A0A096M6V2_POEFO Loading...

Fucose-1-phosphate guanylyltransferase

AlphaFold DB , UniProt , Accession A0A096M6V2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 581 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S58.2Low76.5Confident127 Ų12778.8 Ų78.889%0.88846%0.457SS*.  0-60051.80000111.7S3 M4 S5S1-S3 PolarHBondContact O-N 2.97Å; S1-M4 PolarHBondContact O-N 3.28Å; S1-S5 PolarHBondContact O-N 3.24Å; S1-S5 VanDerWaalsContact O-N 3.1Å
2A60Low78Confident77 Ų7772.3 Ų72.364%0.63642%0.419SS*.Hα-helixtrans-61.5-42.8-176.300000115.1M4 S5 Q6A2-M4 PolarHBondContact O-N 2.79Å; A2-S5 PolarHBondContact O-N 3.21Å; A2-Q6 WeakPolarHBondContact O-CB 3.3Å; A2-Q6 PolarHBondContact O-N 3.1Å; A2-Q6 VanDerWaalsContact O-N 3.08Å
3S63.3Low79.4Confident84 Ų8469.8 Ų69.859%0.58740%0.401SS*.Hα-helixtrans-66.5-34.3179.758.90000113.8S1 A7S1-S3 PolarHBondContact O-N 2.97Å; S3-A7 PolarHBondContact O-N 3.33Å; S3-A7 VanDerWaalsContact O-N 3.1Å
4M67.6Low80.5Confident91 Ų9169.7 Ų69.745%0.44840%0.403SS..Hα-helixtrans-74.9-42.6177.2-74.8-174.770.100111.8S1 A2 Q6 A7 C8 L249S1-M4 PolarHBondContact O-N 3.28Å; A2-M4 PolarHBondContact O-N 2.79Å; M4-Q6 VanDerWaalsContact C-N 3.28Å; M4-Q6 PolarHBondContact O-N 3.42Å; M4-A7 PolarHBondContact O-N 3.37Å; M4-A7 VanDerWaalsContact O-N 3.11Å; M4-C8 WeakPolarHBondContact O-CB 3.14Å; M4-C8 PolarHBondContact O-N 3.03Å; M4-L249 HydrophobicContact CE-CD1 4.19Å
5S72.5Confident81.6Confident41 Ų4166 Ų6629%0.28738%0.384SS..Hα-helixtrans-59.1-40.4173.7175.90000111.9S1 A2 C8 S9 S251S1-S5 PolarHBondContact O-N 3.24Å; S1-S5 VanDerWaalsContact O-N 3.1Å; A2-S5 PolarHBondContact O-N 3.21Å; S5-C8 PolarHBondContact O-N 3.36Å; S5-S9 WeakPolarHBondContact O-CB 3.39Å; S5-S9 PolarHBondContact O-N 3.12Å; S5-S9 PolarHBondContact O-OG 3.18Å; S5-S251 PolarHBondContact OG-OG 3.17Å
6Q78.5Confident82.5Confident119 Ų11961.9 Ų61.956%0.55636%0.36SS*.Hα-helixtrans-69.1-32.1175.1-164.4-178.223.400113.2A2 M4 R10A2-Q6 WeakPolarHBondContact O-CB 3.3Å; A2-Q6 PolarHBondContact O-N 3.1Å; A2-Q6 VanDerWaalsContact O-N 3.08Å; M4-Q6 VanDerWaalsContact C-N 3.28Å; M4-Q6 PolarHBondContact O-N 3.42Å; Q6-R10 WeakPolarHBondContact O-CB 3.45Å; Q6-R10 WeakPolarHBondContact O-CG 3.45Å; Q6-R10 PolarHBondContact O-N 3.5Å; Q6-R10 VanDerWaalsContact O-N 3.17Å; Q6-R10 PolarHBondContact O-NE 3.12Å
7A84.3Confident83.3Confident40 Ų4062.5 Ų62.533%0.33136%0.355SS..Hα-helixtrans-70.5-43.7174.600000111.8S3 M4 R10 K11S3-A7 PolarHBondContact O-N 3.33Å; S3-A7 VanDerWaalsContact O-N 3.1Å; M4-A7 PolarHBondContact O-N 3.37Å; M4-A7 VanDerWaalsContact O-N 3.11Å; A7-R10 PolarHBondContact O-N 3.16Å; A7-K11 PolarHBondContact O-N 2.96Å
8C85.4Confident84Confident23 Ų2364.6 Ų64.616%0.15536%0.361CS..Hα-helixtrans-56.8-52.5173.7169.40000111.2M4 S5 R10 K11 L12 N343M4-C8 WeakPolarHBondContact O-CB 3.14Å; M4-C8 PolarHBondContact O-N 3.03Å; S5-C8 PolarHBondContact O-N 3.36Å; C8-R10 VanDerWaalsContact C-N 3.3Å; C8-R10 PolarHBondContact O-N 3.07Å; C8-K11 WeakPolarHBondContact O-CB 3.42Å; C8-K11 PolarHBondContact O-N 3.47Å; C8-L12 PolarHBondContact O-N 2.97Å; C8-N343 PolarHBondContact SG-OD1 3.4Å
9S88.1Confident84.7Confident26 Ų2662.2 Ų62.218%0.18235%0.346CS..Hα-helixtrans-60-37.9178.7-50.30000112.5S5 L12 Q13 E368S5-S9 WeakPolarHBondContact O-CB 3.39Å; S5-S9 PolarHBondContact O-N 3.12Å; S5-S9 PolarHBondContact O-OG 3.18Å; S9-L12 PolarHBondContact O-N 3.28Å; S9-Q13 WeakPolarHBondContact O-CB 3.48Å; S9-Q13 PolarHBondContact O-N 2.9Å; S9-E368 PolarHBondContact OG-OE1 3.49Å
10R91.3Very high85.3Confident138 Ų13859.9 Ų59.952%0.52133%0.333SS..Hα-helixtrans-65.1-39.3174.3-80.4-177.4-71.9-172.3-1.5113Q6 A7 C8 Q13 T14Q6-R10 WeakPolarHBondContact O-CB 3.45Å; Q6-R10 WeakPolarHBondContact O-CG 3.45Å; Q6-R10 PolarHBondContact O-N 3.5Å; Q6-R10 VanDerWaalsContact O-N 3.17Å; Q6-R10 PolarHBondContact O-NE 3.12Å; A7-R10 PolarHBondContact O-N 3.16Å; C8-R10 VanDerWaalsContact C-N 3.3Å; C8-R10 PolarHBondContact O-N 3.07Å; R10-Q13 PolarHBondContact O-N 3.37Å; R10-T14 PolarHBondContact O-N 2.96Å; R10-T14 PolarHBondContact O-OG1 3.22Å; R10-T14 VanDerWaalsContact O-OG1 3.12Å
11K92.8Very high85.9Confident101 Ų10164.3 Ų64.344%0.43935%0.345SS..Hα-helixtrans-64.3-43.2174.9-72.9-177.3172.7-172.90111.4A7 C8 Q13 T14 A15 E218A7-K11 PolarHBondContact O-N 2.96Å; C8-K11 WeakPolarHBondContact O-CB 3.42Å; C8-K11 PolarHBondContact O-N 3.47Å; K11-Q13 PolarHBondContact O-N 3.48Å; K11-T14 PolarHBondContact O-N 3.4Å; K11-A15 WeakPolarHBondContact O-CB 3.47Å; K11-A15 PolarHBondContact O-N 3.05Å; K11-E218 IonicContact NZ-OE1 2.82Å; K11-E218 PolarHBondContact NZ-OE1 3.02Å; K11-E218 IonicContact NZ-OE2 3.18Å
12L94.2Very high87.7Confident0 Ų062.6 Ų62.60%032%0.319CS..Hα-helixtrans-59.3-46174.2-66.3176.5000111.5C8 S9 T14 A15 T16 L172 N343 K345 E368C8-L12 PolarHBondContact O-N 2.97Å; S9-L12 PolarHBondContact O-N 3.28Å; L12-T14 PolarHBondContact O-N 2.96Å; L12-A15 PolarHBondContact O-N 2.86Å; L12-T16 VanDerWaalsContact O-CB 3.25Å; L12-T16 WeakPolarHBondContact O-CB 3.15Å; L12-T16 PolarHBondContact O-N 2.94Å; L12-T16 PolarHBondContact O-OG1 3.41Å; L12-L172 HydrophobicContact CD2-CB 4.36Å; L12-N343 WeakPolarHBondContact CD2-O 3.2Å; L12-K345 HydrophobicContact CD1-CB 4.39Å; L12-K345 HydrophobicContact CD1-CD 4.11Å; L12-K345 HydrophobicContact CD1-CG 3.82Å; L12-E368 HydrophobicContact CB-CG 4.32Å
13Q95.5Very high89.5Confident40 Ų4058.9 Ų58.919%0.18729%0.289CS..Hα-helixtrans-59.5-46.2177.3-168.6-171.45000112S9 R10 K11 T16 R17 G367 E368S9-Q13 WeakPolarHBondContact O-CB 3.48Å; S9-Q13 PolarHBondContact O-N 2.9Å; R10-Q13 PolarHBondContact O-N 3.37Å; K11-Q13 PolarHBondContact O-N 3.48Å; Q13-T16 PolarHBondContact O-N 3.08Å; Q13-R17 VanDerWaalsContact CD-NH1 3.27Å; Q13-R17 WeakPolarHBondContact O-CB 3.47Å; Q13-R17 WeakPolarHBondContact O-CG 3.31Å; Q13-R17 PolarHBondContact O-N 3.19Å; Q13-R17 VanDerWaalsContact OE1-NH1 3.12Å; Q13-G367 PolarHBondContact NE2-O 3.12Å; Q13-E368 WeakPolarHBondContact CA-O 3.28Å
14T95.9Very high91.1Very high69 Ų6958 Ų5842%0.42328%0.277SS..Hα-helixtrans-62.2-50.4177.8-61.90000111.6R10 K11 L12 T16 R17 E18R10-T14 PolarHBondContact O-N 2.96Å; R10-T14 PolarHBondContact O-OG1 3.22Å; R10-T14 VanDerWaalsContact O-OG1 3.12Å; K11-T14 PolarHBondContact O-N 3.4Å; L12-T14 PolarHBondContact O-N 2.96Å; T14-T16 VanDerWaalsContact C-N 3.31Å; T14-T16 PolarHBondContact O-N 3.46Å; T14-R17 PolarHBondContact O-N 3.03Å; T14-E18 WeakPolarHBondContact O-CG 3.36Å; T14-E18 PolarHBondContact O-N 3.17Å
15A95.9Very high92.5Very high14 Ų1457.3 Ų57.312%0.11628%0.281CS..Hα-helixtrans-61.6-39.8179.600000112.1K11 L12 E18 K19K11-A15 WeakPolarHBondContact O-CB 3.47Å; K11-A15 PolarHBondContact O-N 3.05Å; L12-A15 PolarHBondContact O-N 2.86Å; A15-E18 PolarHBondContact O-N 3.41Å; A15-K19 WeakPolarHBondContact O-CG 3.49Å; A15-K19 PolarHBondContact O-N 3.29Å
16T96.4Very high93.7Very high1 Ų155.5 Ų55.51%0.00627%0.268CS..Hα-helixtrans-63-47.6175.9-590000110.9L12 Q13 T14 E18 K19 L20 M150 L172 L369L12-T16 VanDerWaalsContact O-CB 3.25Å; L12-T16 WeakPolarHBondContact O-CB 3.15Å; L12-T16 PolarHBondContact O-N 2.94Å; L12-T16 PolarHBondContact O-OG1 3.41Å; Q13-T16 PolarHBondContact O-N 3.08Å; T14-T16 VanDerWaalsContact C-N 3.31Å; T14-T16 PolarHBondContact O-N 3.46Å; T16-E18 VanDerWaalsContact C-N 3.3Å; T16-E18 PolarHBondContact O-N 2.95Å; T16-K19 PolarHBondContact O-N 3.39Å; T16-L20 HydrophobicContact CG2-CD1 4.07Å; T16-L20 WeakPolarHBondContact O-CG 3.41Å; T16-L20 PolarHBondContact O-N 3.45Å; T16-M150 HydrophobicContact CG2-CE 3.92Å; T16-M150 HydrophobicContact CG2-SD 4.36Å; T16-L172 HydrophobicContact CG2-CD2 4.31Å; T16-L369 HydrophobicContact CG2-CD2 3.77Å
17R96.3Very high94.5Very high72 Ų7251.4 Ų51.427%0.27225%0.248SC..Hα-helixtrans-60.2-39.2176.7-77176.4173.8148.2-2.9112.2Q13 T14 R21 D370Q13-R17 VanDerWaalsContact CD-NH1 3.27Å; Q13-R17 WeakPolarHBondContact O-CB 3.47Å; Q13-R17 WeakPolarHBondContact O-CG 3.31Å; Q13-R17 PolarHBondContact O-N 3.19Å; Q13-R17 VanDerWaalsContact OE1-NH1 3.12Å; T14-R17 PolarHBondContact O-N 3.03Å; R17-R21 WeakPolarHBondContact O-CB 3.46Å; R17-R21 VanDerWaalsContact O-CG 3.25Å; R17-R21 WeakPolarHBondContact O-CG 3.26Å; R17-R21 PolarHBondContact O-N 3.08Å; R17-D370 IonicContact CZ-OD2 3.37Å; R17-D370 IonicContact NE-OD2 3.88Å; R17-D370 PolarHBondContact NE-OD2 2.91Å; R17-D370 IonicContact NH2-OD1 2.64Å; R17-D370 PolarHBondContact NH2-OD1 2.91Å; R17-D370 IonicContact NH2-OD2 3.31Å; R17-D370 PolarHBondContact NH2-OD2 3.48Å
18E96.4Very high95.1Very high100 Ų10050.8 Ų50.847%0.46725%0.245SC..Hα-helixtrans-64.7-45.2176.7-74.3172.7-178.400112.5T14 A15 T16 R21 R22T14-E18 WeakPolarHBondContact O-CG 3.36Å; T14-E18 PolarHBondContact O-N 3.17Å; A15-E18 PolarHBondContact O-N 3.41Å; T16-E18 VanDerWaalsContact C-N 3.3Å; T16-E18 PolarHBondContact O-N 2.95Å; E18-R21 PolarHBondContact O-N 3.08Å; E18-R22 WeakPolarHBondContact O-CB 3.47Å; E18-R22 PolarHBondContact O-N 3.32Å
19K96.8Very high95.6Very high18 Ų1854.6 Ų54.68%0.07826%0.257CS..Hα-helixtrans-59.6-45.7174.5-75169.1-175.5162.70112.1A15 T16 R22 L23 A149 M150 V152 Y173A15-K19 WeakPolarHBondContact O-CG 3.49Å; A15-K19 PolarHBondContact O-N 3.29Å; T16-K19 PolarHBondContact O-N 3.39Å; K19-R22 PolarHBondContact O-N 3.35Å; K19-L23 PolarHBondContact O-N 3.32Å; K19-A149 WeakPolarHBondContact CB-O 3.42Å; K19-M150 HydrophobicContact CB-CE 4.02Å; K19-M150 HydrophobicContact CD-CE 4.34Å; K19-M150 HydrophobicContact CD-SD 4.33Å; K19-V152 HydrophobicContact CB-CG1 4.23Å; K19-V152 HydrophobicContact CG-CG1 4.29Å; K19-Y173 VanDerWaalsContact NZ-CD2 3.31Å; K19-Y173 PolarHBondContact NZ-O 2.94Å
20L97.3Very high96Very high16 Ų1660.3 Ų60.38%0.08428%0.28CS..Hα-helixtrans-62.1-42.9175.1-68.4170.7000112T16 R22 L23 N24 L136 Y141 F146 A149 M150T16-L20 HydrophobicContact CG2-CD1 4.07Å; T16-L20 WeakPolarHBondContact O-CG 3.41Å; T16-L20 PolarHBondContact O-N 3.45Å; L20-R22 VanDerWaalsContact C-N 3.31Å; L20-R22 PolarHBondContact O-N 3.04Å; L20-L23 PolarHBondContact O-N 3.3Å; L20-N24 WeakPolarHBondContact O-CB 3.44Å; L20-N24 VanDerWaalsContact O-CG 3.31Å; L20-N24 PolarHBondContact O-N 3.26Å; L20-N24 PolarHBondContact O-ND2 3.37Å; L20-L136 HydrophobicContact CD1-CD1 3.68Å; L20-L136 HydrophobicContact CD2-CD1 4.13Å; L20-Y141 HydrophobicContact CD2-CD1 4.36Å; L20-Y141 HydrophobicContact CD2-CE1 3.86Å; L20-Y141 HydrophobicContact CD2-CE2 4.12Å; L20-Y141 PolarHBondContact O-OH 3.49Å; L20-F146 HydrophobicContact CD2-CD2 4.16Å; L20-F146 HydrophobicContact CD2-CE2 4.35Å; L20-A149 HydrophobicContact CD2-CB 3.78Å; L20-M150 HydrophobicContact CD2-CE 4.31Å; L20-M150 HydrophobicContact CG-CE 4.29Å
21R97.1Very high96.2Very high154 Ų15454.6 Ų54.658%0.58126%0.261SS*.Hα-helixtrans-61.2-40.3174.4-75.9177.3-164.8127.1-0.3111.9R17 E18 N24 S25R17-R21 WeakPolarHBondContact O-CB 3.46Å; R17-R21 VanDerWaalsContact O-CG 3.25Å; R17-R21 WeakPolarHBondContact O-CG 3.26Å; R17-R21 PolarHBondContact O-N 3.08Å; E18-R21 PolarHBondContact O-N 3.08Å; R21-N24 PolarHBondContact O-N 2.89Å; R21-S25 PolarHBondContact O-N 2.88Å
22R96.6Very high96.1Very high90 Ų9055.4 Ų55.434%0.3427%0.269SS..Hα-helixtrans-66.8-42.4177.9-176.4171.4167.5178.30.1112E18 K19 L20 N24 S25 L26 V152E18-R22 WeakPolarHBondContact O-CB 3.47Å; E18-R22 PolarHBondContact O-N 3.32Å; K19-R22 PolarHBondContact O-N 3.35Å; L20-R22 VanDerWaalsContact C-N 3.31Å; L20-R22 PolarHBondContact O-N 3.04Å; R22-N24 VanDerWaalsContact C-N 3.34Å; R22-S25 PolarHBondContact O-N 3.26Å; R22-S25 PolarHBondContact O-OG 2.78Å; R22-L26 WeakPolarHBondContact O-CG 3.37Å; R22-V152 HydrophobicContact CB-CG1 4.03Å; R22-V152 HydrophobicContact CB-CG2 4.32Å; R22-V152 HydrophobicContact CG-CG1 4.04Å; R22-V152 HydrophobicContact CG-CG2 3.75Å; R22-V152 PolarHBondContact NH2-O 2.73Å
23L97.4Very high95.8Very high0 Ų061.1 Ų61.10%031%0.306CS..Hα-helixtrans-64.3-42.8173-178.264.9000111.1K19 L20 S25 L26 R27 F36 P67 Y141 E145 L148 A149 V152K19-L23 PolarHBondContact O-N 3.32Å; L20-L23 PolarHBondContact O-N 3.3Å; L23-S25 VanDerWaalsContact C-N 3.26Å; L23-S25 PolarHBondContact O-N 3.02Å; L23-L26 WeakPolarHBondContact O-CB 3.46Å; L23-L26 PolarHBondContact O-N 2.71Å; L23-R27 PolarHBondContact O-N 3.23Å; L23-R27 VanDerWaalsContact O-N 3.12Å; L23-F36 HydrophobicContact CD1-CE2 3.92Å; L23-F36 HydrophobicContact CD1-CZ 3.93Å; L23-P67 HydrophobicContact CD1-CG 4.04Å; L23-Y141 HydrophobicContact CD2-CE1 4.09Å; L23-E145 HydrophobicContact CD2-CB 4.15Å; L23-E145 WeakPolarHBondContact CD2-O 3.49Å; L23-L148 HydrophobicContact CD2-CB 4.3Å; L23-A149 HydrophobicContact CB-CB 3.94Å; L23-A149 HydrophobicContact CD2-CB 3.7Å; L23-A149 HydrophobicContact CG-CB 4.46Å; L23-V152 HydrophobicContact CB-CG2 4.47Å
24N97.1Very high95.4Very high66 Ų6659.9 Ų59.935%0.35331%0.305SS..Hα-helixtrans-58.1-34.9177.4-81.5-34.2000113L20 R21 R22 L26 R27 Y141L20-N24 WeakPolarHBondContact O-CB 3.44Å; L20-N24 VanDerWaalsContact O-CG 3.31Å; L20-N24 PolarHBondContact O-N 3.26Å; L20-N24 PolarHBondContact O-ND2 3.37Å; R21-N24 PolarHBondContact O-N 2.89Å; R22-N24 VanDerWaalsContact C-N 3.34Å; N24-L26 PolarHBondContact O-N 2.99Å; N24-R27 PolarHBondContact O-N 3.09Å; N24-R27 PolarHBondContact OD1-NH1 3.41Å; N24-Y141 PolarHBondContact ND2-OH 3.24Å; N24-Y141 PolarHBondContact OD1-OH 3.02Å
25S96.8Very high95.2Very high76 Ų7659 Ų5953%0.53130%0.296SS..Hα-helixtrans-73.5-13.5176.372.90000114R21 R22 L23R21-S25 PolarHBondContact O-N 2.88Å; R22-S25 PolarHBondContact O-N 3.26Å; R22-S25 PolarHBondContact O-OG 2.78Å; L23-S25 VanDerWaalsContact C-N 3.26Å; L23-S25 PolarHBondContact O-N 3.02Å
26L96.9Very high95.3Very high3 Ų358.4 Ų58.42%0.01629%0.29CS..Hα-helixtrans-98.5-16.8176.4-60174.5000113R22 L23 N24 G28 R29 V31 E35 F36 P67 V152R22-L26 WeakPolarHBondContact O-CG 3.37Å; L23-L26 WeakPolarHBondContact O-CB 3.46Å; L23-L26 PolarHBondContact O-N 2.71Å; N24-L26 PolarHBondContact O-N 2.99Å; L26-G28 PolarHBondContact O-N 3.34Å; L26-R29 WeakPolarHBondContact O-CB 3.5Å; L26-R29 PolarHBondContact O-N 2.83Å; L26-R29 VanDerWaalsContact O-N 3.09Å; L26-V31 HydrophobicContact CB-CG1 4.44Å; L26-V31 HydrophobicContact CD2-CG1 4.2Å; L26-E35 HydrophobicContact CD2-CG 4.09Å; L26-E35 WeakPolarHBondContact CD2-OE1 3.22Å; L26-F36 HydrophobicContact CD1-CB 4.38Å; L26-F36 HydrophobicContact CD1-CD2 3.77Å; L26-F36 HydrophobicContact CD1-CE2 4.41Å; L26-F36 HydrophobicContact CD1-CG 4.28Å; L26-P67 HydrophobicContact CB-CB 4.27Å; L26-P67 HydrophobicContact CB-CG 3.82Å; L26-P67 WeakPolarHBondContact O-CA 3.5Å; L26-P67 WeakPolarHBondContact O-CB 3.28Å; L26-V152 HydrophobicContact CD1-CG2 3.99Å
27R96.1Very high95.4Very high32 Ų3258.5 Ų58.512%0.12129%0.291CS..THydrogen-bonded Turntrans-56.5127.4-179.7-81.6-173.1163.5168-11.6111.9L23 N24 R29 K64 E65 Y141L23-R27 PolarHBondContact O-N 3.23Å; L23-R27 VanDerWaalsContact O-N 3.12Å; N24-R27 PolarHBondContact O-N 3.09Å; N24-R27 PolarHBondContact OD1-NH1 3.41Å; R27-R29 PolarHBondContact O-N 3Å; R27-K64 WeakPolarHBondContact CB-O 3.47Å; R27-E65 WeakPolarHBondContact CD-O 3.49Å; R27-E65 WeakPolarHBondContact CG-O 3.35Å; R27-E65 PolarHBondContact NE-O 3.07Å; R27-Y141 VanDerWaalsContact NH2-CE1 3.34Å
28G95.8Very high95.5Very high27 Ų2757 Ų5728%0.27829%0.288SS..THydrogen-bonded Turntrans66.90.9-179.100000115.7L26 K64 L66L26-G28 PolarHBondContact O-N 3.34Å; G28-K64 PolarHBondContact N-O 3.04Å; G28-L66 PolarHBondContact N-O 2.74Å
29R96.5Very high95.6Very high104 Ų10452.2 Ų52.239%0.39227%0.266SS..SBendtrans-97.2141.1178.6176.1-178.2161.5-142.3-14.8109.5L26 R27 V31 E35 V68L26-R29 WeakPolarHBondContact O-CB 3.5Å; L26-R29 PolarHBondContact O-N 2.83Å; L26-R29 VanDerWaalsContact O-N 3.09Å; R27-R29 PolarHBondContact O-N 3Å; R29-V31 PolarHBondContact O-N 2.92Å; R29-E35 IonicContact CZ-OE1 3.68Å; R29-E35 IonicContact CZ-OE2 3.52Å; R29-E35 IonicContact NH1-OE1 2.75Å; R29-E35 PolarHBondContact NH1-OE1 2.98Å; R29-E35 IonicContact NH2-OE1 2.92Å; R29-E35 PolarHBondContact NH2-OE1 3.3Å; R29-E35 IonicContact NH2-OE2 3.12Å; R29-E35 PolarHBondContact NH2-OE2 3.31Å; R29-V68 PolarHBondContact O-N 2.88Å
30E96.3Very high95.7Very high146 Ų14651.4 Ų51.468%0.68226%0.262SS*.BIsolated β-bridgetrans-70.5118.5169.7-170170.7-166.600110.1V68E30-V68 WeakPolarHBondContact CA-O 3.25Å
31V95.7Very high95.8Very high18 Ų1850.6 Ų50.611%0.10926%0.258CS..PPolyproline II helixtrans-85.9143.9-178-58.90000111.3L26 R29 F36 P67 V68 V70L26-V31 HydrophobicContact CB-CG1 4.44Å; L26-V31 HydrophobicContact CD2-CG1 4.2Å; R29-V31 PolarHBondContact O-N 2.92Å; V31-F36 HydrophobicContact CB-CB 4.16Å; V31-F36 HydrophobicContact CG1-CB 4.07Å; V31-F36 HydrophobicContact CG2-CB 4.14Å; V31-P67 HydrophobicContact CG1-CB 3.64Å; V31-V68 WeakPolarHBondContact CG2-O 3.41Å; V31-V68 PolarHBondContact N-O 2.94Å; V31-V70 HydrophobicContact CG2-CG2 3.7Å
32L91.4Very high95.8Very high117 Ų11743.3 Ų43.361%0.61323%0.23SC*.PPolyproline II helixtrans-82.6156.6174.4-62.1177.5000111.3G34 E35L32-G34 PolarHBondContact O-N 3.03Å; L32-E35 HydrophobicContact CB-CB 4.41Å; L32-E35 PolarHBondContact N-OE2 3.45Å; L32-E35 VanDerWaalsContact O-CB 3.25Å; L32-E35 WeakPolarHBondContact O-CB 3.46Å; L32-E35 PolarHBondContact O-N 3.2Å
33P87.5Confident95.9Very high120 Ų12039.1 Ų39.178%0.77922%0.215SC*.BIsolated β-bridgetrans-52.9126.1175.5-27.435.4000112.4E35P33-E35 VanDerWaalsContact C-N 3.28Å; P33-E35 PolarHBondContact O-N 3.45Å
34G86.9Confident95.7Very high15 Ų1539.1 Ų39.116%0.15522%0.215CC..THydrogen-bonded Turntrans80.1-5.6-178.800000116L32L32-G34 PolarHBondContact O-N 3.03Å
35E92.9Very high95.4Very high51 Ų5137.5 Ų37.524%0.23821%0.208CC..THydrogen-bonded Turntrans-72.5-33.9172-174174.4-160.100111.5L26 R29 L32 P33L26-E35 HydrophobicContact CD2-CG 4.09Å; L26-E35 WeakPolarHBondContact CD2-OE1 3.22Å; R29-E35 IonicContact CZ-OE1 3.68Å; R29-E35 IonicContact CZ-OE2 3.52Å; R29-E35 IonicContact NH1-OE1 2.75Å; R29-E35 PolarHBondContact NH1-OE1 2.98Å; R29-E35 IonicContact NH2-OE1 2.92Å; R29-E35 PolarHBondContact NH2-OE1 3.3Å; R29-E35 IonicContact NH2-OE2 3.12Å; R29-E35 PolarHBondContact NH2-OE2 3.31Å; L32-E35 HydrophobicContact CB-CB 4.41Å; L32-E35 PolarHBondContact N-OE2 3.45Å; L32-E35 VanDerWaalsContact O-CB 3.25Å; L32-E35 WeakPolarHBondContact O-CB 3.46Å; L32-E35 PolarHBondContact O-N 3.2Å; P33-E35 VanDerWaalsContact C-N 3.28Å; P33-E35 PolarHBondContact O-N 3.45Å
36F97.5Very high95.1Very high1 Ų136.9 Ų36.90%0.00420%0.198CC..BIsolated β-bridgetrans-146-172.9179.9-164.1-111.8000110.3L23 L26 V31 P67 V70 L148 V152 P155L23-F36 HydrophobicContact CD1-CE2 3.92Å; L23-F36 HydrophobicContact CD1-CZ 3.93Å; L26-F36 HydrophobicContact CD1-CB 4.38Å; L26-F36 HydrophobicContact CD1-CD2 3.77Å; L26-F36 HydrophobicContact CD1-CE2 4.41Å; L26-F36 HydrophobicContact CD1-CG 4.28Å; V31-F36 HydrophobicContact CB-CB 4.16Å; V31-F36 HydrophobicContact CG1-CB 4.07Å; V31-F36 HydrophobicContact CG2-CB 4.14Å; F36-P67 HydrophobicContact CD1-CB 4.37Å; F36-P67 HydrophobicContact CD1-CG 4.18Å; F36-P67 HydrophobicContact CE1-CB 4.44Å; F36-P67 HydrophobicContact CE1-CG 3.89Å; F36-P67 HydrophobicContact CZ-CG 4.12Å; F36-V70 HydrophobicContact CD1-CG2 3.57Å; F36-V70 HydrophobicContact CE1-CG2 4.07Å; F36-L148 HydrophobicContact CZ-CB 4.15Å; F36-L148 HydrophobicContact CZ-CD1 4.39Å; F36-L148 HydrophobicContact CZ-CD2 4.21Å; F36-L148 HydrophobicContact CZ-CG 4.49Å; F36-V152 HydrophobicContact CD2-CG2 4.08Å; F36-V152 HydrophobicContact CE2-CG2 3.96Å; F36-P155 WeakPolarHBondContact O-CB 3.19Å
37W98Very high94.8Very high2 Ų238 Ų381%0.00821%0.21CC..  trans-62137.1177.1-59.4103.8000112V40 R108 I110 F154 P155 M158 L163W37-V40 HydrophobicContact CB-CG2 4.03Å; W37-V40 HydrophobicContact CG-CG2 4.41Å; W37-R108 HydrophobicContact CE3-CB 4.34Å; W37-I110 HydrophobicContact CB-CG2 4.24Å; W37-I110 HydrophobicContact CD2-CB 3.7Å; W37-I110 HydrophobicContact CD2-CG2 3.64Å; W37-I110 HydrophobicContact CE3-CB 3.74Å; W37-I110 HydrophobicContact CE3-CG2 4.06Å; W37-I110 HydrophobicContact CG-CB 4.3Å; W37-I110 HydrophobicContact CG-CG2 3.68Å; W37-I110 HydrophobicContact CH2-CB 4.19Å; W37-I110 HydrophobicContact CZ2-CB 4.14Å; W37-I110 HydrophobicContact CZ2-CD1 4.19Å; W37-I110 HydrophobicContact CZ3-CB 3.97Å; W37-F154 HydrophobicContact CH2-CB 4.01Å; W37-F154 HydrophobicContact CZ2-CB 4.08Å; W37-P155 HydrophobicContact CD2-CG 3.66Å; W37-P155 HydrophobicContact CE3-CG 4Å; W37-P155 HydrophobicContact CG-CG 4.04Å; W37-P155 HydrophobicContact CH2-CG 4.26Å; W37-P155 HydrophobicContact CZ2-CG 3.96Å; W37-P155 HydrophobicContact CZ3-CG 4.3Å; W37-M158 HydrophobicContact CH2-SD 3.9Å; W37-M158 HydrophobicContact CZ3-CE 3.97Å; W37-M158 HydrophobicContact CZ3-SD 3.58Å; W37-M158 VanDerWaalsContact CZ3-SD 3.58Å; W37-L163 HydrophobicContact CH2-CB 3.82Å; W37-L163 HydrophobicContact CH2-CD2 3.7Å; W37-L163 HydrophobicContact CH2-CG 4.34Å; W37-L163 HydrophobicContact CZ2-CD2 3.98Å; W37-L163 HydrophobicContact CZ3-CB 4.09Å
38D98.3Very high94.3Very high40 Ų4038.8 Ų38.821%0.21422%0.221CC..SBendtrans-74.6-38.5172.3-61.1-62.1000109.9Q71 M107 R108D38-Q71 PolarHBondContact O-N 3.4Å; D38-Q71 VanDerWaalsContact O-N 3.09Å; D38-M107 HydrophobicContact CB-CB 4.11Å; D38-M107 HydrophobicContact CB-CG 4.26Å; D38-M107 WeakPolarHBondContact OD2-CA 3.44Å; D38-R108 PolarHBondContact N-O 3.38Å; D38-R108 PolarHBondContact OD2-N 2.93Å; D38-R108 IonicContact OD2-NH1 2.75Å
39V98.7Very high94Very high0 Ų037.6 Ų37.60%021%0.208CC..EExtended strand (participates in β ladder)trans-136.4132177.7-1720000110.5Q71 K73 L96 Y100 M107 R108 V109 I110V39-Q71 CarbonylContact C-O 3.58Å; V39-Q71 VanDerWaalsContact CA-O 3.31Å; V39-Q71 WeakPolarHBondContact CA-O 3.38Å; V39-Q71 HydrophobicContact CB-CB 4.5Å; V39-Q71 HydrophobicContact CG1-CB 4.35Å; V39-Q71 WeakPolarHBondContact CG1-O 3.49Å; V39-Q71 HydrophobicContact CG2-CB 4.17Å; V39-K73 HydrophobicContact CG1-CG 4.21Å; V39-L96 HydrophobicContact CG1-CD2 3.89Å; V39-Y100 HydrophobicContact CG1-CE2 4.44Å; V39-Y100 HydrophobicContact CG2-CE2 3.87Å; V39-M107 HydrophobicContact CG2-SD 3.98Å; V39-R108 PolarHBondContact N-O 3.33Å; V39-V109 HydrophobicContact CB-CB 4.45Å; V39-V109 HydrophobicContact CB-CG1 4.14Å; V39-V109 HydrophobicContact CB-CG2 4.05Å; V39-V109 HydrophobicContact CG1-CG1 4.34Å; V39-V109 HydrophobicContact CG2-CG2 4.27Å; V39-V109 WeakPolarHBondContact O-CA 3.31Å; V39-I110 PolarHBondContact O-N 2.92Å
40V98.8Very high93.9Very high1 Ų136.6 Ų36.61%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-106.8106.3166177.10000107.4W37 V42 V70 Q71 Y72 K73 I110 I112 L144 L148W37-V40 HydrophobicContact CB-CG2 4.03Å; W37-V40 HydrophobicContact CG-CG2 4.41Å; V40-V42 HydrophobicContact CG1-CG2 4.49Å; V40-V70 HydrophobicContact CB-CG1 4.47Å; V40-V70 HydrophobicContact CG2-CG1 3.77Å; V40-Q71 PolarHBondContact N-O 3.4Å; V40-Y72 HydrophobicContact CB-CD1 3.67Å; V40-Y72 HydrophobicContact CB-CE1 3.9Å; V40-Y72 HydrophobicContact CG1-CD1 4.01Å; V40-Y72 HydrophobicContact CG1-CE1 4.26Å; V40-Y72 HydrophobicContact CG2-CD1 4.13Å; V40-Y72 HydrophobicContact CG2-CE1 3.83Å; V40-Y72 WeakPolarHBondContact O-CA 3.37Å; V40-K73 PolarHBondContact O-N 3.46Å; V40-I110 HydrophobicContact CB-CG2 4.06Å; V40-I110 HydrophobicContact CG1-CG2 4.1Å; V40-I110 HydrophobicContact CG2-CG2 3.71Å; V40-I112 HydrophobicContact CG1-CD1 4.37Å; V40-L144 HydrophobicContact CG1-CD1 4.46Å; V40-L148 HydrophobicContact CG1-CD2 4.08Å; V40-L148 HydrophobicContact CG2-CD2 3.75Å
41A98.7Very high93.7Very high0 Ų035.1 Ų35.10%020%0.197CC..EExtended strand (participates in β ladder)trans-102.2130179.300000110.2K73 F75 L96 V109 I110 L111 I112A41-K73 CarbonylContact C-O 3.55Å; A41-K73 WeakPolarHBondContact CA-O 3.42Å; A41-F75 HydrophobicContact CB-CD2 4.26Å; A41-F75 HydrophobicContact CB-CE2 3.9Å; A41-L96 HydrophobicContact CB-CD1 4.48Å; A41-V109 HydrophobicContact CB-CG1 4.21Å; A41-I110 PolarHBondContact N-O 2.9Å; A41-L111 HydrophobicContact CB-CD1 3.73Å; A41-L111 CarbonylContact O-C 3.55Å; A41-L111 WeakPolarHBondContact O-CA 3.2Å; A41-I112 PolarHBondContact O-N 3.27Å
42V98.6Very high93.5Very high0 Ų034.4 Ų34.40%019%0.193CC..EExtended strand (participates in β ladder)trans-119.9131.4177.9-177.30000108.8V40 Y53 I57 K73 V74 F75 I112 A114 I130 L144V40-V42 HydrophobicContact CG1-CG2 4.49Å; V42-Y53 HydrophobicContact CG1-CD2 3.83Å; V42-Y53 HydrophobicContact CG1-CE2 4.14Å; V42-I57 HydrophobicContact CG2-CD1 4.27Å; V42-K73 PolarHBondContact N-O 3.42Å; V42-V74 HydrophobicContact CB-CG1 4.49Å; V42-V74 HydrophobicContact CB-CG2 4.47Å; V42-V74 CarbonylContact O-C 3.46Å; V42-V74 VanDerWaalsContact O-CA 3.24Å; V42-V74 WeakPolarHBondContact O-CA 3.12Å; V42-V74 WeakPolarHBondContact O-CG1 3.16Å; V42-F75 PolarHBondContact O-N 2.91Å; V42-I112 WeakPolarHBondContact CA-O 3.47Å; V42-I112 HydrophobicContact CG2-CB 4.5Å; V42-A114 HydrophobicContact CG1-CB 3.55Å; V42-I130 HydrophobicContact CG1-CG2 4.33Å; V42-L144 HydrophobicContact CG2-CD1 4.41Å
43T97.5Very high93.8Very high2 Ų228.9 Ų28.91%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-88.2150.117572.50000111.6Y53 F75 L111 I112 H113 A114 G115T43-Y53 WeakPolarHBondContact O-CE2 3.36Å; T43-F75 CarbonylContact C-O 3.57Å; T43-F75 VanDerWaalsContact CA-O 3.3Å; T43-F75 WeakPolarHBondContact CA-O 3.48Å; T43-L111 HydrophobicContact CG2-CD1 3.81Å; T43-I112 PolarHBondContact N-O 3.16Å; T43-H113 WeakPolarHBondContact OG1-CA 3.16Å; T43-A114 CarbonylContact O-C 3.47Å; T43-A114 WeakPolarHBondContact O-CB 3.45Å; T43-A114 PolarHBondContact OG1-N 3.04Å; T43-G115 PolarHBondContact O-N 3.15Å; T43-G115 VanDerWaalsContact O-N 3.09Å; T43-G115 PolarHBondContact OG1-N 3.08Å
44A94.8Very high94.2Very high0 Ų026.6 Ų26.60%014%0.143CC..EExtended strand (participates in β ladder)trans-133.9151.3176.500000109.8D46 Q49 R50 Y53 V74 F75 S76 D77A44-D46 VanDerWaalsContact C-N 3.33Å; A44-D46 PolarHBondContact O-N 3.2Å; A44-Q49 HydrophobicContact CB-CB 4.1Å; A44-Q49 HydrophobicContact CB-CG 3.98Å; A44-R50 HydrophobicContact CB-CB 4.07Å; A44-Y53 HydrophobicContact CB-CD2 4.06Å; A44-Y53 HydrophobicContact CB-CE2 4.14Å; A44-V74 HydrophobicContact CB-CG1 4.1Å; A44-F75 PolarHBondContact N-O 2.87Å; A44-S76 CarbonylContact O-C 3.55Å; A44-S76 VanDerWaalsContact O-CA 3.29Å; A44-S76 WeakPolarHBondContact O-CA 3.38Å; A44-D77 PolarHBondContact O-N 2.8Å
45V89.9Confident94.6Very high33 Ų3327.8 Ų27.820%0.215%0.146CC..SBendtrans-73.7-24.6-177.272.60000113.2Q49 F117V45-Q49 HydrophobicContact CG1-CB 4.36Å; V45-F117 HydrophobicContact CG2-CE1 4.45Å; V45-F117 HydrophobicContact CG2-CZ 4.44Å
46D89.7Confident94.7Very high63 Ų6325.8 Ų25.834%0.33714%0.137SC..SBendtrans-157.3174.6179.763.544.5000111.6A44 S48 Q49 R50 S76A44-D46 VanDerWaalsContact C-N 3.33Å; A44-D46 PolarHBondContact O-N 3.2Å; D46-S48 VanDerWaalsContact C-N 3.31Å; D46-S48 PolarHBondContact O-N 2.82Å; D46-S48 WeakPolarHBondContact OD1-CA 3.26Å; D46-S48 WeakPolarHBondContact OD1-CB 3.25Å; D46-S48 PolarHBondContact OD1-N 3.44Å; D46-Q49 PolarHBondContact O-N 3.02Å; D46-Q49 PolarHBondContact OD1-N 3.04Å; D46-R50 PolarHBondContact O-N 3.12Å; D46-S76 WeakPolarHBondContact O-CB 3.24Å
47G90.8Very high94.7Very high26 Ų2626.1 Ų26.127%0.26814%0.138SC..Hα-helixtrans-63-32.8-179.600000114.1R50 E51G47-R50 WeakPolarHBondContact O-CB 3.34Å; G47-R50 PolarHBondContact O-N 2.9Å; G47-E51 WeakPolarHBondContact O-CG 3.29Å; G47-E51 PolarHBondContact O-N 2.99Å
48S86.7Confident94.6Very high49 Ų4932.5 Ų32.534%0.34316%0.162SC..Hα-helixtrans-70.3-42.9179.2-177.20000111.1D46 E51 A52 L561D46-S48 VanDerWaalsContact C-N 3.31Å; D46-S48 PolarHBondContact O-N 2.82Å; D46-S48 WeakPolarHBondContact OD1-CA 3.26Å; D46-S48 WeakPolarHBondContact OD1-CB 3.25Å; D46-S48 PolarHBondContact OD1-N 3.44Å; S48-E51 PolarHBondContact O-N 2.58Å; S48-A52 PolarHBondContact O-N 3.08Å; S48-L561 VanDerWaalsContact O-CD1 3.22Å; S48-L561 WeakPolarHBondContact O-CD1 3.48Å; S48-L561 WeakPolarHBondContact OG-CD1 3.36Å
49Q89.1Confident94.4Very high2 Ų231.2 Ų31.21%0.00916%0.155CC..Hα-helixtrans-65-40.1173.3-174.1174.971.600111.2A44 V45 D46 E51 A52 Y53A44-Q49 HydrophobicContact CB-CB 4.1Å; A44-Q49 HydrophobicContact CB-CG 3.98Å; V45-Q49 HydrophobicContact CG1-CB 4.36Å; D46-Q49 PolarHBondContact O-N 3.02Å; D46-Q49 PolarHBondContact OD1-N 3.04Å; Q49-E51 PolarHBondContact O-N 2.93Å; Q49-A52 PolarHBondContact O-N 3.44Å; Q49-Y53 VanDerWaalsContact CD-CZ 3.49Å; Q49-Y53 VanDerWaalsContact CD-OH 3.22Å; Q49-Y53 HydrophobicContact CG-CD1 3.95Å; Q49-Y53 HydrophobicContact CG-CD2 4.34Å; Q49-Y53 HydrophobicContact CG-CE1 3.44Å; Q49-Y53 VanDerWaalsContact CG-CE1 3.44Å; Q49-Y53 HydrophobicContact CG-CE2 3.88Å; Q49-Y53 HydrophobicContact CG-CG 4.39Å; Q49-Y53 VanDerWaalsContact CG-CZ 3.42Å; Q49-Y53 PolarHBondContact NE2-OH 2.88Å; Q49-Y53 VanDerWaalsContact NE2-OH 3.17Å; Q49-Y53 VanDerWaalsContact O-CD1 3.3Å; Q49-Y53 WeakPolarHBondContact O-CD1 3.48Å; Q49-Y53 PolarHBondContact O-N 3.38Å
50R94.5Very high94.2Very high83 Ų8331.2 Ų31.231%0.31316%0.155SC..Hα-helixtrans-55.5-50.5173.7179-164.366.7177.7-0.4111.6A44 D46 G47 A52 Y53 E54 V74A44-R50 HydrophobicContact CB-CB 4.07Å; D46-R50 PolarHBondContact O-N 3.12Å; G47-R50 WeakPolarHBondContact O-CB 3.34Å; G47-R50 PolarHBondContact O-N 2.9Å; R50-A52 VanDerWaalsContact C-N 3.32Å; R50-A52 PolarHBondContact O-N 2.89Å; R50-Y53 PolarHBondContact O-N 2.95Å; R50-Y53 VanDerWaalsContact O-N 3.16Å; R50-E54 HydrophobicContact CG-CG 4.38Å; R50-E54 WeakPolarHBondContact O-CG 3.41Å; R50-E54 PolarHBondContact O-N 3.41Å; R50-V74 HydrophobicContact CB-CG1 4.13Å; R50-V74 HydrophobicContact CG-CB 3.85Å; R50-V74 HydrophobicContact CG-CG1 3.75Å
51E92.8Very high94.1Very high114 Ų11433.4 Ų33.453%0.53317%0.168SC..Hα-helixtrans-59.5-41.1-180-74.6169.5-16700112.4G47 S48 Q49 E54 L55G47-E51 WeakPolarHBondContact O-CG 3.29Å; G47-E51 PolarHBondContact O-N 2.99Å; S48-E51 PolarHBondContact O-N 2.58Å; Q49-E51 PolarHBondContact O-N 2.93Å; E51-E54 PolarHBondContact O-N 3.39Å; E51-L55 WeakPolarHBondContact O-CB 3.44Å; E51-L55 PolarHBondContact O-N 3.31Å
52A91.2Very high93.9Very high3 Ų339.9 Ų39.93%0.02520%0.199CC..Hα-helixtrans-66.8-39.1175.100000113.3S48 Q49 R50 L55 Q56 L561S48-A52 PolarHBondContact O-N 3.08Å; Q49-A52 PolarHBondContact O-N 3.44Å; R50-A52 VanDerWaalsContact C-N 3.32Å; R50-A52 PolarHBondContact O-N 2.89Å; A52-L55 PolarHBondContact O-N 2.99Å; A52-Q56 WeakPolarHBondContact O-CB 3.48Å; A52-Q56 VanDerWaalsContact O-CG 3.31Å; A52-Q56 WeakPolarHBondContact O-CG 3.3Å; A52-Q56 PolarHBondContact O-N 2.88Å; A52-Q56 PolarHBondContact O-NE2 3.11Å; A52-L561 HydrophobicContact CB-CB 4.06Å; A52-L561 HydrophobicContact CB-CD1 3.45Å; A52-L561 VanDerWaalsContact CB-CD1 3.45Å; A52-L561 HydrophobicContact CB-CD2 4.2Å; A52-L561 HydrophobicContact CB-CG 4.08Å
53Y96.2Very high93.6Very high2 Ų244.3 Ų44.31%0.00822%0.215CC..Hα-helixtrans-66.9-42.2177.2-72.49000110.7V42 T43 A44 Q49 R50 L55 Q56 I57 V74 A114 L127 G128 I130 F131V42-Y53 HydrophobicContact CG1-CD2 3.83Å; V42-Y53 HydrophobicContact CG1-CE2 4.14Å; T43-Y53 WeakPolarHBondContact O-CE2 3.36Å; A44-Y53 HydrophobicContact CB-CD2 4.06Å; A44-Y53 HydrophobicContact CB-CE2 4.14Å; Q49-Y53 VanDerWaalsContact CD-CZ 3.49Å; Q49-Y53 VanDerWaalsContact CD-OH 3.22Å; Q49-Y53 HydrophobicContact CG-CD1 3.95Å; Q49-Y53 HydrophobicContact CG-CD2 4.34Å; Q49-Y53 HydrophobicContact CG-CE1 3.44Å; Q49-Y53 VanDerWaalsContact CG-CE1 3.44Å; Q49-Y53 HydrophobicContact CG-CE2 3.88Å; Q49-Y53 HydrophobicContact CG-CG 4.39Å; Q49-Y53 VanDerWaalsContact CG-CZ 3.42Å; Q49-Y53 PolarHBondContact NE2-OH 2.88Å; Q49-Y53 VanDerWaalsContact NE2-OH 3.17Å; Q49-Y53 VanDerWaalsContact O-CD1 3.3Å; Q49-Y53 WeakPolarHBondContact O-CD1 3.48Å; Q49-Y53 PolarHBondContact O-N 3.38Å; R50-Y53 PolarHBondContact O-N 2.95Å; R50-Y53 VanDerWaalsContact O-N 3.16Å; Y53-L55 VanDerWaalsContact C-N 3.34Å; Y53-L55 PolarHBondContact O-N 3.42Å; Y53-Q56 PolarHBondContact O-N 3.25Å; Y53-I57 WeakPolarHBondContact O-CB 3.08Å; Y53-I57 VanDerWaalsContact O-CG1 3.26Å; Y53-I57 WeakPolarHBondContact O-CG1 3.48Å; Y53-I57 PolarHBondContact O-N 2.98Å; Y53-V74 HydrophobicContact CD2-CG1 3.97Å; Y53-V74 HydrophobicContact CG-CG1 4.38Å; Y53-A114 HydrophobicContact CE2-CB 3.82Å; Y53-A114 PolarHBondContact OH-O 3.27Å; Y53-L127 VanDerWaalsContact CE1-O 3.24Å; Y53-L127 WeakPolarHBondContact CE1-O 3.45Å; Y53-G128 WeakPolarHBondContact OH-CA 3.31Å; Y53-I130 HydrophobicContact CE2-CG2 4.26Å; Y53-F131 AromaticContact CD1-CD2 3.94Å; Y53-F131 HydrophobicContact CD1-CD2 3.94Å; Y53-F131 AromaticContact CD1-CE2 3.36Å; Y53-F131 HydrophobicContact CD1-CE2 3.36Å; Y53-F131 HydrophobicContact CD1-CZ 4.4Å; Y53-F131 HydrophobicContact CD2-CE2 4.19Å; Y53-F131 HydrophobicContact CE1-CD2 4.04Å; Y53-F131 AromaticContact CE1-CE2 3.85Å; Y53-F131 HydrophobicContact CE1-CE2 3.85Å; Y53-F131 AromaticContact CG-CE2 3.55Å; Y53-F131 HydrophobicContact CG-CE2 3.55Å; Y53-F131 HydrophobicContact CG-CZ 4.29Å
54E96.9Very high93.5Very high72 Ų7251 Ų5134%0.33624%0.244SC..Hα-helixtrans-60.1-43.8174.8-73.6177.4167.700111.7R50 E51 R58 V74R50-E54 HydrophobicContact CG-CG 4.38Å; R50-E54 WeakPolarHBondContact O-CG 3.41Å; R50-E54 PolarHBondContact O-N 3.41Å; E51-E54 PolarHBondContact O-N 3.39Å; E54-R58 VanDerWaalsContact O-CB 3.28Å; E54-R58 WeakPolarHBondContact O-CB 3.09Å; E54-R58 PolarHBondContact O-N 3.02Å; E54-V74 HydrophobicContact CG-CB 3.82Å; E54-V74 HydrophobicContact CG-CG2 3.66Å
55L94.3Very high93.6Very high40 Ų4051.2 Ų51.221%0.20925%0.245CC..Hα-helixtrans-64.2-48.1176.5-179.356.3000111.3E51 A52 Y53 I57 R58 E59 L565E51-L55 WeakPolarHBondContact O-CB 3.44Å; E51-L55 PolarHBondContact O-N 3.31Å; A52-L55 PolarHBondContact O-N 2.99Å; Y53-L55 VanDerWaalsContact C-N 3.34Å; Y53-L55 PolarHBondContact O-N 3.42Å; L55-I57 PolarHBondContact O-N 3.28Å; L55-R58 WeakPolarHBondContact O-CB 3.34Å; L55-R58 PolarHBondContact O-N 2.86Å; L55-E59 HydrophobicContact CD1-CG 4.27Å; L55-E59 WeakPolarHBondContact O-CG 3.41Å; L55-E59 PolarHBondContact O-N 3.43Å; L55-L565 HydrophobicContact CB-CD1 4.22Å; L55-L565 HydrophobicContact CD2-CD1 3.48Å; L55-L565 VanDerWaalsContact CD2-CD1 3.48Å; L55-L565 HydrophobicContact CG-CD1 3.84Å
56Q96.2Very high93.9Very high9 Ų949.7 Ų49.74%0.04224%0.236CC..Hα-helixtrans-58.9-45.7177.8-74.9179.8107.500111.8A52 Y53 E59 K60 L127 F131 L565A52-Q56 WeakPolarHBondContact O-CB 3.48Å; A52-Q56 VanDerWaalsContact O-CG 3.31Å; A52-Q56 WeakPolarHBondContact O-CG 3.3Å; A52-Q56 PolarHBondContact O-N 2.88Å; A52-Q56 PolarHBondContact O-NE2 3.11Å; Y53-Q56 PolarHBondContact O-N 3.25Å; Q56-E59 PolarHBondContact O-N 3.06Å; Q56-K60 WeakPolarHBondContact O-CG 3.48Å; Q56-K60 PolarHBondContact O-N 2.95Å; Q56-K60 VanDerWaalsContact O-N 3.08Å; Q56-L127 PolarHBondContact NE2-O 3.3Å; Q56-F131 HydrophobicContact CB-CD1 3.82Å; Q56-F131 HydrophobicContact CB-CE1 3.51Å; Q56-F131 HydrophobicContact CB-CE2 4.31Å; Q56-F131 HydrophobicContact CB-CG 4.34Å; Q56-F131 HydrophobicContact CB-CZ 3.78Å; Q56-F131 HydrophobicContact CG-CD1 4.44Å; Q56-L565 HydrophobicContact CG-CD1 4.04Å; Q56-L565 HydrophobicContact CG-CD2 3.47Å; Q56-L565 VanDerWaalsContact CG-CD2 3.47Å; Q56-L565 HydrophobicContact CG-CG 4.42Å
57I97.7Very high94.3Very high8 Ų846.7 Ų46.74%0.04122%0.22CC..Hα-helixtrans-63.3-43.6177.2-68.7164.8000111.2V42 Y53 L55 E59 K60 V61 L66 Y72 V74 F131 L144V42-I57 HydrophobicContact CG2-CD1 4.27Å; Y53-I57 WeakPolarHBondContact O-CB 3.08Å; Y53-I57 VanDerWaalsContact O-CG1 3.26Å; Y53-I57 WeakPolarHBondContact O-CG1 3.48Å; Y53-I57 PolarHBondContact O-N 2.98Å; L55-I57 PolarHBondContact O-N 3.28Å; I57-E59 VanDerWaalsContact C-N 3.33Å; I57-E59 PolarHBondContact O-N 3.36Å; I57-K60 WeakPolarHBondContact O-CB 3.21Å; I57-K60 PolarHBondContact O-N 3.26Å; I57-K60 VanDerWaalsContact O-N 3.15Å; I57-V61 HydrophobicContact CG2-CG2 4.45Å; I57-V61 WeakPolarHBondContact O-CG2 3.48Å; I57-V61 PolarHBondContact O-N 3.37Å; I57-L66 HydrophobicContact CG2-CD1 4.11Å; I57-Y72 HydrophobicContact CG2-CD1 4.02Å; I57-Y72 HydrophobicContact CG2-CD2 4.42Å; I57-Y72 HydrophobicContact CG2-CG 3.75Å; I57-V74 HydrophobicContact CD1-CG2 3.71Å; I57-F131 HydrophobicContact CD1-CZ 4.3Å; I57-F131 HydrophobicContact CG1-CE1 4.03Å; I57-F131 HydrophobicContact CG1-CZ 3.86Å; I57-L144 HydrophobicContact CG1-CD2 3.88Å
58R95.8Very high94.5Very high135 Ų13548.2 Ų48.251%0.50922%0.224SC..Hα-helixtrans-57.7-47.8177.9-173.8-171.8-51.3158.98111.3E54 L55 K60 V61 E62E54-R58 VanDerWaalsContact O-CB 3.28Å; E54-R58 WeakPolarHBondContact O-CB 3.09Å; E54-R58 PolarHBondContact O-N 3.02Å; L55-R58 WeakPolarHBondContact O-CB 3.34Å; L55-R58 PolarHBondContact O-N 2.86Å; R58-K60 VanDerWaalsContact C-N 3.28Å; R58-K60 PolarHBondContact O-N 3.41Å; R58-V61 PolarHBondContact O-N 2.92Å; R58-V61 VanDerWaalsContact O-N 3.16Å; R58-E62 WeakPolarHBondContact O-CG 3.43Å; R58-E62 PolarHBondContact O-N 2.75Å
59E93.3Very high94.7Very high13 Ų1348 Ų486%0.06123%0.23CC..Hα-helixtrans-63.6-35178.7-65.4-172.7163.400112.1L55 Q56 I57 E62 R63 R569L55-E59 HydrophobicContact CD1-CG 4.27Å; L55-E59 WeakPolarHBondContact O-CG 3.41Å; L55-E59 PolarHBondContact O-N 3.43Å; Q56-E59 PolarHBondContact O-N 3.06Å; I57-E59 VanDerWaalsContact C-N 3.33Å; I57-E59 PolarHBondContact O-N 3.36Å; E59-E62 PolarHBondContact O-N 2.94Å; E59-R63 VanDerWaalsContact CB-NH1 3.31Å; E59-R63 WeakPolarHBondContact O-CB 3.47Å; E59-R63 WeakPolarHBondContact O-CG 3.47Å; E59-R63 PolarHBondContact O-N 3.08Å; E59-R63 IonicContact OE2-NH1 2.84Å; E59-R63 PolarHBondContact OE2-NH1 2.87Å; E59-R569 VanDerWaalsContact OE1-CD 3.22Å; E59-R569 WeakPolarHBondContact OE1-CD 3.22Å; E59-R569 IonicContact OE1-CZ 3.75Å; E59-R569 VanDerWaalsContact OE1-CZ 3.28Å; E59-R569 IonicContact OE1-NE 3.15Å; E59-R569 PolarHBondContact OE1-NE 3.42Å; E59-R569 IonicContact OE1-NH1 3.04Å; E59-R569 PolarHBondContact OE1-NH1 3.06Å
60K95.5Very high95.1Very high1 Ų148.5 Ų48.50%0.00423%0.233CC..Hα-helixtrans-63.1-43.2173-70.3-174.2168.9-64.90112.4Q56 I57 R58 R63 K64 E65 L66 L144 E145Q56-K60 WeakPolarHBondContact O-CG 3.48Å; Q56-K60 PolarHBondContact O-N 2.95Å; Q56-K60 VanDerWaalsContact O-N 3.08Å; I57-K60 WeakPolarHBondContact O-CB 3.21Å; I57-K60 PolarHBondContact O-N 3.26Å; I57-K60 VanDerWaalsContact O-N 3.15Å; R58-K60 VanDerWaalsContact C-N 3.28Å; R58-K60 PolarHBondContact O-N 3.41Å; K60-R63 CarbonylContact O-C 3.04Å; K60-R63 PolarHBondContact O-N 3.37Å; K60-K64 PolarHBondContact O-N 2.89Å; K60-K64 VanDerWaalsContact O-N 3.15Å; K60-E65 HydrophobicContact CB-CB 4.17Å; K60-E65 WeakPolarHBondContact CG-OE2 3.49Å; K60-E65 IonicContact NZ-OE2 3.89Å; K60-E65 PolarHBondContact NZ-OE2 3.46Å; K60-E65 WeakPolarHBondContact O-CB 3.44Å; K60-E65 PolarHBondContact O-N 2.72Å; K60-L66 HydrophobicContact CB-CD1 3.65Å; K60-L66 HydrophobicContact CB-CG 3.96Å; K60-L66 HydrophobicContact CD-CD1 4.21Å; K60-L144 HydrophobicContact CD-CD2 4.14Å; K60-E145 WeakPolarHBondContact CD-OE1 3.48Å; K60-E145 WeakPolarHBondContact CE-OE1 3.26Å; K60-E145 WeakPolarHBondContact CE-OE2 3.43Å; K60-E145 VanDerWaalsContact NZ-CD 3.3Å; K60-E145 IonicContact NZ-OE1 3.46Å; K60-E145 PolarHBondContact NZ-OE1 2.95Å; K60-E145 IonicContact NZ-OE2 3.78Å; K60-E145 PolarHBondContact NZ-OE2 2.91Å
61V96.3Very high95.3Very high46 Ų4648.5 Ų48.528%0.27924%0.236SC..Hα-helixtrans-63.3-45175.4175.10000110.5I57 R58 R63 K64 L66 Y72I57-V61 HydrophobicContact CG2-CG2 4.45Å; I57-V61 WeakPolarHBondContact O-CG2 3.48Å; I57-V61 PolarHBondContact O-N 3.37Å; R58-V61 PolarHBondContact O-N 2.92Å; R58-V61 VanDerWaalsContact O-N 3.16Å; V61-R63 VanDerWaalsContact C-N 3.3Å; V61-R63 PolarHBondContact O-N 3.04Å; V61-K64 PolarHBondContact O-N 3.02Å; V61-L66 HydrophobicContact CG2-CB 4.14Å; V61-L66 HydrophobicContact CG2-CD1 4.03Å; V61-Y72 HydrophobicContact CG2-CD2 3.97Å; V61-Y72 HydrophobicContact CG2-CE2 3.93Å
62E93.8Very high95.5Very high137 Ų13745 Ų4564%0.6422%0.218SC*.Hα-helixtrans-59.3-39.9176.6-72.7171.2-175.700112.2R58 E59 K64R58-E62 WeakPolarHBondContact O-CG 3.43Å; R58-E62 PolarHBondContact O-N 2.75Å; E59-E62 PolarHBondContact O-N 2.94Å; E62-K64 PolarHBondContact O-N 2.85Å
63R92.8Very high95.9Very high92 Ų9247.7 Ų47.735%0.34723%0.23SC..THydrogen-bonded Turntrans-78.52.7174.6-67.9-170.4-54.7-92.9-8.7114.2E59 K60 V61 E65E59-R63 VanDerWaalsContact CB-NH1 3.31Å; E59-R63 WeakPolarHBondContact O-CB 3.47Å; E59-R63 WeakPolarHBondContact O-CG 3.47Å; E59-R63 PolarHBondContact O-N 3.08Å; E59-R63 IonicContact OE2-NH1 2.84Å; E59-R63 PolarHBondContact OE2-NH1 2.87Å; K60-R63 CarbonylContact O-C 3.04Å; K60-R63 PolarHBondContact O-N 3.37Å; V61-R63 VanDerWaalsContact C-N 3.3Å; V61-R63 PolarHBondContact O-N 3.04Å; R63-E65 HydrophobicContact CB-CG 4.04Å; R63-E65 IonicContact CZ-OE1 3.29Å; R63-E65 IonicContact CZ-OE2 3.89Å; R63-E65 IonicContact NE-OE1 3.05Å; R63-E65 PolarHBondContact NE-OE1 3.48Å; R63-E65 IonicContact NE-OE2 2.63Å; R63-E65 IonicContact NH2-OE1 2.68Å; R63-E65 IonicContact NH2-OE2 2.71Å; R63-E65 PolarHBondContact NH2-OE2 3.33Å; R63-E65 PolarHBondContact O-N 3.46Å
64K95.5Very high96Very high144 Ų14448 Ų4863%0.62623%0.231SC*.THydrogen-bonded Turntrans59.726.5-177.8-57.4-179.3-178-179.80113.6R27 G28 K60 V61 E62 L66R27-K64 WeakPolarHBondContact CB-O 3.47Å; G28-K64 PolarHBondContact N-O 3.04Å; K60-K64 PolarHBondContact O-N 2.89Å; K60-K64 VanDerWaalsContact O-N 3.15Å; V61-K64 PolarHBondContact O-N 3.02Å; E62-K64 PolarHBondContact O-N 2.85Å; K64-L66 VanDerWaalsContact C-N 3.27Å
65E96.1Very high96Very high4 Ų445.3 Ų45.32%0.01922%0.219CC..  trans-78.9-14.3176.1-69169.7-169.400112.5R27 K60 R63 P139R27-E65 WeakPolarHBondContact CD-O 3.49Å; R27-E65 WeakPolarHBondContact CG-O 3.35Å; R27-E65 PolarHBondContact NE-O 3.07Å; K60-E65 HydrophobicContact CB-CB 4.17Å; K60-E65 WeakPolarHBondContact CG-OE2 3.49Å; K60-E65 IonicContact NZ-OE2 3.89Å; K60-E65 PolarHBondContact NZ-OE2 3.46Å; K60-E65 WeakPolarHBondContact O-CB 3.44Å; K60-E65 PolarHBondContact O-N 2.72Å; R63-E65 HydrophobicContact CB-CG 4.04Å; R63-E65 IonicContact CZ-OE1 3.29Å; R63-E65 IonicContact CZ-OE2 3.89Å; R63-E65 IonicContact NE-OE1 3.05Å; R63-E65 PolarHBondContact NE-OE1 3.48Å; R63-E65 IonicContact NE-OE2 2.63Å; R63-E65 IonicContact NH2-OE1 2.68Å; R63-E65 IonicContact NH2-OE2 2.71Å; R63-E65 PolarHBondContact NH2-OE2 3.33Å; R63-E65 PolarHBondContact O-N 3.46Å; E65-P139 HydrophobicContact CG-CB 4.41Å; E65-P139 HydrophobicContact CG-CG 3.82Å
66L97.8Very high96.1Very high0 Ų044.4 Ų44.40%022%0.216CC..SBendtrans-123.5152.2179.4-70.5174.5000110.7G28 I57 K60 V61 K64 Y72 L144 E145 L148G28-L66 PolarHBondContact N-O 2.74Å; I57-L66 HydrophobicContact CG2-CD1 4.11Å; K60-L66 HydrophobicContact CB-CD1 3.65Å; K60-L66 HydrophobicContact CB-CG 3.96Å; K60-L66 HydrophobicContact CD-CD1 4.21Å; V61-L66 HydrophobicContact CG2-CB 4.14Å; V61-L66 HydrophobicContact CG2-CD1 4.03Å; K64-L66 VanDerWaalsContact C-N 3.27Å; L66-Y72 HydrophobicContact CB-CE2 4.43Å; L66-Y72 HydrophobicContact CD1-CD1 4.33Å; L66-Y72 HydrophobicContact CD1-CE1 3.92Å; L66-Y72 HydrophobicContact CD2-CE1 4.35Å; L66-L144 HydrophobicContact CD1-CD2 4.27Å; L66-E145 HydrophobicContact CD2-CG 3.8Å; L66-L148 HydrophobicContact CD2-CD1 3.76Å
67P97.1Very high96Very high0 Ų045 Ų450%022%0.22CC..  trans-60.5150.8171.3-22.732.9000113.4L23 L26 V31 F36 V70 Y72L23-P67 HydrophobicContact CD1-CG 4.04Å; L26-P67 HydrophobicContact CB-CB 4.27Å; L26-P67 HydrophobicContact CB-CG 3.82Å; L26-P67 WeakPolarHBondContact O-CA 3.5Å; L26-P67 WeakPolarHBondContact O-CB 3.28Å; V31-P67 HydrophobicContact CG1-CB 3.64Å; F36-P67 HydrophobicContact CD1-CB 4.37Å; F36-P67 HydrophobicContact CD1-CG 4.18Å; F36-P67 HydrophobicContact CE1-CB 4.44Å; F36-P67 HydrophobicContact CE1-CG 3.89Å; F36-P67 HydrophobicContact CZ-CG 4.12Å; P67-V70 HydrophobicContact CB-CG2 4.13Å; P67-Y72 WeakPolarHBondContact CD-OH 3.44Å; P67-Y72 PolarHBondContact O-OH 3.04Å; P67-Y72 VanDerWaalsContact O-OH 3.08Å
68V95.4Very high95.7Very high58 Ų5846.4 Ų46.435%0.35223%0.229SC..BIsolated β-bridgetrans-99.6154.3178.1-177.20000109.3R29 E30 V31 V70R29-V68 PolarHBondContact O-N 2.88Å; E30-V68 WeakPolarHBondContact CA-O 3.25Å; V31-V68 WeakPolarHBondContact CG2-O 3.41Å; V31-V68 PolarHBondContact N-O 2.94Å; V68-V70 VanDerWaalsContact C-N 3.29Å
69G91.6Very high95.4Very high46 Ų4646.4 Ų46.447%0.47425%0.246SC..SBendtrans90-10.1-17600000114
70V96.7Very high95Very high11 Ų1149.2 Ų49.27%0.06728%0.279CS..  trans-84.6141.4175.5-176.80000110.6V31 F36 V40 P67 V68 Y72V31-V70 HydrophobicContact CG2-CG2 3.7Å; F36-V70 HydrophobicContact CD1-CG2 3.57Å; F36-V70 HydrophobicContact CE1-CG2 4.07Å; V40-V70 HydrophobicContact CB-CG1 4.47Å; V40-V70 HydrophobicContact CG2-CG1 3.77Å; P67-V70 HydrophobicContact CB-CG2 4.13Å; V68-V70 VanDerWaalsContact C-N 3.29Å; V70-Y72 HydrophobicContact CB-CD2 4.37Å; V70-Y72 HydrophobicContact CB-CE2 3.67Å; V70-Y72 HydrophobicContact CG1-CD2 4.44Å; V70-Y72 HydrophobicContact CG1-CE1 4.1Å; V70-Y72 HydrophobicContact CG1-CE2 3.99Å; V70-Y72 PolarHBondContact O-N 3.01Å
71Q97.8Very high94.5Very high84 Ų8451.3 Ų51.339%0.39329%0.293SS..EExtended strand (participates in β ladder)trans-87.7105.9172-59.3-59.7-52.600110.8D38 V39 V40 Y100D38-Q71 PolarHBondContact O-N 3.4Å; D38-Q71 VanDerWaalsContact O-N 3.09Å; V39-Q71 CarbonylContact C-O 3.58Å; V39-Q71 VanDerWaalsContact CA-O 3.31Å; V39-Q71 WeakPolarHBondContact CA-O 3.38Å; V39-Q71 HydrophobicContact CB-CB 4.5Å; V39-Q71 HydrophobicContact CG1-CB 4.35Å; V39-Q71 WeakPolarHBondContact CG1-O 3.49Å; V39-Q71 HydrophobicContact CG2-CB 4.17Å; V40-Q71 PolarHBondContact N-O 3.4Å; Q71-Y100 WeakPolarHBondContact CB-OH 3.24Å; Q71-Y100 HydrophobicContact CG-CE1 4.42Å; Q71-Y100 WeakPolarHBondContact CG-OH 3.37Å
72Y98.6Very high94.2Very high39 Ų3953.9 Ų53.915%0.15330%0.301CS..EExtended strand (participates in β ladder)trans-88.4122.7171.6-59.1-85.2000110.5V40 I57 V61 L66 P67 V70 L148V40-Y72 HydrophobicContact CB-CD1 3.67Å; V40-Y72 HydrophobicContact CB-CE1 3.9Å; V40-Y72 HydrophobicContact CG1-CD1 4.01Å; V40-Y72 HydrophobicContact CG1-CE1 4.26Å; V40-Y72 HydrophobicContact CG2-CD1 4.13Å; V40-Y72 HydrophobicContact CG2-CE1 3.83Å; V40-Y72 WeakPolarHBondContact O-CA 3.37Å; I57-Y72 HydrophobicContact CG2-CD1 4.02Å; I57-Y72 HydrophobicContact CG2-CD2 4.42Å; I57-Y72 HydrophobicContact CG2-CG 3.75Å; V61-Y72 HydrophobicContact CG2-CD2 3.97Å; V61-Y72 HydrophobicContact CG2-CE2 3.93Å; L66-Y72 HydrophobicContact CB-CE2 4.43Å; L66-Y72 HydrophobicContact CD1-CD1 4.33Å; L66-Y72 HydrophobicContact CD1-CE1 3.92Å; L66-Y72 HydrophobicContact CD2-CE1 4.35Å; P67-Y72 WeakPolarHBondContact CD-OH 3.44Å; P67-Y72 PolarHBondContact O-OH 3.04Å; P67-Y72 VanDerWaalsContact O-OH 3.08Å; V70-Y72 HydrophobicContact CB-CD2 4.37Å; V70-Y72 HydrophobicContact CB-CE2 3.67Å; V70-Y72 HydrophobicContact CG1-CD2 4.44Å; V70-Y72 HydrophobicContact CG1-CE1 4.1Å; V70-Y72 HydrophobicContact CG1-CE2 3.99Å; V70-Y72 PolarHBondContact O-N 3.01Å; Y72-L148 HydrophobicContact CE1-CD1 4.48Å
73K98.6Very high94.1Very high61 Ų6147.4 Ų47.427%0.26527%0.27SS..EExtended strand (participates in β ladder)trans-129.4143.2-178.5-61.4-63.3177.3-170.40110.7V39 V40 A41 V42 F75 I99 Y100V39-K73 HydrophobicContact CG1-CG 4.21Å; V40-K73 PolarHBondContact O-N 3.46Å; A41-K73 CarbonylContact C-O 3.55Å; A41-K73 WeakPolarHBondContact CA-O 3.42Å; V42-K73 PolarHBondContact N-O 3.42Å; K73-F75 HydrophobicContact CB-CE1 4.16Å; K73-F75 HydrophobicContact CB-CE2 3.86Å; K73-F75 HydrophobicContact CB-CZ 3.56Å; K73-F75 HydrophobicContact CG-CZ 4.11Å; K73-I99 HydrophobicContact CD-CD1 4.48Å; K73-Y100 VanDerWaalsContact CE-OH 3.22Å; K73-Y100 WeakPolarHBondContact CE-OH 3.46Å
74V98.5Very high94.1Very high7 Ų743.3 Ų43.34%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-122.2130.7171.8-167.50000109.1V42 A44 R50 Y53 E54 I57V42-V74 HydrophobicContact CB-CG1 4.49Å; V42-V74 HydrophobicContact CB-CG2 4.47Å; V42-V74 CarbonylContact O-C 3.46Å; V42-V74 VanDerWaalsContact O-CA 3.24Å; V42-V74 WeakPolarHBondContact O-CA 3.12Å; V42-V74 WeakPolarHBondContact O-CG1 3.16Å; A44-V74 HydrophobicContact CB-CG1 4.1Å; R50-V74 HydrophobicContact CB-CG1 4.13Å; R50-V74 HydrophobicContact CG-CB 3.85Å; R50-V74 HydrophobicContact CG-CG1 3.75Å; Y53-V74 HydrophobicContact CD2-CG1 3.97Å; Y53-V74 HydrophobicContact CG-CG1 4.38Å; E54-V74 HydrophobicContact CG-CB 3.82Å; E54-V74 HydrophobicContact CG-CG2 3.66Å; I57-V74 HydrophobicContact CD1-CG2 3.71Å
75F97.6Very high94.1Very high16 Ų1638.3 Ų38.37%0.0724%0.237CC..EExtended strand (participates in β ladder)trans-119.6121.8179.5-56.5-58.5000109.5A41 V42 T43 A44 K73 A92 H95 L96 I99A41-F75 HydrophobicContact CB-CD2 4.26Å; A41-F75 HydrophobicContact CB-CE2 3.9Å; V42-F75 PolarHBondContact O-N 2.91Å; T43-F75 CarbonylContact C-O 3.57Å; T43-F75 VanDerWaalsContact CA-O 3.3Å; T43-F75 WeakPolarHBondContact CA-O 3.48Å; A44-F75 PolarHBondContact N-O 2.87Å; K73-F75 HydrophobicContact CB-CE1 4.16Å; K73-F75 HydrophobicContact CB-CE2 3.86Å; K73-F75 HydrophobicContact CB-CZ 3.56Å; K73-F75 HydrophobicContact CG-CZ 4.11Å; F75-A92 HydrophobicContact CD2-CB 3.82Å; F75-A92 HydrophobicContact CE2-CB 4.47Å; F75-H95 HydrophobicContact CD1-CB 3.52Å; F75-H95 AromaticContact CD1-CD2 3.94Å; F75-H95 AromaticContact CD1-CG 3.79Å; F75-H95 HydrophobicContact CE1-CB 3.4Å; F75-H95 HydrophobicContact CG-CB 4.19Å; F75-H95 HydrophobicContact CZ-CB 3.96Å; F75-L96 HydrophobicContact CE2-CD1 4.23Å; F75-L96 HydrophobicContact CE2-CD2 3.72Å; F75-L96 HydrophobicContact CE2-CG 3.67Å; F75-L96 HydrophobicContact CZ-CD2 3.68Å; F75-L96 HydrophobicContact CZ-CG 3.86Å; F75-I99 HydrophobicContact CE1-CD1 3.93Å; F75-I99 HydrophobicContact CZ-CD1 4.14Å
76S95.6Very high94.1Very high22 Ų2238.1 Ų38.115%0.15424%0.237CC..EExtended strand (participates in β ladder)trans-82.6144.6172.252.50000110.5A44 D46A44-S76 CarbonylContact O-C 3.55Å; A44-S76 VanDerWaalsContact O-CA 3.29Å; A44-S76 WeakPolarHBondContact O-CA 3.38Å; D46-S76 WeakPolarHBondContact O-CB 3.24Å
77D94.4Very high94Very high22 Ų2238.1 Ų38.112%0.11824%0.237CC..PPolyproline II helixtrans-56.5147.2162.4-67.4-16.1000110A44 I83 S88A44-D77 PolarHBondContact O-N 2.8Å; D77-I83 HydrophobicContact CB-CD1 4.16Å; D77-I83 HydrophobicContact CB-CG1 4.25Å; D77-S88 VanDerWaalsContact OD1-CB 3.26Å; D77-S88 WeakPolarHBondContact OD1-CB 3.29Å; D77-S88 PolarHBondContact OD1-OG 3.29Å; D77-S88 PolarHBondContact OD2-OG 3.29Å
78P91.6Very high94Very high36 Ų3638.4 Ų38.423%0.23424%0.239CC..PPolyproline II helixtrans-63.4153.3175.532.6-40.8000110.9G80 I83 Y91P78-G80 PolarHBondContact O-N 2.81Å; P78-I83 HydrophobicContact CG-CD1 4.13Å; P78-Y91 HydrophobicContact CB-CE1 4.19Å; P78-Y91 HydrophobicContact CG-CD1 4.49Å; P78-Y91 HydrophobicContact CG-CD2 4.25Å; P78-Y91 HydrophobicContact CG-CE1 3.96Å; P78-Y91 HydrophobicContact CG-CE2 3.68Å
79P89Confident94.1Very high135 Ų13535.7 Ų35.788%0.87722%0.222SC*.SBendtrans-62.6137.1171.928.4-34.3000110.2
80G85.9Confident94.4Very high73 Ų7333.5 Ų33.575%0.75320%0.199SC*.SBendtrans141.9-146.3179.100000112.5P78P78-G80 PolarHBondContact O-N 2.81Å
81C84.6Confident94.4Very high44 Ų4434.1 Ų34.130%0.29720%0.201SC..SBendtrans-69.4159.4174.961.20000111.4I83 N285C81-I83 PolarHBondContact O-N 2.76Å; C81-N285 WeakPolarHBondContact SG-CA 3.48Å; C81-N285 PolarHBondContact SG-O 2.91Å; C81-N285 VanDerWaalsContact SG-O 3.39Å
82K88.7Confident94.4Very high100 Ų10030.2 Ų30.244%0.43518%0.182SC..  trans-64.1124.2172.5-171.2-170.7-175.8-153.70110.1C286 E287 T314K82-C286 CarbonylContact O-C 3.47Å; K82-E287 WeakPolarHBondContact CE-OE1 2.95Å; K82-E287 IonicContact NZ-OE1 2.62Å; K82-E287 PolarHBondContact NZ-OE1 2.88Å; K82-E287 IonicContact NZ-OE2 3.37Å; K82-E287 PolarHBondContact O-N 2.82Å; K82-T314 PolarHBondContact NZ-OG1 2.92Å
83I92.5Very high94.4Very high1 Ų128.5 Ų28.51%0.00518%0.176CC..  trans-99.5-5.7-177.561166.1000114.5D77 P78 C81 G87 Y91 L284 C286 I288D77-I83 HydrophobicContact CB-CD1 4.16Å; D77-I83 HydrophobicContact CB-CG1 4.25Å; P78-I83 HydrophobicContact CG-CD1 4.13Å; C81-I83 PolarHBondContact O-N 2.76Å; I83-G87 WeakPolarHBondContact O-CA 3.38Å; I83-G87 PolarHBondContact O-N 2.82Å; I83-Y91 HydrophobicContact CD1-CD2 3.38Å; I83-Y91 HydrophobicContact CD1-CE2 3.66Å; I83-Y91 HydrophobicContact CD1-CG 4.39Å; I83-L284 HydrophobicContact CB-CB 4.48Å; I83-L284 HydrophobicContact CG2-CB 3.93Å; I83-C286 WeakPolarHBondContact CA-O 3.34Å; I83-I288 PolarHBondContact O-N 2.81Å
84G92.9Very high94.4Very high7 Ų728 Ų287%0.07218%0.175CC..Hα-helixtrans71.9167.6-179.300000113.7G86 G87 S88 I288G84-G86 VanDerWaalsContact C-N 3.27Å; G84-G86 PolarHBondContact O-N 2.79Å; G84-G87 WeakPolarHBondContact O-CA 3.32Å; G84-G87 PolarHBondContact O-N 3.45Å; G84-G87 VanDerWaalsContact O-N 3.09Å; G84-S88 PolarHBondContact O-N 3.1Å; G84-S88 PolarHBondContact O-OG 2.97Å; G84-S88 VanDerWaalsContact O-OG 3.1Å; G84-I288 CarbonylContact C-O 3.56Å; G84-I288 VanDerWaalsContact C-O 3.32Å; G84-I288 WeakPolarHBondContact CA-O 3.45Å
85N94.5Very high94.4Very high39 Ų3930.9 Ų30.921%0.20919%0.188CC..Hα-helixtrans-65-28.4-177.862.4-5.8000113S88 T89 H113 I288 D289 A290N85-S88 PolarHBondContact O-N 2.88Å; N85-T89 PolarHBondContact O-N 3.5Å; N85-T89 PolarHBondContact O-OG1 2.62Å; N85-H113 HydrophobicContact CB-CB 4.46Å; N85-H113 PolarHBondContact O-NE2 3.34Å; N85-I288 PolarHBondContact N-O 3.28Å; N85-D289 VanDerWaalsContact OD1-CA 3.29Å; N85-D289 WeakPolarHBondContact OD1-CA 3.45Å; N85-A290 PolarHBondContact OD1-N 3.32Å
86G95.9Very high94.4Very high0 Ų030.1 Ų30.10%018%0.184CC..Hα-helixtrans-69.3-40.5171.800000111.4G84 T89 L90 I288G84-G86 VanDerWaalsContact C-N 3.27Å; G84-G86 PolarHBondContact O-N 2.79Å; G86-T89 WeakPolarHBondContact O-CB 3.3Å; G86-T89 PolarHBondContact O-N 3.24Å; G86-L90 WeakPolarHBondContact O-CG 3.35Å; G86-L90 PolarHBondContact O-N 2.83Å; G86-L90 VanDerWaalsContact O-N 3.12Å; G86-I288 VanDerWaalsContact CA-O 3.3Å; G86-I288 WeakPolarHBondContact CA-O 3.47Å; G86-I288 PolarHBondContact N-O 3.04Å
87G95.9Very high94.5Very high0 Ų031.8 Ų31.80%019%0.191CC..Hα-helixtrans-61.2-47.6170.700000111.8I83 G84 T89 L90 Y91 I288I83-G87 WeakPolarHBondContact O-CA 3.38Å; I83-G87 PolarHBondContact O-N 2.82Å; G84-G87 WeakPolarHBondContact O-CA 3.32Å; G84-G87 PolarHBondContact O-N 3.45Å; G84-G87 VanDerWaalsContact O-N 3.09Å; G87-T89 PolarHBondContact O-N 3.03Å; G87-L90 WeakPolarHBondContact O-CB 3.27Å; G87-L90 PolarHBondContact O-N 2.91Å; G87-Y91 WeakPolarHBondContact O-CD2 3.47Å; G87-Y91 PolarHBondContact O-N 2.84Å; G87-I288 PolarHBondContact N-O 3.09Å
88S96.8Very high94.7Very high6 Ų635.9 Ų35.94%0.04221%0.213CC..Hα-helixtrans-57.8-37.4175.9-51.30000112D77 G84 N85 A92D77-S88 VanDerWaalsContact OD1-CB 3.26Å; D77-S88 WeakPolarHBondContact OD1-CB 3.29Å; D77-S88 PolarHBondContact OD1-OG 3.29Å; D77-S88 PolarHBondContact OD2-OG 3.29Å; G84-S88 PolarHBondContact O-N 3.1Å; G84-S88 PolarHBondContact O-OG 2.97Å; G84-S88 VanDerWaalsContact O-OG 3.1Å; N85-S88 PolarHBondContact O-N 2.88Å; S88-A92 VanDerWaalsContact O-CB 3.29Å; S88-A92 WeakPolarHBondContact O-CB 3.39Å; S88-A92 PolarHBondContact O-N 2.95Å
89T97.9Very high95Very high0 Ų038.1 Ų38.10%022%0.223CC..Hα-helixtrans-59.7-48.7172-62.60000111.8N85 G86 G87 Y91 A92 L93 L111 H113 M266 F294N85-T89 PolarHBondContact O-N 3.5Å; N85-T89 PolarHBondContact O-OG1 2.62Å; G86-T89 WeakPolarHBondContact O-CB 3.3Å; G86-T89 PolarHBondContact O-N 3.24Å; G87-T89 PolarHBondContact O-N 3.03Å; T89-Y91 PolarHBondContact O-N 2.84Å; T89-A92 PolarHBondContact O-N 3.32Å; T89-L93 HydrophobicContact CG2-CD1 4.28Å; T89-L93 HydrophobicContact CG2-CG 4.45Å; T89-L93 VanDerWaalsContact O-CG 3.3Å; T89-L93 WeakPolarHBondContact O-CG 3.42Å; T89-L93 PolarHBondContact O-N 2.87Å; T89-L111 HydrophobicContact CG2-CD2 3.88Å; T89-H113 PolarHBondContact OG1-CE1 3.26Å; T89-H113 PolarHBondContact OG1-NE2 3.43Å; T89-M266 HydrophobicContact CG2-CE 3.92Å; T89-F294 HydrophobicContact CG2-CE2 4.14Å
90L97.7Very high95.5Very high0 Ų033.5 Ų33.50%019%0.188CC..Hα-helixtrans-61-43.9-179.6-65.1174.6000111.9G86 G87 L93 Q94 L274 L278 L284 F294G86-L90 WeakPolarHBondContact O-CG 3.35Å; G86-L90 PolarHBondContact O-N 2.83Å; G86-L90 VanDerWaalsContact O-N 3.12Å; G87-L90 WeakPolarHBondContact O-CB 3.27Å; G87-L90 PolarHBondContact O-N 2.91Å; L90-L93 WeakPolarHBondContact O-CB 3.43Å; L90-L93 PolarHBondContact O-N 3.37Å; L90-Q94 PolarHBondContact O-N 3.46Å; L90-L274 HydrophobicContact CD2-CB 3.75Å; L90-L274 HydrophobicContact CD2-CD2 4.29Å; L90-L278 HydrophobicContact CB-CB 4.34Å; L90-L278 HydrophobicContact CB-CD1 4.26Å; L90-L278 HydrophobicContact CB-CD2 3.99Å; L90-L278 HydrophobicContact CB-CG 4.42Å; L90-L278 WeakPolarHBondContact O-CD2 3.4Å; L90-L284 HydrophobicContact CD1-CD1 3.99Å; L90-F294 HydrophobicContact CD2-CZ 4.33Å; L90-F294 HydrophobicContact CG-CZ 4.22Å
91Y97.3Very high96Very high25 Ų2531.4 Ų31.410%0.09817%0.166CC..Hα-helixtrans-67.4-38.8176.2-84.1-82.6000112.7P78 I83 G87 T89 L93 Q94 H95 P283 L284P78-Y91 HydrophobicContact CB-CE1 4.19Å; P78-Y91 HydrophobicContact CG-CD1 4.49Å; P78-Y91 HydrophobicContact CG-CD2 4.25Å; P78-Y91 HydrophobicContact CG-CE1 3.96Å; P78-Y91 HydrophobicContact CG-CE2 3.68Å; I83-Y91 HydrophobicContact CD1-CD2 3.38Å; I83-Y91 HydrophobicContact CD1-CE2 3.66Å; I83-Y91 HydrophobicContact CD1-CG 4.39Å; G87-Y91 WeakPolarHBondContact O-CD2 3.47Å; G87-Y91 PolarHBondContact O-N 2.84Å; T89-Y91 PolarHBondContact O-N 2.84Å; Y91-L93 VanDerWaalsContact C-N 3.32Å; Y91-L93 PolarHBondContact O-N 3.44Å; Y91-Q94 WeakPolarHBondContact O-CB 3.26Å; Y91-Q94 PolarHBondContact O-N 3.21Å; Y91-H95 PolarHBondContact O-CD2 3.44Å; Y91-H95 PolarHBondContact O-N 3.47Å; Y91-P283 WeakPolarHBondContact OH-CA 3.29Å; Y91-L284 HydrophobicContact CD2-CD1 4.4Å; Y91-L284 HydrophobicContact CE2-CB 4.29Å; Y91-L284 HydrophobicContact CE2-CD1 4.02Å; Y91-L284 HydrophobicContact CE2-CG 4.1Å; Y91-L284 PolarHBondContact OH-N 3.32Å
92A98Very high96.6Very high1 Ų138.7 Ų38.71%0.00819%0.193CC..Hα-helixtrans-61.1-41.7173.400000111.4F75 S88 T89 Q94 H95 L96 L111F75-A92 HydrophobicContact CD2-CB 3.82Å; F75-A92 HydrophobicContact CE2-CB 4.47Å; S88-A92 VanDerWaalsContact O-CB 3.29Å; S88-A92 WeakPolarHBondContact O-CB 3.39Å; S88-A92 PolarHBondContact O-N 2.95Å; T89-A92 PolarHBondContact O-N 3.32Å; A92-Q94 VanDerWaalsContact C-N 3.33Å; A92-Q94 PolarHBondContact O-N 3.39Å; A92-H95 PolarHBondContact O-N 2.97Å; A92-L96 WeakPolarHBondContact O-CB 3.4Å; A92-L96 WeakPolarHBondContact O-CD1 3.41Å; A92-L96 WeakPolarHBondContact O-CG 3.29Å; A92-L96 PolarHBondContact O-N 3.06Å; A92-L111 HydrophobicContact CB-CD1 3.72Å; A92-L111 HydrophobicContact CB-CD2 4.16Å
93L98.4Very high97Very high4 Ų436.2 Ų36.22%0.02119%0.191CC..Hα-helixtrans-60.5-42174.4-69.1176000112T89 L90 Y91 N97 F162 A271 L274 L275T89-L93 HydrophobicContact CG2-CD1 4.28Å; T89-L93 HydrophobicContact CG2-CG 4.45Å; T89-L93 VanDerWaalsContact O-CG 3.3Å; T89-L93 WeakPolarHBondContact O-CG 3.42Å; T89-L93 PolarHBondContact O-N 2.87Å; L90-L93 WeakPolarHBondContact O-CB 3.43Å; L90-L93 PolarHBondContact O-N 3.37Å; Y91-L93 VanDerWaalsContact C-N 3.32Å; Y91-L93 PolarHBondContact O-N 3.44Å; L93-N97 VanDerWaalsContact O-CB 3.31Å; L93-N97 WeakPolarHBondContact O-CB 3.41Å; L93-N97 PolarHBondContact O-N 3.13Å; L93-F162 HydrophobicContact CD2-CD1 3.64Å; L93-F162 HydrophobicContact CD2-CD2 4.1Å; L93-F162 HydrophobicContact CD2-CE1 3.35Å; L93-F162 HydrophobicContact CD2-CE2 3.84Å; L93-F162 HydrophobicContact CD2-CG 4.02Å; L93-F162 HydrophobicContact CD2-CZ 3.47Å; L93-F162 VanDerWaalsContact CD2-CZ 3.47Å; L93-A271 HydrophobicContact CD1-CB 4.25Å; L93-A271 HydrophobicContact CD2-CB 3.99Å; L93-L274 HydrophobicContact CD1-CB 4.26Å; L93-L275 HydrophobicContact CB-CB 4.49Å
94Q98.1Very high97.3Very high50 Ų5036.4 Ų36.423%0.23419%0.192CC..Hα-helixtrans-60.6-53.2175.8-177.9177.265.900111.2L90 Y91 A92 L96 N97 D98 L275 L278L90-Q94 PolarHBondContact O-N 3.46Å; Y91-Q94 WeakPolarHBondContact O-CB 3.26Å; Y91-Q94 PolarHBondContact O-N 3.21Å; A92-Q94 VanDerWaalsContact C-N 3.33Å; A92-Q94 PolarHBondContact O-N 3.39Å; Q94-L96 VanDerWaalsContact C-N 3.35Å; Q94-L96 PolarHBondContact O-N 3.2Å; Q94-N97 WeakPolarHBondContact O-CB 3.47Å; Q94-N97 PolarHBondContact O-N 3.04Å; Q94-N97 VanDerWaalsContact O-N 3.12Å; Q94-D98 PolarHBondContact O-N 3.27Å; Q94-L275 HydrophobicContact CB-CD1 3.77Å; Q94-L275 HydrophobicContact CG-CD1 4.36Å; Q94-L278 HydrophobicContact CB-CD2 4.03Å
95H98.2Very high97.5Very high68 Ų6838 Ų3832%0.31520%0.202SC..Hα-helixtrans-61.5-40.8179.5-75.7-62.3000113.2F75 Y91 A92 N97 D98 I99F75-H95 HydrophobicContact CD1-CB 3.52Å; F75-H95 AromaticContact CD1-CD2 3.94Å; F75-H95 AromaticContact CD1-CG 3.79Å; F75-H95 HydrophobicContact CE1-CB 3.4Å; F75-H95 HydrophobicContact CG-CB 4.19Å; F75-H95 HydrophobicContact CZ-CB 3.96Å; Y91-H95 PolarHBondContact O-CD2 3.44Å; Y91-H95 PolarHBondContact O-N 3.47Å; A92-H95 PolarHBondContact O-N 2.97Å; H95-N97 VanDerWaalsContact C-N 3.31Å; H95-N97 PolarHBondContact O-N 3.21Å; H95-D98 PolarHBondContact O-N 3.27Å; H95-I99 WeakPolarHBondContact O-CB 3.3Å; H95-I99 WeakPolarHBondContact O-CD1 3.42Å; H95-I99 WeakPolarHBondContact O-CG1 3.46Å; H95-I99 PolarHBondContact O-N 3.45Å
96L98.6Very high97.6Very high0 Ų041.7 Ų41.70%022%0.222CC..Hα-helixtrans-63.3-40.2175.8-71.1168.8000111.3V39 A41 F75 A92 Q94 I99 Y100 L104 V109 F162V39-L96 HydrophobicContact CG1-CD2 3.89Å; A41-L96 HydrophobicContact CB-CD1 4.48Å; F75-L96 HydrophobicContact CE2-CD1 4.23Å; F75-L96 HydrophobicContact CE2-CD2 3.72Å; F75-L96 HydrophobicContact CE2-CG 3.67Å; F75-L96 HydrophobicContact CZ-CD2 3.68Å; F75-L96 HydrophobicContact CZ-CG 3.86Å; A92-L96 WeakPolarHBondContact O-CB 3.4Å; A92-L96 WeakPolarHBondContact O-CD1 3.41Å; A92-L96 WeakPolarHBondContact O-CG 3.29Å; A92-L96 PolarHBondContact O-N 3.06Å; Q94-L96 VanDerWaalsContact C-N 3.35Å; Q94-L96 PolarHBondContact O-N 3.2Å; L96-I99 PolarHBondContact O-N 2.98Å; L96-Y100 HydrophobicContact CB-CD2 4.49Å; L96-Y100 HydrophobicContact CD2-CD2 4.08Å; L96-Y100 HydrophobicContact CD2-CE2 3.64Å; L96-Y100 WeakPolarHBondContact O-CB 3.25Å; L96-Y100 VanDerWaalsContact O-CD2 3.28Å; L96-Y100 WeakPolarHBondContact O-CD2 3.38Å; L96-Y100 PolarHBondContact O-N 3.27Å; L96-L104 HydrophobicContact CB-CD1 4.11Å; L96-L104 HydrophobicContact CB-CD2 3.99Å; L96-V109 HydrophobicContact CD1-CG1 3.95Å; L96-F162 HydrophobicContact CD1-CD1 4.41Å; L96-F162 HydrophobicContact CD1-CE1 3.78Å
97N98.3Very high97.7Very high56 Ų5643.4 Ų43.430%0.29923%0.23SC..Hα-helixtrans-66.3-38.9174.9177.484.3000112L93 Q94 H95 I99 G101 L104 L275L93-N97 VanDerWaalsContact O-CB 3.31Å; L93-N97 WeakPolarHBondContact O-CB 3.41Å; L93-N97 PolarHBondContact O-N 3.13Å; Q94-N97 WeakPolarHBondContact O-CB 3.47Å; Q94-N97 PolarHBondContact O-N 3.04Å; Q94-N97 VanDerWaalsContact O-N 3.12Å; H95-N97 VanDerWaalsContact C-N 3.31Å; H95-N97 PolarHBondContact O-N 3.21Å; N97-I99 VanDerWaalsContact C-N 3.34Å; N97-G101 WeakPolarHBondContact O-CA 3.3Å; N97-G101 PolarHBondContact O-N 3.47Å; N97-L104 HydrophobicContact CB-CD2 4.18Å; N97-L275 HydrophobicContact CB-CD2 3.53Å
98D98.1Very high97.8Very high109 Ų10946 Ų4658%0.58324%0.24SC*.Hα-helixtrans-66.8-36.8177.9-65.3-16.7000112Q94 H95Q94-D98 PolarHBondContact O-N 3.27Å; H95-D98 PolarHBondContact O-N 3.27Å
99I98.4Very high97.9Very high83 Ų8345.7 Ų45.743%0.42624%0.238SC..Hα-helixtrans-75.5-47.6179.6-66.1164.6000111.6K73 F75 H95 L96 N97K73-I99 HydrophobicContact CD-CD1 4.48Å; F75-I99 HydrophobicContact CE1-CD1 3.93Å; F75-I99 HydrophobicContact CZ-CD1 4.14Å; H95-I99 WeakPolarHBondContact O-CB 3.3Å; H95-I99 WeakPolarHBondContact O-CD1 3.42Å; H95-I99 WeakPolarHBondContact O-CG1 3.46Å; H95-I99 PolarHBondContact O-N 3.45Å; L96-I99 PolarHBondContact O-N 2.98Å; N97-I99 VanDerWaalsContact C-N 3.34Å
100Y98.3Very high98Very high38 Ų3845.7 Ų45.715%0.14924%0.238CC..Hα-helixtrans-105.7-16-168.2-58.4-63.3000114V39 Q71 K73 L96 K102 A103 L104 M107V39-Y100 HydrophobicContact CG1-CE2 4.44Å; V39-Y100 HydrophobicContact CG2-CE2 3.87Å; Q71-Y100 WeakPolarHBondContact CB-OH 3.24Å; Q71-Y100 HydrophobicContact CG-CE1 4.42Å; Q71-Y100 WeakPolarHBondContact CG-OH 3.37Å; K73-Y100 VanDerWaalsContact CE-OH 3.22Å; K73-Y100 WeakPolarHBondContact CE-OH 3.46Å; L96-Y100 HydrophobicContact CB-CD2 4.49Å; L96-Y100 HydrophobicContact CD2-CD2 4.08Å; L96-Y100 HydrophobicContact CD2-CE2 3.64Å; L96-Y100 WeakPolarHBondContact O-CB 3.25Å; L96-Y100 VanDerWaalsContact O-CD2 3.28Å; L96-Y100 WeakPolarHBondContact O-CD2 3.38Å; L96-Y100 PolarHBondContact O-N 3.27Å; Y100-K102 PolarHBondContact O-N 3.35Å; Y100-A103 VanDerWaalsContact O-CB 3.3Å; Y100-A103 WeakPolarHBondContact O-CB 3.38Å; Y100-A103 PolarHBondContact O-N 3.05Å; Y100-L104 HydrophobicContact CD2-CD1 4.23Å; Y100-M107 HydrophobicContact CD1-CE 3.64Å; Y100-M107 HydrophobicContact CD1-SD 4.07Å; Y100-M107 HydrophobicContact CD2-SD 3.97Å; Y100-M107 HydrophobicContact CE1-CE 4.17Å; Y100-M107 HydrophobicContact CE1-SD 4.49Å; Y100-M107 HydrophobicContact CE2-SD 4.38Å; Y100-M107 HydrophobicContact CG-CE 3.89Å; Y100-M107 HydrophobicContact CG-SD 3.8Å
101G97.6Very high98Very high29 Ų2945.7 Ų45.730%0.29924%0.238SC..G310 helixtrans49.4-126.6-178.700000112.5N97 A103 L104N97-G101 WeakPolarHBondContact O-CA 3.3Å; N97-G101 PolarHBondContact O-N 3.47Å; G101-A103 PolarHBondContact O-N 3.09Å; G101-L104 WeakPolarHBondContact O-CB 3.39Å; G101-L104 PolarHBondContact O-N 2.65Å
102K96.9Very high98.1Very high197 Ų19744.5 Ų44.586%0.85723%0.233SC*.G310 helixtrans-61.9-25.2179.7-66.6-176.3-178.8177.90113.6Y100 L104 S105Y100-K102 PolarHBondContact O-N 3.35Å; K102-L104 PolarHBondContact O-N 2.96Å; K102-S105 PolarHBondContact O-N 3.15Å; K102-S105 PolarHBondContact O-OG 3.03Å; K102-S105 VanDerWaalsContact O-OG 3.1Å
103A97.6Very high98Very high48 Ų4845.2 Ų45.240%0.39724%0.236SC..G310 helixtrans-67.6-24.4-178.700000112.4Y100 G101 S105 N106 M107Y100-A103 VanDerWaalsContact O-CB 3.3Å; Y100-A103 WeakPolarHBondContact O-CB 3.38Å; Y100-A103 PolarHBondContact O-N 3.05Å; G101-A103 PolarHBondContact O-N 3.09Å; A103-S105 PolarHBondContact O-N 3.34Å; A103-S105 VanDerWaalsContact O-N 3.12Å; A103-N106 PolarHBondContact O-N 3.36Å; A103-N106 VanDerWaalsContact O-N 3.07Å; A103-M107 HydrophobicContact CB-CE 4.05Å
104L98Very high97.8Very high5 Ų545.5 Ų45.53%0.02624%0.24CC..G310 helixtrans-58.2-27.7179.4-170.560.7000112.8L96 N97 Y100 G101 K102 N106 M107 V109 F162 F268L96-L104 HydrophobicContact CB-CD1 4.11Å; L96-L104 HydrophobicContact CB-CD2 3.99Å; N97-L104 HydrophobicContact CB-CD2 4.18Å; Y100-L104 HydrophobicContact CD2-CD1 4.23Å; G101-L104 WeakPolarHBondContact O-CB 3.39Å; G101-L104 PolarHBondContact O-N 2.65Å; K102-L104 PolarHBondContact O-N 2.96Å; L104-N106 PolarHBondContact O-N 2.78Å; L104-N106 VanDerWaalsContact O-N 3.08Å; L104-M107 HydrophobicContact CD1-CB 4.41Å; L104-M107 HydrophobicContact CD1-SD 4.19Å; L104-M107 PolarHBondContact O-N 2.8Å; L104-M107 VanDerWaalsContact O-N 3.16Å; L104-V109 HydrophobicContact CD1-CG2 4.17Å; L104-F162 HydrophobicContact CD1-CE1 4.37Å; L104-F162 HydrophobicContact CD1-CZ 4.08Å; L104-F162 HydrophobicContact CD2-CZ 4.03Å; L104-F162 HydrophobicContact CG-CZ 4.07Å; L104-F268 HydrophobicContact CB-CE2 4.04Å; L104-F268 HydrophobicContact CD2-CE2 4.19Å; L104-F268 HydrophobicContact CG-CD2 4.47Å; L104-F268 HydrophobicContact CG-CE2 3.84Å
105S97.4Very high96.8Very high41 Ų4144.7 Ų44.729%0.28725%0.245SC..G310 helixtrans-65.1-12.6178.972.70000114.4K102 A103 P160K102-S105 PolarHBondContact O-N 3.15Å; K102-S105 PolarHBondContact O-OG 3.03Å; K102-S105 VanDerWaalsContact O-OG 3.1Å; A103-S105 PolarHBondContact O-N 3.34Å; A103-S105 VanDerWaalsContact O-N 3.12Å; S105-P160 WeakPolarHBondContact O-CB 3.42Å
106N97.1Very high96Very high116 Ų11642.8 Ų42.862%0.6224%0.243SC*.G310 helixtrans-112.24.2-178.9-60.2-32.3000112.6A103 L104A103-N106 PolarHBondContact O-N 3.36Å; A103-N106 VanDerWaalsContact O-N 3.07Å; L104-N106 PolarHBondContact O-N 2.78Å; L104-N106 VanDerWaalsContact O-N 3.08Å
107M97.9Very high95Very high35 Ų3548.1 Ų48.117%0.17227%0.266CS..  trans-100.5146.8-174.5-66.1179.3175.200112.6D38 V39 Y100 A103 L104 V109 P160 G161D38-M107 HydrophobicContact CB-CB 4.11Å; D38-M107 HydrophobicContact CB-CG 4.26Å; D38-M107 WeakPolarHBondContact OD2-CA 3.44Å; V39-M107 HydrophobicContact CG2-SD 3.98Å; Y100-M107 HydrophobicContact CD1-CE 3.64Å; Y100-M107 HydrophobicContact CD1-SD 4.07Å; Y100-M107 HydrophobicContact CD2-SD 3.97Å; Y100-M107 HydrophobicContact CE1-CE 4.17Å; Y100-M107 HydrophobicContact CE1-SD 4.49Å; Y100-M107 HydrophobicContact CE2-SD 4.38Å; Y100-M107 HydrophobicContact CG-CE 3.89Å; Y100-M107 HydrophobicContact CG-SD 3.8Å; A103-M107 HydrophobicContact CB-CE 4.05Å; L104-M107 HydrophobicContact CD1-CB 4.41Å; L104-M107 HydrophobicContact CD1-SD 4.19Å; L104-M107 PolarHBondContact O-N 2.8Å; L104-M107 VanDerWaalsContact O-N 3.16Å; M107-V109 HydrophobicContact CB-CG2 4.31Å; M107-P160 CarbonylContact O-C 3.53Å; M107-P160 VanDerWaalsContact O-CA 3.25Å; M107-P160 WeakPolarHBondContact O-CA 3.47Å; M107-G161 PolarHBondContact O-N 3.15Å
108R98.3Very high94.6Very high54 Ų5446.3 Ų46.320%0.20426%0.258CS..EExtended strand (participates in β ladder)trans-103111.7168.8-60.4169.5-169.980.3-3.2108.2W37 D38 V39 P155 M158W37-R108 HydrophobicContact CE3-CB 4.34Å; D38-R108 PolarHBondContact N-O 3.38Å; D38-R108 PolarHBondContact OD2-N 2.93Å; D38-R108 IonicContact OD2-NH1 2.75Å; V39-R108 PolarHBondContact N-O 3.33Å; R108-P155 WeakPolarHBondContact CD-O 3.23Å; R108-P155 PolarHBondContact NE-O 3.38Å; R108-M158 HydrophobicContact CB-CE 4.06Å; R108-M158 HydrophobicContact CB-SD 4.48Å; R108-M158 HydrophobicContact CG-CE 4.42Å; R108-M158 HydrophobicContact CG-CG 4.33Å; R108-M158 PolarHBondContact NE-O 3.11Å
109V98.8Very high94.1Very high0 Ų043.5 Ų43.50%024%0.242CC..EExtended strand (participates in β ladder)trans-108.7130.7-176.2-175.80000108.7V39 A41 L96 L104 M107 G161 F162 L163V39-V109 HydrophobicContact CB-CB 4.45Å; V39-V109 HydrophobicContact CB-CG1 4.14Å; V39-V109 HydrophobicContact CB-CG2 4.05Å; V39-V109 HydrophobicContact CG1-CG1 4.34Å; V39-V109 HydrophobicContact CG2-CG2 4.27Å; V39-V109 WeakPolarHBondContact O-CA 3.31Å; A41-V109 HydrophobicContact CB-CG1 4.21Å; L96-V109 HydrophobicContact CD1-CG1 3.95Å; L104-V109 HydrophobicContact CD1-CG2 4.17Å; M107-V109 HydrophobicContact CB-CG2 4.31Å; V109-G161 PolarHBondContact N-O 2.73Å; V109-F162 HydrophobicContact CB-CD1 3.62Å; V109-F162 HydrophobicContact CB-CE1 3.94Å; V109-F162 HydrophobicContact CB-CG 4.38Å; V109-F162 HydrophobicContact CG1-CD1 3.89Å; V109-F162 HydrophobicContact CG1-CE1 4.21Å; V109-F162 HydrophobicContact CG2-CD1 4Å; V109-F162 HydrophobicContact CG2-CE1 3.78Å; V109-F162 HydrophobicContact CG2-CZ 4.46Å; V109-F162 CarbonylContact O-C 3.57Å; V109-F162 WeakPolarHBondContact O-CA 3.39Å; V109-L163 PolarHBondContact O-N 3.41Å
110I98.8Very high93.8Very high0 Ų045 Ų450%024%0.242CC..EExtended strand (participates in β ladder)trans-97.5126.4158.9-176.4172.4000108.2W37 V39 V40 A41 I112 L148 Y151 L163 T165W37-I110 HydrophobicContact CB-CG2 4.24Å; W37-I110 HydrophobicContact CD2-CB 3.7Å; W37-I110 HydrophobicContact CD2-CG2 3.64Å; W37-I110 HydrophobicContact CE3-CB 3.74Å; W37-I110 HydrophobicContact CE3-CG2 4.06Å; W37-I110 HydrophobicContact CG-CB 4.3Å; W37-I110 HydrophobicContact CG-CG2 3.68Å; W37-I110 HydrophobicContact CH2-CB 4.19Å; W37-I110 HydrophobicContact CZ2-CB 4.14Å; W37-I110 HydrophobicContact CZ2-CD1 4.19Å; W37-I110 HydrophobicContact CZ3-CB 3.97Å; V39-I110 PolarHBondContact O-N 2.92Å; V40-I110 HydrophobicContact CB-CG2 4.06Å; V40-I110 HydrophobicContact CG1-CG2 4.1Å; V40-I110 HydrophobicContact CG2-CG2 3.71Å; A41-I110 PolarHBondContact N-O 2.9Å; I110-I112 HydrophobicContact CD1-CD1 4.38Å; I110-I112 HydrophobicContact CD1-CG1 4.24Å; I110-I112 HydrophobicContact CG1-CG1 4.03Å; I110-L148 HydrophobicContact CD1-CD2 4.31Å; I110-L148 HydrophobicContact CG2-CD2 4.06Å; I110-Y151 HydrophobicContact CD1-CD2 3.75Å; I110-Y151 HydrophobicContact CD1-CE2 4.39Å; I110-L163 CarbonylContact C-O 3.43Å; I110-L163 WeakPolarHBondContact CA-O 3.33Å; I110-L163 HydrophobicContact CD1-CD2 4.17Å; I110-L163 HydrophobicContact CG1-CD2 4.26Å; I110-T165 HydrophobicContact CD1-CG2 4.27Å; I110-T165 HydrophobicContact CG1-CG2 4.35Å
111L98.7Very high93.6Very high1 Ų143.2 Ų43.21%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-112.6112.5177.717864.4000109A41 T43 T89 A92 L163 V164 T165A41-L111 HydrophobicContact CB-CD1 3.73Å; A41-L111 CarbonylContact O-C 3.55Å; A41-L111 WeakPolarHBondContact O-CA 3.2Å; T43-L111 HydrophobicContact CG2-CD1 3.81Å; T89-L111 HydrophobicContact CG2-CD2 3.88Å; A92-L111 HydrophobicContact CB-CD1 3.72Å; A92-L111 HydrophobicContact CB-CD2 4.16Å; L111-L163 PolarHBondContact N-O 2.91Å; L111-V164 HydrophobicContact CB-CG2 4.43Å; L111-V164 HydrophobicContact CD2-CG2 4.31Å; L111-V164 WeakPolarHBondContact O-CA 3.29Å; L111-T165 PolarHBondContact O-N 2.87Å
112I98.4Very high93.4Very high0 Ų042 Ų420%022%0.221CC..EExtended strand (participates in β ladder)trans-104.3115.9-176.8-51.5177.3000108.9V40 A41 V42 T43 I110 A114 I130 L144 T165 A167V40-I112 HydrophobicContact CG1-CD1 4.37Å; A41-I112 PolarHBondContact O-N 3.27Å; V42-I112 WeakPolarHBondContact CA-O 3.47Å; V42-I112 HydrophobicContact CG2-CB 4.5Å; T43-I112 PolarHBondContact N-O 3.16Å; I110-I112 HydrophobicContact CD1-CD1 4.38Å; I110-I112 HydrophobicContact CD1-CG1 4.24Å; I110-I112 HydrophobicContact CG1-CG1 4.03Å; I112-A114 PolarHBondContact O-N 3.36Å; I112-A114 VanDerWaalsContact O-N 3.13Å; I112-I130 HydrophobicContact CD1-CD1 4.47Å; I112-I130 HydrophobicContact CG2-CD1 3.74Å; I112-I130 HydrophobicContact CG2-CG1 4.24Å; I112-L144 HydrophobicContact CD1-CD1 3.92Å; I112-T165 CarbonylContact C-O 3.59Å; I112-T165 WeakPolarHBondContact CA-O 3.48Å; I112-T165 HydrophobicContact CB-CG2 4.3Å; I112-T165 HydrophobicContact CG1-CG2 3.86Å; I112-T165 HydrophobicContact CG2-CG2 4.3Å; I112-A167 HydrophobicContact CG2-CB 4.23Å
113H96.6Very high93.2Very high15 Ų1533.1 Ų33.17%0.06919%0.185CC..EExtended strand (participates in β ladder)trans-73.6101.2173-62.8150.5000110.2T43 N85 T89 V164 T165 A167T43-H113 WeakPolarHBondContact OG1-CA 3.16Å; N85-H113 HydrophobicContact CB-CB 4.46Å; N85-H113 PolarHBondContact O-NE2 3.34Å; T89-H113 PolarHBondContact OG1-CE1 3.26Å; T89-H113 PolarHBondContact OG1-NE2 3.43Å; H113-V164 WeakPolarHBondContact CE1-CG1 3.23Å; H113-T165 PolarHBondContact N-O 2.98Å; H113-A167 VanDerWaalsContact O-CB 3.27Å; H113-A167 WeakPolarHBondContact O-CB 3.42Å; H113-A167 PolarHBondContact O-N 2.77Å; H113-A167 VanDerWaalsContact O-N 3.13Å
114A93.6Very high93Very high11 Ų1131 Ų319%0.09117%0.167CC..  trans-121.76179.900000113.2V42 T43 Y53 I112 I130 A167V42-A114 HydrophobicContact CG1-CB 3.55Å; T43-A114 CarbonylContact O-C 3.47Å; T43-A114 WeakPolarHBondContact O-CB 3.45Å; T43-A114 PolarHBondContact OG1-N 3.04Å; Y53-A114 HydrophobicContact CE2-CB 3.82Å; Y53-A114 PolarHBondContact OH-O 3.27Å; I112-A114 PolarHBondContact O-N 3.36Å; I112-A114 VanDerWaalsContact O-N 3.13Å; A114-I130 HydrophobicContact CB-CB 3.8Å; A114-I130 HydrophobicContact CB-CG1 4.43Å; A114-I130 HydrophobicContact CB-CG2 3.73Å; A114-A167 HydrophobicContact CB-CB 3.82Å
115G77.9Confident92.7Very high33 Ų3331 Ų3134%0.3417%0.167SC..  trans-82.3120.5175.700000111.8T43T43-G115 PolarHBondContact O-N 3.15Å; T43-G115 VanDerWaalsContact O-N 3.09Å; T43-G115 PolarHBondContact OG1-N 3.08Å
116G80.3Confident92.4Very high27 Ų2729 Ų2928%0.27815%0.153SC..SBendtrans174.5162.4175.800000113.1S118G116-S118 VanDerWaalsContact C-N 3.33Å
117F78.6Confident92.2Very high112 Ų11223.9 Ų23.949%0.49113%0.126SC..  trans-77.8-16.5179-62.3-63.2000113.9V45 Q119 S125V45-F117 HydrophobicContact CG2-CE1 4.45Å; V45-F117 HydrophobicContact CG2-CZ 4.44Å; F117-Q119 HydrophobicContact CB-CG 3.99Å; F117-Q119 PolarHBondContact O-N 3.46Å; F117-Q119 VanDerWaalsContact O-N 3.17Å; F117-S125 VanDerWaalsContact O-CB 3.29Å; F117-S125 WeakPolarHBondContact O-CB 3.46Å; F117-S125 PolarHBondContact O-OG 3.23Å
118S88.4Confident91.9Very high19 Ų1922.3 Ų22.313%0.13312%0.119CC..  trans50.837.7-177.4-56.10000114G116 R120 M121 S125 K129G116-S118 VanDerWaalsContact C-N 3.33Å; S118-R120 PolarHBondContact O-N 2.86Å; S118-M121 CarbonylContact O-C 3.56Å; S118-M121 WeakPolarHBondContact O-CA 3.34Å; S118-M121 PolarHBondContact O-N 3.12Å; S118-S125 PolarHBondContact O-OG 3.42Å; S118-K129 WeakPolarHBondContact OG-CE 3.39Å; S118-K129 WeakPolarHBondContact OG-CG 3.4Å
119Q89.6Confident91.7Very high49 Ų4920.7 Ų20.723%0.22911%0.113CC..THydrogen-bonded Turntrans-58.8-21.3-175.9-74.1177-29.800115F117 L464 K465 W510F117-Q119 HydrophobicContact CB-CG 3.99Å; F117-Q119 PolarHBondContact O-N 3.46Å; F117-Q119 VanDerWaalsContact O-N 3.17Å; Q119-L464 WeakPolarHBondContact O-CD1 3.21Å; Q119-K465 HydrophobicContact CB-CG 4.24Å; Q119-W510 HydrophobicContact CB-CE3 4.26Å; Q119-W510 HydrophobicContact CB-CH2 4.38Å; Q119-W510 HydrophobicContact CB-CZ3 4.16Å; Q119-W510 HydrophobicContact CG-CD2 3.83Å; Q119-W510 HydrophobicContact CG-CE3 3.96Å; Q119-W510 HydrophobicContact CG-CG 4.45Å; Q119-W510 HydrophobicContact CG-CH2 3.9Å; Q119-W510 HydrophobicContact CG-CZ2 3.73Å; Q119-W510 HydrophobicContact CG-CZ3 4.01Å
120R91.3Very high91.6Very high116 Ų11620.7 Ų20.744%0.43811%0.113SC..THydrogen-bonded Turntrans-89.4-9.4175-59.5-178.4-65.9171.10.4113.1S118 G350 T351 T352S118-R120 PolarHBondContact O-N 2.86Å; R120-G350 WeakPolarHBondContact CB-O 3.42Å; R120-T351 HydrophobicContact CB-CG2 3.86Å; R120-T351 HydrophobicContact CG-CG2 4.4Å; R120-T351 CarbonylContact O-C 3.39Å; R120-T351 VanDerWaalsContact O-CA 3.28Å; R120-T351 WeakPolarHBondContact O-CA 3.5Å; R120-T352 PolarHBondContact O-N 3.31Å
121M93.4Very high91.4Very high0 Ų020.8 Ų20.80%011%0.114CC..SBendtrans-137.274.6178.2-176.45471.500109.4S118 S123 A124 M132 T351 T352 Y355S118-M121 CarbonylContact O-C 3.56Å; S118-M121 WeakPolarHBondContact O-CA 3.34Å; S118-M121 PolarHBondContact O-N 3.12Å; M121-S123 PolarHBondContact O-N 3.38Å; M121-S123 VanDerWaalsContact O-N 3.17Å; M121-S123 PolarHBondContact SD-OG 2.97Å; M121-A124 HydrophobicContact CB-CB 4.44Å; M121-A124 HydrophobicContact CG-CB 3.78Å; M121-A124 PolarHBondContact O-N 2.94Å; M121-M132 HydrophobicContact CE-CE 4.25Å; M121-M132 HydrophobicContact CG-CE 4.08Å; M121-M132 HydrophobicContact CG-SD 4.04Å; M121-M132 HydrophobicContact SD-CE 4.28Å; M121-T351 WeakPolarHBondContact CE-O 3.17Å; M121-T352 HydrophobicContact SD-CG2 4.22Å; M121-Y355 HydrophobicContact CE-CD1 4.25Å; M121-Y355 HydrophobicContact CE-CD2 4.48Å; M121-Y355 HydrophobicContact CE-CG 3.8Å
122P93.6Very high91.3Very high2 Ų221.4 Ų21.41%0.01312%0.117CC..G310 helixtrans-63.6-26.3-167.4-22.333.8000114.3A124 S125 F439 F458 L464 W510 M552P122-A124 PolarHBondContact O-N 3.36Å; P122-S125 WeakPolarHBondContact O-CB 3.33Å; P122-S125 PolarHBondContact O-N 2.98Å; P122-S125 VanDerWaalsContact O-N 3.15Å; P122-S125 PolarHBondContact O-OG 2.93Å; P122-F439 HydrophobicContact CB-CE1 3.76Å; P122-F439 HydrophobicContact CB-CZ 3.68Å; P122-F439 HydrophobicContact CG-CE1 4.09Å; P122-F439 HydrophobicContact CG-CZ 4.11Å; P122-F458 HydrophobicContact CG-CD2 4.44Å; P122-L464 HydrophobicContact CG-CD1 3.5Å; P122-L464 VanDerWaalsContact CG-CD1 3.5Å; P122-W510 HydrophobicContact CB-CZ3 4.19Å; P122-W510 HydrophobicContact CG-CZ3 4.27Å; P122-M552 HydrophobicContact CB-CE 4.03Å; P122-M552 VanDerWaalsContact O-CE 3.31Å; P122-M552 WeakPolarHBondContact O-CE 3.31Å
123S93.8Very high91.1Very high12 Ų1221.5 Ų21.58%0.08412%0.117CC..G310 helixtrans-64-25176.652.50000112.5M121 S424M121-S123 PolarHBondContact O-N 3.38Å; M121-S123 VanDerWaalsContact O-N 3.17Å; M121-S123 PolarHBondContact SD-OG 2.97Å; S123-S424 WeakPolarHBondContact CB-OG 3.37Å
124A93.6Very high91.1Very high3 Ų320.9 Ų20.93%0.02511%0.114CC..G310 helixtrans-92.8-4.1178.300000113.7M121 P122 G128 K129 M132M121-A124 HydrophobicContact CB-CB 4.44Å; M121-A124 HydrophobicContact CG-CB 3.78Å; M121-A124 PolarHBondContact O-N 2.94Å; P122-A124 PolarHBondContact O-N 3.36Å; A124-G128 CarbonylContact O-C 3.19Å; A124-G128 WeakPolarHBondContact O-CA 3.44Å; A124-G128 PolarHBondContact O-N 3.43Å; A124-K129 HydrophobicContact CB-CB 4.38Å; A124-K129 HydrophobicContact CB-CG 3.6Å; A124-M132 HydrophobicContact CB-CG 3.98Å; A124-M132 HydrophobicContact CB-SD 3.65Å
125S91.4Very high91.1Very high4 Ų420.3 Ų20.33%0.02811%0.11CC..THydrogen-bonded Turntrans-71.2-32.1-173.7-63.40000114.1F117 S118 P122 W510F117-S125 VanDerWaalsContact O-CB 3.29Å; F117-S125 WeakPolarHBondContact O-CB 3.46Å; F117-S125 PolarHBondContact O-OG 3.23Å; S118-S125 PolarHBondContact O-OG 3.42Å; P122-S125 WeakPolarHBondContact O-CB 3.33Å; P122-S125 PolarHBondContact O-N 2.98Å; P122-S125 VanDerWaalsContact O-N 3.15Å; P122-S125 PolarHBondContact O-OG 2.93Å; S125-W510 WeakPolarHBondContact OG-CH2 3.38Å
126A90.6Very high91.9Very high0 Ų019.1 Ų19.10%010%0.096CC..THydrogen-bonded Turntrans-81-50-179.900000112.3L443 L556 K559 L561 M564A126-L443 HydrophobicContact CB-CD2 3.65Å; A126-L556 HydrophobicContact CB-CD2 4.08Å; A126-K559 HydrophobicContact CB-CD 4.29Å; A126-K559 PolarHBondContact O-NZ 3Å; A126-L561 WeakPolarHBondContact O-CD2 3.48Å; A126-M564 HydrophobicContact CB-CE 3.83Å; A126-M564 HydrophobicContact CB-SD 3.96Å
127L92.2Very high92.5Very high9 Ų919.6 Ų19.65%0.04710%0.1CC..THydrogen-bonded Turntrans-103.7-6.4-170.4-68.2176.1000114.8Y53 Q56 F131 L561 M564 L565 K568Y53-L127 VanDerWaalsContact CE1-O 3.24Å; Y53-L127 WeakPolarHBondContact CE1-O 3.45Å; Q56-L127 PolarHBondContact NE2-O 3.3Å; L127-F131 VanDerWaalsContact O-CD2 3.23Å; L127-F131 WeakPolarHBondContact O-CD2 3.41Å; L127-L561 HydrophobicContact CD2-CD2 3.98Å; L127-M564 HydrophobicContact CD1-CE 4.22Å; L127-M564 HydrophobicContact CG-CE 4.26Å; L127-L565 HydrophobicContact CD1-CD2 4.46Å; L127-L565 HydrophobicContact CD2-CD2 3.94Å; L127-L565 HydrophobicContact CD2-CG 4.1Å; L127-K568 HydrophobicContact CD1-CD 4Å; L127-K568 VanDerWaalsContact CD1-CE 3.42Å
128G93.3Very high92.9Very high2 Ų220 Ų202%0.02111%0.107CC..  trans93.5141.8174.300000114.8Y53 A124 I130 F131Y53-G128 WeakPolarHBondContact OH-CA 3.31Å; A124-G128 CarbonylContact O-C 3.19Å; A124-G128 WeakPolarHBondContact O-CA 3.44Å; A124-G128 PolarHBondContact O-N 3.43Å; G128-I130 VanDerWaalsContact C-N 3.26Å; G128-I130 PolarHBondContact O-N 3.36Å; G128-F131 PolarHBondContact O-N 3.46Å; G128-F131 VanDerWaalsContact O-N 3.17Å
129K93.8Very high93Very high19 Ų1921.2 Ų21.28%0.08312%0.115CC..G310 helixtrans-62.3-33.8176.6-68.3-171.5-177.9-177.60113S118 A124 F131 M132 D168 G350S118-K129 WeakPolarHBondContact OG-CE 3.39Å; S118-K129 WeakPolarHBondContact OG-CG 3.4Å; A124-K129 HydrophobicContact CB-CB 4.38Å; A124-K129 HydrophobicContact CB-CG 3.6Å; K129-F131 PolarHBondContact O-N 2.99Å; K129-M132 HydrophobicContact CB-SD 4.07Å; K129-M132 HydrophobicContact CG-SD 4.01Å; K129-M132 WeakPolarHBondContact O-CB 3.45Å; K129-M132 WeakPolarHBondContact O-CG 3.47Å; K129-M132 PolarHBondContact O-N 3.47Å; K129-D168 HydrophobicContact CB-CB 4.49Å; K129-D168 HydrophobicContact CD-CB 3.54Å; K129-D168 IonicContact NZ-OD2 2.93Å; K129-D168 PolarHBondContact NZ-OD2 3.41Å; K129-G350 PolarHBondContact NZ-O 2.9Å
130I96.1Very high93.1Very high0 Ų019 Ų190%011%0.105CC..G310 helixtrans-63.1-12.2178.7-162.854.8000113.2V42 Y53 I112 A114 G128 M143 L144 K147 A167V42-I130 HydrophobicContact CG1-CG2 4.33Å; Y53-I130 HydrophobicContact CE2-CG2 4.26Å; I112-I130 HydrophobicContact CD1-CD1 4.47Å; I112-I130 HydrophobicContact CG2-CD1 3.74Å; I112-I130 HydrophobicContact CG2-CG1 4.24Å; A114-I130 HydrophobicContact CB-CB 3.8Å; A114-I130 HydrophobicContact CB-CG1 4.43Å; A114-I130 HydrophobicContact CB-CG2 3.73Å; G128-I130 VanDerWaalsContact C-N 3.26Å; G128-I130 PolarHBondContact O-N 3.36Å; I130-M143 HydrophobicContact CD1-CB 4.23Å; I130-M143 CarbonylContact O-C 3.48Å; I130-M143 WeakPolarHBondContact O-CB 3.32Å; I130-L144 HydrophobicContact CD1-CB 4.28Å; I130-L144 HydrophobicContact CD1-CD1 4.42Å; I130-L144 HydrophobicContact CG1-CB 4.01Å; I130-L144 HydrophobicContact CG1-CD1 4.1Å; I130-L144 WeakPolarHBondContact O-CB 3.26Å; I130-L144 PolarHBondContact O-N 3.19Å; I130-K147 HydrophobicContact CD1-CG 4.34Å; I130-A167 HydrophobicContact CB-CB 3.86Å; I130-A167 HydrophobicContact CD1-CB 3.95Å; I130-A167 HydrophobicContact CG1-CB 4.35Å
131F95.5Very high93.3Very high3 Ų313.5 Ų13.51%0.0138%0.084CC..G310 helixtrans-112.113.3175.1-58.1-77.7000113.3Y53 Q56 I57 L127 G128 K129 Q142 L144Y53-F131 AromaticContact CD1-CD2 3.94Å; Y53-F131 HydrophobicContact CD1-CD2 3.94Å; Y53-F131 AromaticContact CD1-CE2 3.36Å; Y53-F131 HydrophobicContact CD1-CE2 3.36Å; Y53-F131 HydrophobicContact CD1-CZ 4.4Å; Y53-F131 HydrophobicContact CD2-CE2 4.19Å; Y53-F131 HydrophobicContact CE1-CD2 4.04Å; Y53-F131 AromaticContact CE1-CE2 3.85Å; Y53-F131 HydrophobicContact CE1-CE2 3.85Å; Y53-F131 AromaticContact CG-CE2 3.55Å; Y53-F131 HydrophobicContact CG-CE2 3.55Å; Y53-F131 HydrophobicContact CG-CZ 4.29Å; Q56-F131 HydrophobicContact CB-CD1 3.82Å; Q56-F131 HydrophobicContact CB-CE1 3.51Å; Q56-F131 HydrophobicContact CB-CE2 4.31Å; Q56-F131 HydrophobicContact CB-CG 4.34Å; Q56-F131 HydrophobicContact CB-CZ 3.78Å; Q56-F131 HydrophobicContact CG-CD1 4.44Å; I57-F131 HydrophobicContact CD1-CZ 4.3Å; I57-F131 HydrophobicContact CG1-CE1 4.03Å; I57-F131 HydrophobicContact CG1-CZ 3.86Å; L127-F131 VanDerWaalsContact O-CD2 3.23Å; L127-F131 WeakPolarHBondContact O-CD2 3.41Å; G128-F131 PolarHBondContact O-N 3.46Å; G128-F131 VanDerWaalsContact O-N 3.17Å; K129-F131 PolarHBondContact O-N 2.99Å; F131-Q142 PolarHBondContact O-NE2 3.43Å; F131-Q142 VanDerWaalsContact O-NE2 3.15Å; F131-L144 HydrophobicContact CE1-CD2 4.02Å
132M95.1Very high93.5Very high14 Ų1414.1 Ų14.17%0.0699%0.087CC..  trans-64.9136.2170.8-74.617263.700110M121 A124 K129 Q142 M143 I349 Y355M121-M132 HydrophobicContact CE-CE 4.25Å; M121-M132 HydrophobicContact CG-CE 4.08Å; M121-M132 HydrophobicContact CG-SD 4.04Å; M121-M132 HydrophobicContact SD-CE 4.28Å; A124-M132 HydrophobicContact CB-CG 3.98Å; A124-M132 HydrophobicContact CB-SD 3.65Å; K129-M132 HydrophobicContact CB-SD 4.07Å; K129-M132 HydrophobicContact CG-SD 4.01Å; K129-M132 WeakPolarHBondContact O-CB 3.45Å; K129-M132 WeakPolarHBondContact O-CG 3.47Å; K129-M132 PolarHBondContact O-N 3.47Å; M132-Q142 CarbonylContact O-C 3.59Å; M132-Q142 WeakPolarHBondContact O-CA 3.45Å; M132-Q142 WeakPolarHBondContact O-CB 3.32Å; M132-M143 HydrophobicContact CB-CG 4.14Å; M132-M143 PolarHBondContact O-N 3.3Å; M132-I349 HydrophobicContact CE-CG2 4.33Å; M132-Y355 HydrophobicContact CE-CD2 3.46Å; M132-Y355 VanDerWaalsContact CE-CD2 3.46Å; M132-Y355 HydrophobicContact CE-CE2 3.34Å; M132-Y355 HydrophobicContact CE-CG 4.15Å
133P95Very high93.6Very high1 Ų114.3 Ų14.31%0.0069%0.088CC..BIsolated β-bridgetrans-74.9147.9178.733.2-33.9000110.5I140 M390 Y391 E407 Y408P133-I140 HydrophobicContact CB-CD1 4.46Å; P133-M390 HydrophobicContact CB-SD 3.99Å; P133-M390 HydrophobicContact CG-CB 4.48Å; P133-M390 HydrophobicContact CG-CE 4.04Å; P133-M390 HydrophobicContact CG-SD 4.01Å; P133-Y391 HydrophobicContact CB-CD2 4Å; P133-Y391 HydrophobicContact CB-CE2 4.14Å; P133-E407 WeakPolarHBondContact CD-OE2 3.48Å; P133-E407 HydrophobicContact CG-CB 4.46Å; P133-E407 WeakPolarHBondContact CG-OE2 3.46Å; P133-Y408 HydrophobicContact CB-CE2 4.35Å; P133-Y408 HydrophobicContact CG-CE2 3.61Å
134L95.4Very high93.8Very high2 Ų213.8 Ų13.81%0.018%0.084CC..  trans-116.4138.5167.5-64.6173.9000108L136 I140 Y141 M143 F146 I170L134-L136 HydrophobicContact CB-CD2 3.66Å; L134-L136 HydrophobicContact CB-CG 4.4Å; L134-L136 HydrophobicContact CD1-CD2 4.3Å; L134-L136 PolarHBondContact O-N 3.49Å; L134-I140 WeakPolarHBondContact O-CD1 3.45Å; L134-I140 WeakPolarHBondContact O-CG1 3.41Å; L134-Y141 PolarHBondContact N-O 2.95Å; L134-M143 HydrophobicContact CD1-SD 3.88Å; L134-M143 HydrophobicContact CD2-SD 4.01Å; L134-M143 HydrophobicContact CG-SD 4.11Å; L134-F146 HydrophobicContact CD1-CB 3.56Å; L134-F146 HydrophobicContact CD1-CD1 3.94Å; L134-F146 HydrophobicContact CD1-CD2 3.71Å; L134-F146 HydrophobicContact CD1-CE2 4.47Å; L134-F146 HydrophobicContact CD1-CG 3.42Å; L134-F146 VanDerWaalsContact CD1-CG 3.42Å; L134-I170 HydrophobicContact CD1-CD1 4.37Å; L134-I170 HydrophobicContact CD2-CD1 4.34Å
135P94.8Very high94Very high0 Ų013.6 Ų13.60%08%0.083CC..SBendtrans-80.358.8-17334.3-36.8000111.6L359 L371 L372 A375 M390P135-L359 HydrophobicContact CG-CD2 3.98Å; P135-L371 HydrophobicContact CG-CB 4.1Å; P135-L371 HydrophobicContact CG-CD1 4.03Å; P135-L371 HydrophobicContact CG-CD2 3.99Å; P135-L371 HydrophobicContact CG-CG 4.25Å; P135-L372 VanDerWaalsContact CB-O 3.3Å; P135-L372 WeakPolarHBondContact CB-O 3.31Å; P135-L372 VanDerWaalsContact O-CB 3.3Å; P135-L372 WeakPolarHBondContact O-CB 3.44Å; P135-L372 WeakPolarHBondContact O-CG 3.27Å; P135-L372 PolarHBondContact O-N 2.86Å; P135-A375 HydrophobicContact CB-CB 3.98Å; P135-M390 HydrophobicContact CB-CG 3.87Å; P135-M390 HydrophobicContact CB-SD 3.71Å; P135-M390 HydrophobicContact CG-SD 4.12Å
136L94.4Very high94.3Very high8 Ų813.4 Ų13.44%0.0428%0.081CC..  trans-148.4157176.968.3120.5000111.5L20 L134 I140 Y141 L371L20-L136 HydrophobicContact CD1-CD1 3.68Å; L20-L136 HydrophobicContact CD2-CD1 4.13Å; L134-L136 HydrophobicContact CB-CD2 3.66Å; L134-L136 HydrophobicContact CB-CG 4.4Å; L134-L136 HydrophobicContact CD1-CD2 4.3Å; L134-L136 PolarHBondContact O-N 3.49Å; L136-I140 WeakPolarHBondContact O-CA 3.48Å; L136-Y141 HydrophobicContact CD1-CD2 3.68Å; L136-Y141 HydrophobicContact CD1-CE2 4.22Å; L136-Y141 HydrophobicContact CD1-CG 4.18Å; L136-Y141 HydrophobicContact CG-CD2 4.19Å; L136-Y141 WeakPolarHBondContact O-CD2 3.39Å; L136-Y141 PolarHBondContact O-N 2.88Å; L136-L371 HydrophobicContact CB-CD2 4.19Å; L136-L371 HydrophobicContact CD2-CD2 3.37Å; L136-L371 HydrophobicContact CG-CD2 4.4Å
137G92.1Very high94.6Very high36 Ų3613.4 Ų13.437%0.3718%0.081SC..THydrogen-bonded Turntrans80.8166.2176.100000115.4P139 I140G137-P139 CarbonylContact C-O 3.32Å; G137-I140 WeakPolarHBondContact O-CA 3.37Å
138N88.5Confident94.9Very high120 Ų12013 Ų1364%0.6428%0.079SC*.THydrogen-bonded Turntrans-143.9108.5173.9-173.58.3000108.9
139P89.1Confident95.1Very high46 Ų4612.9 Ų12.930%0.2998%0.078SC..THydrogen-bonded Turncis-61.7149.8-2.927.9-34.4000111.5E65 G137E65-P139 HydrophobicContact CG-CB 4.41Å; E65-P139 HydrophobicContact CG-CG 3.82Å; G137-P139 CarbonylContact C-O 3.32Å
140I92.8Very high95.2Very high2 Ų212 Ų121%0.017%0.074CC..THydrogen-bonded Turntrans-58140-177.4-175-175.8000110.9P133 L134 L136 G137 A375 F376 M390 Y391P133-I140 HydrophobicContact CB-CD1 4.46Å; L134-I140 WeakPolarHBondContact O-CD1 3.45Å; L134-I140 WeakPolarHBondContact O-CG1 3.41Å; L136-I140 WeakPolarHBondContact O-CA 3.48Å; G137-I140 WeakPolarHBondContact O-CA 3.37Å; I140-A375 HydrophobicContact CD1-CB 3.44Å; I140-A375 VanDerWaalsContact CD1-CB 3.44Å; I140-A375 HydrophobicContact CG1-CB 4.04Å; I140-F376 HydrophobicContact CB-CB 4.24Å; I140-F376 HydrophobicContact CG2-CB 3.94Å; I140-F376 HydrophobicContact CG2-CG 4.33Å; I140-M390 HydrophobicContact CD1-CB 4.27Å; I140-M390 HydrophobicContact CD1-CG 4.2Å; I140-Y391 HydrophobicContact CB-CE2 4.39Å; I140-Y391 HydrophobicContact CD1-CD2 4.09Å; I140-Y391 HydrophobicContact CD1-CE2 4.04Å; I140-Y391 HydrophobicContact CG1-CE2 4.49Å; I140-Y391 HydrophobicContact CG2-CD2 3.98Å; I140-Y391 HydrophobicContact CG2-CE1 3.91Å; I140-Y391 HydrophobicContact CG2-CE2 3.11Å; I140-Y391 WeakPolarHBondContact CG2-OH 3.5Å
141Y95.9Very high95.3Very high1 Ų112 Ų120%0.0047%0.074CC..PPolyproline II helixtrans-75.8145.4-179.2-79.4-95.1000112L20 L23 N24 R27 L134 L136 E145L20-Y141 HydrophobicContact CD2-CD1 4.36Å; L20-Y141 HydrophobicContact CD2-CE1 3.86Å; L20-Y141 HydrophobicContact CD2-CE2 4.12Å; L20-Y141 PolarHBondContact O-OH 3.49Å; L23-Y141 HydrophobicContact CD2-CE1 4.09Å; N24-Y141 PolarHBondContact ND2-OH 3.24Å; N24-Y141 PolarHBondContact OD1-OH 3.02Å; R27-Y141 VanDerWaalsContact NH2-CE1 3.34Å; L134-Y141 PolarHBondContact N-O 2.95Å; L136-Y141 HydrophobicContact CD1-CD2 3.68Å; L136-Y141 HydrophobicContact CD1-CE2 4.22Å; L136-Y141 HydrophobicContact CD1-CG 4.18Å; L136-Y141 HydrophobicContact CG-CD2 4.19Å; L136-Y141 WeakPolarHBondContact O-CD2 3.39Å; L136-Y141 PolarHBondContact O-N 2.88Å; Y141-E145 HydrophobicContact CD1-CB 3.48Å; Y141-E145 VanDerWaalsContact CD1-CB 3.48Å; Y141-E145 HydrophobicContact CE1-CB 3.83Å
142Q96.3Very high95.3Very high13 Ų1311.9 Ų11.96%0.0617%0.074CC..BIsolated β-bridgetrans-108168.3156.1-68.8177.6-26.400109.4F131 M132 L144 E145 F146 Y408F131-Q142 PolarHBondContact O-NE2 3.43Å; F131-Q142 VanDerWaalsContact O-NE2 3.15Å; M132-Q142 CarbonylContact O-C 3.59Å; M132-Q142 WeakPolarHBondContact O-CA 3.45Å; M132-Q142 WeakPolarHBondContact O-CB 3.32Å; Q142-L144 PolarHBondContact O-N 3.24Å; Q142-L144 VanDerWaalsContact O-N 3.12Å; Q142-E145 WeakPolarHBondContact CB-OE2 3.3Å; Q142-E145 PolarHBondContact N-OE2 3.42Å; Q142-E145 PolarHBondContact O-N 2.82Å; Q142-F146 WeakPolarHBondContact O-CB 3.43Å; Q142-F146 PolarHBondContact O-N 3.16Å; Q142-Y408 PolarHBondContact NE2-OH 3.49Å
143M96.9Very high95.2Very high6 Ų612.6 Ų12.63%0.038%0.078CC..Hα-helixtrans-51.1-36.4-179.5-76-61.2-68.600112.9I130 M132 L134 F146 K147 A167 I170I130-M143 HydrophobicContact CD1-CB 4.23Å; I130-M143 CarbonylContact O-C 3.48Å; I130-M143 WeakPolarHBondContact O-CB 3.32Å; M132-M143 HydrophobicContact CB-CG 4.14Å; M132-M143 PolarHBondContact O-N 3.3Å; L134-M143 HydrophobicContact CD1-SD 3.88Å; L134-M143 HydrophobicContact CD2-SD 4.01Å; L134-M143 HydrophobicContact CG-SD 4.11Å; M143-F146 PolarHBondContact O-N 3.38Å; M143-K147 WeakPolarHBondContact O-CB 3.31Å; M143-K147 VanDerWaalsContact O-CG 3.29Å; M143-K147 WeakPolarHBondContact O-CG 3.45Å; M143-K147 PolarHBondContact O-N 3.33Å; M143-A167 WeakPolarHBondContact CE-O 3.35Å; M143-I170 HydrophobicContact CE-CD1 4.34Å; M143-I170 HydrophobicContact CE-CG1 3.89Å; M143-I170 HydrophobicContact SD-CD1 4.1Å; M143-I170 HydrophobicContact SD-CG1 4.28Å
144L97.8Very high95.3Very high0 Ų012.5 Ų12.50%08%0.077CC..Hα-helixtrans-56.4-59.3176.7-18060.1000112.4V40 V42 I57 K60 L66 I112 I130 F131 Q142 F146 K147 L148V40-L144 HydrophobicContact CG1-CD1 4.46Å; V42-L144 HydrophobicContact CG2-CD1 4.41Å; I57-L144 HydrophobicContact CG1-CD2 3.88Å; K60-L144 HydrophobicContact CD-CD2 4.14Å; L66-L144 HydrophobicContact CD1-CD2 4.27Å; I112-L144 HydrophobicContact CD1-CD1 3.92Å; I130-L144 HydrophobicContact CD1-CB 4.28Å; I130-L144 HydrophobicContact CD1-CD1 4.42Å; I130-L144 HydrophobicContact CG1-CB 4.01Å; I130-L144 HydrophobicContact CG1-CD1 4.1Å; I130-L144 WeakPolarHBondContact O-CB 3.26Å; I130-L144 PolarHBondContact O-N 3.19Å; F131-L144 HydrophobicContact CE1-CD2 4.02Å; Q142-L144 PolarHBondContact O-N 3.24Å; Q142-L144 VanDerWaalsContact O-N 3.12Å; L144-F146 PolarHBondContact O-N 3.17Å; L144-K147 PolarHBondContact O-N 3.48Å; L144-L148 HydrophobicContact CD1-CD1 4.29Å; L144-L148 HydrophobicContact CG-CD1 4.33Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.3Å; L144-L148 PolarHBondContact O-N 2.8Å
145E97.5Very high95.3Very high0 Ų012.4 Ų12.40%08%0.077CC..Hα-helixtrans-64.4-34.9179.9-64.799.5134.700111.5L23 K60 L66 Y141 Q142 L148 A149L23-E145 HydrophobicContact CD2-CB 4.15Å; L23-E145 WeakPolarHBondContact CD2-O 3.49Å; K60-E145 WeakPolarHBondContact CD-OE1 3.48Å; K60-E145 WeakPolarHBondContact CE-OE1 3.26Å; K60-E145 WeakPolarHBondContact CE-OE2 3.43Å; K60-E145 VanDerWaalsContact NZ-CD 3.3Å; K60-E145 IonicContact NZ-OE1 3.46Å; K60-E145 PolarHBondContact NZ-OE1 2.95Å; K60-E145 IonicContact NZ-OE2 3.78Å; K60-E145 PolarHBondContact NZ-OE2 2.91Å; L66-E145 HydrophobicContact CD2-CG 3.8Å; Y141-E145 HydrophobicContact CD1-CB 3.48Å; Y141-E145 VanDerWaalsContact CD1-CB 3.48Å; Y141-E145 HydrophobicContact CE1-CB 3.83Å; Q142-E145 WeakPolarHBondContact CB-OE2 3.3Å; Q142-E145 PolarHBondContact N-OE2 3.42Å; Q142-E145 PolarHBondContact O-N 2.82Å; E145-L148 PolarHBondContact O-N 3.25Å; E145-A149 WeakPolarHBondContact O-CB 3.5Å; E145-A149 PolarHBondContact O-N 2.78Å
146F97.4Very high95.3Very high0 Ų015.1 Ų15.10%010%0.096CC..Hα-helixtrans-65-47.3178.3-174.2-92000111.9L20 L134 Q142 M143 L144 L148 A149 M150 I170 L172 L369L20-F146 HydrophobicContact CD2-CD2 4.16Å; L20-F146 HydrophobicContact CD2-CE2 4.35Å; L134-F146 HydrophobicContact CD1-CB 3.56Å; L134-F146 HydrophobicContact CD1-CD1 3.94Å; L134-F146 HydrophobicContact CD1-CD2 3.71Å; L134-F146 HydrophobicContact CD1-CE2 4.47Å; L134-F146 HydrophobicContact CD1-CG 3.42Å; L134-F146 VanDerWaalsContact CD1-CG 3.42Å; Q142-F146 WeakPolarHBondContact O-CB 3.43Å; Q142-F146 PolarHBondContact O-N 3.16Å; M143-F146 PolarHBondContact O-N 3.38Å; L144-F146 PolarHBondContact O-N 3.17Å; F146-L148 VanDerWaalsContact C-N 3.31Å; F146-L148 PolarHBondContact O-N 2.59Å; F146-A149 WeakPolarHBondContact O-CB 3.42Å; F146-A149 PolarHBondContact O-N 2.98Å; F146-A149 VanDerWaalsContact O-N 3.1Å; F146-M150 HydrophobicContact CD1-CG 4.08Å; F146-M150 HydrophobicContact CE1-CG 3.48Å; F146-M150 VanDerWaalsContact CE1-CG 3.48Å; F146-M150 HydrophobicContact CE1-SD 4.14Å; F146-M150 HydrophobicContact CE2-CE 3.89Å; F146-M150 HydrophobicContact CE2-CG 4.5Å; F146-M150 HydrophobicContact CE2-SD 4.37Å; F146-M150 HydrophobicContact CZ-CE 3.87Å; F146-M150 HydrophobicContact CZ-CG 3.72Å; F146-M150 HydrophobicContact CZ-SD 3.73Å; F146-M150 WeakPolarHBondContact O-CG 3.45Å; F146-M150 PolarHBondContact O-N 3.27Å; F146-I170 HydrophobicContact CD1-CD1 4.21Å; F146-I170 HydrophobicContact CD1-CG1 4.04Å; F146-I170 HydrophobicContact CE1-CB 4.1Å; F146-I170 HydrophobicContact CE1-CD1 3.92Å; F146-I170 HydrophobicContact CE1-CG1 3.69Å; F146-I170 HydrophobicContact CE1-CG2 3.54Å; F146-I170 HydrophobicContact CZ-CG2 3.91Å; F146-L172 HydrophobicContact CZ-CD2 4.03Å; F146-L369 HydrophobicContact CE2-CD2 3.7Å; F146-L369 HydrophobicContact CZ-CD1 4.5Å; F146-L369 HydrophobicContact CZ-CD2 3.55Å
147K96.9Very high95.3Very high0 Ų018.2 Ų18.20%011%0.11CC..Hα-helixtrans-59.3-43174-69.6-66.9-67.6-164.90111.3I130 M143 L144 A149 M150 Y151 T165 C166 D169 E171I130-K147 HydrophobicContact CD1-CG 4.34Å; M143-K147 WeakPolarHBondContact O-CB 3.31Å; M143-K147 VanDerWaalsContact O-CG 3.29Å; M143-K147 WeakPolarHBondContact O-CG 3.45Å; M143-K147 PolarHBondContact O-N 3.33Å; L144-K147 PolarHBondContact O-N 3.48Å; K147-A149 VanDerWaalsContact C-N 3.29Å; K147-A149 PolarHBondContact O-N 2.79Å; K147-M150 PolarHBondContact O-N 2.94Å; K147-Y151 PolarHBondContact NZ-OH 3.42Å; K147-Y151 VanDerWaalsContact O-CD2 3.25Å; K147-Y151 WeakPolarHBondContact O-CD2 3.42Å; K147-Y151 PolarHBondContact O-N 2.88Å; K147-T165 WeakPolarHBondContact CE-OG1 3.37Å; K147-T165 PolarHBondContact NZ-OG1 3.09Å; K147-C166 WeakPolarHBondContact CE-O 3.43Å; K147-C166 PolarHBondContact NZ-O 3.19Å; K147-D169 WeakPolarHBondContact CD-O 3.22Å; K147-D169 PolarHBondContact NZ-O 3.13Å; K147-D169 IonicContact NZ-OD1 3.8Å; K147-D169 PolarHBondContact NZ-OD1 2.82Å; K147-E171 VanDerWaalsContact NZ-CD 3.29Å; K147-E171 IonicContact NZ-OE1 3.28Å; K147-E171 PolarHBondContact NZ-OE1 2.92Å; K147-E171 IonicContact NZ-OE2 3.2Å; K147-E171 PolarHBondContact NZ-OE2 3.01Å
148L97.9Very high95.5Very high0 Ų016.8 Ų16.80%09%0.094CC..Hα-helixtrans-63.2-35176-70.3177.9000112.7L23 F36 V40 L66 Y72 I110 L144 E145 F146 V152L23-L148 HydrophobicContact CD2-CB 4.3Å; F36-L148 HydrophobicContact CZ-CB 4.15Å; F36-L148 HydrophobicContact CZ-CD1 4.39Å; F36-L148 HydrophobicContact CZ-CD2 4.21Å; F36-L148 HydrophobicContact CZ-CG 4.49Å; V40-L148 HydrophobicContact CG1-CD2 4.08Å; V40-L148 HydrophobicContact CG2-CD2 3.75Å; L66-L148 HydrophobicContact CD2-CD1 3.76Å; Y72-L148 HydrophobicContact CE1-CD1 4.48Å; I110-L148 HydrophobicContact CD1-CD2 4.31Å; I110-L148 HydrophobicContact CG2-CD2 4.06Å; L144-L148 HydrophobicContact CD1-CD1 4.29Å; L144-L148 HydrophobicContact CG-CD1 4.33Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.3Å; L144-L148 PolarHBondContact O-N 2.8Å; E145-L148 PolarHBondContact O-N 3.25Å; F146-L148 VanDerWaalsContact C-N 3.31Å; F146-L148 PolarHBondContact O-N 2.59Å; L148-V152 PolarHBondContact O-N 3.44Å
149A97.6Very high95.9Very high0 Ų016.6 Ų16.60%09%0.087CC..Hα-helixtrans-68.3-44.8174.900000111.1K19 L20 L23 E145 F146 K147 Y151 V152K19-A149 WeakPolarHBondContact CB-O 3.42Å; L20-A149 HydrophobicContact CD2-CB 3.78Å; L23-A149 HydrophobicContact CB-CB 3.94Å; L23-A149 HydrophobicContact CD2-CB 3.7Å; L23-A149 HydrophobicContact CG-CB 4.46Å; E145-A149 WeakPolarHBondContact O-CB 3.5Å; E145-A149 PolarHBondContact O-N 2.78Å; F146-A149 WeakPolarHBondContact O-CB 3.42Å; F146-A149 PolarHBondContact O-N 2.98Å; F146-A149 VanDerWaalsContact O-N 3.1Å; K147-A149 VanDerWaalsContact C-N 3.29Å; K147-A149 PolarHBondContact O-N 2.79Å; A149-Y151 PolarHBondContact O-N 2.83Å; A149-Y151 VanDerWaalsContact O-N 3.11Å; A149-V152 WeakPolarHBondContact O-CB 3.18Å; A149-V152 WeakPolarHBondContact O-CG1 3.41Å; A149-V152 PolarHBondContact O-N 2.81Å; A149-V152 VanDerWaalsContact O-N 3.15Å
150M96.9Very high96.3Very high0 Ų016.1 Ų16.10%08%0.084CC..Hα-helixtrans-61.4-23.9-177.4-70.2-52.497.100113.2T16 K19 L20 F146 K147 L172 Y173T16-M150 HydrophobicContact CG2-CE 3.92Å; T16-M150 HydrophobicContact CG2-SD 4.36Å; K19-M150 HydrophobicContact CB-CE 4.02Å; K19-M150 HydrophobicContact CD-CE 4.34Å; K19-M150 HydrophobicContact CD-SD 4.33Å; L20-M150 HydrophobicContact CD2-CE 4.31Å; L20-M150 HydrophobicContact CG-CE 4.29Å; F146-M150 HydrophobicContact CD1-CG 4.08Å; F146-M150 HydrophobicContact CE1-CG 3.48Å; F146-M150 VanDerWaalsContact CE1-CG 3.48Å; F146-M150 HydrophobicContact CE1-SD 4.14Å; F146-M150 HydrophobicContact CE2-CE 3.89Å; F146-M150 HydrophobicContact CE2-CG 4.5Å; F146-M150 HydrophobicContact CE2-SD 4.37Å; F146-M150 HydrophobicContact CZ-CE 3.87Å; F146-M150 HydrophobicContact CZ-CG 3.72Å; F146-M150 HydrophobicContact CZ-SD 3.73Å; F146-M150 WeakPolarHBondContact O-CG 3.45Å; F146-M150 PolarHBondContact O-N 3.27Å; K147-M150 PolarHBondContact O-N 2.94Å; M150-L172 HydrophobicContact SD-CD2 3.77Å; M150-Y173 WeakPolarHBondContact O-CE1 3.47Å; M150-Y173 PolarHBondContact O-OH 2.86Å
151Y96.6Very high96.6Very high0 Ų016 Ų160%08%0.084CC..THydrogen-bonded Turntrans-116.519.9179-48.7-46.8000113.8I110 K147 A149 D153 F154 P155 L163 T165 E171 T263I110-Y151 HydrophobicContact CD1-CD2 3.75Å; I110-Y151 HydrophobicContact CD1-CE2 4.39Å; K147-Y151 PolarHBondContact NZ-OH 3.42Å; K147-Y151 VanDerWaalsContact O-CD2 3.25Å; K147-Y151 WeakPolarHBondContact O-CD2 3.42Å; K147-Y151 PolarHBondContact O-N 2.88Å; A149-Y151 PolarHBondContact O-N 2.83Å; A149-Y151 VanDerWaalsContact O-N 3.11Å; Y151-D153 PolarHBondContact O-N 3.2Å; Y151-D153 VanDerWaalsContact O-N 3.17Å; Y151-F154 AromaticContact CD1-CD2 3.91Å; Y151-F154 HydrophobicContact CD1-CD2 3.91Å; Y151-F154 AromaticContact CD1-CE2 3.28Å; Y151-F154 HydrophobicContact CD1-CE2 3.28Å; Y151-F154 AromaticContact CD1-CZ 3.81Å; Y151-F154 HydrophobicContact CD1-CZ 3.81Å; Y151-F154 AromaticContact CE1-CE2 4Å; Y151-F154 HydrophobicContact CE1-CE2 4Å; Y151-F154 HydrophobicContact CE1-CZ 4.46Å; Y151-F154 HydrophobicContact CG-CD2 4.02Å; Y151-F154 AromaticContact CG-CE2 3.87Å; Y151-F154 HydrophobicContact CG-CE2 3.87Å; Y151-F154 PolarHBondContact O-N 3.48Å; Y151-P155 WeakPolarHBondContact O-CD 3.37Å; Y151-L163 HydrophobicContact CD2-CD2 3.85Å; Y151-L163 HydrophobicContact CE2-CD2 4.24Å; Y151-L163 HydrophobicContact CG-CD2 3.98Å; Y151-T165 HydrophobicContact CE2-CG2 4.02Å; Y151-T165 PolarHBondContact OH-OG1 2.7Å; Y151-E171 PolarHBondContact OH-OE1 2.8Å; Y151-E171 PolarHBondContact OH-OE2 2.85Å; Y151-T263 HydrophobicContact CE1-CG2 4.18Å
152V96.6Very high96.7Very high1 Ų116.1 Ų16.11%0.0068%0.084CC..THydrogen-bonded Turntrans-63.5-21.1-17569.70000113.5K19 R22 L23 L26 F36 L148 A149K19-V152 HydrophobicContact CB-CG1 4.23Å; K19-V152 HydrophobicContact CG-CG1 4.29Å; R22-V152 HydrophobicContact CB-CG1 4.03Å; R22-V152 HydrophobicContact CB-CG2 4.32Å; R22-V152 HydrophobicContact CG-CG1 4.04Å; R22-V152 HydrophobicContact CG-CG2 3.75Å; R22-V152 PolarHBondContact NH2-O 2.73Å; L23-V152 HydrophobicContact CB-CG2 4.47Å; L26-V152 HydrophobicContact CD1-CG2 3.99Å; F36-V152 HydrophobicContact CD2-CG2 4.08Å; F36-V152 HydrophobicContact CE2-CG2 3.96Å; L148-V152 PolarHBondContact O-N 3.44Å; A149-V152 WeakPolarHBondContact O-CB 3.18Å; A149-V152 WeakPolarHBondContact O-CG1 3.41Å; A149-V152 PolarHBondContact O-N 2.81Å; A149-V152 VanDerWaalsContact O-N 3.15Å
153D93.1Very high96.9Very high28 Ų2815.5 Ų15.515%0.158%0.081CC..THydrogen-bonded Turntrans-85.9-25.1-179.556.2-26.9000113.7Y151 S156 Y173Y151-D153 PolarHBondContact O-N 3.2Å; Y151-D153 VanDerWaalsContact O-N 3.17Å; D153-S156 PolarHBondContact O-N 3.15Å; D153-S156 PolarHBondContact O-OG 2.85Å; D153-Y173 PolarHBondContact OD1-OH 3.17Å; D153-Y173 PolarHBondContact OD2-OH 2.79Å
154F96.3Very high96.9Very high0 Ų015.2 Ų15.20%08%0.08CC..G310 helixtrans-62.2-43.3-172.9-66.5-5.9000114.9W37 Y151 S156 Q157 M158 L163 Y173 V181 F183 L191W37-F154 HydrophobicContact CH2-CB 4.01Å; W37-F154 HydrophobicContact CZ2-CB 4.08Å; Y151-F154 AromaticContact CD1-CD2 3.91Å; Y151-F154 HydrophobicContact CD1-CD2 3.91Å; Y151-F154 AromaticContact CD1-CE2 3.28Å; Y151-F154 HydrophobicContact CD1-CE2 3.28Å; Y151-F154 AromaticContact CD1-CZ 3.81Å; Y151-F154 HydrophobicContact CD1-CZ 3.81Å; Y151-F154 AromaticContact CE1-CE2 4Å; Y151-F154 HydrophobicContact CE1-CE2 4Å; Y151-F154 HydrophobicContact CE1-CZ 4.46Å; Y151-F154 HydrophobicContact CG-CD2 4.02Å; Y151-F154 AromaticContact CG-CE2 3.87Å; Y151-F154 HydrophobicContact CG-CE2 3.87Å; Y151-F154 PolarHBondContact O-N 3.48Å; F154-S156 PolarHBondContact O-N 3.34Å; F154-S156 VanDerWaalsContact O-N 3.07Å; F154-Q157 CarbonylContact O-C 3.43Å; F154-Q157 PolarHBondContact O-N 3.09Å; F154-M158 WeakPolarHBondContact O-CB 3.37Å; F154-M158 PolarHBondContact O-N 3.43Å; F154-L163 HydrophobicContact CD2-CD1 4.18Å; F154-L163 HydrophobicContact CD2-CD2 3.82Å; F154-L163 HydrophobicContact CE2-CD1 4.35Å; F154-L163 HydrophobicContact CE2-CD2 4.19Å; F154-Y173 HydrophobicContact CE1-CE2 4.39Å; F154-Y173 AromaticContact CE1-CZ 3.77Å; F154-Y173 WeakPolarHBondContact CE1-OH 3.19Å; F154-Y173 HydrophobicContact CZ-CE1 4.23Å; F154-Y173 AromaticContact CZ-CZ 3.83Å; F154-Y173 WeakPolarHBondContact CZ-OH 3.38Å; F154-V181 HydrophobicContact CD1-CB 4.21Å; F154-V181 HydrophobicContact CD1-CG1 4.24Å; F154-V181 HydrophobicContact CE1-CB 3.72Å; F154-V181 HydrophobicContact CE1-CG1 3.69Å; F154-V181 HydrophobicContact CE1-CG2 4.08Å; F154-V181 HydrophobicContact CZ-CG1 4.07Å; F154-F183 HydrophobicContact CB-CD2 4.37Å; F154-F183 HydrophobicContact CB-CE2 3.93Å; F154-F183 AromaticContact CD1-CE2 3.93Å; F154-F183 HydrophobicContact CD1-CE2 3.93Å; F154-F183 AromaticContact CD2-CE2 3.49Å; F154-F183 HydrophobicContact CD2-CE2 3.49Å; F154-F183 VanDerWaalsContact CD2-CE2 3.49Å; F154-F183 AromaticContact CD2-CZ 3.93Å; F154-F183 HydrophobicContact CD2-CZ 3.93Å; F154-F183 HydrophobicContact CE1-CE2 4.27Å; F154-F183 AromaticContact CE2-CE2 3.88Å; F154-F183 HydrophobicContact CE2-CE2 3.88Å; F154-F183 AromaticContact CE2-CZ 3.87Å; F154-F183 HydrophobicContact CE2-CZ 3.87Å; F154-F183 HydrophobicContact CG-CD2 4.42Å; F154-F183 AromaticContact CG-CE2 3.54Å; F154-F183 HydrophobicContact CG-CE2 3.54Å; F154-F183 HydrophobicContact CG-CZ 4.36Å; F154-F183 HydrophobicContact CZ-CE2 4.26Å; F154-F183 HydrophobicContact CZ-CZ 4.24Å; F154-L191 HydrophobicContact CE2-CD1 4.02Å; F154-L191 HydrophobicContact CZ-CD1 3.77Å
155P96.5Very high96.9Very high0 Ų015.2 Ų15.20%08%0.08CC..G310 helixtrans-54.8-35.4-176.4-29.937.5000114F36 W37 R108 Y151 Q157 M158F36-P155 WeakPolarHBondContact O-CB 3.19Å; W37-P155 HydrophobicContact CD2-CG 3.66Å; W37-P155 HydrophobicContact CE3-CG 4Å; W37-P155 HydrophobicContact CG-CG 4.04Å; W37-P155 HydrophobicContact CH2-CG 4.26Å; W37-P155 HydrophobicContact CZ2-CG 3.96Å; W37-P155 HydrophobicContact CZ3-CG 4.3Å; R108-P155 WeakPolarHBondContact CD-O 3.23Å; R108-P155 PolarHBondContact NE-O 3.38Å; Y151-P155 WeakPolarHBondContact O-CD 3.37Å; P155-Q157 PolarHBondContact O-N 3.42Å; P155-M158 PolarHBondContact O-N 3.35Å
156S94.3Very high96.7Very high57 Ų5716.3 Ų16.340%0.3999%0.087SC..G310 helixtrans-70.4-18.9179700000114.3D153 F154D153-S156 PolarHBondContact O-N 3.15Å; D153-S156 PolarHBondContact O-OG 2.85Å; F154-S156 PolarHBondContact O-N 3.34Å; F154-S156 VanDerWaalsContact O-N 3.07Å
157Q95.3Very high96.5Very high72 Ų7216.4 Ų16.434%0.3369%0.088SC..G310 helixtrans-11913.4-177.3-53.8-58-46.400112.1F154 P155 R180 V181 S182 F183F154-Q157 CarbonylContact O-C 3.43Å; F154-Q157 PolarHBondContact O-N 3.09Å; P155-Q157 PolarHBondContact O-N 3.42Å; Q157-R180 HydrophobicContact CG-CB 4.08Å; Q157-R180 HydrophobicContact CG-CG 4.48Å; Q157-V181 WeakPolarHBondContact CB-O 3.42Å; Q157-S182 WeakPolarHBondContact O-CA 3.42Å; Q157-F183 PolarHBondContact O-N 3.3Å
158M96.5Very high96.1Very high7 Ų718 Ų183%0.03410%0.096CC..BIsolated β-bridgetrans-116.8131.8-173.5174.5172159.400110.6W37 R108 F154 P155 G161 F183 Y265W37-M158 HydrophobicContact CH2-SD 3.9Å; W37-M158 HydrophobicContact CZ3-CE 3.97Å; W37-M158 HydrophobicContact CZ3-SD 3.58Å; W37-M158 VanDerWaalsContact CZ3-SD 3.58Å; R108-M158 HydrophobicContact CB-CE 4.06Å; R108-M158 HydrophobicContact CB-SD 4.48Å; R108-M158 HydrophobicContact CG-CE 4.42Å; R108-M158 HydrophobicContact CG-CG 4.33Å; R108-M158 PolarHBondContact NE-O 3.11Å; F154-M158 WeakPolarHBondContact O-CB 3.37Å; F154-M158 PolarHBondContact O-N 3.43Å; P155-M158 PolarHBondContact O-N 3.35Å; M158-G161 VanDerWaalsContact CE-C 3.44Å; M158-G161 VanDerWaalsContact CE-O 3.26Å; M158-G161 WeakPolarHBondContact CE-O 3.35Å; M158-F183 HydrophobicContact CB-CB 4.09Å; M158-F183 HydrophobicContact CB-CD2 4.1Å; M158-F183 HydrophobicContact CG-CB 3.97Å; M158-F183 HydrophobicContact CG-CD2 4.36Å; M158-F183 HydrophobicContact SD-CD2 4.48Å; M158-Y265 HydrophobicContact CE-CD2 3.65Å; M158-Y265 HydrophobicContact CE-CE2 3.61Å; M158-Y265 HydrophobicContact CG-CD2 4.13Å; M158-Y265 HydrophobicContact CG-CE2 3.86Å; M158-Y265 HydrophobicContact SD-CD2 4.01Å; M158-Y265 HydrophobicContact SD-CE2 4.2Å
159K97Very high95.7Very high115 Ų11518.3 Ų18.350%0.510%0.098SC..  trans-72.5158165-75.2-177.3-178.7164.80110.3G161 F183 D184 Y265K159-G161 PolarHBondContact O-N 2.84Å; K159-F183 PolarHBondContact N-O 2.74Å; K159-D184 PolarHBondContact NZ-O 2.75Å; K159-Y265 PolarHBondContact O-OH 2.75Å
160P97.5Very high95.5Very high37 Ų3718.3 Ų18.324%0.2410%0.098CC..SBendtrans-49.3131.1172.6-29.937.4000112.8S105 M107 Y265S105-P160 WeakPolarHBondContact O-CB 3.42Å; M107-P160 CarbonylContact O-C 3.53Å; M107-P160 VanDerWaalsContact O-CA 3.25Å; M107-P160 WeakPolarHBondContact O-CA 3.47Å; P160-Y265 PolarHBondContact O-OH 2.81Å
161G98.3Very high95.4Very high0 Ų018.3 Ų18.30%010%0.098CC..EExtended strand (participates in β ladder)trans161.3-164.4-168.600000111.8M107 V109 M158 K159 M266M107-G161 PolarHBondContact O-N 3.15Å; V109-G161 PolarHBondContact N-O 2.73Å; M158-G161 VanDerWaalsContact CE-C 3.44Å; M158-G161 VanDerWaalsContact CE-O 3.26Å; M158-G161 WeakPolarHBondContact CE-O 3.35Å; K159-G161 PolarHBondContact O-N 2.84Å; G161-M266 WeakPolarHBondContact CA-O 3.08Å
162F98.7Very high95.3Very high3 Ų318.3 Ų18.31%0.01310%0.098CC..EExtended strand (participates in β ladder)trans-129.1118.5-168.7-58.1-97.9000110.4L93 L96 L104 V109 Y265 M266 F268 A271L93-F162 HydrophobicContact CD2-CD1 3.64Å; L93-F162 HydrophobicContact CD2-CD2 4.1Å; L93-F162 HydrophobicContact CD2-CE1 3.35Å; L93-F162 HydrophobicContact CD2-CE2 3.84Å; L93-F162 HydrophobicContact CD2-CG 4.02Å; L93-F162 HydrophobicContact CD2-CZ 3.47Å; L93-F162 VanDerWaalsContact CD2-CZ 3.47Å; L96-F162 HydrophobicContact CD1-CD1 4.41Å; L96-F162 HydrophobicContact CD1-CE1 3.78Å; L104-F162 HydrophobicContact CD1-CE1 4.37Å; L104-F162 HydrophobicContact CD1-CZ 4.08Å; L104-F162 HydrophobicContact CD2-CZ 4.03Å; L104-F162 HydrophobicContact CG-CZ 4.07Å; V109-F162 HydrophobicContact CB-CD1 3.62Å; V109-F162 HydrophobicContact CB-CE1 3.94Å; V109-F162 HydrophobicContact CB-CG 4.38Å; V109-F162 HydrophobicContact CG1-CD1 3.89Å; V109-F162 HydrophobicContact CG1-CE1 4.21Å; V109-F162 HydrophobicContact CG2-CD1 4Å; V109-F162 HydrophobicContact CG2-CE1 3.78Å; V109-F162 HydrophobicContact CG2-CZ 4.46Å; V109-F162 CarbonylContact O-C 3.57Å; V109-F162 WeakPolarHBondContact O-CA 3.39Å; F162-Y265 CarbonylContact O-C 3.53Å; F162-Y265 VanDerWaalsContact O-CA 3.27Å; F162-Y265 WeakPolarHBondContact O-CA 3.38Å; F162-M266 HydrophobicContact CB-CE 4.36Å; F162-M266 PolarHBondContact N-O 2.7Å; F162-M266 PolarHBondContact O-N 2.84Å; F162-F268 HydrophobicContact CE2-CD2 4.08Å; F162-A271 HydrophobicContact CD2-CB 3.41Å; F162-A271 VanDerWaalsContact CD2-CB 3.41Å; F162-A271 HydrophobicContact CE2-CB 3.37Å; F162-A271 HydrophobicContact CG-CB 4.43Å; F162-A271 HydrophobicContact CZ-CB 4.35Å
163L98.6Very high95.2Very high0 Ų018.3 Ų18.30%010%0.098CC..EExtended strand (participates in β ladder)trans-89.3122.5165.2-171.583.8000108.6W37 V109 I110 L111 Y151 F154 F183W37-L163 HydrophobicContact CH2-CB 3.82Å; W37-L163 HydrophobicContact CH2-CD2 3.7Å; W37-L163 HydrophobicContact CH2-CG 4.34Å; W37-L163 HydrophobicContact CZ2-CD2 3.98Å; W37-L163 HydrophobicContact CZ3-CB 4.09Å; V109-L163 PolarHBondContact O-N 3.41Å; I110-L163 CarbonylContact C-O 3.43Å; I110-L163 WeakPolarHBondContact CA-O 3.33Å; I110-L163 HydrophobicContact CD1-CD2 4.17Å; I110-L163 HydrophobicContact CG1-CD2 4.26Å; L111-L163 PolarHBondContact N-O 2.91Å; Y151-L163 HydrophobicContact CD2-CD2 3.85Å; Y151-L163 HydrophobicContact CE2-CD2 4.24Å; Y151-L163 HydrophobicContact CG-CD2 3.98Å; F154-L163 HydrophobicContact CD2-CD1 4.18Å; F154-L163 HydrophobicContact CD2-CD2 3.82Å; F154-L163 HydrophobicContact CE2-CD1 4.35Å; F154-L163 HydrophobicContact CE2-CD2 4.19Å; L163-F183 HydrophobicContact CD1-CE1 4.27Å; L163-F183 HydrophobicContact CD1-CE2 4.31Å; L163-F183 HydrophobicContact CD1-CZ 3.88Å
164V98.4Very high95.3Very high0 Ų017.2 Ų17.20%09%0.093CC..EExtended strand (participates in β ladder)trans-107.3129.8-179.8-178.20000110.1L111 H113 T263 Y264 M266L111-V164 HydrophobicContact CB-CG2 4.43Å; L111-V164 HydrophobicContact CD2-CG2 4.31Å; L111-V164 WeakPolarHBondContact O-CA 3.29Å; H113-V164 WeakPolarHBondContact CE1-CG1 3.23Å; V164-T263 WeakPolarHBondContact O-CA 3.49Å; V164-T263 WeakPolarHBondContact O-CB 3.44Å; V164-T263 PolarHBondContact O-OG1 2.67Å; V164-Y264 HydrophobicContact CB-CD2 4.28Å; V164-Y264 HydrophobicContact CB-CE1 4.18Å; V164-Y264 HydrophobicContact CB-CE2 3.8Å; V164-Y264 HydrophobicContact CG1-CE1 4.2Å; V164-Y264 HydrophobicContact CG1-CE2 4.43Å; V164-Y264 HydrophobicContact CG2-CD2 4.46Å; V164-Y264 HydrophobicContact CG2-CE2 3.78Å; V164-Y264 PolarHBondContact N-O 3.07Å; V164-Y264 PolarHBondContact O-N 3.27Å; V164-M266 HydrophobicContact CG2-CE 3.67Å
165T96.9Very high95.1Very high0 Ų019 Ų190%010%0.101CC..EExtended strand (participates in β ladder)trans-148.3162.9-177-166.80000111.4I110 L111 I112 H113 K147 Y151I110-T165 HydrophobicContact CD1-CG2 4.27Å; I110-T165 HydrophobicContact CG1-CG2 4.35Å; L111-T165 PolarHBondContact O-N 2.87Å; I112-T165 CarbonylContact C-O 3.59Å; I112-T165 WeakPolarHBondContact CA-O 3.48Å; I112-T165 HydrophobicContact CB-CG2 4.3Å; I112-T165 HydrophobicContact CG1-CG2 3.86Å; I112-T165 HydrophobicContact CG2-CG2 4.3Å; H113-T165 PolarHBondContact N-O 2.98Å; K147-T165 WeakPolarHBondContact CE-OG1 3.37Å; K147-T165 PolarHBondContact NZ-OG1 3.09Å; Y151-T165 HydrophobicContact CE2-CG2 4.02Å; Y151-T165 PolarHBondContact OH-OG1 2.7Å
166C93.4Very high94.8Very high22 Ų2220.4 Ų20.415%0.14911%0.111CC..EExtended strand (participates in β ladder)trans-94.9168.6176.6-62.40000112K147 D169K147-C166 WeakPolarHBondContact CE-O 3.43Å; K147-C166 PolarHBondContact NZ-O 3.19Å; C166-D169 WeakPolarHBondContact CB-OD2 3.25Å
167A92.6Very high94.4Very high2 Ų225.1 Ų25.12%0.01713%0.127CC..SBendtrans-93.5-11.4-177.800000114.5I112 H113 A114 I130 M143I112-A167 HydrophobicContact CG2-CB 4.23Å; H113-A167 VanDerWaalsContact O-CB 3.27Å; H113-A167 WeakPolarHBondContact O-CB 3.42Å; H113-A167 PolarHBondContact O-N 2.77Å; H113-A167 VanDerWaalsContact O-N 3.13Å; A114-A167 HydrophobicContact CB-CB 3.82Å; I130-A167 HydrophobicContact CB-CB 3.86Å; I130-A167 HydrophobicContact CD1-CB 3.95Å; I130-A167 HydrophobicContact CG1-CB 4.35Å; M143-A167 WeakPolarHBondContact CE-O 3.35Å
168D88.8Confident94.1Very high33 Ų3329.2 Ų29.218%0.17615%0.146CC..SBendtrans-124.912.2-167.860.4-17.3000114.5K129 H348 I349K129-D168 HydrophobicContact CB-CB 4.49Å; K129-D168 HydrophobicContact CD-CB 3.54Å; K129-D168 IonicContact NZ-OD2 2.93Å; K129-D168 PolarHBondContact NZ-OD2 3.41Å; D168-H348 IonicContact OD2-NE2 3.78Å; D168-I349 PolarHBondContact O-N 3.22Å
169D91.1Very high93.8Very high8 Ų832 Ų324%0.04316%0.159CC..EExtended strand (participates in β ladder)trans-112.9151.7170.251.67000112K147 C166 F346 Y347K147-D169 WeakPolarHBondContact CD-O 3.22Å; K147-D169 PolarHBondContact NZ-O 3.13Å; K147-D169 IonicContact NZ-OD1 3.8Å; K147-D169 PolarHBondContact NZ-OD1 2.82Å; C166-D169 WeakPolarHBondContact CB-OD2 3.25Å; D169-F346 HydrophobicContact CB-CD2 4.45Å; D169-F346 HydrophobicContact CB-CE2 3.5Å; D169-F346 VanDerWaalsContact CB-CE2 3.5Å; D169-F346 HydrophobicContact CB-CZ 3.6Å; D169-Y347 CarbonylContact C-O 3.53Å; D169-Y347 WeakPolarHBondContact CA-O 3.43Å
170I93.3Very high93.7Very high0 Ų032.3 Ų32.30%016%0.157CC..EExtended strand (participates in β ladder)trans-126.7116.3176.2-70.7177.1000108.3L134 M143 F146 L172 Y347 I349 F365 L369L134-I170 HydrophobicContact CD1-CD1 4.37Å; L134-I170 HydrophobicContact CD2-CD1 4.34Å; M143-I170 HydrophobicContact CE-CD1 4.34Å; M143-I170 HydrophobicContact CE-CG1 3.89Å; M143-I170 HydrophobicContact SD-CD1 4.1Å; M143-I170 HydrophobicContact SD-CG1 4.28Å; F146-I170 HydrophobicContact CD1-CD1 4.21Å; F146-I170 HydrophobicContact CD1-CG1 4.04Å; F146-I170 HydrophobicContact CE1-CB 4.1Å; F146-I170 HydrophobicContact CE1-CD1 3.92Å; F146-I170 HydrophobicContact CE1-CG1 3.69Å; F146-I170 HydrophobicContact CE1-CG2 3.54Å; F146-I170 HydrophobicContact CZ-CG2 3.91Å; I170-L172 HydrophobicContact CG2-CD2 3.69Å; I170-L172 HydrophobicContact CG2-CG 3.98Å; I170-Y347 HydrophobicContact CG2-CD2 4.49Å; I170-Y347 PolarHBondContact N-O 2.8Å; I170-Y347 PolarHBondContact O-N 3.11Å; I170-I349 HydrophobicContact CD1-CD1 3.65Å; I170-F365 HydrophobicContact CD1-CE2 3.82Å; I170-F365 HydrophobicContact CD1-CZ 3.72Å; I170-F365 HydrophobicContact CG2-CE2 4.25Å; I170-L369 HydrophobicContact CD1-CD1 4.49Å
171E93.4Very high93.6Very high0 Ų030.7 Ų30.70%015%0.146CC..EExtended strand (participates in β ladder)trans-104.2104.8176.4-50.381.517600110.3K147 Y151 F346K147-E171 VanDerWaalsContact NZ-CD 3.29Å; K147-E171 IonicContact NZ-OE1 3.28Å; K147-E171 PolarHBondContact NZ-OE1 2.92Å; K147-E171 IonicContact NZ-OE2 3.2Å; K147-E171 PolarHBondContact NZ-OE2 3.01Å; Y151-E171 PolarHBondContact OH-OE1 2.8Å; Y151-E171 PolarHBondContact OH-OE2 2.85Å; E171-F346 HydrophobicContact CG-CD2 4.21Å
172L95.4Very high93.5Very high0 Ų032.6 Ų32.60%016%0.159CC..EExtended strand (participates in β ladder)trans-91.7134.5169.8-53-171.2000108.4L12 T16 F146 M150 I170 S344 K345 Y347 E368 L369L12-L172 HydrophobicContact CD2-CB 4.36Å; T16-L172 HydrophobicContact CG2-CD2 4.31Å; F146-L172 HydrophobicContact CZ-CD2 4.03Å; M150-L172 HydrophobicContact SD-CD2 3.77Å; I170-L172 HydrophobicContact CG2-CD2 3.69Å; I170-L172 HydrophobicContact CG2-CG 3.98Å; L172-S344 CarbonylContact O-C 3.58Å; L172-S344 WeakPolarHBondContact O-CA 3.28Å; L172-S344 WeakPolarHBondContact O-CB 3.43Å; L172-K345 PolarHBondContact N-O 3.14Å; L172-K345 PolarHBondContact O-N 2.88Å; L172-Y347 HydrophobicContact CD1-CD2 4.44Å; L172-Y347 HydrophobicContact CD1-CE2 4.08Å; L172-E368 HydrophobicContact CD1-CB 3.77Å; L172-L369 HydrophobicContact CD1-CD2 3.87Å; L172-L369 HydrophobicContact CD1-CG 4.3Å; L172-L369 HydrophobicContact CD2-CD2 3.71Å; L172-L369 HydrophobicContact CG-CD2 4.42Å
173Y94.8Very high93.4Very high1 Ų132.4 Ų32.40%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-150.7147.9175.364.9-87.3000110.2K19 M150 D153 F154 I175 V181 L341 N343K19-Y173 VanDerWaalsContact NZ-CD2 3.31Å; K19-Y173 PolarHBondContact NZ-O 2.94Å; M150-Y173 WeakPolarHBondContact O-CE1 3.47Å; M150-Y173 PolarHBondContact O-OH 2.86Å; D153-Y173 PolarHBondContact OD1-OH 3.17Å; D153-Y173 PolarHBondContact OD2-OH 2.79Å; F154-Y173 HydrophobicContact CE1-CE2 4.39Å; F154-Y173 AromaticContact CE1-CZ 3.77Å; F154-Y173 WeakPolarHBondContact CE1-OH 3.19Å; F154-Y173 HydrophobicContact CZ-CE1 4.23Å; F154-Y173 AromaticContact CZ-CZ 3.83Å; F154-Y173 WeakPolarHBondContact CZ-OH 3.38Å; Y173-I175 HydrophobicContact CD2-CG2 4.21Å; Y173-V181 HydrophobicContact CE2-CG2 4.36Å; Y173-L341 HydrophobicContact CD1-CD1 4.33Å; Y173-L341 HydrophobicContact CD2-CD1 4.37Å; Y173-L341 HydrophobicContact CD2-CD2 4.32Å; Y173-L341 HydrophobicContact CG-CD1 3.96Å; Y173-N343 WeakPolarHBondContact CA-O 3.37Å
174S94Very high93.2Very high5 Ų535.7 Ų35.74%0.03518%0.176CC..  trans-122.8145.7166.5670000110E218 N343S174-E218 PolarHBondContact OG-OE2 3.31Å; S174-E218 VanDerWaalsContact OG-OE2 3.13Å; S174-N343 PolarHBondContact N-O 3.05Å; S174-N343 PolarHBondContact OG-ND2 3.02Å
175I92.4Very high93.1Very high36 Ų3640 Ų4019%0.18520%0.195CC..  trans-131.3156.417562.3-179000108.3Y173 E179 V181 M219 L341Y173-I175 HydrophobicContact CD2-CG2 4.21Å; I175-E179 WeakPolarHBondContact CD1-O 3.24Å; I175-V181 HydrophobicContact CD1-CG2 4.25Å; I175-V181 HydrophobicContact CG2-CG2 4.5Å; I175-M219 HydrophobicContact CG2-CB 4.01Å; I175-M219 HydrophobicContact CG2-CG 4.37Å; I175-M219 HydrophobicContact CG2-SD 4.1Å; I175-L341 HydrophobicContact CG2-CD2 4.07Å
176P90.1Very high93Very high31 Ų3143.6 Ų43.620%0.20122%0.218CC..  trans-57.6148.4174.4-24.636000111.9E178 E179 E218P176-E178 PolarHBondContact O-N 3.26Å; P176-E178 VanDerWaalsContact O-N 3.08Å; P176-E179 HydrophobicContact CB-CB 4.31Å; P176-E179 HydrophobicContact CB-CG 4.14Å; P176-E179 HydrophobicContact CG-CB 4.48Å; P176-E179 HydrophobicContact CG-CG 4.22Å; P176-E179 PolarHBondContact O-N 3.2Å; P176-E218 HydrophobicContact CG-CB 4.24Å
177E85.8Confident93.2Very high155 Ų15542.7 Ų42.772%0.72421%0.212SC*.THydrogen-bonded Turntrans-61.2-21.3-176.1-73.6-176.3-161.800113.5R180E177-R180 VanDerWaalsContact O-CZ 3.3Å; E177-R180 PolarHBondContact O-NH1 3.27Å; E177-R180 PolarHBondContact O-NH2 3.37Å
178E88.4Confident93.5Very high159 Ų15942.6 Ų42.674%0.74321%0.212SC*.THydrogen-bonded Turntrans-91.1-13.9178.1-5579-173.900113.1P176P176-E178 PolarHBondContact O-N 3.26Å; P176-E178 VanDerWaalsContact O-N 3.08Å
179E92.1Very high93.9Very high64 Ų6441 Ų4130%0.29920%0.203SC..  trans-100.8154.4-175.9-69.2-173.3-159.200112.6I175 P176 M219I175-E179 WeakPolarHBondContact CD1-O 3.24Å; P176-E179 HydrophobicContact CB-CB 4.31Å; P176-E179 HydrophobicContact CB-CG 4.14Å; P176-E179 HydrophobicContact CG-CB 4.48Å; P176-E179 HydrophobicContact CG-CG 4.22Å; P176-E179 PolarHBondContact O-N 3.2Å; E179-M219 HydrophobicContact CB-CE 4.17Å; E179-M219 WeakPolarHBondContact OE2-CE 3.33Å
180R93.3Very high94.2Very high123 Ų12340.7 Ų40.746%0.46420%0.202SC..  trans-140.7134.7-177.1-59.3-68.7176.6-92.8-3.3110.6Q157 E177 S182Q157-R180 HydrophobicContact CG-CB 4.08Å; Q157-R180 HydrophobicContact CG-CG 4.48Å; E177-R180 VanDerWaalsContact O-CZ 3.3Å; E177-R180 PolarHBondContact O-NH1 3.27Å; E177-R180 PolarHBondContact O-NH2 3.37Å; R180-S182 PolarHBondContact O-N 3.39Å; R180-S182 PolarHBondContact O-OG 2.93Å
181V95.6Very high94.4Very high2 Ų240.8 Ų40.81%0.01220%0.202CC..  trans-68.7116.6166.4179.20000107.9F154 Q157 Y173 I175 F183 L191 M219 I339 L341F154-V181 HydrophobicContact CD1-CB 4.21Å; F154-V181 HydrophobicContact CD1-CG1 4.24Å; F154-V181 HydrophobicContact CE1-CB 3.72Å; F154-V181 HydrophobicContact CE1-CG1 3.69Å; F154-V181 HydrophobicContact CE1-CG2 4.08Å; F154-V181 HydrophobicContact CZ-CG1 4.07Å; Q157-V181 WeakPolarHBondContact CB-O 3.42Å; Y173-V181 HydrophobicContact CE2-CG2 4.36Å; I175-V181 HydrophobicContact CD1-CG2 4.25Å; I175-V181 HydrophobicContact CG2-CG2 4.5Å; V181-F183 HydrophobicContact CG1-CE1 4.36Å; V181-F183 HydrophobicContact CG1-CE2 3.72Å; V181-F183 HydrophobicContact CG1-CZ 3.65Å; V181-L191 HydrophobicContact CG1-CD2 4Å; V181-M219 HydrophobicContact CG2-SD 3.89Å; V181-I339 HydrophobicContact CG1-CD1 3.71Å; V181-L341 HydrophobicContact CG2-CD2 4.24Å
182S95.9Very high94.5Very high40 Ų4040.8 Ų40.828%0.2820%0.202SC..  trans-119.3127.3-173.8-590000111.4Q157 R180Q157-S182 WeakPolarHBondContact O-CA 3.42Å; R180-S182 PolarHBondContact O-N 3.39Å; R180-S182 PolarHBondContact O-OG 2.93Å
183F97.2Very high94.5Very high0 Ų040.9 Ų40.90%020%0.202CC..BIsolated β-bridgetrans-106.367.3176.6-58.7-75.2000109.8F154 Q157 M158 K159 L163 V181 T189 L191 Y265 I339F154-F183 HydrophobicContact CB-CD2 4.37Å; F154-F183 HydrophobicContact CB-CE2 3.93Å; F154-F183 AromaticContact CD1-CE2 3.93Å; F154-F183 HydrophobicContact CD1-CE2 3.93Å; F154-F183 AromaticContact CD2-CE2 3.49Å; F154-F183 HydrophobicContact CD2-CE2 3.49Å; F154-F183 VanDerWaalsContact CD2-CE2 3.49Å; F154-F183 AromaticContact CD2-CZ 3.93Å; F154-F183 HydrophobicContact CD2-CZ 3.93Å; F154-F183 HydrophobicContact CE1-CE2 4.27Å; F154-F183 AromaticContact CE2-CE2 3.88Å; F154-F183 HydrophobicContact CE2-CE2 3.88Å; F154-F183 AromaticContact CE2-CZ 3.87Å; F154-F183 HydrophobicContact CE2-CZ 3.87Å; F154-F183 HydrophobicContact CG-CD2 4.42Å; F154-F183 AromaticContact CG-CE2 3.54Å; F154-F183 HydrophobicContact CG-CE2 3.54Å; F154-F183 HydrophobicContact CG-CZ 4.36Å; F154-F183 HydrophobicContact CZ-CE2 4.26Å; F154-F183 HydrophobicContact CZ-CZ 4.24Å; Q157-F183 PolarHBondContact O-N 3.3Å; M158-F183 HydrophobicContact CB-CB 4.09Å; M158-F183 HydrophobicContact CB-CD2 4.1Å; M158-F183 HydrophobicContact CG-CB 3.97Å; M158-F183 HydrophobicContact CG-CD2 4.36Å; M158-F183 HydrophobicContact SD-CD2 4.48Å; K159-F183 PolarHBondContact N-O 2.74Å; L163-F183 HydrophobicContact CD1-CE1 4.27Å; L163-F183 HydrophobicContact CD1-CE2 4.31Å; L163-F183 HydrophobicContact CD1-CZ 3.88Å; V181-F183 HydrophobicContact CG1-CE1 4.36Å; V181-F183 HydrophobicContact CG1-CE2 3.72Å; V181-F183 HydrophobicContact CG1-CZ 3.65Å; F183-T189 HydrophobicContact CD1-CG2 3.84Å; F183-T189 HydrophobicContact CE1-CG2 4.06Å; F183-L191 HydrophobicContact CE1-CD2 4.3Å; F183-L191 HydrophobicContact CZ-CD2 4.16Å; F183-Y265 HydrophobicContact CB-CD1 3.95Å; F183-Y265 HydrophobicContact CB-CD2 3.88Å; F183-Y265 HydrophobicContact CB-CE1 4.19Å; F183-Y265 HydrophobicContact CB-CE2 4.12Å; F183-Y265 HydrophobicContact CB-CG 3.78Å; F183-Y265 HydrophobicContact CD1-CD1 4.13Å; F183-Y265 HydrophobicContact CD1-CD2 4.38Å; F183-Y265 AromaticContact CD1-CG 3.7Å; F183-Y265 HydrophobicContact CD1-CG 3.7Å; F183-Y265 HydrophobicContact CG-CD1 4.44Å; F183-Y265 HydrophobicContact CG-CD2 4.21Å; F183-Y265 AromaticContact CG-CG 3.94Å; F183-Y265 HydrophobicContact CG-CG 3.94Å; F183-I339 HydrophobicContact CE1-CD1 4.5Å
184D95.3Very high94.4Very high68 Ų6841.4 Ų41.436%0.36421%0.206SC..  trans-112.7-9.5-173.575.9-29.6000114K159K159-D184 PolarHBondContact NZ-O 2.75Å
185K95.4Very high94.4Very high90 Ų9041.5 Ų41.539%0.39121%0.207SC..SBendtrans-83.6149.7-179.5-56.7-55.6178.3-1670112.2N337K185-N337 HydrophobicContact CB-CB 4.48Å; K185-N337 WeakPolarHBondContact CB-ND2 3.38Å
186P95.8Very high94.3Very high77 Ų7741 Ų4150%0.521%0.206SC..SBendtrans-72.8158.717431.9-35.4000111.6D267 N337P186-D267 WeakPolarHBondContact CA-OD2 3.12Å; P186-N337 PolarHBondContact O-ND2 2.89Å; P186-N337 VanDerWaalsContact O-ND2 3.08Å
187G96.7Very high94.6Very high2 Ų240.4 Ų40.42%0.02120%0.201CC..SBendtrans80.6-132.4179.700000112.6D267G187-D267 VanDerWaalsContact N-CG 3.32Å; G187-D267 PolarHBondContact N-OD2 2.87Å; G187-D267 PolarHBondContact O-N 2.79Å
188F98Very high94.9Very high0 Ų036.7 Ų36.70%019%0.192CC..EExtended strand (participates in β ladder)trans-104.1144.3178.2-72-110.2000111Y264 Y265 M266 T270 L274 F294 L295 L298 L331 T334 P335 L336 N337F188-Y264 AromaticContact CD1-CD2 3.63Å; F188-Y264 HydrophobicContact CD1-CD2 3.63Å; F188-Y264 AromaticContact CD1-CE2 3.94Å; F188-Y264 HydrophobicContact CD1-CE2 3.94Å; F188-Y264 HydrophobicContact CD1-CG 4.39Å; F188-Y264 AromaticContact CE1-CD2 3.89Å; F188-Y264 HydrophobicContact CE1-CD2 3.89Å; F188-Y264 AromaticContact CE1-CE2 3.68Å; F188-Y264 HydrophobicContact CE1-CE2 3.68Å; F188-Y265 CarbonylContact C-O 3.48Å; F188-Y265 VanDerWaalsContact CA-O 3.25Å; F188-Y265 WeakPolarHBondContact CA-O 3.16Å; F188-M266 HydrophobicContact CD1-CG 3.54Å; F188-M266 HydrophobicContact CD1-SD 4.31Å; F188-M266 HydrophobicContact CE1-CG 3.25Å; F188-M266 HydrophobicContact CE1-SD 3.4Å; F188-M266 WeakPolarHBondContact CE1-SD 3.24Å; F188-M266 HydrophobicContact CE2-CG 4.4Å; F188-M266 HydrophobicContact CG-CG 4.24Å; F188-M266 HydrophobicContact CZ-CG 3.72Å; F188-M266 HydrophobicContact CZ-SD 3.53Å; F188-M266 VanDerWaalsContact CZ-SD 3.53Å; F188-T270 HydrophobicContact CD2-CG2 3.97Å; F188-T270 HydrophobicContact CE2-CG2 3.34Å; F188-T270 HydrophobicContact CZ-CG2 4.06Å; F188-L274 HydrophobicContact CZ-CD1 4.41Å; F188-F294 HydrophobicContact CE1-CB 4.2Å; F188-F294 HydrophobicContact CZ-CB 4.15Å; F188-L295 HydrophobicContact CD1-CD2 3.68Å; F188-L295 HydrophobicContact CE1-CD2 4.13Å; F188-L295 HydrophobicContact CG-CD2 4.37Å; F188-L298 HydrophobicContact CB-CD1 3.78Å; F188-L298 HydrophobicContact CD1-CD1 3.93Å; F188-L298 HydrophobicContact CD2-CD1 3.32Å; F188-L298 HydrophobicContact CD2-CD2 3.94Å; F188-L298 HydrophobicContact CD2-CG 4.28Å; F188-L298 HydrophobicContact CE1-CD1 4.32Å; F188-L298 HydrophobicContact CE2-CD1 3.77Å; F188-L298 HydrophobicContact CE2-CD2 4Å; F188-L298 HydrophobicContact CE2-CG 4.47Å; F188-L298 HydrophobicContact CG-CD1 3.41Å; F188-L298 VanDerWaalsContact CG-CD1 3.41Å; F188-L298 HydrophobicContact CZ-CD1 4.26Å; F188-L331 HydrophobicContact CE2-CD2 4.07Å; F188-L331 HydrophobicContact CZ-CD2 4.44Å; F188-T334 HydrophobicContact CD2-CG2 4.11Å; F188-T334 HydrophobicContact CE2-CG2 4.43Å; F188-P335 PolarHBondContact N-O 3.28Å; F188-L336 HydrophobicContact CB-CD1 3.96Å; F188-N337 PolarHBondContact O-N 3.37Å; F188-N337 PolarHBondContact O-ND2 2.98Å
189T98.1Very high95.1Very high1 Ų131 Ų311%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-130.3110.1168-59.70000108.9F183 Y264 Y265 N337 I339F183-T189 HydrophobicContact CD1-CG2 3.84Å; F183-T189 HydrophobicContact CE1-CG2 4.06Å; T189-Y264 CarbonylContact O-C 3.53Å; T189-Y264 WeakPolarHBondContact O-CA 3.43Å; T189-Y265 PolarHBondContact N-O 2.79Å; T189-Y265 PolarHBondContact O-N 2.9Å; T189-N337 CarbonylContact C-O 3.48Å; T189-N337 VanDerWaalsContact CA-O 3.29Å; T189-N337 WeakPolarHBondContact CA-O 3.42Å; T189-N337 HydrophobicContact CG2-CB 4.25Å; T189-I339 HydrophobicContact CG2-CD1 3.69Å; T189-I339 HydrophobicContact CG2-CG1 3.84Å
190A97.6Very high95.1Very high1 Ų127.9 Ų27.91%0.00815%0.153CC..EExtended strand (participates in β ladder)trans-98.3150.2-179.200000112F206 L336 N337 V338 I339A190-F206 HydrophobicContact CB-CE1 3.82Å; A190-F206 HydrophobicContact CB-CE2 4.48Å; A190-F206 HydrophobicContact CB-CZ 3.48Å; A190-F206 VanDerWaalsContact CB-CZ 3.48Å; A190-L336 HydrophobicContact CB-CD1 4.32Å; A190-N337 PolarHBondContact N-O 3.36Å; A190-V338 WeakPolarHBondContact O-CA 3.34Å; A190-I339 PolarHBondContact O-N 2.93Å
191L97.4Very high95.2Very high1 Ų124.7 Ų24.71%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-90.6139.3167.1-56.2-172.5000109.3F154 V181 F183 T263 I339 L341F154-L191 HydrophobicContact CE2-CD1 4.02Å; F154-L191 HydrophobicContact CZ-CD1 3.77Å; V181-L191 HydrophobicContact CG1-CD2 4Å; F183-L191 HydrophobicContact CE1-CD2 4.3Å; F183-L191 HydrophobicContact CZ-CD2 4.16Å; L191-T263 HydrophobicContact CB-CG2 4.09Å; L191-T263 HydrophobicContact CD1-CG2 3.39Å; L191-T263 HydrophobicContact CG-CG2 3.76Å; L191-T263 PolarHBondContact N-O 3.13Å; L191-I339 HydrophobicContact CD2-CB 3.88Å; L191-I339 HydrophobicContact CD2-CD1 4.15Å; L191-I339 HydrophobicContact CD2-CG1 4.45Å; L191-I339 HydrophobicContact CD2-CG2 4.35Å; L191-L341 HydrophobicContact CB-CD1 4.13Å; L191-L341 HydrophobicContact CD1-CD1 4Å; L191-L341 HydrophobicContact CD2-CD1 4.37Å; L191-L341 HydrophobicContact CG-CD1 4.39Å
192A96.3Very high95Very high0 Ų028.3 Ų28.30%017%0.17CC..EExtended strand (participates in β ladder)trans-129.5139-177.300000112.5F206 Y259 T260 V338 I339 L340 L341A192-F206 HydrophobicContact CB-CD2 3.58Å; A192-F206 HydrophobicContact CB-CE2 3.63Å; A192-Y259 HydrophobicContact CB-CD1 4.21Å; A192-T260 CarbonylContact C-O 3.59Å; A192-T260 VanDerWaalsContact CA-O 3.25Å; A192-T260 WeakPolarHBondContact CA-O 3.45Å; A192-V338 HydrophobicContact CB-CG1 3.41Å; A192-V338 VanDerWaalsContact CB-CG1 3.41Å; A192-I339 PolarHBondContact N-O 2.93Å; A192-L340 HydrophobicContact CB-CD2 3.77Å; A192-L341 PolarHBondContact O-N 3.4Å
193H94.4Very high94.8Very high2 Ų228.2 Ų28.21%0.00917%0.165CC..EExtended strand (participates in β ladder)trans-123.2132.6-171.4-57.5-84.8000110.8S195 Y259 T260 S262 S344H193-S195 PolarHBondContact O-N 2.88Å; H193-Y259 CarbonylContact O-C 3.55Å; H193-Y259 WeakPolarHBondContact O-CA 3.37Å; H193-T260 PolarHBondContact N-O 3.18Å; H193-T260 PolarHBondContact O-N 3.45Å; H193-T260 PolarHBondContact O-OG1 3.02Å; H193-S262 PolarHBondContact CD2-OG 3.01Å; H193-S262 VanDerWaalsContact CD2-OG 3.27Å; H193-S262 WeakPolarHBondContact NE2-CB 3.32Å; H193-S262 PolarHBondContact NE2-OG 3.45Å; H193-S344 VanDerWaalsContact ND1-CB 3.27Å; H193-S344 WeakPolarHBondContact ND1-CB 3.45Å; H193-S344 PolarHBondContact ND1-OG 3.19Å
194P93.3Very high94.7Very high12 Ų1228.2 Ų28.28%0.07817%0.165CC..EExtended strand (participates in β ladder)trans-64.4125170.428.2-32.8000109.5F250 F257 Y259 L341P194-F250 HydrophobicContact CB-CD1 3.8Å; P194-F250 HydrophobicContact CB-CE1 3.93Å; P194-F250 HydrophobicContact CB-CG 4.11Å; P194-F250 HydrophobicContact CB-CZ 4.39Å; P194-F250 HydrophobicContact CG-CD1 3.58Å; P194-F250 HydrophobicContact CG-CE1 3.82Å; P194-F250 HydrophobicContact CG-CG 4.28Å; P194-F257 HydrophobicContact CB-CD2 3.69Å; P194-F257 HydrophobicContact CB-CE2 3.96Å; P194-Y259 HydrophobicContact CB-CE1 4.5Å; P194-L341 WeakPolarHBondContact CD-O 3.31Å
195S92.6Very high94.8Very high8 Ų825 Ų256%0.05615%0.148CC..EExtended strand (participates in β ladder)trans-140.4154.5-174.7-77.70000112.2H193 F257 V258 T260H193-S195 PolarHBondContact O-N 2.88Å; S195-F257 WeakPolarHBondContact O-CA 3.31Å; S195-F257 WeakPolarHBondContact O-CB 3.47Å; S195-V258 PolarHBondContact N-O 3.22Å; S195-V258 PolarHBondContact O-N 3Å; S195-T260 WeakPolarHBondContact CB-OG1 3.27Å; S195-T260 PolarHBondContact OG-OG1 3.24Å
196P92.2Very high95Very high24 Ų2420.8 Ų20.816%0.15613%0.129CC..  trans-63.4154.5171.513.4-9.7000110.5S198 V199 G200 M252P196-S198 PolarHBondContact O-N 3.4Å; P196-V199 HydrophobicContact CG-CB 4.29Å; P196-V199 HydrophobicContact CG-CG2 3.76Å; P196-V199 PolarHBondContact O-N 3.22Å; P196-G200 PolarHBondContact O-N 3.4Å; P196-M252 HydrophobicContact CB-CE 3.65Å; P196-M252 WeakPolarHBondContact CD-SD 3.48Å; P196-M252 HydrophobicContact CG-CE 3.29Å; P196-M252 HydrophobicContact CG-SD 4.2Å
197L94.6Very high95Very high20 Ų2017.3 Ų17.311%0.10511%0.107CC..Hα-helixtrans-59.6-31.6178.8-67.985.9000111.8V199 G200 T201 I233 M236 V242 E256 V258L197-V199 PolarHBondContact O-N 3.31Å; L197-G200 WeakPolarHBondContact O-CA 3.23Å; L197-G200 PolarHBondContact O-N 3.26Å; L197-G200 VanDerWaalsContact O-N 3.13Å; L197-T201 PolarHBondContact O-N 2.96Å; L197-I233 HydrophobicContact CB-CD1 4.26Å; L197-I233 HydrophobicContact CB-CG1 4.23Å; L197-I233 HydrophobicContact CD2-CG2 3.83Å; L197-M236 WeakPolarHBondContact O-CE 3.4Å; L197-V242 HydrophobicContact CD2-CG1 4.28Å; L197-V242 HydrophobicContact CD2-CG2 3.91Å; L197-E256 HydrophobicContact CD1-CB 3.68Å; L197-E256 WeakPolarHBondContact CD1-O 3.25Å; L197-V258 HydrophobicContact CG-CG1 4.49Å
198S93.3Very high94.9Very high76 Ų7618.1 Ų18.153%0.53111%0.111SC..Hα-helixtrans-59.8-43.9175.254.10000112.3P196 G200 T201P196-S198 PolarHBondContact O-N 3.4Å; S198-G200 VanDerWaalsContact C-N 3.3Å; S198-G200 PolarHBondContact O-N 2.62Å; S198-T201 PolarHBondContact O-N 2.87Å; S198-T201 VanDerWaalsContact O-N 3.13Å; S198-T201 PolarHBondContact O-OG1 3.38Å
199V91.4Very high94.5Very high39 Ų3922 Ų2224%0.23613%0.129CC..Hα-helixtrans-63.8-39173.91730000110.4P196 L197 T201 T202 H203 T260P196-V199 HydrophobicContact CG-CB 4.29Å; P196-V199 HydrophobicContact CG-CG2 3.76Å; P196-V199 PolarHBondContact O-N 3.22Å; L197-V199 PolarHBondContact O-N 3.31Å; V199-T201 PolarHBondContact O-N 3.48Å; V199-T201 VanDerWaalsContact O-N 3.12Å; V199-T202 PolarHBondContact O-N 2.97Å; V199-T202 PolarHBondContact O-OG1 3Å; V199-H203 PolarHBondContact O-N 2.67Å; V199-H203 PolarHBondContact O-ND1 2.88Å; V199-H203 VanDerWaalsContact O-ND1 3.14Å; V199-T260 HydrophobicContact CG1-CG2 4.31Å
200G94Very high93.8Very high0 Ų027.8 Ų27.80%017%0.166CC..Hα-helixtrans-55.9-26.3173.500000114.4P196 L197 S198 T202 H203 P231 M236P196-G200 PolarHBondContact O-N 3.4Å; L197-G200 WeakPolarHBondContact O-CA 3.23Å; L197-G200 PolarHBondContact O-N 3.26Å; L197-G200 VanDerWaalsContact O-N 3.13Å; S198-G200 VanDerWaalsContact C-N 3.3Å; S198-G200 PolarHBondContact O-N 2.62Å; G200-T202 VanDerWaalsContact C-N 3.25Å; G200-T202 PolarHBondContact O-N 3.47Å; G200-H203 VanDerWaalsContact O-O 3.08Å; G200-P231 WeakPolarHBondContact O-CD 3.45Å; G200-M236 VanDerWaalsContact C-CE 3.46Å
201T94.4Very high92.6Very high55 Ų5533.4 Ų33.434%0.33719%0.187SC..THydrogen-bonded Turntrans-73-16.9176.968.50000114.4L197 S198 V199 P231 I233 M236L197-T201 PolarHBondContact O-N 2.96Å; S198-T201 PolarHBondContact O-N 2.87Å; S198-T201 VanDerWaalsContact O-N 3.13Å; S198-T201 PolarHBondContact O-OG1 3.38Å; V199-T201 PolarHBondContact O-N 3.48Å; V199-T201 VanDerWaalsContact O-N 3.12Å; T201-P231 WeakPolarHBondContact CA-O 3.1Å; T201-I233 HydrophobicContact CG2-CG1 3.87Å; T201-M236 HydrophobicContact CG2-CE 3.69Å
202T90.9Very high91.2Very high78 Ų7843.1 Ų43.148%0.47923%0.233SC..THydrogen-bonded Turntrans-114-8.2-176.754.40000113.1V199 G200 K230V199-T202 PolarHBondContact O-N 2.97Å; V199-T202 PolarHBondContact O-OG1 3Å; G200-T202 VanDerWaalsContact C-N 3.25Å; G200-T202 PolarHBondContact O-N 3.47Å; T202-K230 VanDerWaalsContact O-CE 3.29Å; T202-K230 WeakPolarHBondContact O-CE 3.36Å; T202-K230 WeakPolarHBondContact O-CG 3.33Å
203H92.4Very high89.8Confident38 Ų3846 Ų4618%0.17624%0.244CC..SBendtrans-124.3174.1-178.2-65.275.5000111.3V199 G200 K230 T260 F346V199-H203 PolarHBondContact O-N 2.67Å; V199-H203 PolarHBondContact O-ND1 2.88Å; V199-H203 VanDerWaalsContact O-ND1 3.14Å; G200-H203 VanDerWaalsContact O-O 3.08Å; H203-K230 VanDerWaalsContact O-CA 3.26Å; H203-K230 WeakPolarHBondContact O-CA 3.46Å; H203-K230 PolarHBondContact O-N 3.1Å; H203-T260 HydrophobicContact CB-CG2 4.27Å; H203-F346 AromaticContact CD2-CE1 3.82Å; H203-F346 AromaticContact CD2-CZ 3.84Å; H203-F346 AromaticContact CE1-CE1 3.91Å; H203-F346 AromaticContact NE2-CE1 3.19Å; H203-F346 WeakPolarHBondContact NE2-CE1 3.44Å; H203-F346 AromaticContact NE2-CZ 3.47Å; H203-F346 WeakPolarHBondContact NE2-CZ 3.21Å
204G95.2Very high88.2Confident1 Ų152.1 Ų52.11%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-71.2149.2167.100000112.3F227 L228 T260 D261G204-F227 VanDerWaalsContact CA-CE2 3.49Å; G204-L228 CarbonylContact C-O 3.59Å; G204-L228 VanDerWaalsContact CA-O 3.27Å; G204-L228 WeakPolarHBondContact CA-O 3.4Å; G204-T260 WeakPolarHBondContact O-CA 3.22Å; G204-T260 WeakPolarHBondContact O-CB 3.44Å; G204-D261 WeakPolarHBondContact CA-OD1 3.39Å; G204-D261 PolarHBondContact N-OD1 3.3Å; G204-D261 PolarHBondContact O-N 3.06Å
205V97.8Very high87.2Confident0 Ų055.6 Ų55.60%031%0.311CS..EExtended strand (participates in β ladder)trans-129.8127.9178.9176.10000109.7L228 P231 M236 A241 V258 Y259 T260V205-L228 HydrophobicContact CB-CB 4.38Å; V205-L228 PolarHBondContact N-O 2.89Å; V205-L228 PolarHBondContact O-N 2.92Å; V205-P231 HydrophobicContact CB-CG 4.1Å; V205-P231 HydrophobicContact CG2-CG 3.83Å; V205-M236 HydrophobicContact CG2-CG 4.46Å; V205-M236 HydrophobicContact CG2-SD 4.24Å; V205-A241 HydrophobicContact CG1-CB 3.64Å; V205-V258 HydrophobicContact CG1-CB 3.92Å; V205-V258 HydrophobicContact CG1-CG1 4.19Å; V205-V258 HydrophobicContact CG1-CG2 4.49Å; V205-V258 HydrophobicContact CG2-CG2 4.22Å; V205-Y259 WeakPolarHBondContact CA-O 3.35Å; V205-T260 HydrophobicContact CG2-CG2 4.31Å
206F97.9Very high86.4Confident1 Ų157.4 Ų57.40%0.00432%0.317CS..EExtended strand (participates in β ladder)trans-84128.8175.5-60.8-74.8000111.3A190 A192 L208 F227 Y259 D261 L336 V338A190-F206 HydrophobicContact CB-CE1 3.82Å; A190-F206 HydrophobicContact CB-CE2 4.48Å; A190-F206 HydrophobicContact CB-CZ 3.48Å; A190-F206 VanDerWaalsContact CB-CZ 3.48Å; A192-F206 HydrophobicContact CB-CD2 3.58Å; A192-F206 HydrophobicContact CB-CE2 3.63Å; F206-L208 HydrophobicContact CB-CD2 3.88Å; F206-L208 HydrophobicContact CB-CG 4.46Å; F206-F227 AromaticContact CD1-CD2 3.79Å; F206-F227 HydrophobicContact CD1-CD2 3.79Å; F206-F227 AromaticContact CE1-CD2 3.63Å; F206-F227 HydrophobicContact CE1-CD2 3.63Å; F206-F227 HydrophobicContact CE1-CE2 4.09Å; F206-F227 HydrophobicContact CG-CD2 4.47Å; F206-F227 HydrophobicContact CZ-CD2 4.2Å; F206-F227 HydrophobicContact CZ-CE2 4.2Å; F206-Y259 WeakPolarHBondContact CD2-O 3.36Å; F206-Y259 PolarHBondContact N-O 3.28Å; F206-D261 HydrophobicContact CE2-CB 3.75Å; F206-D261 HydrophobicContact CZ-CB 3.73Å; F206-L336 HydrophobicContact CD1-CD2 4.49Å; F206-L336 HydrophobicContact CE1-CD2 4.43Å; F206-V338 HydrophobicContact CD1-CG1 4.44Å; F206-V338 HydrophobicContact CD1-CG2 3.82Å; F206-V338 HydrophobicContact CD2-CG1 4.19Å; F206-V338 HydrophobicContact CE1-CG2 4.05Å; F206-V338 HydrophobicContact CE2-CG1 4.32Å; F206-V338 HydrophobicContact CG-CG1 4.25Å; F206-V338 HydrophobicContact CG-CG2 4.31Å
207V97.1Very high86.1Confident4 Ų458.6 Ų58.62%0.02433%0.325CS..EExtended strand (participates in β ladder)trans-91.6109.8165.8-173.90000107.5C224 L225 C226 L228 S239 A241V207-C224 PolarHBondContact O-SG 3.4Å; V207-C224 VanDerWaalsContact O-SG 3.35Å; V207-L225 HydrophobicContact CB-CB 4.47Å; V207-L225 HydrophobicContact CG1-CB 4.23Å; V207-L225 HydrophobicContact CG1-CD1 4.25Å; V207-L225 PolarHBondContact O-N 3.04Å; V207-C226 WeakPolarHBondContact CB-O 3.33Å; V207-C226 PolarHBondContact N-O 2.83Å; V207-L228 HydrophobicContact CG2-CD1 3.88Å; V207-L228 HydrophobicContact CG2-CD2 4.45Å; V207-L228 HydrophobicContact CG2-CG 3.9Å; V207-S239 WeakPolarHBondContact CG1-O 3.46Å; V207-A241 HydrophobicContact CG2-CB 4.18Å
208L94.7Very high85.8Confident20 Ų2059.8 Ų59.811%0.10533%0.33CS..EExtended strand (participates in β ladder)trans-92.2158.4-176.7-55.5-179.6000111.6F206 A222 C224 Y259 L340F206-L208 HydrophobicContact CB-CD2 3.88Å; F206-L208 HydrophobicContact CB-CG 4.46Å; L208-A222 HydrophobicContact CD1-CB 4.38Å; L208-A222 HydrophobicContact CD2-CB 4.21Å; L208-C224 HydrophobicContact CD2-CB 4.38Å; L208-Y259 HydrophobicContact CD1-CD2 3.49Å; L208-Y259 VanDerWaalsContact CD1-CD2 3.49Å; L208-Y259 HydrophobicContact CD1-CE2 3.79Å; L208-Y259 HydrophobicContact CD1-CG 4.17Å; L208-Y259 HydrophobicContact CG-CD2 4.47Å; L208-L340 HydrophobicContact CD1-CD1 3.69Å; L208-L340 HydrophobicContact CD1-CD2 3.74Å; L208-L340 HydrophobicContact CD1-CG 4.39Å; L208-L340 HydrophobicContact CD2-CD2 4.3Å
209E89.5Confident85.8Confident80 Ų8056.9 Ų56.937%0.37431%0.308SS..PPolyproline II helixtrans-63.8134.3169.2-76.8-178.9173.500111.1R211 S223 L225E209-R211 PolarHBondContact O-N 3.14Å; E209-S223 VanDerWaalsContact CD-CB 3.41Å; E209-S223 PolarHBondContact N-O 2.82Å; E209-S223 VanDerWaalsContact N-O 3.11Å; E209-S223 VanDerWaalsContact OE2-CB 3.25Å; E209-S223 WeakPolarHBondContact OE2-CB 3.46Å; E209-S223 PolarHBondContact OE2-OG 3.12Å; E209-L225 HydrophobicContact CG-CD1 4.49Å; E209-L225 HydrophobicContact CG-CD2 3.62Å; E209-L225 HydrophobicContact CG-CG 3.85Å
210P82.2Confident85.8Confident123 Ų12356.7 Ų56.780%0.79931%0.305SS*.PPolyproline II helixtrans-57.8134.6176.1-23.532.9000111.4
211R72.8Confident85.8Confident119 Ų11961.1 Ų61.145%0.44933%0.329SS..  trans-139.1137.9173.2-66.8-174.3179.2174.20.7109.5E209 R213 N221E209-R211 PolarHBondContact O-N 3.14Å; R211-R213 HydrophobicContact CB-CG 4.38Å; R211-R213 PolarHBondContact O-N 3.11Å; R211-N221 PolarHBondContact NH1-O 3.21Å
212E67.6Low85.7Confident205 Ų20559 Ų5996%0.95832%0.317SS*.  trans-69.2122.1165.1-69.3-176.8176.900108.3
213R67.1Low85.5Confident61 Ų6157.6 Ų57.623%0.2331%0.31CS..  trans-119.2123.7-174.8-65.3-177.9-175-145.1-3110.4R211 Y216 E220R211-R213 HydrophobicContact CB-CG 4.38Å; R211-R213 PolarHBondContact O-N 3.11Å; R213-Y216 HydrophobicContact CB-CE2 4.39Å; R213-E220 IonicContact CZ-OE1 2.7Å; R213-E220 IonicContact NH1-OE1 3.15Å; R213-E220 PolarHBondContact NH1-OE1 3.17Å; R213-E220 IonicContact NH2-OE1 2.77Å
214S60.8Low85.6Confident130 Ų13056.1 Ų56.191%0.90930%0.304SS*.SBendtrans-96.3-22.6170.4550000112.8
215S72.1Confident85.6Confident85 Ų8557 Ų5759%0.59431%0.308SS*.  trans-150160.2174.965.10000111.1
216Y76.2Confident85.5Confident46 Ų4658 Ų5818%0.1831%0.314CS..  trans-115.1114.5168.4-61.8-113.1000108.6R213 L249 F250 F257R213-Y216 HydrophobicContact CB-CE2 4.39Å; Y216-L249 VanDerWaalsContact CB-CD2 3.47Å; Y216-L249 HydrophobicContact CD2-CD2 3.22Å; Y216-L249 HydrophobicContact CE2-CD2 4.16Å; Y216-L249 HydrophobicContact CG-CD2 3.59Å; Y216-F250 AromaticContact CD1-CZ 3.88Å; Y216-F250 HydrophobicContact CD1-CZ 3.88Å; Y216-F250 HydrophobicContact CE1-CZ 4.29Å; Y216-F250 HydrophobicContact CG-CZ 4.3Å; Y216-F257 HydrophobicContact CE1-CZ 4.28Å
217P86.9Confident85.5Confident50 Ų5058.1 Ų58.133%0.32532%0.315SS..  trans-67.5164.2171.231.3-36000110.4M219 E220 N342P217-M219 WeakPolarHBondContact CB-O 3.36Å; P217-M219 VanDerWaalsContact CG-O 3.29Å; P217-M219 WeakPolarHBondContact CG-O 3.4Å; P217-M219 PolarHBondContact O-N 3Å; P217-E220 HydrophobicContact CG-CB 3.81Å; P217-E220 HydrophobicContact CG-CG 4.28Å; P217-N342 WeakPolarHBondContact O-CB 3.34Å; P217-N342 PolarHBondContact O-ND2 3.35Å
218E88.4Confident85.5Confident44 Ų4458.8 Ų58.821%0.20632%0.319CS..SBendtrans-65.3-27.9176.7-74.8-170.7-12200112.7K11 S174 P176 N342 N343K11-E218 IonicContact NZ-OE1 2.82Å; K11-E218 PolarHBondContact NZ-OE1 3.02Å; K11-E218 IonicContact NZ-OE2 3.18Å; S174-E218 PolarHBondContact OG-OE2 3.31Å; S174-E218 VanDerWaalsContact OG-OE2 3.13Å; P176-E218 HydrophobicContact CG-CB 4.24Å; E218-N342 PolarHBondContact O-N 3.13Å; E218-N343 HydrophobicContact CB-CB 4.32Å; E218-N343 HydrophobicContact CG-CB 4.06Å; E218-N343 PolarHBondContact O-N 3.46Å; E218-N343 WeakPolarHBondContact OE2-CB 3.48Å; E218-N343 PolarHBondContact OE2-ND2 3.07Å
219M92.3Very high85.5Confident16 Ų1658.7 Ų58.78%0.07932%0.318CS..EExtended strand (participates in β ladder)trans-137.2142.9172.4-175.3-167.58000110.5I175 E179 V181 P217 I339 L340 L341I175-M219 HydrophobicContact CG2-CB 4.01Å; I175-M219 HydrophobicContact CG2-CG 4.37Å; I175-M219 HydrophobicContact CG2-SD 4.1Å; E179-M219 HydrophobicContact CB-CE 4.17Å; E179-M219 WeakPolarHBondContact OE2-CE 3.33Å; V181-M219 HydrophobicContact CG2-SD 3.89Å; P217-M219 WeakPolarHBondContact CB-O 3.36Å; P217-M219 VanDerWaalsContact CG-O 3.29Å; P217-M219 WeakPolarHBondContact CG-O 3.4Å; P217-M219 PolarHBondContact O-N 3Å; M219-I339 HydrophobicContact CG-CG2 3.68Å; M219-I339 HydrophobicContact SD-CG2 3.97Å; M219-L340 VanDerWaalsContact CA-O 3.26Å; M219-L340 WeakPolarHBondContact CA-O 3.34Å; M219-L341 HydrophobicContact CG-CD2 4.11Å
220E92.1Very high85.7Confident35 Ų3558.8 Ų58.816%0.16432%0.317CS..EExtended strand (participates in β ladder)trans-150.9156.3167.559.1176.3151.900113R213 P217 I339 L340R213-E220 IonicContact CZ-OE1 2.7Å; R213-E220 IonicContact NH1-OE1 3.15Å; R213-E220 PolarHBondContact NH1-OE1 3.17Å; R213-E220 IonicContact NH2-OE1 2.77Å; P217-E220 HydrophobicContact CG-CB 3.81Å; P217-E220 HydrophobicContact CG-CG 4.28Å; E220-I339 CarbonylContact O-C 3.55Å; E220-I339 WeakPolarHBondContact O-CA 3.35Å; E220-L340 HydrophobicContact CG-CB 3.82Å; E220-L340 HydrophobicContact CG-CD1 3.75Å; E220-L340 HydrophobicContact CG-CG 3.95Å; E220-L340 PolarHBondContact N-O 3.19Å; E220-L340 PolarHBondContact O-N 3.27Å; E220-L340 WeakPolarHBondContact OE1-CD1 3.27Å
221N92.8Very high86.4Confident93 Ų9353.5 Ų53.550%0.49728%0.282SS..EExtended strand (participates in β ladder)trans-92129.6170.6-71-77.2000110.4R211R211-N221 PolarHBondContact NH1-O 3.21Å
222A91.9Very high87.5Confident11 Ų1151 Ų519%0.09128%0.283CS..EExtended strand (participates in β ladder)trans-126.6148-179.600000112.3L208 V338 L340L208-A222 HydrophobicContact CD1-CB 4.38Å; L208-A222 HydrophobicContact CD2-CB 4.21Å; A222-V338 PolarHBondContact N-O 2.83Å; A222-V338 PolarHBondContact O-N 3.42Å; A222-L340 HydrophobicContact CB-CD1 3.84Å; A222-L340 HydrophobicContact CB-CD2 4.08Å; A222-L340 HydrophobicContact CB-CG 3.88Å
223S88.1Confident88.9Confident48 Ų4844.4 Ų44.434%0.33625%0.254SS..EExtended strand (participates in β ladder)trans-81.5134.3168.3-54.70000109.4E209E209-S223 VanDerWaalsContact CD-CB 3.41Å; E209-S223 PolarHBondContact N-O 2.82Å; E209-S223 VanDerWaalsContact N-O 3.11Å; E209-S223 VanDerWaalsContact OE2-CB 3.25Å; E209-S223 WeakPolarHBondContact OE2-CB 3.46Å; E209-S223 PolarHBondContact OE2-OG 3.12Å
224C94.6Very high90.4Very high6 Ų646.8 Ų46.84%0.04127%0.271CS..EExtended strand (participates in β ladder)trans-106.5130176.4-177.50000110.9V207 L208 C226 P300 L336 V338V207-C224 PolarHBondContact O-SG 3.4Å; V207-C224 VanDerWaalsContact O-SG 3.35Å; L208-C224 HydrophobicContact CD2-CB 4.38Å; C224-C226 VanDerWaalsContact SG-C 3.6Å; C224-C226 PolarHBondContact SG-O 3.39Å; C224-P300 WeakPolarHBondContact O-CD 3.5Å; C224-L336 HydrophobicContact CB-CD2 4.06Å; C224-L336 HydrophobicContact CB-CG 4.11Å; C224-V338 HydrophobicContact CB-CG2 3.52Å
225L95.1Very high92Very high21 Ų2145.2 Ų45.211%0.1125%0.248CC..EExtended strand (participates in β ladder)trans-77.2-45.9176.9-68.7176.3000111.5V207 E209 G299 P300 K301V207-L225 HydrophobicContact CB-CB 4.47Å; V207-L225 HydrophobicContact CG1-CB 4.23Å; V207-L225 HydrophobicContact CG1-CD1 4.25Å; V207-L225 PolarHBondContact O-N 3.04Å; E209-L225 HydrophobicContact CG-CD1 4.49Å; E209-L225 HydrophobicContact CG-CD2 3.62Å; E209-L225 HydrophobicContact CG-CG 3.85Å; L225-G299 CarbonylContact O-C 3.57Å; L225-G299 VanDerWaalsContact O-C 3.32Å; L225-G299 WeakPolarHBondContact O-CA 3.49Å; L225-P300 HydrophobicContact CD2-CG 4.03Å; L225-P300 VanDerWaalsContact O-CD 3.23Å; L225-P300 WeakPolarHBondContact O-CD 3.44Å; L225-K301 HydrophobicContact CB-CD 4.1Å; L225-K301 HydrophobicContact CB-CG 4.24Å; L225-K301 HydrophobicContact CD1-CD 4.28Å; L225-K301 WeakPolarHBondContact O-CB 3.42Å; L225-K301 PolarHBondContact O-N 3.4Å
226C95.6Very high93.3Very high19 Ų1941.2 Ų41.213%0.12822%0.22CC..EExtended strand (participates in β ladder)trans-165.1167.217458.30000110.7V207 C224 K301V207-C226 WeakPolarHBondContact CB-O 3.33Å; V207-C226 PolarHBondContact N-O 2.83Å; C224-C226 VanDerWaalsContact SG-C 3.6Å; C224-C226 PolarHBondContact SG-O 3.39Å; C226-K301 HydrophobicContact CB-CB 4.09Å
227F97.3Very high94.3Very high5 Ų543.8 Ų43.82%0.02223%0.229CC..EExtended strand (participates in β ladder)trans-111.1139.1175.5177.1-99.1000110.1G204 F206 H229 D261 Y291 L295 Q296 L336G204-F227 VanDerWaalsContact CA-CE2 3.49Å; F206-F227 AromaticContact CD1-CD2 3.79Å; F206-F227 HydrophobicContact CD1-CD2 3.79Å; F206-F227 AromaticContact CE1-CD2 3.63Å; F206-F227 HydrophobicContact CE1-CD2 3.63Å; F206-F227 HydrophobicContact CE1-CE2 4.09Å; F206-F227 HydrophobicContact CG-CD2 4.47Å; F206-F227 HydrophobicContact CZ-CD2 4.2Å; F206-F227 HydrophobicContact CZ-CE2 4.2Å; F227-H229 HydrophobicContact CE1-CB 3.99Å; F227-D261 HydrophobicContact CE2-CB 3.91Å; F227-D261 HydrophobicContact CZ-CB 4.43Å; F227-D261 WeakPolarHBondContact CZ-OD2 3.42Å; F227-Y291 WeakPolarHBondContact CE1-O 3.39Å; F227-L295 HydrophobicContact CB-CB 4.25Å; F227-L295 HydrophobicContact CD1-CB 3.61Å; F227-L295 HydrophobicContact CD2-CB 4.27Å; F227-L295 HydrophobicContact CD2-CD1 4.37Å; F227-L295 HydrophobicContact CE1-CB 3.87Å; F227-L295 HydrophobicContact CE1-CD1 4.41Å; F227-L295 HydrophobicContact CE2-CB 4.47Å; F227-L295 HydrophobicContact CE2-CD1 3.99Å; F227-L295 HydrophobicContact CG-CB 3.81Å; F227-L295 HydrophobicContact CZ-CB 4.26Å; F227-L295 HydrophobicContact CZ-CD1 3.98Å; F227-Q296 HydrophobicContact CD1-CB 4.43Å; F227-Q296 HydrophobicContact CD1-CG 3.58Å; F227-Q296 HydrophobicContact CE1-CG 4.15Å; F227-L336 HydrophobicContact CB-CD2 4.4Å
228L96.6Very high94.7Very high18 Ų1848 Ų489%0.09425%0.249CC..EExtended strand (participates in β ladder)trans-112123.6176.4-55175.4000108.6G204 V205 V207 P231G204-L228 CarbonylContact C-O 3.59Å; G204-L228 VanDerWaalsContact CA-O 3.27Å; G204-L228 WeakPolarHBondContact CA-O 3.4Å; V205-L228 HydrophobicContact CB-CB 4.38Å; V205-L228 PolarHBondContact N-O 2.89Å; V205-L228 PolarHBondContact O-N 2.92Å; V207-L228 HydrophobicContact CG2-CD1 3.88Å; V207-L228 HydrophobicContact CG2-CD2 4.45Å; V207-L228 HydrophobicContact CG2-CG 3.9Å; L228-P231 HydrophobicContact CB-CB 4Å; L228-P231 HydrophobicContact CB-CG 3.79Å; L228-P231 HydrophobicContact CD1-CB 4.22Å; L228-P231 HydrophobicContact CD1-CG 4.25Å
229H95.3Very high95.1Very high18 Ų1847.3 Ų47.38%0.08325%0.249CC..EExtended strand (participates in β ladder)trans-95.4115.8178.4-170.872.7000111.4F227 P231 D289 Q296F227-H229 HydrophobicContact CE1-CB 3.99Å; H229-P231 VanDerWaalsContact C-CD 3.49Å; H229-D289 IonicContact CE1-OD1 2.68Å; H229-Q296 VanDerWaalsContact CB-CD 3.49Å; H229-Q296 HydrophobicContact CB-CG 3.95Å; H229-Q296 VanDerWaalsContact CB-NE2 3.32Å
230K94.6Very high95.2Very high82 Ų8249.1 Ų49.136%0.35727%0.271SS..SBendtrans50.650.7179.6-56.2178-179.8152.10113.1T202 H203T202-K230 VanDerWaalsContact O-CE 3.29Å; T202-K230 WeakPolarHBondContact O-CE 3.36Å; T202-K230 WeakPolarHBondContact O-CG 3.33Å; H203-K230 VanDerWaalsContact O-CA 3.26Å; H203-K230 WeakPolarHBondContact O-CA 3.46Å; H203-K230 PolarHBondContact O-N 3.1Å
231P95.7Very high95.4Very high11 Ų1147.6 Ų47.67%0.07127%0.265CS..  trans-69.3156.4-177.329.9-36.6000112.5G200 T201 V205 L228 H229 K235 M236G200-P231 WeakPolarHBondContact O-CD 3.45Å; T201-P231 WeakPolarHBondContact CA-O 3.1Å; V205-P231 HydrophobicContact CB-CG 4.1Å; V205-P231 HydrophobicContact CG2-CG 3.83Å; L228-P231 HydrophobicContact CB-CB 4Å; L228-P231 HydrophobicContact CB-CG 3.79Å; L228-P231 HydrophobicContact CD1-CB 4.22Å; L228-P231 HydrophobicContact CD1-CG 4.25Å; H229-P231 VanDerWaalsContact C-CD 3.49Å; P231-K235 HydrophobicContact CB-CB 4.05Å; P231-K235 HydrophobicContact CB-CG 4Å; P231-M236 HydrophobicContact CB-CG 4.06Å; P231-M236 HydrophobicContact CG-CE 4.04Å; P231-M236 HydrophobicContact CG-CG 3.6Å; P231-M236 HydrophobicContact CG-SD 4.39Å; P231-M236 VanDerWaalsContact O-CE 3.29Å; P231-M236 WeakPolarHBondContact O-CE 3.15Å
232S96.3Very high95.5Very high67 Ų6744.8 Ų44.847%0.46925%0.251SS..  trans-67.4158.8161.266.40000110.8D234 K235 M236S232-D234 VanDerWaalsContact C-N 3.26Å; S232-D234 PolarHBondContact O-N 2.84Å; S232-K235 WeakPolarHBondContact O-CB 3.5Å; S232-K235 PolarHBondContact O-N 3.38Å; S232-K235 VanDerWaalsContact O-N 3.11Å; S232-K235 WeakPolarHBondContact OG-CB 3.05Å; S232-K235 PolarHBondContact OG-N 3.34Å; S232-M236 WeakPolarHBondContact O-CG 3.39Å; S232-M236 PolarHBondContact O-N 3.11Å
233I97.4Very high95.5Very high66 Ų6645.7 Ų45.734%0.33826%0.256SS..Hα-helixtrans-56.5-43.1175.4-67179.3000111L197 T201 K235 M236 R237L197-I233 HydrophobicContact CB-CD1 4.26Å; L197-I233 HydrophobicContact CB-CG1 4.23Å; L197-I233 HydrophobicContact CD2-CG2 3.83Å; T201-I233 HydrophobicContact CG2-CG1 3.87Å; I233-K235 VanDerWaalsContact C-N 3.31Å; I233-K235 PolarHBondContact O-N 3.15Å; I233-M236 HydrophobicContact CG1-CE 4.11Å; I233-M236 WeakPolarHBondContact O-CB 3.35Å; I233-M236 PolarHBondContact O-N 3.35Å; I233-M236 VanDerWaalsContact O-N 3.13Å; I233-R237 PolarHBondContact O-N 3.4Å; I233-R237 VanDerWaalsContact O-N 3.08Å
234D97.6Very high95.4Very high111 Ų11145.8 Ų45.859%0.59426%0.26SS*.Hα-helixtrans-59.5-44.1177.1-60.9-28.9000111.2S232 M236 R237 D238S232-D234 VanDerWaalsContact C-N 3.26Å; S232-D234 PolarHBondContact O-N 2.84Å; D234-M236 VanDerWaalsContact C-N 3.29Å; D234-M236 PolarHBondContact O-N 3.28Å; D234-R237 WeakPolarHBondContact O-CB 3.48Å; D234-R237 PolarHBondContact O-N 3Å; D234-R237 VanDerWaalsContact O-N 3.1Å; D234-D238 WeakPolarHBondContact O-CB 3.38Å; D234-D238 VanDerWaalsContact O-CG 3.27Å; D234-D238 PolarHBondContact O-N 2.95Å
235K96.3Very high94.6Very high98 Ų9846.2 Ų46.243%0.42626%0.262SS..Hα-helixtrans-62.7-36.3177.1-176.962.2178.6-177.80112.3P231 S232 I233 S239P231-K235 HydrophobicContact CB-CB 4.05Å; P231-K235 HydrophobicContact CB-CG 4Å; S232-K235 WeakPolarHBondContact O-CB 3.5Å; S232-K235 PolarHBondContact O-N 3.38Å; S232-K235 VanDerWaalsContact O-N 3.11Å; S232-K235 WeakPolarHBondContact OG-CB 3.05Å; S232-K235 PolarHBondContact OG-N 3.34Å; I233-K235 VanDerWaalsContact C-N 3.31Å; I233-K235 PolarHBondContact O-N 3.15Å; K235-S239 VanDerWaalsContact O-CB 3.23Å; K235-S239 WeakPolarHBondContact O-CB 3.37Å; K235-S239 PolarHBondContact O-N 3.18Å; K235-S239 PolarHBondContact O-OG 2.96Å
236M97.8Very high93.3Very high0 Ų051.2 Ų51.20%029%0.285CS..Hα-helixtrans-62.6-43.1174.2-63.4176-132.200111.2L197 G200 T201 V205 P231 S232 I233 D234 G240 A241 V242 V258L197-M236 WeakPolarHBondContact O-CE 3.4Å; G200-M236 VanDerWaalsContact C-CE 3.46Å; T201-M236 HydrophobicContact CG2-CE 3.69Å; V205-M236 HydrophobicContact CG2-CG 4.46Å; V205-M236 HydrophobicContact CG2-SD 4.24Å; P231-M236 HydrophobicContact CB-CG 4.06Å; P231-M236 HydrophobicContact CG-CE 4.04Å; P231-M236 HydrophobicContact CG-CG 3.6Å; P231-M236 HydrophobicContact CG-SD 4.39Å; P231-M236 VanDerWaalsContact O-CE 3.29Å; P231-M236 WeakPolarHBondContact O-CE 3.15Å; S232-M236 WeakPolarHBondContact O-CG 3.39Å; S232-M236 PolarHBondContact O-N 3.11Å; I233-M236 HydrophobicContact CG1-CE 4.11Å; I233-M236 WeakPolarHBondContact O-CB 3.35Å; I233-M236 PolarHBondContact O-N 3.35Å; I233-M236 VanDerWaalsContact O-N 3.13Å; D234-M236 VanDerWaalsContact C-N 3.29Å; D234-M236 PolarHBondContact O-N 3.28Å; M236-G240 PolarHBondContact O-N 3.08Å; M236-A241 HydrophobicContact CB-CB 4.32Å; M236-A241 WeakPolarHBondContact O-CB 3.23Å; M236-A241 PolarHBondContact O-N 2.79Å; M236-V242 HydrophobicContact CB-CG2 3.9Å; M236-V258 HydrophobicContact CB-CG1 4.47Å; M236-V258 HydrophobicContact SD-CG1 3.86Å; M236-V258 HydrophobicContact SD-CG2 4.28Å
237R96.9Very high91.5Very high101 Ų10157.9 Ų57.938%0.38132%0.319SS..Hα-helixtrans-66.4-50.7178-66.8-176.1-175.4-65.6-1.2111.9I233 D234 S239 G240 V242 E256I233-R237 PolarHBondContact O-N 3.4Å; I233-R237 VanDerWaalsContact O-N 3.08Å; D234-R237 WeakPolarHBondContact O-CB 3.48Å; D234-R237 PolarHBondContact O-N 3Å; D234-R237 VanDerWaalsContact O-N 3.1Å; R237-S239 PolarHBondContact O-N 3.34Å; R237-G240 PolarHBondContact O-N 3.15Å; R237-V242 HydrophobicContact CG-CG2 3.83Å; R237-E256 IonicContact CZ-OE1 2.72Å; R237-E256 IonicContact CZ-OE2 3.19Å; R237-E256 VanDerWaalsContact NH1-CD 3.3Å; R237-E256 IonicContact NH1-OE1 2.71Å; R237-E256 PolarHBondContact NH1-OE1 2.82Å; R237-E256 IonicContact NH1-OE2 3.71Å; R237-E256 PolarHBondContact NH1-OE2 2.84Å; R237-E256 IonicContact NH2-OE1 2.6Å; R237-E256 IonicContact NH2-OE2 3.66Å; R237-E256 PolarHBondContact NH2-OE2 2.91Å
238D96.7Very high89.6Confident138 Ų13858.9 Ų58.974%0.73833%0.331SS*.Hα-helixtrans-60.8-31.5-178.9-69.6-14.6000112.5D234 G240D234-D238 WeakPolarHBondContact O-CB 3.38Å; D234-D238 VanDerWaalsContact O-CG 3.27Å; D234-D238 PolarHBondContact O-N 2.95Å; D238-G240 VanDerWaalsContact C-N 3.33Å
239S95.6Very high87.9Confident30 Ų3061.3 Ų61.321%0.2134%0.344CS..THydrogen-bonded Turntrans-85.3-6.7178.5-50.60000113V207 K235 R237V207-S239 WeakPolarHBondContact CG1-O 3.46Å; K235-S239 VanDerWaalsContact O-CB 3.23Å; K235-S239 WeakPolarHBondContact O-CB 3.37Å; K235-S239 PolarHBondContact O-N 3.18Å; K235-S239 PolarHBondContact O-OG 2.96Å; R237-S239 PolarHBondContact O-N 3.34Å
240G95.4Very high86.6Confident53 Ų5361.2 Ų61.255%0.54634%0.343SS..THydrogen-bonded Turntrans73.226.5-177.500000114.3M236 R237 D238M236-G240 PolarHBondContact O-N 3.08Å; R237-G240 PolarHBondContact O-N 3.15Å; D238-G240 VanDerWaalsContact C-N 3.33Å
241A96.5Very high85.1Confident4 Ų458.9 Ų58.93%0.03334%0.337CS..  trans-79.7-24.5179.200000113.4V205 V207 M236V205-A241 HydrophobicContact CG1-CB 3.64Å; V207-A241 HydrophobicContact CG2-CB 4.18Å; M236-A241 HydrophobicContact CB-CB 4.32Å; M236-A241 WeakPolarHBondContact O-CB 3.23Å; M236-A241 PolarHBondContact O-N 2.79Å
242V95.1Very high83.8Confident33 Ų3360.6 Ų60.620%0.235%0.345CS..  trans-75.3127.2-173.9-1770000110.7L197 M236 R237 E256 V258L197-V242 HydrophobicContact CD2-CG1 4.28Å; L197-V242 HydrophobicContact CD2-CG2 3.91Å; M236-V242 HydrophobicContact CB-CG2 3.9Å; R237-V242 HydrophobicContact CG-CG2 3.83Å; V242-E256 HydrophobicContact CG1-CB 3.81Å; V242-E256 HydrophobicContact CG1-CG 4.1Å; V242-V258 HydrophobicContact CG2-CG1 4.05Å
243C90.9Very high82.4Confident31 Ų3163 Ų6321%0.20936%0.361CS..EExtended strand (participates in β ladder)trans-107.2149178-640000110.6E256 F257C243-E256 VanDerWaalsContact O-CA 3.31Å; C243-E256 WeakPolarHBondContact O-CA 3.47Å; C243-F257 HydrophobicContact CB-CD1 3.85Å; C243-F257 HydrophobicContact CB-CD2 4.25Å; C243-F257 HydrophobicContact CB-CE1 3.36Å; C243-F257 HydrophobicContact CB-CE2 3.82Å; C243-F257 HydrophobicContact CB-CG 4.27Å; C243-F257 HydrophobicContact CB-CZ 3.35Å; C243-F257 PolarHBondContact N-O 2.64Å; C243-F257 PolarHBondContact O-N 3.2Å
244A86.8Confident81.4Confident50 Ų5063 Ų6341%0.41336%0.362SS..EExtended strand (participates in β ladder)trans-87.5126.1173.600000110.8Q246A244-Q246 VanDerWaalsContact C-N 3.27Å; A244-Q246 HydrophobicContact CB-CG 4.28Å; A244-Q246 PolarHBondContact O-N 3.49Å
245N77.8Confident80.7Confident15 Ų1564.5 Ų64.58%0.0837%0.369CS..  trans-79.274172.4-173.810000110.2N247 L249 M252 D254 I255 F257N245-N247 PolarHBondContact O-N 2.82Å; N245-L249 PolarHBondContact OD1-N 3.36Å; N245-L249 VanDerWaalsContact OD1-N 3.12Å; N245-M252 PolarHBondContact ND2-O 2.83Å; N245-D254 VanDerWaalsContact CB-O 3.25Å; N245-D254 WeakPolarHBondContact CB-O 3.29Å; N245-D254 PolarHBondContact ND2-O 3.3Å; N245-I255 WeakPolarHBondContact CB-O 3.46Å; N245-I255 PolarHBondContact N-O 2.68Å; N245-F257 HydrophobicContact CB-CD1 4.03Å; N245-F257 HydrophobicContact CB-CE1 4.47Å
246Q67.3Low80.5Confident126 Ų12663 Ų6359%0.58936%0.363SS*.G310 helixtrans-66.8126.7177.3-62.1-176.36.700109.8A244 G248A244-Q246 VanDerWaalsContact C-N 3.27Å; A244-Q246 HydrophobicContact CB-CG 4.28Å; A244-Q246 PolarHBondContact O-N 3.49Å; Q246-G248 PolarHBondContact O-N 2.87Å
247N57.2Low80.3Confident159 Ų15963 Ų6385%0.8536%0.363SS*.G310 helixtrans6717.2175.5-57.1-25.1000117.4N245 L249N245-N247 PolarHBondContact O-N 2.82Å; N247-L249 VanDerWaalsContact C-N 3.34Å; N247-L249 PolarHBondContact O-N 2.81Å
248G58.4Low80.2Confident26 Ų2658.2 Ų58.227%0.26835%0.345SS..G310 helixtrans6341.9176.400000112.6Q246 F250Q246-G248 PolarHBondContact O-N 2.87Å; G248-F250 VanDerWaalsContact C-N 3.33Å
249L60.2Low80.2Confident69 Ų6951.7 Ų51.736%0.36131%0.31SS..  trans-71.8-30-171.1-170.760.7000112.6M4 Y216 N245 N247M4-L249 HydrophobicContact CE-CD1 4.19Å; Y216-L249 VanDerWaalsContact CB-CD2 3.47Å; Y216-L249 HydrophobicContact CD2-CD2 3.22Å; Y216-L249 HydrophobicContact CE2-CD2 4.16Å; Y216-L249 HydrophobicContact CG-CD2 3.59Å; N245-L249 PolarHBondContact OD1-N 3.36Å; N245-L249 VanDerWaalsContact OD1-N 3.12Å; N247-L249 VanDerWaalsContact C-N 3.34Å; N247-L249 PolarHBondContact O-N 2.81Å
250F68.2Low80.2Confident16 Ų1650.3 Ų50.37%0.0730%0.3CS..SBendtrans-91159.2173.2-56.1-71.4000110.1P194 Y216 G248 M252 F257 N342P194-F250 HydrophobicContact CB-CD1 3.8Å; P194-F250 HydrophobicContact CB-CE1 3.93Å; P194-F250 HydrophobicContact CB-CG 4.11Å; P194-F250 HydrophobicContact CB-CZ 4.39Å; P194-F250 HydrophobicContact CG-CD1 3.58Å; P194-F250 HydrophobicContact CG-CE1 3.82Å; P194-F250 HydrophobicContact CG-CG 4.28Å; Y216-F250 AromaticContact CD1-CZ 3.88Å; Y216-F250 HydrophobicContact CD1-CZ 3.88Å; Y216-F250 HydrophobicContact CE1-CZ 4.29Å; Y216-F250 HydrophobicContact CG-CZ 4.3Å; G248-F250 VanDerWaalsContact C-N 3.33Å; F250-M252 HydrophobicContact CB-CB 4.32Å; F250-M252 HydrophobicContact CB-CG 4.43Å; F250-M252 PolarHBondContact O-N 3.29Å; F250-F257 HydrophobicContact CD2-CD1 4.2Å; F250-F257 AromaticContact CD2-CE1 3.99Å; F250-F257 HydrophobicContact CD2-CE1 3.99Å; F250-F257 HydrophobicContact CD2-CZ 4.17Å; F250-F257 HydrophobicContact CE2-CD1 4.08Å; F250-F257 HydrophobicContact CE2-CD2 4.49Å; F250-F257 AromaticContact CE2-CE1 3.41Å; F250-F257 HydrophobicContact CE2-CE1 3.41Å; F250-F257 VanDerWaalsContact CE2-CE1 3.41Å; F250-F257 AromaticContact CE2-CE2 3.88Å; F250-F257 HydrophobicContact CE2-CE2 3.88Å; F250-F257 AromaticContact CE2-CZ 3.29Å; F250-F257 HydrophobicContact CE2-CZ 3.29Å; F250-F257 HydrophobicContact CZ-CE1 4.29Å; F250-F257 HydrophobicContact CZ-CE2 4.05Å; F250-F257 AromaticContact CZ-CZ 3.71Å; F250-F257 HydrophobicContact CZ-CZ 3.71Å; F250-N342 VanDerWaalsContact CD1-O 3.24Å; F250-N342 WeakPolarHBondContact CD1-O 3.5Å; F250-N342 HydrophobicContact CE1-CB 3.71Å; F250-N342 WeakPolarHBondContact CE1-O 3.29Å
251S62.6Low80.2Confident33 Ų3348.2 Ų48.223%0.23128%0.276CS..SBendtrans-62.52.5173.6-173.60000113.8S5S5-S251 PolarHBondContact OG-OG 3.17Å
252M68.3Low80Confident47 Ų4748.1 Ų48.123%0.23228%0.276CS..  trans-90.1138.1-177.6-64.6-143.668.600112P196 N245 F250 D254P196-M252 HydrophobicContact CB-CE 3.65Å; P196-M252 WeakPolarHBondContact CD-SD 3.48Å; P196-M252 HydrophobicContact CG-CE 3.29Å; P196-M252 HydrophobicContact CG-SD 4.2Å; N245-M252 PolarHBondContact ND2-O 2.83Å; F250-M252 HydrophobicContact CB-CB 4.32Å; F250-M252 HydrophobicContact CB-CG 4.43Å; F250-M252 PolarHBondContact O-N 3.29Å; M252-D254 VanDerWaalsContact C-N 3.32Å; M252-D254 WeakPolarHBondContact CE-OD2 3.46Å
253S66.8Low80Confident117 Ų11746.6 Ų46.682%0.81827%0.267SS*.  trans-77.5-17.9173.849.70000113.6
254D76.6Confident80.4Confident66 Ų6645.1 Ų45.135%0.35326%0.257SS..  trans-70.3141.6-174.7-62-48.4000112.1N245 M252 E256N245-D254 VanDerWaalsContact CB-O 3.25Å; N245-D254 WeakPolarHBondContact CB-O 3.29Å; N245-D254 PolarHBondContact ND2-O 3.3Å; M252-D254 VanDerWaalsContact C-N 3.32Å; M252-D254 WeakPolarHBondContact CE-OD2 3.46Å; D254-E256 WeakPolarHBondContact CB-O 3.43Å; D254-E256 PolarHBondContact O-N 3.32Å
255I84.3Confident80.9Confident143 Ų14342.9 Ų42.973%0.73324%0.237SC*.SBendtrans-72-22.4178.1-57.8170000110.7N245N245-I255 WeakPolarHBondContact CB-O 3.46Å; N245-I255 PolarHBondContact N-O 2.68Å
256E91.4Very high81.9Confident65 Ų6542.1 Ų42.130%0.30423%0.234SC..EExtended strand (participates in β ladder)trans-129.2148.1-177.8-64.7179.8125.600110.1L197 R237 V242 C243 D254L197-E256 HydrophobicContact CD1-CB 3.68Å; L197-E256 WeakPolarHBondContact CD1-O 3.25Å; R237-E256 IonicContact CZ-OE1 2.72Å; R237-E256 IonicContact CZ-OE2 3.19Å; R237-E256 VanDerWaalsContact NH1-CD 3.3Å; R237-E256 IonicContact NH1-OE1 2.71Å; R237-E256 PolarHBondContact NH1-OE1 2.82Å; R237-E256 IonicContact NH1-OE2 3.71Å; R237-E256 PolarHBondContact NH1-OE2 2.84Å; R237-E256 IonicContact NH2-OE1 2.6Å; R237-E256 IonicContact NH2-OE2 3.66Å; R237-E256 PolarHBondContact NH2-OE2 2.91Å; V242-E256 HydrophobicContact CG1-CB 3.81Å; V242-E256 HydrophobicContact CG1-CG 4.1Å; C243-E256 VanDerWaalsContact O-CA 3.31Å; C243-E256 WeakPolarHBondContact O-CA 3.47Å; D254-E256 WeakPolarHBondContact CB-O 3.43Å; D254-E256 PolarHBondContact O-N 3.32Å
257F92.7Very high83.4Confident2 Ų237.1 Ų37.11%0.00921%0.211CC..EExtended strand (participates in β ladder)trans-146.8167.2177.572.9-80.8000110.4P194 S195 Y216 C243 N245 F250 Y259P194-F257 HydrophobicContact CB-CD2 3.69Å; P194-F257 HydrophobicContact CB-CE2 3.96Å; S195-F257 WeakPolarHBondContact O-CA 3.31Å; S195-F257 WeakPolarHBondContact O-CB 3.47Å; Y216-F257 HydrophobicContact CE1-CZ 4.28Å; C243-F257 HydrophobicContact CB-CD1 3.85Å; C243-F257 HydrophobicContact CB-CD2 4.25Å; C243-F257 HydrophobicContact CB-CE1 3.36Å; C243-F257 HydrophobicContact CB-CE2 3.82Å; C243-F257 HydrophobicContact CB-CG 4.27Å; C243-F257 HydrophobicContact CB-CZ 3.35Å; C243-F257 PolarHBondContact N-O 2.64Å; C243-F257 PolarHBondContact O-N 3.2Å; N245-F257 HydrophobicContact CB-CD1 4.03Å; N245-F257 HydrophobicContact CB-CE1 4.47Å; F250-F257 HydrophobicContact CD2-CD1 4.2Å; F250-F257 AromaticContact CD2-CE1 3.99Å; F250-F257 HydrophobicContact CD2-CE1 3.99Å; F250-F257 HydrophobicContact CD2-CZ 4.17Å; F250-F257 HydrophobicContact CE2-CD1 4.08Å; F250-F257 HydrophobicContact CE2-CD2 4.49Å; F250-F257 AromaticContact CE2-CE1 3.41Å; F250-F257 HydrophobicContact CE2-CE1 3.41Å; F250-F257 VanDerWaalsContact CE2-CE1 3.41Å; F250-F257 AromaticContact CE2-CE2 3.88Å; F250-F257 HydrophobicContact CE2-CE2 3.88Å; F250-F257 AromaticContact CE2-CZ 3.29Å; F250-F257 HydrophobicContact CE2-CZ 3.29Å; F250-F257 HydrophobicContact CZ-CE1 4.29Å; F250-F257 HydrophobicContact CZ-CE2 4.05Å; F250-F257 AromaticContact CZ-CZ 3.71Å; F250-F257 HydrophobicContact CZ-CZ 3.71Å; F257-Y259 HydrophobicContact CE2-CD2 4.12Å; F257-Y259 HydrophobicContact CE2-CE1 4.14Å; F257-Y259 AromaticContact CE2-CE2 3.59Å; F257-Y259 HydrophobicContact CE2-CE2 3.59Å; F257-Y259 AromaticContact CE2-CZ 3.6Å; F257-Y259 HydrophobicContact CZ-CE2 4.15Å
258V95.3Very high85.3Confident0 Ų031.7 Ų31.70%018%0.18CC..EExtended strand (participates in β ladder)trans-127.8159.3171.5-710000109.7S195 L197 V205 M236 V242 T260S195-V258 PolarHBondContact N-O 3.22Å; S195-V258 PolarHBondContact O-N 3Å; L197-V258 HydrophobicContact CG-CG1 4.49Å; V205-V258 HydrophobicContact CG1-CB 3.92Å; V205-V258 HydrophobicContact CG1-CG1 4.19Å; V205-V258 HydrophobicContact CG1-CG2 4.49Å; V205-V258 HydrophobicContact CG2-CG2 4.22Å; M236-V258 HydrophobicContact CB-CG1 4.47Å; M236-V258 HydrophobicContact SD-CG1 3.86Å; M236-V258 HydrophobicContact SD-CG2 4.28Å; V242-V258 HydrophobicContact CG2-CG1 4.05Å; V258-T260 HydrophobicContact CG2-CG2 4.08Å
259Y95.9Very high87.2Confident1 Ų138.2 Ų38.20%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-91.7110.4171.2-77.3-74.3000109.9A192 H193 P194 V205 F206 L208 F257 L340 N342A192-Y259 HydrophobicContact CB-CD1 4.21Å; H193-Y259 CarbonylContact O-C 3.55Å; H193-Y259 WeakPolarHBondContact O-CA 3.37Å; P194-Y259 HydrophobicContact CB-CE1 4.5Å; V205-Y259 WeakPolarHBondContact CA-O 3.35Å; F206-Y259 WeakPolarHBondContact CD2-O 3.36Å; F206-Y259 PolarHBondContact N-O 3.28Å; L208-Y259 HydrophobicContact CD1-CD2 3.49Å; L208-Y259 VanDerWaalsContact CD1-CD2 3.49Å; L208-Y259 HydrophobicContact CD1-CE2 3.79Å; L208-Y259 HydrophobicContact CD1-CG 4.17Å; L208-Y259 HydrophobicContact CG-CD2 4.47Å; F257-Y259 HydrophobicContact CE2-CD2 4.12Å; F257-Y259 HydrophobicContact CE2-CE1 4.14Å; F257-Y259 AromaticContact CE2-CE2 3.59Å; F257-Y259 HydrophobicContact CE2-CE2 3.59Å; F257-Y259 AromaticContact CE2-CZ 3.6Å; F257-Y259 HydrophobicContact CZ-CE2 4.15Å; Y259-L340 HydrophobicContact CD1-CB 4.46Å; Y259-L340 HydrophobicContact CD1-CD2 3.97Å; Y259-L340 HydrophobicContact CE1-CB 3.94Å; Y259-L340 HydrophobicContact CE1-CD1 4.09Å; Y259-L340 HydrophobicContact CE1-CD2 4.15Å; Y259-L340 HydrophobicContact CE1-CG 4.28Å; Y259-L340 HydrophobicContact CE2-CD1 4.06Å; Y259-L340 HydrophobicContact CG-CD2 4.17Å; Y259-N342 WeakPolarHBondContact CE1-OD1 3.3Å; Y259-N342 PolarHBondContact OH-OD1 3.34Å
260T96.2Very high89Confident0 Ų035.4 Ų35.40%019%0.187CC..EExtended strand (participates in β ladder)trans-96.9156.9178.952.30000112.5A192 H193 S195 V199 H203 G204 V205 V258A192-T260 CarbonylContact C-O 3.59Å; A192-T260 VanDerWaalsContact CA-O 3.25Å; A192-T260 WeakPolarHBondContact CA-O 3.45Å; H193-T260 PolarHBondContact N-O 3.18Å; H193-T260 PolarHBondContact O-N 3.45Å; H193-T260 PolarHBondContact O-OG1 3.02Å; S195-T260 WeakPolarHBondContact CB-OG1 3.27Å; S195-T260 PolarHBondContact OG-OG1 3.24Å; V199-T260 HydrophobicContact CG1-CG2 4.31Å; H203-T260 HydrophobicContact CB-CG2 4.27Å; G204-T260 WeakPolarHBondContact O-CA 3.22Å; G204-T260 WeakPolarHBondContact O-CB 3.44Å; V205-T260 HydrophobicContact CG2-CG2 4.31Å; V258-T260 HydrophobicContact CG2-CG2 4.08Å
261D95Very high90.4Very high9 Ų934.8 Ų34.85%0.04818%0.184CC..EExtended strand (participates in β ladder)trans-84.3163.8176.365.7-32.5000113.9G204 F206 F227 Y291G204-D261 WeakPolarHBondContact CA-OD1 3.39Å; G204-D261 PolarHBondContact N-OD1 3.3Å; G204-D261 PolarHBondContact O-N 3.06Å; F206-D261 HydrophobicContact CE2-CB 3.75Å; F206-D261 HydrophobicContact CZ-CB 3.73Å; F227-D261 HydrophobicContact CE2-CB 3.91Å; F227-D261 HydrophobicContact CZ-CB 4.43Å; F227-D261 WeakPolarHBondContact CZ-OD2 3.42Å; D261-Y291 WeakPolarHBondContact OD2-CD1 3.4Å
262S93.3Very high92.1Very high3 Ų338.5 Ų38.52%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-145.6-62.5171.357.60000111H193 Y291H193-S262 PolarHBondContact CD2-OG 3.01Å; H193-S262 VanDerWaalsContact CD2-OG 3.27Å; H193-S262 WeakPolarHBondContact NE2-CB 3.32Å; H193-S262 PolarHBondContact NE2-OG 3.45Å; S262-Y291 WeakPolarHBondContact O-CE1 3.17Å; S262-Y291 PolarHBondContact O-OH 2.94Å
263T95.8Very high93.5Very high1 Ų138.3 Ų38.31%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-134.9154.1-178.1-179.50000110.7Y151 V164 L191Y151-T263 HydrophobicContact CE1-CG2 4.18Å; V164-T263 WeakPolarHBondContact O-CA 3.49Å; V164-T263 WeakPolarHBondContact O-CB 3.44Å; V164-T263 PolarHBondContact O-OG1 2.67Å; L191-T263 HydrophobicContact CB-CG2 4.09Å; L191-T263 HydrophobicContact CD1-CG2 3.39Å; L191-T263 HydrophobicContact CG-CG2 3.76Å; L191-T263 PolarHBondContact N-O 3.13Å
264Y97.8Very high95Very high0 Ų032.8 Ų32.80%016%0.161CC..EExtended strand (participates in β ladder)trans-141.2150.5174.564.3-96.1000112.2V164 F188 T189 M266 A290 Y291 L295V164-Y264 HydrophobicContact CB-CD2 4.28Å; V164-Y264 HydrophobicContact CB-CE1 4.18Å; V164-Y264 HydrophobicContact CB-CE2 3.8Å; V164-Y264 HydrophobicContact CG1-CE1 4.2Å; V164-Y264 HydrophobicContact CG1-CE2 4.43Å; V164-Y264 HydrophobicContact CG2-CD2 4.46Å; V164-Y264 HydrophobicContact CG2-CE2 3.78Å; V164-Y264 PolarHBondContact N-O 3.07Å; V164-Y264 PolarHBondContact O-N 3.27Å; F188-Y264 AromaticContact CD1-CD2 3.63Å; F188-Y264 HydrophobicContact CD1-CD2 3.63Å; F188-Y264 AromaticContact CD1-CE2 3.94Å; F188-Y264 HydrophobicContact CD1-CE2 3.94Å; F188-Y264 HydrophobicContact CD1-CG 4.39Å; F188-Y264 AromaticContact CE1-CD2 3.89Å; F188-Y264 HydrophobicContact CE1-CD2 3.89Å; F188-Y264 AromaticContact CE1-CE2 3.68Å; F188-Y264 HydrophobicContact CE1-CE2 3.68Å; T189-Y264 CarbonylContact O-C 3.53Å; T189-Y264 WeakPolarHBondContact O-CA 3.43Å; Y264-M266 HydrophobicContact CD2-CG 3.89Å; Y264-M266 HydrophobicContact CE2-CE 4.02Å; Y264-M266 HydrophobicContact CE2-CG 3.71Å; Y264-M266 HydrophobicContact CE2-SD 3.9Å; Y264-A290 WeakPolarHBondContact OH-CB 3.3Å; Y264-A290 PolarHBondContact OH-O 2.76Å; Y264-Y291 HydrophobicContact CD1-CD1 4Å; Y264-Y291 AromaticContact CD1-CE1 3.72Å; Y264-Y291 HydrophobicContact CD1-CE1 3.72Å; Y264-Y291 AromaticContact CE1-CD1 3.89Å; Y264-Y291 HydrophobicContact CE1-CD1 3.89Å; Y264-Y291 AromaticContact CE1-CE1 3.76Å; Y264-Y291 HydrophobicContact CE1-CE1 3.76Å; Y264-Y291 HydrophobicContact CE1-CE2 4.47Å; Y264-Y291 HydrophobicContact CE1-CG 4.37Å; Y264-L295 HydrophobicContact CD1-CD1 4.01Å; Y264-L295 HydrophobicContact CD1-CD2 4.23Å; Y264-L295 HydrophobicContact CD1-CG 4.36Å; Y264-L295 HydrophobicContact CE1-CD1 4.46Å; Y264-L295 HydrophobicContact CG-CD2 4.2Å
265Y98.5Very high96Very high2 Ų230.1 Ų30.11%0.00815%0.147CC..EExtended strand (participates in β ladder)trans-95.1142.6169164.1-94.8000110.6M158 K159 P160 F162 F183 F188 T189 D267M158-Y265 HydrophobicContact CE-CD2 3.65Å; M158-Y265 HydrophobicContact CE-CE2 3.61Å; M158-Y265 HydrophobicContact CG-CD2 4.13Å; M158-Y265 HydrophobicContact CG-CE2 3.86Å; M158-Y265 HydrophobicContact SD-CD2 4.01Å; M158-Y265 HydrophobicContact SD-CE2 4.2Å; K159-Y265 PolarHBondContact O-OH 2.75Å; P160-Y265 PolarHBondContact O-OH 2.81Å; F162-Y265 CarbonylContact O-C 3.53Å; F162-Y265 VanDerWaalsContact O-CA 3.27Å; F162-Y265 WeakPolarHBondContact O-CA 3.38Å; F183-Y265 HydrophobicContact CB-CD1 3.95Å; F183-Y265 HydrophobicContact CB-CD2 3.88Å; F183-Y265 HydrophobicContact CB-CE1 4.19Å; F183-Y265 HydrophobicContact CB-CE2 4.12Å; F183-Y265 HydrophobicContact CB-CG 3.78Å; F183-Y265 HydrophobicContact CD1-CD1 4.13Å; F183-Y265 HydrophobicContact CD1-CD2 4.38Å; F183-Y265 AromaticContact CD1-CG 3.7Å; F183-Y265 HydrophobicContact CD1-CG 3.7Å; F183-Y265 HydrophobicContact CG-CD1 4.44Å; F183-Y265 HydrophobicContact CG-CD2 4.21Å; F183-Y265 AromaticContact CG-CG 3.94Å; F183-Y265 HydrophobicContact CG-CG 3.94Å; F188-Y265 CarbonylContact C-O 3.48Å; F188-Y265 VanDerWaalsContact CA-O 3.25Å; F188-Y265 WeakPolarHBondContact CA-O 3.16Å; T189-Y265 PolarHBondContact N-O 2.79Å; T189-Y265 PolarHBondContact O-N 2.9Å; Y265-D267 HydrophobicContact CE1-CB 3.92Å; Y265-D267 WeakPolarHBondContact OH-CA 3.43Å
266M98.1Very high96.6Very high0 Ų026.8 Ų26.80%013%0.13CC..EExtended strand (participates in β ladder)trans-118.8129.5166-65.2-175.3-72.900110T89 G161 F162 V164 F188 Y264 L274T89-M266 HydrophobicContact CG2-CE 3.92Å; G161-M266 WeakPolarHBondContact CA-O 3.08Å; F162-M266 HydrophobicContact CB-CE 4.36Å; F162-M266 PolarHBondContact N-O 2.7Å; F162-M266 PolarHBondContact O-N 2.84Å; V164-M266 HydrophobicContact CG2-CE 3.67Å; F188-M266 HydrophobicContact CD1-CG 3.54Å; F188-M266 HydrophobicContact CD1-SD 4.31Å; F188-M266 HydrophobicContact CE1-CG 3.25Å; F188-M266 HydrophobicContact CE1-SD 3.4Å; F188-M266 WeakPolarHBondContact CE1-SD 3.24Å; F188-M266 HydrophobicContact CE2-CG 4.4Å; F188-M266 HydrophobicContact CG-CG 4.24Å; F188-M266 HydrophobicContact CZ-CG 3.72Å; F188-M266 HydrophobicContact CZ-SD 3.53Å; F188-M266 VanDerWaalsContact CZ-SD 3.53Å; Y264-M266 HydrophobicContact CD2-CG 3.89Å; Y264-M266 HydrophobicContact CE2-CE 4.02Å; Y264-M266 HydrophobicContact CE2-CG 3.71Å; Y264-M266 HydrophobicContact CE2-SD 3.9Å; M266-L274 HydrophobicContact SD-CD1 3.7Å
267D98.2Very high96.9Very high21 Ų2124 Ų2411%0.11212%0.118CC..EExtended strand (participates in β ladder)trans-64.7154.9170.979.83.7000112P186 G187 Y265 K269 T270 A271P186-D267 WeakPolarHBondContact CA-OD2 3.12Å; G187-D267 VanDerWaalsContact N-CG 3.32Å; G187-D267 PolarHBondContact N-OD2 2.87Å; G187-D267 PolarHBondContact O-N 2.79Å; Y265-D267 HydrophobicContact CE1-CB 3.92Å; Y265-D267 WeakPolarHBondContact OH-CA 3.43Å; D267-K269 PolarHBondContact O-N 3.14Å; D267-K269 PolarHBondContact OD1-N 2.86Å; D267-T270 PolarHBondContact O-N 2.91Å; D267-T270 WeakPolarHBondContact OD1-CB 3.37Å; D267-T270 PolarHBondContact OD1-N 3.41Å; D267-T270 PolarHBondContact OD1-OG1 3.01Å; D267-A271 PolarHBondContact O-N 3.04Å
268F98.3Very high97Very high45 Ų4524.1 Ų24.120%0.19712%0.118CC..Hα-helixtrans-57.8-34.5-177.7178.4-100.2000113.2L104 F162 K272L104-F268 HydrophobicContact CB-CE2 4.04Å; L104-F268 HydrophobicContact CD2-CE2 4.19Å; L104-F268 HydrophobicContact CG-CD2 4.47Å; L104-F268 HydrophobicContact CG-CE2 3.84Å; F162-F268 HydrophobicContact CE2-CD2 4.08Å; F268-K272 HydrophobicContact CE1-CD 4.26Å; F268-K272 WeakPolarHBondContact O-CB 3.14Å; F268-K272 PolarHBondContact O-N 2.73Å
269K98Very high97.1Very high162 Ų16228.4 Ų28.470%0.70414%0.141SC*.Hα-helixtrans-64.5-44.4-179.9-176-176.9175.4-172.60111.1D267 K272 S273D267-K269 PolarHBondContact O-N 3.14Å; D267-K269 PolarHBondContact OD1-N 2.86Å; K269-K272 PolarHBondContact O-N 2.6Å; K269-S273 PolarHBondContact O-N 2.92Å; K269-S273 VanDerWaalsContact O-N 3.08Å; K269-S273 PolarHBondContact O-OG 2.89Å
270T97.9Very high97Very high11 Ų1135.9 Ų35.97%0.06718%0.176CC..Hα-helixtrans-67.4-45.1179.3-57.30000110.7F188 D267 K272 S273 L274 L331 T334F188-T270 HydrophobicContact CD2-CG2 3.97Å; F188-T270 HydrophobicContact CE2-CG2 3.34Å; F188-T270 HydrophobicContact CZ-CG2 4.06Å; D267-T270 PolarHBondContact O-N 2.91Å; D267-T270 WeakPolarHBondContact OD1-CB 3.37Å; D267-T270 PolarHBondContact OD1-N 3.41Å; D267-T270 PolarHBondContact OD1-OG1 3.01Å; T270-K272 VanDerWaalsContact C-N 3.26Å; T270-K272 PolarHBondContact O-N 3.45Å; T270-S273 WeakPolarHBondContact O-CB 3.33Å; T270-S273 PolarHBondContact O-N 3.46Å; T270-S273 VanDerWaalsContact O-N 3.08Å; T270-L274 PolarHBondContact O-N 3Å; T270-L331 HydrophobicContact CG2-CD2 4.24Å; T270-T334 HydrophobicContact CG2-CG2 4.17Å
271A98Very high96.9Very high2 Ų237.8 Ų37.82%0.01719%0.186CC..Hα-helixtrans-58.3-39.7174.400000112L93 F162 D267 S273 L274 L275L93-A271 HydrophobicContact CD1-CB 4.25Å; L93-A271 HydrophobicContact CD2-CB 3.99Å; F162-A271 HydrophobicContact CD2-CB 3.41Å; F162-A271 VanDerWaalsContact CD2-CB 3.41Å; F162-A271 HydrophobicContact CE2-CB 3.37Å; F162-A271 HydrophobicContact CG-CB 4.43Å; F162-A271 HydrophobicContact CZ-CB 4.35Å; D267-A271 PolarHBondContact O-N 3.04Å; A271-S273 PolarHBondContact O-N 3.34Å; A271-L274 PolarHBondContact O-N 2.68Å; A271-L275 PolarHBondContact O-N 3.19Å
272K98Very high96.7Very high111 Ų11138.7 Ų38.748%0.48320%0.197SC..Hα-helixtrans-64.8-38175.1-172174.6-176.3177.10112.8F268 K269 T270 L275 N276F268-K272 HydrophobicContact CE1-CD 4.26Å; F268-K272 WeakPolarHBondContact O-CB 3.14Å; F268-K272 PolarHBondContact O-N 2.73Å; K269-K272 PolarHBondContact O-N 2.6Å; T270-K272 VanDerWaalsContact C-N 3.26Å; T270-K272 PolarHBondContact O-N 3.45Å; K272-L275 PolarHBondContact O-N 2.71Å; K272-N276 VanDerWaalsContact O-CG 3.23Å; K272-N276 PolarHBondContact O-N 3.44Å; K272-N276 PolarHBondContact O-ND2 3.3Å
273S98.1Very high96.6Very high44 Ų4443.8 Ų43.831%0.30823%0.23SC..Hα-helixtrans-62.6-43173.8-63.40000111.8K269 T270 A271 N276 L277K269-S273 PolarHBondContact O-N 2.92Å; K269-S273 VanDerWaalsContact O-N 3.08Å; K269-S273 PolarHBondContact O-OG 2.89Å; T270-S273 WeakPolarHBondContact O-CB 3.33Å; T270-S273 PolarHBondContact O-N 3.46Å; T270-S273 VanDerWaalsContact O-N 3.08Å; A271-S273 PolarHBondContact O-N 3.34Å; S273-N276 PolarHBondContact O-N 3.42Å; S273-L277 PolarHBondContact O-N 2.88Å
274L97.9Very high96.4Very high0 Ų044.3 Ų44.30%023%0.233CC..Hα-helixtrans-62.9-41.7175.4-75.9170.3000112.2L90 L93 F188 M266 T270 A271 L277 L278 F294 L330 L331L90-L274 HydrophobicContact CD2-CB 3.75Å; L90-L274 HydrophobicContact CD2-CD2 4.29Å; L93-L274 HydrophobicContact CD1-CB 4.26Å; F188-L274 HydrophobicContact CZ-CD1 4.41Å; M266-L274 HydrophobicContact SD-CD1 3.7Å; T270-L274 PolarHBondContact O-N 3Å; A271-L274 PolarHBondContact O-N 2.68Å; L274-L277 WeakPolarHBondContact O-CB 3.39Å; L274-L277 PolarHBondContact O-N 3.34Å; L274-L278 PolarHBondContact O-N 2.86Å; L274-F294 HydrophobicContact CD2-CD1 4.38Å; L274-F294 HydrophobicContact CD2-CE1 4.21Å; L274-L330 HydrophobicContact CD2-CD2 3.94Å; L274-L330 HydrophobicContact CG-CD2 4.41Å; L274-L331 HydrophobicContact CD2-CD1 4.31Å; L274-L331 HydrophobicContact CD2-CD2 4.06Å; L274-L331 HydrophobicContact CD2-CG 4.35Å; L274-L331 HydrophobicContact CG-CD2 4.28Å
275L97.4Very high96Very high11 Ų1147.8 Ų47.86%0.05825%0.252CS..Hα-helixtrans-61.5-43.3173.6174.659000112.2L93 Q94 N97 A271 K272 L277 L278 N279L93-L275 HydrophobicContact CB-CB 4.49Å; Q94-L275 HydrophobicContact CB-CD1 3.77Å; Q94-L275 HydrophobicContact CG-CD1 4.36Å; N97-L275 HydrophobicContact CB-CD2 3.53Å; A271-L275 PolarHBondContact O-N 3.19Å; K272-L275 PolarHBondContact O-N 2.71Å; L275-L277 VanDerWaalsContact C-N 3.28Å; L275-L277 PolarHBondContact O-N 3.26Å; L275-L278 WeakPolarHBondContact O-CB 3.01Å; L275-L278 PolarHBondContact O-N 2.98Å; L275-N279 PolarHBondContact O-N 3.36Å; L275-N279 PolarHBondContact O-ND2 3.26Å
276N97.6Very high95.7Very high72 Ų7247.7 Ų47.739%0.38525%0.251SS..Hα-helixtrans-60.7-40.2176.1-69.5-19.5000111.4K272 S273 L278 N279 E280K272-N276 VanDerWaalsContact O-CG 3.23Å; K272-N276 PolarHBondContact O-N 3.44Å; K272-N276 PolarHBondContact O-ND2 3.3Å; S273-N276 PolarHBondContact O-N 3.42Å; N276-L278 PolarHBondContact O-N 2.89Å; N276-N279 WeakPolarHBondContact O-CB 3.26Å; N276-N279 PolarHBondContact O-N 2.92Å; N276-E280 WeakPolarHBondContact O-CG 3.49Å; N276-E280 PolarHBondContact O-N 2.9Å
277L96.6Very high95.4Very high8 Ų848.7 Ų48.74%0.04226%0.256CS..Hα-helixtrans-61-43.8174175.666.5000111.6S273 L274 L275 N279 E280 L281 K326 I327 L330S273-L277 PolarHBondContact O-N 2.88Å; L274-L277 WeakPolarHBondContact O-CB 3.39Å; L274-L277 PolarHBondContact O-N 3.34Å; L275-L277 VanDerWaalsContact C-N 3.28Å; L275-L277 PolarHBondContact O-N 3.26Å; L277-N279 VanDerWaalsContact C-N 3.28Å; L277-N279 PolarHBondContact O-N 3.2Å; L277-E280 WeakPolarHBondContact O-CB 3.42Å; L277-E280 PolarHBondContact O-N 3.4Å; L277-E280 VanDerWaalsContact O-N 3.12Å; L277-L281 HydrophobicContact CD1-CD1 4.07Å; L277-L281 HydrophobicContact CD1-CD2 4.4Å; L277-L281 HydrophobicContact CD1-CG 3.97Å; L277-L281 HydrophobicContact CD2-CD1 4.33Å; L277-L281 HydrophobicContact CG-CD1 3.82Å; L277-L281 HydrophobicContact CG-CG 4.16Å; L277-L281 WeakPolarHBondContact O-CB 3.27Å; L277-L281 VanDerWaalsContact O-CG 3.26Å; L277-L281 WeakPolarHBondContact O-CG 3.48Å; L277-L281 PolarHBondContact O-N 2.86Å; L277-K326 HydrophobicContact CD1-CB 4.14Å; L277-I327 HydrophobicContact CD2-CB 4.39Å; L277-I327 HydrophobicContact CD2-CG1 3.67Å; L277-L330 HydrophobicContact CB-CD2 3.85Å; L277-L330 HydrophobicContact CD2-CD2 3.84Å; L277-L330 HydrophobicContact CG-CD2 4.43Å
278L96.1Very high95.2Very high3 Ų347.7 Ų47.72%0.01625%0.251CS..Hα-helixtrans-58.1-42.6174.7179.768000111.4L90 Q94 L274 L275 N276 E280 L281 G282 L284L90-L278 HydrophobicContact CB-CB 4.34Å; L90-L278 HydrophobicContact CB-CD1 4.26Å; L90-L278 HydrophobicContact CB-CD2 3.99Å; L90-L278 HydrophobicContact CB-CG 4.42Å; L90-L278 WeakPolarHBondContact O-CD2 3.4Å; Q94-L278 HydrophobicContact CB-CD2 4.03Å; L274-L278 PolarHBondContact O-N 2.86Å; L275-L278 WeakPolarHBondContact O-CB 3.01Å; L275-L278 PolarHBondContact O-N 2.98Å; N276-L278 PolarHBondContact O-N 2.89Å; L278-E280 VanDerWaalsContact C-N 3.26Å; L278-E280 PolarHBondContact O-N 3.44Å; L278-L281 PolarHBondContact O-N 3.21Å; L278-G282 PolarHBondContact O-N 2.89Å; L278-L284 HydrophobicContact CD1-CD1 4.12Å; L278-L284 HydrophobicContact CD1-CD2 3.99Å; L278-L284 HydrophobicContact CD1-CG 3.79Å
279N95.5Very high95Very high91 Ų9146.7 Ų46.749%0.48725%0.247SC..Hα-helixtrans-63-32.8177.7-65.7-30.4000112.6L275 N276 L277L275-N279 PolarHBondContact O-N 3.36Å; L275-N279 PolarHBondContact O-ND2 3.26Å; N276-N279 WeakPolarHBondContact O-CB 3.26Å; N276-N279 PolarHBondContact O-N 2.92Å; L277-N279 VanDerWaalsContact C-N 3.28Å; L277-N279 PolarHBondContact O-N 3.2Å
280E95.3Very high94.8Very high158 Ų15839 Ų3974%0.73821%0.214SC*.Hα-helixtrans-74.9-37.7174.5-70.1173.4-166.500112.7N276 L277 L278N276-E280 WeakPolarHBondContact O-CG 3.49Å; N276-E280 PolarHBondContact O-N 2.9Å; L277-E280 WeakPolarHBondContact O-CB 3.42Å; L277-E280 PolarHBondContact O-N 3.4Å; L277-E280 VanDerWaalsContact O-N 3.12Å; L278-E280 VanDerWaalsContact C-N 3.26Å; L278-E280 PolarHBondContact O-N 3.44Å
281L92.6Very high94.6Very high40 Ų4039.1 Ų39.121%0.20921%0.213CC..Hα-helixtrans-73.7-33.5180-69.8176.3000112.6L277 L278 L284 I323 K326L277-L281 HydrophobicContact CD1-CD1 4.07Å; L277-L281 HydrophobicContact CD1-CD2 4.4Å; L277-L281 HydrophobicContact CD1-CG 3.97Å; L277-L281 HydrophobicContact CD2-CD1 4.33Å; L277-L281 HydrophobicContact CG-CD1 3.82Å; L277-L281 HydrophobicContact CG-CG 4.16Å; L277-L281 WeakPolarHBondContact O-CB 3.27Å; L277-L281 VanDerWaalsContact O-CG 3.26Å; L277-L281 WeakPolarHBondContact O-CG 3.48Å; L277-L281 PolarHBondContact O-N 2.86Å; L278-L281 PolarHBondContact O-N 3.21Å; L281-L284 HydrophobicContact CD1-CD2 4.03Å; L281-I323 HydrophobicContact CD1-CG2 3.98Å; L281-I323 HydrophobicContact CD2-CG1 4.31Å; L281-K326 HydrophobicContact CD2-CD 3.54Å
282G91.6Very high94.4Very high28 Ų2839.1 Ų39.129%0.28921%0.213SC..  trans73.4-157.4-167.400000112.2L278 L284L278-G282 PolarHBondContact O-N 2.89Å; G282-L284 PolarHBondContact O-N 3.07Å
283P90.9Very high94.3Very high110 Ų11033.9 Ų33.971%0.71419%0.191SC*.SBendtrans-59.2124.2-179.2-23.934.1000112.4Y91Y91-P283 WeakPolarHBondContact OH-CA 3.29Å
284L92.2Very high94.3Very high11 Ų1131.8 Ų31.86%0.05818%0.176CC..  trans-66.4136.8176.5-59.3178.2000111.2I83 L90 Y91 L278 L281 G282I83-L284 HydrophobicContact CB-CB 4.48Å; I83-L284 HydrophobicContact CG2-CB 3.93Å; L90-L284 HydrophobicContact CD1-CD1 3.99Å; Y91-L284 HydrophobicContact CD2-CD1 4.4Å; Y91-L284 HydrophobicContact CE2-CB 4.29Å; Y91-L284 HydrophobicContact CE2-CD1 4.02Å; Y91-L284 HydrophobicContact CE2-CG 4.1Å; Y91-L284 PolarHBondContact OH-N 3.32Å; L278-L284 HydrophobicContact CD1-CD1 4.12Å; L278-L284 HydrophobicContact CD1-CD2 3.99Å; L278-L284 HydrophobicContact CD1-CG 3.79Å; L281-L284 HydrophobicContact CD1-CD2 4.03Å; G282-L284 PolarHBondContact O-N 3.07Å
285N90Very high94.2Very high73 Ų7331.9 Ų31.939%0.3918%0.176SC..  trans-12013.1179.767.8-11.2000113.2C81 E317C81-N285 WeakPolarHBondContact SG-CA 3.48Å; C81-N285 PolarHBondContact SG-O 2.91Å; C81-N285 VanDerWaalsContact SG-O 3.39Å; N285-E317 WeakPolarHBondContact O-CB 3.43Å; N285-E317 WeakPolarHBondContact O-CG 3.07Å
286C90.9Very high94.2Very high0 Ų032.9 Ų32.90%018%0.181CC..SBendtrans-147.6160.9-177.770.80000112.2K82 I83 I288 E317 L320 I323K82-C286 CarbonylContact O-C 3.47Å; I83-C286 WeakPolarHBondContact CA-O 3.34Å; C286-I288 PolarHBondContact O-N 3.15Å; C286-E317 HydrophobicContact CB-CB 3.92Å; C286-L320 HydrophobicContact CB-CB 4.14Å; C286-L320 HydrophobicContact CB-CD1 3.97Å; C286-I323 WeakPolarHBondContact SG-CD1 3.37Å
287E92.8Very high94.1Very high22 Ų2229.4 Ų29.410%0.10316%0.162CC..  trans-76.9117.4178.4-178.5163.6-159.900111.7K82 V313 T314 L320K82-E287 WeakPolarHBondContact CE-OE1 2.95Å; K82-E287 IonicContact NZ-OE1 2.62Å; K82-E287 PolarHBondContact NZ-OE1 2.88Å; K82-E287 IonicContact NZ-OE2 3.37Å; K82-E287 PolarHBondContact O-N 2.82Å; E287-V313 HydrophobicContact CB-CB 4.38Å; E287-V313 HydrophobicContact CB-CG1 4.1Å; E287-V313 HydrophobicContact CG-CG1 4.3Å; E287-T314 WeakPolarHBondContact OE2-CB 3.25Å; E287-T314 PolarHBondContact OE2-N 2.93Å; E287-T314 PolarHBondContact OE2-OG1 2.95Å; E287-L320 WeakPolarHBondContact O-CD1 3.49Å
288I93.9Very high94.1Very high0 Ų029 Ų290%016%0.16CC..  trans-108.4129.2173.5-55.4-56.8000109I83 G84 N85 G86 G87 C286 D293 F294 L320 I323 R324 I327I83-I288 PolarHBondContact O-N 2.81Å; G84-I288 CarbonylContact C-O 3.56Å; G84-I288 VanDerWaalsContact C-O 3.32Å; G84-I288 WeakPolarHBondContact CA-O 3.45Å; N85-I288 PolarHBondContact N-O 3.28Å; G86-I288 VanDerWaalsContact CA-O 3.3Å; G86-I288 WeakPolarHBondContact CA-O 3.47Å; G86-I288 PolarHBondContact N-O 3.04Å; G87-I288 PolarHBondContact N-O 3.09Å; C286-I288 PolarHBondContact O-N 3.15Å; I288-D293 WeakPolarHBondContact CA-OD2 3.47Å; I288-D293 HydrophobicContact CG2-CB 3.92Å; I288-F294 HydrophobicContact CG2-CE1 3.99Å; I288-F294 HydrophobicContact CG2-CZ 4.39Å; I288-L320 HydrophobicContact CD1-CD1 4.37Å; I288-I323 HydrophobicContact CD1-CB 4.42Å; I288-I323 HydrophobicContact CD1-CG2 3.64Å; I288-I323 HydrophobicContact CG1-CG2 4.32Å; I288-R324 HydrophobicContact CD1-CG 4.26Å; I288-I327 HydrophobicContact CD1-CD1 4.01Å; I288-I327 HydrophobicContact CG1-CD1 4.32Å; I288-I327 HydrophobicContact CG2-CD1 3.67Å
289D94Very high94Very high23 Ų2329.7 Ų29.712%0.12317%0.167CC..  trans-97.1124.5178.2-169.5-72.3000110.9N85 H229 Y291 G292 D293N85-D289 VanDerWaalsContact OD1-CA 3.29Å; N85-D289 WeakPolarHBondContact OD1-CA 3.45Å; H229-D289 IonicContact CE1-OD1 2.68Å; D289-Y291 PolarHBondContact O-N 3.38Å; D289-Y291 WeakPolarHBondContact OD1-CA 3.27Å; D289-Y291 WeakPolarHBondContact OD1-CB 3.48Å; D289-Y291 PolarHBondContact OD1-N 2.84Å; D289-G292 PolarHBondContact OD1-N 3.03Å; D289-D293 PolarHBondContact N-OD2 3.37Å; D289-D293 WeakPolarHBondContact O-CA 3.38Å; D289-D293 VanDerWaalsContact O-CB 3.23Å; D289-D293 WeakPolarHBondContact O-CB 3.03Å; D289-D293 PolarHBondContact O-N 2.98Å
290A94.2Very high93.9Very high0 Ų030.3 Ų30.30%018%0.177CC..Iπ-helixtrans-64-23.6-175.300000113.1N85 Y264 F294N85-A290 PolarHBondContact OD1-N 3.32Å; Y264-A290 WeakPolarHBondContact OH-CB 3.3Å; Y264-A290 PolarHBondContact OH-O 2.76Å; A290-F294 HydrophobicContact CB-CD2 4.21Å; A290-F294 HydrophobicContact CB-CE2 4.19Å; A290-F294 VanDerWaalsContact O-CB 3.24Å; A290-F294 WeakPolarHBondContact O-CB 3.25Å; A290-F294 VanDerWaalsContact O-CD2 3.3Å; A290-F294 WeakPolarHBondContact O-CD2 3.42Å; A290-F294 WeakPolarHBondContact O-CG 3.37Å
291Y93.4Very high93.9Very high15 Ų1528.8 Ų28.86%0.05917%0.168CC..Iπ-helixtrans-101.4-49179-59.4-97.7000109.7F227 D261 S262 Y264 D289 D293 L295 Q296F227-Y291 WeakPolarHBondContact CE1-O 3.39Å; D261-Y291 WeakPolarHBondContact OD2-CD1 3.4Å; S262-Y291 WeakPolarHBondContact O-CE1 3.17Å; S262-Y291 PolarHBondContact O-OH 2.94Å; Y264-Y291 HydrophobicContact CD1-CD1 4Å; Y264-Y291 AromaticContact CD1-CE1 3.72Å; Y264-Y291 HydrophobicContact CD1-CE1 3.72Å; Y264-Y291 AromaticContact CE1-CD1 3.89Å; Y264-Y291 HydrophobicContact CE1-CD1 3.89Å; Y264-Y291 AromaticContact CE1-CE1 3.76Å; Y264-Y291 HydrophobicContact CE1-CE1 3.76Å; Y264-Y291 HydrophobicContact CE1-CE2 4.47Å; Y264-Y291 HydrophobicContact CE1-CG 4.37Å; D289-Y291 PolarHBondContact O-N 3.38Å; D289-Y291 WeakPolarHBondContact OD1-CA 3.27Å; D289-Y291 WeakPolarHBondContact OD1-CB 3.48Å; D289-Y291 PolarHBondContact OD1-N 2.84Å; Y291-D293 VanDerWaalsContact C-N 3.35Å; Y291-D293 PolarHBondContact O-N 2.86Å; Y291-L295 HydrophobicContact CD1-CD1 3.8Å; Y291-L295 WeakPolarHBondContact O-CB 3.33Å; Y291-L295 PolarHBondContact O-N 3.01Å; Y291-L295 VanDerWaalsContact O-N 3.09Å; Y291-Q296 PolarHBondContact O-N 2.94Å
292G93.7Very high94Very high2 Ų227.7 Ų27.72%0.02116%0.164CC..Iπ-helixtrans-63.8-32.5179.100000114.1D289 Q296 Y306D289-G292 PolarHBondContact OD1-N 3.03Å; G292-Q296 VanDerWaalsContact O-CB 3.31Å; G292-Q296 WeakPolarHBondContact O-CB 3.22Å; G292-Q296 WeakPolarHBondContact O-CG 3.23Å; G292-Q296 PolarHBondContact O-NE2 3.27Å; G292-Y306 WeakPolarHBondContact O-CD2 3.5Å; G292-Y306 WeakPolarHBondContact O-CE2 3.41Å
293D95.6Very high94.1Very high1 Ų129.7 Ų29.71%0.00517%0.171CC..Iπ-helixtrans-106.6-32.3-177.6-60.7-44000112.8I288 D289 Y291 Y306 R324 I327I288-D293 WeakPolarHBondContact CA-OD2 3.47Å; I288-D293 HydrophobicContact CG2-CB 3.92Å; D289-D293 PolarHBondContact N-OD2 3.37Å; D289-D293 WeakPolarHBondContact O-CA 3.38Å; D289-D293 VanDerWaalsContact O-CB 3.23Å; D289-D293 WeakPolarHBondContact O-CB 3.03Å; D289-D293 PolarHBondContact O-N 2.98Å; Y291-D293 VanDerWaalsContact C-N 3.35Å; Y291-D293 PolarHBondContact O-N 2.86Å; D293-Y306 HydrophobicContact CB-CE2 4.48Å; D293-Y306 PolarHBondContact O-OH 3.31Å; D293-Y306 WeakPolarHBondContact OD1-CE2 3.49Å; D293-R324 VanDerWaalsContact OD1-CD 3.24Å; D293-R324 WeakPolarHBondContact OD1-CD 3.34Å; D293-R324 WeakPolarHBondContact OD1-CG 3.43Å; D293-R324 IonicContact OD1-CZ 3.53Å; D293-R324 IonicContact OD1-NE 3.73Å; D293-R324 PolarHBondContact OD1-NE 3.41Å; D293-R324 IonicContact OD1-NH2 2.8Å; D293-R324 IonicContact OD2-CZ 2.91Å; D293-R324 IonicContact OD2-NE 2.7Å; D293-R324 PolarHBondContact OD2-NE 3.11Å; D293-R324 VanDerWaalsContact OD2-NE 3.15Å; D293-R324 IonicContact OD2-NH2 2.78Å; D293-I327 HydrophobicContact CB-CD1 4.49Å; D293-I327 WeakPolarHBondContact O-CG2 3.2Å
294F97.4Very high94.2Very high0 Ų027.6 Ų27.60%015%0.152CC..Iπ-helixtrans-83.8-56176-49.9-24.5000112T89 L90 F188 L274 I288 A290 A297 L298 I327 L331T89-F294 HydrophobicContact CG2-CE2 4.14Å; L90-F294 HydrophobicContact CD2-CZ 4.33Å; L90-F294 HydrophobicContact CG-CZ 4.22Å; F188-F294 HydrophobicContact CE1-CB 4.2Å; F188-F294 HydrophobicContact CZ-CB 4.15Å; L274-F294 HydrophobicContact CD2-CD1 4.38Å; L274-F294 HydrophobicContact CD2-CE1 4.21Å; I288-F294 HydrophobicContact CG2-CE1 3.99Å; I288-F294 HydrophobicContact CG2-CZ 4.39Å; A290-F294 HydrophobicContact CB-CD2 4.21Å; A290-F294 HydrophobicContact CB-CE2 4.19Å; A290-F294 VanDerWaalsContact O-CB 3.24Å; A290-F294 WeakPolarHBondContact O-CB 3.25Å; A290-F294 VanDerWaalsContact O-CD2 3.3Å; A290-F294 WeakPolarHBondContact O-CD2 3.42Å; A290-F294 WeakPolarHBondContact O-CG 3.37Å; F294-A297 WeakPolarHBondContact O-CB 3.43Å; F294-A297 PolarHBondContact O-N 2.81Å; F294-L298 WeakPolarHBondContact O-CG 3.38Å; F294-I327 HydrophobicContact CD1-CG2 3.84Å; F294-I327 HydrophobicContact CE1-CD1 4.29Å; F294-I327 HydrophobicContact CE1-CG2 4.23Å; F294-L331 HydrophobicContact CB-CD1 3.95Å; F294-L331 HydrophobicContact CD1-CD1 4.19Å; F294-L331 HydrophobicContact CG-CD1 4.39Å
295L97Very high94.2Very high1 Ų134.1 Ų34.11%0.00518%0.183CC..G310 helixtrans-70.4-36.3-173.6-58.1-176.9000113.1F188 F227 Y264 Y291 A297 L298 L336F188-L295 HydrophobicContact CD1-CD2 3.68Å; F188-L295 HydrophobicContact CE1-CD2 4.13Å; F188-L295 HydrophobicContact CG-CD2 4.37Å; F227-L295 HydrophobicContact CB-CB 4.25Å; F227-L295 HydrophobicContact CD1-CB 3.61Å; F227-L295 HydrophobicContact CD2-CB 4.27Å; F227-L295 HydrophobicContact CD2-CD1 4.37Å; F227-L295 HydrophobicContact CE1-CB 3.87Å; F227-L295 HydrophobicContact CE1-CD1 4.41Å; F227-L295 HydrophobicContact CE2-CB 4.47Å; F227-L295 HydrophobicContact CE2-CD1 3.99Å; F227-L295 HydrophobicContact CG-CB 3.81Å; F227-L295 HydrophobicContact CZ-CB 4.26Å; F227-L295 HydrophobicContact CZ-CD1 3.98Å; Y264-L295 HydrophobicContact CD1-CD1 4.01Å; Y264-L295 HydrophobicContact CD1-CD2 4.23Å; Y264-L295 HydrophobicContact CD1-CG 4.36Å; Y264-L295 HydrophobicContact CE1-CD1 4.46Å; Y264-L295 HydrophobicContact CG-CD2 4.2Å; Y291-L295 HydrophobicContact CD1-CD1 3.8Å; Y291-L295 WeakPolarHBondContact O-CB 3.33Å; Y291-L295 PolarHBondContact O-N 3.01Å; Y291-L295 VanDerWaalsContact O-N 3.09Å; L295-A297 PolarHBondContact O-N 3.03Å; L295-L298 HydrophobicContact CD2-CD1 3.92Å; L295-L298 WeakPolarHBondContact O-CB 3.43Å; L295-L298 PolarHBondContact O-N 2.9Å; L295-L336 HydrophobicContact CD2-CD1 4.26Å
296Q95.9Very high94.3Very high32 Ų3231.5 Ų31.515%0.1517%0.167CC..G310 helixtrans-64.7-19.9175.3-69.9-166.596.400113.2F227 H229 Y291 G292 L298 Y306F227-Q296 HydrophobicContact CD1-CB 4.43Å; F227-Q296 HydrophobicContact CD1-CG 3.58Å; F227-Q296 HydrophobicContact CE1-CG 4.15Å; H229-Q296 VanDerWaalsContact CB-CD 3.49Å; H229-Q296 HydrophobicContact CB-CG 3.95Å; H229-Q296 VanDerWaalsContact CB-NE2 3.32Å; Y291-Q296 PolarHBondContact O-N 2.94Å; G292-Q296 VanDerWaalsContact O-CB 3.31Å; G292-Q296 WeakPolarHBondContact O-CB 3.22Å; G292-Q296 WeakPolarHBondContact O-CG 3.23Å; G292-Q296 PolarHBondContact O-NE2 3.27Å; Q296-L298 PolarHBondContact O-N 2.81Å; Q296-Y306 HydrophobicContact CB-CD1 3.58Å; Q296-Y306 HydrophobicContact CB-CD2 4.28Å; Q296-Y306 HydrophobicContact CB-CE1 3.67Å; Q296-Y306 HydrophobicContact CB-CE2 4.42Å; Q296-Y306 HydrophobicContact CB-CG 3.9Å; Q296-Y306 HydrophobicContact CG-CG 4.46Å
297A96.9Very high94.4Very high0 Ų031.5 Ų31.50%017%0.167CC..G310 helixtrans-77.8-6.517500000113.8F294 L295 F328 L331F294-A297 WeakPolarHBondContact O-CB 3.43Å; F294-A297 PolarHBondContact O-N 2.81Å; L295-A297 PolarHBondContact O-N 3.03Å; A297-F328 HydrophobicContact CB-CB 4.47Å; A297-F328 HydrophobicContact CB-CD2 3.92Å; A297-L331 HydrophobicContact CB-CB 3.78Å; A297-L331 HydrophobicContact CB-CD1 4.08Å
298L96.1Very high94.3Very high0 Ų037.5 Ų37.50%019%0.193CC..  trans-108.6156.3-170.8-51.4169.7000112.8F188 F294 L295 Q296 A302 L331 T334 L336F188-L298 HydrophobicContact CB-CD1 3.78Å; F188-L298 HydrophobicContact CD1-CD1 3.93Å; F188-L298 HydrophobicContact CD2-CD1 3.32Å; F188-L298 HydrophobicContact CD2-CD2 3.94Å; F188-L298 HydrophobicContact CD2-CG 4.28Å; F188-L298 HydrophobicContact CE1-CD1 4.32Å; F188-L298 HydrophobicContact CE2-CD1 3.77Å; F188-L298 HydrophobicContact CE2-CD2 4Å; F188-L298 HydrophobicContact CE2-CG 4.47Å; F188-L298 HydrophobicContact CG-CD1 3.41Å; F188-L298 VanDerWaalsContact CG-CD1 3.41Å; F188-L298 HydrophobicContact CZ-CD1 4.26Å; F294-L298 WeakPolarHBondContact O-CG 3.38Å; L295-L298 HydrophobicContact CD2-CD1 3.92Å; L295-L298 WeakPolarHBondContact O-CB 3.43Å; L295-L298 PolarHBondContact O-N 2.9Å; Q296-L298 PolarHBondContact O-N 2.81Å; L298-A302 WeakPolarHBondContact O-CB 3.44Å; L298-L331 HydrophobicContact CD2-CB 3.96Å; L298-T334 HydrophobicContact CD2-CG2 4.17Å; L298-L336 HydrophobicContact CB-CB 3.75Å; L298-L336 HydrophobicContact CB-CD2 4.14Å; L298-L336 HydrophobicContact CB-CG 4.47Å; L298-L336 HydrophobicContact CD1-CB 4.21Å; L298-L336 HydrophobicContact CD1-CD1 4.13Å
299G93.9Very high93.9Very high16 Ų1641.2 Ų41.217%0.16521%0.213CC..SBendtrans94.9155.7179.900000113.2L225 K301 A302L225-G299 CarbonylContact O-C 3.57Å; L225-G299 VanDerWaalsContact O-C 3.32Å; L225-G299 WeakPolarHBondContact O-CA 3.49Å; G299-K301 PolarHBondContact O-N 3.01Å; G299-A302 WeakPolarHBondContact O-CB 3.38Å; G299-A302 PolarHBondContact O-N 3.01Å; G299-A302 VanDerWaalsContact O-N 3.13Å
300P94.2Very high93.4Very high105 Ų10542 Ų4268%0.68222%0.219SC*.THydrogen-bonded Turntrans-64.8-21.5-174.226.2-36.1000114.2C224 L225C224-P300 WeakPolarHBondContact O-CD 3.5Å; L225-P300 HydrophobicContact CD2-CG 4.03Å; L225-P300 VanDerWaalsContact O-CD 3.23Å; L225-P300 WeakPolarHBondContact O-CD 3.44Å
301K94.6Very high92.7Very high126 Ų12646 Ų4655%0.54825%0.252SS..THydrogen-bonded Turntrans-102.110177.2-63.5-167.5-179.7179.40113.5L225 C226 G299 T303L225-K301 HydrophobicContact CB-CD 4.1Å; L225-K301 HydrophobicContact CB-CG 4.24Å; L225-K301 HydrophobicContact CD1-CD 4.28Å; L225-K301 WeakPolarHBondContact O-CB 3.42Å; L225-K301 PolarHBondContact O-N 3.4Å; C226-K301 HydrophobicContact CB-CB 4.09Å; G299-K301 PolarHBondContact O-N 3.01Å; K301-T303 PolarHBondContact O-N 3.21Å
302A94.5Very high91.7Very high16 Ų1647.8 Ų47.813%0.13226%0.262CS..  trans-62.2134.3176.400000111.6L298 G299 F328L298-A302 WeakPolarHBondContact O-CB 3.44Å; G299-A302 WeakPolarHBondContact O-CB 3.38Å; G299-A302 PolarHBondContact O-N 3.01Å; G299-A302 VanDerWaalsContact O-N 3.13Å; A302-F328 HydrophobicContact CB-CE2 4.09Å
303T93.3Very high90.9Very high71 Ų7148.7 Ų48.744%0.43627%0.267SS..  trans-124.7155.2176.273.90000110.3K301 E305 Y306 F328K301-T303 PolarHBondContact O-N 3.21Å; T303-E305 PolarHBondContact O-N 3.13Å; T303-Y306 VanDerWaalsContact O-CD1 3.31Å; T303-Y306 WeakPolarHBondContact O-CD1 3.2Å; T303-F328 WeakPolarHBondContact O-CE2 3.48Å
304M94.6Very high89.9Confident65 Ų6553.5 Ų53.532%0.3230%0.297SS..G310 helixtrans-77.70.4179.6-162.5172.659.600112.6Y306 T307 Q325 F328 H329M304-Y306 VanDerWaalsContact C-N 3.28Å; M304-Y306 PolarHBondContact O-N 3.29Å; M304-T307 HydrophobicContact CG-CG2 3.73Å; M304-T307 WeakPolarHBondContact O-CB 3.41Å; M304-T307 WeakPolarHBondContact O-CG2 3.46Å; M304-T307 PolarHBondContact O-N 3.42Å; M304-T307 VanDerWaalsContact O-N 3.14Å; M304-T307 PolarHBondContact O-OG1 3.27Å; M304-Q325 HydrophobicContact CE-CG 4.5Å; M304-Q325 HydrophobicContact CG-CG 3.86Å; M304-Q325 HydrophobicContact SD-CB 4.02Å; M304-Q325 HydrophobicContact SD-CG 3.6Å; M304-Q325 VanDerWaalsContact SD-CG 3.6Å; M304-F328 HydrophobicContact CB-CD1 3.85Å; M304-F328 HydrophobicContact CB-CD2 4.5Å; M304-F328 HydrophobicContact CB-CE1 3.81Å; M304-F328 HydrophobicContact CB-CE2 4.47Å; M304-F328 HydrophobicContact CB-CG 4.2Å; M304-F328 HydrophobicContact CB-CZ 4.14Å; M304-F328 HydrophobicContact CG-CB 4.4Å; M304-F328 HydrophobicContact CG-CD1 3.82Å; M304-F328 HydrophobicContact CG-CE1 4.3Å; M304-F328 HydrophobicContact CG-CG 4.06Å; M304-F328 HydrophobicContact SD-CD1 4.09Å; M304-H329 PolarHBondContact SD-CE1 3.44Å
305E91.8Very high88.9Confident149 Ų14959.6 Ų59.670%0.69632%0.323SS*.G310 helixtrans-61.6-36.3-174-67.6-178.8160.800112.4T303 T307 K308T303-E305 PolarHBondContact O-N 3.13Å; E305-T307 PolarHBondContact O-N 3.39Å; E305-T307 VanDerWaalsContact O-N 3.11Å; E305-K308 PolarHBondContact O-N 2.69Å
306Y90.9Very high88.1Confident18 Ų1865.8 Ų65.87%0.07135%0.352CS..G310 helixtrans-60-25.9179.582.6-99.7000112.5G292 D293 Q296 T303 M304 K308 N309 F328G292-Y306 WeakPolarHBondContact O-CD2 3.5Å; G292-Y306 WeakPolarHBondContact O-CE2 3.41Å; D293-Y306 HydrophobicContact CB-CE2 4.48Å; D293-Y306 PolarHBondContact O-OH 3.31Å; D293-Y306 WeakPolarHBondContact OD1-CE2 3.49Å; Q296-Y306 HydrophobicContact CB-CD1 3.58Å; Q296-Y306 HydrophobicContact CB-CD2 4.28Å; Q296-Y306 HydrophobicContact CB-CE1 3.67Å; Q296-Y306 HydrophobicContact CB-CE2 4.42Å; Q296-Y306 HydrophobicContact CB-CG 3.9Å; Q296-Y306 HydrophobicContact CG-CG 4.46Å; T303-Y306 VanDerWaalsContact O-CD1 3.31Å; T303-Y306 WeakPolarHBondContact O-CD1 3.2Å; M304-Y306 VanDerWaalsContact C-N 3.28Å; M304-Y306 PolarHBondContact O-N 3.29Å; Y306-K308 PolarHBondContact O-N 2.99Å; Y306-N309 WeakPolarHBondContact O-CB 3.36Å; Y306-N309 PolarHBondContact O-N 3.43Å; Y306-F328 AromaticContact CE1-CD2 3.85Å; Y306-F328 HydrophobicContact CE1-CD2 3.85Å
307T93.3Very high87.5Confident0 Ų066.6 Ų66.60%036%0.356CS..G310 helixtrans-61-22.8-17664.10000112.6M304 E305 R324 Q325 F328M304-T307 HydrophobicContact CG-CG2 3.73Å; M304-T307 WeakPolarHBondContact O-CB 3.41Å; M304-T307 WeakPolarHBondContact O-CG2 3.46Å; M304-T307 PolarHBondContact O-N 3.42Å; M304-T307 VanDerWaalsContact O-N 3.14Å; M304-T307 PolarHBondContact O-OG1 3.27Å; E305-T307 PolarHBondContact O-N 3.39Å; E305-T307 VanDerWaalsContact O-N 3.11Å; T307-R324 HydrophobicContact CG2-CB 3.85Å; T307-Q325 HydrophobicContact CG2-CG 4.05Å; T307-F328 HydrophobicContact CG2-CB 4.4Å
308K91.1Very high86.6Confident148 Ų14871.4 Ų71.464%0.64339%0.389SS*.G310 helixtrans-90.9-6.9177.4-58-177.9-177.8177.40113.5E305 Y306 T310 V321E305-K308 PolarHBondContact O-N 2.69Å; Y306-K308 PolarHBondContact O-N 2.99Å; K308-T310 PolarHBondContact O-N 3.15Å; K308-V321 HydrophobicContact CG-CG1 4.23Å
309N85.8Confident86.1Confident77 Ų7772.9 Ų72.941%0.41241%0.405SS..  trans-81.7107.4178.7-175.4-4000110.2Y306 A311 R324Y306-N309 WeakPolarHBondContact O-CB 3.36Å; Y306-N309 PolarHBondContact O-N 3.43Å; N309-A311 VanDerWaalsContact OD1-CB 3.22Å; N309-A311 WeakPolarHBondContact OD1-CB 3.2Å; N309-A311 PolarHBondContact OD1-N 2.63Å; N309-R324 PolarHBondContact O-NH1 2.69Å
310T82.7Confident85.9Confident40 Ų4072.4 Ų72.425%0.24540%0.398CS..  trans-96.41.2-179.954.10000113.6K308 N312 V313 E316 L320K308-T310 PolarHBondContact O-N 3.15Å; T310-N312 PolarHBondContact O-N 3.37Å; T310-V313 VanDerWaalsContact O-CG2 3.23Å; T310-V313 WeakPolarHBondContact O-CG2 3.41Å; T310-V313 PolarHBondContact O-N 2.87Å; T310-V313 VanDerWaalsContact O-N 3.14Å; T310-E316 WeakPolarHBondContact CB-OE1 3.34Å; T310-E316 HydrophobicContact CG2-CG 4.04Å; T310-E316 PolarHBondContact OG1-OE1 2.83Å; T310-L320 HydrophobicContact CG2-CD2 4.13Å
311A79.7Confident85.8Confident84 Ų8469.8 Ų69.869%0.69438%0.38SS*.THydrogen-bonded Turntrans-60-22-176.500000114.1N309N309-A311 VanDerWaalsContact OD1-CB 3.22Å; N309-A311 WeakPolarHBondContact OD1-CB 3.2Å; N309-A311 PolarHBondContact OD1-N 2.63Å
312N71.8Confident85.8Confident53 Ų5368.9 Ų68.928%0.28338%0.378SS..THydrogen-bonded Turntrans-100.4-0.7-176-66-50.8000114.4T310T310-N312 PolarHBondContact O-N 3.37Å
313V78.5Confident85.8Confident20 Ų2068.9 Ų68.912%0.12138%0.376CS..  trans-97.2146.8176.2-62.80000111.4E287 T310 K315 E316 L320 R324E287-V313 HydrophobicContact CB-CB 4.38Å; E287-V313 HydrophobicContact CB-CG1 4.1Å; E287-V313 HydrophobicContact CG-CG1 4.3Å; T310-V313 VanDerWaalsContact O-CG2 3.23Å; T310-V313 WeakPolarHBondContact O-CG2 3.41Å; T310-V313 PolarHBondContact O-N 2.87Å; T310-V313 VanDerWaalsContact O-N 3.14Å; V313-K315 VanDerWaalsContact C-N 3.32Å; V313-E316 HydrophobicContact CG2-CG 4.23Å; V313-L320 HydrophobicContact CB-CD2 4.35Å; V313-L320 HydrophobicContact CG1-CD1 4.35Å; V313-L320 HydrophobicContact CG1-CD2 3.77Å; V313-L320 HydrophobicContact CG2-CD2 3.82Å; V313-R324 VanDerWaalsContact CG1-NH2 3.3Å
314T73.6Confident85.9Confident102 Ų10265.8 Ų65.863%0.62636%0.356SS*.SBendtrans-70.4-34.4-179.6-43.70000111.4K82 E287K82-T314 PolarHBondContact NZ-OG1 2.92Å; E287-T314 WeakPolarHBondContact OE2-CB 3.25Å; E287-T314 PolarHBondContact OE2-N 2.93Å; E287-T314 PolarHBondContact OE2-OG1 2.95Å
315K77.1Confident86Confident128 Ų12865.2 Ų65.256%0.55735%0.353SS*.SBendtrans-146.6135.5178.5-178.4169167.8-118.30108.9V313 E317V313-K315 VanDerWaalsContact C-N 3.32Å; K315-E317 VanDerWaalsContact CD-OE1 3.28Å; K315-E317 WeakPolarHBondContact CD-OE1 3.14Å; K315-E317 WeakPolarHBondContact CE-OE1 3.37Å; K315-E317 VanDerWaalsContact NZ-CD 3.28Å; K315-E317 IonicContact NZ-OE1 2.84Å; K315-E317 PolarHBondContact NZ-OE1 2.78Å; K315-E317 IonicContact NZ-OE2 3.26Å; K315-E317 PolarHBondContact NZ-OE2 2.6Å; K315-E317 PolarHBondContact O-N 2.94Å
316E80.7Confident86.2Confident132 Ų13262.3 Ų62.362%0.61734%0.337SS*.  trans-76.8104.3174-65.9-171.2-177.400109.5T310 V313T310-E316 WeakPolarHBondContact CB-OE1 3.34Å; T310-E316 HydrophobicContact CG2-CG 4.04Å; T310-E316 PolarHBondContact OG1-OE1 2.83Å; V313-E316 HydrophobicContact CG2-CG 4.23Å
317E83Confident86.5Confident49 Ų4961.4 Ų61.423%0.22933%0.334CS..  trans-94.5147.1177-59.7-65.717800111.3N285 C286 K315 G319 L320N285-E317 WeakPolarHBondContact O-CB 3.43Å; N285-E317 WeakPolarHBondContact O-CG 3.07Å; C286-E317 HydrophobicContact CB-CB 3.92Å; K315-E317 VanDerWaalsContact CD-OE1 3.28Å; K315-E317 WeakPolarHBondContact CD-OE1 3.14Å; K315-E317 WeakPolarHBondContact CE-OE1 3.37Å; K315-E317 VanDerWaalsContact NZ-CD 3.28Å; K315-E317 IonicContact NZ-OE1 2.84Å; K315-E317 PolarHBondContact NZ-OE1 2.78Å; K315-E317 IonicContact NZ-OE2 3.26Å; K315-E317 PolarHBondContact NZ-OE2 2.6Å; K315-E317 PolarHBondContact O-N 2.94Å; E317-G319 PolarHBondContact O-N 2.85Å; E317-L320 WeakPolarHBondContact O-CB 3.36Å; E317-L320 PolarHBondContact O-N 3.35Å
318S77.5Confident86.7Confident100 Ų10061.8 Ų61.870%0.69934%0.336SS*.THydrogen-bonded Turntrans-63.1122.3176.658.70000110.7
319G85.1Confident87.1Confident31 Ų3160.5 Ų60.532%0.3233%0.332SS..THydrogen-bonded Turntrans100.6-5.7179.900000115.1E317 V321 E322 I323E317-G319 PolarHBondContact O-N 2.85Å; G319-V321 VanDerWaalsContact C-N 3.34Å; G319-V321 PolarHBondContact O-N 3.37Å; G319-E322 WeakPolarHBondContact O-CB 3.46Å; G319-E322 PolarHBondContact O-N 2.84Å; G319-I323 PolarHBondContact O-N 3.49Å
320L90.3Very high87.6Confident6 Ų660 Ų603%0.03133%0.329CS..Hα-helixtrans-50.3-51.4177.8174.763.8000112.6C286 E287 I288 T310 V313 E317 E322 I323 R324C286-L320 HydrophobicContact CB-CB 4.14Å; C286-L320 HydrophobicContact CB-CD1 3.97Å; E287-L320 WeakPolarHBondContact O-CD1 3.49Å; I288-L320 HydrophobicContact CD1-CD1 4.37Å; T310-L320 HydrophobicContact CG2-CD2 4.13Å; V313-L320 HydrophobicContact CB-CD2 4.35Å; V313-L320 HydrophobicContact CG1-CD1 4.35Å; V313-L320 HydrophobicContact CG1-CD2 3.77Å; V313-L320 HydrophobicContact CG2-CD2 3.82Å; E317-L320 WeakPolarHBondContact O-CB 3.36Å; E317-L320 PolarHBondContact O-N 3.35Å; L320-E322 VanDerWaalsContact C-N 3.32Å; L320-E322 PolarHBondContact O-N 3.46Å; L320-I323 PolarHBondContact O-N 2.68Å; L320-R324 HydrophobicContact CD1-CG 4.23Å; L320-R324 WeakPolarHBondContact O-CB 3.31Å; L320-R324 WeakPolarHBondContact O-CG 3.45Å; L320-R324 PolarHBondContact O-N 3.21Å
321V92.9Very high88.3Confident51 Ų5158.2 Ų58.231%0.30932%0.317SS..Hα-helixtrans-61.7-41.4-179.7179.30000110.9K308 G319 R324 Q325K308-V321 HydrophobicContact CG-CG1 4.23Å; G319-V321 VanDerWaalsContact C-N 3.34Å; G319-V321 PolarHBondContact O-N 3.37Å; V321-R324 PolarHBondContact O-N 2.93Å; V321-Q325 HydrophobicContact CG1-CG 4.35Å; V321-Q325 WeakPolarHBondContact O-CB 3.35Å; V321-Q325 WeakPolarHBondContact O-CG 3.43Å; V321-Q325 PolarHBondContact O-N 3.17Å
322E93.9Very high89.1Confident107 Ų10760.7 Ų60.750%0.531%0.313SS..Hα-helixtrans-63.4-46.2179.6-170.8-165.5146.700111.4G319 L320 Q325 K326G319-E322 WeakPolarHBondContact O-CB 3.46Å; G319-E322 PolarHBondContact O-N 2.84Å; L320-E322 VanDerWaalsContact C-N 3.32Å; L320-E322 PolarHBondContact O-N 3.46Å; E322-Q325 PolarHBondContact O-N 2.75Å; E322-K326 WeakPolarHBondContact O-CG 3.34Å; E322-K326 PolarHBondContact O-N 3.18Å; E322-K326 WeakPolarHBondContact OE1-CE 3.18Å; E322-K326 IonicContact OE1-NZ 2.71Å; E322-K326 PolarHBondContact OE1-NZ 2.9Å
323I94.6Very high90.1Very high15 Ų1561.7 Ų61.78%0.07734%0.335CS..Hα-helixtrans-64-44.9179.2-68.3168.8000110.3L281 C286 I288 G319 L320 Q325 K326 I327L281-I323 HydrophobicContact CD1-CG2 3.98Å; L281-I323 HydrophobicContact CD2-CG1 4.31Å; C286-I323 WeakPolarHBondContact SG-CD1 3.37Å; I288-I323 HydrophobicContact CD1-CB 4.42Å; I288-I323 HydrophobicContact CD1-CG2 3.64Å; I288-I323 HydrophobicContact CG1-CG2 4.32Å; G319-I323 PolarHBondContact O-N 3.49Å; L320-I323 PolarHBondContact O-N 2.68Å; I323-Q325 VanDerWaalsContact C-N 3.3Å; I323-Q325 PolarHBondContact O-N 3.16Å; I323-K326 WeakPolarHBondContact O-CB 3.39Å; I323-K326 PolarHBondContact O-N 3.47Å; I323-K326 VanDerWaalsContact O-N 3.11Å; I323-I327 HydrophobicContact CG2-CD1 4.09Å; I323-I327 WeakPolarHBondContact O-CG1 3.29Å; I323-I327 PolarHBondContact O-N 3.05Å
324R95.5Very high90.9Very high7 Ų762.1 Ų62.13%0.02634%0.338CS..Hα-helixtrans-60.5-38.4175.2-73.2-179.8165.4177.5-5.2112.7I288 D293 T307 N309 V313 L320 V321 I327 F328I288-R324 HydrophobicContact CD1-CG 4.26Å; D293-R324 VanDerWaalsContact OD1-CD 3.24Å; D293-R324 WeakPolarHBondContact OD1-CD 3.34Å; D293-R324 WeakPolarHBondContact OD1-CG 3.43Å; D293-R324 IonicContact OD1-CZ 3.53Å; D293-R324 IonicContact OD1-NE 3.73Å; D293-R324 PolarHBondContact OD1-NE 3.41Å; D293-R324 IonicContact OD1-NH2 2.8Å; D293-R324 IonicContact OD2-CZ 2.91Å; D293-R324 IonicContact OD2-NE 2.7Å; D293-R324 PolarHBondContact OD2-NE 3.11Å; D293-R324 VanDerWaalsContact OD2-NE 3.15Å; D293-R324 IonicContact OD2-NH2 2.78Å; T307-R324 HydrophobicContact CG2-CB 3.85Å; N309-R324 PolarHBondContact O-NH1 2.69Å; V313-R324 VanDerWaalsContact CG1-NH2 3.3Å; L320-R324 HydrophobicContact CD1-CG 4.23Å; L320-R324 WeakPolarHBondContact O-CB 3.31Å; L320-R324 WeakPolarHBondContact O-CG 3.45Å; L320-R324 PolarHBondContact O-N 3.21Å; V321-R324 PolarHBondContact O-N 2.93Å; R324-I327 PolarHBondContact O-N 3.3Å; R324-F328 WeakPolarHBondContact O-CB 3.24Å; R324-F328 PolarHBondContact O-N 2.91Å
325Q96.3Very high91.8Very high53 Ų5360.1 Ų60.125%0.24833%0.327CS..Hα-helixtrans-65.5-40.7173.8-71.9177.6-3.200111.8M304 T307 V321 E322 I323 F328 H329M304-Q325 HydrophobicContact CE-CG 4.5Å; M304-Q325 HydrophobicContact CG-CG 3.86Å; M304-Q325 HydrophobicContact SD-CB 4.02Å; M304-Q325 HydrophobicContact SD-CG 3.6Å; M304-Q325 VanDerWaalsContact SD-CG 3.6Å; T307-Q325 HydrophobicContact CG2-CG 4.05Å; V321-Q325 HydrophobicContact CG1-CG 4.35Å; V321-Q325 WeakPolarHBondContact O-CB 3.35Å; V321-Q325 WeakPolarHBondContact O-CG 3.43Å; V321-Q325 PolarHBondContact O-N 3.17Å; E322-Q325 PolarHBondContact O-N 2.75Å; I323-Q325 VanDerWaalsContact C-N 3.3Å; I323-Q325 PolarHBondContact O-N 3.16Å; Q325-F328 WeakPolarHBondContact O-CB 3.27Å; Q325-F328 PolarHBondContact O-N 2.7Å; Q325-H329 PolarHBondContact O-N 3.01Å; Q325-H329 PolarHBondContact O-ND1 3.23Å
326K97Very high92.7Very high87 Ų8754.6 Ų54.638%0.37830%0.303SS..Hα-helixtrans-61.7-43.4174.7-73.5172.8171.2163.80111.7L277 L281 E322 I323 H329 L330L277-K326 HydrophobicContact CD1-CB 4.14Å; L281-K326 HydrophobicContact CD2-CD 3.54Å; E322-K326 WeakPolarHBondContact O-CG 3.34Å; E322-K326 PolarHBondContact O-N 3.18Å; E322-K326 WeakPolarHBondContact OE1-CE 3.18Å; E322-K326 IonicContact OE1-NZ 2.71Å; E322-K326 PolarHBondContact OE1-NZ 2.9Å; I323-K326 WeakPolarHBondContact O-CB 3.39Å; I323-K326 PolarHBondContact O-N 3.47Å; I323-K326 VanDerWaalsContact O-N 3.11Å; K326-H329 PolarHBondContact O-N 3.27Å; K326-L330 WeakPolarHBondContact O-CB 3.1Å; K326-L330 PolarHBondContact O-N 2.84Å
327I97.1Very high93.4Very high0 Ų050.1 Ų50.10%028%0.284CS..Hα-helixtrans-58.2-48.6172.9-67.3166.5000110.5L277 I288 D293 F294 I323 R324 H329 L330 L331L277-I327 HydrophobicContact CD2-CB 4.39Å; L277-I327 HydrophobicContact CD2-CG1 3.67Å; I288-I327 HydrophobicContact CD1-CD1 4.01Å; I288-I327 HydrophobicContact CG1-CD1 4.32Å; I288-I327 HydrophobicContact CG2-CD1 3.67Å; D293-I327 HydrophobicContact CB-CD1 4.49Å; D293-I327 WeakPolarHBondContact O-CG2 3.2Å; F294-I327 HydrophobicContact CD1-CG2 3.84Å; F294-I327 HydrophobicContact CE1-CD1 4.29Å; F294-I327 HydrophobicContact CE1-CG2 4.23Å; I323-I327 HydrophobicContact CG2-CD1 4.09Å; I323-I327 WeakPolarHBondContact O-CG1 3.29Å; I323-I327 PolarHBondContact O-N 3.05Å; R324-I327 PolarHBondContact O-N 3.3Å; I327-H329 PolarHBondContact O-N 2.88Å; I327-L330 PolarHBondContact O-N 3.31Å; I327-L331 HydrophobicContact CG2-CD1 3.83Å; I327-L331 HydrophobicContact CG2-CG 4.43Å; I327-L331 WeakPolarHBondContact O-CB 3.22Å; I327-L331 WeakPolarHBondContact O-CG 3.47Å; I327-L331 PolarHBondContact O-N 3.1Å
328F97.6Very high94.1Very high8 Ų847.8 Ų47.84%0.03527%0.273CS..Hα-helixtrans-56-50.4178177.5-95.5000112.2A297 A302 T303 M304 Y306 T307 R324 Q325 L330 L331 K332A297-F328 HydrophobicContact CB-CB 4.47Å; A297-F328 HydrophobicContact CB-CD2 3.92Å; A302-F328 HydrophobicContact CB-CE2 4.09Å; T303-F328 WeakPolarHBondContact O-CE2 3.48Å; M304-F328 HydrophobicContact CB-CD1 3.85Å; M304-F328 HydrophobicContact CB-CD2 4.5Å; M304-F328 HydrophobicContact CB-CE1 3.81Å; M304-F328 HydrophobicContact CB-CE2 4.47Å; M304-F328 HydrophobicContact CB-CG 4.2Å; M304-F328 HydrophobicContact CB-CZ 4.14Å; M304-F328 HydrophobicContact CG-CB 4.4Å; M304-F328 HydrophobicContact CG-CD1 3.82Å; M304-F328 HydrophobicContact CG-CE1 4.3Å; M304-F328 HydrophobicContact CG-CG 4.06Å; M304-F328 HydrophobicContact SD-CD1 4.09Å; Y306-F328 AromaticContact CE1-CD2 3.85Å; Y306-F328 HydrophobicContact CE1-CD2 3.85Å; T307-F328 HydrophobicContact CG2-CB 4.4Å; R324-F328 WeakPolarHBondContact O-CB 3.24Å; R324-F328 PolarHBondContact O-N 2.91Å; Q325-F328 WeakPolarHBondContact O-CB 3.27Å; Q325-F328 PolarHBondContact O-N 2.7Å; F328-L330 VanDerWaalsContact C-N 3.32Å; F328-L330 PolarHBondContact O-N 2.85Å; F328-L331 PolarHBondContact O-N 2.99Å; F328-K332 HydrophobicContact CE1-CD 3.88Å; F328-K332 HydrophobicContact CZ-CD 4.12Å; F328-K332 HydrophobicContact CZ-CG 4.49Å; F328-K332 VanDerWaalsContact O-CB 3.26Å; F328-K332 WeakPolarHBondContact O-CB 3.47Å; F328-K332 PolarHBondContact O-N 2.86Å
329H97.6Very high95Very high121 Ų12143.1 Ų43.156%0.5624%0.24SC*.Hα-helixtrans-64.8-35.9-178.8-71.298.8000112.8M304 Q325 K326 I327M304-H329 PolarHBondContact SD-CE1 3.44Å; Q325-H329 PolarHBondContact O-N 3.01Å; Q325-H329 PolarHBondContact O-ND1 3.23Å; K326-H329 PolarHBondContact O-N 3.27Å; I327-H329 PolarHBondContact O-N 2.88Å
330L97.8Very high95.5Very high66 Ų6641.6 Ų41.635%0.34623%0.225SC..Hα-helixtrans-64.2-46.7175.3-178.181.2000111.5L274 L277 K326 I327 F328L274-L330 HydrophobicContact CD2-CD2 3.94Å; L274-L330 HydrophobicContact CG-CD2 4.41Å; L277-L330 HydrophobicContact CB-CD2 3.85Å; L277-L330 HydrophobicContact CD2-CD2 3.84Å; L277-L330 HydrophobicContact CG-CD2 4.43Å; K326-L330 WeakPolarHBondContact O-CB 3.1Å; K326-L330 PolarHBondContact O-N 2.84Å; I327-L330 PolarHBondContact O-N 3.31Å; F328-L330 VanDerWaalsContact C-N 3.32Å; F328-L330 PolarHBondContact O-N 2.85Å
331L97.3Very high95.7Very high2 Ų241.3 Ų41.31%0.0122%0.223CC..Hα-helixtrans-84.8-22.5-172-68.6-177.6000113.4F188 T270 L274 F294 A297 L298 I327 F328 G333 T334F188-L331 HydrophobicContact CE2-CD2 4.07Å; F188-L331 HydrophobicContact CZ-CD2 4.44Å; T270-L331 HydrophobicContact CG2-CD2 4.24Å; L274-L331 HydrophobicContact CD2-CD1 4.31Å; L274-L331 HydrophobicContact CD2-CD2 4.06Å; L274-L331 HydrophobicContact CD2-CG 4.35Å; L274-L331 HydrophobicContact CG-CD2 4.28Å; F294-L331 HydrophobicContact CB-CD1 3.95Å; F294-L331 HydrophobicContact CD1-CD1 4.19Å; F294-L331 HydrophobicContact CG-CD1 4.39Å; A297-L331 HydrophobicContact CB-CB 3.78Å; A297-L331 HydrophobicContact CB-CD1 4.08Å; L298-L331 HydrophobicContact CD2-CB 3.96Å; I327-L331 HydrophobicContact CG2-CD1 3.83Å; I327-L331 HydrophobicContact CG2-CG 4.43Å; I327-L331 WeakPolarHBondContact O-CB 3.22Å; I327-L331 WeakPolarHBondContact O-CG 3.47Å; I327-L331 PolarHBondContact O-N 3.1Å; F328-L331 PolarHBondContact O-N 2.99Å; L331-G333 PolarHBondContact O-N 2.74Å; L331-T334 WeakPolarHBondContact O-CB 3.19Å; L331-T334 PolarHBondContact O-N 3.14Å; L331-T334 PolarHBondContact O-OG1 3.17Å
332K95.7Very high95.7Very high136 Ų13639.5 Ų39.559%0.59121%0.212SC*.THydrogen-bonded Turntrans-53.1126.3-179.1-175.8179.8-176.2-179.50111.5F328 T334F328-K332 HydrophobicContact CE1-CD 3.88Å; F328-K332 HydrophobicContact CZ-CD 4.12Å; F328-K332 HydrophobicContact CZ-CG 4.49Å; F328-K332 VanDerWaalsContact O-CB 3.26Å; F328-K332 WeakPolarHBondContact O-CB 3.47Å; F328-K332 PolarHBondContact O-N 2.86Å; K332-T334 VanDerWaalsContact C-N 3.33Å
333G93Very high95.6Very high74 Ų7434.9 Ų34.976%0.76319%0.191SC*.THydrogen-bonded Turntrans88.2-4.9-177.500000114.3L331L331-G333 PolarHBondContact O-N 2.74Å
334T95.1Very high95.5Very high30 Ų3034.7 Ų34.718%0.18419%0.191CC..  trans-70.6133.7167.5-56.20000109.4F188 T270 L298 L331 K332F188-T334 HydrophobicContact CD2-CG2 4.11Å; F188-T334 HydrophobicContact CE2-CG2 4.43Å; T270-T334 HydrophobicContact CG2-CG2 4.17Å; L298-T334 HydrophobicContact CD2-CG2 4.17Å; L331-T334 WeakPolarHBondContact O-CB 3.19Å; L331-T334 PolarHBondContact O-N 3.14Å; L331-T334 PolarHBondContact O-OG1 3.17Å; K332-T334 VanDerWaalsContact C-N 3.33Å
335P92.8Very high95.3Very high60 Ų6036.2 Ų36.239%0.3920%0.197SC..  trans-62.6138.1178.1-23.734.3000112.8F188F188-P335 PolarHBondContact N-O 3.28Å
336L95.3Very high95Very high11 Ų1135.5 Ų35.56%0.05819%0.193CC..EExtended strand (participates in β ladder)trans-112104.4164.3175.559.6000108.4F188 A190 F206 C224 F227 L295 L298 V338F188-L336 HydrophobicContact CB-CD1 3.96Å; A190-L336 HydrophobicContact CB-CD1 4.32Å; F206-L336 HydrophobicContact CD1-CD2 4.49Å; F206-L336 HydrophobicContact CE1-CD2 4.43Å; C224-L336 HydrophobicContact CB-CD2 4.06Å; C224-L336 HydrophobicContact CB-CG 4.11Å; F227-L336 HydrophobicContact CB-CD2 4.4Å; L295-L336 HydrophobicContact CD2-CD1 4.26Å; L298-L336 HydrophobicContact CB-CB 3.75Å; L298-L336 HydrophobicContact CB-CD2 4.14Å; L298-L336 HydrophobicContact CB-CG 4.47Å; L298-L336 HydrophobicContact CD1-CB 4.21Å; L298-L336 HydrophobicContact CD1-CD1 4.13Å; L336-V338 HydrophobicContact CG-CG2 4.28Å
337N95.8Very high94.7Very high38 Ų3832.2 Ų32.220%0.20318%0.179CC..EExtended strand (participates in β ladder)trans-90.2145.6172.9-46.7-86000108.4K185 P186 F188 T189 A190K185-N337 HydrophobicContact CB-CB 4.48Å; K185-N337 WeakPolarHBondContact CB-ND2 3.38Å; P186-N337 PolarHBondContact O-ND2 2.89Å; P186-N337 VanDerWaalsContact O-ND2 3.08Å; F188-N337 PolarHBondContact O-N 3.37Å; F188-N337 PolarHBondContact O-ND2 2.98Å; T189-N337 CarbonylContact C-O 3.48Å; T189-N337 VanDerWaalsContact CA-O 3.29Å; T189-N337 WeakPolarHBondContact CA-O 3.42Å; T189-N337 HydrophobicContact CG2-CB 4.25Å; A190-N337 PolarHBondContact N-O 3.36Å
338V97.2Very high94.4Very high1 Ų134 Ų341%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-131.2130.2178.1-1710000110A190 A192 F206 A222 C224 L336 L340A190-V338 WeakPolarHBondContact O-CA 3.34Å; A192-V338 HydrophobicContact CB-CG1 3.41Å; A192-V338 VanDerWaalsContact CB-CG1 3.41Å; F206-V338 HydrophobicContact CD1-CG1 4.44Å; F206-V338 HydrophobicContact CD1-CG2 3.82Å; F206-V338 HydrophobicContact CD2-CG1 4.19Å; F206-V338 HydrophobicContact CE1-CG2 4.05Å; F206-V338 HydrophobicContact CE2-CG1 4.32Å; F206-V338 HydrophobicContact CG-CG1 4.25Å; F206-V338 HydrophobicContact CG-CG2 4.31Å; A222-V338 PolarHBondContact N-O 2.83Å; A222-V338 PolarHBondContact O-N 3.42Å; C224-V338 HydrophobicContact CB-CG2 3.52Å; L336-V338 HydrophobicContact CG-CG2 4.28Å; V338-L340 HydrophobicContact CB-CD2 4.46Å; V338-L340 HydrophobicContact CG1-CD2 3.69Å
339I97.1Very high94Very high1 Ų133.9 Ų33.91%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-101.2111.3171.7-56.5176.7000107.1V181 F183 T189 A190 L191 A192 M219 E220 L341V181-I339 HydrophobicContact CG1-CD1 3.71Å; F183-I339 HydrophobicContact CE1-CD1 4.5Å; T189-I339 HydrophobicContact CG2-CD1 3.69Å; T189-I339 HydrophobicContact CG2-CG1 3.84Å; A190-I339 PolarHBondContact O-N 2.93Å; L191-I339 HydrophobicContact CD2-CB 3.88Å; L191-I339 HydrophobicContact CD2-CD1 4.15Å; L191-I339 HydrophobicContact CD2-CG1 4.45Å; L191-I339 HydrophobicContact CD2-CG2 4.35Å; A192-I339 PolarHBondContact N-O 2.93Å; M219-I339 HydrophobicContact CG-CG2 3.68Å; M219-I339 HydrophobicContact SD-CG2 3.97Å; E220-I339 CarbonylContact O-C 3.55Å; E220-I339 WeakPolarHBondContact O-CA 3.35Å; I339-L341 HydrophobicContact CG2-CD2 4.24Å; I339-L341 PolarHBondContact O-N 2.97Å
340L95.5Very high93.6Very high0 Ų028.1 Ų28.10%016%0.16CC..EExtended strand (participates in β ladder)trans-80.8117.9177-46.7-173000108.2A192 L208 M219 E220 A222 Y259 V338A192-L340 HydrophobicContact CB-CD2 3.77Å; L208-L340 HydrophobicContact CD1-CD1 3.69Å; L208-L340 HydrophobicContact CD1-CD2 3.74Å; L208-L340 HydrophobicContact CD1-CG 4.39Å; L208-L340 HydrophobicContact CD2-CD2 4.3Å; M219-L340 VanDerWaalsContact CA-O 3.26Å; M219-L340 WeakPolarHBondContact CA-O 3.34Å; E220-L340 HydrophobicContact CG-CB 3.82Å; E220-L340 HydrophobicContact CG-CD1 3.75Å; E220-L340 HydrophobicContact CG-CG 3.95Å; E220-L340 PolarHBondContact N-O 3.19Å; E220-L340 PolarHBondContact O-N 3.27Å; E220-L340 WeakPolarHBondContact OE1-CD1 3.27Å; A222-L340 HydrophobicContact CB-CD1 3.84Å; A222-L340 HydrophobicContact CB-CD2 4.08Å; A222-L340 HydrophobicContact CB-CG 3.88Å; Y259-L340 HydrophobicContact CD1-CB 4.46Å; Y259-L340 HydrophobicContact CD1-CD2 3.97Å; Y259-L340 HydrophobicContact CE1-CB 3.94Å; Y259-L340 HydrophobicContact CE1-CD1 4.09Å; Y259-L340 HydrophobicContact CE1-CD2 4.15Å; Y259-L340 HydrophobicContact CE1-CG 4.28Å; Y259-L340 HydrophobicContact CE2-CD1 4.06Å; Y259-L340 HydrophobicContact CG-CD2 4.17Å; V338-L340 HydrophobicContact CB-CD2 4.46Å; V338-L340 HydrophobicContact CG1-CD2 3.69Å
341L94.9Very high93.3Very high0 Ų026.1 Ų26.10%015%0.151CC..EExtended strand (participates in β ladder)trans-99.685.8174.3-63.3174.3000107.9Y173 I175 V181 L191 A192 P194 M219 I339 N343 S344Y173-L341 HydrophobicContact CD1-CD1 4.33Å; Y173-L341 HydrophobicContact CD2-CD1 4.37Å; Y173-L341 HydrophobicContact CD2-CD2 4.32Å; Y173-L341 HydrophobicContact CG-CD1 3.96Å; I175-L341 HydrophobicContact CG2-CD2 4.07Å; V181-L341 HydrophobicContact CG2-CD2 4.24Å; L191-L341 HydrophobicContact CB-CD1 4.13Å; L191-L341 HydrophobicContact CD1-CD1 4Å; L191-L341 HydrophobicContact CD2-CD1 4.37Å; L191-L341 HydrophobicContact CG-CD1 4.39Å; A192-L341 PolarHBondContact O-N 3.4Å; P194-L341 WeakPolarHBondContact CD-O 3.31Å; M219-L341 HydrophobicContact CG-CD2 4.11Å; I339-L341 HydrophobicContact CG2-CD2 4.24Å; I339-L341 PolarHBondContact O-N 2.97Å; L341-N343 VanDerWaalsContact C-N 3.27Å; L341-N343 PolarHBondContact O-N 3.38Å; L341-S344 WeakPolarHBondContact O-CB 3.16Å; L341-S344 PolarHBondContact O-OG 3.11Å
342N91.8Very high93.3Very high12 Ų1226.8 Ų26.86%0.06416%0.155CC..SBendtrans-70.4-25.5-172.9-73.6-26.6000112.6P217 E218 F250 Y259P217-N342 WeakPolarHBondContact O-CB 3.34Å; P217-N342 PolarHBondContact O-ND2 3.35Å; E218-N342 PolarHBondContact O-N 3.13Å; F250-N342 VanDerWaalsContact CD1-O 3.24Å; F250-N342 WeakPolarHBondContact CD1-O 3.5Å; F250-N342 HydrophobicContact CE1-CB 3.71Å; F250-N342 WeakPolarHBondContact CE1-O 3.29Å; Y259-N342 WeakPolarHBondContact CE1-OD1 3.3Å; Y259-N342 PolarHBondContact OH-OD1 3.34Å
343N91.8Very high93.3Very high11 Ų1121.9 Ų21.96%0.05914%0.138CC..SBendtrans-105.780.9167.7-169.6-0.8000110C8 L12 Y173 S174 E218 L341C8-N343 PolarHBondContact SG-OD1 3.4Å; L12-N343 WeakPolarHBondContact CD2-O 3.2Å; Y173-N343 WeakPolarHBondContact CA-O 3.37Å; S174-N343 PolarHBondContact N-O 3.05Å; S174-N343 PolarHBondContact OG-ND2 3.02Å; E218-N343 HydrophobicContact CB-CB 4.32Å; E218-N343 HydrophobicContact CG-CB 4.06Å; E218-N343 PolarHBondContact O-N 3.46Å; E218-N343 WeakPolarHBondContact OE2-CB 3.48Å; E218-N343 PolarHBondContact OE2-ND2 3.07Å; L341-N343 VanDerWaalsContact C-N 3.27Å; L341-N343 PolarHBondContact O-N 3.38Å
344S93.1Very high93.4Very high11 Ų1121 Ų218%0.07711%0.113CC..EExtended strand (participates in β ladder)trans-148.5163179.766.60000112.5L172 H193 L341L172-S344 CarbonylContact O-C 3.58Å; L172-S344 WeakPolarHBondContact O-CA 3.28Å; L172-S344 WeakPolarHBondContact O-CB 3.43Å; H193-S344 VanDerWaalsContact ND1-CB 3.27Å; H193-S344 WeakPolarHBondContact ND1-CB 3.45Å; H193-S344 PolarHBondContact ND1-OG 3.19Å; L341-S344 WeakPolarHBondContact O-CB 3.16Å; L341-S344 PolarHBondContact O-OG 3.11Å
345K91.5Very high93.4Very high39 Ų3919.6 Ų19.617%0.1711%0.105CC..EExtended strand (participates in β ladder)trans-137.9144.7170.9-72.5-164.7-176.7175.30110.8L12 L172 Y347 E368L12-K345 HydrophobicContact CD1-CB 4.39Å; L12-K345 HydrophobicContact CD1-CD 4.11Å; L12-K345 HydrophobicContact CD1-CG 3.82Å; L172-K345 PolarHBondContact N-O 3.14Å; L172-K345 PolarHBondContact O-N 2.88Å; K345-Y347 HydrophobicContact CB-CD2 4.15Å; K345-Y347 HydrophobicContact CB-CE2 3.58Å; K345-Y347 HydrophobicContact CD-CE2 3.87Å; K345-Y347 WeakPolarHBondContact CD-OH 3.26Å; K345-Y347 HydrophobicContact CG-CE2 4.4Å; K345-Y347 PolarHBondContact NZ-OH 2.9Å; K345-E368 WeakPolarHBondContact CD-OE1 3.47Å; K345-E368 WeakPolarHBondContact CD-OE2 3.4Å; K345-E368 WeakPolarHBondContact CE-OE1 3.34Å; K345-E368 IonicContact NZ-OE1 2.82Å; K345-E368 PolarHBondContact NZ-OE1 3.41Å; K345-E368 IonicContact NZ-OE2 3.32Å
346F89.8Confident93.5Very high37 Ų3717.1 Ų17.116%0.1629%0.089CC..EExtended strand (participates in β ladder)trans-117.2120.9176.9178.7-88.2000108.3D169 E171 H203 H348D169-F346 HydrophobicContact CB-CD2 4.45Å; D169-F346 HydrophobicContact CB-CE2 3.5Å; D169-F346 VanDerWaalsContact CB-CE2 3.5Å; D169-F346 HydrophobicContact CB-CZ 3.6Å; E171-F346 HydrophobicContact CG-CD2 4.21Å; H203-F346 AromaticContact CD2-CE1 3.82Å; H203-F346 AromaticContact CD2-CZ 3.84Å; H203-F346 AromaticContact CE1-CE1 3.91Å; H203-F346 AromaticContact NE2-CE1 3.19Å; H203-F346 WeakPolarHBondContact NE2-CE1 3.44Å; H203-F346 AromaticContact NE2-CZ 3.47Å; H203-F346 WeakPolarHBondContact NE2-CZ 3.21Å; F346-H348 HydrophobicContact CE1-CB 4Å
347Y91.9Very high93.6Very high18 Ų1820.9 Ų20.97%0.07110%0.104CC..EExtended strand (participates in β ladder)trans-117.9130.1177.7-67.1-79.9000109.1D169 I170 L172 K345 H358 D362 F365 E368D169-Y347 CarbonylContact C-O 3.53Å; D169-Y347 WeakPolarHBondContact CA-O 3.43Å; I170-Y347 HydrophobicContact CG2-CD2 4.49Å; I170-Y347 PolarHBondContact N-O 2.8Å; I170-Y347 PolarHBondContact O-N 3.11Å; L172-Y347 HydrophobicContact CD1-CD2 4.44Å; L172-Y347 HydrophobicContact CD1-CE2 4.08Å; K345-Y347 HydrophobicContact CB-CD2 4.15Å; K345-Y347 HydrophobicContact CB-CE2 3.58Å; K345-Y347 HydrophobicContact CD-CE2 3.87Å; K345-Y347 WeakPolarHBondContact CD-OH 3.26Å; K345-Y347 HydrophobicContact CG-CE2 4.4Å; K345-Y347 PolarHBondContact NZ-OH 2.9Å; Y347-H358 AromaticContact CD1-CE1 3.57Å; Y347-H358 AromaticContact CD1-ND1 3.86Å; Y347-D362 WeakPolarHBondContact CE1-OD2 3.46Å; Y347-F365 HydrophobicContact CD1-CB 4.22Å; Y347-F365 AromaticContact CD1-CD2 3.63Å; Y347-F365 HydrophobicContact CD1-CD2 3.63Å; Y347-F365 HydrophobicContact CD1-CE2 4.4Å; Y347-F365 HydrophobicContact CD1-CG 4.28Å; Y347-F365 AromaticContact CD2-CD2 3.56Å; Y347-F365 HydrophobicContact CD2-CD2 3.56Å; Y347-F365 HydrophobicContact CD2-CE2 4.04Å; Y347-F365 HydrophobicContact CE1-CB 3.73Å; Y347-F365 AromaticContact CE1-CD2 3.88Å; Y347-F365 HydrophobicContact CE1-CD2 3.88Å; Y347-F365 HydrophobicContact CE1-CG 4.25Å; Y347-F365 AromaticContact CE2-CD2 3.8Å; Y347-F365 HydrophobicContact CE2-CD2 3.8Å; Y347-F365 AromaticContact CG-CD2 3.44Å; Y347-F365 HydrophobicContact CG-CD2 3.44Å; Y347-F365 VanDerWaalsContact CG-CD2 3.44Å; Y347-F365 AromaticContact CG-CE2 3.87Å; Y347-F365 HydrophobicContact CG-CE2 3.87Å; Y347-F365 HydrophobicContact CG-CG 4.48Å; Y347-F365 AromaticContact CZ-CD2 3.94Å; Y347-F365 PolarHBondContact OH-N 3.3Å; Y347-E368 PolarHBondContact OH-OE2 2.95Å; Y347-E368 VanDerWaalsContact OH-OE2 3.12Å
348H89.5Confident93.6Very high38 Ų3819.9 Ų19.918%0.17610%0.099CC..EExtended strand (participates in β ladder)trans-109.6126177.7174.5-100000109.3D168 F346 G350 E354 H358D168-H348 IonicContact OD2-NE2 3.78Å; F346-H348 HydrophobicContact CE1-CB 4Å; H348-G350 WeakPolarHBondContact CE1-CA 3.36Å; H348-G350 PolarHBondContact CE1-N 3.22Å; H348-E354 IonicContact CE1-OE1 3.98Å; H348-E354 IonicContact CE1-OE2 3.94Å; H348-E354 PolarHBondContact CE1-OE2 3.07Å; H348-E354 IonicContact CG-OE1 2.74Å; H348-E354 IonicContact CG-OE2 2.86Å; H348-E354 IonicContact ND1-OE1 3.47Å; H348-E354 PolarHBondContact ND1-OE1 3.31Å; H348-E354 IonicContact ND1-OE2 3.59Å; H348-E354 PolarHBondContact ND1-OE2 3.21Å; H348-H358 PolarHBondContact O-NE2 3.31Å
349I90.1Very high93.5Very high6 Ų619.9 Ų19.93%0.03110%0.099CC..  trans-120.960.5-177-52-174.6000108M132 D168 I170 Y355 F365M132-I349 HydrophobicContact CE-CG2 4.33Å; D168-I349 PolarHBondContact O-N 3.22Å; I170-I349 HydrophobicContact CD1-CD1 3.65Å; I349-Y355 HydrophobicContact CG2-CD2 3.51Å; I349-Y355 HydrophobicContact CG2-CE2 4.45Å; I349-Y355 HydrophobicContact CG2-CG 4.27Å; I349-F365 HydrophobicContact CD1-CE1 4.31Å; I349-F365 HydrophobicContact CD1-CE2 4.24Å; I349-F365 HydrophobicContact CD1-CZ 3.62Å
350G88.2Confident93.5Very high0 Ų020.4 Ų20.40%010%0.102CC..  trans-109.3-11.9-17200000115.1R120 K129 H348 E354R120-G350 WeakPolarHBondContact CB-O 3.42Å; K129-G350 PolarHBondContact NZ-O 2.9Å; H348-G350 WeakPolarHBondContact CE1-CA 3.36Å; H348-G350 PolarHBondContact CE1-N 3.22Å; G350-E354 WeakPolarHBondContact CA-OE2 3.45Å; G350-E354 PolarHBondContact N-OE2 2.86Å
351T92.9Very high93.4Very high24 Ų2426 Ų2615%0.14713%0.128CC..SBendtrans-125.5156.7178.777.80000112.9R120 M121 S353 E354 Y355R120-T351 HydrophobicContact CB-CG2 3.86Å; R120-T351 HydrophobicContact CG-CG2 4.4Å; R120-T351 CarbonylContact O-C 3.39Å; R120-T351 VanDerWaalsContact O-CA 3.28Å; R120-T351 WeakPolarHBondContact O-CA 3.5Å; M121-T351 WeakPolarHBondContact CE-O 3.17Å; T351-S353 VanDerWaalsContact C-N 3.28Å; T351-S353 PolarHBondContact O-N 2.95Å; T351-E354 WeakPolarHBondContact CG2-OE2 3.39Å; T351-E354 PolarHBondContact N-OE2 3.42Å; T351-E354 PolarHBondContact O-N 3.44Å; T351-E354 WeakPolarHBondContact OG1-CB 3.47Å; T351-E354 VanDerWaalsContact OG1-CG 3.25Å; T351-E354 WeakPolarHBondContact OG1-CG 3.47Å; T351-E354 PolarHBondContact OG1-N 2.77Å; T351-E354 VanDerWaalsContact OG1-N 3.13Å; T351-E354 PolarHBondContact OG1-OE2 3.4Å; T351-Y355 WeakPolarHBondContact O-CB 3.37Å; T351-Y355 PolarHBondContact O-N 2.94Å
352T95.8Very high93.4Very high16 Ų1627 Ų2710%0.09813%0.133CC..Hα-helixtrans-52.2-44.5174.637.40000112.3R120 M121 Y355 L356 I422 F439 I460R120-T352 PolarHBondContact O-N 3.31Å; M121-T352 HydrophobicContact SD-CG2 4.22Å; T352-Y355 PolarHBondContact O-N 3.42Å; T352-L356 PolarHBondContact O-N 2.89Å; T352-I422 HydrophobicContact CG2-CD1 3.84Å; T352-F439 HydrophobicContact CG2-CD2 3.79Å; T352-F439 HydrophobicContact CG2-CE2 4.23Å; T352-F439 HydrophobicContact CG2-CG 4.5Å; T352-I460 PolarHBondContact OG1-O 3.06Å
353S95.6Very high93.4Very high33 Ų3334.5 Ų34.523%0.23117%0.168CC..Hα-helixtrans-66.7-44.2179-40.80000112.4T351 Y355 L356 F357 E461T351-S353 VanDerWaalsContact C-N 3.28Å; T351-S353 PolarHBondContact O-N 2.95Å; S353-Y355 VanDerWaalsContact C-N 3.33Å; S353-Y355 PolarHBondContact O-N 3.48Å; S353-L356 PolarHBondContact O-N 2.95Å; S353-F357 VanDerWaalsContact O-CB 3.26Å; S353-F357 WeakPolarHBondContact O-CB 3.44Å; S353-F357 PolarHBondContact O-N 3.48Å; S353-E461 WeakPolarHBondContact CB-OE1 3.2Å; S353-E461 VanDerWaalsContact OG-CD 3.28Å; S353-E461 PolarHBondContact OG-OE1 3.34Å; S353-E461 PolarHBondContact OG-OE2 3.17Å
354E94.9Very high93.4Very high54 Ų5435.7 Ų35.725%0.25218%0.179SC..Hα-helixtrans-62-42.2176-72165.6164.700111.4H348 G350 T351 F357 H358H348-E354 IonicContact CE1-OE1 3.98Å; H348-E354 IonicContact CE1-OE2 3.94Å; H348-E354 PolarHBondContact CE1-OE2 3.07Å; H348-E354 IonicContact CG-OE1 2.74Å; H348-E354 IonicContact CG-OE2 2.86Å; H348-E354 IonicContact ND1-OE1 3.47Å; H348-E354 PolarHBondContact ND1-OE1 3.31Å; H348-E354 IonicContact ND1-OE2 3.59Å; H348-E354 PolarHBondContact ND1-OE2 3.21Å; G350-E354 WeakPolarHBondContact CA-OE2 3.45Å; G350-E354 PolarHBondContact N-OE2 2.86Å; T351-E354 WeakPolarHBondContact CG2-OE2 3.39Å; T351-E354 PolarHBondContact N-OE2 3.42Å; T351-E354 PolarHBondContact O-N 3.44Å; T351-E354 WeakPolarHBondContact OG1-CB 3.47Å; T351-E354 VanDerWaalsContact OG1-CG 3.25Å; T351-E354 WeakPolarHBondContact OG1-CG 3.47Å; T351-E354 PolarHBondContact OG1-N 2.77Å; T351-E354 VanDerWaalsContact OG1-N 3.13Å; T351-E354 PolarHBondContact OG1-OE2 3.4Å; E354-F357 PolarHBondContact O-N 2.64Å; E354-H358 WeakPolarHBondContact O-CB 3.18Å; E354-H358 PolarHBondContact O-CD2 2.94Å; E354-H358 PolarHBondContact O-N 3.29Å
355Y95.6Very high93.4Very high1 Ų135.2 Ų35.20%0.00418%0.176CC..Hα-helixtrans-65-43179-175.8-114.2000112.8M121 M132 I349 T351 T352 S353 L359 M390 V405 E407 I422M121-Y355 HydrophobicContact CE-CD1 4.25Å; M121-Y355 HydrophobicContact CE-CD2 4.48Å; M121-Y355 HydrophobicContact CE-CG 3.8Å; M132-Y355 HydrophobicContact CE-CD2 3.46Å; M132-Y355 VanDerWaalsContact CE-CD2 3.46Å; M132-Y355 HydrophobicContact CE-CE2 3.34Å; M132-Y355 HydrophobicContact CE-CG 4.15Å; I349-Y355 HydrophobicContact CG2-CD2 3.51Å; I349-Y355 HydrophobicContact CG2-CE2 4.45Å; I349-Y355 HydrophobicContact CG2-CG 4.27Å; T351-Y355 WeakPolarHBondContact O-CB 3.37Å; T351-Y355 PolarHBondContact O-N 2.94Å; T352-Y355 PolarHBondContact O-N 3.42Å; S353-Y355 VanDerWaalsContact C-N 3.33Å; S353-Y355 PolarHBondContact O-N 3.48Å; Y355-L359 HydrophobicContact CD1-CD1 4.3Å; Y355-L359 HydrophobicContact CD2-CD1 3.76Å; Y355-L359 HydrophobicContact CD2-CG 4.25Å; Y355-L359 HydrophobicContact CE1-CD1 3.88Å; Y355-L359 HydrophobicContact CE2-CD1 3.3Å; Y355-L359 HydrophobicContact CE2-CG 4.2Å; Y355-L359 HydrophobicContact CG-CD1 4.25Å; Y355-L359 VanDerWaalsContact O-CB 3.28Å; Y355-L359 WeakPolarHBondContact O-CB 3.25Å; Y355-L359 VanDerWaalsContact O-CG 3.25Å; Y355-L359 WeakPolarHBondContact O-CG 3.45Å; Y355-L359 PolarHBondContact O-N 2.77Å; Y355-L359 VanDerWaalsContact O-N 3.15Å; Y355-M390 WeakPolarHBondContact OH-CE 3.31Å; Y355-V405 HydrophobicContact CD1-CG2 4.46Å; Y355-V405 HydrophobicContact CE1-CB 4.27Å; Y355-V405 HydrophobicContact CE1-CG1 3.7Å; Y355-V405 HydrophobicContact CE1-CG2 4.34Å; Y355-E407 PolarHBondContact OH-OE2 3.13Å; Y355-E407 VanDerWaalsContact OH-OE2 3.12Å; Y355-I422 HydrophobicContact CD1-CD1 4.2Å
356L96.1Very high93.6Very high9 Ų935.5 Ų35.55%0.04718%0.176CC..Hα-helixtrans-60.8-58.5172-77.2164.3000110.1T352 S353 H358 L359 T360 G403 V405 I422 I460T352-L356 PolarHBondContact O-N 2.89Å; S353-L356 PolarHBondContact O-N 2.95Å; L356-H358 PolarHBondContact O-N 3.14Å; L356-L359 PolarHBondContact O-N 3.23Å; L356-L359 VanDerWaalsContact O-N 3.1Å; L356-T360 PolarHBondContact O-N 3.48Å; L356-T360 PolarHBondContact O-OG1 3Å; L356-G403 WeakPolarHBondContact CD2-O 3.4Å; L356-V405 HydrophobicContact CD2-CB 4.2Å; L356-V405 HydrophobicContact CD2-CG2 3.66Å; L356-I422 HydrophobicContact CD1-CD1 3.96Å; L356-I422 HydrophobicContact CD1-CG1 3.88Å; L356-I422 HydrophobicContact CD2-CD1 4.34Å; L356-I422 HydrophobicContact CD2-CG1 3.61Å; L356-I422 HydrophobicContact CG-CD1 3.84Å; L356-I422 HydrophobicContact CG-CG1 3.67Å; L356-I460 HydrophobicContact CD1-CB 4.3Å; L356-I460 HydrophobicContact CD1-CD1 3.57Å; L356-I460 HydrophobicContact CD1-CG1 3.61Å; L356-I460 HydrophobicContact CD1-CG2 3.64Å
357F96.3Very high93.7Very high89 Ų8935.4 Ų35.439%0.3919%0.185SC..Hα-helixtrans-51.1-53-177.2173.5-103.9000112.1S353 E354 L359 T360 E361 D362S353-F357 VanDerWaalsContact O-CB 3.26Å; S353-F357 WeakPolarHBondContact O-CB 3.44Å; S353-F357 PolarHBondContact O-N 3.48Å; E354-F357 PolarHBondContact O-N 2.64Å; F357-L359 PolarHBondContact O-N 2.97Å; F357-T360 PolarHBondContact O-N 3.12Å; F357-E361 HydrophobicContact CD2-CB 3.82Å; F357-E361 HydrophobicContact CE2-CB 4.11Å; F357-E361 CarbonylContact O-C 3.6Å; F357-E361 WeakPolarHBondContact O-CA 3Å; F357-E361 PolarHBondContact O-N 3.34Å; F357-D362 HydrophobicContact CD1-CB 4.08Å; F357-D362 HydrophobicContact CE1-CB 3.61Å; F357-D362 HydrophobicContact CE2-CB 4.48Å; F357-D362 HydrophobicContact CZ-CB 3.84Å; F357-D362 PolarHBondContact O-N 3.46Å
358H96.1Very high93.8Very high18 Ų1834.7 Ų34.78%0.08318%0.182CC..Hα-helixtrans-65.7-38-178-71.2-49.5000112.6Y347 H348 E354 L356 D362 F365 R366Y347-H358 AromaticContact CD1-CE1 3.57Å; Y347-H358 AromaticContact CD1-ND1 3.86Å; H348-H358 PolarHBondContact O-NE2 3.31Å; E354-H358 WeakPolarHBondContact O-CB 3.18Å; E354-H358 PolarHBondContact O-CD2 2.94Å; E354-H358 PolarHBondContact O-N 3.29Å; L356-H358 PolarHBondContact O-N 3.14Å; H358-D362 IonicContact CE1-OD2 3.38Å; H358-D362 PolarHBondContact CE1-OD2 3.23Å; H358-D362 IonicContact ND1-OD2 2.67Å; H358-D362 PolarHBondContact ND1-OD2 2.78Å; H358-F365 HydrophobicContact CB-CD1 3.74Å; H358-F365 HydrophobicContact CB-CE1 3.86Å; H358-F365 HydrophobicContact CB-CG 4.23Å; H358-F365 HydrophobicContact CB-CZ 4.48Å; H358-F365 VanDerWaalsContact O-CD1 3.26Å; H358-F365 WeakPolarHBondContact O-CD1 3.28Å; H358-R366 WeakPolarHBondContact O-CG 3.37Å
359L95.8Very high94.1Very high1 Ų133 Ų331%0.00518%0.175CC..Hα-helixtrans-80.5-22.7-178.2-66-172.1000114.1P135 Y355 L356 F357 F365 R366 L371 C388 M390 V405P135-L359 HydrophobicContact CG-CD2 3.98Å; Y355-L359 HydrophobicContact CD1-CD1 4.3Å; Y355-L359 HydrophobicContact CD2-CD1 3.76Å; Y355-L359 HydrophobicContact CD2-CG 4.25Å; Y355-L359 HydrophobicContact CE1-CD1 3.88Å; Y355-L359 HydrophobicContact CE2-CD1 3.3Å; Y355-L359 HydrophobicContact CE2-CG 4.2Å; Y355-L359 HydrophobicContact CG-CD1 4.25Å; Y355-L359 VanDerWaalsContact O-CB 3.28Å; Y355-L359 WeakPolarHBondContact O-CB 3.25Å; Y355-L359 VanDerWaalsContact O-CG 3.25Å; Y355-L359 WeakPolarHBondContact O-CG 3.45Å; Y355-L359 PolarHBondContact O-N 2.77Å; Y355-L359 VanDerWaalsContact O-N 3.15Å; L356-L359 PolarHBondContact O-N 3.23Å; L356-L359 VanDerWaalsContact O-N 3.1Å; F357-L359 PolarHBondContact O-N 2.97Å; L359-F365 HydrophobicContact CD2-CE1 4.32Å; L359-R366 PolarHBondContact O-NH1 3.38Å; L359-L371 HydrophobicContact CD2-CD1 3.93Å; L359-C388 HydrophobicContact CB-CB 4.09Å; L359-M390 HydrophobicContact CD1-CE 3.78Å; L359-V405 HydrophobicContact CB-CG2 4.16Å; L359-V405 HydrophobicContact CD1-CG1 4.28Å; L359-V405 HydrophobicContact CD1-CG2 4.15Å
360T95.4Very high94.2Very high11 Ų1136.8 Ų36.87%0.06720%0.195CC..Hα-helixtrans-122-25-171.862.50000115.1L356 F357 G386 C388 G403 S404 V405L356-T360 PolarHBondContact O-N 3.48Å; L356-T360 PolarHBondContact O-OG1 3Å; F357-T360 PolarHBondContact O-N 3.12Å; T360-G386 WeakPolarHBondContact CB-O 3.26Å; T360-C388 HydrophobicContact CG2-CB 4.11Å; T360-G403 WeakPolarHBondContact OG1-CA 3.24Å; T360-S404 WeakPolarHBondContact CG2-O 3.24Å; T360-V405 HydrophobicContact CG2-CG2 4.04Å
361E94.6Very high94.5Very high118 Ų11837.5 Ų37.555%0.55120%0.199SC*.THydrogen-bonded Turntrans-123.1-34.3-169.9-65.3177.7-147.100114.1F357 E363F357-E361 HydrophobicContact CD2-CB 3.82Å; F357-E361 HydrophobicContact CE2-CB 4.11Å; F357-E361 CarbonylContact O-C 3.6Å; F357-E361 WeakPolarHBondContact O-CA 3Å; F357-E361 PolarHBondContact O-N 3.34Å; E361-E363 PolarHBondContact O-N 2.93Å
362D94.4Very high94.5Very high20 Ų2040.2 Ų40.211%0.10721%0.212CC..  trans-72.391.5-176-170.4-17.1000111.9Y347 F357 H358 A364 F365 R366Y347-D362 WeakPolarHBondContact CE1-OD2 3.46Å; F357-D362 HydrophobicContact CD1-CB 4.08Å; F357-D362 HydrophobicContact CE1-CB 3.61Å; F357-D362 HydrophobicContact CE2-CB 4.48Å; F357-D362 HydrophobicContact CZ-CB 3.84Å; F357-D362 PolarHBondContact O-N 3.46Å; H358-D362 IonicContact CE1-OD2 3.38Å; H358-D362 PolarHBondContact CE1-OD2 3.23Å; H358-D362 IonicContact ND1-OD2 2.67Å; H358-D362 PolarHBondContact ND1-OD2 2.78Å; D362-A364 PolarHBondContact O-N 2.78Å; D362-A364 WeakPolarHBondContact OD1-CB 3.35Å; D362-A364 PolarHBondContact OD1-N 3.34Å; D362-A364 VanDerWaalsContact OD1-N 3.1Å; D362-F365 HydrophobicContact CB-CB 3.9Å; D362-F365 VanDerWaalsContact CG-CB 3.42Å; D362-F365 PolarHBondContact O-N 3.3Å; D362-F365 PolarHBondContact OD1-N 2.96Å; D362-F365 WeakPolarHBondContact OD2-CB 3.06Å; D362-R366 VanDerWaalsContact O-CB 3.3Å; D362-R366 WeakPolarHBondContact O-CB 3.25Å; D362-R366 VanDerWaalsContact O-CG 3.22Å; D362-R366 WeakPolarHBondContact O-CG 3.01Å; D362-R366 PolarHBondContact O-N 3.32Å
363E92.3Very high94.3Very high171 Ų17141.6 Ų41.680%0.79922%0.222SC*.Hα-helixtrans-57.2-33.5178.8-64.7-172.7169.100113E361 G367E361-E363 PolarHBondContact O-N 2.93Å; E363-G367 PolarHBondContact O-N 2.71Å
364A91.8Very high94.1Very high36 Ų3641.9 Ų41.930%0.29822%0.224SC..Hα-helixtrans-70.9-52-179.200000110.5D362 R366 G367 E368D362-A364 PolarHBondContact O-N 2.78Å; D362-A364 WeakPolarHBondContact OD1-CB 3.35Å; D362-A364 PolarHBondContact OD1-N 3.34Å; D362-A364 VanDerWaalsContact OD1-N 3.1Å; A364-R366 PolarHBondContact O-N 3.12Å; A364-G367 PolarHBondContact O-N 2.87Å; A364-E368 VanDerWaalsContact O-CB 3.32Å; A364-E368 WeakPolarHBondContact O-CB 3.36Å; A364-E368 WeakPolarHBondContact O-CG 3.39Å; A364-E368 PolarHBondContact O-N 2.93Å
365F93.7Very high94.1Very high0 Ų039.4 Ų39.40%021%0.213CC..Hα-helixtrans-58.9-47.5176.8-179.8-104000111.7I170 Y347 I349 H358 L359 D362 G367 E368 L369 L371I170-F365 HydrophobicContact CD1-CE2 3.82Å; I170-F365 HydrophobicContact CD1-CZ 3.72Å; I170-F365 HydrophobicContact CG2-CE2 4.25Å; Y347-F365 HydrophobicContact CD1-CB 4.22Å; Y347-F365 AromaticContact CD1-CD2 3.63Å; Y347-F365 HydrophobicContact CD1-CD2 3.63Å; Y347-F365 HydrophobicContact CD1-CE2 4.4Å; Y347-F365 HydrophobicContact CD1-CG 4.28Å; Y347-F365 AromaticContact CD2-CD2 3.56Å; Y347-F365 HydrophobicContact CD2-CD2 3.56Å; Y347-F365 HydrophobicContact CD2-CE2 4.04Å; Y347-F365 HydrophobicContact CE1-CB 3.73Å; Y347-F365 AromaticContact CE1-CD2 3.88Å; Y347-F365 HydrophobicContact CE1-CD2 3.88Å; Y347-F365 HydrophobicContact CE1-CG 4.25Å; Y347-F365 AromaticContact CE2-CD2 3.8Å; Y347-F365 HydrophobicContact CE2-CD2 3.8Å; Y347-F365 AromaticContact CG-CD2 3.44Å; Y347-F365 HydrophobicContact CG-CD2 3.44Å; Y347-F365 VanDerWaalsContact CG-CD2 3.44Å; Y347-F365 AromaticContact CG-CE2 3.87Å; Y347-F365 HydrophobicContact CG-CE2 3.87Å; Y347-F365 HydrophobicContact CG-CG 4.48Å; Y347-F365 AromaticContact CZ-CD2 3.94Å; Y347-F365 PolarHBondContact OH-N 3.3Å; I349-F365 HydrophobicContact CD1-CE1 4.31Å; I349-F365 HydrophobicContact CD1-CE2 4.24Å; I349-F365 HydrophobicContact CD1-CZ 3.62Å; H358-F365 HydrophobicContact CB-CD1 3.74Å; H358-F365 HydrophobicContact CB-CE1 3.86Å; H358-F365 HydrophobicContact CB-CG 4.23Å; H358-F365 HydrophobicContact CB-CZ 4.48Å; H358-F365 VanDerWaalsContact O-CD1 3.26Å; H358-F365 WeakPolarHBondContact O-CD1 3.28Å; L359-F365 HydrophobicContact CD2-CE1 4.32Å; D362-F365 HydrophobicContact CB-CB 3.9Å; D362-F365 VanDerWaalsContact CG-CB 3.42Å; D362-F365 PolarHBondContact O-N 3.3Å; D362-F365 PolarHBondContact OD1-N 2.96Å; D362-F365 WeakPolarHBondContact OD2-CB 3.06Å; F365-G367 PolarHBondContact O-N 2.65Å; F365-E368 PolarHBondContact O-N 3.4Å; F365-L369 HydrophobicContact CD1-CD1 4.26Å; F365-L369 HydrophobicContact CD2-CD1 3.99Å; F365-L369 HydrophobicContact CD2-CG 4.49Å; F365-L369 HydrophobicContact CE1-CD1 3.72Å; F365-L369 HydrophobicContact CE2-CD1 3.39Å; F365-L369 HydrophobicContact CE2-CG 4.28Å; F365-L369 HydrophobicContact CG-CD1 4.4Å; F365-L369 HydrophobicContact CZ-CD1 3.23Å; F365-L369 HydrophobicContact CZ-CG 4.46Å; F365-L369 WeakPolarHBondContact O-CB 3.4Å; F365-L369 PolarHBondContact O-N 2.94Å; F365-L371 HydrophobicContact CD1-CD1 3.68Å; F365-L371 HydrophobicContact CE1-CD1 3.53Å
366R94.3Very high94Very high46 Ų4640.9 Ų40.917%0.17422%0.219CC..Hα-helixtrans-61.7-44179.1-70.717055.975.76.3111.9H358 L359 D362 A364 D370 L371 S373H358-R366 WeakPolarHBondContact O-CG 3.37Å; L359-R366 PolarHBondContact O-NH1 3.38Å; D362-R366 VanDerWaalsContact O-CB 3.3Å; D362-R366 WeakPolarHBondContact O-CB 3.25Å; D362-R366 VanDerWaalsContact O-CG 3.22Å; D362-R366 WeakPolarHBondContact O-CG 3.01Å; D362-R366 PolarHBondContact O-N 3.32Å; A364-R366 PolarHBondContact O-N 3.12Å; R366-D370 WeakPolarHBondContact O-CA 3.39Å; R366-D370 PolarHBondContact O-N 3.01Å; R366-L371 HydrophobicContact CB-CB 4.3Å; R366-L371 HydrophobicContact CG-CB 4.32Å; R366-L371 HydrophobicContact CG-CD1 3.98Å; R366-L371 HydrophobicContact CG-CG 4.5Å; R366-L371 PolarHBondContact O-N 3.07Å; R366-S373 PolarHBondContact NH2-OG 2.87Å
367G92.7Very high93.9Very high34 Ų3441 Ų4135%0.35122%0.221SC..Hα-helixtrans-67.1-44178.700000112.8Q13 E363 A364 F365 D370Q13-G367 PolarHBondContact NE2-O 3.12Å; E363-G367 PolarHBondContact O-N 2.71Å; A364-G367 PolarHBondContact O-N 2.87Å; F365-G367 PolarHBondContact O-N 2.65Å; G367-D370 PolarHBondContact O-N 3.38Å
368E94.6Very high93.7Very high3 Ų337 Ų371%0.01420%0.204CC..Hα-helixtrans-68.3-34.9-178.2-72.1164.5-171.100113.1S9 L12 Q13 L172 K345 Y347 A364 F365S9-E368 PolarHBondContact OG-OE1 3.49Å; L12-E368 HydrophobicContact CB-CG 4.32Å; Q13-E368 WeakPolarHBondContact CA-O 3.28Å; L172-E368 HydrophobicContact CD1-CB 3.77Å; K345-E368 WeakPolarHBondContact CD-OE1 3.47Å; K345-E368 WeakPolarHBondContact CD-OE2 3.4Å; K345-E368 WeakPolarHBondContact CE-OE1 3.34Å; K345-E368 IonicContact NZ-OE1 2.82Å; K345-E368 PolarHBondContact NZ-OE1 3.41Å; K345-E368 IonicContact NZ-OE2 3.32Å; Y347-E368 PolarHBondContact OH-OE2 2.95Å; Y347-E368 VanDerWaalsContact OH-OE2 3.12Å; A364-E368 VanDerWaalsContact O-CB 3.32Å; A364-E368 WeakPolarHBondContact O-CB 3.36Å; A364-E368 WeakPolarHBondContact O-CG 3.39Å; A364-E368 PolarHBondContact O-N 2.93Å; F365-E368 PolarHBondContact O-N 3.4Å
369L94.4Very high93.1Very high4 Ų439.1 Ų39.12%0.02122%0.216CC..Hα-helixtrans-89.4-9.5175.8-66.9-172.8000114.3T16 F146 I170 L172 F365 L371T16-L369 HydrophobicContact CG2-CD2 3.77Å; F146-L369 HydrophobicContact CE2-CD2 3.7Å; F146-L369 HydrophobicContact CZ-CD1 4.5Å; F146-L369 HydrophobicContact CZ-CD2 3.55Å; I170-L369 HydrophobicContact CD1-CD1 4.49Å; L172-L369 HydrophobicContact CD1-CD2 3.87Å; L172-L369 HydrophobicContact CD1-CG 4.3Å; L172-L369 HydrophobicContact CD2-CD2 3.71Å; L172-L369 HydrophobicContact CG-CD2 4.42Å; F365-L369 HydrophobicContact CD1-CD1 4.26Å; F365-L369 HydrophobicContact CD2-CD1 3.99Å; F365-L369 HydrophobicContact CD2-CG 4.49Å; F365-L369 HydrophobicContact CE1-CD1 3.72Å; F365-L369 HydrophobicContact CE2-CD1 3.39Å; F365-L369 HydrophobicContact CE2-CG 4.28Å; F365-L369 HydrophobicContact CG-CD1 4.4Å; F365-L369 HydrophobicContact CZ-CD1 3.23Å; F365-L369 HydrophobicContact CZ-CG 4.46Å; F365-L369 WeakPolarHBondContact O-CB 3.4Å; F365-L369 PolarHBondContact O-N 2.94Å; L369-L371 VanDerWaalsContact C-N 3.35Å; L369-L371 HydrophobicContact CB-CD2 3.52Å; L369-L371 HydrophobicContact CB-CG 3.8Å; L369-L371 HydrophobicContact CD1-CD2 3.96Å; L369-L371 HydrophobicContact CD1-CG 4.43Å; L369-L371 HydrophobicContact CG-CD2 4.42Å
370D92.9Very high92.1Very high85 Ų8540 Ų4046%0.45522%0.223SC..THydrogen-bonded Turntrans57.747.1-173.7-155.329.3000111.8R17 R366 G367R17-D370 IonicContact CZ-OD2 3.37Å; R17-D370 IonicContact NE-OD2 3.88Å; R17-D370 PolarHBondContact NE-OD2 2.91Å; R17-D370 IonicContact NH2-OD1 2.64Å; R17-D370 PolarHBondContact NH2-OD1 2.91Å; R17-D370 IonicContact NH2-OD2 3.31Å; R17-D370 PolarHBondContact NH2-OD2 3.48Å; R366-D370 WeakPolarHBondContact O-CA 3.39Å; R366-D370 PolarHBondContact O-N 3.01Å; G367-D370 PolarHBondContact O-N 3.38Å
371L94.3Very high90.7Very high15 Ų1543.6 Ų43.68%0.07924%0.242CC..  trans-66.6137.5-175.7-65.2-167.1000112.1P135 L136 L359 F365 R366 L369P135-L371 HydrophobicContact CG-CB 4.1Å; P135-L371 HydrophobicContact CG-CD1 4.03Å; P135-L371 HydrophobicContact CG-CD2 3.99Å; P135-L371 HydrophobicContact CG-CG 4.25Å; L136-L371 HydrophobicContact CB-CD2 4.19Å; L136-L371 HydrophobicContact CD2-CD2 3.37Å; L136-L371 HydrophobicContact CG-CD2 4.4Å; L359-L371 HydrophobicContact CD2-CD1 3.93Å; F365-L371 HydrophobicContact CD1-CD1 3.68Å; F365-L371 HydrophobicContact CE1-CD1 3.53Å; R366-L371 HydrophobicContact CB-CB 4.3Å; R366-L371 HydrophobicContact CG-CB 4.32Å; R366-L371 HydrophobicContact CG-CD1 3.98Å; R366-L371 HydrophobicContact CG-CG 4.5Å; R366-L371 PolarHBondContact O-N 3.07Å; L369-L371 VanDerWaalsContact C-N 3.35Å; L369-L371 HydrophobicContact CB-CD2 3.52Å; L369-L371 HydrophobicContact CB-CG 3.8Å; L369-L371 HydrophobicContact CD1-CD2 3.96Å; L369-L371 HydrophobicContact CD1-CG 4.43Å; L369-L371 HydrophobicContact CG-CD2 4.42Å
372L92.7Very high89Confident80 Ų8047.1 Ų47.142%0.41926%0.259SS..  trans-83.2147.5172.3-52.1175.4000109.8P135 S374 A375P135-L372 VanDerWaalsContact CB-O 3.3Å; P135-L372 WeakPolarHBondContact CB-O 3.31Å; P135-L372 VanDerWaalsContact O-CB 3.3Å; P135-L372 WeakPolarHBondContact O-CB 3.44Å; P135-L372 WeakPolarHBondContact O-CG 3.27Å; P135-L372 PolarHBondContact O-N 2.86Å; L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 WeakPolarHBondContact CB-O 3.32Å; L372-A375 HydrophobicContact CB-CB 4.39Å; L372-A375 HydrophobicContact CD1-CB 4.13Å
373S91.3Very high87.2Confident46 Ų4653.3 Ų53.332%0.32229%0.292SS..SBendtrans-77.5-23.1168.6-54.50000112R366 C388 I389R366-S373 PolarHBondContact NH2-OG 2.87Å; S373-C388 CarbonylContact O-C 3.59Å; S373-C388 WeakPolarHBondContact O-CA 3.48Å; S373-I389 PolarHBondContact O-N 2.86Å
374S92.9Very high86.3Confident39 Ų3946.2 Ų46.227%0.27326%0.258SS..EExtended strand (participates in β ladder)trans-136.5125.1173.8172.80000109.4L372 A380 I389L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 WeakPolarHBondContact CB-O 3.32Å; S374-A380 WeakPolarHBondContact OG-CB 3.25Å; S374-I389 CarbonylContact C-O 3.48Å; S374-I389 VanDerWaalsContact CA-O 3.28Å; S374-I389 WeakPolarHBondContact CA-O 3.49Å
375A93.4Very high85.6Confident2 Ų249.2 Ų49.22%0.01728%0.277CS..EExtended strand (participates in β ladder)trans-130.8125.5178.200000110.2P135 I140 L372 S377 I389 M390 Y391P135-A375 HydrophobicContact CB-CB 3.98Å; I140-A375 HydrophobicContact CD1-CB 3.44Å; I140-A375 VanDerWaalsContact CD1-CB 3.44Å; I140-A375 HydrophobicContact CG1-CB 4.04Å; L372-A375 HydrophobicContact CB-CB 4.39Å; L372-A375 HydrophobicContact CD1-CB 4.13Å; A375-S377 VanDerWaalsContact C-N 3.35Å; A375-S377 PolarHBondContact O-N 2.97Å; A375-S377 PolarHBondContact O-OG 2.76Å; A375-I389 PolarHBondContact N-O 3.18Å; A375-M390 HydrophobicContact CB-CG 4.39Å; A375-M390 VanDerWaalsContact O-CA 3.31Å; A375-M390 WeakPolarHBondContact O-CA 3.17Å; A375-Y391 PolarHBondContact O-N 2.86Å
376F94.1Very high85.3Confident31 Ų3150.3 Ų50.314%0.13629%0.288CS..SBendtrans48.853.6178.2-164.3-102.3000112.6I140 Y391 H572 I575 N576I140-F376 HydrophobicContact CB-CB 4.24Å; I140-F376 HydrophobicContact CG2-CB 3.94Å; I140-F376 HydrophobicContact CG2-CG 4.33Å; F376-Y391 AromaticContact CD1-CD1 3.22Å; F376-Y391 HydrophobicContact CD1-CD1 3.22Å; F376-Y391 AromaticContact CD1-CE1 3.29Å; F376-Y391 HydrophobicContact CD1-CE1 3.29Å; F376-Y391 HydrophobicContact CD1-CG 4.06Å; F376-Y391 AromaticContact CE1-CD1 3.59Å; F376-Y391 HydrophobicContact CE1-CD1 3.59Å; F376-Y391 AromaticContact CE1-CE1 3.48Å; F376-Y391 HydrophobicContact CE1-CE1 3.48Å; F376-Y391 VanDerWaalsContact CE1-CE1 3.48Å; F376-Y391 HydrophobicContact CG-CD1 4.34Å; F376-Y391 HydrophobicContact CG-CE1 4.23Å; F376-Y391 WeakPolarHBondContact O-CA 3.09Å; F376-Y391 PolarHBondContact O-N 3.47Å; F376-H572 HydrophobicContact CE1-CB 4.28Å; F376-H572 AromaticContact CE1-CD2 3.64Å; F376-H572 AromaticContact CE1-CG 3.88Å; F376-H572 AromaticContact CZ-CD2 3.61Å; F376-H572 AromaticContact CZ-CE1 3.86Å; F376-H572 AromaticContact CZ-CG 3.83Å; F376-H572 AromaticContact CZ-ND1 3.98Å; F376-H572 AromaticContact CZ-NE2 3.65Å; F376-I575 HydrophobicContact CD1-CD1 4.09Å; F376-I575 HydrophobicContact CD1-CG2 3.91Å; F376-I575 HydrophobicContact CD2-CG2 4.28Å; F376-I575 HydrophobicContact CE1-CB 4.04Å; F376-I575 HydrophobicContact CE1-CD1 4.05Å; F376-I575 HydrophobicContact CE1-CG2 3.76Å; F376-I575 HydrophobicContact CE2-CG2 4.12Å; F376-I575 HydrophobicContact CG-CG2 4.19Å; F376-I575 HydrophobicContact CZ-CB 4.28Å; F376-I575 HydrophobicContact CZ-CG2 3.87Å; F376-N576 WeakPolarHBondContact CE2-OD1 3.28Å; F376-N576 VanDerWaalsContact CZ-OD1 3.25Å; F376-N576 WeakPolarHBondContact CZ-OD1 3.45Å
377S93.9Very high85.3Confident11 Ų1148.1 Ų48.18%0.07728%0.28CS..  trans-140.8152.4-175.5-62.10000111.1A375 I389 M390 Y391 S392A375-S377 VanDerWaalsContact C-N 3.35Å; A375-S377 PolarHBondContact O-N 2.97Å; A375-S377 PolarHBondContact O-OG 2.76Å; S377-I389 PolarHBondContact OG-O 2.93Å; S377-M390 VanDerWaalsContact OG-C 3.24Å; S377-M390 WeakPolarHBondContact OG-CA 3.18Å; S377-Y391 PolarHBondContact OG-N 3.13Å; S377-Y391 VanDerWaalsContact OG-N 3.12Å; S377-S392 CarbonylContact C-O 3.58Å; S377-S392 WeakPolarHBondContact CA-O 3.5Å; S377-S392 VanDerWaalsContact CB-O 3.22Å; S377-S392 WeakPolarHBondContact CB-O 3.38Å; S377-S392 PolarHBondContact OG-N 2.62Å; S377-S392 VanDerWaalsContact OG-N 3.08Å
378V92.1Very high85.4Confident7 Ų746.5 Ų46.54%0.04226%0.264CS..BIsolated β-bridgetrans-102138.8-177.9-172.60000111.1A380 S392 V393 L394 I575 Q578 L579V378-A380 PolarHBondContact O-N 3.46Å; V378-A380 VanDerWaalsContact O-N 3.1Å; V378-S392 PolarHBondContact N-O 2.86Å; V378-V393 HydrophobicContact CB-CG1 4.42Å; V378-V393 HydrophobicContact CB-CG2 4.44Å; V378-V393 HydrophobicContact CG2-CG2 4.2Å; V378-L394 PolarHBondContact O-N 2.96Å; V378-I575 HydrophobicContact CG2-CB 4.3Å; V378-I575 HydrophobicContact CG2-CG1 4.15Å; V378-I575 HydrophobicContact CG2-CG2 4.17Å; V378-Q578 HydrophobicContact CG1-CB 4.08Å; V378-Q578 VanDerWaalsContact CG1-OE1 3.29Å; V378-Q578 HydrophobicContact CG2-CB 3.81Å; V378-L579 HydrophobicContact CG2-CD2 4.36Å; V378-L579 HydrophobicContact CG2-CG 4.21Å
379N84.7Confident85.5Confident62 Ų6246.4 Ų46.433%0.33226%0.263SS..SBendtrans54.621.6-178.8-54.9-40.2000114.9N381 L394 P396N379-N381 PolarHBondContact O-N 2.89Å; N379-L394 VanDerWaalsContact CB-O 3.27Å; N379-L394 WeakPolarHBondContact CB-O 3.45Å; N379-L394 PolarHBondContact ND2-O 2.95Å; N379-P396 HydrophobicContact CB-CG 4.38Å
380A74.3Confident85.6Confident19 Ų1946.2 Ų46.216%0.15726%0.262CS..  trans-8077.3168.600000108.9S374 V378 F384 I389S374-A380 WeakPolarHBondContact OG-CB 3.25Å; V378-A380 PolarHBondContact O-N 3.46Å; V378-A380 VanDerWaalsContact O-N 3.1Å; A380-F384 HydrophobicContact CB-CD2 4.36Å; A380-I389 HydrophobicContact CB-CB 4.23Å; A380-I389 HydrophobicContact CB-CD1 3.94Å; A380-I389 HydrophobicContact CB-CG2 4.11Å
381N64.8Low85.7Confident87 Ų8742.8 Ų42.847%0.46524%0.243SC..  trans-68.6167.2-177.2-66.9-13.8000112.9N379 N383 F384N379-N381 PolarHBondContact O-N 2.89Å; N381-N383 PolarHBondContact O-N 3.17Å; N381-F384 WeakPolarHBondContact O-CD2 3.4Å; N381-F384 PolarHBondContact O-N 2.81Å
382E58.9Low85.9Confident192 Ų19242 Ų4290%0.89724%0.239SC*.THydrogen-bonded Turntrans-59.1-12.9177-63.8-176171.300114.6F384E382-F384 PolarHBondContact O-N 2.83Å
383N58.3Low86.1Confident149 Ų14939.1 Ų39.180%0.79722%0.224SC*.THydrogen-bonded Turntrans-68.3-11.4177.9-68.1-16000113.8N381 S385N381-N383 PolarHBondContact O-N 3.17Å; N383-S385 PolarHBondContact O-N 3.02Å; N383-S385 VanDerWaalsContact O-N 3.15Å
384F72.3Confident86.3Confident22 Ų2237 Ų3710%0.09621%0.209CC..  trans-86.843.5-178.8-71.9-53000112.7A380 N381 E382 G386 C387 I389 L394 V400A380-F384 HydrophobicContact CB-CD2 4.36Å; N381-F384 WeakPolarHBondContact O-CD2 3.4Å; N381-F384 PolarHBondContact O-N 2.81Å; E382-F384 PolarHBondContact O-N 2.83Å; F384-G386 PolarHBondContact O-N 3.49Å; F384-C387 WeakPolarHBondContact CB-SG 3.45Å; F384-C387 PolarHBondContact O-N 3.43Å; F384-C387 PolarHBondContact O-SG 3.24Å; F384-I389 HydrophobicContact CB-CD1 4.16Å; F384-I389 HydrophobicContact CD1-CD1 4.08Å; F384-I389 HydrophobicContact CD2-CD1 3.66Å; F384-I389 HydrophobicContact CE1-CD1 4.44Å; F384-I389 HydrophobicContact CE2-CD1 4.07Å; F384-I389 HydrophobicContact CG-CD1 3.69Å; F384-I389 HydrophobicContact CZ-CD1 4.44Å; F384-L394 HydrophobicContact CE2-CD2 4.35Å; F384-L394 HydrophobicContact CZ-CD2 4.06Å; F384-V400 HydrophobicContact CD1-CB 3.76Å; F384-V400 HydrophobicContact CD1-CG2 4.24Å; F384-V400 HydrophobicContact CE1-CB 3.74Å; F384-V400 HydrophobicContact CE1-CG2 3.79Å
385S77.7Confident86.4Confident100 Ų10037.2 Ų37.270%0.69921%0.208SC*.THydrogen-bonded Turntrans-62.8131.5179.4-1730000111.1N383 C387N383-S385 PolarHBondContact O-N 3.02Å; N383-S385 VanDerWaalsContact O-N 3.15Å; S385-C387 VanDerWaalsContact C-N 3.34Å; S385-C387 PolarHBondContact O-N 3.44Å
386G87.3Confident86.4Confident23 Ų2341.3 Ų41.324%0.23723%0.234CC..THydrogen-bonded Turntrans75.813.8178.800000115.3T360 F384 G403T360-G386 WeakPolarHBondContact CB-O 3.26Å; F384-G386 PolarHBondContact O-N 3.49Å; G386-G403 PolarHBondContact O-N 3.2Å
387C93.3Very high86.4Confident0 Ų042.9 Ų42.90%025%0.248CC..  trans-123.1172169.677.80000111.3F384 S385 V400 S404F384-C387 WeakPolarHBondContact CB-SG 3.45Å; F384-C387 PolarHBondContact O-N 3.43Å; F384-C387 PolarHBondContact O-SG 3.24Å; S385-C387 VanDerWaalsContact C-N 3.34Å; S385-C387 PolarHBondContact O-N 3.44Å; C387-V400 HydrophobicContact CB-CG1 4.08Å; C387-S404 WeakPolarHBondContact CA-O 3.47Å; C387-S404 VanDerWaalsContact CB-O 3.3Å; C387-S404 WeakPolarHBondContact CB-O 3.29Å
388C96.2Very high86.5Confident0 Ų042.9 Ų42.90%025%0.248CC..EExtended strand (participates in β ladder)trans-129.4118.1-178.7-1780000110.8L359 T360 S373 S404 V405 V406L359-C388 HydrophobicContact CB-CB 4.09Å; T360-C388 HydrophobicContact CG2-CB 4.11Å; S373-C388 CarbonylContact O-C 3.59Å; S373-C388 WeakPolarHBondContact O-CA 3.48Å; C388-S404 PolarHBondContact N-O 3.12Å; C388-V405 HydrophobicContact CB-CG1 4.5Å; C388-V405 HydrophobicContact CB-CG2 4.14Å; C388-V405 CarbonylContact O-C 3.56Å; C388-V405 VanDerWaalsContact O-CA 3.29Å; C388-V405 WeakPolarHBondContact O-CA 3.49Å; C388-V406 PolarHBondContact O-N 3.47Å
389I96.7Very high86.6Confident0 Ų045.3 Ų45.30%027%0.266CS..EExtended strand (participates in β ladder)trans-118.5122-179.1-55.1173.8000109.2S373 S374 A375 S377 A380 F384 L394 V400 V406S373-I389 PolarHBondContact O-N 2.86Å; S374-I389 CarbonylContact C-O 3.48Å; S374-I389 VanDerWaalsContact CA-O 3.28Å; S374-I389 WeakPolarHBondContact CA-O 3.49Å; A375-I389 PolarHBondContact N-O 3.18Å; S377-I389 PolarHBondContact OG-O 2.93Å; A380-I389 HydrophobicContact CB-CB 4.23Å; A380-I389 HydrophobicContact CB-CD1 3.94Å; A380-I389 HydrophobicContact CB-CG2 4.11Å; F384-I389 HydrophobicContact CB-CD1 4.16Å; F384-I389 HydrophobicContact CD1-CD1 4.08Å; F384-I389 HydrophobicContact CD2-CD1 3.66Å; F384-I389 HydrophobicContact CE1-CD1 4.44Å; F384-I389 HydrophobicContact CE2-CD1 4.07Å; F384-I389 HydrophobicContact CG-CD1 3.69Å; F384-I389 HydrophobicContact CZ-CD1 4.44Å; I389-L394 HydrophobicContact CD1-CD2 3.9Å; I389-L394 HydrophobicContact CG2-CD1 3.72Å; I389-V400 HydrophobicContact CD1-CG2 4.49Å; I389-V406 CarbonylContact C-O 3.58Å; I389-V406 WeakPolarHBondContact CA-O 3.35Å; I389-V406 HydrophobicContact CG1-CB 4.46Å; I389-V406 HydrophobicContact CG2-CB 4.48Å
390M95.9Very high87.1Confident0 Ų043 Ų430%025%0.254CS..EExtended strand (participates in β ladder)trans-132.9139.8-176.1-65.1176.2-71.700111.5P133 P135 I140 Y355 L359 A375 S377 S392 V405 V406 E407 Y408P133-M390 HydrophobicContact CB-SD 3.99Å; P133-M390 HydrophobicContact CG-CB 4.48Å; P133-M390 HydrophobicContact CG-CE 4.04Å; P133-M390 HydrophobicContact CG-SD 4.01Å; P135-M390 HydrophobicContact CB-CG 3.87Å; P135-M390 HydrophobicContact CB-SD 3.71Å; P135-M390 HydrophobicContact CG-SD 4.12Å; I140-M390 HydrophobicContact CD1-CB 4.27Å; I140-M390 HydrophobicContact CD1-CG 4.2Å; Y355-M390 WeakPolarHBondContact OH-CE 3.31Å; L359-M390 HydrophobicContact CD1-CE 3.78Å; A375-M390 HydrophobicContact CB-CG 4.39Å; A375-M390 VanDerWaalsContact O-CA 3.31Å; A375-M390 WeakPolarHBondContact O-CA 3.17Å; S377-M390 VanDerWaalsContact OG-C 3.24Å; S377-M390 WeakPolarHBondContact OG-CA 3.18Å; M390-S392 PolarHBondContact O-N 3.34Å; M390-S392 PolarHBondContact O-OG 2.84Å; M390-V405 HydrophobicContact CE-CG1 3.85Å; M390-V406 PolarHBondContact N-O 2.82Å; M390-E407 HydrophobicContact CB-CB 4.4Å; M390-E407 HydrophobicContact CE-CB 4.35Å; M390-E407 VanDerWaalsContact O-CA 3.24Å; M390-E407 WeakPolarHBondContact O-CA 3.47Å; M390-Y408 PolarHBondContact O-N 3.18Å; M390-Y408 VanDerWaalsContact O-N 3.14Å
391Y95.5Very high88.2Confident13 Ų1347.5 Ų47.55%0.05127%0.272CS..SBendtrans49.435.9174.3-81-74.6000114P133 I140 A375 F376 S377 Y408 L571 I575P133-Y391 HydrophobicContact CB-CD2 4Å; P133-Y391 HydrophobicContact CB-CE2 4.14Å; I140-Y391 HydrophobicContact CB-CE2 4.39Å; I140-Y391 HydrophobicContact CD1-CD2 4.09Å; I140-Y391 HydrophobicContact CD1-CE2 4.04Å; I140-Y391 HydrophobicContact CG1-CE2 4.49Å; I140-Y391 HydrophobicContact CG2-CD2 3.98Å; I140-Y391 HydrophobicContact CG2-CE1 3.91Å; I140-Y391 HydrophobicContact CG2-CE2 3.11Å; I140-Y391 WeakPolarHBondContact CG2-OH 3.5Å; A375-Y391 PolarHBondContact O-N 2.86Å; F376-Y391 AromaticContact CD1-CD1 3.22Å; F376-Y391 HydrophobicContact CD1-CD1 3.22Å; F376-Y391 AromaticContact CD1-CE1 3.29Å; F376-Y391 HydrophobicContact CD1-CE1 3.29Å; F376-Y391 HydrophobicContact CD1-CG 4.06Å; F376-Y391 AromaticContact CE1-CD1 3.59Å; F376-Y391 HydrophobicContact CE1-CD1 3.59Å; F376-Y391 AromaticContact CE1-CE1 3.48Å; F376-Y391 HydrophobicContact CE1-CE1 3.48Å; F376-Y391 VanDerWaalsContact CE1-CE1 3.48Å; F376-Y391 HydrophobicContact CG-CD1 4.34Å; F376-Y391 HydrophobicContact CG-CE1 4.23Å; F376-Y391 WeakPolarHBondContact O-CA 3.09Å; F376-Y391 PolarHBondContact O-N 3.47Å; S377-Y391 PolarHBondContact OG-N 3.13Å; S377-Y391 VanDerWaalsContact OG-N 3.12Å; Y391-Y408 HydrophobicContact CD1-CD1 4.4Å; Y391-Y408 AromaticContact CD1-CE1 3.97Å; Y391-Y408 HydrophobicContact CD1-CE1 3.97Å; Y391-Y408 HydrophobicContact CD2-CD1 4.31Å; Y391-Y408 AromaticContact CD2-CE1 3.52Å; Y391-Y408 HydrophobicContact CD2-CE1 3.52Å; Y391-Y408 HydrophobicContact CD2-CE2 4.49Å; Y391-Y408 AromaticContact CD2-CZ 3.61Å; Y391-Y408 HydrophobicContact CE2-CE1 4.03Å; Y391-Y408 AromaticContact CG-CD1 3.88Å; Y391-Y408 HydrophobicContact CG-CD1 3.88Å; Y391-Y408 AromaticContact CG-CE1 3.46Å; Y391-Y408 HydrophobicContact CG-CE1 3.46Å; Y391-Y408 VanDerWaalsContact CG-CE1 3.46Å; Y391-Y408 VanDerWaalsContact O-CA 3.25Å; Y391-Y408 WeakPolarHBondContact O-CA 3.47Å; Y391-Y408 PolarHBondContact O-N 3.12Å; Y391-L571 WeakPolarHBondContact O-CD2 3.43Å; Y391-I575 VanDerWaalsContact C-CD1 3.48Å
392S97Very high89.6Confident0 Ų046.3 Ų46.30%027%0.274CS..  trans-129.2152.6-169.1-63.50000112.9S377 V378 M390 Y408 S409S377-S392 CarbonylContact C-O 3.58Å; S377-S392 WeakPolarHBondContact CA-O 3.5Å; S377-S392 VanDerWaalsContact CB-O 3.22Å; S377-S392 WeakPolarHBondContact CB-O 3.38Å; S377-S392 PolarHBondContact OG-N 2.62Å; S377-S392 VanDerWaalsContact OG-N 3.08Å; V378-S392 PolarHBondContact N-O 2.86Å; M390-S392 PolarHBondContact O-N 3.34Å; M390-S392 PolarHBondContact O-OG 2.84Å; S392-Y408 PolarHBondContact OG-N 2.99Å; S392-S409 CarbonylContact C-O 3.49Å; S392-S409 WeakPolarHBondContact CA-O 3.49Å; S392-S409 VanDerWaalsContact CB-O 3.28Å; S392-S409 WeakPolarHBondContact CB-O 3.38Å; S392-S409 PolarHBondContact OG-N 3.06Å; S392-S409 VanDerWaalsContact OG-N 3.08Å
393V97Very high91.4Very high18 Ų1837.6 Ų37.611%0.10924%0.236CC..EExtended strand (participates in β ladder)trans-115.4120.7175.2177.50000108.2V378 S409 R410 L411 L571 I575V378-V393 HydrophobicContact CB-CG1 4.42Å; V378-V393 HydrophobicContact CB-CG2 4.44Å; V378-V393 HydrophobicContact CG2-CG2 4.2Å; V393-S409 PolarHBondContact N-O 3.2Å; V393-R410 HydrophobicContact CB-CG 4.47Å; V393-R410 VanDerWaalsContact O-CA 3.32Å; V393-R410 WeakPolarHBondContact O-CA 3.38Å; V393-L411 PolarHBondContact O-N 2.88Å; V393-L571 HydrophobicContact CB-CD1 4.42Å; V393-L571 HydrophobicContact CG2-CD1 3.73Å; V393-I575 HydrophobicContact CG2-CD1 4.38Å; V393-I575 HydrophobicContact CG2-CG1 3.61Å
394L96.2Very high93.3Very high2 Ų230.5 Ų30.51%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-116.7142.1179.2-70.974.6000109.6V378 N379 F384 I389 C398 V400 L411V378-L394 PolarHBondContact O-N 2.96Å; N379-L394 VanDerWaalsContact CB-O 3.27Å; N379-L394 WeakPolarHBondContact CB-O 3.45Å; N379-L394 PolarHBondContact ND2-O 2.95Å; F384-L394 HydrophobicContact CE2-CD2 4.35Å; F384-L394 HydrophobicContact CZ-CD2 4.06Å; I389-L394 HydrophobicContact CD1-CD2 3.9Å; I389-L394 HydrophobicContact CG2-CD1 3.72Å; L394-C398 HydrophobicContact CB-CB 4.45Å; L394-C398 HydrophobicContact CD2-CB 4.4Å; L394-V400 HydrophobicContact CD2-CG2 4.09Å; L394-L411 HydrophobicContact CD2-CD1 3.93Å; L394-L411 HydrophobicContact CG-CB 4.16Å; L394-L411 HydrophobicContact CG-CD1 3.98Å; L394-L411 HydrophobicContact CG-CG 4.15Å
395D95.4Very high94.5Very high44 Ų4429.5 Ų29.524%0.23519%0.193CC..  trans-68.4143.7162-176.3-78.6000110S397 C398 L411 T413D395-S397 PolarHBondContact O-N 3.33Å; D395-S397 VanDerWaalsContact OD1-CB 3.31Å; D395-S397 WeakPolarHBondContact OD1-CB 3.39Å; D395-S397 PolarHBondContact OD1-N 3.42Å; D395-S397 PolarHBondContact OD1-OG 2.74Å; D395-C398 VanDerWaalsContact O-CB 3.28Å; D395-C398 WeakPolarHBondContact O-CB 3.5Å; D395-C398 PolarHBondContact O-N 3.26Å; D395-C398 PolarHBondContact O-SG 2.91Å; D395-C398 VanDerWaalsContact O-SG 3.37Å; D395-L411 PolarHBondContact N-O 2.94Å; D395-T413 VanDerWaalsContact CG-CA 3.47Å; D395-T413 PolarHBondContact OD2-OG1 2.76Å
396P92.4Very high95.5Very high88 Ų8824.7 Ų24.757%0.57116%0.16SC*.THydrogen-bonded Turntrans-58.4-20179.4-26.735.7000115.6N379 C398N379-P396 HydrophobicContact CB-CG 4.38Å; P396-C398 VanDerWaalsContact C-N 3.35Å
397S94.1Very high96Very high63 Ų6323.9 Ų23.944%0.44115%0.15SC..THydrogen-bonded Turntrans-85.5-3.9177.364.50000114.2D395 T413 G414D395-S397 PolarHBondContact O-N 3.33Å; D395-S397 VanDerWaalsContact OD1-CB 3.31Å; D395-S397 WeakPolarHBondContact OD1-CB 3.39Å; D395-S397 PolarHBondContact OD1-N 3.42Å; D395-S397 PolarHBondContact OD1-OG 2.74Å; S397-T413 WeakPolarHBondContact OG-CA 3.46Å; S397-T413 VanDerWaalsContact OG-CG2 3.31Å; S397-T413 WeakPolarHBondContact OG-CG2 3.14Å; S397-G414 PolarHBondContact OG-N 3.22Å
398C95.7Very high96.2Very high11 Ų1124.6 Ų24.67%0.07415%0.153CC..  trans-68147.5178.1-68.60000112.3L394 D395 P396 L411 E412 V415L394-C398 HydrophobicContact CB-CB 4.45Å; L394-C398 HydrophobicContact CD2-CB 4.4Å; D395-C398 VanDerWaalsContact O-CB 3.28Å; D395-C398 WeakPolarHBondContact O-CB 3.5Å; D395-C398 PolarHBondContact O-N 3.26Å; D395-C398 PolarHBondContact O-SG 2.91Å; D395-C398 VanDerWaalsContact O-SG 3.37Å; P396-C398 VanDerWaalsContact C-N 3.35Å; C398-L411 PolarHBondContact SG-O 2.83Å; C398-E412 PolarHBondContact SG-O 3Å; C398-V415 CarbonylContact C-O 3.55Å; C398-V415 VanDerWaalsContact CA-O 3.25Å; C398-V415 WeakPolarHBondContact CA-O 3.34Å
399S95Very high96.3Very high58 Ų5824.6 Ų24.641%0.40615%0.153SC..EExtended strand (participates in β ladder)trans-120.8139.6168.764.10000111.3V415 S416 V417S399-V415 PolarHBondContact N-O 2.87Å; S399-S416 CarbonylContact O-C 3.56Å; S399-S416 WeakPolarHBondContact O-CA 3.41Å; S399-S416 WeakPolarHBondContact OG-CB 3.42Å; S399-V417 PolarHBondContact O-N 3.31Å
400V96.3Very high96.3Very high15 Ų1526.8 Ų26.89%0.09116%0.161CC..EExtended strand (participates in β ladder)trans-133.2115.4176.5-178.30000106.3F384 C387 I389 L394 V406 L411 V417F384-V400 HydrophobicContact CD1-CB 3.76Å; F384-V400 HydrophobicContact CD1-CG2 4.24Å; F384-V400 HydrophobicContact CE1-CB 3.74Å; F384-V400 HydrophobicContact CE1-CG2 3.79Å; C387-V400 HydrophobicContact CB-CG1 4.08Å; I389-V400 HydrophobicContact CD1-CG2 4.49Å; L394-V400 HydrophobicContact CD2-CG2 4.09Å; V400-V406 HydrophobicContact CG1-CG2 4.09Å; V400-V406 HydrophobicContact CG2-CG2 4.26Å; V400-L411 HydrophobicContact CG2-CD1 4.23Å; V400-V417 HydrophobicContact CG1-CB 4.27Å; V400-V417 HydrophobicContact CG1-CG1 4.48Å; V400-V417 HydrophobicContact CG2-CB 4.33Å; V400-V417 HydrophobicContact CG2-CG2 4.38Å
401E95.9Very high96.4Very high112 Ų11226.9 Ų26.952%0.52316%0.162SC..  trans-76156.5-179.2-69.8-176176.100111.6S404 V417 G418 G419E401-S404 VanDerWaalsContact O-CB 3.23Å; E401-S404 WeakPolarHBondContact O-CB 2.94Å; E401-S404 PolarHBondContact O-N 3.34Å; E401-S404 PolarHBondContact O-OG 3.18Å; E401-V417 WeakPolarHBondContact CB-O 3.29Å; E401-V417 PolarHBondContact N-O 3.35Å; E401-G418 WeakPolarHBondContact OE2-CA 3.35Å; E401-G419 VanDerWaalsContact CB-N 3.34Å; E401-G419 PolarHBondContact OE2-N 3.1Å
402A95.3Very high96.5Very high63 Ų6329.1 Ų29.152%0.52117%0.173SC..THydrogen-bonded Turntrans-57.3154.5-178.600000112.7S404 G419 G420A402-S404 PolarHBondContact O-N 3.13Å; A402-G419 VanDerWaalsContact O-CA 3.22Å; A402-G419 WeakPolarHBondContact O-CA 3.31Å; A402-G420 PolarHBondContact O-N 3.27Å
403G95.8Very high96.5Very high9 Ų932.5 Ų32.59%0.09319%0.194CC..THydrogen-bonded Turntrans77.33.1-174.900000114L356 T360 G386 G420L356-G403 WeakPolarHBondContact CD2-O 3.4Å; T360-G403 WeakPolarHBondContact OG1-CA 3.24Å; G386-G403 PolarHBondContact O-N 3.2Å; G403-G420 VanDerWaalsContact O-CA 3.26Å; G403-G420 WeakPolarHBondContact O-CA 3.39Å
404S97.9Very high96.5Very high0 Ų033.4 Ų33.40%021%0.207CC..  trans-100.4150.4-175.1-51.60000113.6T360 C387 C388 E401 A402 G418 G419 G420 S421T360-S404 WeakPolarHBondContact CG2-O 3.24Å; C387-S404 WeakPolarHBondContact CA-O 3.47Å; C387-S404 VanDerWaalsContact CB-O 3.3Å; C387-S404 WeakPolarHBondContact CB-O 3.29Å; C388-S404 PolarHBondContact N-O 3.12Å; E401-S404 VanDerWaalsContact O-CB 3.23Å; E401-S404 WeakPolarHBondContact O-CB 2.94Å; E401-S404 PolarHBondContact O-N 3.34Å; E401-S404 PolarHBondContact O-OG 3.18Å; A402-S404 PolarHBondContact O-N 3.13Å; S404-G418 PolarHBondContact OG-O 3.08Å; S404-G418 VanDerWaalsContact OG-O 3.14Å; S404-G419 WeakPolarHBondContact OG-CA 3.41Å; S404-G420 PolarHBondContact OG-N 3Å; S404-S421 CarbonylContact C-O 3.45Å; S404-S421 WeakPolarHBondContact CA-O 3.37Å; S404-S421 WeakPolarHBondContact CB-O 3.22Å; S404-S421 PolarHBondContact OG-N 3.43Å
405V98.1Very high96.6Very high0 Ų033.3 Ų33.30%021%0.206CC..EExtended strand (participates in β ladder)trans-119.8127.1172.3-177.40000110.2Y355 L356 L359 T360 C388 M390 S421 I422 I423Y355-V405 HydrophobicContact CD1-CG2 4.46Å; Y355-V405 HydrophobicContact CE1-CB 4.27Å; Y355-V405 HydrophobicContact CE1-CG1 3.7Å; Y355-V405 HydrophobicContact CE1-CG2 4.34Å; L356-V405 HydrophobicContact CD2-CB 4.2Å; L356-V405 HydrophobicContact CD2-CG2 3.66Å; L359-V405 HydrophobicContact CB-CG2 4.16Å; L359-V405 HydrophobicContact CD1-CG1 4.28Å; L359-V405 HydrophobicContact CD1-CG2 4.15Å; T360-V405 HydrophobicContact CG2-CG2 4.04Å; C388-V405 HydrophobicContact CB-CG1 4.5Å; C388-V405 HydrophobicContact CB-CG2 4.14Å; C388-V405 CarbonylContact O-C 3.56Å; C388-V405 VanDerWaalsContact O-CA 3.29Å; C388-V405 WeakPolarHBondContact O-CA 3.49Å; M390-V405 HydrophobicContact CE-CG1 3.85Å; V405-S421 PolarHBondContact N-O 2.97Å; V405-I422 WeakPolarHBondContact O-CA 3.26Å; V405-I423 PolarHBondContact O-N 2.97Å
406V98.2Very high96.7Very high0 Ų032.8 Ų32.80%021%0.206CC..EExtended strand (participates in β ladder)trans-118.9116.1172.9-177.30000108.6C388 I389 M390 V400 L411 I423C388-V406 PolarHBondContact O-N 3.47Å; I389-V406 CarbonylContact C-O 3.58Å; I389-V406 WeakPolarHBondContact CA-O 3.35Å; I389-V406 HydrophobicContact CG1-CB 4.46Å; I389-V406 HydrophobicContact CG2-CB 4.48Å; M390-V406 PolarHBondContact N-O 2.82Å; V400-V406 HydrophobicContact CG1-CG2 4.09Å; V400-V406 HydrophobicContact CG2-CG2 4.26Å; V406-L411 HydrophobicContact CG1-CD1 4.28Å; V406-L411 HydrophobicContact CG2-CD1 4.49Å; V406-I423 WeakPolarHBondContact CA-O 3.44Å; V406-I423 HydrophobicContact CG1-CB 4.41Å; V406-I423 HydrophobicContact CG2-CB 4.35Å
407E97.4Very high97Very high6 Ų628.6 Ų28.63%0.02818%0.179CC..EExtended strand (participates in β ladder)trans-130.6142.9-179.659.6160-160.500113.7P133 Y355 M390 S409 I423 S424 S425P133-E407 WeakPolarHBondContact CD-OE2 3.48Å; P133-E407 HydrophobicContact CG-CB 4.46Å; P133-E407 WeakPolarHBondContact CG-OE2 3.46Å; Y355-E407 PolarHBondContact OH-OE2 3.13Å; Y355-E407 VanDerWaalsContact OH-OE2 3.12Å; M390-E407 HydrophobicContact CB-CB 4.4Å; M390-E407 HydrophobicContact CE-CB 4.35Å; M390-E407 VanDerWaalsContact O-CA 3.24Å; M390-E407 WeakPolarHBondContact O-CA 3.47Å; E407-S409 PolarHBondContact O-N 3.13Å; E407-S409 PolarHBondContact O-OG 2.66Å; E407-I423 PolarHBondContact N-O 3.08Å; E407-S424 WeakPolarHBondContact O-CA 3.21Å; E407-S424 WeakPolarHBondContact OE1-CB 3.19Å; E407-S424 PolarHBondContact OE1-OG 3.08Å; E407-S425 PolarHBondContact O-N 2.74Å
408Y97.5Very high97.2Very high14 Ų1426 Ų266%0.05516%0.161CC..SBendtrans49.732.7178.6-58.3-77.4000114.3P133 Q142 M390 Y391 S392 S425 K568 L571P133-Y408 HydrophobicContact CB-CE2 4.35Å; P133-Y408 HydrophobicContact CG-CE2 3.61Å; Q142-Y408 PolarHBondContact NE2-OH 3.49Å; M390-Y408 PolarHBondContact O-N 3.18Å; M390-Y408 VanDerWaalsContact O-N 3.14Å; Y391-Y408 HydrophobicContact CD1-CD1 4.4Å; Y391-Y408 AromaticContact CD1-CE1 3.97Å; Y391-Y408 HydrophobicContact CD1-CE1 3.97Å; Y391-Y408 HydrophobicContact CD2-CD1 4.31Å; Y391-Y408 AromaticContact CD2-CE1 3.52Å; Y391-Y408 HydrophobicContact CD2-CE1 3.52Å; Y391-Y408 HydrophobicContact CD2-CE2 4.49Å; Y391-Y408 AromaticContact CD2-CZ 3.61Å; Y391-Y408 HydrophobicContact CE2-CE1 4.03Å; Y391-Y408 AromaticContact CG-CD1 3.88Å; Y391-Y408 HydrophobicContact CG-CD1 3.88Å; Y391-Y408 AromaticContact CG-CE1 3.46Å; Y391-Y408 HydrophobicContact CG-CE1 3.46Å; Y391-Y408 VanDerWaalsContact CG-CE1 3.46Å; Y391-Y408 VanDerWaalsContact O-CA 3.25Å; Y391-Y408 WeakPolarHBondContact O-CA 3.47Å; Y391-Y408 PolarHBondContact O-N 3.12Å; S392-Y408 PolarHBondContact OG-N 2.99Å; Y408-S425 VanDerWaalsContact O-CA 3.28Å; Y408-S425 WeakPolarHBondContact O-CA 3.28Å; Y408-K568 HydrophobicContact CD1-CD 3.8Å; Y408-K568 HydrophobicContact CD1-CG 3.89Å; Y408-K568 HydrophobicContact CE1-CD 3.83Å; Y408-K568 HydrophobicContact CE1-CG 4.34Å; Y408-K568 HydrophobicContact CG-CD 4.32Å; Y408-K568 HydrophobicContact CG-CG 4.45Å; Y408-L571 WeakPolarHBondContact O-CD2 3.43Å
409S98.3Very high97.3Very high1 Ų126.1 Ų26.11%0.00717%0.165CC..  trans-121.4160.2-167.7-650000113.1S392 V393 E407 I423 S425 C426S392-S409 CarbonylContact C-O 3.49Å; S392-S409 WeakPolarHBondContact CA-O 3.49Å; S392-S409 VanDerWaalsContact CB-O 3.28Å; S392-S409 WeakPolarHBondContact CB-O 3.38Å; S392-S409 PolarHBondContact OG-N 3.06Å; S392-S409 VanDerWaalsContact OG-N 3.08Å; V393-S409 PolarHBondContact N-O 3.2Å; E407-S409 PolarHBondContact O-N 3.13Å; E407-S409 PolarHBondContact O-OG 2.66Å; S409-I423 PolarHBondContact OG-O 3.18Å; S409-S425 PolarHBondContact OG-N 3.02Å; S409-C426 CarbonylContact C-O 3.51Å; S409-C426 WeakPolarHBondContact CA-O 3.47Å; S409-C426 VanDerWaalsContact CB-O 3.28Å; S409-C426 WeakPolarHBondContact CB-O 3.28Å; S409-C426 PolarHBondContact OG-N 2.85Å
410R98.2Very high97.4Very high45 Ų4524.5 Ų24.517%0.1716%0.157CC..EExtended strand (participates in β ladder)trans-118.8121.4170.9-63.7-175.1-171.1-121.7-4.6109.5V393 C426 W427 V428 L571 D574V393-R410 HydrophobicContact CB-CG 4.47Å; V393-R410 VanDerWaalsContact O-CA 3.32Å; V393-R410 WeakPolarHBondContact O-CA 3.38Å; R410-C426 PolarHBondContact N-O 2.87Å; R410-W427 HydrophobicContact CB-CD2 4.4Å; R410-W427 HydrophobicContact CB-CG 3.99Å; R410-W427 WeakPolarHBondContact O-CA 3.17Å; R410-V428 PolarHBondContact O-N 2.93Å; R410-L571 HydrophobicContact CG-CD1 3.93Å; R410-D574 IonicContact CZ-OD2 3.95Å; R410-D574 IonicContact NH1-OD2 2.64Å; R410-D574 PolarHBondContact NH1-OD2 3.44Å; R410-D574 IonicContact NH2-OD2 2.62Å; R410-D574 PolarHBondContact NH2-OD2 3.23Å
411L98Very high97.5Very high3 Ų323.8 Ų23.82%0.01615%0.153CC..EExtended strand (participates in β ladder)trans-112.4113.4174.9-51.7-173.1000108.9V393 L394 D395 C398 V400 V406 V415 V417 I423 V428V393-L411 PolarHBondContact O-N 2.88Å; L394-L411 HydrophobicContact CD2-CD1 3.93Å; L394-L411 HydrophobicContact CG-CB 4.16Å; L394-L411 HydrophobicContact CG-CD1 3.98Å; L394-L411 HydrophobicContact CG-CG 4.15Å; D395-L411 PolarHBondContact N-O 2.94Å; C398-L411 PolarHBondContact SG-O 2.83Å; V400-L411 HydrophobicContact CG2-CD1 4.23Å; V406-L411 HydrophobicContact CG1-CD1 4.28Å; V406-L411 HydrophobicContact CG2-CD1 4.49Å; L411-V415 HydrophobicContact CB-CB 4.21Å; L411-V415 HydrophobicContact CB-CG1 4.1Å; L411-V415 HydrophobicContact CD1-CG1 4.3Å; L411-V415 HydrophobicContact CD2-CG1 4.13Å; L411-V415 HydrophobicContact CG-CG1 4.4Å; L411-V417 HydrophobicContact CD1-CG2 3.99Å; L411-I423 HydrophobicContact CD2-CG2 4.49Å; L411-V428 HydrophobicContact CD2-CB 3.73Å; L411-V428 HydrophobicContact CD2-CG2 3.38Å
412E97.8Very high97.6Very high59 Ų5918.5 Ų18.528%0.27613%0.128SC..  trans-79.3175.7-179.9-61.7-68.3158.800112.3C398 G414 V415 W427 V428 P430C398-E412 PolarHBondContact SG-O 3Å; E412-G414 PolarHBondContact O-N 3.21Å; E412-V415 WeakPolarHBondContact O-CB 3.4Å; E412-V415 WeakPolarHBondContact O-CG2 3.19Å; E412-V415 PolarHBondContact O-N 3Å; E412-W427 PolarHBondContact OE1-NE1 2.8Å; E412-V428 VanDerWaalsContact CB-O 3.32Å; E412-V428 WeakPolarHBondContact CB-O 3.39Å; E412-V428 WeakPolarHBondContact CG-O 3.41Å; E412-V428 PolarHBondContact N-O 2.74Å; E412-V428 VanDerWaalsContact N-O 3.11Å; E412-P430 HydrophobicContact CB-CB 4.38Å; E412-P430 HydrophobicContact CB-CG 3.78Å; E412-P430 HydrophobicContact CG-CG 4.46Å
413T97.1Very high97.8Very high72 Ų7215.5 Ų15.544%0.44210%0.103SC..THydrogen-bonded Turntrans-47.9128.9-175.8-47.30000113.7D395 S397 V415 P430 G431D395-T413 VanDerWaalsContact CG-CA 3.47Å; D395-T413 PolarHBondContact OD2-OG1 2.76Å; S397-T413 WeakPolarHBondContact OG-CA 3.46Å; S397-T413 VanDerWaalsContact OG-CG2 3.31Å; S397-T413 WeakPolarHBondContact OG-CG2 3.14Å; T413-V415 VanDerWaalsContact C-N 3.31Å; T413-V415 PolarHBondContact O-N 2.82Å; T413-P430 CarbonylContact O-C 3.43Å; T413-P430 WeakPolarHBondContact O-CA 3.49Å; T413-P430 WeakPolarHBondContact O-CB 3.24Å; T413-G431 PolarHBondContact O-N 3.24Å
414G96.6Very high97.9Very high37 Ų3715.1 Ų15.138%0.38110%0.099SC..THydrogen-bonded Turntrans73.814.2173.900000115.2S397 E412 G431S397-G414 PolarHBondContact OG-N 3.22Å; E412-G414 PolarHBondContact O-N 3.21Å; G414-G431 WeakPolarHBondContact O-CA 3.28Å
415V98.2Very high97.9Very high0 Ų015.8 Ų15.80%010%0.104CC..  trans-71.5137.1175.1168.90000111C398 S399 L411 E412 T413 V428 S429 L432C398-V415 CarbonylContact C-O 3.55Å; C398-V415 VanDerWaalsContact CA-O 3.25Å; C398-V415 WeakPolarHBondContact CA-O 3.34Å; S399-V415 PolarHBondContact N-O 2.87Å; L411-V415 HydrophobicContact CB-CB 4.21Å; L411-V415 HydrophobicContact CB-CG1 4.1Å; L411-V415 HydrophobicContact CD1-CG1 4.3Å; L411-V415 HydrophobicContact CD2-CG1 4.13Å; L411-V415 HydrophobicContact CG-CG1 4.4Å; E412-V415 WeakPolarHBondContact O-CB 3.4Å; E412-V415 WeakPolarHBondContact O-CG2 3.19Å; E412-V415 PolarHBondContact O-N 3Å; T413-V415 VanDerWaalsContact C-N 3.31Å; T413-V415 PolarHBondContact O-N 2.82Å; V415-V428 HydrophobicContact CB-CG1 4.32Å; V415-V428 HydrophobicContact CG1-CB 4.19Å; V415-V428 HydrophobicContact CG1-CG1 3.64Å; V415-V428 HydrophobicContact CG2-CB 4.16Å; V415-V428 HydrophobicContact CG2-CG1 3.61Å; V415-S429 WeakPolarHBondContact CG2-O 3.28Å; V415-L432 WeakPolarHBondContact CA-O 3.44Å
416S97.6Very high97.9Very high32 Ų3215.9 Ų15.922%0.22411%0.105CC..EExtended strand (participates in β ladder)trans-119.9138171.563.70000111.9S399 L432 C433 V434S399-S416 CarbonylContact O-C 3.56Å; S399-S416 WeakPolarHBondContact O-CA 3.41Å; S399-S416 WeakPolarHBondContact OG-CB 3.42Å; S416-L432 PolarHBondContact N-O 3.31Å; S416-C433 WeakPolarHBondContact O-CA 3.3Å; S416-C433 WeakPolarHBondContact OG-CA 3.41Å; S416-C433 VanDerWaalsContact OG-CB 3.28Å; S416-C433 WeakPolarHBondContact OG-CB 3.3Å; S416-C433 PolarHBondContact OG-SG 3.33Å; S416-V434 PolarHBondContact O-N 3.13Å
417V98.2Very high97.9Very high1 Ų119.6 Ų19.61%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-117.2113.7175.1-179.20000109S399 V400 E401 L411 I423 V434S399-V417 PolarHBondContact O-N 3.31Å; V400-V417 HydrophobicContact CG1-CB 4.27Å; V400-V417 HydrophobicContact CG1-CG1 4.48Å; V400-V417 HydrophobicContact CG2-CB 4.33Å; V400-V417 HydrophobicContact CG2-CG2 4.38Å; E401-V417 WeakPolarHBondContact CB-O 3.29Å; E401-V417 PolarHBondContact N-O 3.35Å; L411-V417 HydrophobicContact CD1-CG2 3.99Å; V417-I423 HydrophobicContact CG1-CG1 3.95Å; V417-I423 HydrophobicContact CG2-CG1 4.19Å; V417-V434 HydrophobicContact CG2-CG2 4.45Å
418G97.9Very high98Very high7 Ų719.3 Ų19.37%0.07212%0.117CC..  trans-67.3155.2177.500000113.1E401 S404 S421 V434E401-G418 WeakPolarHBondContact OE2-CA 3.35Å; S404-G418 PolarHBondContact OG-O 3.08Å; S404-G418 VanDerWaalsContact OG-O 3.14Å; G418-S421 WeakPolarHBondContact O-CB 3.29Å; G418-S421 PolarHBondContact O-OG 2.91Å; G418-V434 PolarHBondContact N-O 2.97Å
419G97.5Very high98Very high15 Ų1519.7 Ų19.716%0.15512%0.122CC..SBendtrans-60.7154.3-169.900000114.2E401 A402 S404 S421 A436 G437E401-G419 VanDerWaalsContact CB-N 3.34Å; E401-G419 PolarHBondContact OE2-N 3.1Å; A402-G419 VanDerWaalsContact O-CA 3.22Å; A402-G419 WeakPolarHBondContact O-CA 3.31Å; S404-G419 WeakPolarHBondContact OG-CA 3.41Å; G419-S421 VanDerWaalsContact C-N 3.27Å; G419-S421 PolarHBondContact O-N 2.75Å; G419-S421 PolarHBondContact O-OG 3.04Å; G419-A436 CarbonylContact O-C 3.52Å; G419-A436 VanDerWaalsContact O-CA 3.26Å; G419-A436 WeakPolarHBondContact O-CA 3.37Å; G419-A436 VanDerWaalsContact O-CB 3.3Å; G419-A436 WeakPolarHBondContact O-CB 3.38Å; G419-G437 PolarHBondContact O-N 2.88Å
420G97.6Very high98Very high24 Ų2423.6 Ų23.625%0.24715%0.147CC..SBendtrans64.927.6178.800000113.9A402 G403 S404 G437 I460A402-G420 PolarHBondContact O-N 3.27Å; G403-G420 VanDerWaalsContact O-CA 3.26Å; G403-G420 WeakPolarHBondContact O-CA 3.39Å; S404-G420 PolarHBondContact OG-N 3Å; G420-G437 WeakPolarHBondContact O-CA 3.5Å; G420-I460 WeakPolarHBondContact O-CG1 3.18Å
421S98.4Very high98Very high0 Ų023.7 Ų23.70%016%0.163CC..  trans-108.3152.5-175.1-60.20000112.8S404 V405 G418 G419 P435 G437 A438S404-S421 CarbonylContact C-O 3.45Å; S404-S421 WeakPolarHBondContact CA-O 3.37Å; S404-S421 WeakPolarHBondContact CB-O 3.22Å; S404-S421 PolarHBondContact OG-N 3.43Å; V405-S421 PolarHBondContact N-O 2.97Å; G418-S421 WeakPolarHBondContact O-CB 3.29Å; G418-S421 PolarHBondContact O-OG 2.91Å; G419-S421 VanDerWaalsContact C-N 3.27Å; G419-S421 PolarHBondContact O-N 2.75Å; G419-S421 PolarHBondContact O-OG 3.04Å; S421-P435 PolarHBondContact OG-O 2.73Å; S421-G437 PolarHBondContact OG-N 3.12Å; S421-A438 CarbonylContact C-O 3.44Å; S421-A438 WeakPolarHBondContact CA-O 3.39Å; S421-A438 VanDerWaalsContact CB-O 3.24Å; S421-A438 WeakPolarHBondContact CB-O 3.29Å; S421-A438 PolarHBondContact OG-N 3.47Å
422I98.6Very high98Very high0 Ų025.5 Ų25.50%017%0.172CC..EExtended strand (participates in β ladder)trans-115.9118171.1-62.4168.4000109.1T352 Y355 L356 V405 A438 F439 M440 I460T352-I422 HydrophobicContact CG2-CD1 3.84Å; Y355-I422 HydrophobicContact CD1-CD1 4.2Å; L356-I422 HydrophobicContact CD1-CD1 3.96Å; L356-I422 HydrophobicContact CD1-CG1 3.88Å; L356-I422 HydrophobicContact CD2-CD1 4.34Å; L356-I422 HydrophobicContact CD2-CG1 3.61Å; L356-I422 HydrophobicContact CG-CD1 3.84Å; L356-I422 HydrophobicContact CG-CG1 3.67Å; V405-I422 WeakPolarHBondContact O-CA 3.26Å; I422-A438 PolarHBondContact N-O 3.14Å; I422-F439 HydrophobicContact CB-CD2 3.81Å; I422-F439 HydrophobicContact CB-CE2 4.45Å; I422-F439 HydrophobicContact CD1-CD2 4.06Å; I422-F439 HydrophobicContact CG2-CD2 3.84Å; I422-F439 HydrophobicContact CG2-CE2 3.97Å; I422-F439 WeakPolarHBondContact O-CA 3.15Å; I422-M440 PolarHBondContact O-N 3.29Å; I422-I460 HydrophobicContact CB-CD1 4.45Å; I422-I460 HydrophobicContact CD1-CD1 4Å; I422-I460 HydrophobicContact CG1-CD1 4.05Å
423I98.6Very high98Very high0 Ų025.7 Ų25.70%018%0.179CC..EExtended strand (participates in β ladder)trans-111.9110.4171.6-54.2-58.1000108.7V405 V406 E407 S409 L411 V417 C426 V434 M440V405-I423 PolarHBondContact O-N 2.97Å; V406-I423 WeakPolarHBondContact CA-O 3.44Å; V406-I423 HydrophobicContact CG1-CB 4.41Å; V406-I423 HydrophobicContact CG2-CB 4.35Å; E407-I423 PolarHBondContact N-O 3.08Å; S409-I423 PolarHBondContact OG-O 3.18Å; L411-I423 HydrophobicContact CD2-CG2 4.49Å; V417-I423 HydrophobicContact CG1-CG1 3.95Å; V417-I423 HydrophobicContact CG2-CG1 4.19Å; I423-C426 HydrophobicContact CG2-CB 3.65Å; I423-V434 HydrophobicContact CD1-CB 4.47Å; I423-V434 HydrophobicContact CD1-CG1 3.92Å; I423-V434 HydrophobicContact CD1-CG2 4.09Å; I423-M440 HydrophobicContact CD1-CB 4.01Å; I423-M440 HydrophobicContact CD1-CG 4.36Å
424S98.3Very high98.1Very high1 Ų122.5 Ų22.51%0.00716%0.16CC..EExtended strand (participates in β ladder)trans-125.2125.9-175.1-179.60000112.7S123 E407 C426 M440 H441 T442S123-S424 WeakPolarHBondContact CB-OG 3.37Å; E407-S424 WeakPolarHBondContact O-CA 3.21Å; E407-S424 WeakPolarHBondContact OE1-CB 3.19Å; E407-S424 PolarHBondContact OE1-OG 3.08Å; S424-C426 PolarHBondContact O-N 3.21Å; S424-C426 PolarHBondContact O-SG 3.18Å; S424-C426 VanDerWaalsContact O-SG 3.34Å; S424-M440 PolarHBondContact N-O 3.31Å; S424-H441 VanDerWaalsContact O-CA 3.27Å; S424-H441 WeakPolarHBondContact O-CA 3.31Å; S424-H441 PolarHBondContact O-ND1 3.35Å; S424-H441 PolarHBondContact OG-ND1 3.04Å; S424-T442 PolarHBondContact O-N 2.85Å
425S97.8Very high98.1Very high15 Ų1522.2 Ų22.211%0.10515%0.151CC..SBendtrans58.232.8177.8-51.60000113.9E407 Y408 S409 T442 Q521E407-S425 PolarHBondContact O-N 2.74Å; Y408-S425 VanDerWaalsContact O-CA 3.28Å; Y408-S425 WeakPolarHBondContact O-CA 3.28Å; S409-S425 PolarHBondContact OG-N 3.02Å; S425-T442 VanDerWaalsContact O-CB 3.31Å; S425-T442 WeakPolarHBondContact O-CB 3.48Å; S425-Q521 PolarHBondContact O-NE2 3.34Å
426C98.4Very high98.1Very high1 Ų125 Ų251%0.00717%0.174CC..  trans-105.6150.5-175.1-69.60000112.2S409 R410 I423 S424 V428 T442 F525S409-C426 CarbonylContact C-O 3.51Å; S409-C426 WeakPolarHBondContact CA-O 3.47Å; S409-C426 VanDerWaalsContact CB-O 3.28Å; S409-C426 WeakPolarHBondContact CB-O 3.28Å; S409-C426 PolarHBondContact OG-N 2.85Å; R410-C426 PolarHBondContact N-O 2.87Å; I423-C426 HydrophobicContact CG2-CB 3.65Å; S424-C426 PolarHBondContact O-N 3.21Å; S424-C426 PolarHBondContact O-SG 3.18Å; S424-C426 VanDerWaalsContact O-SG 3.34Å; C426-V428 HydrophobicContact CB-CG2 4.28Å; C426-T442 PolarHBondContact SG-OG1 3.48Å; C426-F525 HydrophobicContact CB-CD2 3.72Å; C426-F525 HydrophobicContact CB-CE2 3.85Å
427W98.3Very high98.1Very high78 Ų7824.8 Ų24.830%0.29518%0.177SC..EExtended strand (participates in β ladder)trans-117.7108166.3-166.3-16.3000108.4R410 E412 Q521 Q522R410-W427 HydrophobicContact CB-CD2 4.4Å; R410-W427 HydrophobicContact CB-CG 3.99Å; R410-W427 WeakPolarHBondContact O-CA 3.17Å; E412-W427 PolarHBondContact OE1-NE1 2.8Å; W427-Q521 HydrophobicContact CB-CB 4.33Å; W427-Q521 HydrophobicContact CB-CG 4Å; W427-Q522 HydrophobicContact CB-CG 3.98Å; W427-Q522 HydrophobicContact CD2-CG 4Å; W427-Q522 HydrophobicContact CG-CG 3.61Å; W427-Q522 VanDerWaalsContact NE1-NE2 3.15Å
428V98.5Very high98.2Very high0 Ų024.8 Ų24.80%018%0.177CC..EExtended strand (participates in β ladder)trans-99.4116.9-172.2-1720000109.6R410 L411 E412 V415 C426 L432 F525R410-V428 PolarHBondContact O-N 2.93Å; L411-V428 HydrophobicContact CD2-CB 3.73Å; L411-V428 HydrophobicContact CD2-CG2 3.38Å; E412-V428 VanDerWaalsContact CB-O 3.32Å; E412-V428 WeakPolarHBondContact CB-O 3.39Å; E412-V428 WeakPolarHBondContact CG-O 3.41Å; E412-V428 PolarHBondContact N-O 2.74Å; E412-V428 VanDerWaalsContact N-O 3.11Å; V415-V428 HydrophobicContact CB-CG1 4.32Å; V415-V428 HydrophobicContact CG1-CB 4.19Å; V415-V428 HydrophobicContact CG1-CG1 3.64Å; V415-V428 HydrophobicContact CG2-CB 4.16Å; V415-V428 HydrophobicContact CG2-CG1 3.61Å; C426-V428 HydrophobicContact CB-CG2 4.28Å; V428-L432 HydrophobicContact CG1-CB 3.88Å; V428-L432 HydrophobicContact CG1-CD1 4.1Å; V428-F525 HydrophobicContact CB-CD1 4.34Å; V428-F525 HydrophobicContact CB-CE1 4.05Å; V428-F525 HydrophobicContact CB-CZ 4.36Å; V428-F525 HydrophobicContact CG1-CD1 4.06Å; V428-F525 HydrophobicContact CG1-CE1 3.5Å; V428-F525 HydrophobicContact CG1-CZ 4.06Å; V428-F525 HydrophobicContact CG2-CD1 4.07Å; V428-F525 HydrophobicContact CG2-CD2 4.2Å; V428-F525 HydrophobicContact CG2-CE1 3.65Å; V428-F525 HydrophobicContact CG2-CE2 3.77Å; V428-F525 HydrophobicContact CG2-CG 4.34Å; V428-F525 HydrophobicContact CG2-CZ 3.48Å; V428-F525 VanDerWaalsContact CG2-CZ 3.48Å
429S98.2Very high98.2Very high22 Ų2224.5 Ų24.515%0.15417%0.174CC..PPolyproline II helixtrans-63.5158.8179.9-52.80000112.7V415 L432V415-S429 WeakPolarHBondContact CG2-O 3.28Å; S429-L432 WeakPolarHBondContact O-CG 3.22Å
430P98.4Very high98.3Very high83 Ų8323.8 Ų23.854%0.53917%0.166SC..THydrogen-bonded Turntrans-55.2141.5-177.3-24.731.2000114.1E412 T413 L432E412-P430 HydrophobicContact CB-CB 4.38Å; E412-P430 HydrophobicContact CB-CG 3.78Å; E412-P430 HydrophobicContact CG-CG 4.46Å; T413-P430 CarbonylContact O-C 3.43Å; T413-P430 WeakPolarHBondContact O-CA 3.49Å; T413-P430 WeakPolarHBondContact O-CB 3.24Å; P430-L432 VanDerWaalsContact C-N 3.25Å; P430-L432 PolarHBondContact O-N 3.37Å
431G97.5Very high98.3Very high48 Ų4822.7 Ų22.750%0.49516%0.155SC..THydrogen-bonded Turntrans71.87.8172.200000116.1T413 G414T413-G431 PolarHBondContact O-N 3.24Å; G414-G431 WeakPolarHBondContact O-CA 3.28Å
432L98.3Very high98.3Very high41 Ų4122.9 Ų22.922%0.21516%0.156CC..  trans-79.9141.5178-64.7-176.5000111.9V415 S416 V428 S429 P430 F525 L529V415-L432 WeakPolarHBondContact CA-O 3.44Å; S416-L432 PolarHBondContact N-O 3.31Å; V428-L432 HydrophobicContact CG1-CB 3.88Å; V428-L432 HydrophobicContact CG1-CD1 4.1Å; S429-L432 WeakPolarHBondContact O-CG 3.22Å; P430-L432 VanDerWaalsContact C-N 3.25Å; P430-L432 PolarHBondContact O-N 3.37Å; L432-F525 HydrophobicContact CD1-CD1 4.15Å; L432-F525 HydrophobicContact CD1-CE1 4.3Å; L432-L529 HydrophobicContact CB-CD2 3.91Å; L432-L529 HydrophobicContact CD1-CD2 4.21Å; L432-L529 HydrophobicContact CD2-CD2 4.41Å; L432-L529 HydrophobicContact CG-CD2 4.41Å
433C98.1Very high98.3Very high63 Ų6322.9 Ų22.943%0.42616%0.156SC..EExtended strand (participates in β ladder)trans-115.2114.8178.7-54.90000110.7S416 Q533S416-C433 WeakPolarHBondContact O-CA 3.3Å; S416-C433 WeakPolarHBondContact OG-CA 3.41Å; S416-C433 VanDerWaalsContact OG-CB 3.28Å; S416-C433 WeakPolarHBondContact OG-CB 3.3Å; S416-C433 PolarHBondContact OG-SG 3.33Å; C433-Q533 PolarHBondContact O-NE2 2.97Å
434V98.4Very high98.2Very high5 Ų523 Ų233%0.0316%0.157CC..EExtended strand (participates in β ladder)trans-83128.1172.8-173.60000109.3S416 V417 G418 I423 A438 M440 F525S416-V434 PolarHBondContact O-N 3.13Å; V417-V434 HydrophobicContact CG2-CG2 4.45Å; G418-V434 PolarHBondContact N-O 2.97Å; I423-V434 HydrophobicContact CD1-CB 4.47Å; I423-V434 HydrophobicContact CD1-CG1 3.92Å; I423-V434 HydrophobicContact CD1-CG2 4.09Å; V434-A438 HydrophobicContact CG1-CB 3.9Å; V434-M440 HydrophobicContact CG1-SD 4.07Å; V434-F525 HydrophobicContact CG2-CE1 4.41Å; V434-F525 HydrophobicContact CG2-CZ 3.82Å
435P98.1Very high98.2Very high30 Ų3023 Ų2320%0.19516%0.157CC..PPolyproline II helixtrans-66.7156.3175.729.7-35.6000112.2S421 A438 L532 L536S421-P435 PolarHBondContact OG-O 2.73Å; P435-A438 HydrophobicContact CG-CB 4.29Å; P435-A438 VanDerWaalsContact O-CB 3.32Å; P435-A438 WeakPolarHBondContact O-CB 3.38Å; P435-L532 HydrophobicContact CG-CD2 3.62Å; P435-L532 HydrophobicContact CG-CG 3.9Å; P435-L536 HydrophobicContact CB-CD1 3.47Å; P435-L536 VanDerWaalsContact CB-CD1 3.47Å; P435-L536 HydrophobicContact CG-CD1 3.5Å; P435-L536 VanDerWaalsContact CG-CD1 3.5Å
436A98Very high98.1Very high59 Ų5925 Ų2549%0.48817%0.169SC..THydrogen-bonded Turntrans-62.5152.9174.900000112.5G419 A438G419-A436 CarbonylContact O-C 3.52Å; G419-A436 VanDerWaalsContact O-CA 3.26Å; G419-A436 WeakPolarHBondContact O-CA 3.37Å; G419-A436 VanDerWaalsContact O-CB 3.3Å; G419-A436 WeakPolarHBondContact O-CB 3.38Å; A436-A438 PolarHBondContact O-N 2.96Å
437G98Very high97.9Very high28 Ų2826.5 Ų26.529%0.28918%0.175SC..THydrogen-bonded Turntrans68.119.1178.600000114.3G419 G420 S421 I460G419-G437 PolarHBondContact O-N 2.88Å; G420-G437 WeakPolarHBondContact O-CA 3.5Å; S421-G437 PolarHBondContact OG-N 3.12Å; G437-I460 PolarHBondContact O-N 3.44Å; G437-I460 VanDerWaalsContact O-N 3.13Å
438A98.4Very high97.7Very high0 Ų030.2 Ų30.20%020%0.196CC..EExtended strand (participates in β ladder)trans-95.8130-177.500000112S421 I422 V434 P435 A436 F480 L532S421-A438 CarbonylContact C-O 3.44Å; S421-A438 WeakPolarHBondContact CA-O 3.39Å; S421-A438 VanDerWaalsContact CB-O 3.24Å; S421-A438 WeakPolarHBondContact CB-O 3.29Å; S421-A438 PolarHBondContact OG-N 3.47Å; I422-A438 PolarHBondContact N-O 3.14Å; V434-A438 HydrophobicContact CG1-CB 3.9Å; P435-A438 HydrophobicContact CG-CB 4.29Å; P435-A438 VanDerWaalsContact O-CB 3.32Å; P435-A438 WeakPolarHBondContact O-CB 3.38Å; A436-A438 PolarHBondContact O-N 2.96Å; A438-F480 HydrophobicContact CB-CE1 4.31Å; A438-F480 HydrophobicContact CB-CZ 4.1Å; A438-L532 HydrophobicContact CB-CD2 3.98Å
439F98.7Very high97.4Very high1 Ų140 Ų400%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-93.9125.8159.4174.3-87.8000108.6P122 T352 I422 H441 V456 F457 F458 I460P122-F439 HydrophobicContact CB-CE1 3.76Å; P122-F439 HydrophobicContact CB-CZ 3.68Å; P122-F439 HydrophobicContact CG-CE1 4.09Å; P122-F439 HydrophobicContact CG-CZ 4.11Å; T352-F439 HydrophobicContact CG2-CD2 3.79Å; T352-F439 HydrophobicContact CG2-CE2 4.23Å; T352-F439 HydrophobicContact CG2-CG 4.5Å; I422-F439 HydrophobicContact CB-CD2 3.81Å; I422-F439 HydrophobicContact CB-CE2 4.45Å; I422-F439 HydrophobicContact CD1-CD2 4.06Å; I422-F439 HydrophobicContact CG2-CD2 3.84Å; I422-F439 HydrophobicContact CG2-CE2 3.97Å; I422-F439 WeakPolarHBondContact O-CA 3.15Å; F439-H441 HydrophobicContact CE1-CB 3.62Å; F439-H441 HydrophobicContact CZ-CB 3.52Å; F439-V456 HydrophobicContact CE1-CG2 4.11Å; F439-F457 WeakPolarHBondContact O-CA 3.35Å; F439-F458 WeakPolarHBondContact CB-O 3.33Å; F439-F458 HydrophobicContact CD1-CB 4.49Å; F439-F458 AromaticContact CD1-CD2 3.85Å; F439-F458 HydrophobicContact CD1-CD2 3.85Å; F439-F458 HydrophobicContact CE1-CD2 4.21Å; F439-F458 PolarHBondContact N-O 3.47Å; F439-F458 PolarHBondContact O-N 2.89Å; F439-I460 HydrophobicContact CB-CD1 3.96Å
440M98.8Very high97.3Very high0 Ų045.4 Ų45.40%026%0.262CS..EExtended strand (participates in β ladder)trans-134.4127.7171.6-60.9-170.474.100111I422 I423 S424 V434 T455 V456 F457 F525 L529 L532I422-M440 PolarHBondContact O-N 3.29Å; I423-M440 HydrophobicContact CD1-CB 4.01Å; I423-M440 HydrophobicContact CD1-CG 4.36Å; S424-M440 PolarHBondContact N-O 3.31Å; V434-M440 HydrophobicContact CG1-SD 4.07Å; M440-T455 HydrophobicContact CB-CG2 4.48Å; M440-T455 HydrophobicContact CE-CG2 3.84Å; M440-V456 WeakPolarHBondContact CA-O 3.36Å; M440-F457 HydrophobicContact CE-CB 4.44Å; M440-F457 HydrophobicContact CG-CB 4.02Å; M440-F525 HydrophobicContact CB-CE2 4.08Å; M440-F525 HydrophobicContact CE-CD2 3.96Å; M440-F525 HydrophobicContact CE-CE1 4.42Å; M440-F525 HydrophobicContact CE-CE2 3.62Å; M440-F525 HydrophobicContact CE-CZ 3.87Å; M440-F525 HydrophobicContact SD-CE2 3.7Å; M440-F525 HydrophobicContact SD-CZ 3.67Å; M440-L529 HydrophobicContact CE-CB 4.08Å; M440-L529 HydrophobicContact SD-CD1 4.17Å; M440-L532 HydrophobicContact SD-CD2 4.42Å
441H98.6Very high97.2Very high2 Ų245.1 Ų45.11%0.00925%0.254CS..EExtended strand (participates in β ladder)trans-138132.2-179.5177.666.1000111.8S424 F439 T455 V456S424-H441 VanDerWaalsContact O-CA 3.27Å; S424-H441 WeakPolarHBondContact O-CA 3.31Å; S424-H441 PolarHBondContact O-ND1 3.35Å; S424-H441 PolarHBondContact OG-ND1 3.04Å; F439-H441 HydrophobicContact CE1-CB 3.62Å; F439-H441 HydrophobicContact CZ-CB 3.52Å; H441-T455 CarbonylContact O-C 3.56Å; H441-T455 WeakPolarHBondContact O-CA 3.44Å; H441-V456 HydrophobicContact CB-CG2 4.07Å; H441-V456 PolarHBondContact N-O 2.97Å; H441-V456 WeakPolarHBondContact O-CG2 3.32Å; H441-V456 PolarHBondContact O-N 2.99Å
442T98.6Very high97.2Very high4 Ų443.3 Ų43.33%0.02524%0.235CC..EExtended strand (participates in β ladder)trans-103.5124.3178.4-48.50000112.3S424 S425 C426 F453 T455 Q521S424-T442 PolarHBondContact O-N 2.85Å; S425-T442 VanDerWaalsContact O-CB 3.31Å; S425-T442 WeakPolarHBondContact O-CB 3.48Å; C426-T442 PolarHBondContact SG-OG1 3.48Å; T442-F453 HydrophobicContact CG2-CB 4.19Å; T442-F453 HydrophobicContact CG2-CD1 4.35Å; T442-T455 WeakPolarHBondContact CG2-OG1 3.47Å; T442-T455 PolarHBondContact OG1-OG1 3.38Å; T442-Q521 HydrophobicContact CG2-CG 3.8Å
443L97.9Very high97.2Very high0 Ų042.5 Ų42.50%023%0.229CC..EExtended strand (participates in β ladder)trans-102.7142.9177.7-68142.1000110.1A126 V445 F453 V454 V456 M552 C555 M564A126-L443 HydrophobicContact CB-CD2 3.65Å; L443-V445 HydrophobicContact CB-CG1 4.45Å; L443-F453 WeakPolarHBondContact O-CA 3.28Å; L443-V454 PolarHBondContact N-O 3.06Å; L443-V454 PolarHBondContact O-N 2.73Å; L443-V456 HydrophobicContact CD1-CG1 4.05Å; L443-V456 HydrophobicContact CD1-CG2 4.48Å; L443-M552 HydrophobicContact CD1-CE 4.03Å; L443-M552 HydrophobicContact CD1-SD 3.54Å; L443-M552 VanDerWaalsContact CD1-SD 3.54Å; L443-C555 HydrophobicContact CB-CB 4.48Å; L443-C555 HydrophobicContact CD1-CB 3.74Å; L443-M564 HydrophobicContact CD2-CE 4.09Å; L443-M564 HydrophobicContact CD2-SD 4.44Å
444C97.5Very high97.3Very high3 Ų339.5 Ų39.52%0.0221%0.209CC..EExtended strand (participates in β ladder)trans-90.9129.7164.5-56.90000108.5S452 F453 K559 N560 E563 M564 L567C444-S452 WeakPolarHBondContact CA-O 3.25Å; C444-F453 VanDerWaalsContact SG-CE1 3.51Å; C444-K559 CarbonylContact O-C 3.5Å; C444-K559 WeakPolarHBondContact O-CA 3.15Å; C444-N560 HydrophobicContact CB-CB 4.36Å; C444-N560 PolarHBondContact O-N 2.87Å; C444-E563 HydrophobicContact CB-CB 4.43Å; C444-M564 HydrophobicContact CB-CG 3.67Å; C444-L567 WeakPolarHBondContact SG-CD1 3.43Å
445V97.1Very high97.3Very high0 Ų039.3 Ų39.30%021%0.208CC..EExtended strand (participates in β ladder)trans-127.9151.9-179.7-600000110.4L443 S452 V454 M550 C555 R558L443-V445 HydrophobicContact CB-CG1 4.45Å; V445-S452 PolarHBondContact N-O 2.74Å; V445-S452 PolarHBondContact O-N 3.42Å; V445-V454 HydrophobicContact CG1-CG2 4.44Å; V445-V454 HydrophobicContact CG2-CG2 3.9Å; V445-M550 HydrophobicContact CG2-CE 4.46Å; V445-M550 HydrophobicContact CG2-SD 4.11Å; V445-C555 HydrophobicContact CG1-CB 3.99Å; V445-R558 CarbonylContact C-O 3.58Å; V445-R558 VanDerWaalsContact CA-O 3.3Å; V445-R558 WeakPolarHBondContact CA-O 3.16Å; V445-R558 HydrophobicContact CB-CB 4.29Å
446T96.4Very high97.3Very high57 Ų5737.9 Ų37.935%0.3520%0.198SC..EExtended strand (participates in β ladder)trans-92.9105.5168.8-53.10000108.5Q450 R558 N560T446-Q450 CarbonylContact C-O 3.55Å; T446-Q450 WeakPolarHBondContact CA-O 3.38Å; T446-R558 PolarHBondContact N-O 3.37Å; T446-N560 PolarHBondContact OG1-ND2 2.82Å; T446-N560 VanDerWaalsContact OG1-ND2 3.14Å
447H94.7Very high97.3Very high32 Ų3235 Ų3515%0.14818%0.175CC..EExtended strand (participates in β ladder)trans-116.8126.3177.8-177-113.5000109.7K449 Q450 V517 M550H447-K449 PolarHBondContact O-N 2.9Å; H447-K449 VanDerWaalsContact O-N 3.15Å; H447-Q450 PolarHBondContact N-O 3.03Å; H447-Q450 PolarHBondContact O-N 2.79Å; H447-Q450 VanDerWaalsContact O-O 3.11Å; H447-V517 HydrophobicContact CB-CG1 4.14Å; H447-M550 HydrophobicContact CB-CE 4.02Å; H447-M550 WeakPolarHBondContact CD2-CE 3.4Å
448Q92.6Very high97.3Very high156 Ų15633.9 Ų33.973%0.72916%0.162SC*.THydrogen-bonded Turntrans50.739.9-177.9-60.4178-1.200113.7Q450Q448-Q450 PolarHBondContact O-N 3.27Å
449K92.8Very high97.3Very high206 Ų20634.2 Ų34.290%0.89617%0.166SC*.THydrogen-bonded Turntrans64.214.1-176.4-51.3179.6179.9179.50115H447H447-K449 PolarHBondContact O-N 2.9Å; H447-K449 VanDerWaalsContact O-N 3.15Å
450Q95.4Very high97.2Very high136 Ų13634.9 Ų34.964%0.63617%0.169SC*.EExtended strand (participates in β ladder)trans-115.4153.2173.8-63-175.2-5.600110.3T446 H447 Q448T446-Q450 CarbonylContact C-O 3.55Å; T446-Q450 WeakPolarHBondContact CA-O 3.38Å; H447-Q450 PolarHBondContact N-O 3.03Å; H447-Q450 PolarHBondContact O-N 2.79Å; H447-Q450 VanDerWaalsContact O-O 3.11Å; Q448-Q450 PolarHBondContact O-N 3.27Å
451I97.2Very high97.1Very high76 Ų7642 Ų4239%0.3920%0.203SC..EExtended strand (participates in β ladder)trans-72.5131.5169.8-62.5173.3000107.4F453 E563I451-F453 HydrophobicContact CG2-CE2 4.43Å; I451-F453 HydrophobicContact CG2-CZ 4.35Å; I451-E563 HydrophobicContact CD1-CB 4.28Å; I451-E563 HydrophobicContact CD1-CG 4.03Å; I451-E563 HydrophobicContact CG2-CG 4.07Å
452S97.9Very high97Very high11 Ų1143.1 Ų43.18%0.07721%0.208CC..EExtended strand (participates in β ladder)trans-140.2167.5175.9-57.60000109.7C444 V445 C518C444-S452 WeakPolarHBondContact CA-O 3.25Å; V445-S452 PolarHBondContact N-O 2.74Å; V445-S452 PolarHBondContact O-N 3.42Å; S452-C518 CarbonylContact C-O 3.5Å; S452-C518 WeakPolarHBondContact CA-O 3.49Å; S452-C518 WeakPolarHBondContact CB-O 3.34Å
453F98.4Very high96.8Very high24 Ų2447.2 Ų47.211%0.10523%0.23CC..EExtended strand (participates in β ladder)trans-123.3138.9-175.3-59.6-89.6000110.3T442 L443 C444 I451 C518 S519 E520 Q521 S524 L567T442-F453 HydrophobicContact CG2-CB 4.19Å; T442-F453 HydrophobicContact CG2-CD1 4.35Å; L443-F453 WeakPolarHBondContact O-CA 3.28Å; C444-F453 VanDerWaalsContact SG-CE1 3.51Å; I451-F453 HydrophobicContact CG2-CE2 4.43Å; I451-F453 HydrophobicContact CG2-CZ 4.35Å; F453-C518 PolarHBondContact N-O 3.18Å; F453-C518 PolarHBondContact O-N 3.34Å; F453-S519 WeakPolarHBondContact CD2-O 3.46Å; F453-S519 WeakPolarHBondContact CE2-O 3.3Å; F453-E520 VanDerWaalsContact CD2-C 3.49Å; F453-Q521 HydrophobicContact CD1-CB 3.91Å; F453-Q521 HydrophobicContact CD1-CG 4.14Å; F453-Q521 HydrophobicContact CE1-CB 4.1Å; F453-Q521 HydrophobicContact CE1-CG 4.49Å; F453-Q521 HydrophobicContact CG-CB 4.2Å; F453-S524 PolarHBondContact O-OG 2.96Å; F453-S524 VanDerWaalsContact O-OG 3.07Å; F453-L567 HydrophobicContact CE1-CD1 3.95Å
454V98.8Very high96.7Very high0 Ų047.8 Ų47.80%023%0.233CC..EExtended strand (participates in β ladder)trans-132.2115.4174.1-176.30000108.5L443 V445 V456 F515 V517 S524 M550 C555L443-V454 PolarHBondContact N-O 3.06Å; L443-V454 PolarHBondContact O-N 2.73Å; V445-V454 HydrophobicContact CG1-CG2 4.44Å; V445-V454 HydrophobicContact CG2-CG2 3.9Å; V454-V456 HydrophobicContact CG1-CG1 4.37Å; V454-F515 HydrophobicContact CG1-CB 3.38Å; V454-F515 HydrophobicContact CG1-CG 4.43Å; V454-V517 HydrophobicContact CG2-CB 4.41Å; V454-V517 HydrophobicContact CG2-CG2 3.91Å; V454-S524 VanDerWaalsContact CA-OG 3.26Å; V454-S524 WeakPolarHBondContact CA-OG 3.26Å; V454-S524 PolarHBondContact N-OG 2.86Å; V454-M550 HydrophobicContact CG2-CB 4.47Å; V454-M550 HydrophobicContact CG2-SD 4.1Å; V454-C555 VanDerWaalsContact CG1-SG 3.57Å
455T98.8Very high96.4Very high0 Ų053.2 Ų53.20%026%0.257CS..EExtended strand (participates in β ladder)trans-91.3111.1170.9-56.50000109.2M440 H441 T442 S524 F525 S528M440-T455 HydrophobicContact CB-CG2 4.48Å; M440-T455 HydrophobicContact CE-CG2 3.84Å; H441-T455 CarbonylContact O-C 3.56Å; H441-T455 WeakPolarHBondContact O-CA 3.44Å; T442-T455 WeakPolarHBondContact CG2-OG1 3.47Å; T442-T455 PolarHBondContact OG1-OG1 3.38Å; T455-S524 PolarHBondContact N-OG 3.43Å; T455-S524 PolarHBondContact OG1-OG 3.38Å; T455-F525 HydrophobicContact CG2-CD2 3.89Å; T455-F525 WeakPolarHBondContact OG1-CA 3.22Å; T455-F525 PolarHBondContact OG1-N 2.81Å; T455-F525 VanDerWaalsContact OG1-N 3.14Å; T455-S528 WeakPolarHBondContact O-CB 3.03Å; T455-S528 PolarHBondContact O-OG 3.5Å
456V98.7Very high96.1Very high0 Ų056.6 Ų56.60%027%0.272CS..EExtended strand (participates in β ladder)trans-84.2149.8172.1-55.50000109.9F439 M440 H441 L443 V454 F458 F515 M552F439-V456 HydrophobicContact CE1-CG2 4.11Å; M440-V456 WeakPolarHBondContact CA-O 3.36Å; H441-V456 HydrophobicContact CB-CG2 4.07Å; H441-V456 PolarHBondContact N-O 2.97Å; H441-V456 WeakPolarHBondContact O-CG2 3.32Å; H441-V456 PolarHBondContact O-N 2.99Å; L443-V456 HydrophobicContact CD1-CG1 4.05Å; L443-V456 HydrophobicContact CD1-CG2 4.48Å; V454-V456 HydrophobicContact CG1-CG1 4.37Å; V456-F458 HydrophobicContact CB-CE2 4.06Å; V456-F458 HydrophobicContact CG2-CE2 4.05Å; V456-F515 HydrophobicContact CB-CD1 4.29Å; V456-F515 HydrophobicContact CB-CD2 4.05Å; V456-F515 HydrophobicContact CB-CE1 4.19Å; V456-F515 HydrophobicContact CB-CE2 3.92Å; V456-F515 HydrophobicContact CB-CG 4.22Å; V456-F515 HydrophobicContact CB-CZ 3.98Å; V456-F515 HydrophobicContact CG1-CB 4.46Å; V456-F515 HydrophobicContact CG1-CD1 4.47Å; V456-F515 HydrophobicContact CG1-CD2 3.56Å; V456-F515 HydrophobicContact CG1-CE2 3.82Å; V456-F515 HydrophobicContact CG1-CG 3.9Å; V456-F515 HydrophobicContact CG1-CZ 4.38Å; V456-M552 HydrophobicContact CG1-SD 3.99Å; V456-M552 HydrophobicContact CG2-SD 4.11Å
457F98.5Very high96Very high0 Ų056.9 Ų56.90%028%0.276CS..EExtended strand (participates in β ladder)trans-140.8142.6173.865.6-90.2000111.9F439 M440 L479 F480 W491 F515 M531 L532F439-F457 WeakPolarHBondContact O-CA 3.35Å; M440-F457 HydrophobicContact CE-CB 4.44Å; M440-F457 HydrophobicContact CG-CB 4.02Å; F457-L479 HydrophobicContact CE2-CD2 4.28Å; F457-F480 HydrophobicContact CD2-CE2 4.15Å; F457-W491 HydrophobicContact CE2-CZ2 4.12Å; F457-W491 HydrophobicContact CZ-CH2 4.19Å; F457-W491 AromaticContact CZ-CZ2 3.74Å; F457-W491 HydrophobicContact CZ-CZ2 3.74Å; F457-F515 AromaticContact CD1-CD1 3.84Å; F457-F515 HydrophobicContact CD1-CD1 3.84Å; F457-F515 AromaticContact CD1-CE1 3.61Å; F457-F515 HydrophobicContact CD1-CE1 3.61Å; F457-F515 AromaticContact CE1-CD1 3.89Å; F457-F515 HydrophobicContact CE1-CD1 3.89Å; F457-F515 AromaticContact CE1-CE1 3.79Å; F457-F515 HydrophobicContact CE1-CE1 3.79Å; F457-F515 HydrophobicContact CG-CE1 4.09Å; F457-F515 HydrophobicContact CZ-CE1 4.37Å; F457-M531 HydrophobicContact CE1-CB 4.06Å; F457-M531 HydrophobicContact CZ-CB 3.93Å; F457-L532 HydrophobicContact CD2-CB 3.92Å; F457-L532 HydrophobicContact CD2-CD1 4.02Å; F457-L532 HydrophobicContact CD2-CD2 4.4Å; F457-L532 HydrophobicContact CD2-CG 4.33Å; F457-L532 HydrophobicContact CE2-CB 3.98Å; F457-L532 HydrophobicContact CE2-CD1 4.24Å; F457-L532 HydrophobicContact CG-CB 4.33Å; F457-L532 HydrophobicContact CZ-CB 4.43Å
458F98.3Very high95.9Very high3 Ų355.7 Ų55.71%0.01327%0.272CS..EExtended strand (participates in β ladder)trans-148.3161178.5-56.4-70.8000109.3P122 F439 V456 L464 L479 F480 L509 F515 M552P122-F458 HydrophobicContact CG-CD2 4.44Å; F439-F458 WeakPolarHBondContact CB-O 3.33Å; F439-F458 HydrophobicContact CD1-CB 4.49Å; F439-F458 AromaticContact CD1-CD2 3.85Å; F439-F458 HydrophobicContact CD1-CD2 3.85Å; F439-F458 HydrophobicContact CE1-CD2 4.21Å; F439-F458 PolarHBondContact N-O 3.47Å; F439-F458 PolarHBondContact O-N 2.89Å; V456-F458 HydrophobicContact CB-CE2 4.06Å; V456-F458 HydrophobicContact CG2-CE2 4.05Å; F458-L464 HydrophobicContact CB-CD2 4.24Å; F458-L464 HydrophobicContact CD1-CD1 4.44Å; F458-L464 HydrophobicContact CD1-CD2 3.39Å; F458-L464 HydrophobicContact CD2-CD1 3.9Å; F458-L464 HydrophobicContact CD2-CD2 4.3Å; F458-L464 HydrophobicContact CE1-CD2 3.72Å; F458-L464 HydrophobicContact CE2-CD1 4.02Å; F458-L464 HydrophobicContact CG-CD1 4.13Å; F458-L464 HydrophobicContact CG-CD2 3.72Å; F458-L464 HydrophobicContact CZ-CD1 4.33Å; F458-L464 HydrophobicContact CZ-CD2 4.31Å; F458-L479 HydrophobicContact CD1-CD1 4.22Å; F458-F480 WeakPolarHBondContact O-CE2 3.33Å; F458-F480 WeakPolarHBondContact O-CZ 3.44Å; F458-L509 HydrophobicContact CE1-CB 4.22Å; F458-F515 HydrophobicContact CD1-CZ 4.47Å; F458-F515 HydrophobicContact CE1-CE2 4.2Å; F458-F515 AromaticContact CE1-CZ 3.7Å; F458-F515 HydrophobicContact CE1-CZ 3.7Å; F458-F515 HydrophobicContact CE2-CZ 4.35Å; F458-F515 AromaticContact CZ-CE2 3.81Å; F458-F515 HydrophobicContact CZ-CE2 3.81Å; F458-F515 AromaticContact CZ-CZ 3.62Å; F458-F515 HydrophobicContact CZ-CZ 3.62Å; F458-M552 HydrophobicContact CZ-CB 4.44Å
459G98Very high95.8Very high8 Ų851.8 Ų51.88%0.08227%0.266CS..EExtended strand (participates in β ladder)trans-72149.416300000110.1E461 D462G459-E461 PolarHBondContact O-N 3.05Å; G459-D462 PolarHBondContact N-OD2 3.36Å; G459-D462 PolarHBondContact O-N 3.29Å; G459-D462 VanDerWaalsContact O-N 3.15Å
460I97.2Very high95.5Very high15 Ų1543.7 Ų43.78%0.07724%0.235CC..THydrogen-bonded Turntrans-54.2-36.7177.8-64-48.3000112.3T352 L356 G420 I422 G437 F439T352-I460 PolarHBondContact OG1-O 3.06Å; L356-I460 HydrophobicContact CD1-CB 4.3Å; L356-I460 HydrophobicContact CD1-CD1 3.57Å; L356-I460 HydrophobicContact CD1-CG1 3.61Å; L356-I460 HydrophobicContact CD1-CG2 3.64Å; G420-I460 WeakPolarHBondContact O-CG1 3.18Å; I422-I460 HydrophobicContact CB-CD1 4.45Å; I422-I460 HydrophobicContact CD1-CD1 4Å; I422-I460 HydrophobicContact CG1-CD1 4.05Å; G437-I460 PolarHBondContact O-N 3.44Å; G437-I460 VanDerWaalsContact O-N 3.13Å; F439-I460 HydrophobicContact CB-CD1 3.96Å
461E95.4Very high95.1Very high149 Ų14940 Ų4070%0.69622%0.223SC*.THydrogen-bonded Turntrans-97.65.6-175.9-59.4-58.3139.600113.8S353 G459 N463S353-E461 WeakPolarHBondContact CB-OE1 3.2Å; S353-E461 VanDerWaalsContact OG-CD 3.28Å; S353-E461 PolarHBondContact OG-OE1 3.34Å; S353-E461 PolarHBondContact OG-OE2 3.17Å; G459-E461 PolarHBondContact O-N 3.05Å; E461-N463 PolarHBondContact O-N 2.63Å
462D96.9Very high94.6Very high25 Ų2540.8 Ų40.813%0.13423%0.232CC..  trans-67.3131.8-179.2-77.2-17.2000111.2G459 L464 L479 F480 L509G459-D462 PolarHBondContact N-OD2 3.36Å; G459-D462 PolarHBondContact O-N 3.29Å; G459-D462 VanDerWaalsContact O-N 3.15Å; D462-L464 HydrophobicContact CB-CD2 4.1Å; D462-L464 PolarHBondContact O-N 3.31Å; D462-L479 VanDerWaalsContact OD2-CD1 3.25Å; D462-L479 WeakPolarHBondContact OD2-CD1 3.43Å; D462-F480 PolarHBondContact OD1-N 3.46Å; D462-F480 PolarHBondContact OD2-N 2.91Å; D462-F480 VanDerWaalsContact OD2-N 3.17Å; D462-L509 HydrophobicContact CB-CD1 4.17Å
463N95.1Very high94.2Very high90 Ų9045.7 Ų45.748%0.48125%0.249SC..  trans-82.586.8179-171.5-9.8000111.6E461 K465 Q466E461-N463 PolarHBondContact O-N 2.63Å; N463-K465 PolarHBondContact O-N 3.04Å; N463-K465 VanDerWaalsContact O-N 3.13Å; N463-K465 PolarHBondContact OD1-N 2.84Å; N463-Q466 HydrophobicContact CB-CB 4.09Å; N463-Q466 WeakPolarHBondContact O-CB 3.43Å; N463-Q466 PolarHBondContact O-N 3.43Å; N463-Q466 VanDerWaalsContact O-N 3.15Å; N463-Q466 PolarHBondContact OD1-N 3.05Å; N463-Q466 VanDerWaalsContact OD1-N 3.12Å
464L94.4Very high93.9Very high13 Ų1344.6 Ų44.67%0.06824%0.244CC..THydrogen-bonded Turntrans-66.7-14.2-179-51.8-171000114.3Q119 P122 F458 D462 L509 W510Q119-L464 WeakPolarHBondContact O-CD1 3.21Å; P122-L464 HydrophobicContact CG-CD1 3.5Å; P122-L464 VanDerWaalsContact CG-CD1 3.5Å; F458-L464 HydrophobicContact CB-CD2 4.24Å; F458-L464 HydrophobicContact CD1-CD1 4.44Å; F458-L464 HydrophobicContact CD1-CD2 3.39Å; F458-L464 HydrophobicContact CD2-CD1 3.9Å; F458-L464 HydrophobicContact CD2-CD2 4.3Å; F458-L464 HydrophobicContact CE1-CD2 3.72Å; F458-L464 HydrophobicContact CE2-CD1 4.02Å; F458-L464 HydrophobicContact CG-CD1 4.13Å; F458-L464 HydrophobicContact CG-CD2 3.72Å; F458-L464 HydrophobicContact CZ-CD1 4.33Å; F458-L464 HydrophobicContact CZ-CD2 4.31Å; D462-L464 HydrophobicContact CB-CD2 4.1Å; D462-L464 PolarHBondContact O-N 3.31Å; L464-L509 HydrophobicContact CD2-CB 3.92Å; L464-L509 HydrophobicContact CD2-CD1 3.86Å; L464-W510 HydrophobicContact CB-CE3 4.33Å; L464-W510 HydrophobicContact CD1-CE3 4.16Å; L464-W510 HydrophobicContact CD1-CZ3 4.31Å
465K90.8Very high93.6Very high117 Ų11749 Ų4951%0.50927%0.265SS..THydrogen-bonded Turntrans-90.4-19.3176.8-73.1-169.7171.6-172.40113.4Q119 N463 S467Q119-K465 HydrophobicContact CB-CG 4.24Å; N463-K465 PolarHBondContact O-N 3.04Å; N463-K465 VanDerWaalsContact O-N 3.13Å; N463-K465 PolarHBondContact OD1-N 2.84Å; K465-S467 PolarHBondContact O-N 3.15Å
466Q92.7Very high93.4Very high71 Ų7153.7 Ų53.733%0.33229%0.287SS..  trans-61.3127.1177.1-174.8-177.1-14.300108.6N463 E476 L477 S508N463-Q466 HydrophobicContact CB-CB 4.09Å; N463-Q466 WeakPolarHBondContact O-CB 3.43Å; N463-Q466 PolarHBondContact O-N 3.43Å; N463-Q466 VanDerWaalsContact O-N 3.15Å; N463-Q466 PolarHBondContact OD1-N 3.05Å; N463-Q466 VanDerWaalsContact OD1-N 3.12Å; Q466-E476 PolarHBondContact NE2-O 3.12Å; Q466-L477 HydrophobicContact CG-CD2 4.38Å; Q466-S508 WeakPolarHBondContact O-CB 3.35Å
467S92.6Very high93.3Very high62 Ų6253.7 Ų53.743%0.43429%0.287SS..EExtended strand (participates in β ladder)trans-129.4145.8177.965.70000111.1K465 S506 C507K465-S467 PolarHBondContact O-N 3.15Å; S467-S506 WeakPolarHBondContact CB-OG 3.25Å; S467-S506 PolarHBondContact OG-OG 2.67Å; S467-C507 CarbonylContact C-O 3.57Å; S467-C507 WeakPolarHBondContact CA-O 3.42Å
468V93.2Very high93.2Very high8 Ų857.4 Ų57.45%0.04830%0.303CS..EExtended strand (participates in β ladder)trans-108.8155.2169.2-61.50000110.5S470 E476 L477 C507V468-S470 VanDerWaalsContact C-N 3.25Å; V468-S470 WeakPolarHBondContact CG2-O 3.5Å; V468-S470 PolarHBondContact O-N 3.1Å; V468-E476 HydrophobicContact CG1-CB 3.82Å; V468-L477 HydrophobicContact CG1-CD2 4.15Å; V468-L477 HydrophobicContact CG1-CG 4.34Å; V468-L477 HydrophobicContact CG2-CD1 4.28Å; V468-L477 HydrophobicContact CG2-CG 4.33Å; V468-C507 HydrophobicContact CG2-CB 3.81Å; V468-C507 PolarHBondContact N-O 3.42Å; V468-C507 PolarHBondContact O-N 3.19Å
469A89.9Confident93.2Very high74 Ų7457.3 Ų57.361%0.61230%0.303SS*.SBendtrans-71.6-17.6-174.800000114.1S505A469-S505 WeakPolarHBondContact CA-O 3.45Å
470S87.7Confident93.1Very high36 Ų3658.8 Ų58.825%0.25231%0.307SS..SBendtrans-159150.6-173.4166.30000111.6V468 T472 Y473V468-S470 VanDerWaalsContact C-N 3.25Å; V468-S470 WeakPolarHBondContact CG2-O 3.5Å; V468-S470 PolarHBondContact O-N 3.1Å; S470-T472 WeakPolarHBondContact CB-OG1 3.49Å; S470-T472 PolarHBondContact O-N 2.89Å; S470-T472 PolarHBondContact OG-N 3.46Å; S470-T472 PolarHBondContact OG-OG1 3.28Å; S470-Y473 PolarHBondContact O-N 3.43Å; S470-Y473 VanDerWaalsContact O-N 3.13Å
471P85.8Confident93Very high57 Ų5760.9 Ų60.937%0.3733%0.332SS..G310 helixtrans-59.5-6.5170.8-22.834.2000115.2Y473 L474 F500P471-Y473 PolarHBondContact O-N 2.93Å; P471-L474 WeakPolarHBondContact O-CD1 3.26Å; P471-L474 WeakPolarHBondContact O-CG 3.42Å; P471-F500 HydrophobicContact CB-CE2 4.2Å; P471-F500 HydrophobicContact CG-CD2 4.09Å; P471-F500 HydrophobicContact CG-CE2 4.09Å
472T87.1Confident93Very high94 Ų9456.4 Ų56.458%0.57731%0.313SS*.G310 helixtrans-71.3-15.4172.249.50000113.5S470S470-T472 WeakPolarHBondContact CB-OG1 3.49Å; S470-T472 PolarHBondContact O-N 2.89Å; S470-T472 PolarHBondContact OG-N 3.46Å; S470-T472 PolarHBondContact OG-OG1 3.28Å
473Y90.7Very high93Very high113 Ų11356.8 Ų56.844%0.44332%0.315SS..G310 helixtrans-112.531-176.3-56.7-73.7000112.1S470 P471 E475 E476S470-Y473 PolarHBondContact O-N 3.43Å; S470-Y473 VanDerWaalsContact O-N 3.13Å; P471-Y473 PolarHBondContact O-N 2.93Å; Y473-E475 PolarHBondContact O-N 3.41Å; Y473-E476 PolarHBondContact O-N 3.02Å; Y473-E476 VanDerWaalsContact O-N 3.13Å
474L90.8Very high93Very high1 Ų152.5 Ų52.51%0.00529%0.292CS..G310 helixtrans-59.4-27.6-176.2-75.5167.5000113.2P471 E476 L477 L484 A485 L488 N495 L498 F500P471-L474 WeakPolarHBondContact O-CD1 3.26Å; P471-L474 WeakPolarHBondContact O-CG 3.42Å; L474-E476 PolarHBondContact O-N 3.36Å; L474-L477 HydrophobicContact CD2-CD1 4.43Å; L474-L477 PolarHBondContact O-N 3.46Å; L474-L477 VanDerWaalsContact O-N 3.16Å; L474-L484 HydrophobicContact CD2-CD2 3.89Å; L474-A485 HydrophobicContact CB-CB 4.35Å; L474-L488 HydrophobicContact CD1-CD1 4.28Å; L474-N495 HydrophobicContact CD1-CB 3.87Å; L474-L498 HydrophobicContact CD2-CD2 3.84Å; L474-F500 HydrophobicContact CD2-CE2 3.9Å; L474-F500 HydrophobicContact CD2-CZ 3.49Å; L474-F500 VanDerWaalsContact CD2-CZ 3.49Å
475E92.8Very high93.1Very high93 Ų9352.9 Ų52.944%0.43530%0.297SS..G310 helixtrans-64.2-19.5178.361.6-88.1-16000114Y473 K478 D483Y473-E475 PolarHBondContact O-N 3.41Å; E475-K478 PolarHBondContact O-NZ 3.49Å; E475-D483 HydrophobicContact CB-CB 4.44Å
476E94.4Very high93.3Very high98 Ų9852.4 Ų52.446%0.45830%0.295SS..G310 helixtrans-79.3-22.7176-60.8-177.5-159.600112.5Q466 V468 Y473 L474Q466-E476 PolarHBondContact NE2-O 3.12Å; V468-E476 HydrophobicContact CG1-CB 3.82Å; Y473-E476 PolarHBondContact O-N 3.02Å; Y473-E476 VanDerWaalsContact O-N 3.13Å; L474-E476 PolarHBondContact O-N 3.36Å
477L96.5Very high93.5Very high1 Ų149 Ų491%0.00528%0.279CS..SBendtrans-81.3127.3175.1-59.3180000109.7Q466 V468 L474 L484 F500Q466-L477 HydrophobicContact CG-CD2 4.38Å; V468-L477 HydrophobicContact CG1-CD2 4.15Å; V468-L477 HydrophobicContact CG1-CG 4.34Å; V468-L477 HydrophobicContact CG2-CD1 4.28Å; V468-L477 HydrophobicContact CG2-CG 4.33Å; L474-L477 HydrophobicContact CD2-CD1 4.43Å; L474-L477 PolarHBondContact O-N 3.46Å; L474-L477 VanDerWaalsContact O-N 3.16Å; L477-L484 HydrophobicContact CB-CB 4.04Å; L477-L484 HydrophobicContact CB-CD2 4.18Å; L477-L484 HydrophobicContact CD1-CD2 3.91Å; L477-L484 PolarHBondContact O-N 3.36Å; L477-F500 HydrophobicContact CD1-CE1 4.46Å
478K97.1Very high93.7Very high78 Ų7846.1 Ų46.134%0.33926%0.258SS..EExtended strand (participates in β ladder)trans-113.2123.7-176.3-54.6-57.7-175.9-165.10111.7E475 L482 D483 L509E475-K478 PolarHBondContact O-NZ 3.49Å; K478-L482 CarbonylContact C-O 3.58Å; K478-L482 VanDerWaalsContact CA-O 3.28Å; K478-L482 WeakPolarHBondContact CA-O 3.46Å; K478-D483 IonicContact NZ-OD1 3.61Å; K478-D483 PolarHBondContact NZ-OD1 2.64Å; K478-L509 VanDerWaalsContact O-CD1 3.3Å; K478-L509 WeakPolarHBondContact O-CD1 3.27Å
479L97.4Very high93.8Very high1 Ų149.2 Ų49.21%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-117.7117.3173.7174.563.8000108.2F457 F458 D462 G481 L482 L484 C487 W491 L509 I535F457-L479 HydrophobicContact CE2-CD2 4.28Å; F458-L479 HydrophobicContact CD1-CD1 4.22Å; D462-L479 VanDerWaalsContact OD2-CD1 3.25Å; D462-L479 WeakPolarHBondContact OD2-CD1 3.43Å; L479-G481 PolarHBondContact O-N 2.82Å; L479-L482 PolarHBondContact N-O 3.12Å; L479-L482 WeakPolarHBondContact O-CB 3.16Å; L479-L482 PolarHBondContact O-N 2.98Å; L479-L484 HydrophobicContact CD2-CD1 4.43Å; L479-C487 HydrophobicContact CD2-CB 4.48Å; L479-W491 HydrophobicContact CD2-CH2 3.58Å; L479-W491 HydrophobicContact CD2-CZ2 4.21Å; L479-L509 HydrophobicContact CB-CD2 4.19Å; L479-I535 HydrophobicContact CD2-CD1 4.26Å; L479-I535 HydrophobicContact CG-CD1 4.27Å
480F96.6Very high94.1Very high39 Ų3947.6 Ų47.617%0.17126%0.26CS..THydrogen-bonded Turntrans52.938-169.5-73-97.6000112.6A438 F457 F458 D462 L482 L532 I535 L536A438-F480 HydrophobicContact CB-CE1 4.31Å; A438-F480 HydrophobicContact CB-CZ 4.1Å; F457-F480 HydrophobicContact CD2-CE2 4.15Å; F458-F480 WeakPolarHBondContact O-CE2 3.33Å; F458-F480 WeakPolarHBondContact O-CZ 3.44Å; D462-F480 PolarHBondContact OD1-N 3.46Å; D462-F480 PolarHBondContact OD2-N 2.91Å; D462-F480 VanDerWaalsContact OD2-N 3.17Å; F480-L482 PolarHBondContact O-N 3.06Å; F480-L482 VanDerWaalsContact O-N 3.15Å; F480-L532 HydrophobicContact CD1-CD1 4.27Å; F480-L532 HydrophobicContact CD2-CD1 3.7Å; F480-L532 HydrophobicContact CE1-CD1 3.91Å; F480-L532 HydrophobicContact CE2-CD1 3.29Å; F480-L532 HydrophobicContact CE2-CD2 4.43Å; F480-L532 HydrophobicContact CE2-CG 4.48Å; F480-L532 HydrophobicContact CG-CD1 4.17Å; F480-L532 HydrophobicContact CZ-CD1 3.4Å; F480-L532 VanDerWaalsContact CZ-CD1 3.4Å; F480-L532 HydrophobicContact CZ-CD2 3.97Å; F480-L532 HydrophobicContact CZ-CG 4.34Å; F480-I535 HydrophobicContact CD2-CD1 4.22Å; F480-L536 HydrophobicContact CB-CD2 4.11Å; F480-L536 HydrophobicContact CD1-CD2 4.03Å; F480-L536 HydrophobicContact CG-CD2 4.23Å
481G95.1Very high94.5Very high59 Ų5945.9 Ų45.961%0.60825%0.249SC*.THydrogen-bonded Turntrans72-3-177.400000115.6L479L479-G481 PolarHBondContact O-N 2.82Å
482L96.4Very high94.9Very high54 Ų5446.1 Ų46.128%0.28326%0.261SS..EExtended strand (participates in β ladder)trans-92.5143.6176.7-65.1171.6000111.3K478 L479 F480 L484 I535K478-L482 CarbonylContact C-O 3.58Å; K478-L482 VanDerWaalsContact CA-O 3.28Å; K478-L482 WeakPolarHBondContact CA-O 3.46Å; L479-L482 PolarHBondContact N-O 3.12Å; L479-L482 WeakPolarHBondContact O-CB 3.16Å; L479-L482 PolarHBondContact O-N 2.98Å; F480-L482 PolarHBondContact O-N 3.06Å; F480-L482 VanDerWaalsContact O-N 3.15Å; L482-L484 PolarHBondContact O-N 3.39Å; L482-I535 HydrophobicContact CD1-CB 4.1Å; L482-I535 WeakPolarHBondContact CD1-O 3.17Å
483D95.4Very high95.2Very high34 Ų3443.3 Ų43.318%0.18224%0.242CC..EExtended strand (participates in β ladder)trans-55.9130.8171.4-47.1-20.3000109.6E475 K478 A485 K486 C487E475-D483 HydrophobicContact CB-CB 4.44Å; K478-D483 IonicContact NZ-OD1 3.61Å; K478-D483 PolarHBondContact NZ-OD1 2.64Å; D483-A485 PolarHBondContact O-N 3.38Å; D483-A485 VanDerWaalsContact O-N 3.14Å; D483-K486 HydrophobicContact CB-CB 4.41Å; D483-K486 HydrophobicContact CB-CD 4.07Å; D483-K486 HydrophobicContact CB-CG 4.15Å; D483-K486 WeakPolarHBondContact O-CA 3.43Å; D483-K486 WeakPolarHBondContact O-CB 3.47Å; D483-K486 PolarHBondContact O-N 3.03Å; D483-K486 WeakPolarHBondContact OD2-CD 3.25Å; D483-K486 WeakPolarHBondContact OD2-CE 3.34Å; D483-K486 IonicContact OD2-NZ 3.58Å; D483-K486 PolarHBondContact OD2-NZ 3.44Å; D483-C487 PolarHBondContact O-N 2.98Å; D483-C487 VanDerWaalsContact O-N 3.15Å
484L96.6Very high95.2Very high0 Ų043.5 Ų43.50%025%0.247CC..Hα-helixtrans-57.8-35.4-177.2-177.758.9000112L474 L477 L479 L482 K486 C487 L488 L498 L509 L514L474-L484 HydrophobicContact CD2-CD2 3.89Å; L477-L484 HydrophobicContact CB-CB 4.04Å; L477-L484 HydrophobicContact CB-CD2 4.18Å; L477-L484 HydrophobicContact CD1-CD2 3.91Å; L477-L484 PolarHBondContact O-N 3.36Å; L479-L484 HydrophobicContact CD2-CD1 4.43Å; L482-L484 PolarHBondContact O-N 3.39Å; L484-K486 VanDerWaalsContact C-N 3.28Å; L484-K486 PolarHBondContact O-N 3.03Å; L484-C487 HydrophobicContact CD1-CB 4.37Å; L484-C487 WeakPolarHBondContact O-CB 3.48Å; L484-C487 PolarHBondContact O-N 2.96Å; L484-C487 VanDerWaalsContact O-N 3.11Å; L484-L488 WeakPolarHBondContact O-CG 3.18Å; L484-L488 PolarHBondContact O-N 3.44Å; L484-L498 HydrophobicContact CD2-CD2 3.97Å; L484-L498 HydrophobicContact CG-CD2 4.5Å; L484-L509 HydrophobicContact CD1-CD2 4.25Å; L484-L509 HydrophobicContact CD2-CD2 4.15Å; L484-L514 HydrophobicContact CD1-CD1 4.13Å; L484-L514 HydrophobicContact CD1-CD2 4.49Å
485A95.3Very high95.1Very high20 Ų2046.1 Ų46.117%0.16526%0.261CS..Hα-helixtrans-58.7-35.517300000113.4L474 D483 S489L474-A485 HydrophobicContact CB-CB 4.35Å; D483-A485 PolarHBondContact O-N 3.38Å; D483-A485 VanDerWaalsContact O-N 3.14Å; A485-S489 PolarHBondContact O-N 3.11Å
486K95.8Very high94.7Very high108 Ų10849.4 Ų49.447%0.4728%0.276SS..Hα-helixtrans-71.2-39.3173.6-70.1172.8177.5152.20111.1D483 L484 L488 S489 H490D483-K486 HydrophobicContact CB-CB 4.41Å; D483-K486 HydrophobicContact CB-CD 4.07Å; D483-K486 HydrophobicContact CB-CG 4.15Å; D483-K486 WeakPolarHBondContact O-CA 3.43Å; D483-K486 WeakPolarHBondContact O-CB 3.47Å; D483-K486 PolarHBondContact O-N 3.03Å; D483-K486 WeakPolarHBondContact OD2-CD 3.25Å; D483-K486 WeakPolarHBondContact OD2-CE 3.34Å; D483-K486 IonicContact OD2-NZ 3.58Å; D483-K486 PolarHBondContact OD2-NZ 3.44Å; L484-K486 VanDerWaalsContact C-N 3.28Å; L484-K486 PolarHBondContact O-N 3.03Å; K486-L488 VanDerWaalsContact C-N 3.3Å; K486-L488 PolarHBondContact O-N 3.47Å; K486-S489 PolarHBondContact O-N 3.13Å; K486-S489 PolarHBondContact O-OG 2.82Å; K486-H490 PolarHBondContact O-CD2 2.81Å; K486-H490 PolarHBondContact O-N 2.88Å
487C97.2Very high94.3Very high0 Ų054 Ų540%029%0.289CS..Hα-helixtrans-59.6-43.1174.7-61.40000111.5L479 D483 L484 S489 H490 W491 I535L479-C487 HydrophobicContact CD2-CB 4.48Å; D483-C487 PolarHBondContact O-N 2.98Å; D483-C487 VanDerWaalsContact O-N 3.15Å; L484-C487 HydrophobicContact CD1-CB 4.37Å; L484-C487 WeakPolarHBondContact O-CB 3.48Å; L484-C487 PolarHBondContact O-N 2.96Å; L484-C487 VanDerWaalsContact O-N 3.11Å; C487-S489 VanDerWaalsContact C-N 3.32Å; C487-S489 PolarHBondContact O-N 3.32Å; C487-H490 PolarHBondContact O-N 3.29Å; C487-W491 HydrophobicContact CB-CE3 4.46Å; C487-W491 HydrophobicContact CB-CH2 3.79Å; C487-W491 HydrophobicContact CB-CZ2 4.1Å; C487-W491 HydrophobicContact CB-CZ3 3.96Å; C487-W491 VanDerWaalsContact O-CD2 3.23Å; C487-W491 PolarHBondContact O-N 2.84Å; C487-I535 HydrophobicContact CB-CG2 3.94Å
488L96.1Very high94.1Very high0 Ų054.4 Ų54.40%029%0.292CS..Hα-helixtrans-59.8-39.5176.3-66.3-179.9000112.6L474 L484 K486 H490 W491 G492 M493 N495 L498 L514L474-L488 HydrophobicContact CD1-CD1 4.28Å; L484-L488 WeakPolarHBondContact O-CG 3.18Å; L484-L488 PolarHBondContact O-N 3.44Å; K486-L488 VanDerWaalsContact C-N 3.3Å; K486-L488 PolarHBondContact O-N 3.47Å; L488-H490 PolarHBondContact O-N 3.48Å; L488-W491 HydrophobicContact CD2-CE3 3.97Å; L488-W491 HydrophobicContact CD2-CZ3 4.16Å; L488-W491 CarbonylContact O-C 3.56Å; L488-W491 WeakPolarHBondContact O-CA 3.46Å; L488-W491 PolarHBondContact O-N 3.25Å; L488-G492 PolarHBondContact O-N 3.48Å; L488-M493 HydrophobicContact CB-CB 4.17Å; L488-M493 HydrophobicContact CD2-CB 4.07Å; L488-M493 HydrophobicContact CD2-CE 4.05Å; L488-M493 HydrophobicContact CD2-SD 4.13Å; L488-M493 PolarHBondContact O-N 3.18Å; L488-N495 WeakPolarHBondContact CD1-OD1 3.49Å; L488-L498 HydrophobicContact CD1-CB 4.05Å; L488-L498 HydrophobicContact CD1-CD2 3.96Å; L488-L498 HydrophobicContact CD2-CD1 4.37Å; L488-L498 HydrophobicContact CD2-CD2 4.34Å; L488-L514 HydrophobicContact CD2-CD2 4.2Å
489S95.5Very high93.9Very high74 Ų7456.4 Ų56.452%0.51730%0.297SS..Hα-helixtrans-65.5-38.5178.478.10000112.4A485 K486 C487 W491 G492A485-S489 PolarHBondContact O-N 3.11Å; K486-S489 PolarHBondContact O-N 3.13Å; K486-S489 PolarHBondContact O-OG 2.82Å; C487-S489 VanDerWaalsContact C-N 3.32Å; C487-S489 PolarHBondContact O-N 3.32Å; S489-W491 PolarHBondContact O-N 2.82Å; S489-G492 PolarHBondContact O-N 3.38Å
490H96.8Very high93.8Very high40 Ų4057.7 Ų57.719%0.18530%0.303CS..Hα-helixtrans-63.7-25.3171.4-72.9-67000113K486 C487 L488 I535 G538 S539 T540 S541K486-H490 PolarHBondContact O-CD2 2.81Å; K486-H490 PolarHBondContact O-N 2.88Å; C487-H490 PolarHBondContact O-N 3.29Å; L488-H490 PolarHBondContact O-N 3.48Å; H490-I535 HydrophobicContact CB-CG2 3.94Å; H490-G538 VanDerWaalsContact CE1-C 3.5Å; H490-G538 VanDerWaalsContact CE1-CA 3.45Å; H490-G538 WeakPolarHBondContact CE1-CA 3.17Å; H490-G538 PolarHBondContact CE1-O 3.38Å; H490-S539 PolarHBondContact ND1-O 3.42Å; H490-T540 CarbonylContact O-C 3.53Å; H490-T540 VanDerWaalsContact O-CA 3.25Å; H490-T540 WeakPolarHBondContact O-CA 3.42Å; H490-T540 WeakPolarHBondContact O-CG2 3.26Å; H490-S541 PolarHBondContact O-N 3.11Å
491W96.3Very high93.6Very high0 Ų056 Ų560%030%0.296CS..THydrogen-bonded Turntrans-94.15.3174.7-55.9-31.1000113.5F457 L479 C487 L488 S489 M493 L514 M531 I535 P542 P543F457-W491 HydrophobicContact CE2-CZ2 4.12Å; F457-W491 HydrophobicContact CZ-CH2 4.19Å; F457-W491 AromaticContact CZ-CZ2 3.74Å; F457-W491 HydrophobicContact CZ-CZ2 3.74Å; L479-W491 HydrophobicContact CD2-CH2 3.58Å; L479-W491 HydrophobicContact CD2-CZ2 4.21Å; C487-W491 HydrophobicContact CB-CE3 4.46Å; C487-W491 HydrophobicContact CB-CH2 3.79Å; C487-W491 HydrophobicContact CB-CZ2 4.1Å; C487-W491 HydrophobicContact CB-CZ3 3.96Å; C487-W491 VanDerWaalsContact O-CD2 3.23Å; C487-W491 PolarHBondContact O-N 2.84Å; L488-W491 HydrophobicContact CD2-CE3 3.97Å; L488-W491 HydrophobicContact CD2-CZ3 4.16Å; L488-W491 CarbonylContact O-C 3.56Å; L488-W491 WeakPolarHBondContact O-CA 3.46Å; L488-W491 PolarHBondContact O-N 3.25Å; S489-W491 PolarHBondContact O-N 2.82Å; W491-M493 HydrophobicContact CB-CG 4.17Å; W491-M493 HydrophobicContact CB-SD 4.12Å; W491-M493 HydrophobicContact CE3-SD 4.34Å; W491-M493 PolarHBondContact O-N 3.12Å; W491-L514 HydrophobicContact CZ3-CD1 4.43Å; W491-L514 HydrophobicContact CZ3-CD2 3.94Å; W491-M531 HydrophobicContact CD2-CE 3.71Å; W491-M531 HydrophobicContact CE3-CE 4.04Å; W491-M531 HydrophobicContact CG-CE 3.99Å; W491-M531 HydrophobicContact CZ2-CE 4.32Å; W491-M531 PolarHBondContact NE1-O 2.9Å; W491-I535 HydrophobicContact CZ2-CD1 4.32Å; W491-I535 HydrophobicContact CZ2-CG2 3.71Å; W491-P542 VanDerWaalsContact O-CA 3.25Å; W491-P542 WeakPolarHBondContact O-CA 3.4Å; W491-P542 WeakPolarHBondContact O-CB 3.41Å; W491-P543 WeakPolarHBondContact O-CD 3.46Å
492G94.1Very high93Very high62 Ų6256 Ų5664%0.63930%0.295SS*.THydrogen-bonded Turntrans61.630.6-177.800000113.3L488 S489L488-G492 PolarHBondContact O-N 3.48Å; S489-G492 PolarHBondContact O-N 3.38Å
493M92.6Very high92Very high35 Ų3558.3 Ų58.317%0.17231%0.308CS..  trans-105.9136.5-180-66.9176.264.200110.7L488 W491 L498 P543 L549L488-M493 HydrophobicContact CB-CB 4.17Å; L488-M493 HydrophobicContact CD2-CB 4.07Å; L488-M493 HydrophobicContact CD2-CE 4.05Å; L488-M493 HydrophobicContact CD2-SD 4.13Å; L488-M493 PolarHBondContact O-N 3.18Å; W491-M493 HydrophobicContact CB-CG 4.17Å; W491-M493 HydrophobicContact CB-SD 4.12Å; W491-M493 HydrophobicContact CE3-SD 4.34Å; W491-M493 PolarHBondContact O-N 3.12Å; M493-L498 HydrophobicContact CE-CD1 4.5Å; M493-P543 HydrophobicContact SD-CG 4.27Å; M493-L549 HydrophobicContact CE-CD1 3.54Å; M493-L549 HydrophobicContact SD-CD1 4.04Å
494E90.3Very high90.9Very high117 Ų11760.8 Ų60.855%0.54733%0.333SS..  trans-79140.3171.9-67.8171.3176.700110.3E496 R497E494-E496 VanDerWaalsContact C-N 3.27Å; E494-E496 PolarHBondContact O-N 3.04Å; E494-R497 HydrophobicContact CB-CB 4.37Å; E494-R497 HydrophobicContact CB-CG 4.03Å; E494-R497 PolarHBondContact O-N 3.15Å; E494-R497 WeakPolarHBondContact OE2-CD 3.3Å
495N88.3Confident90Very high56 Ų5664.2 Ų64.230%0.29936%0.357SS..G310 helixtrans-57.4-41.7-178.3-70.9-5.9000111.8L474 L488 R497 L498L474-N495 HydrophobicContact CD1-CB 3.87Å; L488-N495 WeakPolarHBondContact CD1-OD1 3.49Å; N495-R497 PolarHBondContact O-N 3.42Å; N495-L498 WeakPolarHBondContact O-CB 3.47Å; N495-L498 PolarHBondContact O-N 3Å
496E84.8Confident89.6Confident161 Ų16165.3 Ų65.375%0.75236%0.363SS*.G310 helixtrans-67.5-18.6-178-58.973.6-160.900112.6E494E494-E496 VanDerWaalsContact C-N 3.27Å; E494-E496 PolarHBondContact O-N 3.04Å
497R85.8Confident89.5Confident195 Ų19560.2 Ų60.274%0.73634%0.342SS*.G310 helixtrans-94.4-9179.8-61.9-173.569.7-1701.4112.8E494 N495 R499E494-R497 HydrophobicContact CB-CB 4.37Å; E494-R497 HydrophobicContact CB-CG 4.03Å; E494-R497 PolarHBondContact O-N 3.15Å; E494-R497 WeakPolarHBondContact OE2-CD 3.3Å; N495-R497 PolarHBondContact O-N 3.42Å; R497-R499 PolarHBondContact O-N 3.44Å
498L92.3Very high89.4Confident10 Ų1060.8 Ų60.85%0.05235%0.345CS..  trans-67.6115.9174.1178.561.2000109.6L474 L484 L488 M493 N495 F500 A512 L514L474-L498 HydrophobicContact CD2-CD2 3.84Å; L484-L498 HydrophobicContact CD2-CD2 3.97Å; L484-L498 HydrophobicContact CG-CD2 4.5Å; L488-L498 HydrophobicContact CD1-CB 4.05Å; L488-L498 HydrophobicContact CD1-CD2 3.96Å; L488-L498 HydrophobicContact CD2-CD1 4.37Å; L488-L498 HydrophobicContact CD2-CD2 4.34Å; M493-L498 HydrophobicContact CE-CD1 4.5Å; N495-L498 WeakPolarHBondContact O-CB 3.47Å; N495-L498 PolarHBondContact O-N 3Å; L498-F500 HydrophobicContact CD2-CE1 4.41Å; L498-F500 HydrophobicContact CD2-CE2 3.77Å; L498-F500 HydrophobicContact CD2-CZ 3.55Å; L498-F500 HydrophobicContact CG-CE2 3.9Å; L498-F500 HydrophobicContact CG-CZ 4.11Å; L498-A512 HydrophobicContact CD2-CB 4.43Å; L498-L514 HydrophobicContact CD1-CD2 3.52Å; L498-L514 HydrophobicContact CD2-CD2 4.42Å
499R93.8Very high89.4Confident119 Ų11960.9 Ų60.945%0.44935%0.346SS..  trans-84.8140.5174.4-176.6178.965.993.1-1.1110.4R497 C513 L549 D554R497-R499 PolarHBondContact O-N 3.44Å; R499-C513 HydrophobicContact CB-CB 4.17Å; R499-C513 PolarHBondContact NH2-SG 2.78Å; R499-C513 VanDerWaalsContact O-CB 3.26Å; R499-C513 WeakPolarHBondContact O-CB 3.39Å; R499-C513 PolarHBondContact O-N 2.89Å; R499-C513 PolarHBondContact O-SG 2.89Å; R499-L549 PolarHBondContact NH2-O 3.34Å; R499-D554 IonicContact CZ-OD2 3.51Å; R499-D554 VanDerWaalsContact CZ-OD2 3.29Å; R499-D554 IonicContact NH1-OD1 3.57Å; R499-D554 IonicContact NH1-OD2 3.37Å; R499-D554 PolarHBondContact NH1-OD2 2.84Å; R499-D554 IonicContact NH2-OD2 3.3Å; R499-D554 PolarHBondContact NH2-OD2 3.22Å
500F94.4Very high89.4Confident29 Ų2957.8 Ų57.813%0.12732%0.323CS..BIsolated β-bridgetrans-108.1136.9164.8-67.6-90.5000110.1P471 L474 L477 L498 C507 S508 N511 A512P471-F500 HydrophobicContact CB-CE2 4.2Å; P471-F500 HydrophobicContact CG-CD2 4.09Å; P471-F500 HydrophobicContact CG-CE2 4.09Å; L474-F500 HydrophobicContact CD2-CE2 3.9Å; L474-F500 HydrophobicContact CD2-CZ 3.49Å; L474-F500 VanDerWaalsContact CD2-CZ 3.49Å; L477-F500 HydrophobicContact CD1-CE1 4.46Å; L498-F500 HydrophobicContact CD2-CE1 4.41Å; L498-F500 HydrophobicContact CD2-CE2 3.77Å; L498-F500 HydrophobicContact CD2-CZ 3.55Å; L498-F500 HydrophobicContact CG-CE2 3.9Å; L498-F500 HydrophobicContact CG-CZ 4.11Å; F500-C507 HydrophobicContact CD1-CB 3.75Å; F500-C507 HydrophobicContact CD2-CB 4.15Å; F500-C507 HydrophobicContact CE1-CB 3.64Å; F500-C507 HydrophobicContact CE2-CB 4.06Å; F500-C507 HydrophobicContact CG-CB 4Å; F500-C507 HydrophobicContact CZ-CB 3.81Å; F500-S508 WeakPolarHBondContact CE1-O 3.17Å; F500-N511 CarbonylContact C-O 3.32Å; F500-N511 VanDerWaalsContact CA-O 3.27Å; F500-N511 WeakPolarHBondContact CA-O 3.39Å; F500-N511 WeakPolarHBondContact CD1-OD1 3.36Å; F500-A512 HydrophobicContact CD1-CB 4.11Å; F500-A512 HydrophobicContact CE1-CB 3.66Å; F500-A512 HydrophobicContact CZ-CB 4.33Å
501S92.4Very high89.4Confident4 Ų456.2 Ų56.23%0.02832%0.316CS..  trans-82.6155.1172.659.40000111.2N511 S551 Q553 D554S501-N511 PolarHBondContact N-O 3.46Å; S501-N511 WeakPolarHBondContact O-CB 3.32Å; S501-N511 PolarHBondContact O-ND2 3.1Å; S501-N511 WeakPolarHBondContact OG-CA 3.32Å; S501-N511 VanDerWaalsContact OG-CB 3.31Å; S501-N511 WeakPolarHBondContact OG-CB 3.05Å; S501-N511 PolarHBondContact OG-O 2.94Å; S501-S551 WeakPolarHBondContact CB-OG 3.35Å; S501-S551 PolarHBondContact OG-OG 2.6Å; S501-Q553 PolarHBondContact O-OE1 3.35Å; S501-Q553 VanDerWaalsContact O-OE1 3.1Å; S501-Q553 WeakPolarHBondContact OG-CB 3.15Å; S501-Q553 PolarHBondContact OG-OE1 2.85Å; S501-D554 VanDerWaalsContact CB-OD1 3.24Å; S501-D554 WeakPolarHBondContact CB-OD1 3.48Å
502G84.1Confident89.4Confident57 Ų5756.2 Ų56.259%0.58832%0.316SS*.SBendtrans80-138.4176.300000113.7
503D74.8Confident89.5Confident103 Ų10353.5 Ų53.555%0.55129%0.287SS*.  trans-73.7124.9-176-171.9-17.5000111.1S505 S506D503-S505 PolarHBondContact O-N 3.06Å; D503-S505 WeakPolarHBondContact OD1-CB 3.39Å; D503-S505 PolarHBondContact OD1-N 3.31Å; D503-S505 PolarHBondContact OD1-OG 3.25Å; D503-S505 PolarHBondContact OD2-OG 3.16Å; D503-S506 PolarHBondContact O-N 2.94Å
504A72.8Confident89.7Confident86 Ų8651.8 Ų51.871%0.71128%0.278SS*.THydrogen-bonded Turntrans-66.1-15.9179.900000113.6S506A504-S506 VanDerWaalsContact C-N 3.34Å
505S76.8Confident90.1Very high73 Ų7346.2 Ų46.251%0.5125%0.252SS..THydrogen-bonded Turntrans-86.1-0.917969.20000114.4A469 D503A469-S505 WeakPolarHBondContact CA-O 3.45Å; D503-S505 PolarHBondContact O-N 3.06Å; D503-S505 WeakPolarHBondContact OD1-CB 3.39Å; D503-S505 PolarHBondContact OD1-N 3.31Å; D503-S505 PolarHBondContact OD1-OG 3.25Å; D503-S505 PolarHBondContact OD2-OG 3.16Å
506S87.5Confident90.6Very high42 Ų4243.6 Ų43.629%0.29424%0.238SC..  trans-137.7105.8178-175.10000110.6S467 D503 A504 N511S467-S506 WeakPolarHBondContact CB-OG 3.25Å; S467-S506 PolarHBondContact OG-OG 2.67Å; D503-S506 PolarHBondContact O-N 2.94Å; A504-S506 VanDerWaalsContact C-N 3.34Å; S506-N511 PolarHBondContact O-ND2 3.11Å
507C93.1Very high91.2Very high2 Ų236.7 Ų36.71%0.01421%0.207CC..EExtended strand (participates in β ladder)trans-107.1123178.6-62.90000109.9S467 V468 F500S467-C507 CarbonylContact C-O 3.57Å; S467-C507 WeakPolarHBondContact CA-O 3.42Å; V468-C507 HydrophobicContact CG2-CB 3.81Å; V468-C507 PolarHBondContact N-O 3.42Å; V468-C507 PolarHBondContact O-N 3.19Å; F500-C507 HydrophobicContact CD1-CB 3.75Å; F500-C507 HydrophobicContact CD2-CB 4.15Å; F500-C507 HydrophobicContact CE1-CB 3.64Å; F500-C507 HydrophobicContact CE2-CB 4.06Å; F500-C507 HydrophobicContact CG-CB 4Å; F500-C507 HydrophobicContact CZ-CB 3.81Å
508S95.5Very high91.8Very high11 Ų1128.3 Ų28.38%0.07718%0.178CC..EExtended strand (participates in β ladder)trans-144.6168.2-174.867.20000110.7Q466 F500 W510 N511 A512Q466-S508 WeakPolarHBondContact O-CB 3.35Å; F500-S508 WeakPolarHBondContact CE1-O 3.17Å; S508-W510 PolarHBondContact O-N 3.13Å; S508-W510 WeakPolarHBondContact OG-CB 3.22Å; S508-W510 PolarHBondContact OG-N 2.72Å; S508-N511 WeakPolarHBondContact CA-OD1 3.37Å; S508-N511 PolarHBondContact N-OD1 2.83Å; S508-N511 PolarHBondContact O-N 2.88Å; S508-N511 PolarHBondContact O-OD1 2.9Å; S508-N511 PolarHBondContact OG-N 2.91Å; S508-N511 PolarHBondContact OG-OD1 3.48Å; S508-A512 WeakPolarHBondContact O-CB 3.29Å; S508-A512 PolarHBondContact O-N 3.43Å
509L96.4Very high92Very high2 Ų232.3 Ų32.31%0.0121%0.207CC..THydrogen-bonded Turntrans-60.5-30171.3-63.4176000112.6F458 D462 L464 K478 L479 L484 N511F458-L509 HydrophobicContact CE1-CB 4.22Å; D462-L509 HydrophobicContact CB-CD1 4.17Å; L464-L509 HydrophobicContact CD2-CB 3.92Å; L464-L509 HydrophobicContact CD2-CD1 3.86Å; K478-L509 VanDerWaalsContact O-CD1 3.3Å; K478-L509 WeakPolarHBondContact O-CD1 3.27Å; L479-L509 HydrophobicContact CB-CD2 4.19Å; L484-L509 HydrophobicContact CD1-CD2 4.25Å; L484-L509 HydrophobicContact CD2-CD2 4.15Å; L509-N511 VanDerWaalsContact C-N 3.32Å; L509-N511 PolarHBondContact O-N 3.17Å
510W95.8Very high92.1Very high10 Ų1031.6 Ų31.64%0.03821%0.209CC..THydrogen-bonded Turntrans-64.6-36.5-179.2-173.5-99.9000113.2Q119 P122 S125 L464 S508 M552 Q553 L556Q119-W510 HydrophobicContact CB-CE3 4.26Å; Q119-W510 HydrophobicContact CB-CH2 4.38Å; Q119-W510 HydrophobicContact CB-CZ3 4.16Å; Q119-W510 HydrophobicContact CG-CD2 3.83Å; Q119-W510 HydrophobicContact CG-CE3 3.96Å; Q119-W510 HydrophobicContact CG-CG 4.45Å; Q119-W510 HydrophobicContact CG-CH2 3.9Å; Q119-W510 HydrophobicContact CG-CZ2 3.73Å; Q119-W510 HydrophobicContact CG-CZ3 4.01Å; P122-W510 HydrophobicContact CB-CZ3 4.19Å; P122-W510 HydrophobicContact CG-CZ3 4.27Å; S125-W510 WeakPolarHBondContact OG-CH2 3.38Å; L464-W510 HydrophobicContact CB-CE3 4.33Å; L464-W510 HydrophobicContact CD1-CE3 4.16Å; L464-W510 HydrophobicContact CD1-CZ3 4.31Å; S508-W510 PolarHBondContact O-N 3.13Å; S508-W510 WeakPolarHBondContact OG-CB 3.22Å; S508-W510 PolarHBondContact OG-N 2.72Å; W510-M552 HydrophobicContact CD2-CB 4.1Å; W510-M552 HydrophobicContact CD2-CG 3.97Å; W510-M552 HydrophobicContact CE3-CB 4.07Å; W510-M552 HydrophobicContact CE3-CG 3.71Å; W510-M552 HydrophobicContact CH2-CE 3.97Å; W510-M552 HydrophobicContact CH2-CG 3.5Å; W510-M552 VanDerWaalsContact CH2-CG 3.5Å; W510-M552 HydrophobicContact CZ2-CG 3.79Å; W510-M552 HydrophobicContact CZ3-CB 4.32Å; W510-M552 HydrophobicContact CZ3-CE 4.42Å; W510-M552 HydrophobicContact CZ3-CG 3.46Å; W510-M552 VanDerWaalsContact CZ3-CG 3.46Å; W510-M552 WeakPolarHBondContact O-CB 3.44Å; W510-M552 PolarHBondContact O-N 2.78Å; W510-Q553 PolarHBondContact O-N 2.79Å; W510-Q553 VanDerWaalsContact O-N 3.11Å; W510-L556 HydrophobicContact CH2-CD1 3.98Å; W510-L556 HydrophobicContact CZ2-CD1 3.34Å
511N95.9Very high92.2Very high7 Ų731.6 Ų31.64%0.03721%0.209CC..THydrogen-bonded Turntrans-109.6-0.5-177.667.8-16.4000114.2F500 S501 S506 S508 L509 C513 S551 Q553F500-N511 CarbonylContact C-O 3.32Å; F500-N511 VanDerWaalsContact CA-O 3.27Å; F500-N511 WeakPolarHBondContact CA-O 3.39Å; F500-N511 WeakPolarHBondContact CD1-OD1 3.36Å; S501-N511 PolarHBondContact N-O 3.46Å; S501-N511 WeakPolarHBondContact O-CB 3.32Å; S501-N511 PolarHBondContact O-ND2 3.1Å; S501-N511 WeakPolarHBondContact OG-CA 3.32Å; S501-N511 VanDerWaalsContact OG-CB 3.31Å; S501-N511 WeakPolarHBondContact OG-CB 3.05Å; S501-N511 PolarHBondContact OG-O 2.94Å; S506-N511 PolarHBondContact O-ND2 3.11Å; S508-N511 WeakPolarHBondContact CA-OD1 3.37Å; S508-N511 PolarHBondContact N-OD1 2.83Å; S508-N511 PolarHBondContact O-N 2.88Å; S508-N511 PolarHBondContact O-OD1 2.9Å; S508-N511 PolarHBondContact OG-N 2.91Å; S508-N511 PolarHBondContact OG-OD1 3.48Å; L509-N511 VanDerWaalsContact C-N 3.32Å; L509-N511 PolarHBondContact O-N 3.17Å; N511-C513 PolarHBondContact O-N 3.25Å; N511-S551 WeakPolarHBondContact O-CB 3.28Å; N511-Q553 HydrophobicContact CB-CB 4.41Å
512A96.4Very high92.4Very high0 Ų034.1 Ų34.10%022%0.221CC..BIsolated β-bridgetrans-65.3126.2169.500000111.1L498 F500 S508 L514 S551L498-A512 HydrophobicContact CD2-CB 4.43Å; F500-A512 HydrophobicContact CD1-CB 4.11Å; F500-A512 HydrophobicContact CE1-CB 3.66Å; F500-A512 HydrophobicContact CZ-CB 4.33Å; S508-A512 WeakPolarHBondContact O-CB 3.29Å; S508-A512 PolarHBondContact O-N 3.43Å; A512-L514 HydrophobicContact CB-CD1 3.94Å; A512-L514 HydrophobicContact CB-CD2 4.13Å; A512-L514 HydrophobicContact CB-CG 3.75Å; A512-L514 PolarHBondContact O-N 2.92Å; A512-S551 WeakPolarHBondContact O-CA 3.3Å; A512-S551 WeakPolarHBondContact O-CB 3.49Å
513C96.9Very high93.1Very high4 Ų433.9 Ų33.93%0.02721%0.21CC..  trans-83.481.3-178.8-59.60000110.7R499 N511 L549 D554R499-C513 HydrophobicContact CB-CB 4.17Å; R499-C513 PolarHBondContact NH2-SG 2.78Å; R499-C513 VanDerWaalsContact O-CB 3.26Å; R499-C513 WeakPolarHBondContact O-CB 3.39Å; R499-C513 PolarHBondContact O-N 2.89Å; R499-C513 PolarHBondContact O-SG 2.89Å; N511-C513 PolarHBondContact O-N 3.25Å; C513-L549 HydrophobicContact CB-CB 4.38Å; C513-L549 VanDerWaalsContact O-CB 3.29Å; C513-L549 WeakPolarHBondContact O-CB 3.39Å; C513-L549 WeakPolarHBondContact O-CD1 3.46Å; C513-D554 PolarHBondContact SG-OD2 3.07Å
514L96.8Very high94.2Very high0 Ų029 Ų290%018%0.184CC..  trans-105.7-26.4-171.8-58-179.5000113.5L484 L488 W491 L498 A512 M531 M550L484-L514 HydrophobicContact CD1-CD1 4.13Å; L484-L514 HydrophobicContact CD1-CD2 4.49Å; L488-L514 HydrophobicContact CD2-CD2 4.2Å; W491-L514 HydrophobicContact CZ3-CD1 4.43Å; W491-L514 HydrophobicContact CZ3-CD2 3.94Å; L498-L514 HydrophobicContact CD1-CD2 3.52Å; L498-L514 HydrophobicContact CD2-CD2 4.42Å; A512-L514 HydrophobicContact CB-CD1 3.94Å; A512-L514 HydrophobicContact CB-CD2 4.13Å; A512-L514 HydrophobicContact CB-CG 3.75Å; A512-L514 PolarHBondContact O-N 2.92Å; L514-M531 WeakPolarHBondContact O-CE 3.22Å; L514-M550 PolarHBondContact N-O 2.84Å
515F98Very high95.4Very high0 Ų024.9 Ų24.90%015%0.15CC..EExtended strand (participates in β ladder)trans-99.6125.2-160.2-53.4-66.5000111.8V454 V456 F457 F458 L549 M550V454-F515 HydrophobicContact CG1-CB 3.38Å; V454-F515 HydrophobicContact CG1-CG 4.43Å; V456-F515 HydrophobicContact CB-CD1 4.29Å; V456-F515 HydrophobicContact CB-CD2 4.05Å; V456-F515 HydrophobicContact CB-CE1 4.19Å; V456-F515 HydrophobicContact CB-CE2 3.92Å; V456-F515 HydrophobicContact CB-CG 4.22Å; V456-F515 HydrophobicContact CB-CZ 3.98Å; V456-F515 HydrophobicContact CG1-CB 4.46Å; V456-F515 HydrophobicContact CG1-CD1 4.47Å; V456-F515 HydrophobicContact CG1-CD2 3.56Å; V456-F515 HydrophobicContact CG1-CE2 3.82Å; V456-F515 HydrophobicContact CG1-CG 3.9Å; V456-F515 HydrophobicContact CG1-CZ 4.38Å; F457-F515 AromaticContact CD1-CD1 3.84Å; F457-F515 HydrophobicContact CD1-CD1 3.84Å; F457-F515 AromaticContact CD1-CE1 3.61Å; F457-F515 HydrophobicContact CD1-CE1 3.61Å; F457-F515 AromaticContact CE1-CD1 3.89Å; F457-F515 HydrophobicContact CE1-CD1 3.89Å; F457-F515 AromaticContact CE1-CE1 3.79Å; F457-F515 HydrophobicContact CE1-CE1 3.79Å; F457-F515 HydrophobicContact CG-CE1 4.09Å; F457-F515 HydrophobicContact CZ-CE1 4.37Å; F458-F515 HydrophobicContact CD1-CZ 4.47Å; F458-F515 HydrophobicContact CE1-CE2 4.2Å; F458-F515 AromaticContact CE1-CZ 3.7Å; F458-F515 HydrophobicContact CE1-CZ 3.7Å; F458-F515 HydrophobicContact CE2-CZ 4.35Å; F458-F515 AromaticContact CZ-CE2 3.81Å; F458-F515 HydrophobicContact CZ-CE2 3.81Å; F458-F515 AromaticContact CZ-CZ 3.62Å; F458-F515 HydrophobicContact CZ-CZ 3.62Å; F515-L549 WeakPolarHBondContact O-CA 3.41Å; F515-M550 WeakPolarHBondContact CB-O 3.46Å; F515-M550 WeakPolarHBondContact CD2-O 3.3Å; F515-M550 PolarHBondContact N-O 2.72Å; F515-M550 PolarHBondContact O-N 3.29Å
516P97.9Very high96.5Very high0 Ų022.7 Ų22.70%013%0.134CC..EExtended strand (participates in β ladder)trans-64.3136.1-179.1-23.134000113.7A527 M531 P543 P544 A547 L549P516-A527 HydrophobicContact CB-CB 4.49Å; P516-A527 HydrophobicContact CG-CB 4.34Å; P516-M531 HydrophobicContact CG-SD 3.66Å; P516-P543 HydrophobicContact CG-CB 4.19Å; P516-P544 HydrophobicContact CB-CG 4.29Å; P516-P544 HydrophobicContact CG-CG 4.5Å; P516-A547 HydrophobicContact CB-CB 4.36Å; P516-L549 HydrophobicContact CB-CD2 4.28Å; P516-L549 HydrophobicContact CG-CD2 4.02Å
517V98.1Very high97Very high17 Ų1720.8 Ų20.810%0.10312%0.121CC..PPolyproline II helixtrans-83.3123.4168.4-176.20000109.1H447 V454 A548 M550H447-V517 HydrophobicContact CB-CG1 4.14Å; V454-V517 HydrophobicContact CG2-CB 4.41Å; V454-V517 HydrophobicContact CG2-CG2 3.91Å; V517-A548 HydrophobicContact CB-CB 4.4Å; V517-A548 HydrophobicContact CG2-CB 4.13Å; V517-A548 WeakPolarHBondContact CG2-O 3.33Å; V517-A548 PolarHBondContact N-O 2.89Å; V517-M550 HydrophobicContact CG2-CB 4.37Å; V517-M550 HydrophobicContact CG2-CE 3.79Å; V517-M550 HydrophobicContact CG2-CG 3.6Å; V517-M550 HydrophobicContact CG2-SD 3.76Å
518C97.8Very high97.2Very high19 Ų1920.7 Ų20.713%0.12812%0.12CC..BIsolated β-bridgetrans-126.1156.8-179.9-600000111.7S452 F453 E520S452-C518 CarbonylContact C-O 3.5Å; S452-C518 WeakPolarHBondContact CA-O 3.49Å; S452-C518 WeakPolarHBondContact CB-O 3.34Å; F453-C518 PolarHBondContact N-O 3.18Å; F453-C518 PolarHBondContact O-N 3.34Å; C518-E520 VanDerWaalsContact C-N 3.33Å
519S95.9Very high97.4Very high93 Ų9320.2 Ų20.265%0.6512%0.117SC*.SBendtrans-76.6-19.1177.252.40000113.6F453F453-S519 WeakPolarHBondContact CD2-O 3.46Å; F453-S519 WeakPolarHBondContact CE2-O 3.3Å
520E96.5Very high97.5Very high105 Ų10526 Ų2649%0.49114%0.139SC..SBendtrans-131.3147.1-176.2-63.7176.1174.300111.6F453 C518 S523 S524F453-E520 VanDerWaalsContact CD2-C 3.49Å; C518-E520 VanDerWaalsContact C-N 3.33Å; E520-S523 PolarHBondContact O-N 3.49Å; E520-S523 PolarHBondContact OE2-OG 3.11Å; E520-S524 PolarHBondContact O-N 2.83Å
521Q96.6Very high97.6Very high29 Ų2925.5 Ų25.514%0.13614%0.137CC..Hα-helixtrans-62.1-46.9-179.1-163.7177.917.100112.1S425 W427 T442 F453 S523 S524 F525S425-Q521 PolarHBondContact O-NE2 3.34Å; W427-Q521 HydrophobicContact CB-CB 4.33Å; W427-Q521 HydrophobicContact CB-CG 4Å; T442-Q521 HydrophobicContact CG2-CG 3.8Å; F453-Q521 HydrophobicContact CD1-CB 3.91Å; F453-Q521 HydrophobicContact CD1-CG 4.14Å; F453-Q521 HydrophobicContact CE1-CB 4.1Å; F453-Q521 HydrophobicContact CE1-CG 4.49Å; F453-Q521 HydrophobicContact CG-CB 4.2Å; Q521-S523 PolarHBondContact O-N 3.42Å; Q521-S524 PolarHBondContact O-N 2.83Å; Q521-F525 PolarHBondContact O-N 2.88Å
522Q97.9Very high97.7Very high57 Ų5725.2 Ų25.227%0.26614%0.135SC..Hα-helixtrans-62.3-42178.1-72.9175.8-39.900112.1W427 F525 S526W427-Q522 HydrophobicContact CB-CG 3.98Å; W427-Q522 HydrophobicContact CD2-CG 4Å; W427-Q522 HydrophobicContact CG-CG 3.61Å; W427-Q522 VanDerWaalsContact NE1-NE2 3.15Å; Q522-F525 PolarHBondContact O-N 3.46Å; Q522-S526 VanDerWaalsContact O-CB 3.29Å; Q522-S526 WeakPolarHBondContact O-CB 3.33Å; Q522-S526 PolarHBondContact O-N 3.3Å; Q522-S526 PolarHBondContact O-OG 3.11Å
523S97.4Very high97.7Very high52 Ų5228.5 Ų28.536%0.36415%0.151SC..Hα-helixtrans-64.9-40.9177-70.20000111.7E520 Q521 A527E520-S523 PolarHBondContact O-N 3.49Å; E520-S523 PolarHBondContact OE2-OG 3.11Å; Q521-S523 PolarHBondContact O-N 3.42Å; S523-A527 WeakPolarHBondContact O-CB 3.24Å; S523-A527 PolarHBondContact O-N 3.27Å
524S98.3Very high97.8Very high0 Ų028.4 Ų28.40%015%0.15CC..Hα-helixtrans-61.9-49.1174.8-160.50000111.6F453 V454 T455 E520 Q521 S526 A527 S528F453-S524 PolarHBondContact O-OG 2.96Å; F453-S524 VanDerWaalsContact O-OG 3.07Å; V454-S524 VanDerWaalsContact CA-OG 3.26Å; V454-S524 WeakPolarHBondContact CA-OG 3.26Å; V454-S524 PolarHBondContact N-OG 2.86Å; T455-S524 PolarHBondContact N-OG 3.43Å; T455-S524 PolarHBondContact OG1-OG 3.38Å; E520-S524 PolarHBondContact O-N 2.83Å; Q521-S524 PolarHBondContact O-N 2.83Å; S524-S526 PolarHBondContact O-N 2.87Å; S524-A527 PolarHBondContact O-N 2.81Å; S524-S528 PolarHBondContact O-N 3.34Å; S524-S528 PolarHBondContact O-OG 3.45Å
525F98.7Very high97.8Very high0 Ų028.7 Ų28.70%015%0.151CC..Hα-helixtrans-60.5-47178.6-174.5-85.8000111.6C426 V428 L432 V434 M440 T455 Q521 Q522 A527 S528 L529C426-F525 HydrophobicContact CB-CD2 3.72Å; C426-F525 HydrophobicContact CB-CE2 3.85Å; V428-F525 HydrophobicContact CB-CD1 4.34Å; V428-F525 HydrophobicContact CB-CE1 4.05Å; V428-F525 HydrophobicContact CB-CZ 4.36Å; V428-F525 HydrophobicContact CG1-CD1 4.06Å; V428-F525 HydrophobicContact CG1-CE1 3.5Å; V428-F525 HydrophobicContact CG1-CZ 4.06Å; V428-F525 HydrophobicContact CG2-CD1 4.07Å; V428-F525 HydrophobicContact CG2-CD2 4.2Å; V428-F525 HydrophobicContact CG2-CE1 3.65Å; V428-F525 HydrophobicContact CG2-CE2 3.77Å; V428-F525 HydrophobicContact CG2-CG 4.34Å; V428-F525 HydrophobicContact CG2-CZ 3.48Å; V428-F525 VanDerWaalsContact CG2-CZ 3.48Å; L432-F525 HydrophobicContact CD1-CD1 4.15Å; L432-F525 HydrophobicContact CD1-CE1 4.3Å; V434-F525 HydrophobicContact CG2-CE1 4.41Å; V434-F525 HydrophobicContact CG2-CZ 3.82Å; M440-F525 HydrophobicContact CB-CE2 4.08Å; M440-F525 HydrophobicContact CE-CD2 3.96Å; M440-F525 HydrophobicContact CE-CE1 4.42Å; M440-F525 HydrophobicContact CE-CE2 3.62Å; M440-F525 HydrophobicContact CE-CZ 3.87Å; M440-F525 HydrophobicContact SD-CE2 3.7Å; M440-F525 HydrophobicContact SD-CZ 3.67Å; T455-F525 HydrophobicContact CG2-CD2 3.89Å; T455-F525 WeakPolarHBondContact OG1-CA 3.22Å; T455-F525 PolarHBondContact OG1-N 2.81Å; T455-F525 VanDerWaalsContact OG1-N 3.14Å; Q521-F525 PolarHBondContact O-N 2.88Å; Q522-F525 PolarHBondContact O-N 3.46Å; F525-A527 VanDerWaalsContact C-N 3.33Å; F525-A527 PolarHBondContact O-N 3.1Å; F525-S528 PolarHBondContact O-N 3.08Å; F525-L529 HydrophobicContact CD1-CB 4.5Å; F525-L529 HydrophobicContact CE1-CB 4.22Å; F525-L529 HydrophobicContact CE1-CD2 3.93Å; F525-L529 WeakPolarHBondContact O-CB 3.42Å; F525-L529 PolarHBondContact O-N 3.23Å
526S98.3Very high97.7Very high26 Ų2632.5 Ų32.518%0.18217%0.172CC..Hα-helixtrans-65.9-33.6-178.7-56.30000112.7Q522 S524 R530Q522-S526 VanDerWaalsContact O-CB 3.29Å; Q522-S526 WeakPolarHBondContact O-CB 3.33Å; Q522-S526 PolarHBondContact O-N 3.3Å; Q522-S526 PolarHBondContact O-OG 3.11Å; S524-S526 PolarHBondContact O-N 2.87Å; S526-R530 VanDerWaalsContact O-CG 3.3Å; S526-R530 WeakPolarHBondContact O-CG 3.22Å; S526-R530 PolarHBondContact O-N 2.86Å; S526-R530 PolarHBondContact O-NE 3.34Å; S526-R530 VanDerWaalsContact O-NE 3.11Å
527A98.2Very high97.6Very high2 Ų236.4 Ų36.42%0.01720%0.199CC..Hα-helixtrans-68-49.8174.100000111.1P516 S523 S524 F525 L529 R530 M531 P544P516-A527 HydrophobicContact CB-CB 4.49Å; P516-A527 HydrophobicContact CG-CB 4.34Å; S523-A527 WeakPolarHBondContact O-CB 3.24Å; S523-A527 PolarHBondContact O-N 3.27Å; S524-A527 PolarHBondContact O-N 2.81Å; F525-A527 VanDerWaalsContact C-N 3.33Å; F525-A527 PolarHBondContact O-N 3.1Å; A527-L529 PolarHBondContact O-N 2.92Å; A527-R530 PolarHBondContact O-N 3.11Å; A527-M531 WeakPolarHBondContact O-CG 3.21Å; A527-M531 PolarHBondContact O-N 3.1Å; A527-M531 VanDerWaalsContact O-N 3.11Å; A527-P544 HydrophobicContact CB-CG 3.81Å
528S98.5Very high97.4Very high0 Ų037.9 Ų37.90%022%0.218CC..Hα-helixtrans-63.3-41.1179-69.70000112.9T455 S524 F525 R530 M531 L532T455-S528 WeakPolarHBondContact O-CB 3.03Å; T455-S528 PolarHBondContact O-OG 3.5Å; S524-S528 PolarHBondContact O-N 3.34Å; S524-S528 PolarHBondContact O-OG 3.45Å; F525-S528 PolarHBondContact O-N 3.08Å; S528-R530 PolarHBondContact O-N 2.81Å; S528-M531 WeakPolarHBondContact O-CB 3.44Å; S528-M531 PolarHBondContact O-N 3.13Å; S528-L532 PolarHBondContact O-N 3.38Å
529L98.6Very high97.3Very high2 Ų239.6 Ų39.61%0.0123%0.23CC..Hα-helixtrans-62.6-41.8176.2-179.361.3000111.8L432 M440 F525 A527 M531 L532 Q533L432-L529 HydrophobicContact CB-CD2 3.91Å; L432-L529 HydrophobicContact CD1-CD2 4.21Å; L432-L529 HydrophobicContact CD2-CD2 4.41Å; L432-L529 HydrophobicContact CG-CD2 4.41Å; M440-L529 HydrophobicContact CE-CB 4.08Å; M440-L529 HydrophobicContact SD-CD1 4.17Å; F525-L529 HydrophobicContact CD1-CB 4.5Å; F525-L529 HydrophobicContact CE1-CB 4.22Å; F525-L529 HydrophobicContact CE1-CD2 3.93Å; F525-L529 WeakPolarHBondContact O-CB 3.42Å; F525-L529 PolarHBondContact O-N 3.23Å; A527-L529 PolarHBondContact O-N 2.92Å; L529-M531 VanDerWaalsContact C-N 3.32Å; L529-M531 PolarHBondContact O-N 3.37Å; L529-L532 PolarHBondContact O-N 3.24Å; L529-Q533 HydrophobicContact CD1-CG 4.1Å; L529-Q533 HydrophobicContact CG-CG 4.27Å; L529-Q533 WeakPolarHBondContact O-CB 3.26Å; L529-Q533 VanDerWaalsContact O-CG 3.31Å; L529-Q533 WeakPolarHBondContact O-CG 3.47Å; L529-Q533 PolarHBondContact O-N 2.96Å
530R98.1Very high97.2Very high122 Ų12240.3 Ų40.346%0.4623%0.23SC..Hα-helixtrans-63.7-37.6176.2-76.7-178.1-66.7140.8-6.3112.3S526 A527 S528 A534S526-R530 VanDerWaalsContact O-CG 3.3Å; S526-R530 WeakPolarHBondContact O-CG 3.22Å; S526-R530 PolarHBondContact O-N 2.86Å; S526-R530 PolarHBondContact O-NE 3.34Å; S526-R530 VanDerWaalsContact O-NE 3.11Å; A527-R530 PolarHBondContact O-N 3.11Å; S528-R530 PolarHBondContact O-N 2.81Å; R530-A534 WeakPolarHBondContact O-CB 3.49Å; R530-A534 PolarHBondContact O-N 2.76Å
531M98.1Very high97.1Very high1 Ų136.2 Ų36.21%0.00521%0.214CC..Hα-helixtrans-64.7-43.1174.8-71.1176.566.400111.3F457 W491 L514 P516 A527 S528 L529 A534 I535 P543F457-M531 HydrophobicContact CE1-CB 4.06Å; F457-M531 HydrophobicContact CZ-CB 3.93Å; W491-M531 HydrophobicContact CD2-CE 3.71Å; W491-M531 HydrophobicContact CE3-CE 4.04Å; W491-M531 HydrophobicContact CG-CE 3.99Å; W491-M531 HydrophobicContact CZ2-CE 4.32Å; W491-M531 PolarHBondContact NE1-O 2.9Å; L514-M531 WeakPolarHBondContact O-CE 3.22Å; P516-M531 HydrophobicContact CG-SD 3.66Å; A527-M531 WeakPolarHBondContact O-CG 3.21Å; A527-M531 PolarHBondContact O-N 3.1Å; A527-M531 VanDerWaalsContact O-N 3.11Å; S528-M531 WeakPolarHBondContact O-CB 3.44Å; S528-M531 PolarHBondContact O-N 3.13Å; L529-M531 VanDerWaalsContact C-N 3.32Å; L529-M531 PolarHBondContact O-N 3.37Å; M531-A534 PolarHBondContact O-N 3.15Å; M531-I535 PolarHBondContact O-N 3.1Å; M531-P543 HydrophobicContact CE-CB 4.44Å; M531-P543 HydrophobicContact SD-CB 4.08Å
532L98.3Very high96.9Very high0 Ų038.5 Ų38.50%023%0.231CC..Hα-helixtrans-63.6-49.5175.4174.555.5000112.1P435 A438 M440 F457 F480 S528 L529 A534 I535 L536P435-L532 HydrophobicContact CG-CD2 3.62Å; P435-L532 HydrophobicContact CG-CG 3.9Å; A438-L532 HydrophobicContact CB-CD2 3.98Å; M440-L532 HydrophobicContact SD-CD2 4.42Å; F457-L532 HydrophobicContact CD2-CB 3.92Å; F457-L532 HydrophobicContact CD2-CD1 4.02Å; F457-L532 HydrophobicContact CD2-CD2 4.4Å; F457-L532 HydrophobicContact CD2-CG 4.33Å; F457-L532 HydrophobicContact CE2-CB 3.98Å; F457-L532 HydrophobicContact CE2-CD1 4.24Å; F457-L532 HydrophobicContact CG-CB 4.33Å; F457-L532 HydrophobicContact CZ-CB 4.43Å; F480-L532 HydrophobicContact CD1-CD1 4.27Å; F480-L532 HydrophobicContact CD2-CD1 3.7Å; F480-L532 HydrophobicContact CE1-CD1 3.91Å; F480-L532 HydrophobicContact CE2-CD1 3.29Å; F480-L532 HydrophobicContact CE2-CD2 4.43Å; F480-L532 HydrophobicContact CE2-CG 4.48Å; F480-L532 HydrophobicContact CG-CD1 4.17Å; F480-L532 HydrophobicContact CZ-CD1 3.4Å; F480-L532 VanDerWaalsContact CZ-CD1 3.4Å; F480-L532 HydrophobicContact CZ-CD2 3.97Å; F480-L532 HydrophobicContact CZ-CG 4.34Å; S528-L532 PolarHBondContact O-N 3.38Å; L529-L532 PolarHBondContact O-N 3.24Å; L532-A534 PolarHBondContact O-N 3.18Å; L532-I535 HydrophobicContact CD1-CD1 4.11Å; L532-I535 HydrophobicContact CD1-CG1 4.23Å; L532-I535 WeakPolarHBondContact O-CG1 3.44Å; L532-I535 PolarHBondContact O-N 3.06Å; L532-L536 HydrophobicContact CD1-CD1 3.9Å; L532-L536 HydrophobicContact CD1-CG 4.08Å; L532-L536 HydrophobicContact CG-CD1 4.16Å; L532-L536 WeakPolarHBondContact O-CG 3.46Å; L532-L536 PolarHBondContact O-N 3.07Å
533Q97.8Very high96.6Very high70 Ų7037 Ų3733%0.32723%0.226SC..Hα-helixtrans-60.1-33.4178.3-73.5173.2-21.100112C433 L529 L536 S537C433-Q533 PolarHBondContact O-NE2 2.97Å; L529-Q533 HydrophobicContact CD1-CG 4.1Å; L529-Q533 HydrophobicContact CG-CG 4.27Å; L529-Q533 WeakPolarHBondContact O-CB 3.26Å; L529-Q533 VanDerWaalsContact O-CG 3.31Å; L529-Q533 WeakPolarHBondContact O-CG 3.47Å; L529-Q533 PolarHBondContact O-N 2.96Å; Q533-L536 PolarHBondContact O-N 3.32Å; Q533-S537 VanDerWaalsContact O-CB 3.28Å; Q533-S537 WeakPolarHBondContact O-CB 3.46Å; Q533-S537 PolarHBondContact O-N 3.17Å; Q533-S537 PolarHBondContact O-OG 2.89Å
534A97.3Very high96.2Very high2 Ų236.7 Ų36.72%0.01722%0.223CC..Hα-helixtrans-65.1-45.617800000112.9R530 M531 L532 L536 S537 G538 S539R530-A534 WeakPolarHBondContact O-CB 3.49Å; R530-A534 PolarHBondContact O-N 2.76Å; M531-A534 PolarHBondContact O-N 3.15Å; L532-A534 PolarHBondContact O-N 3.18Å; A534-L536 VanDerWaalsContact C-N 3.31Å; A534-L536 PolarHBondContact O-N 2.6Å; A534-S537 PolarHBondContact O-N 3.45Å; A534-S537 PolarHBondContact O-OG 3.22Å; A534-G538 PolarHBondContact O-N 3.27Å; A534-S539 WeakPolarHBondContact CA-OG 3.25Å; A534-S539 PolarHBondContact O-N 3.48Å
535I97.2Very high95.6Very high5 Ų547.4 Ų47.43%0.02626%0.263CS..Hα-helixtrans-67.1-34178.162.3167.7000111.9L479 F480 L482 C487 H490 W491 M531 L532L479-I535 HydrophobicContact CD2-CD1 4.26Å; L479-I535 HydrophobicContact CG-CD1 4.27Å; F480-I535 HydrophobicContact CD2-CD1 4.22Å; L482-I535 HydrophobicContact CD1-CB 4.1Å; L482-I535 WeakPolarHBondContact CD1-O 3.17Å; C487-I535 HydrophobicContact CB-CG2 3.94Å; H490-I535 HydrophobicContact CB-CG2 3.94Å; W491-I535 HydrophobicContact CZ2-CD1 4.32Å; W491-I535 HydrophobicContact CZ2-CG2 3.71Å; M531-I535 PolarHBondContact O-N 3.1Å; L532-I535 HydrophobicContact CD1-CD1 4.11Å; L532-I535 HydrophobicContact CD1-CG1 4.23Å; L532-I535 WeakPolarHBondContact O-CG1 3.44Å; L532-I535 PolarHBondContact O-N 3.06Å
536L96.3Very high94.9Very high81 Ų8155 Ų5542%0.42430%0.304SS..Hα-helixtrans-76.5-32.8179.1-64.1179.9000113.2P435 F480 L532 Q533 A534P435-L536 HydrophobicContact CB-CD1 3.47Å; P435-L536 VanDerWaalsContact CB-CD1 3.47Å; P435-L536 HydrophobicContact CG-CD1 3.5Å; P435-L536 VanDerWaalsContact CG-CD1 3.5Å; F480-L536 HydrophobicContact CB-CD2 4.11Å; F480-L536 HydrophobicContact CD1-CD2 4.03Å; F480-L536 HydrophobicContact CG-CD2 4.23Å; L532-L536 HydrophobicContact CD1-CD1 3.9Å; L532-L536 HydrophobicContact CD1-CG 4.08Å; L532-L536 HydrophobicContact CG-CD1 4.16Å; L532-L536 WeakPolarHBondContact O-CG 3.46Å; L532-L536 PolarHBondContact O-N 3.07Å; Q533-L536 PolarHBondContact O-N 3.32Å; A534-L536 VanDerWaalsContact C-N 3.31Å; A534-L536 PolarHBondContact O-N 2.6Å
537S95.1Very high94.5Very high81 Ų8155.2 Ų55.257%0.56631%0.307SS*.Hα-helixtrans-90.4-7.9179.159.90000113.9Q533 A534 S539Q533-S537 VanDerWaalsContact O-CB 3.28Å; Q533-S537 WeakPolarHBondContact O-CB 3.46Å; Q533-S537 PolarHBondContact O-N 3.17Å; Q533-S537 PolarHBondContact O-OG 2.89Å; A534-S537 PolarHBondContact O-N 3.45Å; A534-S537 PolarHBondContact O-OG 3.22Å; S537-S539 PolarHBondContact O-N 2.97Å; S537-S539 PolarHBondContact OG-OG 3.25Å
538G93.8Very high94.3Very high49 Ų4957 Ų5751%0.50532%0.322SS..THydrogen-bonded Turntrans70.116.1-172.600000113.9H490 A534H490-G538 VanDerWaalsContact CE1-C 3.5Å; H490-G538 VanDerWaalsContact CE1-CA 3.45Å; H490-G538 WeakPolarHBondContact CE1-CA 3.17Å; H490-G538 PolarHBondContact CE1-O 3.38Å; A534-G538 PolarHBondContact O-N 3.27Å
539S95.7Very high94.2Very high55 Ų5558.6 Ų58.639%0.38533%0.33SS..  trans-88.6174.5177.463.50000111.8H490 A534 S537H490-S539 PolarHBondContact ND1-O 3.42Å; A534-S539 WeakPolarHBondContact CA-OG 3.25Å; A534-S539 PolarHBondContact O-N 3.48Å; S537-S539 PolarHBondContact O-N 2.97Å; S537-S539 PolarHBondContact OG-OG 3.25Å
540T94.4Very high94.2Very high107 Ų10758.8 Ų58.866%0.65633%0.331SS*.  trans-106126.2177.4-53.10000110H490H490-T540 CarbonylContact O-C 3.53Å; H490-T540 VanDerWaalsContact O-CA 3.25Å; H490-T540 WeakPolarHBondContact O-CA 3.42Å; H490-T540 WeakPolarHBondContact O-CG2 3.26Å
541S94.1Very high94.2Very high20 Ų2053 Ų5314%0.1431%0.309CS..  trans-144.993.6176-1730000109.5H490H490-S541 PolarHBondContact O-N 3.11Å
542P92.2Very high94.1Very high76 Ų7652.9 Ų52.949%0.49431%0.309SS..PPolyproline II helixtrans-68153.5177.629-33.8000111.2W491W491-P542 VanDerWaalsContact O-CA 3.25Å; W491-P542 WeakPolarHBondContact O-CA 3.4Å; W491-P542 WeakPolarHBondContact O-CB 3.41Å
543P91.3Very high93.9Very high27 Ų2755.3 Ų55.318%0.17532%0.32CS..PPolyproline II helixtrans-59159.417226.8-34.4000110.6W491 M493 P516 M531 R545 L549W491-P543 WeakPolarHBondContact O-CD 3.46Å; M493-P543 HydrophobicContact SD-CG 4.27Å; P516-P543 HydrophobicContact CG-CB 4.19Å; M531-P543 HydrophobicContact CE-CB 4.44Å; M531-P543 HydrophobicContact SD-CB 4.08Å; P543-R545 PolarHBondContact O-N 3.15Å; P543-L549 HydrophobicContact CB-CD2 4.07Å
544P90.7Very high93.8Very high44 Ų4452.3 Ų52.329%0.28631%0.306SS..PPolyproline II helixtrans-51.8136.4177.4-22.932.1000111.5P516 A527 D546 A547P516-P544 HydrophobicContact CB-CG 4.29Å; P516-P544 HydrophobicContact CG-CG 4.5Å; A527-P544 HydrophobicContact CB-CG 3.81Å; P544-D546 PolarHBondContact O-N 3.35Å; P544-A547 HydrophobicContact CB-CB 4.01Å; P544-A547 VanDerWaalsContact O-CB 3.26Å; P544-A547 WeakPolarHBondContact O-CB 3.25Å; P544-A547 PolarHBondContact O-N 3.38Å; P544-A547 VanDerWaalsContact O-N 3.12Å
545R85.2Confident93.7Very high225 Ų22552.2 Ų52.285%0.84931%0.306SS*.THydrogen-bonded Turntrans-57.3135.8-176.9-170.1-175.7-72.6-157.3-2.7110.1P543 A547P543-R545 PolarHBondContact O-N 3.15Å; R545-A547 PolarHBondContact O-N 2.9Å
546D84Confident93.5Very high159 Ų15953.1 Ų53.185%0.8531%0.31SS*.THydrogen-bonded Turntrans61.18.7179.4-50.3-44.4000115.1P544 A548P544-D546 PolarHBondContact O-N 3.35Å; D546-A548 PolarHBondContact O-N 3.04Å
547A89Confident93.3Very high31 Ų3155.4 Ų55.426%0.25632%0.319SS..  trans-70.4131174.200000110.7P516 P544 R545P516-A547 HydrophobicContact CB-CB 4.36Å; P544-A547 HydrophobicContact CB-CB 4.01Å; P544-A547 VanDerWaalsContact O-CB 3.26Å; P544-A547 WeakPolarHBondContact O-CB 3.25Å; P544-A547 PolarHBondContact O-N 3.38Å; P544-A547 VanDerWaalsContact O-N 3.12Å; R545-A547 PolarHBondContact O-N 2.9Å
548A95.1Very high93.2Very high40 Ų4056.9 Ų56.933%0.33131%0.312SS..  trans-63.2141166.300000109.4V517 D546V517-A548 HydrophobicContact CB-CB 4.4Å; V517-A548 HydrophobicContact CG2-CB 4.13Å; V517-A548 WeakPolarHBondContact CG2-O 3.33Å; V517-A548 PolarHBondContact N-O 2.89Å; D546-A548 PolarHBondContact O-N 3.04Å
549L96.8Very high93.1Very high34 Ų3455.7 Ų55.718%0.17829%0.293CS..EExtended strand (participates in β ladder)trans-106.5134.4173.9-56.4-178.2000110.3M493 R499 C513 F515 P516 P543M493-L549 HydrophobicContact CE-CD1 3.54Å; M493-L549 HydrophobicContact SD-CD1 4.04Å; R499-L549 PolarHBondContact NH2-O 3.34Å; C513-L549 HydrophobicContact CB-CB 4.38Å; C513-L549 VanDerWaalsContact O-CB 3.29Å; C513-L549 WeakPolarHBondContact O-CB 3.39Å; C513-L549 WeakPolarHBondContact O-CD1 3.46Å; F515-L549 WeakPolarHBondContact O-CA 3.41Å; P516-L549 HydrophobicContact CB-CD2 4.28Å; P516-L549 HydrophobicContact CG-CD2 4.02Å; P543-L549 HydrophobicContact CB-CD2 4.07Å
550M97.7Very high93Very high5 Ų554.7 Ų54.73%0.02528%0.283CS..EExtended strand (participates in β ladder)trans-116.4151175.5-72.2-172.3179.200110.8V445 H447 V454 L514 F515 V517 D554V445-M550 HydrophobicContact CG2-CE 4.46Å; V445-M550 HydrophobicContact CG2-SD 4.11Å; H447-M550 HydrophobicContact CB-CE 4.02Å; H447-M550 WeakPolarHBondContact CD2-CE 3.4Å; V454-M550 HydrophobicContact CG2-CB 4.47Å; V454-M550 HydrophobicContact CG2-SD 4.1Å; L514-M550 PolarHBondContact N-O 2.84Å; F515-M550 WeakPolarHBondContact CB-O 3.46Å; F515-M550 WeakPolarHBondContact CD2-O 3.3Å; F515-M550 PolarHBondContact N-O 2.72Å; F515-M550 PolarHBondContact O-N 3.29Å; V517-M550 HydrophobicContact CG2-CB 4.37Å; V517-M550 HydrophobicContact CG2-CE 3.79Å; V517-M550 HydrophobicContact CG2-CG 3.6Å; V517-M550 HydrophobicContact CG2-SD 3.76Å; M550-D554 HydrophobicContact CB-CB 4.01Å; M550-D554 HydrophobicContact CG-CB 4.17Å
551S97.6Very high92.9Very high0 Ų050.5 Ų50.50%026%0.257CS..  trans-87.7170.5165.268.80000110.9S501 N511 A512 Q553 D554 C555S501-S551 WeakPolarHBondContact CB-OG 3.35Å; S501-S551 PolarHBondContact OG-OG 2.6Å; N511-S551 WeakPolarHBondContact O-CB 3.28Å; A512-S551 WeakPolarHBondContact O-CA 3.3Å; A512-S551 WeakPolarHBondContact O-CB 3.49Å; S551-Q553 VanDerWaalsContact C-N 3.25Å; S551-Q553 PolarHBondContact O-N 3.14Å; S551-Q553 PolarHBondContact OG-N 2.83Å; S551-D554 PolarHBondContact O-N 2.88Å; S551-D554 PolarHBondContact OG-N 3.41Å; S551-C555 PolarHBondContact O-N 2.54Å; S551-C555 PolarHBondContact O-SG 3.26Å
552M96.4Very high92.7Very high0 Ų056.1 Ų56.10%028%0.281CS..Hα-helixtrans-59.9-40.4170.8-176.659.5-176.700110.9P122 L443 V456 F458 W510 C555 L556P122-M552 HydrophobicContact CB-CE 4.03Å; P122-M552 VanDerWaalsContact O-CE 3.31Å; P122-M552 WeakPolarHBondContact O-CE 3.31Å; L443-M552 HydrophobicContact CD1-CE 4.03Å; L443-M552 HydrophobicContact CD1-SD 3.54Å; L443-M552 VanDerWaalsContact CD1-SD 3.54Å; V456-M552 HydrophobicContact CG1-SD 3.99Å; V456-M552 HydrophobicContact CG2-SD 4.11Å; F458-M552 HydrophobicContact CZ-CB 4.44Å; W510-M552 HydrophobicContact CD2-CB 4.1Å; W510-M552 HydrophobicContact CD2-CG 3.97Å; W510-M552 HydrophobicContact CE3-CB 4.07Å; W510-M552 HydrophobicContact CE3-CG 3.71Å; W510-M552 HydrophobicContact CH2-CE 3.97Å; W510-M552 HydrophobicContact CH2-CG 3.5Å; W510-M552 VanDerWaalsContact CH2-CG 3.5Å; W510-M552 HydrophobicContact CZ2-CG 3.79Å; W510-M552 HydrophobicContact CZ3-CB 4.32Å; W510-M552 HydrophobicContact CZ3-CE 4.42Å; W510-M552 HydrophobicContact CZ3-CG 3.46Å; W510-M552 VanDerWaalsContact CZ3-CG 3.46Å; W510-M552 WeakPolarHBondContact O-CB 3.44Å; W510-M552 PolarHBondContact O-N 2.78Å; M552-C555 WeakPolarHBondContact O-CB 3.31Å; M552-C555 PolarHBondContact O-N 3.37Å; M552-L556 HydrophobicContact CE-CD1 4.16Å; M552-L556 HydrophobicContact CE-CD2 4.05Å; M552-L556 HydrophobicContact CE-CG 4.11Å; M552-L556 HydrophobicContact CG-CD1 4.49Å; M552-L556 WeakPolarHBondContact O-CG 3.39Å; M552-L556 PolarHBondContact O-N 2.97Å
553Q94.8Very high92.8Very high50 Ų5053.5 Ų53.523%0.23426%0.262CS..Hα-helixtrans-61.8-45.3175.1-176.9-178.224.100112.9S501 W510 N511 S551 C555 L556 Q557S501-Q553 PolarHBondContact O-OE1 3.35Å; S501-Q553 VanDerWaalsContact O-OE1 3.1Å; S501-Q553 WeakPolarHBondContact OG-CB 3.15Å; S501-Q553 PolarHBondContact OG-OE1 2.85Å; W510-Q553 PolarHBondContact O-N 2.79Å; W510-Q553 VanDerWaalsContact O-N 3.11Å; N511-Q553 HydrophobicContact CB-CB 4.41Å; S551-Q553 VanDerWaalsContact C-N 3.25Å; S551-Q553 PolarHBondContact O-N 3.14Å; S551-Q553 PolarHBondContact OG-N 2.83Å; Q553-C555 VanDerWaalsContact C-N 3.29Å; Q553-C555 PolarHBondContact O-N 3.01Å; Q553-L556 PolarHBondContact O-N 3.27Å; Q553-Q557 WeakPolarHBondContact O-CG 3.28Å; Q553-Q557 PolarHBondContact O-N 2.97Å
554D95.4Very high93Very high7 Ų752.7 Ų52.74%0.03726%0.256CS..Hα-helixtrans-60.3-41.6175.8-82-27.5000111R499 S501 C513 M550 S551 L556 Q557 R558R499-D554 IonicContact CZ-OD2 3.51Å; R499-D554 VanDerWaalsContact CZ-OD2 3.29Å; R499-D554 IonicContact NH1-OD1 3.57Å; R499-D554 IonicContact NH1-OD2 3.37Å; R499-D554 PolarHBondContact NH1-OD2 2.84Å; R499-D554 IonicContact NH2-OD2 3.3Å; R499-D554 PolarHBondContact NH2-OD2 3.22Å; S501-D554 VanDerWaalsContact CB-OD1 3.24Å; S501-D554 WeakPolarHBondContact CB-OD1 3.48Å; C513-D554 PolarHBondContact SG-OD2 3.07Å; M550-D554 HydrophobicContact CB-CB 4.01Å; M550-D554 HydrophobicContact CG-CB 4.17Å; S551-D554 PolarHBondContact O-N 2.88Å; S551-D554 PolarHBondContact OG-N 3.41Å; D554-L556 VanDerWaalsContact C-N 3.31Å; D554-L556 PolarHBondContact O-N 3.02Å; D554-Q557 PolarHBondContact O-N 3.24Å; D554-R558 WeakPolarHBondContact O-CB 3.22Å; D554-R558 WeakPolarHBondContact O-CG 3.4Å; D554-R558 PolarHBondContact O-N 3.14Å
555C95.9Very high93.1Very high0 Ų050.8 Ų50.80%024%0.244CC..Hα-helixtrans-60.4-43176.8-65.70000111.2L443 V445 V454 S551 M552 Q553 R558 K559L443-C555 HydrophobicContact CB-CB 4.48Å; L443-C555 HydrophobicContact CD1-CB 3.74Å; V445-C555 HydrophobicContact CG1-CB 3.99Å; V454-C555 VanDerWaalsContact CG1-SG 3.57Å; S551-C555 PolarHBondContact O-N 2.54Å; S551-C555 PolarHBondContact O-SG 3.26Å; M552-C555 WeakPolarHBondContact O-CB 3.31Å; M552-C555 PolarHBondContact O-N 3.37Å; Q553-C555 VanDerWaalsContact C-N 3.29Å; Q553-C555 PolarHBondContact O-N 3.01Å; C555-R558 CarbonylContact O-C 3.59Å; C555-R558 PolarHBondContact O-N 3.15Å; C555-K559 WeakPolarHBondContact O-CA 3.25Å; C555-K559 WeakPolarHBondContact O-CB 3.4Å; C555-K559 PolarHBondContact O-N 3.22Å
556L92.3Very high93.6Very high24 Ų2444.2 Ų44.213%0.12622%0.221CC..Hα-helixtrans-69.5-32179-68.3175.9000113.4A126 W510 M552 Q553 D554 R558 K559A126-L556 HydrophobicContact CB-CD2 4.08Å; W510-L556 HydrophobicContact CH2-CD1 3.98Å; W510-L556 HydrophobicContact CZ2-CD1 3.34Å; M552-L556 HydrophobicContact CE-CD1 4.16Å; M552-L556 HydrophobicContact CE-CD2 4.05Å; M552-L556 HydrophobicContact CE-CG 4.11Å; M552-L556 HydrophobicContact CG-CD1 4.49Å; M552-L556 WeakPolarHBondContact O-CG 3.39Å; M552-L556 PolarHBondContact O-N 2.97Å; Q553-L556 PolarHBondContact O-N 3.27Å; D554-L556 VanDerWaalsContact C-N 3.31Å; D554-L556 PolarHBondContact O-N 3.02Å; L556-R558 VanDerWaalsContact C-N 3.29Å; L556-K559 HydrophobicContact CD2-CD 4.29Å; L556-K559 VanDerWaalsContact O-CD 3.3Å; L556-K559 WeakPolarHBondContact O-CD 3.45Å; L556-K559 VanDerWaalsContact O-CG 3.27Å; L556-K559 WeakPolarHBondContact O-CG 3.33Å
557Q91.2Very high94.1Very high129 Ų12938.4 Ų38.460%0.60319%0.19SC*.Hα-helixtrans-72.1-24.8173.7-71.9178.7-10.600112.8Q553 D554Q553-Q557 WeakPolarHBondContact O-CG 3.28Å; Q553-Q557 PolarHBondContact O-N 2.97Å; D554-Q557 PolarHBondContact O-N 3.24Å
558R93.6Very high94.3Very high112 Ų11238.7 Ų38.742%0.42319%0.185SC..SBendtrans-112.77.8-176-61.3172.5-174.3-106.82.2113V445 T446 D554 C555 L556 N560V445-R558 CarbonylContact C-O 3.58Å; V445-R558 VanDerWaalsContact CA-O 3.3Å; V445-R558 WeakPolarHBondContact CA-O 3.16Å; V445-R558 HydrophobicContact CB-CB 4.29Å; T446-R558 PolarHBondContact N-O 3.37Å; D554-R558 WeakPolarHBondContact O-CB 3.22Å; D554-R558 WeakPolarHBondContact O-CG 3.4Å; D554-R558 PolarHBondContact O-N 3.14Å; C555-R558 CarbonylContact O-C 3.59Å; C555-R558 PolarHBondContact O-N 3.15Å; L556-R558 VanDerWaalsContact C-N 3.29Å; R558-N560 PolarHBondContact O-N 3.43Å
559K92.9Very high94.3Very high25 Ų2541.9 Ų41.911%0.10919%0.189CC..BIsolated β-bridgetrans-58.4136.9-173.463.7-170-179.3174.50111A126 C444 C555 L556 L561A126-K559 HydrophobicContact CB-CD 4.29Å; A126-K559 PolarHBondContact O-NZ 3Å; C444-K559 CarbonylContact O-C 3.5Å; C444-K559 WeakPolarHBondContact O-CA 3.15Å; C555-K559 WeakPolarHBondContact O-CA 3.25Å; C555-K559 WeakPolarHBondContact O-CB 3.4Å; C555-K559 PolarHBondContact O-N 3.22Å; L556-K559 HydrophobicContact CD2-CD 4.29Å; L556-K559 VanDerWaalsContact O-CD 3.3Å; L556-K559 WeakPolarHBondContact O-CD 3.45Å; L556-K559 VanDerWaalsContact O-CG 3.27Å; L556-K559 WeakPolarHBondContact O-CG 3.33Å; K559-L561 HydrophobicContact CD-CD1 4.39Å; K559-L561 HydrophobicContact CD-CD2 3.7Å; K559-L561 HydrophobicContact CD-CG 4.16Å; K559-L561 HydrophobicContact CG-CD1 4.45Å; K559-L561 HydrophobicContact CG-CD2 3.96Å; K559-L561 HydrophobicContact CG-CG 3.99Å
560N93.4Very high94.2Very high34 Ų3445.6 Ų45.618%0.18220%0.2CC..  trans-103.188.2173.4-167.4-50.1000108.9C444 T446 R558 E562 E563 M564C444-N560 HydrophobicContact CB-CB 4.36Å; C444-N560 PolarHBondContact O-N 2.87Å; T446-N560 PolarHBondContact OG1-ND2 2.82Å; T446-N560 VanDerWaalsContact OG1-ND2 3.14Å; R558-N560 PolarHBondContact O-N 3.43Å; N560-E562 VanDerWaalsContact C-N 3.33Å; N560-E562 PolarHBondContact O-N 2.9Å; N560-E563 HydrophobicContact CB-CB 4.42Å; N560-E563 PolarHBondContact O-N 3.49Å; N560-E563 WeakPolarHBondContact OD1-CB 3.23Å; N560-E563 PolarHBondContact OD1-N 2.78Å; N560-M564 WeakPolarHBondContact O-CG 3.41Å; N560-M564 PolarHBondContact O-N 2.88Å; N560-M564 VanDerWaalsContact O-N 3.11Å
561L91.1Very high94Very high19 Ų1945.9 Ų45.910%0.09920%0.202CC..Hα-helixtrans-65.4-36.8-173.4-63.1169.2000112.4S48 A52 A126 L127 K559 M564 L565S48-L561 VanDerWaalsContact O-CD1 3.22Å; S48-L561 WeakPolarHBondContact O-CD1 3.48Å; S48-L561 WeakPolarHBondContact OG-CD1 3.36Å; A52-L561 HydrophobicContact CB-CB 4.06Å; A52-L561 HydrophobicContact CB-CD1 3.45Å; A52-L561 VanDerWaalsContact CB-CD1 3.45Å; A52-L561 HydrophobicContact CB-CD2 4.2Å; A52-L561 HydrophobicContact CB-CG 4.08Å; A126-L561 WeakPolarHBondContact O-CD2 3.48Å; L127-L561 HydrophobicContact CD2-CD2 3.98Å; K559-L561 HydrophobicContact CD-CD1 4.39Å; K559-L561 HydrophobicContact CD-CD2 3.7Å; K559-L561 HydrophobicContact CD-CG 4.16Å; K559-L561 HydrophobicContact CG-CD1 4.45Å; K559-L561 HydrophobicContact CG-CD2 3.96Å; K559-L561 HydrophobicContact CG-CG 3.99Å; L561-M564 HydrophobicContact CD2-SD 4.49Å; L561-M564 PolarHBondContact O-N 2.82Å; L561-L565 WeakPolarHBondContact O-CG 3.48Å; L561-L565 PolarHBondContact O-N 3.27Å
562E90.8Very high93.9Very high138 Ų13847.8 Ų47.865%0.64521%0.211SC*.Hα-helixtrans-62.4-45.6178.2-173.8178.3-177.800111.4N560 L565 K566N560-E562 VanDerWaalsContact C-N 3.33Å; N560-E562 PolarHBondContact O-N 2.9Å; E562-L565 PolarHBondContact O-N 2.81Å; E562-K566 WeakPolarHBondContact O-CB 3.31Å; E562-K566 PolarHBondContact O-N 3.46Å
563E94.6Very high93.7Very high21 Ų2153.3 Ų53.310%0.09824%0.236CC..Hα-helixtrans-68.5-38.2177.3-169.662.8-140.600111.6C444 I451 N560 L565 K566 L567 R570C444-E563 HydrophobicContact CB-CB 4.43Å; I451-E563 HydrophobicContact CD1-CB 4.28Å; I451-E563 HydrophobicContact CD1-CG 4.03Å; I451-E563 HydrophobicContact CG2-CG 4.07Å; N560-E563 HydrophobicContact CB-CB 4.42Å; N560-E563 PolarHBondContact O-N 3.49Å; N560-E563 WeakPolarHBondContact OD1-CB 3.23Å; N560-E563 PolarHBondContact OD1-N 2.78Å; E563-L565 VanDerWaalsContact C-N 3.33Å; E563-L565 PolarHBondContact O-N 3.45Å; E563-K566 WeakPolarHBondContact O-CB 3.42Å; E563-K566 PolarHBondContact O-N 3.48Å; E563-K566 IonicContact OE1-NZ 2.74Å; E563-K566 WeakPolarHBondContact OE2-CD 3.32Å; E563-K566 IonicContact OE2-NZ 3.57Å; E563-K566 PolarHBondContact OE2-NZ 2.69Å; E563-L567 WeakPolarHBondContact O-CG 3.26Å; E563-L567 PolarHBondContact O-N 3.46Å; E563-R570 IonicContact OE1-CZ 3.39Å; E563-R570 IonicContact OE1-NH2 3.68Å; E563-R570 PolarHBondContact OE1-NH2 2.93Å
564M94.9Very high93.7Very high9 Ų953.3 Ų53.34%0.04424%0.238CC..Hα-helixtrans-57.7-45.6173.7-68.2-178.776.500111.7A126 L127 L443 C444 N560 L561 L567 K568A126-M564 HydrophobicContact CB-CE 3.83Å; A126-M564 HydrophobicContact CB-SD 3.96Å; L127-M564 HydrophobicContact CD1-CE 4.22Å; L127-M564 HydrophobicContact CG-CE 4.26Å; L443-M564 HydrophobicContact CD2-CE 4.09Å; L443-M564 HydrophobicContact CD2-SD 4.44Å; C444-M564 HydrophobicContact CB-CG 3.67Å; N560-M564 WeakPolarHBondContact O-CG 3.41Å; N560-M564 PolarHBondContact O-N 2.88Å; N560-M564 VanDerWaalsContact O-N 3.11Å; L561-M564 HydrophobicContact CD2-SD 4.49Å; L561-M564 PolarHBondContact O-N 2.82Å; M564-L567 PolarHBondContact O-N 3.33Å; M564-K568 PolarHBondContact O-N 2.92Å; M564-K568 VanDerWaalsContact O-N 3.07Å
565L93.3Very high93.7Very high5 Ų553 Ų533%0.02624%0.236CC..Hα-helixtrans-69.2-35.9178-68.6171.8000112.1L55 Q56 L127 L561 E562 E563 L567 K568 R569L55-L565 HydrophobicContact CB-CD1 4.22Å; L55-L565 HydrophobicContact CD2-CD1 3.48Å; L55-L565 VanDerWaalsContact CD2-CD1 3.48Å; L55-L565 HydrophobicContact CG-CD1 3.84Å; Q56-L565 HydrophobicContact CG-CD1 4.04Å; Q56-L565 HydrophobicContact CG-CD2 3.47Å; Q56-L565 VanDerWaalsContact CG-CD2 3.47Å; Q56-L565 HydrophobicContact CG-CG 4.42Å; L127-L565 HydrophobicContact CD1-CD2 4.46Å; L127-L565 HydrophobicContact CD2-CD2 3.94Å; L127-L565 HydrophobicContact CD2-CG 4.1Å; L561-L565 WeakPolarHBondContact O-CG 3.48Å; L561-L565 PolarHBondContact O-N 3.27Å; E562-L565 PolarHBondContact O-N 2.81Å; E563-L565 VanDerWaalsContact C-N 3.33Å; E563-L565 PolarHBondContact O-N 3.45Å; L565-L567 VanDerWaalsContact C-N 3.34Å; L565-L567 PolarHBondContact O-N 3.18Å; L565-K568 PolarHBondContact O-N 2.92Å; L565-R569 WeakPolarHBondContact O-CG 3.48Å; L565-R569 PolarHBondContact O-N 3.32Å
566K94.6Very high93.5Very high86 Ų8654.5 Ų54.537%0.37424%0.244SC..Hα-helixtrans-61.8-39.7171.9-173.8-177.5169.8-162.40112.3E562 E563 R569 R570E562-K566 WeakPolarHBondContact O-CB 3.31Å; E562-K566 PolarHBondContact O-N 3.46Å; E563-K566 WeakPolarHBondContact O-CB 3.42Å; E563-K566 PolarHBondContact O-N 3.48Å; E563-K566 IonicContact OE1-NZ 2.74Å; E563-K566 WeakPolarHBondContact OE2-CD 3.32Å; E563-K566 IonicContact OE2-NZ 3.57Å; E563-K566 PolarHBondContact OE2-NZ 2.69Å; K566-R569 PolarHBondContact O-N 3.19Å; K566-R570 WeakPolarHBondContact O-CG 3.37Å; K566-R570 PolarHBondContact O-N 3.24Å
567L95.1Very high93.5Very high38 Ų3857.8 Ų57.820%0.19927%0.265CS..Hα-helixtrans-65.6-43.5174.3-68.6171.2000111.6C444 F453 E563 M564 L565 R569 R570 L571C444-L567 WeakPolarHBondContact SG-CD1 3.43Å; F453-L567 HydrophobicContact CE1-CD1 3.95Å; E563-L567 WeakPolarHBondContact O-CG 3.26Å; E563-L567 PolarHBondContact O-N 3.46Å; M564-L567 PolarHBondContact O-N 3.33Å; L565-L567 VanDerWaalsContact C-N 3.34Å; L565-L567 PolarHBondContact O-N 3.18Å; L567-R569 VanDerWaalsContact C-N 3.34Å; L567-R569 PolarHBondContact O-N 3.41Å; L567-R570 PolarHBondContact O-N 3.37Å; L567-L571 WeakPolarHBondContact O-CB 3.3Å; L567-L571 PolarHBondContact O-N 3.29Å
568K94.1Very high93.5Very high37 Ų3756.5 Ų56.516%0.16126%0.259CS..Hα-helixtrans-59.5-42173.5-73.1-168.4172.8-167.70112.2L127 Y408 M564 L565 L571 H572L127-K568 HydrophobicContact CD1-CD 4Å; L127-K568 VanDerWaalsContact CD1-CE 3.42Å; Y408-K568 HydrophobicContact CD1-CD 3.8Å; Y408-K568 HydrophobicContact CD1-CG 3.89Å; Y408-K568 HydrophobicContact CE1-CD 3.83Å; Y408-K568 HydrophobicContact CE1-CG 4.34Å; Y408-K568 HydrophobicContact CG-CD 4.32Å; Y408-K568 HydrophobicContact CG-CG 4.45Å; M564-K568 PolarHBondContact O-N 2.92Å; M564-K568 VanDerWaalsContact O-N 3.07Å; L565-K568 PolarHBondContact O-N 2.92Å; K568-L571 PolarHBondContact O-N 2.81Å; K568-H572 WeakPolarHBondContact O-CB 3.07Å; K568-H572 PolarHBondContact O-N 3.14Å
569R93.2Very high93.2Very high106 Ų10655 Ų5540%0.426%0.259SS..Hα-helixtrans-62.2-44.2174.6-76.7-172.8-69.2-162.59.4112.8E59 L565 K566 L567 L571 H572 H573E59-R569 VanDerWaalsContact OE1-CD 3.22Å; E59-R569 WeakPolarHBondContact OE1-CD 3.22Å; E59-R569 IonicContact OE1-CZ 3.75Å; E59-R569 VanDerWaalsContact OE1-CZ 3.28Å; E59-R569 IonicContact OE1-NE 3.15Å; E59-R569 PolarHBondContact OE1-NE 3.42Å; E59-R569 IonicContact OE1-NH1 3.04Å; E59-R569 PolarHBondContact OE1-NH1 3.06Å; L565-R569 WeakPolarHBondContact O-CG 3.48Å; L565-R569 PolarHBondContact O-N 3.32Å; K566-R569 PolarHBondContact O-N 3.19Å; L567-R569 VanDerWaalsContact C-N 3.34Å; L567-R569 PolarHBondContact O-N 3.41Å; R569-L571 VanDerWaalsContact C-N 3.34Å; R569-H572 PolarHBondContact O-N 3.44Å; R569-H573 WeakPolarHBondContact O-CB 3.41Å; R569-H573 PolarHBondContact O-N 3.27Å
570R94.9Very high92.8Very high113 Ų11357.1 Ų57.143%0.42629%0.288SS..Hα-helixtrans-60.6-45175.3-74.2-172.5-116.5-174.71.4111.1E563 K566 L567 H573 D574E563-R570 IonicContact OE1-CZ 3.39Å; E563-R570 IonicContact OE1-NH2 3.68Å; E563-R570 PolarHBondContact OE1-NH2 2.93Å; K566-R570 WeakPolarHBondContact O-CG 3.37Å; K566-R570 PolarHBondContact O-N 3.24Å; L567-R570 PolarHBondContact O-N 3.37Å; R570-H573 PolarHBondContact O-N 2.88Å; R570-D574 VanDerWaalsContact O-CG 3.26Å; R570-D574 PolarHBondContact O-N 3.04Å
571L95.1Very high92Very high10 Ų1062.3 Ų62.35%0.05231%0.313CS..Hα-helixtrans-62.4-44.3177-173.358.5000112.2Y391 V393 Y408 R410 L567 K568 R569 H573 D574 I575Y391-L571 WeakPolarHBondContact O-CD2 3.43Å; V393-L571 HydrophobicContact CB-CD1 4.42Å; V393-L571 HydrophobicContact CG2-CD1 3.73Å; Y408-L571 WeakPolarHBondContact O-CD2 3.43Å; R410-L571 HydrophobicContact CG-CD1 3.93Å; L567-L571 WeakPolarHBondContact O-CB 3.3Å; L567-L571 PolarHBondContact O-N 3.29Å; K568-L571 PolarHBondContact O-N 2.81Å; R569-L571 VanDerWaalsContact C-N 3.34Å; L571-H573 VanDerWaalsContact C-N 3.35Å; L571-H573 PolarHBondContact O-N 3.31Å; L571-D574 PolarHBondContact O-N 3.18Å; L571-I575 HydrophobicContact CD1-CD1 4.22Å; L571-I575 HydrophobicContact CD1-CG1 4.49Å; L571-I575 HydrophobicContact CG-CD1 3.94Å; L571-I575 WeakPolarHBondContact O-CD1 3.28Å; L571-I575 VanDerWaalsContact O-CG1 3.24Å; L571-I575 WeakPolarHBondContact O-CG1 3.21Å; L571-I575 PolarHBondContact O-N 2.84Å
572H93.7Very high92.1Very high41 Ų4164.5 Ų64.519%0.1932%0.324CS..Hα-helixtrans-58.8-44.5174.2179.2-63.5000112.3F376 K568 R569 I575 N576F376-H572 HydrophobicContact CE1-CB 4.28Å; F376-H572 AromaticContact CE1-CD2 3.64Å; F376-H572 AromaticContact CE1-CG 3.88Å; F376-H572 AromaticContact CZ-CD2 3.61Å; F376-H572 AromaticContact CZ-CE1 3.86Å; F376-H572 AromaticContact CZ-CG 3.83Å; F376-H572 AromaticContact CZ-ND1 3.98Å; F376-H572 AromaticContact CZ-NE2 3.65Å; K568-H572 WeakPolarHBondContact O-CB 3.07Å; K568-H572 PolarHBondContact O-N 3.14Å; R569-H572 PolarHBondContact O-N 3.44Å; H572-I575 PolarHBondContact O-N 3.11Å; H572-N576 PolarHBondContact CE1-ND2 2.92Å; H572-N576 PolarHBondContact ND1-ND2 3.17Å; H572-N576 PolarHBondContact O-N 2.71Å
573H93.9Very high92.1Very high116 Ų11660.6 Ų60.654%0.53731%0.307SS..Hα-helixtrans-61.1-47.9176.4178.469.6000111.6R569 R570 L571 I575 N576 V577R569-H573 WeakPolarHBondContact O-CB 3.41Å; R569-H573 PolarHBondContact O-N 3.27Å; R570-H573 PolarHBondContact O-N 2.88Å; L571-H573 VanDerWaalsContact C-N 3.35Å; L571-H573 PolarHBondContact O-N 3.31Å; H573-I575 VanDerWaalsContact C-N 3.32Å; H573-I575 PolarHBondContact O-N 3.15Å; H573-N576 PolarHBondContact O-N 3.2Å; H573-V577 WeakPolarHBondContact O-CG2 3.43Å; H573-V577 PolarHBondContact O-N 3.45Å
574D94.6Very high92Very high49 Ų4962.8 Ų62.826%0.26232%0.319SS..Hα-helixtrans-62.5-39.2-179.5-69.74.3000112R410 R570 L571 V577 Q578R410-D574 IonicContact CZ-OD2 3.95Å; R410-D574 IonicContact NH1-OD2 2.64Å; R410-D574 PolarHBondContact NH1-OD2 3.44Å; R410-D574 IonicContact NH2-OD2 2.62Å; R410-D574 PolarHBondContact NH2-OD2 3.23Å; R570-D574 VanDerWaalsContact O-CG 3.26Å; R570-D574 PolarHBondContact O-N 3.04Å; L571-D574 PolarHBondContact O-N 3.18Å; D574-V577 PolarHBondContact O-N 2.89Å; D574-Q578 WeakPolarHBondContact O-CB 3.25Å; D574-Q578 VanDerWaalsContact O-CG 3.31Å; D574-Q578 WeakPolarHBondContact O-CG 3.16Å; D574-Q578 PolarHBondContact O-N 3.41Å
575I94.4Very high91.8Very high0 Ų066 Ų660%034%0.335CS..Hα-helixtrans-61.8-48.6174.6-69.7162.9000110.4F376 V378 Y391 V393 L571 H572 H573 V577 Q578 L579F376-I575 HydrophobicContact CD1-CD1 4.09Å; F376-I575 HydrophobicContact CD1-CG2 3.91Å; F376-I575 HydrophobicContact CD2-CG2 4.28Å; F376-I575 HydrophobicContact CE1-CB 4.04Å; F376-I575 HydrophobicContact CE1-CD1 4.05Å; F376-I575 HydrophobicContact CE1-CG2 3.76Å; F376-I575 HydrophobicContact CE2-CG2 4.12Å; F376-I575 HydrophobicContact CG-CG2 4.19Å; F376-I575 HydrophobicContact CZ-CB 4.28Å; F376-I575 HydrophobicContact CZ-CG2 3.87Å; V378-I575 HydrophobicContact CG2-CB 4.3Å; V378-I575 HydrophobicContact CG2-CG1 4.15Å; V378-I575 HydrophobicContact CG2-CG2 4.17Å; Y391-I575 VanDerWaalsContact C-CD1 3.48Å; V393-I575 HydrophobicContact CG2-CD1 4.38Å; V393-I575 HydrophobicContact CG2-CG1 3.61Å; L571-I575 HydrophobicContact CD1-CD1 4.22Å; L571-I575 HydrophobicContact CD1-CG1 4.49Å; L571-I575 HydrophobicContact CG-CD1 3.94Å; L571-I575 WeakPolarHBondContact O-CD1 3.28Å; L571-I575 VanDerWaalsContact O-CG1 3.24Å; L571-I575 WeakPolarHBondContact O-CG1 3.21Å; L571-I575 PolarHBondContact O-N 2.84Å; H572-I575 PolarHBondContact O-N 3.11Å; H573-I575 VanDerWaalsContact C-N 3.32Å; H573-I575 PolarHBondContact O-N 3.15Å; I575-V577 PolarHBondContact O-N 3.03Å; I575-Q578 PolarHBondContact O-N 2.97Å; I575-L579 HydrophobicContact CG2-CD1 3.57Å; I575-L579 HydrophobicContact CG2-CG 4.21Å; I575-L579 WeakPolarHBondContact O-CB 3.46Å; I575-L579 VanDerWaalsContact O-CG 3.29Å; I575-L579 WeakPolarHBondContact O-CG 3.48Å; I575-L579 PolarHBondContact O-N 3.44Å
576N92.6Very high91.7Very high33 Ų3369.8 Ų69.818%0.17635%0.354CS..Hα-helixtrans-59.5-44.8177.4-80.8-8.7000112.3F376 H572 H573 Q578 L579 G580 M581F376-N576 WeakPolarHBondContact CE2-OD1 3.28Å; F376-N576 VanDerWaalsContact CZ-OD1 3.25Å; F376-N576 WeakPolarHBondContact CZ-OD1 3.45Å; H572-N576 PolarHBondContact CE1-ND2 2.92Å; H572-N576 PolarHBondContact ND1-ND2 3.17Å; H572-N576 PolarHBondContact O-N 2.71Å; H573-N576 PolarHBondContact O-N 3.2Å; N576-Q578 VanDerWaalsContact C-N 3.32Å; N576-Q578 PolarHBondContact O-N 3.15Å; N576-L579 PolarHBondContact O-N 2.77Å; N576-G580 PolarHBondContact O-N 3.43Å; N576-M581 HydrophobicContact CB-CB 4.28Å; N576-M581 PolarHBondContact O-N 2.65Å
577V92.9Very high91.5Very high92 Ų9268.7 Ų68.756%0.55835%0.353SS*.Hα-helixtrans-60.8-43.1178.8170.10000111H573 D574 I575 G580H573-V577 WeakPolarHBondContact O-CG2 3.43Å; H573-V577 PolarHBondContact O-N 3.45Å; D574-V577 PolarHBondContact O-N 2.89Å; I575-V577 PolarHBondContact O-N 3.03Å; V577-G580 PolarHBondContact O-N 3.4Å
578Q90.4Very high91.3Very high103 Ų10370.9 Ų70.948%0.48136%0.364SS..Hα-helixtrans-74.7-29-179.5-69.8-178.234.500113.2V378 D574 I575 N576V378-Q578 HydrophobicContact CG1-CB 4.08Å; V378-Q578 VanDerWaalsContact CG1-OE1 3.29Å; V378-Q578 HydrophobicContact CG2-CB 3.81Å; D574-Q578 WeakPolarHBondContact O-CB 3.25Å; D574-Q578 VanDerWaalsContact O-CG 3.31Å; D574-Q578 WeakPolarHBondContact O-CG 3.16Å; D574-Q578 PolarHBondContact O-N 3.41Å; I575-Q578 PolarHBondContact O-N 2.97Å; N576-Q578 VanDerWaalsContact C-N 3.32Å; N576-Q578 PolarHBondContact O-N 3.15Å
579L87.5Confident91.1Very high79 Ų7973.5 Ų73.541%0.41438%0.379SS..Hα-helixtrans-84.9-9.5174.3-65.3178.3000113.5V378 I575 N576 M581V378-L579 HydrophobicContact CG2-CD2 4.36Å; V378-L579 HydrophobicContact CG2-CG 4.21Å; I575-L579 HydrophobicContact CG2-CD1 3.57Å; I575-L579 HydrophobicContact CG2-CG 4.21Å; I575-L579 WeakPolarHBondContact O-CB 3.46Å; I575-L579 VanDerWaalsContact O-CG 3.29Å; I575-L579 WeakPolarHBondContact O-CG 3.48Å; I575-L579 PolarHBondContact O-N 3.44Å; N576-L579 PolarHBondContact O-N 2.77Å; L579-M581 HydrophobicContact CB-CG 4.06Å; L579-M581 HydrophobicContact CB-SD 4.22Å; L579-M581 HydrophobicContact CD1-SD 4.14Å
580G84.6Confident90.9Very high71 Ų7170.8 Ų70.873%0.73238%0.378SS*.THydrogen-bonded Turntrans70.732.8-177.500000114.2N576 V577N576-G580 PolarHBondContact O-N 3.43Å; V577-G580 PolarHBondContact O-N 3.4Å
581M76.3Confident90.5Very high143 Ų14367 Ų6770%0.70437%0.373SS*.  trans-96.10-177.5-69.3-179.258.100114.3N576 L579N576-M581 HydrophobicContact CB-CB 4.28Å; N576-M581 PolarHBondContact O-N 2.65Å; L579-M581 HydrophobicContact CB-CG 4.06Å; L579-M581 HydrophobicContact CB-SD 4.22Å; L579-M581 HydrophobicContact CD1-SD 4.14Å

Retrieved 581 of 581 residues in 162.5 ms (Link to these results)

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