident83.6Confident9 Ų916.6 Ų16.64%0.0358%0.077CC..Hα-helixtrans-59.4-48.7178.9-59.3-30.4000112.1F813 P814 I821 I849 M886 A889F813-Y817 HydrophobicContact CB-CE2 4.12Å; F813-Y817 VanDerWaalsContact O-CD2 3.22Å; F813-Y817 WeakPolarHBondContact O-CD2 3.31Å; F813-Y817 VanDerWaalsContact O-CG 3.27Å; F813-Y817 PolarHBondContact O-N 2.75Å; F813-Y817 VanDerWaalsContact O-N 3.14Å; P814-Y817 PolarHBondContact O-N 3.01Å; Y817-I821 WeakPolarHBondContact O-CB 3.41Å; Y817-I821 WeakPolarHBondContact O-CD1 3.46Å; Y817-I821 VanDerWaalsContact O-CG1 3.27Å; Y817-I821 WeakPolarHBondContact O-CG1 3.34Å; Y817-I821 PolarHBondContact O-N 3.28Å; Y817-I849 HydrophobicContact CD1-CB 4.38Å; Y817-I849 HydrophobicContact CD1-CG1 4.04Å; Y817-I849 HydrophobicContact CD1-CG2 3.82Å; Y817-I849 HydrophobicContact CE1-CG2 3.93Å; Y817-I849 HydrophobicContact CG-CG2 4.24Å; Y817-M886 HydrophobicContact CE2-CG 4.29Å; Y817-A889 HydrophobicContact CD2-CB 4.37Å; Y817-A889 HydrophobicContact CG-CB 4.17Å
818A87.5Confident83.1Confident3 Ų317.8 Ų17.83%0.0258%0.083CC..Hα-helixtrans-67.1-43.2-17600000111.9V777 T780 P814 V815 E816 C822 L893V777-A818 HydrophobicContact CB-CB 4.43Å; V777-A818 HydrophobicContact CG1-CB 4.18Å; V777-A818 HydrophobicContact CG2-CB 4.08Å; T780-A818 HydrophobicContact CG2-CB 4.26Å; P814-A818 WeakPolarHBondContact O-CB 3.41Å; P814-A818 PolarHBondContact O-N 3.48Å; V815-A818 PolarHBondContact O-N 3.15Å; E816-A818 PolarHBondContact O-N 3.44Å; A818-C822 WeakPolarHBondContact O-CB 3.36Å; A818-C822 PolarHBondContact O-N 2.88Å; A818-C822 PolarHBondContact O-SG 3.42Å; A818-L893 HydrophobicContact CB-CD2 3.9Å
819S80.4Confident82.7Confident15 Ų1520.4 Ų20.411%0.10510%0.1CC..Hα-helixtrans-66.2-43.2178.8690000111.3V815 E816 C822 H823V815-S819 WeakPolarHBondContact O-CB 3.17Å; V815-S819 PolarHBondContact O-N 3.3Å; V815-S819 PolarHBondContact O-OG 3.09Å; E816-S819 PolarHBondContact O-N 3.07Å; E816-S819 PolarHBondContact O-OG 2.84Å; E816-S819 VanDerWaalsContact O-OG 3.06Å; S819-C822 PolarHBondContact O-N 3.39Å; S819-H823 WeakPolarHBondContact O-CB 3.1Å; S819-H823 PolarHBondContact O-N 2.91Å
820H77.5Confident82.4Confident43 Ų4324.5 Ų24.520%0.19913%0.125CC..Hα-helixtrans-61.5-48.1176.5-95-99000112.5L360 E816 C824L360-H820 VanDerWaalsContact CD2-CE1 3.46Å; L360-H820 WeakPolarHBondContact CD2-CE1 3.22Å; E816-H820 VanDerWaalsContact O-CB 3.3Å; E816-H820 WeakPolarHBondContact O-CB 3.35Å; E816-H820 PolarHBondContact O-CD2 2.84Å; E816-H820 PolarHBondContact O-N 3.07Å; H820-C824 WeakPolarHBondContact O-CB 3.46Å; H820-C824 PolarHBondContact O-N 3.27Å; H820-C824 PolarHBondContact O-SG 3.14Å
821I85.1Confident82Confident0 Ų032.3 Ų32.30%016%0.162CC..Hα-helixtrans-61.2-50.8178.5-74.3162.8000110.4Y817 H823 C824 F825 L841 V845 I849 A889 L893 L897Y817-I821 WeakPolarHBondContact O-CB 3.41Å; Y817-I821 WeakPolarHBondContact O-CD1 3.46Å; Y817-I821 VanDerWaalsContact O-CG1 3.27Å; Y817-I821 WeakPolarHBondContact O-CG1 3.34Å; Y817-I821 PolarHBondContact O-N 3.28Å; I821-H823 PolarHBondContact O-N 2.99Å; I821-C824 PolarHBondContact O-N 3.05Å; I821-F825 WeakPolarHBondContact O-CB 3.24Å; I821-F825 PolarHBondContact O-N 2.84Å; I821-L841 HydrophobicContact CG2-CD1 4.32Å; I821-L841 HydrophobicContact CG2-CD2 4.03Å; I821-L841 WeakPolarHBondContact O-CD1 3.2Å; I821-V845 HydrophobicContact CG1-CG2 3.89Å; I821-I849 HydrophobicContact CD1-CD1 3.81Å; I821-I849 HydrophobicContact CG1-CD1 3.81Å; I821-A889 HydrophobicContact CD1-CB 3.51Å; I821-A889 WeakPolarHBondContact CD1-O 3.47Å; I821-L893 HydrophobicContact CB-CD2 3.97Å; I821-L893 HydrophobicContact CD1-CD2 4.1Å; I821-L893 HydrophobicContact CG2-CD2 3.83Å; I821-L893 HydrophobicContact CG2-CG 4.01Å; I821-L897 HydrophobicContact CG2-CD1 3.8Å
822C84.5Confident81.7Confident0 Ų033.3 Ų33.30%017%0.167CC..Hα-helixtrans-65.7-43.8-177.4-63.10000111.1S773 V777 A818 S819 C824 F825 Y826S773-C822 WeakPolarHBondContact OG-CB 3.05Å; V777-C822 HydrophobicContact CG2-CB 4.29Å; A818-C822 WeakPolarHBondContact O-CB 3.36Å; A818-C822 PolarHBondContact O-N 2.88Å; A818-C822 PolarHBondContact O-SG 3.42Å; S819-C822 PolarHBondContact O-N 3.39Å; C822-C824 VanDerWaalsContact C-N 3.34Å; C822-C824 PolarHBondContact O-N 3.37Å; C822-F825 PolarHBondContact O-N 3.31Å; C822-Y826 WeakPolarHBondContact O-CD2 3.46Å; C822-Y826 PolarHBondContact O-N 3.17Å
823H76.4Confident81.8Confident53 Ų5336.9 Ų36.925%0.24519%0.189CC..Hα-helixtrans-58.5-44177.3177.2-109.2000112.1I768 S819 I821 R827I768-H823 HydrophobicContact CD1-CB 4.45Å; S819-H823 WeakPolarHBondContact O-CB 3.1Å; S819-H823 PolarHBondContact O-N 2.91Å; I821-H823 PolarHBondContact O-N 2.99Å; H823-R827 PolarHBondContact CE1-NE 3.04Å; H823-R827 PolarHBondContact CE1-NH2 2.84Å; H823-R827 VanDerWaalsContact NE2-CZ 3.31Å; H823-R827 PolarHBondContact NE2-NE 3.03Å; H823-R827 PolarHBondContact NE2-NH2 3.03Å; H823-R827 PolarHBondContact O-N 3.48Å
824C78.2Confident82Confident35 Ų3539.8 Ų39.824%0.23620%0.202CC..Hα-helixtrans-65.3-45.4175.6-70.30000112H820 I821 C822 Y826 R827 L828 L841 V845H820-C824 WeakPolarHBondContact O-CB 3.46Å; H820-C824 PolarHBondContact O-N 3.27Å; H820-C824 PolarHBondContact O-SG 3.14Å; I821-C824 PolarHBondContact O-N 3.05Å; C822-C824 VanDerWaalsContact C-N 3.34Å; C822-C824 PolarHBondContact O-N 3.37Å; C824-Y826 VanDerWaalsContact C-N 3.29Å; C824-Y826 PolarHBondContact O-N 3.13Å; C824-R827 PolarHBondContact O-N 3.38Å; C824-R827 VanDerWaalsContact O-N 3.12Å; C824-L828 PolarHBondContact O-N 3.41Å; C824-L841 HydrophobicContact CB-CD1 3.85Å; C824-V845 HydrophobicContact CB-CG1 3.85Å; C824-V845 WeakPolarHBondContact SG-CG1 3.48Å
825F84.6Confident82.2Confident8 Ų841.1 Ų41.14%0.03521%0.213CC..Hα-helixtrans-57.1-41.1179.9-178.2-101.7000112.6I821 C822 R827 L828 K837 L841 L897 V898 A901I821-F825 WeakPolarHBondContact O-CB 3.24Å; I821-F825 PolarHBondContact O-N 2.84Å; C822-F825 PolarHBondContact O-N 3.31Å; F825-R827 VanDerWaalsContact C-N 3.35Å; F825-R827 PolarHBondContact O-N 3.06Å; F825-L828 HydrophobicContact CD2-CD1 4.38Å; F825-L828 WeakPolarHBondContact O-CB 3.43Å; F825-L828 PolarHBondContact O-N 2.98Å; F825-K837 HydrophobicContact CE2-CB 4.2Å; F825-K837 HydrophobicContact CE2-CD 4.49Å; F825-L841 HydrophobicContact CB-CD1 4.14Å; F825-L841 HydrophobicContact CB-CD2 4.37Å; F825-L841 HydrophobicContact CD2-CD2 4.01Å; F825-L897 HydrophobicContact CB-CD1 4.08Å; F825-L897 HydrophobicContact CD1-CB 4.06Å; F825-L897 HydrophobicContact CD1-CD1 4.24Å; F825-L897 HydrophobicContact CD1-CD2 4.31Å; F825-L897 HydrophobicContact CD1-CG 4.45Å; F825-L897 HydrophobicContact CD2-CB 4.28Å; F825-L897 HydrophobicContact CE1-CB 3.9Å; F825-L897 HydrophobicContact CE2-CB 4.12Å; F825-L897 HydrophobicContact CG-CB 4.23Å; F825-L897 HydrophobicContact CG-CD1 4.06Å; F825-L897 HydrophobicContact CZ-CB 3.92Å; F825-L897 WeakPolarHBondContact CZ-O 3.46Å; F825-V898 HydrophobicContact CE2-CG2 3.82Å; F825-V898 HydrophobicContact CZ-CG2 4.46Å; F825-A901 HydrophobicContact CZ-CB 4.17Å
826Y81.6Confident82.4Confident24 Ų2445.2 Ų45.29%0.09423%0.232CC..Hα-helixtrans-76.3-19-179.9-77-70.1000114.8H770 H772 C822 C824 L828 L897 R909H770-Y826 HydrophobicContact CB-CD1 4.31Å; H770-Y826 HydrophobicContact CB-CD2 4.22Å; H770-Y826 HydrophobicContact CB-CE1 4.42Å; H770-Y826 HydrophobicContact CB-CE2 4.36Å; H770-Y826 HydrophobicContact CB-CG 4.25Å; H770-Y826 WeakPolarHBondContact CD2-CB 3.46Å; H770-Y826 AromaticContact CD2-CD1 3.78Å; H770-Y826 AromaticContact CD2-CD2 3.99Å; H770-Y826 AromaticContact CD2-CG 3.41Å; H770-Y826 VanDerWaalsContact CD2-CG 3.41Å; H770-Y826 AromaticContact CG-CD1 3.89Å; H770-Y826 AromaticContact CG-CG 3.88Å; H772-Y826 AromaticContact ND1-CZ 3.95Å; H772-Y826 PolarHBondContact ND1-OH 3.38Å; C822-Y826 WeakPolarHBondContact O-CD2 3.46Å; C822-Y826 PolarHBondContact O-N 3.17Å; C824-Y826 VanDerWaalsContact C-N 3.29Å; C824-Y826 PolarHBondContact O-N 3.13Å; Y826-L828 VanDerWaalsContact C-N 3.34Å; Y826-L897 HydrophobicContact CE2-CD2 4.49Å; Y826-R909 PolarHBondContact O-NH1 3.03Å
827R77.1Confident82.7Confident127 Ų12746.2 Ų46.248%0.47924%0.236SC..Hα-helixtrans-80.6-13.6171.9-74.3-173.2177.2-1592113.4H823 C824 F825H823-R827 PolarHBondContact CE1-NE 3.04Å; H823-R827 PolarHBondContact CE1-NH2 2.84Å; H823-R827 VanDerWaalsContact NE2-CZ 3.31Å; H823-R827 PolarHBondContact NE2-NE 3.03Å; H823-R827 PolarHBondContact NE2-NH2 3.03Å; H823-R827 PolarHBondContact O-N 3.48Å; C824-R827 PolarHBondContact O-N 3.38Å; C824-R827 VanDerWaalsContact O-N 3.12Å; F825-R827 VanDerWaalsContact C-N 3.35Å; F825-R827 PolarHBondContact O-N 3.06Å
828L81.2Confident82.9Confident27 Ų2745.8 Ų45.814%0.14124%0.235CC..SBendtrans-65.3141.8177.1-65.5174.6000111.2C824 F825 Y826 L832 K837 K840 L841C824-L828 PolarHBondContact O-N 3.41Å; F825-L828 HydrophobicContact CD2-CD1 4.38Å; F825-L828 WeakPolarHBondContact O-CB 3.43Å; F825-L828 PolarHBondContact O-N 2.98Å; Y826-L828 VanDerWaalsContact C-N 3.34Å; L828-L832 HydrophobicContact CB-CD1 4.31Å; L828-K837 HydrophobicContact CD1-CB 4.24Å; L828-K837 HydrophobicContact CD1-CG 4.36Å; L828-K837 WeakPolarHBondContact CD1-O 3.28Å; L828-K840 HydrophobicContact CD2-CB 3.88Å; L828-L841 HydrophobicContact CD1-CB 4.19Å
829P80Confident82.9Confident61 Ų6147.9 Ų47.940%0.39625%0.246SC..  trans-51.7140.2174.2-24.729.7000112.5E831 L832 K837P829-E831 VanDerWaalsContact C-N 3.26Å; P829-E831 VanDerWaalsContact CB-OE2 3.29Å; P829-E831 WeakPolarHBondContact CB-OE2 3.44Å; P829-E831 PolarHBondContact O-N 2.82Å; P829-L832 HydrophobicContact CB-CD1 4.06Å; P829-L832 HydrophobicContact CB-CG 4.16Å; P829-L832 HydrophobicContact CG-CD1 4.03Å; P829-L832 PolarHBondContact O-N 2.89Å; P829-K837 WeakPolarHBondContact O-CE 3.44Å
830V77.4Confident83.2Confident88 Ų8851.7 Ų51.753%0.53326%0.26SS..THydrogen-bonded Turntrans-69.4-31.7-172.9178.80000110.9L832 K837V830-L832 PolarHBondContact O-N 3.46Å; V830-K837 PolarHBondContact O-NZ 2.78Å
831E80.6Confident83.6Confident164 Ų16449.7 Ų49.777%0.76625%0.251SS*.THydrogen-bonded Turntrans-68.2-18.3-174.8-54.575.3-16100113P829P829-E831 VanDerWaalsContact C-N 3.26Å; P829-E831 VanDerWaalsContact CB-OE2 3.29Å; P829-E831 WeakPolarHBondContact CB-OE2 3.44Å; P829-E831 PolarHBondContact O-N 2.82Å
832L83.3Confident83.8Confident21 Ų2149.7 Ų49.711%0.1125%0.251CS..SBendtrans-66.2138.3-179.8-65.8167000111.5L828 P829 V830 E836 K837 K840L828-L832 HydrophobicContact CB-CD1 4.31Å; P829-L832 HydrophobicContact CB-CD1 4.06Å; P829-L832 HydrophobicContact CB-CG 4.16Å; P829-L832 HydrophobicContact CG-CD1 4.03Å; P829-L832 PolarHBondContact O-N 2.89Å; V830-L832 PolarHBondContact O-N 3.46Å; L832-E836 HydrophobicContact CB-CB 4.18Å; L832-E836 HydrophobicContact CD2-CB 4Å; L832-K837 HydrophobicContact CB-CD 4.45Å; L832-K837 HydrophobicContact CB-CG 3.7Å; L832-K837 HydrophobicContact CD1-CG 4.48Å; L832-K837 WeakPolarHBondContact O-CE 3.49Å; L832-K837 PolarHBondContact O-NZ 3.01Å; L832-K840 HydrophobicContact CD1-CD 3.79Å; L832-K840 HydrophobicContact CD2-CD 4.37Å; L832-K840 VanDerWaalsContact CD2-NZ 3.28Å
833T87.1Confident83.7Confident76 Ų7650.8 Ų50.847%0.46626%0.26SS..  trans-62.3162.3171.364.90000110.9A835 E836 K837T833-A835 VanDerWaalsContact C-N 3.25Å; T833-A835 PolarHBondContact O-N 3.02Å; T833-E836 WeakPolarHBondContact CB-OE2 3.38Å; T833-E836 WeakPolarHBondContact CG2-OE2 3.17Å; T833-E836 PolarHBondContact N-OE2 3.47Å; T833-E836 PolarHBondContact O-N 3.29Å; T833-E836 WeakPolarHBondContact OG1-CB 3.23Å; T833-E836 VanDerWaalsContact OG1-CD 3.22Å; T833-E836 WeakPolarHBondContact OG1-CG 3.39Å; T833-E836 PolarHBondContact OG1-N 3.14Å; T833-E836 PolarHBondContact OG1-OE2 3.33Å; T833-K837 WeakPolarHBondContact O-CB 3.3Å; T833-K837 WeakPolarHBondContact O-CG 3.36Å; T833-K837 PolarHBondContact O-N 2.97Å
834K86.5Confident83.6Confident68 Ų6850.4 Ų50.430%0.29627%0.266SS..Hα-helixtrans-54.9-41.7176-78.9-170.1174.4-173.60112.7K837 L838 V898 S899 N902K834-K837 PolarHBondContact O-N 2.95Å; K834-L838 PolarHBondContact O-N 3.25Å; K834-L838 VanDerWaalsContact O-N 3.11Å; K834-V898 HydrophobicContact CB-CG1 3.55Å; K834-V898 HydrophobicContact CD-CG1 3.99Å; K834-V898 WeakPolarHBondContact CD-O 3.48Å; K834-V898 WeakPolarHBondContact CE-O 3.35Å; K834-V898 HydrophobicContact CG-CG1 3.83Å; K834-V898 PolarHBondContact NZ-O 3.36Å; K834-S899 PolarHBondContact NZ-O 3.42Å; K834-S899 VanDerWaalsContact NZ-O 3.16Å; K834-N902 WeakPolarHBondContact CE-ND2 3.43Å; K834-N902 WeakPolarHBondContact CE-OD1 3.3Å; K834-N902 PolarHBondContact NZ-ND2 3.48Å; K834-N902 VanDerWaalsContact NZ-ND2 3.19Å
835A87.1Confident83.6Confident33 Ų3349.2 Ų49.227%0.27326%0.258SS..Hα-helixtrans-66.6-46.6179.400000111.7N545 T833 K837 L838 D839N545-A835 VanDerWaalsContact ND2-CB 3.32Å; N545-A835 WeakPolarHBondContact ND2-CB 3.26Å; T833-A835 VanDerWaalsContact C-N 3.25Å; T833-A835 PolarHBondContact O-N 3.02Å; A835-K837 VanDerWaalsContact C-N 3.31Å; A835-K837 PolarHBondContact O-N 3.22Å; A835-L838 PolarHBondContact O-N 2.89Å; A835-D839 PolarHBondContact O-N 3.15Å
836E87.9Confident83.5Confident87 Ų8748.9 Ų48.941%0.40726%0.256SS..Hα-helixtrans-66.6-32.6177.7-68.1165.8144.900112.6L832 T833 K840L832-E836 HydrophobicContact CB-CB 4.18Å; L832-E836 HydrophobicContact CD2-CB 4Å; T833-E836 WeakPolarHBondContact CB-OE2 3.38Å; T833-E836 WeakPolarHBondContact CG2-OE2 3.17Å; T833-E836 PolarHBondContact N-OE2 3.47Å; T833-E836 PolarHBondContact O-N 3.29Å; T833-E836 WeakPolarHBondContact OG1-CB 3.23Å; T833-E836 VanDerWaalsContact OG1-CD 3.22Å; T833-E836 WeakPolarHBondContact OG1-CG 3.39Å; T833-E836 PolarHBondContact OG1-N 3.14Å; T833-E836 PolarHBondContact OG1-OE2 3.33Å; E836-K840 WeakPolarHBondContact O-CB 3.36Å; E836-K840 WeakPolarHBondContact O-CG 3.28Å; E836-K840 PolarHBondContact O-N 2.54Å
837K87.6Confident83.6Confident28 Ų2850.8 Ų50.812%0.12226%0.263CS..Hα-helixtrans-64.4-43.4173.3-78.2176.2176.1141.90111.2F825 L828 P829 V830 L832 T833 K834 A835 L841F825-K837 HydrophobicContact CE2-CB 4.2Å; F825-K837 HydrophobicContact CE2-CD 4.49Å; L828-K837 HydrophobicContact CD1-CB 4.24Å; L828-K837 HydrophobicContact CD1-CG 4.36Å; L828-K837 WeakPolarHBondContact CD1-O 3.28Å; P829-K837 WeakPolarHBondContact O-CE 3.44Å; V830-K837 PolarHBondContact O-NZ 2.78Å; L832-K837 HydrophobicContact CB-CD 4.45Å; L832-K837 HydrophobicContact CB-CG 3.7Å; L832-K837 HydrophobicContact CD1-CG 4.48Å; L832-K837 WeakPolarHBondContact O-CE 3.49Å; L832-K837 PolarHBondContact O-NZ 3.01Å; T833-K837 WeakPolarHBondContact O-CB 3.3Å; T833-K837 WeakPolarHBondContact O-CG 3.36Å; T833-K837 PolarHBondContact O-N 2.97Å; K834-K837 PolarHBondContact O-N 2.95Å; A835-K837 VanDerWaalsContact C-N 3.31Å; A835-K837 PolarHBondContact O-N 3.22Å; K837-L841 WeakPolarHBondContact O-CB 3.02Å; K837-L841 PolarHBondContact O-N 2.84Å
838L90Very high83.7Confident1 Ų146.3 Ų46.31%0.00525%0.251CS..Hα-helixtrans-63.7-46.4177-173.660.8000111.4L544 K834 A835 L841 L842 P894 V898L544-L838 HydrophobicContact CB-CD2 3.95Å; K834-L838 PolarHBondContact O-N 3.25Å; K834-L838 VanDerWaalsContact O-N 3.11Å; A835-L838 PolarHBondContact O-N 2.89Å; L838-L841 PolarHBondContact O-N 3.27Å; L838-L842 HydrophobicContact CD1-CD1 3.81Å; L838-L842 HydrophobicContact CD1-CG 4.19Å; L838-L842 HydrophobicContact CG-CD1 3.96Å; L838-L842 WeakPolarHBondContact O-CG 3.43Å; L838-L842 PolarHBondContact O-N 2.66Å; L838-P894 HydrophobicContact CD1-CB 3.63Å; L838-V898 HydrophobicContact CB-CG2 4.13Å; L838-V898 HydrophobicContact CD1-CG2 4.25Å
839D87.9Confident83.9Confident47 Ų4745.5 Ų45.525%0.25125%0.247SC..Hα-helixtrans-61-51.7-179.5176.266000111.6S538 S541 A835 L841 L842 A843S538-D839 WeakPolarHBondContact CA-OD1 3.29Å; S538-D839 WeakPolarHBondContact CB-OD1 3.36Å; S538-D839 PolarHBondContact OG-OD1 3.09Å; S541-D839 WeakPolarHBondContact OG-CA 3.4Å; S541-D839 PolarHBondContact OG-N 2.89Å; A835-D839 PolarHBondContact O-N 3.15Å; D839-L841 VanDerWaalsContact C-N 3.32Å; D839-L841 PolarHBondContact O-N 2.86Å; D839-L842 PolarHBondContact O-N 3.28Å; D839-A843 WeakPolarHBondContact O-CB 3.46Å; D839-A843 PolarHBondContact O-N 3.22Å
840K85.1Confident84.2Confident94 Ų9445.3 Ų45.341%0.40924%0.242SC..Hα-helixtrans-66.4-33.6179.3-71.1-175.9-177.7176.80113L828 L832 E836 A844L828-K840 HydrophobicContact CD2-CB 3.88Å; L832-K840 HydrophobicContact CD1-CD 3.79Å; L832-K840 HydrophobicContact CD2-CD 4.37Å; L832-K840 VanDerWaalsContact CD2-NZ 3.28Å; E836-K840 WeakPolarHBondContact O-CB 3.36Å; E836-K840 WeakPolarHBondContact O-CG 3.28Å; E836-K840 PolarHBondContact O-N 2.54Å; K840-A844 VanDerWaalsContact O-CB 3.28Å; K840-A844 WeakPolarHBondContact O-CB 3.3Å; K840-A844 PolarHBondContact O-N 2.91Å
841L87Confident84.5Confident1 Ų142.4 Ų42.41%0.00522%0.223CC..Hα-helixtrans-63.4-58174.7176.364.7000109.9I821 C824 F825 L828 K837 L838 D839 A843 A844 V845 P894I821-L841 HydrophobicContact CG2-CD1 4.32Å; I821-L841 HydrophobicContact CG2-CD2 4.03Å; I821-L841 WeakPolarHBondContact O-CD1 3.2Å; C824-L841 HydrophobicContact CB-CD1 3.85Å; F825-L841 HydrophobicContact CB-CD1 4.14Å; F825-L841 HydrophobicContact CB-CD2 4.37Å; F825-L841 HydrophobicContact CD2-CD2 4.01Å; L828-L841 HydrophobicContact CD1-CB 4.19Å; K837-L841 WeakPolarHBondContact O-CB 3.02Å; K837-L841 PolarHBondContact O-N 2.84Å; L838-L841 PolarHBondContact O-N 3.27Å; D839-L841 VanDerWaalsContact C-N 3.32Å; D839-L841 PolarHBondContact O-N 2.86Å; L841-A843 VanDerWaalsContact C-N 3.34Å; L841-A843 PolarHBondContact O-N 3.34Å; L841-A844 WeakPolarHBondContact O-CB 3.38Å; L841-A844 PolarHBondContact O-N 3.41Å; L841-V845 HydrophobicContact CD1-CG2 4.1Å; L841-V845 HydrophobicContact CG-CG2 4.38Å; L841-V845 WeakPolarHBondContact O-CG2 3.1Å; L841-V845 PolarHBondContact O-N 3.29Å; L841-P894 HydrophobicContact CD2-CB 4.07Å; L841-P894 HydrophobicContact CD2-CG 4.45Å
842L88.2Confident84.7Confident1 Ų134.8 Ų34.81%0.00519%0.188CC..Hα-helixtrans-65.1-36.6-176-69.2174000112.5F537 Y540 L544 L838 D839 A844 G846 P894F537-L842 HydrophobicContact CD1-CB 4.33Å; Y540-L842 HydrophobicContact CD1-CD1 3.99Å; Y540-L842 HydrophobicContact CE1-CD1 4.11Å; L544-L842 HydrophobicContact CD1-CD1 3.74Å; L838-L842 HydrophobicContact CD1-CD1 3.81Å; L838-L842 HydrophobicContact CD1-CG 4.19Å; L838-L842 HydrophobicContact CG-CD1 3.96Å; L838-L842 WeakPolarHBondContact O-CG 3.43Å; L838-L842 PolarHBondContact O-N 2.66Å; D839-L842 PolarHBondContact O-N 3.28Å; L842-A844 PolarHBondContact O-N 3.28Å; L842-G846 WeakPolarHBondContact O-CA 3.37Å; L842-G846 PolarHBondContact O-N 3.19Å; L842-P894 HydrophobicContact CD2-CG 4.2Å
843A82.6Confident85.1Confident22 Ų2233.8 Ų33.818%0.18218%0.182CC..Hα-helixtrans-64.4-26.7173.900000113.1Q528 D839 L841Q528-A843 PolarHBondContact NE2-O 2.84Å; D839-A843 WeakPolarHBondContact O-CB 3.46Å; D839-A843 PolarHBondContact O-N 3.22Å; L841-A843 VanDerWaalsContact C-N 3.34Å; L841-A843 PolarHBondContact O-N 3.34Å
844A74.8Confident85.3Confident45 Ų4532.5 Ų32.537%0.37218%0.175SC..Hα-helixtrans-86.1-44.7179.400000113.1K840 L841 L842K840-A844 VanDerWaalsContact O-CB 3.28Å; K840-A844 WeakPolarHBondContact O-CB 3.3Å; K840-A844 PolarHBondContact O-N 2.91Å; L841-A844 WeakPolarHBondContact O-CB 3.38Å; L841-A844 PolarHBondContact O-N 3.41Å; L842-A844 PolarHBondContact O-N 3.28Å
845V77.8Confident85.5Confident11 Ų1129.3 Ų29.37%0.06716%0.161CC..Hα-helixtrans-109.7-16.3-171.5-57.40000114.9I821 C824 L841 W847 P848 I849I821-V845 HydrophobicContact CG1-CG2 3.89Å; C824-V845 HydrophobicContact CB-CG1 3.85Å; C824-V845 WeakPolarHBondContact SG-CG1 3.48Å; L841-V845 HydrophobicContact CD1-CG2 4.1Å; L841-V845 HydrophobicContact CG-CG2 4.38Å; L841-V845 WeakPolarHBondContact O-CG2 3.1Å; L841-V845 PolarHBondContact O-N 3.29Å; V845-W847 PolarHBondContact O-N 3.05Å; V845-P848 WeakPolarHBondContact O-CD 3.32Å; V845-I849 HydrophobicContact CB-CD1 4.02Å; V845-I849 HydrophobicContact CG2-CD1 4Å; V845-I849 WeakPolarHBondContact O-CD1 3.46Å; V845-I849 VanDerWaalsContact O-CG1 3.27Å; V845-I849 WeakPolarHBondContact O-CG1 3.34Å; V845-I849 PolarHBondContact O-N 3.18Å
846G83.3Confident85.7Confident0 Ų027.8 Ų27.80%015%0.148CC..Hα-helixtrans-63.7-46-170.900000114F537 L842 L850F537-G846 VanDerWaalsContact CZ-O 3.31Å; F537-G846 WeakPolarHBondContact CZ-O 3.45Å; L842-G846 WeakPolarHBondContact O-CA 3.37Å; L842-G846 PolarHBondContact O-N 3.19Å; G846-L850 WeakPolarHBondContact O-CB 3.33Å; G846-L850 PolarHBondContact O-N 3.38Å; G846-L850 VanDerWaalsContact O-N 3.08Å
847W83.3Confident86Confident64 Ų6425.6 Ų25.624%0.24214%0.139CC..Hα-helixtrans-67.9-47.3-179.4176-100.5000113.3F533 F537 V845 I849 L850 Q851F533-W847 HydrophobicContact CB-CB 4.38Å; F533-W847 HydrophobicContact CB-CD2 4.18Å; F533-W847 HydrophobicContact CB-CE3 4.18Å; F533-W847 HydrophobicContact CB-CG 4.25Å; F533-W847 AromaticContact CD1-CD2 3.94Å; F533-W847 HydrophobicContact CD1-CD2 3.94Å; F533-W847 AromaticContact CD1-CE3 3.36Å; F533-W847 HydrophobicContact CD1-CE3 3.36Å; F533-W847 AromaticContact CD1-CH2 3.94Å; F533-W847 HydrophobicContact CD1-CH2 3.94Å; F533-W847 HydrophobicContact CD1-CZ2 4.46Å; F533-W847 AromaticContact CD1-CZ3 3.36Å; F533-W847 HydrophobicContact CD1-CZ3 3.36Å; F533-W847 HydrophobicContact CD2-CD2 4.08Å; F533-W847 HydrophobicContact CD2-CE3 4.33Å; F533-W847 HydrophobicContact CD2-CZ2 4.33Å; F533-W847 HydrophobicContact CE1-CD2 4.35Å; F533-W847 AromaticContact CE1-CE3 3.73Å; F533-W847 HydrophobicContact CE1-CE3 3.73Å; F533-W847 AromaticContact CE1-CH2 3.37Å; F533-W847 HydrophobicContact CE1-CH2 3.37Å; F533-W847 HydrophobicContact CE1-CZ2 4.05Å; F533-W847 AromaticContact CE1-CZ3 3.19Å; F533-W847 HydrophobicContact CE1-CZ3 3.19Å; F533-W847 HydrophobicContact CE2-CD2 4.47Å; F533-W847 HydrophobicContact CE2-CH2 4.07Å; F533-W847 AromaticContact CE2-CZ2 3.9Å; F533-W847 HydrophobicContact CE2-CZ2 3.9Å; F533-W847 HydrophobicContact CE2-CZ3 4.43Å; F533-W847 AromaticContact CG-CD2 3.8Å; F533-W847 HydrophobicContact CG-CD2 3.8Å; F533-W847 AromaticContact CG-CE3 3.7Å; F533-W847 HydrophobicContact CG-CE3 3.7Å; F533-W847 HydrophobicContact CG-CG 4.32Å; F533-W847 HydrophobicContact CG-CH2 4.49Å; F533-W847 HydrophobicContact CG-CZ3 4.07Å; F533-W847 HydrophobicContact CZ-CE3 4.35Å; F533-W847 AromaticContact CZ-CH2 3.44Å; F533-W847 HydrophobicContact CZ-CH2 3.44Å; F533-W847 VanDerWaalsContact CZ-CH2 3.44Å; F533-W847 AromaticContact CZ-CZ2 3.74Å; F533-W847 HydrophobicContact CZ-CZ2 3.74Å; F533-W847 AromaticContact CZ-CZ3 3.78Å; F533-W847 HydrophobicContact CZ-CZ3 3.78Å; F537-W847 HydrophobicContact CD2-CB 4.37Å; F537-W847 HydrophobicContact CE2-CB 3.84Å; F537-W847 HydrophobicContact CE2-CE3 4.46Å; F537-W847 VanDerWaalsContact CE2-N 3.3Å; V845-W847 PolarHBondContact O-N 3.05Å; W847-I849 VanDerWaalsContact C-N 3.34Å; W847-I849 PolarHBondContact O-N 2.76Å; W847-L850 HydrophobicContact CE3-CD2 3.96Å; W847-L850 HydrophobicContact CZ3-CD2 3.77Å; W847-L850 PolarHBondContact O-N 3.1Å; W847-Q851 HydrophobicContact CZ2-CB 4.44Å; W847-Q851 VanDerWaalsContact O-CB 3.3Å; W847-Q851 WeakPolarHBondContact O-CB 3.37Å; W847-Q851 PolarHBondContact O-N 3.33Å
848P78.9Confident86.3Confident34 Ų3426.5 Ų26.522%0.22115%0.145CC..Hα-helixtrans-53.2-47.7173.5-28.834.9000113.2V845 L850 Q851 G852V845-P848 WeakPolarHBondContact O-CD 3.32Å; P848-L850 VanDerWaalsContact C-N 3.34Å; P848-L850 PolarHBondContact O-N 2.92Å; P848-Q851 PolarHBondContact O-N 3.1Å; P848-G852 PolarHBondContact O-N 2.77Å
849I84.6Confident86.5Confident10 Ų1026.4 Ų26.45%0.05115%0.145CC..Hα-helixtrans-61-43.9179.3-67.9168.8000111.2Y817 I821 V845 W847 G853 M886 A889 L890Y817-I849 HydrophobicContact CD1-CB 4.38Å; Y817-I849 HydrophobicContact CD1-CG1 4.04Å; Y817-I849 HydrophobicContact CD1-CG2 3.82Å; Y817-I849 HydrophobicContact CE1-CG2 3.93Å; Y817-I849 HydrophobicContact CG-CG2 4.24Å; I821-I849 HydrophobicContact CD1-CD1 3.81Å; I821-I849 HydrophobicContact CG1-CD1 3.81Å; V845-I849 HydrophobicContact CB-CD1 4.02Å; V845-I849 HydrophobicContact CG2-CD1 4Å; V845-I849 WeakPolarHBondContact O-CD1 3.46Å; V845-I849 VanDerWaalsContact O-CG1 3.27Å; V845-I849 WeakPolarHBondContact O-CG1 3.34Å; V845-I849 PolarHBondContact O-N 3.18Å; W847-I849 VanDerWaalsContact C-N 3.34Å; W847-I849 PolarHBondContact O-N 2.76Å; I849-G853 PolarHBondContact O-N 2.86Å; I849-M886 HydrophobicContact CG2-CG 4.42Å; I849-A889 HydrophobicContact CD1-CB 4.34Å; I849-A889 HydrophobicContact CG2-CB 4.01Å; I849-L890 HydrophobicContact CB-CD2 4.41Å; I849-L890 HydrophobicContact CG2-CD2 4.21Å; I849-L890 HydrophobicContact CG2-CG 4.33Å
850L87Confident86.7Confident57 Ų5724.2 Ų24.230%0.29813%0.133SC..Hα-helixtrans-63.7-43.3176.9-169.679.8000111.6G846 W847 P848 V854 M886 L890G846-L850 WeakPolarHBondContact O-CB 3.33Å; G846-L850 PolarHBondContact O-N 3.38Å; G846-L850 VanDerWaalsContact O-N 3.08Å; W847-L850 HydrophobicContact CE3-CD2 3.96Å; W847-L850 HydrophobicContact CZ3-CD2 3.77Å; W847-L850 PolarHBondContact O-N 3.1Å; P848-L850 VanDerWaalsContact C-N 3.34Å; P848-L850 PolarHBondContact O-N 2.92Å; L850-V854 WeakPolarHBondContact O-CB 3.4Å; L850-V854 VanDerWaalsContact O-CG2 3.25Å; L850-V854 WeakPolarHBondContact O-CG2 3.43Å; L850-V854 PolarHBondContact O-N 3.06Å; L850-M886 HydrophobicContact CB-CE 4.48Å; L850-M886 HydrophobicContact CD1-CE 3.33Å; L850-M886 HydrophobicContact CG-CE 4.26Å; L850-L890 HydrophobicContact CD1-CD1 4.36Å
851Q84.5Confident87.2Confident27 Ų2723.3 Ų23.313%0.12613%0.132CC..Hα-helixtrans-66.1-45-178.5-176.9177-10.300111.8F296 F359 W847 P848 A855F296-Q851 HydrophobicContact CE1-CG 4.08Å; F296-Q851 HydrophobicContact CZ-CG 4.09Å; F359-Q851 HydrophobicContact CD2-CG 3.87Å; F359-Q851 HydrophobicContact CE2-CG 3.9Å; F359-Q851 HydrophobicContact CG-CG 4.2Å; F359-Q851 HydrophobicContact CZ-CG 4.26Å; W847-Q851 HydrophobicContact CZ2-CB 4.44Å; W847-Q851 VanDerWaalsContact O-CB 3.3Å; W847-Q851 WeakPolarHBondContact O-CB 3.37Å; W847-Q851 PolarHBondContact O-N 3.33Å; P848-Q851 PolarHBondContact O-N 3.1Å; Q851-A855 WeakPolarHBondContact O-CB 3.25Å; Q851-A855 PolarHBondContact O-N 3.04Å
852G85.4Confident87.6Confident3 Ų323.9 Ų23.93%0.03114%0.136CC..Hα-helixtrans-60.8-51174.900000112.5D356 P848 V854 A855 A856D356-G852 WeakPolarHBondContact OD1-CA 3.48Å; P848-G852 PolarHBondContact O-N 2.77Å; G852-V854 PolarHBondContact O-N 3.34Å; G852-A855 WeakPolarHBondContact O-CB 3.44Å; G852-A855 PolarHBondContact O-N 3.4Å; G852-A855 VanDerWaalsContact O-N 3.1Å; G852-A856 PolarHBondContact O-N 2.98Å
853G90.4Very high87.9Confident0 Ų023.9 Ų23.90%014%0.136CC..Hα-helixtrans-59.4-43.7177.800000113.1I849 A855 A856 L857I849-G853 PolarHBondContact O-N 2.86Å; G853-A855 VanDerWaalsContact C-N 3.33Å; G853-A855 PolarHBondContact O-N 2.94Å; G853-A856 PolarHBondContact O-N 3.01Å; G853-L857 WeakPolarHBondContact O-CG 3.39Å; G853-L857 PolarHBondContact O-N 2.97Å
854V91.7Very high88.4Confident50 Ų5023.8 Ų23.830%0.30314%0.137SC..Hα-helixtrans-64-38.8175.6171.80000111.6F296 L850 G852 L857 L858F296-V854 HydrophobicContact CD2-CG1 4.14Å; F296-V854 HydrophobicContact CE2-CB 4.28Å; F296-V854 HydrophobicContact CE2-CG1 3.5Å; F296-V854 VanDerWaalsContact CE2-CG1 3.5Å; F296-V854 HydrophobicContact CZ-CB 4.03Å; F296-V854 HydrophobicContact CZ-CG1 3.72Å; L850-V854 WeakPolarHBondContact O-CB 3.4Å; L850-V854 VanDerWaalsContact O-CG2 3.25Å; L850-V854 WeakPolarHBondContact O-CG2 3.43Å; L850-V854 PolarHBondContact O-N 3.06Å; G852-V854 PolarHBondContact O-N 3.34Å; V854-L857 PolarHBondContact O-N 3.25Å; V854-L858 HydrophobicContact CG1-CD1 3.92Å; V854-L858 HydrophobicContact CG1-CG 4.28Å; V854-L858 WeakPolarHBondContact O-CB 3.4Å; V854-L858 VanDerWaalsContact O-CG 3.29Å; V854-L858 WeakPolarHBondContact O-CG 3.36Å; V854-L858 PolarHBondContact O-N 2.65Å
855A90.6Very high89.4Confident1 Ų128.4 Ų28.41%0.00815%0.149CC..Hα-helixtrans-63.5-44.5175.600000111.8L293 F296 F359 Q851 G852 G853 L857 L858 A859L293-A855 HydrophobicContact CD2-CB 4.19Å; L293-A855 WeakPolarHBondContact CD2-O 3.44Å; F296-A855 HydrophobicContact CD1-CB 4.18Å; F296-A855 HydrophobicContact CE1-CB 3.93Å; F359-A855 HydrophobicContact CE2-CB 3.85Å; Q851-A855 WeakPolarHBondContact O-CB 3.25Å; Q851-A855 PolarHBondContact O-N 3.04Å; G852-A855 WeakPolarHBondContact O-CB 3.44Å; G852-A855 PolarHBondContact O-N 3.4Å; G852-A855 VanDerWaalsContact O-N 3.1Å; G853-A855 VanDerWaalsContact C-N 3.33Å; G853-A855 PolarHBondContact O-N 2.94Å; A855-L857 VanDerWaalsContact C-N 3.33Å; A855-L857 PolarHBondContact O-N 3.29Å; A855-L858 PolarHBondContact O-N 3.34Å; A855-A859 WeakPolarHBondContact O-CB 3.29Å; A855-A859 PolarHBondContact O-N 3.01Å
856A91.9Very high90.1Very high1 Ų128 Ų281%0.00815%0.146CC..Hα-helixtrans-60.8-40.7176.300000112.4A352 F813 G852 G853 T860 V882A352-A856 HydrophobicContact CB-CB 4.14Å; F813-A856 HydrophobicContact CE1-CB 3.8Å; F813-A856 HydrophobicContact CZ-CB 4.06Å; G852-A856 PolarHBondContact O-N 2.98Å; G853-A856 PolarHBondContact O-N 3.01Å; A856-T860 PolarHBondContact O-N 3.22Å; A856-T860 PolarHBondContact O-OG1 3.35Å; A856-V882 HydrophobicContact CB-CG2 4Å
857L94.1Very high90.5Very high41 Ų4130 Ų3022%0.21516%0.16CC..Hα-helixtrans-66-43.3174.3-68.2-180000112G853 V854 A855 A859 T860 L861 L879 V882G853-L857 WeakPolarHBondContact O-CG 3.39Å; G853-L857 PolarHBondContact O-N 2.97Å; V854-L857 PolarHBondContact O-N 3.25Å; A855-L857 VanDerWaalsContact C-N 3.33Å; A855-L857 PolarHBondContact O-N 3.29Å; L857-A859 VanDerWaalsContact C-N 3.34Å; L857-T860 PolarHBondContact O-N 3.32Å; L857-T860 PolarHBondContact O-OG1 3.18Å; L857-L861 WeakPolarHBondContact O-CA 3.28Å; L857-L861 WeakPolarHBondContact O-CB 3.28Å; L857-L861 PolarHBondContact O-N 3.23Å; L857-L879 HydrophobicContact CD1-CD1 4.42Å; L857-L879 HydrophobicContact CD2-CB 4.35Å; L857-L879 HydrophobicContact CD2-CD1 3.65Å; L857-V882 HydrophobicContact CD1-CG1 4.17Å; L857-V882 HydrophobicContact CD2-CB 3.93Å; L857-V882 HydrophobicContact CD2-CG1 4.14Å; L857-V882 HydrophobicContact CD2-CG2 4.33Å; L857-V882 HydrophobicContact CG-CB 4.22Å; L857-V882 HydrophobicContact CG-CG1 3.87Å
858L93.8Very high90.8Very high46 Ų4627 Ų2724%0.24115%0.148CC..Hα-helixtrans-67.4-35.5178.1-72.1175.4000112.5F296 V854 A855 T860 L861F296-L858 HydrophobicContact CB-CD1 3.62Å; F296-L858 HydrophobicContact CD1-CD1 4.35Å; F296-L858 HydrophobicContact CD2-CD1 3.63Å; F296-L858 HydrophobicContact CE2-CD1 4.38Å; F296-L858 HydrophobicContact CG-CD1 3.6Å; V854-L858 HydrophobicContact CG1-CD1 3.92Å; V854-L858 HydrophobicContact CG1-CG 4.28Å; V854-L858 WeakPolarHBondContact O-CB 3.4Å; V854-L858 VanDerWaalsContact O-CG 3.29Å; V854-L858 WeakPolarHBondContact O-CG 3.36Å; V854-L858 PolarHBondContact O-N 2.65Å; A855-L858 PolarHBondContact O-N 3.34Å; L858-T860 VanDerWaalsContact C-N 3.28Å; L858-T860 PolarHBondContact O-N 2.8Å; L858-L861 HydrophobicContact CD2-CD2 4.49Å
859A93.1Very high91.3Very high0 Ų027.1 Ų27.10%015%0.145CC..Hα-helixtrans-60.8-40.317500000111.3S289 L293 F348 A352 A855 L857S289-A859 VanDerWaalsContact CB-O 3.3Å; S289-A859 WeakPolarHBondContact CB-O 3.46Å; S289-A859 WeakPolarHBondContact OG-CA 3.19Å; S289-A859 PolarHBondContact OG-O 3.33Å; L293-A859 HydrophobicContact CD1-CB 3.8Å; L293-A859 HydrophobicContact CD2-CB 4.13Å; L293-A859 HydrophobicContact CG-CB 4.22Å; F348-A859 WeakPolarHBondContact CD1-O 3.38Å; A352-A859 HydrophobicContact CB-CB 3.89Å; A855-A859 WeakPolarHBondContact O-CB 3.29Å; A855-A859 PolarHBondContact O-N 3.01Å; L857-A859 VanDerWaalsContact C-N 3.34Å
860T93.7Very high91.6Very high1 Ų127.1 Ų27.11%0.00615%0.145CC..Hα-helixtrans-98.3-16.5-173.156.60000114.1A856 L857 L858 P862 L863 F874 F875 V878A856-T860 PolarHBondContact O-N 3.22Å; A856-T860 PolarHBondContact O-OG1 3.35Å; L857-T860 PolarHBondContact O-N 3.32Å; L857-T860 PolarHBondContact O-OG1 3.18Å; L858-T860 VanDerWaalsContact C-N 3.28Å; L858-T860 PolarHBondContact O-N 2.8Å; T860-P862 VanDerWaalsContact C-N 3.34Å; T860-L863 WeakPolarHBondContact O-CB 3.43Å; T860-L863 WeakPolarHBondContact O-CG 3.35Å; T860-L863 PolarHBondContact O-N 3.12Å; T860-F874 HydrophobicContact CG2-CE1 4.24Å; T860-F875 WeakPolarHBondContact O-CD2 3.3Å; T860-V878 HydrophobicContact CG2-CB 4.33Å; T860-V878 HydrophobicContact CG2-CG1 3.94Å; T860-V878 HydrophobicContact CG2-CG2 4.23Å
861L94.6Very high91.8Very high74 Ų7424.6 Ų24.639%0.38713%0.132SC..G310 helixtrans-48.8-43.9-179.8179.766.7000114.5L857 L858 L863 G864 F865 F875L857-L861 WeakPolarHBondContact O-CA 3.28Å; L857-L861 WeakPolarHBondContact O-CB 3.28Å; L857-L861 PolarHBondContact O-N 3.23Å; L858-L861 HydrophobicContact CD2-CD2 4.49Å; L861-L863 PolarHBondContact O-N 3.01Å; L861-L863 VanDerWaalsContact O-N 3.17Å; L861-G864 PolarHBondContact O-N 3.19Å; L861-G864 VanDerWaalsContact O-N 3.1Å; L861-F865 HydrophobicContact CD1-CE2 4.14Å; L861-F865 HydrophobicContact CG-CE2 4.17Å; L861-F865 WeakPolarHBondContact O-CD2 3.34Å; L861-F875 HydrophobicContact CB-CE2 4.41Å; L861-F875 HydrophobicContact CD1-CE2 4.09Å; L861-F875 HydrophobicContact CD1-CZ 3.91Å
862P94.7Very high92.2Very high14 Ų1426.9 Ų26.99%0.09114%0.139CC..G310 helixtrans-57.5-30.3178-25.937000113.8Y285 F288 T860 G864 F865Y285-P862 HydrophobicContact CD1-CB 3.88Å; Y285-P862 VanDerWaalsContact CD1-O 3.22Å; Y285-P862 WeakPolarHBondContact CD1-O 3.24Å; Y285-P862 HydrophobicContact CG-CB 4.43Å; F288-P862 HydrophobicContact CB-CB 4.19Å; F288-P862 HydrophobicContact CB-CG 4.04Å; T860-P862 VanDerWaalsContact C-N 3.34Å; P862-G864 PolarHBondContact O-N 2.05Å; P862-F865 PolarHBondContact O-N 3.31Å; P862-F865 VanDerWaalsContact O-N 3.17Å
863L94.3Very high92.6Very high0 Ų026.7 Ų26.70%014%0.138CC..G310 helixtrans-64.8-27.8179.7-58.3179.9000112.5T282 V345 F348 T860 L861 F865 V866 V871 F874 F875T282-L863 HydrophobicContact CG2-CD2 3.63Å; V345-L863 HydrophobicContact CG1-CD1 3.85Å; F348-L863 HydrophobicContact CB-CD1 4.13Å; F348-L863 HydrophobicContact CD1-CD1 4.17Å; F348-L863 HydrophobicContact CD1-CD2 3.86Å; F348-L863 HydrophobicContact CD1-CG 3.99Å; F348-L863 HydrophobicContact CD2-CD1 4.41Å; F348-L863 HydrophobicContact CD2-CD2 4.03Å; F348-L863 HydrophobicContact CE1-CD2 3.57Å; F348-L863 HydrophobicContact CE1-CG 4.11Å; F348-L863 HydrophobicContact CE2-CD2 3.79Å; F348-L863 HydrophobicContact CG-CD1 3.99Å; F348-L863 HydrophobicContact CG-CD2 4.07Å; F348-L863 HydrophobicContact CG-CG 4.27Å; F348-L863 HydrophobicContact CZ-CD2 3.53Å; T860-L863 WeakPolarHBondContact O-CB 3.43Å; T860-L863 WeakPolarHBondContact O-CG 3.35Å; T860-L863 PolarHBondContact O-N 3.12Å; L861-L863 PolarHBondContact O-N 3.01Å; L861-L863 VanDerWaalsContact O-N 3.17Å; L863-F865 PolarHBondContact O-N 2.86Å; L863-F865 VanDerWaalsContact O-N 3.16Å; L863-V866 PolarHBondContact O-N 3.38Å; L863-V871 HydrophobicContact CB-CG1 3.76Å; L863-V871 HydrophobicContact CD2-CG1 3.75Å; L863-V871 HydrophobicContact CG-CG1 4.27Å; L863-F874 HydrophobicContact CD1-CD1 3.7Å; L863-F874 HydrophobicContact CD1-CE1 4Å; L863-F875 HydrophobicContact CB-CB 4.08Å
864G94.5Very high92.7Very high21 Ų2127 Ų2722%0.21614%0.139CC..G310 helixtrans-63.9-17.6176.500000114.1L861 P862 F875L861-G864 PolarHBondContact O-N 3.19Å; L861-G864 VanDerWaalsContact O-N 3.1Å; P862-G864 PolarHBondContact O-N 2.05Å; G864-F875 VanDerWaalsContact CA-CD1 3.46Å
865F94.6Very high92.8Very high142 Ų14226.2 Ų26.262%0.62313%0.132SC*.G310 helixtrans-103.5-1.4-179-57.9-79.3000113.6Y285 L861 P862 L863Y285-F865 HydrophobicContact CE1-CB 4.1Å; Y285-F865 PolarHBondContact OH-O 3.29Å; L861-F865 HydrophobicContact CD1-CE2 4.14Å; L861-F865 HydrophobicContact CG-CE2 4.17Å; L861-F865 WeakPolarHBondContact O-CD2 3.34Å; P862-F865 PolarHBondContact O-N 3.31Å; P862-F865 VanDerWaalsContact O-N 3.17Å; L863-F865 PolarHBondContact O-N 2.86Å; L863-F865 VanDerWaalsContact O-N 3.16Å
866V93.3Very high93Very high1 Ų130.1 Ų30.11%0.00615%0.146CC..SBendtrans-73132.4176179.10000108.7L281 Y285 L863 S868 V871 R872L281-V866 HydrophobicContact CB-CG1 4.44Å; Y285-V866 HydrophobicContact CD1-CG2 4.03Å; Y285-V866 HydrophobicContact CD2-CG2 3.68Å; Y285-V866 HydrophobicContact CE1-CG2 4.12Å; Y285-V866 HydrophobicContact CE2-CG2 3.79Å; Y285-V866 HydrophobicContact CG-CG2 3.79Å; L863-V866 PolarHBondContact O-N 3.38Å; V866-S868 PolarHBondContact O-N 3Å; V866-V871 HydrophobicContact CB-CB 4.1Å; V866-V871 HydrophobicContact CB-CG1 3.73Å; V866-V871 HydrophobicContact CG1-CB 4.07Å; V866-V871 HydrophobicContact CG1-CG1 4.04Å; V866-V871 HydrophobicContact CG1-CG2 4.16Å; V866-V871 HydrophobicContact CG2-CG1 3.86Å; V866-R872 WeakPolarHBondContact O-CD 3.48Å; V866-R872 VanDerWaalsContact O-CG 3.32Å; V866-R872 WeakPolarHBondContact O-CG 3.36Å
867P91.8Very high93.2Very high43 Ų4330.1 Ų30.128%0.27915%0.146SC..SBendtrans-77.957.6-179.433.8-36.8000111.5L281 D583L281-P867 HydrophobicContact CD1-CG 4.26Å; D583-P867 HydrophobicContact CB-CB 4.42Å; D583-P867 PolarHBondContact N-O 3.04Å; D583-P867 WeakPolarHBondContact OD2-CA 3.46Å
868S90.1Very high93.1Very high0 Ų028.2 Ų28.20%014%0.136CC..BIsolated β-bridgetrans-142.8132179.2171.60000109.4N278 V866 V870 R872N278-S868 VanDerWaalsContact OD1-CB 3.24Å; N278-S868 WeakPolarHBondContact OD1-CB 3.05Å; N278-S868 PolarHBondContact OD1-OG 3.47Å; V866-S868 PolarHBondContact O-N 3Å; S868-V870 PolarHBondContact OG-N 2.97Å; S868-R872 WeakPolarHBondContact O-CB 3.37Å; S868-R872 VanDerWaalsContact O-CG 3.27Å; S868-R872 WeakPolarHBondContact O-CG 3.23Å; S868-R872 PolarHBondContact O-N 3.26Å; S868-R872 VanDerWaalsContact O-N 3.1Å; S868-R872 PolarHBondContact O-NE 3.43Å
869Y89.7Confident93.2Very high38 Ų3828.2 Ų28.215%0.14914%0.136CC..Hα-helixtrans-59.1-50.2174.2169.1-96.9000111.1M579 D800 V871 R872 V873M579-Y869 HydrophobicContact CB-CD1 3.77Å; M579-Y869 HydrophobicContact CB-CE1 3.91Å; M579-Y869 HydrophobicContact CG-CD1 4.16Å; M579-Y869 HydrophobicContact CG-CE1 4.07Å; M579-Y869 WeakPolarHBondContact O-CD1 3.29Å; M579-Y869 HydrophobicContact SD-CE1 4.14Å; D800-Y869 PolarHBondContact OD2-OH 3.32Å; Y869-V871 VanDerWaalsContact C-N 3.27Å; Y869-V871 PolarHBondContact O-N 3.13Å; Y869-R872 PolarHBondContact O-N 3.01Å; Y869-V873 HydrophobicContact CD1-CG2 4.2Å; Y869-V873 HydrophobicContact CD2-CG2 3.74Å; Y869-V873 HydrophobicContact CE1-CG2 3.89Å; Y869-V873 HydrophobicContact CE2-CG2 3.38Å; Y869-V873 HydrophobicContact CG-CG2 4.14Å; Y869-V873 VanDerWaalsContact CZ-CG2 3.48Å; Y869-V873 WeakPolarHBondContact O-CB 3.18Å; Y869-V873 VanDerWaalsContact O-CG2 3.29Å; Y869-V873 WeakPolarHBondContact O-CG2 3.29Å; Y869-V873 PolarHBondContact O-N 3.34Å
870V89.3Confident93.4Very high10 Ų1029 Ų296%0.06114%0.14CC..Hα-helixtrans-50.5-48.8-178.5178.40000111.3M579 L580 I802 S868 F874M579-V870 WeakPolarHBondContact O-CG2 3.36Å; L580-V870 HydrophobicContact CD2-CG2 4.01Å; I802-V870 HydrophobicContact CD1-CG1 4.08Å; I802-V870 HydrophobicContact CG1-CG1 4.19Å; I802-V870 HydrophobicContact CG1-CG2 4.4Å; I802-V870 HydrophobicContact CG2-CG1 3.81Å; S868-V870 PolarHBondContact OG-N 2.97Å; V870-F874 PolarHBondContact O-N 3.49Å
871V92Very high93.4Very high3 Ų329 Ų292%0.01814%0.14CC..Hα-helixtrans-74.7-38.3-175-175.50000111.7T282 L863 V866 Y869 F874 F875T282-V871 HydrophobicContact CG2-CG1 4.13Å; T282-V871 WeakPolarHBondContact OG1-CG2 3.48Å; L863-V871 HydrophobicContact CB-CG1 3.76Å; L863-V871 HydrophobicContact CD2-CG1 3.75Å; L863-V871 HydrophobicContact CG-CG1 4.27Å; V866-V871 HydrophobicContact CB-CB 4.1Å; V866-V871 HydrophobicContact CB-CG1 3.73Å; V866-V871 HydrophobicContact CG1-CB 4.07Å; V866-V871 HydrophobicContact CG1-CG1 4.04Å; V866-V871 HydrophobicContact CG1-CG2 4.16Å; V866-V871 HydrophobicContact CG2-CG1 3.86Å; Y869-V871 VanDerWaalsContact C-N 3.27Å; Y869-V871 PolarHBondContact O-N 3.13Å; V871-F874 WeakPolarHBondContact O-CB 3.47Å; V871-F874 PolarHBondContact O-N 3.45Å; V871-F875 PolarHBondContact O-N 2.8Å; V871-F875 VanDerWaalsContact O-N 3.16Å
872R93.1Very high93.4Very high75 Ų7525.4 Ų25.428%0.28312%0.121SC..Hα-helixtrans-68.7-37.3176.5-72.3-176-63.1168.4-2.5112.4D583 V866 S868 Y869 F874 F875 R876D583-R872 IonicContact OD1-CZ 3.1Å; D583-R872 IonicContact OD1-NH2 3.46Å; D583-R872 PolarHBondContact OD1-NH2 3.28Å; D583-R872 IonicContact OD2-CZ 2.85Å; D583-R872 IonicContact OD2-NE 3.9Å; D583-R872 IonicContact OD2-NH1 3.04Å; D583-R872 IonicContact OD2-NH2 3.89Å; D583-R872 PolarHBondContact OD2-NH2 2.94Å; V866-R872 WeakPolarHBondContact O-CD 3.48Å; V866-R872 VanDerWaalsContact O-CG 3.32Å; V866-R872 WeakPolarHBondContact O-CG 3.36Å; S868-R872 WeakPolarHBondContact O-CB 3.37Å; S868-R872 VanDerWaalsContact O-CG 3.27Å; S868-R872 WeakPolarHBondContact O-CG 3.23Å; S868-R872 PolarHBondContact O-N 3.26Å; S868-R872 VanDerWaalsContact O-N 3.1Å; S868-R872 PolarHBondContact O-NE 3.43Å; Y869-R872 PolarHBondContact O-N 3.01Å; R872-F874 VanDerWaalsContact C-N 3.31Å; R872-F875 PolarHBondContact O-N 2.69Å; R872-R876 WeakPolarHBondContact O-CB 3.5Å; R872-R876 VanDerWaalsContact O-CG 3.29Å; R872-R876 WeakPolarHBondContact O-CG 3.46Å; R872-R876 PolarHBondContact O-N 2.92Å
873V92.8Very high93.4Very high0 Ų027.3 Ų27.30%014%0.135CC..Hα-helixtrans-64.1-40.1175.3172.70000110.5V797 T803 Y869 F875 R876 T877V797-V873 HydrophobicContact CG1-CG1 3.79Å; V797-V873 HydrophobicContact CG1-CG2 4.32Å; V797-V873 HydrophobicContact CG2-CG2 4.29Å; T803-V873 HydrophobicContact CG2-CG1 3.53Å; Y869-V873 HydrophobicContact CD1-CG2 4.2Å; Y869-V873 HydrophobicContact CD2-CG2 3.74Å; Y869-V873 HydrophobicContact CE1-CG2 3.89Å; Y869-V873 HydrophobicContact CE2-CG2 3.38Å; Y869-V873 HydrophobicContact CG-CG2 4.14Å; Y869-V873 VanDerWaalsContact CZ-CG2 3.48Å; Y869-V873 WeakPolarHBondContact O-CB 3.18Å; Y869-V873 VanDerWaalsContact O-CG2 3.29Å; Y869-V873 WeakPolarHBondContact O-CG2 3.29Å; Y869-V873 PolarHBondContact O-N 3.34Å; V873-F875 PolarHBondContact O-N 3.44Å; V873-R876 WeakPolarHBondContact O-CB 2.98Å; V873-R876 PolarHBondContact O-N 2.92Å; V873-T877 PolarHBondContact O-N 2.72Å; V873-T877 PolarHBondContact O-OG1 3.26Å; V873-T877 VanDerWaalsContact O-OG1 3.11Å
874F92.4Very high93.5Very high6 Ų627.8 Ų27.83%0.02614%0.137CC..Hα-helixtrans-56.6-51.1172.6-174.2-82.6000112V345 L349 N806 M809 T860 L863 V870 V871 R872 R876 T877 V878V345-F874 HydrophobicContact CB-CD2 4.21Å; V345-F874 HydrophobicContact CB-CE2 4.11Å; V345-F874 HydrophobicContact CB-CZ 4.32Å; V345-F874 HydrophobicContact CG1-CB 4.49Å; V345-F874 HydrophobicContact CG1-CD1 3.37Å; V345-F874 HydrophobicContact CG1-CD2 3.53Å; V345-F874 HydrophobicContact CG1-CE1 3.21Å; V345-F874 HydrophobicContact CG1-CE2 3.37Å; V345-F874 HydrophobicContact CG1-CG 3.53Å; V345-F874 HydrophobicContact CG1-CZ 3.21Å; V345-F874 HydrophobicContact CG2-CD2 4.49Å; L349-F874 HydrophobicContact CB-CZ 4.4Å; N806-F874 WeakPolarHBondContact OD1-CD2 3.28Å; M809-F874 HydrophobicContact CE-CD2 3.88Å; M809-F874 HydrophobicContact CE-CE1 4.16Å; M809-F874 HydrophobicContact CE-CE2 3.39Å; M809-F874 HydrophobicContact CE-CG 4.44Å; M809-F874 HydrophobicContact CE-CZ 3.54Å; M809-F874 HydrophobicContact SD-CD2 4.31Å; M809-F874 HydrophobicContact SD-CE1 4.22Å; M809-F874 HydrophobicContact SD-CE2 3.26Å; M809-F874 WeakPolarHBondContact SD-CE2 3.39Å; M809-F874 HydrophobicContact SD-CZ 3.2Å; M809-F874 WeakPolarHBondContact SD-CZ 3.49Å; T860-F874 HydrophobicContact CG2-CE1 4.24Å; L863-F874 HydrophobicContact CD1-CD1 3.7Å; L863-F874 HydrophobicContact CD1-CE1 4Å; V870-F874 PolarHBondContact O-N 3.49Å; V871-F874 WeakPolarHBondContact O-CB 3.47Å; V871-F874 PolarHBondContact O-N 3.45Å; R872-F874 VanDerWaalsContact C-N 3.31Å; F874-R876 VanDerWaalsContact C-N 3.33Å; F874-R876 PolarHBondContact O-N 3.12Å; F874-T877 PolarHBondContact O-N 2.73Å; F874-T877 VanDerWaalsContact O-N 3.17Å; F874-V878 HydrophobicContact CD1-CG2 4.04Å; F874-V878 HydrophobicContact CE1-CG2 3.61Å; F874-V878 HydrophobicContact CZ-CG2 4.11Å; F874-V878 PolarHBondContact O-N 3.02Å
875F94.7Very high93.5Very high33 Ų3326.9 Ų26.915%0.14513%0.127CC..Hα-helixtrans-57.1-45.9176.1168.8-110.7000112.1T860 L861 L863 G864 V871 R872 V873 T877 V878 L879T860-F875 WeakPolarHBondContact O-CD2 3.3Å; L861-F875 HydrophobicContact CB-CE2 4.41Å; L861-F875 HydrophobicContact CD1-CE2 4.09Å; L861-F875 HydrophobicContact CD1-CZ 3.91Å; L863-F875 HydrophobicContact CB-CB 4.08Å; G864-F875 VanDerWaalsContact CA-CD1 3.46Å; V871-F875 PolarHBondContact O-N 2.8Å; V871-F875 VanDerWaalsContact O-N 3.16Å; R872-F875 PolarHBondContact O-N 2.69Å; V873-F875 PolarHBondContact O-N 3.44Å; F875-T877 VanDerWaalsContact C-N 3.29Å; F875-T877 PolarHBondContact O-N 2.9Å; F875-V878 PolarHBondContact O-N 2.9Å; F875-L879 HydrophobicContact CE1-CD2 4.14Å; F875-L879 HydrophobicContact CE2-CB 4.46Å; F875-L879 HydrophobicContact CZ-CB 4.43Å; F875-L879 HydrophobicContact CZ-CD2 4.04Å; F875-L879 VanDerWaalsContact O-CB 3.28Å; F875-L879 WeakPolarHBondContact O-CB 3.41Å; F875-L879 PolarHBondContact O-N 3.01Å
876R95.2Very high93.4Very high84 Ų8421.4 Ų21.432%0.31710%0.104SC..Hα-helixtrans-56.9-43.4177-77174.3-176.2-172.61.3111.6L792 W795 R872 V873 F874 L879 L880L792-R876 HydrophobicContact CD2-CB 4.44Å; W795-R876 HydrophobicContact CE3-CB 3.76Å; W795-R876 HydrophobicContact CE3-CG 3.77Å; W795-R876 HydrophobicContact CZ3-CB 3.55Å; W795-R876 HydrophobicContact CZ3-CG 3.65Å; R872-R876 WeakPolarHBondContact O-CB 3.5Å; R872-R876 VanDerWaalsContact O-CG 3.29Å; R872-R876 WeakPolarHBondContact O-CG 3.46Å; R872-R876 PolarHBondContact O-N 2.92Å; V873-R876 WeakPolarHBondContact O-CB 2.98Å; V873-R876 PolarHBondContact O-N 2.92Å; F874-R876 VanDerWaalsContact C-N 3.33Å; F874-R876 PolarHBondContact O-N 3.12Å; R876-L879 PolarHBondContact O-N 3Å; R876-L880 WeakPolarHBondContact O-CB 3.29Å; R876-L880 WeakPolarHBondContact O-CG 3.03Å; R876-L880 PolarHBondContact O-N 3.45Å
877T94.9Very high93.4Very high0 Ų025.5 Ų25.50%013%0.125CC..Hα-helixtrans-67.7-44.2179-55.40000112V788 L792 N806 V873 F874 F875 L879 L880 T881V788-T877 HydrophobicContact CG1-CG2 3.88Å; L792-T877 HydrophobicContact CD1-CG2 4.2Å; N806-T877 HydrophobicContact CB-CG2 3.73Å; N806-T877 WeakPolarHBondContact CB-OG1 3.3Å; N806-T877 VanDerWaalsContact O-CG2 3.28Å; N806-T877 WeakPolarHBondContact O-CG2 3.39Å; V873-T877 PolarHBondContact O-N 2.72Å; V873-T877 PolarHBondContact O-OG1 3.26Å; V873-T877 VanDerWaalsContact O-OG1 3.11Å; F874-T877 PolarHBondContact O-N 2.73Å; F874-T877 VanDerWaalsContact O-N 3.17Å; F875-T877 VanDerWaalsContact C-N 3.29Å; F875-T877 PolarHBondContact O-N 2.9Å; T877-L879 VanDerWaalsContact C-N 3.33Å; T877-L879 PolarHBondContact O-N 3.05Å; T877-L880 PolarHBondContact O-N 3.26Å; T877-T881 WeakPolarHBondContact O-CB 3.27Å; T877-T881 PolarHBondContact O-N 3.21Å; T877-T881 PolarHBondContact O-OG1 3.37Å
878V93.7Very high93.6Very high1 Ų123.6 Ų23.61%0.00611%0.113CC..Hα-helixtrans-62.6-43175.7176.70000110.8M809 T860 F874 F875 L880 T881 V882M809-V878 HydrophobicContact CE-CG2 3.48Å; M809-V878 VanDerWaalsContact CE-CG2 3.48Å; M809-V878 HydrophobicContact SD-CG2 4.23Å; T860-V878 HydrophobicContact CG2-CB 4.33Å; T860-V878 HydrophobicContact CG2-CG1 3.94Å; T860-V878 HydrophobicContact CG2-CG2 4.23Å; F874-V878 HydrophobicContact CD1-CG2 4.04Å; F874-V878 HydrophobicContact CE1-CG2 3.61Å; F874-V878 HydrophobicContact CZ-CG2 4.11Å; F874-V878 PolarHBondContact O-N 3.02Å; F875-V878 PolarHBondContact O-N 2.9Å; V878-L880 PolarHBondContact O-N 2.83Å; V878-T881 PolarHBondContact O-N 3.28Å; V878-V882 HydrophobicContact CG1-CG2 4.01Å; V878-V882 WeakPolarHBondContact O-CB 3.36Å; V878-V882 WeakPolarHBondContact O-CG2 3.39Å; V878-V882 PolarHBondContact O-N 3.48Å
879L95.6Very high93.6Very high47 Ų4723.7 Ų23.725%0.24611%0.114CC..Hα-helixtrans-57.4-47.6176.5177.863.6000111.6W795 L857 F875 R876 T877 C883W795-L879 HydrophobicContact CH2-CD2 3.99Å; L857-L879 HydrophobicContact CD1-CD1 4.42Å; L857-L879 HydrophobicContact CD2-CB 4.35Å; L857-L879 HydrophobicContact CD2-CD1 3.65Å; F875-L879 HydrophobicContact CE1-CD2 4.14Å; F875-L879 HydrophobicContact CE2-CB 4.46Å; F875-L879 HydrophobicContact CZ-CB 4.43Å; F875-L879 HydrophobicContact CZ-CD2 4.04Å; F875-L879 VanDerWaalsContact O-CB 3.28Å; F875-L879 WeakPolarHBondContact O-CB 3.41Å; F875-L879 PolarHBondContact O-N 3.01Å; R876-L879 PolarHBondContact O-N 3Å; T877-L879 VanDerWaalsContact C-N 3.33Å; T877-L879 PolarHBondContact O-N 3.05Å; L879-C883 VanDerWaalsContact O-CB 3.24Å; L879-C883 WeakPolarHBondContact O-CB 3.31Å; L879-C883 PolarHBondContact O-N 2.87Å; L879-C883 PolarHBondContact O-SG 3.43Å
880L96.1Very high93.8Very high15 Ų1522.8 Ų22.88%0.07911%0.112CC..Hα-helixtrans-65.1-46.4176.8-73.5172.9000111.5F791 L792 W795 R876 T877 V878 V882 C883 I884F791-L880 HydrophobicContact CB-CD1 3.88Å; F791-L880 HydrophobicContact CB-CD2 3.83Å; F791-L880 HydrophobicContact CB-CG 4.5Å; F791-L880 HydrophobicContact CG-CD2 4.42Å; L792-L880 HydrophobicContact CD2-CD1 3.73Å; L792-L880 HydrophobicContact CG-CD1 3.79Å; W795-L880 HydrophobicContact CD2-CD1 4.42Å; W795-L880 HydrophobicContact CE3-CD1 3.81Å; W795-L880 HydrophobicContact CE3-CG 4.23Å; W795-L880 HydrophobicContact CH2-CD1 4.32Å; W795-L880 HydrophobicContact CH2-CD2 3.8Å; W795-L880 HydrophobicContact CH2-CG 3.83Å; W795-L880 HydrophobicContact CZ2-CD2 4.05Å; W795-L880 HydrophobicContact CZ3-CD1 3.75Å; W795-L880 HydrophobicContact CZ3-CD2 4.09Å; W795-L880 HydrophobicContact CZ3-CG 3.66Å; R876-L880 WeakPolarHBondContact O-CB 3.29Å; R876-L880 WeakPolarHBondContact O-CG 3.03Å; R876-L880 PolarHBondContact O-N 3.45Å; T877-L880 PolarHBondContact O-N 3.26Å; V878-L880 PolarHBondContact O-N 2.83Å; L880-V882 PolarHBondContact O-N 3.08Å; L880-C883 PolarHBondContact O-N 3.42Å; L880-I884 HydrophobicContact CB-CD1 4.26Å; L880-I884 HydrophobicContact CD2-CD1 4.42Å; L880-I884 WeakPolarHBondContact O-CB 3.45Å; L880-I884 WeakPolarHBondContact O-CG1 3.14Å; L880-I884 PolarHBondContact O-N 3.09Å
881T94.9Very high94Very high1 Ų123.6 Ų23.61%0.00612%0.115CC..Hα-helixtrans-59.1-49.4-179.2-55.60000111.2M784 S810 F813 P814 T877 V878 G885M784-T881 HydrophobicContact SD-CG2 4.31Å; S810-T881 WeakPolarHBondContact CB-OG1 3.01Å; S810-T881 VanDerWaalsContact O-CG2 3.26Å; S810-T881 WeakPolarHBondContact O-CG2 3.44Å; F813-T881 HydrophobicContact CB-CG2 4.26Å; F813-T881 HydrophobicContact CD2-CG2 3.96Å; P814-T881 HydrophobicContact CG-CG2 4.14Å; T877-T881 WeakPolarHBondContact O-CB 3.27Å; T877-T881 PolarHBondContact O-N 3.21Å; T877-T881 PolarHBondContact O-OG1 3.37Å; V878-T881 PolarHBondContact O-N 3.28Å; T881-G885 WeakPolarHBondContact O-CA 3.39Å; T881-G885 PolarHBondContact O-N 3.08Å
882V94.1Very high94.2Very high0 Ų024 Ų240%012%0.116CC..Hα-helixtrans-68.3-45.4-179.5175.40000110.7F813 A856 L857 V878 L880 G885 M886F813-V882 HydrophobicContact CD2-CG2 4.49Å; A856-V882 HydrophobicContact CB-CG2 4Å; L857-V882 HydrophobicContact CD1-CG1 4.17Å; L857-V882 HydrophobicContact CD2-CB 3.93Å; L857-V882 HydrophobicContact CD2-CG1 4.14Å; L857-V882 HydrophobicContact CD2-CG2 4.33Å; L857-V882 HydrophobicContact CG-CB 4.22Å; L857-V882 HydrophobicContact CG-CG1 3.87Å; V878-V882 HydrophobicContact CG1-CG2 4.01Å; V878-V882 WeakPolarHBondContact O-CB 3.36Å; V878-V882 WeakPolarHBondContact O-CG2 3.39Å; V878-V882 PolarHBondContact O-N 3.48Å; L880-V882 PolarHBondContact O-N 3.08Å; V882-G885 PolarHBondContact O-N 3.32Å; V882-M886 HydrophobicContact CG1-CG 4.18Å; V882-M886 HydrophobicContact CG1-SD 3.59Å; V882-M886 VanDerWaalsContact CG1-SD 3.59Å; V882-M886 VanDerWaalsContact O-CB 3.24Å; V882-M886 WeakPolarHBondContact O-CB 3.48Å; V882-M886 WeakPolarHBondContact O-CG 3.34Å; V882-M886 PolarHBondContact O-N 2.89Å
883C94.9Very high94.2Very high54 Ų5420.4 Ų20.437%0.36510%0.103SC..Hα-helixtrans-63.2-49.1179.5-68.80000112.2L879 L880 L887L879-C883 VanDerWaalsContact O-CB 3.24Å; L879-C883 WeakPolarHBondContact O-CB 3.31Å; L879-C883 PolarHBondContact O-N 2.87Å; L879-C883 PolarHBondContact O-SG 3.43Å; L880-C883 PolarHBondContact O-N 3.42Å; C883-L887 WeakPolarHBondContact O-CB 3.23Å; C883-L887 WeakPolarHBondContact O-CG 3.48Å; C883-L887 PolarHBondContact O-N 3.36Å
884I95.9Very high94.2Very high9 Ų920.4 Ų20.45%0.04610%0.103CC..Hα-helixtrans-67.9-41.9-179.9-61.2169.7000109.8Y560 M784 V788 F791 L880 L887 H888Y560-I884 HydrophobicContact CE2-CD1 4.48Å; Y560-I884 HydrophobicContact CE2-CG2 3.84Å; Y560-I884 WeakPolarHBondContact OH-CG2 3.28Å; M784-I884 HydrophobicContact CB-CG2 4.37Å; M784-I884 HydrophobicContact CG-CB 4.07Å; M784-I884 HydrophobicContact CG-CG2 3.41Å; M784-I884 VanDerWaalsContact CG-CG2 3.41Å; V788-I884 HydrophobicContact CG2-CD1 4.19Å; F791-I884 HydrophobicContact CD2-CD1 3.86Å; F791-I884 HydrophobicContact CE2-CD1 4.47Å; L880-I884 HydrophobicContact CB-CD1 4.26Å; L880-I884 HydrophobicContact CD2-CD1 4.42Å; L880-I884 WeakPolarHBondContact O-CB 3.45Å; L880-I884 WeakPolarHBondContact O-CG1 3.14Å; L880-I884 PolarHBondContact O-N 3.09Å; I884-L887 PolarHBondContact O-N 3.32Å; I884-H888 VanDerWaalsContact CG2-CE1 3.5Å; I884-H888 WeakPolarHBondContact CG2-CE1 3.44Å; I884-H888 PolarHBondContact O-N 3.05Å; I884-H888 PolarHBondContact O-ND1 3.2Å
885G93.9Very high94.2Very high2 Ų220.2 Ų20.22%0.02110%0.102CC..Hα-helixtrans-59.6-47.1175.500000112.2T881 V882 L887 H888 A889T881-G885 WeakPolarHBondContact O-CA 3.39Å; T881-G885 PolarHBondContact O-N 3.08Å; V882-G885 PolarHBondContact O-N 3.32Å; G885-L887 PolarHBondContact O-N 3.31Å; G885-H888 PolarHBondContact O-N 3.07Å; G885-A889 WeakPolarHBondContact O-CB 3.24Å; G885-A889 PolarHBondContact O-N 2.83Å
886M92.7Very high94.1Very high27 Ų2719.5 Ų19.513%0.13310%0.099CC..Hα-helixtrans-65.1-37.4175.8-72.9175.364.400112.6Y817 I849 L850 V882 A889 L890Y817-M886 HydrophobicContact CE2-CG 4.29Å; I849-M886 HydrophobicContact CG2-CG 4.42Å; L850-M886 HydrophobicContact CB-CE 4.48Å; L850-M886 HydrophobicContact CD1-CE 3.33Å; L850-M886 HydrophobicContact CG-CE 4.26Å; V882-M886 HydrophobicContact CG1-CG 4.18Å; V882-M886 HydrophobicContact CG1-SD 3.59Å; V882-M886 VanDerWaalsContact CG1-SD 3.59Å; V882-M886 VanDerWaalsContact O-CB 3.24Å; V882-M886 WeakPolarHBondContact O-CB 3.48Å; V882-M886 WeakPolarHBondContact O-CG 3.34Å; V882-M886 PolarHBondContact O-N 2.89Å; M886-A889 PolarHBondContact O-N 3.44Å; M886-L890 HydrophobicContact CE-CD1 4.38Å; M886-L890 VanDerWaalsContact O-CB 3.29Å; M886-L890 WeakPolarHBondContact O-CB 3.2Å; M886-L890 WeakPolarHBondContact O-CG 3.35Å; M886-L890 PolarHBondContact O-N 3.28Å
887L94.2Very high93.9Very high87 Ų8715.5 Ų15.546%0.4558%0.084SC..Hα-helixtrans-62.3-45.9172.8-78170000111.2C883 I884 G885 A889 L891 W892C883-L887 WeakPolarHBondContact O-CB 3.23Å; C883-L887 WeakPolarHBondContact O-CG 3.48Å; C883-L887 PolarHBondContact O-N 3.36Å; I884-L887 PolarHBondContact O-N 3.32Å; G885-L887 PolarHBondContact O-N 3.31Å; L887-A889 VanDerWaalsContact C-N 3.34Å; L887-A889 PolarHBondContact O-N 2.79Å; L887-L891 WeakPolarHBondContact O-CA 3.4Å; L887-L891 WeakPolarHBondContact O-CB 3.46Å; L887-L891 PolarHBondContact O-N 3.33Å; L887-W892 HydrophobicContact CB-CZ3 4.35Å; L887-W892 PolarHBondContact O-N 3.37Å
888H94.6Very high93.6Very high3 Ų315.9 Ų15.91%0.0149%0.086CC..Iπ-helixtrans-60.8-46.4174.2-76.678.7000111.2Y560 T780 S783 I884 G885 W892 L893Y560-H888 AromaticContact CE1-CE1 3.73Å; Y560-H888 AromaticContact CE1-NE2 3.9Å; Y560-H888 AromaticContact CZ-CE1 3.62Å; Y560-H888 PolarHBondContact OH-CE1 2.96Å; T780-H888 HydrophobicContact CG2-CB 3.83Å; S783-H888 PolarHBondContact OG-NE2 2.82Å; I884-H888 VanDerWaalsContact CG2-CE1 3.5Å; I884-H888 WeakPolarHBondContact CG2-CE1 3.44Å; I884-H888 PolarHBondContact O-N 3.05Å; I884-H888 PolarHBondContact O-ND1 3.2Å; G885-H888 PolarHBondContact O-N 3.07Å; H888-W892 AromaticContact CD2-CE3 3.73Å; H888-W892 AromaticContact CE1-CE3 3.54Å; H888-W892 AromaticContact CE1-CZ3 3.39Å; H888-W892 WeakPolarHBondContact CE1-CZ3 3.19Å; H888-W892 AromaticContact CG-CE3 3.77Å; H888-W892 AromaticContact ND1-CE3 3.63Å; H888-W892 AromaticContact ND1-CZ3 3.68Å; H888-W892 AromaticContact NE2-CE3 3.57Å; H888-W892 AromaticContact NE2-CZ3 3.81Å; H888-W892 PolarHBondContact O-N 2.85Å; H888-L893 WeakPolarHBondContact O-CB 3.29Å; H888-L893 PolarHBondContact O-N 2.83Å
889A92.1Very high93.3Very high2 Ų218.3 Ų18.32%0.01710%0.103CC..Iπ-helixtrans-65.8-42.2-175.800000113.4Y817 I821 I849 G885 M886 L887 P894Y817-A889 HydrophobicContact CD2-CB 4.37Å; Y817-A889 HydrophobicContact CG-CB 4.17Å; I821-A889 HydrophobicContact CD1-CB 3.51Å; I821-A889 WeakPolarHBondContact CD1-O 3.47Å; I849-A889 HydrophobicContact CD1-CB 4.34Å; I849-A889 HydrophobicContact CG2-CB 4.01Å; G885-A889 WeakPolarHBondContact O-CB 3.24Å; G885-A889 PolarHBondContact O-N 2.83Å; M886-A889 PolarHBondContact O-N 3.44Å; L887-A889 VanDerWaalsContact C-N 3.34Å; L887-A889 PolarHBondContact O-N 2.79Å; A889-P894 WeakPolarHBondContact O-CD 3.21Å; A889-P894 WeakPolarHBondContact O-CG 3.5Å
890L92.5Very high92.8Very high20 Ų2017 Ų1711%0.10510%0.098CC..Iπ-helixtrans-99.3-12.8-172.6-59.5177.7000113.8F537 Y540 I849 L850 M886F537-L890 HydrophobicContact CE1-CD2 4.32Å; Y540-L890 WeakPolarHBondContact CE1-O 3.35Å; Y540-L890 PolarHBondContact OH-O 3.06Å; I849-L890 HydrophobicContact CB-CD2 4.41Å; I849-L890 HydrophobicContact CG2-CD2 4.21Å; I849-L890 HydrophobicContact CG2-CG 4.33Å; L850-L890 HydrophobicContact CD1-CD1 4.36Å; M886-L890 HydrophobicContact CE-CD1 4.38Å; M886-L890 VanDerWaalsContact O-CB 3.29Å; M886-L890 WeakPolarHBondContact O-CB 3.2Å; M886-L890 WeakPolarHBondContact O-CG 3.35Å; M886-L890 PolarHBondContact O-N 3.28Å
891L94.4Very high91.7Very high26 Ų2617.8 Ų17.814%0.13611%0.107CC..Iπ-helixtrans-123.6-70.2-178.7-175.665.5000112L544 A553 L887 L895L544-L891 HydrophobicContact CD2-CD1 3.42Å; L544-L891 VanDerWaalsContact CD2-CD1 3.42Å; A553-L891 HydrophobicContact CB-CD1 3.93Å; A553-L891 HydrophobicContact CB-CD2 4.3Å; A553-L891 HydrophobicContact CB-CG 4.2Å; L887-L891 WeakPolarHBondContact O-CA 3.4Å; L887-L891 WeakPolarHBondContact O-CB 3.46Å; L887-L891 PolarHBondContact O-N 3.33Å; L891-L895 HydrophobicContact CD1-CD1 4.08Å; L891-L895 HydrophobicContact CG-CD1 4.49Å; L891-L895 WeakPolarHBondContact O-CB 3.48Å; L891-L895 WeakPolarHBondContact O-CD1 3.29Å; L891-L895 WeakPolarHBondContact O-CG 3.41Å; L891-L895 PolarHBondContact O-N 3.27Å
892W94.9Very high90.2Very high11 Ų1123.6 Ų23.64%0.04214%0.138CC..Iπ-helixtrans-76.4-47.3-164.8-64.2-44.2000114.2A553 Y557 Y560 L887 H888 L895 F896A553-W892 PolarHBondContact O-NE1 3.06Å; Y557-W892 HydrophobicContact CD2-CB 4.49Å; Y557-W892 AromaticContact CD2-CD2 3.62Å; Y557-W892 HydrophobicContact CD2-CD2 3.62Å; Y557-W892 AromaticContact CD2-CE2 3.86Å; Y557-W892 AromaticContact CD2-CE3 3.83Å; Y557-W892 HydrophobicContact CD2-CE3 3.83Å; Y557-W892 AromaticContact CD2-CG 3.93Å; Y557-W892 HydrophobicContact CD2-CG 3.93Å; Y557-W892 HydrophobicContact CD2-CH2 4.46Å; Y557-W892 HydrophobicContact CD2-CZ2 4.28Å; Y557-W892 HydrophobicContact CD2-CZ3 4.25Å; Y557-W892 HydrophobicContact CE2-CD2 4.47Å; Y557-W892 HydrophobicContact CE2-CE3 4.34Å; Y557-W892 HydrophobicContact CG-CD2 4.45Å; Y560-W892 AromaticContact CD1-CH2 3.8Å; Y560-W892 HydrophobicContact CD1-CH2 3.8Å; Y560-W892 AromaticContact CD1-CZ3 3.86Å; Y560-W892 HydrophobicContact CD1-CZ3 3.86Å; Y560-W892 AromaticContact CD2-CH2 3.89Å; Y560-W892 HydrophobicContact CD2-CH2 3.89Å; Y560-W892 HydrophobicContact CD2-CZ3 4.23Å; Y560-W892 HydrophobicContact CE1-CH2 4.46Å; Y560-W892 HydrophobicContact CE1-CZ3 4.11Å; Y560-W892 HydrophobicContact CE2-CZ3 4.42Å; Y560-W892 AromaticContact CG-CH2 3.5Å; Y560-W892 HydrophobicContact CG-CH2 3.5Å; Y560-W892 VanDerWaalsContact CG-CH2 3.5Å; Y560-W892 HydrophobicContact CG-CZ2 4.38Å; Y560-W892 AromaticContact CG-CZ3 3.96Å; Y560-W892 HydrophobicContact CG-CZ3 3.96Å; L887-W892 HydrophobicContact CB-CZ3 4.35Å; L887-W892 PolarHBondContact O-N 3.37Å; H888-W892 AromaticContact CD2-CE3 3.73Å; H888-W892 AromaticContact CE1-CE3 3.54Å; H888-W892 AromaticContact CE1-CZ3 3.39Å; H888-W892 WeakPolarHBondContact CE1-CZ3 3.19Å; H888-W892 AromaticContact CG-CE3 3.77Å; H888-W892 AromaticContact ND1-CE3 3.63Å; H888-W892 AromaticContact ND1-CZ3 3.68Å; H888-W892 AromaticContact NE2-CE3 3.57Å; H888-W892 AromaticContact NE2-CZ3 3.81Å; H888-W892 PolarHBondContact O-N 2.85Å; W892-L895 PolarHBondContact O-N 3.17Å; W892-F896 HydrophobicContact CB-CD2 4.31Å; W892-F896 HydrophobicContact CB-CE2 3.78Å; W892-F896 HydrophobicContact CB-CZ 4.24Å; W892-F896 WeakPolarHBondContact O-CD2 3.44Å; W892-F896 VanDerWaalsContact O-CG 3.26Å; W892-F896 WeakPolarHBondContact O-CG 3.4Å; W892-F896 PolarHBondContact O-N 2.87Å
893L93.7Very high87.9Confident0 Ų029 Ų290%018%0.175CC..Hα-helixtrans-62.1-47.2-178.3176.262.3000112.6W776 A818 I821 H888 L895 F896 L897W776-L893 HydrophobicContact CB-CD1 3.99Å; A818-L893 HydrophobicContact CB-CD2 3.9Å; I821-L893 HydrophobicContact CB-CD2 3.97Å; I821-L893 HydrophobicContact CD1-CD2 4.1Å; I821-L893 HydrophobicContact CG2-CD2 3.83Å; I821-L893 HydrophobicContact CG2-CG 4.01Å; H888-L893 WeakPolarHBondContact O-CB 3.29Å; H888-L893 PolarHBondContact O-N 2.83Å; L893-L895 VanDerWaalsContact C-N 3.29Å; L893-L895 PolarHBondContact O-N 3.03Å; L893-F896 PolarHBondContact O-N 3.23Å; L893-L897 HydrophobicContact CD1-CD1 4.07Å; L893-L897 HydrophobicContact CD1-CG 4Å; L893-L897 HydrophobicContact CG-CD1 4.1Å; L893-L897 HydrophobicContact CG-CG 4.46Å; L893-L897 WeakPolarHBondContact O-CG 3.43Å; L893-L897 PolarHBondContact O-N 3.42Å
894P93.7Very high85.2Confident0 Ų029.8 Ų29.80%018%0.181CC..Hα-helixtrans-57-41.3173.4-25.935000112.9L838 L841 L842 A889 L897 V898L838-P894 HydrophobicContact CD1-CB 3.63Å; L841-P894 HydrophobicContact CD2-CB 4.07Å; L841-P894 HydrophobicContact CD2-CG 4.45Å; L842-P894 HydrophobicContact CD2-CG 4.2Å; A889-P894 WeakPolarHBondContact O-CD 3.21Å; A889-P894 WeakPolarHBondContact O-CG 3.5Å; P894-L897 PolarHBondContact O-N 3.32Å; P894-V898 WeakPolarHBondContact O-CB 3.49Å; P894-V898 VanDerWaalsContact O-CG2 3.27Å; P894-V898 WeakPolarHBondContact O-CG2 3.43Å; P894-V898 PolarHBondContact O-N 2.9Å
895L92.5Very high82.6Confident2 Ų231.8 Ų31.81%0.0120%0.204CC..Hα-helixtrans-66.6-40.5177.8-71.4176.3000112.2K550 A553 F554 L891 W892 L893 S899K550-L895 HydrophobicContact CG-CD2 4.08Å; A553-L895 HydrophobicContact CB-CD1 3.69Å; F554-L895 HydrophobicContact CZ-CB 4.33Å; L891-L895 HydrophobicContact CD1-CD1 4.08Å; L891-L895 HydrophobicContact CG-CD1 4.49Å; L891-L895 WeakPolarHBondContact O-CB 3.48Å; L891-L895 WeakPolarHBondContact O-CD1 3.29Å; L891-L895 WeakPolarHBondContact O-CG 3.41Å; L891-L895 PolarHBondContact O-N 3.27Å; W892-L895 PolarHBondContact O-N 3.17Å; L893-L895 VanDerWaalsContact C-N 3.29Å; L893-L895 PolarHBondContact O-N 3.03Å; L895-S899 WeakPolarHBondContact O-CB 3.26Å; L895-S899 PolarHBondContact O-N 3.12Å; L895-S899 PolarHBondContact O-OG 3.35Å
896F92.1Very high79.9Confident19 Ų1942 Ų428%0.08325%0.247CC..Hα-helixtrans-62.3-46.5174.6-67.8-40000111.8F554 Y557 W776 F779 W892 L893 S899 S900F554-F896 HydrophobicContact CD1-CE1 4Å; F554-F896 AromaticContact CE1-CD1 3.73Å; F554-F896 HydrophobicContact CE1-CD1 3.73Å; F554-F896 AromaticContact CE1-CE1 3.56Å; F554-F896 HydrophobicContact CE1-CE1 3.56Å; Y557-F896 HydrophobicContact CD1-CZ 4.04Å; Y557-F896 HydrophobicContact CD2-CZ 4.1Å; Y557-F896 AromaticContact CE1-CZ 3.99Å; Y557-F896 HydrophobicContact CE1-CZ 3.99Å; Y557-F896 HydrophobicContact CE2-CE2 4.24Å; Y557-F896 HydrophobicContact CE2-CZ 4.05Å; Y557-F896 HydrophobicContact CG-CZ 4.09Å; Y557-F896 AromaticContact CZ-CZ 4Å; W776-F896 HydrophobicContact CD2-CB 4.14Å; W776-F896 HydrophobicContact CE3-CB 3.75Å; W776-F896 AromaticContact CE3-CD2 3.99Å; W776-F896 HydrophobicContact CE3-CD2 3.99Å; W776-F896 HydrophobicContact CE3-CG 4.01Å; W776-F896 HydrophobicContact CH2-CB 3.71Å; W776-F896 HydrophobicContact CH2-CD1 4Å; W776-F896 HydrophobicContact CH2-CD2 4.47Å; W776-F896 AromaticContact CH2-CG 3.84Å; W776-F896 HydrophobicContact CH2-CG 3.84Å; W776-F896 HydrophobicContact CZ2-CB 4.08Å; W776-F896 HydrophobicContact CZ3-CB 3.54Å; W776-F896 AromaticContact CZ3-CD1 3.95Å; W776-F896 HydrophobicContact CZ3-CD1 3.95Å; W776-F896 AromaticContact CZ3-CD2 3.65Å; W776-F896 HydrophobicContact CZ3-CD2 3.65Å; W776-F896 HydrophobicContact CZ3-CE2 4.33Å; W776-F896 AromaticContact CZ3-CG 3.46Å; W776-F896 HydrophobicContact CZ3-CG 3.46Å; W776-F896 VanDerWaalsContact CZ3-CG 3.46Å; F779-F896 HydrophobicContact CE1-CE2 4.05Å; F779-F896 HydrophobicContact CE1-CZ 4.34Å; W892-F896 HydrophobicContact CB-CD2 4.31Å; W892-F896 HydrophobicContact CB-CE2 3.78Å; W892-F896 HydrophobicContact CB-CZ 4.24Å; W892-F896 WeakPolarHBondContact O-CD2 3.44Å; W892-F896 VanDerWaalsContact O-CG 3.26Å; W892-F896 WeakPolarHBondContact O-CG 3.4Å; W892-F896 PolarHBondContact O-N 2.87Å; L893-F896 PolarHBondContact O-N 3.23Å; F896-S899 PolarHBondContact O-N 2.83Å; F896-S900 WeakPolarHBondContact O-CB 3.32Å; F896-S900 PolarHBondContact O-N 3.47Å; F896-S900 PolarHBondContact O-OG 3.3Å
897L90.6Very high77Confident0 Ų052.5 Ų52.50%029%0.286CS..Hα-helixtrans-63.5-45.2179.1-70.8173.8000112.3W776 I821 F825 Y826 L893 P894 S900 A901W776-L897 HydrophobicContact CB-CD2 4.23Å; W776-L897 HydrophobicContact CG-CD2 4.1Å; I821-L897 HydrophobicContact CG2-CD1 3.8Å; F825-L897 HydrophobicContact CB-CD1 4.08Å; F825-L897 HydrophobicContact CD1-CB 4.06Å; F825-L897 HydrophobicContact CD1-CD1 4.24Å; F825-L897 HydrophobicContact CD1-CD2 4.31Å; F825-L897 HydrophobicContact CD1-CG 4.45Å; F825-L897 HydrophobicContact CD2-CB 4.28Å; F825-L897 HydrophobicContact CE1-CB 3.9Å; F825-L897 HydrophobicContact CE2-CB 4.12Å; F825-L897 HydrophobicContact CG-CB 4.23Å; F825-L897 HydrophobicContact CG-CD1 4.06Å; F825-L897 HydrophobicContact CZ-CB 3.92Å; F825-L897 WeakPolarHBondContact CZ-O 3.46Å; Y826-L897 HydrophobicContact CE2-CD2 4.49Å; L893-L897 HydrophobicContact CD1-CD1 4.07Å; L893-L897 HydrophobicContact CD1-CG 4Å; L893-L897 HydrophobicContact CG-CD1 4.1Å; L893-L897 HydrophobicContact CG-CG 4.46Å; L893-L897 WeakPolarHBondContact O-CG 3.43Å; L893-L897 PolarHBondContact O-N 3.42Å; P894-L897 PolarHBondContact O-N 3.32Å; L897-S900 WeakPolarHBondContact CA-OG 3.29Å; L897-S900 PolarHBondContact O-OG 3.07Å; L897-A901 PolarHBondContact O-N 3.46Å; L897-A901 VanDerWaalsContact O-N 3.15Å
898V89.5Confident74.2Confident7 Ų752 Ų524%0.04229%0.289CS..Hα-helixtrans-68.8-37.8179.3171.80000111.4F825 K834 L838 P894F825-V898 HydrophobicContact CE2-CG2 3.82Å; F825-V898 HydrophobicContact CZ-CG2 4.46Å; K834-V898 HydrophobicContact CB-CG1 3.55Å; K834-V898 HydrophobicContact CD-CG1 3.99Å; K834-V898 WeakPolarHBondContact CD-O 3.48Å; K834-V898 WeakPolarHBondContact CE-O 3.35Å; K834-V898 HydrophobicContact CG-CG1 3.83Å; K834-V898 PolarHBondContact NZ-O 3.36Å; L838-V898 HydrophobicContact CB-CG2 4.13Å; L838-V898 HydrophobicContact CD1-CG2 4.25Å; P894-V898 WeakPolarHBondContact O-CB 3.49Å; P894-V898 VanDerWaalsContact O-CG2 3.27Å; P894-V898 WeakPolarHBondContact O-CG2 3.43Å; P894-V898 PolarHBondContact O-N 2.9Å
899S86.6Confident71.6Confident52 Ų5256.4 Ų56.436%0.36431%0.306SS..Hα-helixtrans-66.2-44.2178.7-61.10000111.7K834 L895 F896 A901K834-S899 PolarHBondContact NZ-O 3.42Å; K834-S899 VanDerWaalsContact NZ-O 3.16Å; L895-S899 WeakPolarHBondContact O-CB 3.26Å; L895-S899 PolarHBondContact O-N 3.12Å; L895-S899 PolarHBondContact O-OG 3.35Å; F896-S899 PolarHBondContact O-N 2.83Å; S899-A901 PolarHBondContact O-N 3.47Å
900S84.5Confident68.8Low19 Ų1960.7 Ų60.713%0.13333%0.327CS..Hα-helixtrans-73.5-19.8-179.555.40000114.6H772 F896 L897 N902 S903H772-S900 PolarHBondContact CE1-OG 3.41Å; F896-S900 WeakPolarHBondContact O-CB 3.32Å; F896-S900 PolarHBondContact O-N 3.47Å; F896-S900 PolarHBondContact O-OG 3.3Å; L897-S900 WeakPolarHBondContact CA-OG 3.29Å; L897-S900 PolarHBondContact O-OG 3.07Å; S900-N902 PolarHBondContact O-N 2.99Å; S900-S903 PolarHBondContact O-N 2.64Å; S900-S903 VanDerWaalsContact O-N 3.11Å
901A74.4Confident65.8Low33 Ų3363.5 Ų63.527%0.27335%0.354SS..Hα-helixtrans-57.6-23.9-175.700000115.6F825 L897 S899F825-A901 HydrophobicContact CZ-CB 4.17Å; L897-A901 PolarHBondContact O-N 3.46Å; L897-A901 VanDerWaalsContact O-N 3.15Å; S899-A901 PolarHBondContact O-N 3.47Å
902N61.5Low62.8Low123 Ų12367.6 Ų67.666%0.65838%0.382SS*.Hα-helixtrans-78.9-26.2179.4-813.8000113.7K834 S900K834-N902 WeakPolarHBondContact CE-ND2 3.43Å; K834-N902 WeakPolarHBondContact CE-OD1 3.3Å; K834-N902 PolarHBondContact NZ-ND2 3.48Å; K834-N902 VanDerWaalsContact NZ-ND2 3.19Å; S900-N902 PolarHBondContact O-N 2.99Å
903S47Very low59.6Low112 Ų11275.6 Ų75.678%0.78342%0.417SS*.Hα-helixtrans-86-19.1-167.1-55.60000114S900S900-S903 PolarHBondContact O-N 2.64Å; S900-S903 VanDerWaalsContact O-N 3.11Å
904C38.8Very low56.4Low71 Ų7185 Ų8548%0.4846%0.457SS..Hα-helixtrans-127-5.5-170.2-127.80000115.6K906 R907C904-K906 VanDerWaalsContact C-N 3.32Å; C904-K906 PolarHBondContact O-N 2.98Å; C904-K906 VanDerWaalsContact O-N 3.15Å; C904-R907 PolarHBondContact O-N 3.11Å
905G40Very low53.3Low51 Ų5188.3 Ų88.353%0.52648%0.481SS..THydrogen-bonded Turntrans-65-19.9-16700000117.1
906K37.2Very low50Low217 Ų21792.4 Ų92.494%0.94351%0.51SS*.THydrogen-bonded Turntrans-87-14.5-178.5-79.6-173.7178.3178.90115.2C904C904-K906 VanDerWaalsContact C-N 3.32Å; C904-K906 PolarHBondContact O-N 2.98Å; C904-K906 VanDerWaalsContact O-N 3.15Å
907R31.6Very low46.9Very low248 Ų24898.2 Ų98.294%0.93654%0.54SS*.THydrogen-bonded Turntrans-120.6-18.1-170.6-94.5-177.8176.5173.3-1.1117.7C904C904-R907 PolarHBondContact O-N 3.11Å
908S36Very low43.7Very low75 Ų75102.7 Ų102.752%0.52458%0.577SS.*SBendtrans-111.12.9-167.770.30000117.8
909R39.6Very low40.7Very low97 Ų97109.2 Ų109.237%0.36661%0.611SS.*  trans-98.9107.2-179.4-68.6-166.9-165.7-164.96.4112.4Y826 A911Y826-R909 PolarHBondContact O-NH1 3.03Å; R909-A911 PolarHBondContact O-N 3.44Å
910I33.8Very low37.7Very low92 Ų92112.5 Ų112.547%0.47263%0.632SS.*  trans-48.5131.1162.8-66168.1000108.2P6P6-I910 HydrophobicContact CG-CD1 3.32Å
911A30.2Very low34.9Very low79 Ų79120 Ų12065%0.65367%0.67SS**  trans-34125.5-166.800000112.8R909 K913R909-A911 PolarHBondContact O-N 3.44Å; A911-K913 PolarHBondContact O-N 2.84Å
912P30.1Very low32.4Very low112 Ų112123.6 Ų123.673%0.72769%0.693SS**  trans-53.4140.3176.622.7-30.7000108K914P912-K914 PolarHBondContact O-N 3.12Å
913K29.3Very low30.7Very low179 Ų179127.1 Ų127.178%0.77873%0.727SS**  trans-40.9113.5159.9-91.2177.4175.5171.70104.4A911 S915A911-K913 PolarHBondContact O-N 2.84Å; K913-S915 PolarHBondContact O-N 3.06Å
914K25.2Very low29.9Very low196 Ų196127.9 Ų127.985%0.85272%0.724SS**  trans-52.2100.3165.7-83.8-175.1175.2-176.80103.4P912 S916P912-K914 PolarHBondContact O-N 3.12Å; K914-S916 PolarHBondContact O-N 3.02Å; K914-S916 VanDerWaalsContact O-N 3.08Å
915S28.6Very low29.4Very low71 Ų71130.8 Ų130.850%0.49774%0.737SS.*  trans-49.1121.3158.648.80000102.7K913 I917K913-S915 PolarHBondContact O-N 3.06Å; S915-I917 PolarHBondContact O-N 3.13Å; S915-I917 WeakPolarHBondContact OG-CD1 3.34Å
916S24.1Very low28.8Very low88 Ų88135.3 Ų135.362%0.61575%0.749SS**SBendtrans-70.152.7-177.8-56.60000110.1K914 A918K914-S916 PolarHBondContact O-N 3.02Å; K914-S916 VanDerWaalsContact O-N 3.08Å; S916-A918 PolarHBondContact O-N 3.27Å
917I25.9Very low28.4Very low140 Ų140130.5 Ų130.572%0.71874%0.737SS**THydrogen-bonded Turntrans-74.6-7.3176.3-66177000110.3S915S915-I917 PolarHBondContact O-N 3.13Å; S915-I917 WeakPolarHBondContact OG-CD1 3.34Å
918A24.7Very low28.1Very low95 Ų95123.1 Ų123.179%0.78573%0.725SS**THydrogen-bonded Turntrans-9418.1-179.400000115.7S916S916-A918 PolarHBondContact O-N 3.27Å
919I25.8Very low27.6Very low144 Ų144126.3 Ų126.374%0.73874%0.738SS**SBendtrans-130.452.6170.9-43.6179000111.2
920C23.8Very low26.8Very low121 Ų121128.4 Ų128.482%0.81877%0.765SS**SBendtrans-13227.8162.4-82.60000112.3
921L25Very low26.2Very low177 Ų177131.2 Ų131.293%0.92779%0.787SS**SBendtrans-132.660166.6-73.7172000110.4
922S21.6Very low25.9Very low107 Ų107135.6 Ų135.675%0.74880%0.798SS**  trans-173.1139.2141.866.10000110.2
923S26.7Very low25.5Very low197 Ų197137.7 Ų137.7100%1.37881%0.805SS**  trans75.30-173.790.70000116.5

Retrieved 923 of 923 residues in 1374.3 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).